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_C 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 0.000 177.621 177.584 0.062 0.000 1.274 0 A CA 0.000 52.074 52.037 0.062 0.000 0.836 0 A CB 0.000 19.050 19.000 0.083 0.000 0.831 1 M N 0.448 120.088 119.600 0.066 0.000 2.200 1 M HA 0.030 4.511 4.480 0.001 0.000 0.265 1 M C 0.873 177.226 176.300 0.088 0.000 1.066 1 M CA 1.165 56.505 55.300 0.067 0.000 1.127 1 M CB -1.032 31.606 32.600 0.064 0.000 1.379 1 M HN 0.676 nan 8.290 nan 0.000 0.420 2 L N 2.524 123.815 121.223 0.113 0.000 2.418 2 L HA 0.125 4.466 4.340 0.001 0.000 0.274 2 L C 0.136 177.063 176.870 0.095 0.000 1.135 2 L CA 0.249 55.167 54.840 0.130 0.000 0.870 2 L CB 0.130 42.299 42.059 0.182 0.000 1.154 2 L HN -0.063 nan 8.230 nan 0.000 0.462 3 K N 3.703 124.143 120.400 0.068 0.000 2.132 3 K HA 0.405 4.726 4.320 0.001 0.000 0.241 3 K C -0.389 176.222 176.600 0.019 0.000 1.000 3 K CA -0.539 55.774 56.287 0.043 0.000 0.911 3 K CB 0.666 33.186 32.500 0.034 0.000 1.093 3 K HN 0.488 nan 8.250 nan 0.000 0.460 4 N N 1.130 119.833 118.700 0.005 0.000 2.660 4 N HA 0.273 5.014 4.740 0.001 0.000 0.316 4 N C -0.597 174.897 175.510 -0.027 0.000 1.774 4 N CA -0.189 52.845 53.050 -0.026 0.000 0.946 4 N CB 0.063 38.538 38.487 -0.021 0.000 1.322 4 N HN 0.388 nan 8.380 nan 0.000 0.492 5 I N 0.740 121.295 120.570 -0.027 0.000 2.471 5 I HA 0.035 4.206 4.170 0.001 0.000 0.286 5 I C 0.846 176.924 176.117 -0.065 0.000 1.079 5 I CA -0.429 60.850 61.300 -0.033 0.000 1.398 5 I CB 0.441 38.429 38.000 -0.020 0.000 1.403 5 I HN 0.080 nan 8.210 nan 0.000 0.530 6 N N 10.107 128.761 118.700 -0.077 0.000 2.416 6 N HA 0.080 4.821 4.740 0.001 0.000 0.265 6 N C -1.503 173.851 175.510 -0.260 0.000 1.195 6 N CA -1.890 51.081 53.050 -0.132 0.000 0.943 6 N CB 1.098 39.532 38.487 -0.088 0.000 1.115 6 N HN 0.324 nan 8.380 nan 0.000 0.481 7 P HA -0.127 nan 4.420 nan 0.000 0.220 7 P C 0.967 177.803 177.300 -0.772 0.000 1.148 7 P CA 1.339 64.138 63.100 -0.503 0.000 0.803 7 P CB -0.078 31.244 31.700 -0.629 0.000 0.782 8 T N -3.694 110.213 114.554 -1.078 0.000 3.035 8 T HA -0.054 4.297 4.350 0.001 0.000 0.268 8 T C 1.481 175.965 174.700 -0.361 0.000 1.109 8 T CA 0.778 62.224 62.100 -1.090 0.000 1.119 8 T CB -0.601 67.814 68.868 -0.756 0.000 0.900 8 T HN 0.031 nan 8.240 nan 0.000 0.503 9 Q N 2.253 121.918 119.800 -0.226 0.000 2.204 9 Q HA 0.202 4.543 4.340 0.001 0.000 0.209 9 Q C 0.710 176.701 176.000 -0.016 0.000 0.861 9 Q CA 0.117 55.876 55.803 -0.075 0.000 0.971 9 Q CB 0.343 29.044 28.738 -0.062 0.000 1.095 9 Q HN 0.809 nan 8.270 nan 0.000 0.486 10 T N -3.294 111.266 114.554 0.010 0.000 2.922 10 T HA 0.265 4.616 4.350 0.001 0.000 0.285 10 T C 1.160 175.932 174.700 0.120 0.000 1.005 10 T CA -0.528 61.614 62.100 0.070 0.000 1.061 10 T CB 1.698 70.623 68.868 0.096 0.000 1.007 10 T HN 0.017 nan 8.240 nan 0.000 0.502 11 Q N 0.824 120.678 119.800 0.090 0.000 2.124 11 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 11 Q C 2.607 178.658 176.000 0.084 0.000 0.977 11 Q CA 1.411 57.262 55.803 0.080 0.000 0.850 11 Q CB -0.469 28.302 28.738 0.056 0.000 0.901 11 Q HN 0.933 nan 8.270 nan 0.000 0.429 12 A N 0.830 123.714 122.820 0.106 0.000 1.902 12 A HA -0.199 4.122 4.320 0.001 0.000 0.217 12 A C 1.732 179.382 177.584 0.110 0.000 1.181 12 A CA 0.999 53.089 52.037 0.088 0.000 0.623 12 A CB -1.007 18.065 19.000 0.120 0.000 0.818 12 A HN 0.654 nan 8.150 nan 0.000 0.443 13 W N 1.013 122.334 121.300 0.034 0.000 2.381 13 W HA -0.131 4.529 4.660 0.001 0.000 0.301 13 W C 1.796 178.385 176.519 0.117 0.000 1.205 13 W CA 1.910 59.331 57.345 0.127 0.000 1.285 13 W CB -0.229 29.310 29.460 0.131 0.000 1.133 13 W HN 0.358 nan 8.180 nan 0.000 0.521 14 K N 0.140 120.727 120.400 0.311 0.000 2.097 14 K HA -0.142 4.178 4.320 0.001 0.000 0.206 14 K C 2.278 178.897 176.600 0.032 0.000 1.049 14 K CA 1.627 58.027 56.287 0.188 0.000 0.933 14 K CB -0.499 32.086 32.500 0.143 0.000 0.717 14 K HN 0.045 nan 8.250 nan 0.000 0.442 15 A N 1.297 124.057 122.820 -0.100 0.000 1.930 15 A HA -0.107 4.214 4.320 0.001 0.000 0.217 15 A C 2.107 179.436 177.584 -0.425 0.000 1.175 15 A CA 1.148 52.965 52.037 -0.366 0.000 0.627 15 A CB -0.550 18.046 19.000 -0.674 0.000 0.815 15 A HN 0.145 nan 8.150 nan 0.000 0.443 16 L N -0.763 120.243 121.223 -0.362 0.000 2.046 16 L HA -0.159 4.182 4.340 0.001 0.000 0.208 16 L C 2.800 179.566 176.870 -0.172 0.000 1.077 16 L CA 1.722 56.323 54.840 -0.398 0.000 0.747 16 L CB -0.805 40.701 42.059 -0.922 0.000 0.896 16 L HN 0.336 nan 8.230 nan 0.000 0.432 17 T N -0.162 114.400 114.554 0.014 0.000 2.684 17 T HA -0.211 4.140 4.350 0.001 0.000 0.267 17 T C 2.006 176.826 174.700 0.200 0.000 1.036 17 T CA 1.441 63.682 62.100 0.235 0.000 1.148 17 T CB -0.280 68.736 68.868 0.247 0.000 0.863 17 T HN 0.458 nan 8.240 nan 0.000 0.436 18 A N 1.043 123.934 122.820 0.118 0.000 1.902 18 A HA -0.182 4.139 4.320 0.001 0.000 0.217 18 A C 2.054 179.733 177.584 0.159 0.000 1.181 18 A CA 2.270 54.373 52.037 0.111 0.000 0.623 18 A CB -0.937 18.098 19.000 0.059 0.000 0.818 18 A HN 0.657 nan 8.150 nan 0.000 0.443 19 H N -1.553 117.555 119.070 0.064 0.000 2.353 19 H HA -0.129 4.428 4.556 0.001 0.000 0.300 19 H C 1.646 177.114 175.328 0.232 0.000 1.090 19 H CA 1.936 58.062 56.048 0.130 0.000 1.327 19 H CB -0.506 29.331 29.762 0.124 0.000 1.383 19 H HN 0.431 nan 8.280 nan 0.000 0.508 20 F N 1.385 121.388 119.950 0.089 0.000 2.134 20 F HA -0.128 4.400 4.527 0.001 0.000 0.299 20 F C 2.574 178.335 175.800 -0.065 0.000 1.097 20 F CA 1.984 59.969 58.000 -0.025 0.000 1.264 20 F CB -0.344 38.597 39.000 -0.100 0.000 1.001 20 F HN 0.367 nan 8.300 nan 0.000 0.479 21 E N -0.240 119.988 120.200 0.047 0.000 2.085 21 E HA -0.225 4.126 4.350 0.001 0.000 0.194 21 E C 2.006 178.538 176.600 -0.113 0.000 0.994 21 E CA 1.664 58.044 56.400 -0.034 0.000 0.801 21 E CB -0.201 29.540 29.700 0.068 0.000 0.743 21 E HN 0.498 nan 8.360 nan 0.000 0.453 22 S N -1.155 114.506 115.700 -0.064 0.000 2.524 22 S HA 0.289 4.760 4.470 0.001 0.000 0.216 22 S C 1.216 175.768 174.600 -0.079 0.000 0.987 22 S CA 0.196 58.370 58.200 -0.043 0.000 0.909 22 S CB 1.169 64.388 63.200 0.033 0.000 0.781 22 S HN 0.305 nan 8.310 nan 0.000 0.521 23 A N 1.303 124.016 122.820 -0.179 0.000 2.661 23 A HA 0.294 4.615 4.320 0.001 0.000 0.278 23 A C 1.684 179.132 177.584 -0.227 0.000 1.090 23 A CA 0.069 52.003 52.037 -0.172 0.000 0.969 23 A CB -0.142 18.746 19.000 -0.187 0.000 1.240 23 A HN 0.510 nan 8.150 nan 0.000 0.578 24 Q N -0.016 119.504 119.800 -0.466 0.000 2.297 24 Q HA -0.162 4.179 4.340 0.001 0.000 0.208 24 Q C -0.159 175.716 176.000 -0.207 0.000 0.981 24 Q CA 1.501 56.914 55.803 -0.649 0.000 0.876 24 Q CB -0.376 27.532 28.738 -1.384 0.000 0.921 24 Q HN 0.374 nan 8.270 nan 0.000 0.446 25 D N 0.587 120.909 120.400 -0.131 0.000 2.325 25 D HA 0.159 4.800 4.640 0.001 0.000 0.225 25 D C -0.004 176.315 176.300 0.031 0.000 1.096 25 D CA 0.054 54.038 54.000 -0.028 0.000 0.844 25 D CB -0.043 40.736 40.800 -0.036 0.000 0.925 25 D HN 0.332 nan 8.370 nan 0.000 0.513 26 M N 0.864 120.498 119.600 0.057 0.000 2.255 26 M HA -0.101 4.380 4.480 0.001 0.000 0.356 26 M C 0.206 176.572 176.300 0.110 0.000 1.338 26 M CA 0.875 56.231 55.300 0.094 0.000 0.962 26 M CB 0.241 32.927 32.600 0.142 0.000 1.877 26 M HN -0.172 nan 8.290 nan 0.000 0.463 27 D N 2.153 122.615 120.400 0.103 0.000 2.391 27 D HA 0.329 4.969 4.640 0.001 0.000 0.245 27 D C 0.506 176.904 176.300 0.163 0.000 1.069 27 D CA -0.517 53.555 54.000 0.120 0.000 0.831 27 D CB 1.176 42.039 40.800 0.106 0.000 1.204 27 D HN 0.549 nan 8.370 nan 0.000 0.503 28 L N 3.264 124.602 121.223 0.191 0.000 2.083 28 L HA -0.094 4.247 4.340 0.001 0.000 0.209 28 L C 2.355 179.553 176.870 0.547 0.000 1.083 28 L CA 0.982 56.013 54.840 0.318 0.000 0.752 28 L CB -0.256 41.886 42.059 0.138 0.000 0.899 28 L HN 0.547 nan 8.230 nan 0.000 0.433 29 K N 0.128 120.808 120.400 0.466 0.000 2.063 29 K HA -0.214 4.107 4.320 0.001 0.000 0.208 29 K C 2.128 178.867 176.600 0.230 0.000 1.048 29 K CA 1.457 57.968 56.287 0.372 0.000 0.928 29 K CB -0.099 32.543 32.500 0.235 0.000 0.713 29 K HN 0.296 nan 8.250 nan 0.000 0.442 30 A N 1.068 123.997 122.820 0.181 0.000 1.898 30 A HA -0.110 4.211 4.320 0.001 0.000 0.216 30 A C 2.091 179.741 177.584 0.110 0.000 1.181 30 A CA 1.188 53.294 52.037 0.115 0.000 0.620 30 A CB -0.574 18.477 19.000 0.086 0.000 0.819 30 A HN 0.294 nan 8.150 nan 0.000 0.442 31 L N -2.093 119.206 121.223 0.128 0.000 2.042 31 L HA -0.189 4.152 4.340 0.001 0.000 0.210 31 L C 2.488 179.330 176.870 -0.046 0.000 1.076 31 L CA 1.454 56.302 54.840 0.014 0.000 0.749 31 L CB -0.551 41.480 42.059 -0.047 0.000 0.893 31 L HN 0.400 nan 8.230 nan 0.000 0.432 32 F N -0.386 119.605 119.950 0.068 0.000 2.206 32 F HA -0.112 4.416 4.527 0.001 0.000 0.298 32 F C 2.582 178.377 175.800 -0.008 0.000 1.090 32 F CA 1.023 59.048 58.000 0.042 0.000 1.323 32 F CB -0.535 38.504 39.000 0.065 0.000 1.028 32 F HN -0.018 nan 8.300 nan 0.000 0.492 33 A N -0.444 122.462 122.820 0.143 0.000 1.933 33 A HA -0.220 4.100 4.320 0.001 0.000 0.218 33 A C 1.973 179.579 177.584 0.037 0.000 1.175 33 A CA 1.577 53.649 52.037 0.058 0.000 0.628 33 A CB -0.651 18.370 19.000 0.035 0.000 0.814 33 A HN 0.477 nan 8.150 nan 0.000 0.444 34 Q N -1.378 118.440 119.800 0.030 0.000 2.425 34 Q HA 0.053 4.394 4.340 0.001 0.000 0.204 34 Q C -0.631 175.370 176.000 0.001 0.000 0.933 34 Q CA 0.419 56.230 55.803 0.013 0.000 0.939 34 Q CB 0.426 29.171 28.738 0.011 0.000 1.044 34 Q HN 0.507 nan 8.270 nan 0.000 0.513 35 D N -0.688 119.707 120.400 -0.008 0.000 2.375 35 D HA 0.046 4.687 4.640 0.001 0.000 0.241 35 D C 0.394 176.696 176.300 0.003 0.000 1.361 35 D CA -0.168 53.825 54.000 -0.013 0.000 0.995 35 D CB 1.095 41.874 40.800 -0.034 0.000 1.312 35 D HN -0.013 nan 8.370 nan 0.000 0.576 36 S N 2.439 118.154 115.700 0.026 0.000 2.469 36 S HA -0.111 4.360 4.470 0.001 0.000 0.238 36 S C 0.921 175.563 174.600 0.070 0.000 0.998 36 S CA 0.693 58.923 58.200 0.050 0.000 0.957 36 S CB -0.092 63.130 63.200 0.037 0.000 0.764 36 S HN 0.544 nan 8.310 nan 0.000 0.514 37 E N 0.546 120.777 120.200 0.051 0.000 2.444 37 E HA 0.193 4.544 4.350 0.001 0.000 0.191 37 E C 1.701 178.343 176.600 0.069 0.000 1.041 37 E CA -0.375 56.064 56.400 0.065 0.000 0.883 37 E CB 0.070 29.791 29.700 0.036 0.000 1.024 37 E HN 0.527 nan 8.360 nan 0.000 0.470 38 R N 0.633 121.151 120.500 0.029 0.000 2.083 38 R HA -0.199 4.142 4.340 0.001 0.000 0.237 38 R C 2.042 178.388 176.300 0.076 0.000 1.137 38 R CA 1.516 57.587 56.100 -0.049 0.000 0.951 38 R CB -0.253 29.747 30.300 -0.500 0.000 0.851 38 R HN 0.232 nan 8.270 nan 0.000 0.434 39 F N 1.023 120.999 119.950 0.044 0.000 2.095 39 F HA -0.174 4.354 4.527 0.001 0.000 0.298 39 F C 2.062 177.886 175.800 0.040 0.000 1.104 39 F CA 1.675 59.731 58.000 0.094 0.000 1.232 39 F CB -0.608 38.480 39.000 0.146 0.000 0.987 39 F HN 0.126 nan 8.300 nan 0.000 0.475 40 A N 0.245 123.040 122.820 -0.043 0.000 1.933 40 A HA -0.209 4.111 4.320 0.001 0.000 0.218 40 A C 2.221 179.675 177.584 -0.217 0.000 1.175 40 A CA 1.957 53.889 52.037 -0.176 0.000 0.628 40 A CB -0.673 18.335 19.000 0.013 0.000 0.814 40 A HN 0.524 nan 8.150 nan 0.000 0.444 41 K N -2.145 118.179 120.400 -0.128 0.000 2.228 41 K HA -0.001 4.320 4.320 0.001 0.000 0.202 41 K C -0.176 176.181 176.600 -0.406 0.000 1.051 41 K CA 0.795 56.962 56.287 -0.199 0.000 0.960 41 K CB 0.012 32.438 32.500 -0.124 0.000 0.743 41 K HN 0.594 nan 8.250 nan 0.000 0.458 42 Y N 0.736 120.785 120.300 -0.419 0.000 2.722 42 Y HA 0.180 4.731 4.550 0.001 0.000 0.314 42 Y C -0.253 174.838 175.900 -1.349 0.000 1.008 42 Y CA -0.757 56.836 58.100 -0.846 0.000 1.294 42 Y CB 0.528 38.656 38.460 -0.553 0.000 1.231 42 Y HN -0.105 nan 8.280 nan 0.000 0.558 43 S N -0.223 115.014 115.700 -0.772 0.000 2.579 43 S HA 0.955 5.426 4.470 0.001 0.000 0.272 43 S C -0.933 173.601 174.600 -0.111 0.000 1.141 43 S CA -0.795 57.107 58.200 -0.497 0.000 0.843 43 S CB 2.170 64.924 63.200 -0.743 0.000 1.122 43 S HN 0.257 nan 8.310 nan 0.000 0.468 44 A N 1.684 124.562 122.820 0.098 0.000 2.475 44 A HA 0.880 5.200 4.320 0.001 0.000 0.301 44 A C -0.907 176.756 177.584 0.131 0.000 1.059 44 A CA -0.972 51.156 52.037 0.150 0.000 0.710 44 A CB 1.361 20.520 19.000 0.265 0.000 1.288 44 A HN 0.683 nan 8.150 nan 0.000 0.408 45 R N 0.695 121.263 120.500 0.112 0.000 2.460 45 R HA 0.487 4.828 4.340 0.001 0.000 0.303 45 R C -1.755 174.628 176.300 0.139 0.000 0.968 45 R CA -0.325 55.845 56.100 0.116 0.000 0.889 45 R CB 1.390 31.732 30.300 0.071 0.000 1.123 45 R HN 0.661 nan 8.270 nan 0.000 0.455 46 F N 1.700 121.645 119.950 -0.010 0.000 2.427 46 F HA 0.430 4.957 4.527 0.001 0.000 0.348 46 F C 0.794 176.580 175.800 -0.023 0.000 1.125 46 F CA 0.464 58.423 58.000 -0.067 0.000 0.989 46 F CB 1.083 39.993 39.000 -0.150 0.000 1.165 46 F HN 0.870 nan 8.300 nan 0.000 0.442 47 G N 5.321 113.735 108.800 -0.643 0.000 2.578 47 G HA2 -0.330 3.630 3.960 0.001 0.000 0.275 47 G HA3 -0.330 3.630 3.960 0.001 0.000 0.275 47 G C 0.395 175.213 174.900 -0.137 0.000 1.271 47 G CA 0.542 45.388 45.100 -0.424 0.000 0.941 47 G HN 0.716 nan 8.290 nan 0.000 0.564 48 Q N -0.298 119.462 119.800 -0.067 0.000 2.384 48 Q HA 0.152 4.493 4.340 0.001 0.000 0.207 48 Q C 0.835 176.858 176.000 0.038 0.000 0.904 48 Q CA 0.907 56.706 55.803 -0.007 0.000 0.933 48 Q CB 0.466 29.201 28.738 -0.005 0.000 1.077 48 Q HN 0.529 nan 8.270 nan 0.000 0.522 49 D N -0.306 120.134 120.400 0.066 0.000 2.469 49 D HA 0.246 4.887 4.640 0.001 0.000 0.213 49 D C -0.178 176.199 176.300 0.130 0.000 1.135 49 D CA 0.258 54.314 54.000 0.094 0.000 0.834 49 D CB 1.283 42.138 40.800 0.091 0.000 1.009 49 D HN 0.109 nan 8.370 nan 0.000 0.507 50 I N 1.268 121.938 120.570 0.167 0.000 2.533 50 I HA 0.276 4.447 4.170 0.001 0.000 0.290 50 I C -1.294 174.932 176.117 0.181 0.000 1.056 50 I CA -1.134 60.275 61.300 0.182 0.000 1.057 50 I CB 2.792 40.925 38.000 0.222 0.000 1.240 50 I HN -0.262 nan 8.210 nan 0.000 0.423 51 L N 7.967 129.298 121.223 0.179 0.000 2.333 51 L HA 0.624 4.965 4.340 0.001 0.000 0.280 51 L C -1.124 175.872 176.870 0.208 0.000 1.004 51 L CA -0.402 54.556 54.840 0.197 0.000 0.820 51 L CB 1.776 43.977 42.059 0.236 0.000 1.247 51 L HN 0.322 nan 8.230 nan 0.000 0.416 52 V N 4.502 124.536 119.914 0.201 0.000 2.313 52 V HA 0.361 4.482 4.120 0.001 0.000 0.278 52 V C -0.761 175.490 176.094 0.263 0.000 1.017 52 V CA -0.549 61.888 62.300 0.229 0.000 0.823 52 V CB 1.168 33.111 31.823 0.200 0.000 1.010 52 V HN 0.754 nan 8.190 nan 0.000 0.443 53 D N 4.257 124.819 120.400 0.270 0.000 2.412 53 D HA 0.244 4.885 4.640 0.001 0.000 0.224 53 D C 0.115 176.571 176.300 0.260 0.000 1.093 53 D CA -0.469 53.664 54.000 0.222 0.000 0.850 53 D CB 0.994 42.017 40.800 0.371 0.000 1.046 53 D HN 0.631 nan 8.370 nan 0.000 0.507 54 Y N 1.465 121.879 120.300 0.189 0.000 2.681 54 Y HA 0.238 4.789 4.550 0.001 0.000 0.267 54 Y C 1.518 177.548 175.900 0.218 0.000 1.166 54 Y CA -0.251 57.966 58.100 0.196 0.000 1.209 54 Y CB -0.313 38.255 38.460 0.179 0.000 1.161 54 Y HN 0.220 nan 8.280 nan 0.000 0.534 55 S N 0.297 116.049 115.700 0.088 0.000 2.461 55 S HA -0.029 4.442 4.470 0.001 0.000 0.228 55 S C 1.014 175.743 174.600 0.216 0.000 1.005 55 S CA 0.203 58.446 58.200 0.071 0.000 0.942 55 S CB -0.291 63.023 63.200 0.191 0.000 0.776 55 S HN 0.500 nan 8.310 nan 0.000 0.514 56 K N 2.023 122.579 120.400 0.261 0.000 2.911 56 K HA 0.278 4.598 4.320 0.001 0.000 0.239 56 K C -0.475 176.204 176.600 0.131 0.000 1.090 56 K CA -0.169 56.228 56.287 0.182 0.000 1.225 56 K CB -0.162 32.321 32.500 -0.028 0.000 1.087 56 K HN 0.351 nan 8.250 nan 0.000 0.464 57 N N 0.894 119.702 118.700 0.179 0.000 2.384 57 N HA 0.255 4.995 4.740 0.001 0.000 0.301 57 N C -0.072 175.572 175.510 0.225 0.000 1.133 57 N CA -0.543 52.664 53.050 0.262 0.000 0.853 57 N CB 1.520 40.206 38.487 0.332 0.000 1.241 57 N HN 0.049 nan 8.380 nan 0.000 0.502 58 L N 1.774 123.213 121.223 0.360 0.000 2.533 58 L HA 0.180 4.521 4.340 0.001 0.000 0.239 58 L C -0.028 177.064 176.870 0.369 0.000 1.376 58 L CA -0.401 54.650 54.840 0.351 0.000 1.240 58 L CB -0.801 41.507 42.059 0.414 0.000 1.487 58 L HN 0.180 nan 8.230 nan 0.000 0.419 59 V N -1.882 118.114 119.914 0.135 0.000 2.925 59 V HA 0.724 4.845 4.120 0.001 0.000 0.311 59 V C -0.668 175.401 176.094 -0.041 0.000 1.104 59 V CA -0.782 61.514 62.300 -0.007 0.000 0.954 59 V CB 2.081 33.867 31.823 -0.063 0.000 1.022 59 V HN 0.458 nan 8.190 nan 0.000 0.427 60 N N 2.912 121.612 118.700 -0.001 0.000 3.091 60 N HA 0.740 5.481 4.740 0.001 0.000 0.329 60 N C 0.867 176.418 175.510 0.068 0.000 1.430 60 N CA -0.277 52.790 53.050 0.029 0.000 0.755 60 N CB 1.228 39.735 38.487 0.033 0.000 1.626 60 N HN 0.885 nan 8.380 nan 0.000 0.614 61 A N -0.495 122.370 122.820 0.076 0.000 1.940 61 A HA -0.205 4.116 4.320 0.001 0.000 0.219 61 A C 1.882 179.369 177.584 -0.162 0.000 1.176 61 A CA 1.944 53.984 52.037 0.006 0.000 0.631 61 A CB -1.099 17.898 19.000 -0.005 0.000 0.814 61 A HN 0.869 nan 8.150 nan 0.000 0.446 62 E N -0.506 119.544 120.200 -0.250 0.000 2.047 62 E HA -0.160 4.190 4.350 0.001 0.000 0.191 62 E C 1.947 178.085 176.600 -0.771 0.000 0.987 62 E CA 1.713 57.785 56.400 -0.545 0.000 0.799 62 E CB -0.211 29.156 29.700 -0.555 0.000 0.752 62 E HN 0.580 nan 8.360 nan 0.000 0.449 63 T N 1.327 115.522 114.554 -0.597 0.000 2.684 63 T HA -0.186 4.165 4.350 0.001 0.000 0.267 63 T C 1.830 176.207 174.700 -0.539 0.000 1.036 63 T CA 1.606 63.337 62.100 -0.615 0.000 1.148 63 T CB -0.118 68.406 68.868 -0.573 0.000 0.863 63 T HN 0.176 nan 8.240 nan 0.000 0.436 64 M N 1.296 120.669 119.600 -0.379 0.000 2.117 64 M HA -0.059 4.422 4.480 0.001 0.000 0.262 64 M C 2.420 178.531 176.300 -0.315 0.000 1.065 64 M CA 1.273 56.340 55.300 -0.389 0.000 1.114 64 M CB -1.364 31.155 32.600 -0.135 0.000 1.361 64 M HN 0.366 nan 8.290 nan 0.000 0.408 65 Q N -0.173 119.483 119.800 -0.240 0.000 2.030 65 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 65 Q C 2.037 177.947 176.000 -0.151 0.000 0.986 65 Q CA 1.691 57.395 55.803 -0.164 0.000 0.843 65 Q CB -0.101 28.440 28.738 -0.328 0.000 0.904 65 Q HN 0.529 nan 8.270 nan 0.000 0.420 66 H N 0.183 119.124 119.070 -0.216 0.000 2.389 66 H HA -0.079 4.478 4.556 0.001 0.000 0.299 66 H C 2.234 177.445 175.328 -0.196 0.000 1.081 66 H CA 1.217 57.145 56.048 -0.201 0.000 1.345 66 H CB -0.254 29.339 29.762 -0.283 0.000 1.393 66 H HN 0.291 nan 8.280 nan 0.000 0.520 67 L N -0.417 120.677 121.223 -0.215 0.000 2.027 67 L HA -0.161 4.180 4.340 0.001 0.000 0.206 67 L C 2.337 179.086 176.870 -0.203 0.000 1.074 67 L CA 1.005 55.670 54.840 -0.291 0.000 0.745 67 L CB -0.465 41.289 42.059 -0.507 0.000 0.898 67 L HN 0.088 nan 8.230 nan 0.000 0.433 68 F N 0.047 119.976 119.950 -0.035 0.000 2.171 68 F HA -0.155 4.373 4.527 0.001 0.000 0.300 68 F C 2.590 178.433 175.800 0.073 0.000 1.090 68 F CA 0.932 58.950 58.000 0.030 0.000 1.293 68 F CB -1.113 37.911 39.000 0.040 0.000 1.013 68 F HN 0.007 nan 8.300 nan 0.000 0.486 69 A N -0.102 122.840 122.820 0.203 0.000 1.933 69 A HA -0.153 4.168 4.320 0.001 0.000 0.218 69 A C 2.154 179.821 177.584 0.138 0.000 1.175 69 A CA 1.456 53.586 52.037 0.156 0.000 0.628 69 A CB -1.029 18.049 19.000 0.130 0.000 0.814 69 A HN 0.349 nan 8.150 nan 0.000 0.444 70 L N -0.279 121.013 121.223 0.114 0.000 2.046 70 L HA -0.037 4.304 4.340 0.001 0.000 0.208 70 L C 2.644 179.575 176.870 0.102 0.000 1.077 70 L CA 2.150 57.062 54.840 0.119 0.000 0.747 70 L CB -0.773 41.360 42.059 0.124 0.000 0.896 70 L HN 0.325 nan 8.230 nan 0.000 0.432 71 A N -0.628 122.245 122.820 0.089 0.000 1.902 71 A HA -0.242 4.078 4.320 0.001 0.000 0.217 71 A C 2.362 180.060 177.584 0.190 0.000 1.181 71 A CA 2.049 54.113 52.037 0.046 0.000 0.623 71 A CB -0.506 18.427 19.000 -0.110 0.000 0.818 71 A HN 0.504 nan 8.150 nan 0.000 0.443 72 K N -0.791 119.770 120.400 0.270 0.000 2.057 72 K HA -0.114 4.207 4.320 0.001 0.000 0.206 72 K C 2.050 178.731 176.600 0.134 0.000 1.050 72 K CA 1.414 57.841 56.287 0.234 0.000 0.935 72 K CB -0.084 32.522 32.500 0.176 0.000 0.715 72 K HN 0.642 nan 8.250 nan 0.000 0.439 73 E N 0.246 120.512 120.200 0.111 0.000 2.274 73 E HA -0.106 4.245 4.350 0.001 0.000 0.194 73 E C 0.966 177.603 176.600 0.061 0.000 0.996 73 E CA 1.278 57.726 56.400 0.079 0.000 0.840 73 E CB 0.267 30.015 29.700 0.081 0.000 0.772 73 E HN 0.340 nan 8.360 nan 0.000 0.491 74 T N -2.070 112.522 114.554 0.063 0.000 3.122 74 T HA 0.029 4.380 4.350 0.001 0.000 0.250 74 T C 0.374 175.099 174.700 0.043 0.000 1.067 74 T CA 0.260 62.380 62.100 0.033 0.000 0.966 74 T CB 0.193 69.065 68.868 0.007 0.000 1.002 74 T HN 0.028 nan 8.240 nan 0.000 0.542 75 D N 0.201 120.645 120.400 0.073 0.000 2.699 75 D HA -0.140 4.501 4.640 0.001 0.000 0.239 75 D C 0.645 177.009 176.300 0.106 0.000 1.136 75 D CA 0.348 54.400 54.000 0.086 0.000 0.668 75 D CB -1.554 39.281 40.800 0.058 0.000 1.060 75 D HN 0.437 nan 8.370 nan 0.000 0.429 76 L N 0.927 122.233 121.223 0.138 0.000 2.042 76 L HA -0.160 4.181 4.340 0.001 0.000 0.210 76 L C 2.309 179.314 176.870 0.225 0.000 1.076 76 L CA 2.528 57.445 54.840 0.129 0.000 0.749 76 L CB -0.495 41.562 42.059 -0.003 0.000 0.893 76 L HN 0.270 nan 8.230 nan 0.000 0.432 77 Q N -0.622 119.365 119.800 0.312 0.000 2.135 77 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 77 Q C 2.262 178.319 176.000 0.093 0.000 0.981 77 Q CA 2.197 58.111 55.803 0.185 0.000 0.856 77 Q CB -0.392 28.369 28.738 0.038 0.000 0.902 77 Q HN 0.598 nan 8.270 nan 0.000 0.425 78 S N -0.131 115.624 115.700 0.091 0.000 2.382 78 S HA -0.107 4.364 4.470 0.001 0.000 0.228 78 S C 1.861 176.537 174.600 0.126 0.000 1.027 78 S CA 0.909 59.155 58.200 0.077 0.000 0.991 78 S CB -0.501 62.737 63.200 0.064 0.000 0.823 78 S HN 0.598 nan 8.310 nan 0.000 0.469 79 A N 1.494 124.421 122.820 0.177 0.000 1.898 79 A HA -0.017 4.304 4.320 0.001 0.000 0.216 79 A C 2.041 179.895 177.584 0.450 0.000 1.181 79 A CA 1.072 53.284 52.037 0.292 0.000 0.620 79 A CB -0.679 18.461 19.000 0.234 0.000 0.819 79 A HN 0.476 nan 8.150 nan 0.000 0.442 80 I N -0.345 120.456 120.570 0.385 0.000 2.163 80 I HA -0.255 3.916 4.170 0.001 0.000 0.243 80 I C 2.602 178.823 176.117 0.173 0.000 1.085 80 I CA 1.858 63.317 61.300 0.265 0.000 1.347 80 I CB -0.780 37.185 38.000 -0.058 0.000 1.044 80 I HN 0.259 nan 8.210 nan 0.000 0.408 81 T N 0.832 115.434 114.554 0.081 0.000 2.720 81 T HA -0.187 4.164 4.350 0.001 0.000 0.268 81 T C 2.062 176.813 174.700 0.086 0.000 1.037 81 T CA 1.487 63.612 62.100 0.042 0.000 1.144 81 T CB -0.377 68.490 68.868 -0.002 0.000 0.864 81 T HN 0.497 nan 8.240 nan 0.000 0.444 82 A N 1.456 124.342 122.820 0.110 0.000 1.883 82 A HA -0.106 4.215 4.320 0.001 0.000 0.217 82 A C 2.324 179.940 177.584 0.054 0.000 1.186 82 A CA 1.993 54.085 52.037 0.093 0.000 0.624 82 A CB -0.766 18.315 19.000 0.136 0.000 0.822 82 A HN 0.537 nan 8.150 nan 0.000 0.444 83 M N -1.746 117.891 119.600 0.061 0.000 2.067 83 M HA -0.133 4.348 4.480 0.001 0.000 0.260 83 M C 1.879 178.033 176.300 -0.244 0.000 1.069 83 M CA 2.083 57.293 55.300 -0.151 0.000 1.117 83 M CB -0.269 32.090 32.600 -0.403 0.000 1.334 83 M HN 0.342 nan 8.290 nan 0.000 0.407 84 F N 1.008 120.832 119.950 -0.211 0.000 2.216 84 F HA -0.173 4.355 4.527 0.001 0.000 0.300 84 F C 2.338 178.027 175.800 -0.185 0.000 1.085 84 F CA 1.802 59.678 58.000 -0.207 0.000 1.326 84 F CB -0.443 38.451 39.000 -0.176 0.000 1.027 84 F HN 0.297 nan 8.300 nan 0.000 0.497 85 K N -0.033 120.378 120.400 0.017 0.000 2.459 85 K HA 0.286 4.606 4.320 0.001 0.000 0.193 85 K C 1.271 177.806 176.600 -0.109 0.000 1.030 85 K CA 0.919 57.181 56.287 -0.041 0.000 1.026 85 K CB 0.004 32.492 32.500 -0.021 0.000 0.809 85 K HN 0.230 nan 8.250 nan 0.000 0.504 86 G N 1.114 109.820 108.800 -0.157 0.000 2.144 86 G HA2 -0.182 3.779 3.960 0.001 0.000 0.218 86 G HA3 -0.182 3.779 3.960 0.001 0.000 0.218 86 G C -0.565 174.263 174.900 -0.120 0.000 0.988 86 G CA -0.255 44.722 45.100 -0.204 0.000 0.659 86 G HN 0.330 nan 8.290 nan 0.000 0.522 87 E N 0.091 120.253 120.200 -0.062 0.000 2.398 87 E HA 0.452 4.803 4.350 0.001 0.000 0.263 87 E C 0.890 177.493 176.600 0.005 0.000 1.046 87 E CA 0.450 56.844 56.400 -0.010 0.000 0.908 87 E CB 0.887 30.603 29.700 0.028 0.000 0.963 87 E HN 0.813 nan 8.360 nan 0.000 0.431 88 A N 3.783 126.624 122.820 0.035 0.000 3.048 88 A HA 0.096 4.417 4.320 0.001 0.000 0.264 88 A C 1.406 179.050 177.584 0.099 0.000 1.796 88 A CA -0.150 51.922 52.037 0.058 0.000 1.445 88 A CB -1.399 17.637 19.000 0.061 0.000 1.074 88 A HN 0.631 nan 8.150 nan 0.000 0.621 89 I N -1.612 119.031 120.570 0.121 0.000 2.830 89 I HA -0.038 4.133 4.170 0.001 0.000 0.263 89 I C 0.912 177.206 176.117 0.294 0.000 1.230 89 I CA 0.549 61.987 61.300 0.231 0.000 1.480 89 I CB -0.177 37.990 38.000 0.278 0.000 1.095 89 I HN 0.406 nan 8.210 nan 0.000 0.455 90 N N 2.491 121.308 118.700 0.195 0.000 2.739 90 N HA 0.052 4.793 4.740 0.001 0.000 0.266 90 N C 0.743 176.244 175.510 -0.015 0.000 1.168 90 N CA 0.222 53.362 53.050 0.150 0.000 1.055 90 N CB 0.371 38.967 38.487 0.182 0.000 1.393 90 N HN 0.473 nan 8.380 nan 0.000 0.514 91 Q N -0.030 119.646 119.800 -0.207 0.000 2.172 91 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 91 Q C 1.535 177.409 176.000 -0.209 0.000 0.964 91 Q CA 1.674 57.364 55.803 -0.190 0.000 0.855 91 Q CB 0.106 28.780 28.738 -0.105 0.000 0.918 91 Q HN 0.717 nan 8.270 nan 0.000 0.444 92 T N -1.809 112.536 114.554 -0.348 0.000 2.995 92 T HA -0.065 4.286 4.350 0.001 0.000 0.269 92 T C 1.318 176.134 174.700 0.193 0.000 1.091 92 T CA 0.956 63.031 62.100 -0.041 0.000 1.128 92 T CB 0.061 69.017 68.868 0.146 0.000 0.891 92 T HN 0.245 nan 8.240 nan 0.000 0.492 93 E N 0.531 120.814 120.200 0.139 0.000 2.498 93 E HA 0.128 4.479 4.350 0.001 0.000 0.203 93 E C -0.208 176.452 176.600 0.100 0.000 1.013 93 E CA -0.055 56.440 56.400 0.158 0.000 0.927 93 E CB 0.246 29.998 29.700 0.086 0.000 1.012 93 E HN 0.373 nan 8.360 nan 0.000 0.482 94 D N 1.768 122.209 120.400 0.068 0.000 2.812 94 D HA -0.191 4.449 4.640 0.001 0.000 0.237 94 D C -0.943 175.408 176.300 0.085 0.000 1.162 94 D CA 0.873 54.913 54.000 0.066 0.000 0.740 94 D CB -0.692 40.146 40.800 0.065 0.000 1.000 94 D HN 0.144 nan 8.370 nan 0.000 0.416 95 R N -0.188 120.369 120.500 0.094 0.000 2.771 95 R HA 0.833 5.174 4.340 0.001 0.000 0.274 95 R C 0.036 176.405 176.300 0.115 0.000 0.987 95 R CA -0.488 55.689 56.100 0.128 0.000 0.908 95 R CB 1.614 32.003 30.300 0.149 0.000 1.213 95 R HN 0.152 nan 8.270 nan 0.000 0.468 96 A N 1.214 124.111 122.820 0.129 0.000 2.327 96 A HA 0.469 4.790 4.320 0.001 0.000 0.255 96 A C -0.372 177.244 177.584 0.054 0.000 1.099 96 A CA -0.284 51.775 52.037 0.036 0.000 0.801 96 A CB 0.650 19.602 19.000 -0.079 0.000 1.062 96 A HN 0.363 nan 8.150 nan 0.000 0.496 97 V N 1.243 121.081 119.914 -0.125 0.000 2.385 97 V HA 0.290 4.411 4.120 0.001 0.000 0.277 97 V C -0.288 175.581 176.094 -0.375 0.000 1.012 97 V CA 0.134 62.274 62.300 -0.266 0.000 0.832 97 V CB 0.546 31.951 31.823 -0.697 0.000 1.028 97 V HN 0.711 nan 8.190 nan 0.000 0.436 98 L N 4.487 125.633 121.223 -0.130 0.000 3.288 98 L HA 0.278 4.619 4.340 0.001 0.000 0.293 98 L C 1.937 178.785 176.870 -0.037 0.000 1.294 98 L CA -0.250 54.412 54.840 -0.296 0.000 1.006 98 L CB 0.084 41.740 42.059 -0.672 0.000 1.407 98 L HN 0.802 nan 8.230 nan 0.000 0.592 99 H N -1.504 117.599 119.070 0.055 0.000 2.457 99 H HA -0.152 4.404 4.556 0.001 0.000 0.297 99 H C 1.827 177.116 175.328 -0.064 0.000 1.092 99 H CA 1.728 57.854 56.048 0.131 0.000 1.309 99 H CB -0.886 28.987 29.762 0.184 0.000 1.382 99 H HN 0.442 nan 8.280 nan 0.000 0.535 100 T N -0.943 113.304 114.554 -0.512 0.000 2.833 100 T HA 0.035 4.386 4.350 0.001 0.000 0.269 100 T C 2.337 176.934 174.700 -0.172 0.000 1.054 100 T CA 1.185 63.057 62.100 -0.379 0.000 1.135 100 T CB -0.559 67.894 68.868 -0.692 0.000 0.869 100 T HN 0.498 nan 8.240 nan 0.000 0.466 101 A N 1.534 124.245 122.820 -0.182 0.000 1.969 101 A HA 0.247 4.567 4.320 0.001 0.000 0.218 101 A C 2.389 179.995 177.584 0.037 0.000 1.169 101 A CA 0.902 52.867 52.037 -0.119 0.000 0.635 101 A CB -0.822 17.991 19.000 -0.313 0.000 0.810 101 A HN 0.552 nan 8.150 nan 0.000 0.445 102 L N -0.278 121.048 121.223 0.171 0.000 2.127 102 L HA -0.159 4.182 4.340 0.001 0.000 0.211 102 L C 2.342 179.321 176.870 0.182 0.000 1.089 102 L CA 1.573 56.590 54.840 0.295 0.000 0.757 102 L CB -0.344 41.980 42.059 0.441 0.000 0.899 102 L HN 0.559 nan 8.230 nan 0.000 0.434 103 R N -0.653 119.873 120.500 0.044 0.000 2.586 103 R HA 0.089 4.430 4.340 0.001 0.000 0.336 103 R C 0.189 176.416 176.300 -0.121 0.000 1.060 103 R CA -0.204 55.877 56.100 -0.032 0.000 1.079 103 R CB -0.668 29.547 30.300 -0.141 0.000 1.317 103 R HN 0.033 nan 8.270 nan 0.000 0.568 104 N N 2.288 120.919 118.700 -0.114 0.000 2.819 104 N HA 0.010 4.751 4.740 0.001 0.000 0.284 104 N C 0.534 175.805 175.510 -0.398 0.000 1.196 104 N CA -0.189 52.714 53.050 -0.246 0.000 1.114 104 N CB 0.475 38.923 38.487 -0.066 0.000 1.437 104 N HN 0.071 nan 8.380 nan 0.000 0.518 105 R N 0.426 120.476 120.500 -0.750 0.000 2.193 105 R HA -0.092 4.249 4.340 0.001 0.000 0.229 105 R C 1.827 177.981 176.300 -0.243 0.000 1.110 105 R CA 1.055 56.917 56.100 -0.397 0.000 0.988 105 R CB -1.098 29.019 30.300 -0.305 0.000 0.871 105 R HN 0.649 nan 8.270 nan 0.000 0.458 106 S N 0.862 116.401 115.700 -0.268 0.000 2.447 106 S HA -0.116 4.355 4.470 0.001 0.000 0.233 106 S C 0.700 175.290 174.600 -0.015 0.000 1.006 106 S CA 0.631 58.827 58.200 -0.006 0.000 0.957 106 S CB -0.168 63.122 63.200 0.150 0.000 0.773 106 S HN 0.289 nan 8.310 nan 0.000 0.507 107 N N 1.287 119.958 118.700 -0.048 0.000 2.741 107 N HA -0.142 4.599 4.740 0.001 0.000 0.251 107 N C -0.241 175.262 175.510 -0.012 0.000 1.112 107 N CA 1.085 54.120 53.050 -0.024 0.000 0.750 107 N CB -2.206 36.276 38.487 -0.008 0.000 1.119 107 N HN 0.882 nan 8.380 nan 0.000 0.561 108 S N -0.221 115.478 115.700 -0.001 0.000 2.560 108 S HA 0.402 4.873 4.470 0.001 0.000 0.284 108 S C -2.309 172.277 174.600 -0.023 0.000 1.327 108 S CA -0.969 57.229 58.200 -0.003 0.000 1.055 108 S CB 1.164 64.371 63.200 0.012 0.000 0.868 108 S HN -0.010 nan 8.310 nan 0.000 0.506 109 P HA 0.243 nan 4.420 nan 0.000 0.268 109 P C -1.080 176.176 177.300 -0.073 0.000 1.205 109 P CA -0.321 62.748 63.100 -0.052 0.000 0.771 109 P CB 0.473 32.146 31.700 -0.045 0.000 0.858 110 V N 4.944 124.789 119.914 -0.115 0.000 2.409 110 V HA 0.281 4.402 4.120 0.001 0.000 0.290 110 V C 0.053 176.029 176.094 -0.197 0.000 1.017 110 V CA -0.482 61.717 62.300 -0.167 0.000 0.841 110 V CB 1.096 32.776 31.823 -0.239 0.000 1.003 110 V HN 0.353 nan 8.190 nan 0.000 0.426 111 L N 5.218 126.344 121.223 -0.162 0.000 2.307 111 L HA 0.686 5.027 4.340 0.001 0.000 0.282 111 L C -0.550 176.217 176.870 -0.172 0.000 1.051 111 L CA -0.718 54.037 54.840 -0.142 0.000 0.804 111 L CB 1.766 43.772 42.059 -0.089 0.000 1.197 111 L HN 0.326 nan 8.230 nan 0.000 0.431 112 V N 3.093 122.914 119.914 -0.155 0.000 2.443 112 V HA 0.289 4.409 4.120 0.001 0.000 0.293 112 V C -0.138 175.927 176.094 -0.050 0.000 1.021 112 V CA -0.689 61.535 62.300 -0.127 0.000 0.848 112 V CB 1.380 33.105 31.823 -0.163 0.000 0.998 112 V HN 0.891 nan 8.190 nan 0.000 0.424 113 N N 3.946 122.629 118.700 -0.029 0.000 2.735 113 N HA -0.205 4.536 4.740 0.001 0.000 0.248 113 N C 1.169 176.672 175.510 -0.012 0.000 1.083 113 N CA 1.554 54.600 53.050 -0.006 0.000 0.703 113 N CB -1.077 37.420 38.487 0.016 0.000 1.005 113 N HN 1.579 nan 8.380 nan 0.000 0.550 114 G N -1.028 107.756 108.800 -0.026 0.000 2.155 114 G HA2 -0.322 3.639 3.960 0.001 0.000 0.257 114 G HA3 -0.322 3.639 3.960 0.001 0.000 0.257 114 G C -0.274 174.609 174.900 -0.028 0.000 0.983 114 G CA 0.781 45.866 45.100 -0.025 0.000 0.676 114 G HN 0.592 nan 8.290 nan 0.000 0.528 115 E N 0.322 120.500 120.200 -0.036 0.000 2.224 115 E HA 0.385 4.735 4.350 0.001 0.000 0.265 115 E C -1.120 175.442 176.600 -0.064 0.000 0.878 115 E CA -0.998 55.381 56.400 -0.035 0.000 0.759 115 E CB 1.550 31.241 29.700 -0.015 0.000 1.164 115 E HN 0.129 nan 8.360 nan 0.000 0.414 116 D N 2.221 122.584 120.400 -0.062 0.000 2.417 116 D HA -0.030 4.611 4.640 0.001 0.000 0.250 116 D C 0.864 177.103 176.300 -0.102 0.000 1.166 116 D CA -0.073 53.876 54.000 -0.086 0.000 0.881 116 D CB 1.450 42.214 40.800 -0.060 0.000 1.164 116 D HN 0.300 nan 8.370 nan 0.000 0.467 117 V N 2.086 121.900 119.914 -0.166 0.000 3.608 117 V HA -0.033 4.088 4.120 0.001 0.000 0.269 117 V C 1.911 177.907 176.094 -0.164 0.000 1.245 117 V CA 0.106 62.289 62.300 -0.194 0.000 1.138 117 V CB -0.303 31.321 31.823 -0.332 0.000 0.841 117 V HN 0.422 nan 8.190 nan 0.000 0.451 118 M N 0.974 120.503 119.600 -0.117 0.000 2.159 118 M HA 0.031 4.512 4.480 0.001 0.000 0.263 118 M C 0.121 176.412 176.300 -0.014 0.000 1.063 118 M CA 1.491 56.754 55.300 -0.061 0.000 1.110 118 M CB -2.529 30.044 32.600 -0.045 0.000 1.374 118 M HN 0.340 nan 8.290 nan 0.000 0.411 119 P HA -0.066 nan 4.420 nan 0.000 0.216 119 P C 1.337 178.672 177.300 0.058 0.000 1.150 119 P CA 1.905 65.021 63.100 0.027 0.000 0.837 119 P CB -0.164 31.548 31.700 0.020 0.000 0.786 120 A N -0.705 122.130 122.820 0.025 0.000 1.898 120 A HA -0.130 4.191 4.320 0.001 0.000 0.216 120 A C 2.323 180.028 177.584 0.202 0.000 1.181 120 A CA 1.568 53.669 52.037 0.105 0.000 0.620 120 A CB -1.655 17.343 19.000 -0.004 0.000 0.819 120 A HN 0.006 nan 8.150 nan 0.000 0.442 121 V N 1.159 121.093 119.914 0.033 0.000 2.255 121 V HA -0.278 3.842 4.120 0.001 0.000 0.247 121 V C 2.270 178.542 176.094 0.296 0.000 1.051 121 V CA 2.229 64.666 62.300 0.228 0.000 1.018 121 V CB -0.923 30.986 31.823 0.144 0.000 0.641 121 V HN 0.561 nan 8.190 nan 0.000 0.445 122 N N 0.298 119.112 118.700 0.190 0.000 2.244 122 N HA -0.079 4.661 4.740 0.001 0.000 0.183 122 N C 1.831 177.451 175.510 0.184 0.000 1.016 122 N CA 1.496 54.654 53.050 0.181 0.000 0.866 122 N CB -0.421 38.139 38.487 0.122 0.000 0.980 122 N HN 0.506 nan 8.380 nan 0.000 0.430 123 A N 0.669 123.599 122.820 0.184 0.000 1.898 123 A HA -0.064 4.257 4.320 0.001 0.000 0.216 123 A C 2.466 180.166 177.584 0.193 0.000 1.181 123 A CA 1.194 53.330 52.037 0.165 0.000 0.620 123 A CB -0.641 18.451 19.000 0.153 0.000 0.819 123 A HN 0.098 nan 8.150 nan 0.000 0.442 124 V N 0.099 120.179 119.914 0.277 0.000 2.358 124 V HA -0.233 3.887 4.120 0.001 0.000 0.246 124 V C 2.548 178.793 176.094 0.251 0.000 1.047 124 V CA 1.794 64.263 62.300 0.281 0.000 1.035 124 V CB -0.837 31.190 31.823 0.340 0.000 0.658 124 V HN 0.554 nan 8.190 nan 0.000 0.452 125 L N 0.264 121.652 121.223 0.274 0.000 2.012 125 L HA -0.210 4.130 4.340 0.001 0.000 0.210 125 L C 2.763 179.669 176.870 0.061 0.000 1.073 125 L CA 1.768 56.769 54.840 0.269 0.000 0.748 125 L CB -0.813 41.484 42.059 0.396 0.000 0.891 125 L HN 0.375 nan 8.230 nan 0.000 0.431 126 A N -0.170 122.693 122.820 0.072 0.000 1.902 126 A HA -0.263 4.057 4.320 0.001 0.000 0.217 126 A C 2.397 179.976 177.584 -0.008 0.000 1.181 126 A CA 2.013 54.043 52.037 -0.011 0.000 0.623 126 A CB -0.457 18.574 19.000 0.050 0.000 0.818 126 A HN 0.344 nan 8.150 nan 0.000 0.443 127 K N -0.901 119.551 120.400 0.085 0.000 2.057 127 K HA -0.074 4.247 4.320 0.001 0.000 0.206 127 K C 2.075 178.813 176.600 0.231 0.000 1.050 127 K CA 1.556 57.937 56.287 0.157 0.000 0.935 127 K CB -0.233 32.370 32.500 0.170 0.000 0.715 127 K HN 0.514 nan 8.250 nan 0.000 0.439 128 M N 0.638 120.320 119.600 0.137 0.000 2.132 128 M HA -0.152 4.329 4.480 0.001 0.000 0.263 128 M C 2.327 178.562 176.300 -0.109 0.000 1.065 128 M CA 1.464 56.741 55.300 -0.039 0.000 1.122 128 M CB -0.250 32.245 32.600 -0.176 0.000 1.365 128 M HN 0.115 nan 8.290 nan 0.000 0.411 129 K N 0.927 121.117 120.400 -0.350 0.000 2.009 129 K HA -0.179 4.142 4.320 0.001 0.000 0.210 129 K C 1.964 178.474 176.600 -0.151 0.000 1.049 129 K CA 1.756 57.739 56.287 -0.506 0.000 0.929 129 K CB -0.142 31.791 32.500 -0.944 0.000 0.714 129 K HN 0.254 nan 8.250 nan 0.000 0.440 130 A N 0.783 123.572 122.820 -0.052 0.000 1.877 130 A HA -0.167 4.154 4.320 0.001 0.000 0.216 130 A C 2.039 179.687 177.584 0.106 0.000 1.186 130 A CA 1.474 53.537 52.037 0.042 0.000 0.620 130 A CB -0.878 18.170 19.000 0.080 0.000 0.822 130 A HN 0.554 nan 8.150 nan 0.000 0.443 131 F N 2.035 121.991 119.950 0.010 0.000 2.102 131 F HA -0.216 4.311 4.527 0.001 0.000 0.298 131 F C 2.786 178.527 175.800 -0.098 0.000 1.105 131 F CA 2.132 60.132 58.000 -0.001 0.000 1.239 131 F CB -0.434 38.602 39.000 0.060 0.000 0.991 131 F HN 0.323 nan 8.300 nan 0.000 0.474 132 S N -0.345 115.301 115.700 -0.090 0.000 2.382 132 S HA -0.240 4.231 4.470 0.001 0.000 0.228 132 S C 1.825 176.322 174.600 -0.173 0.000 1.027 132 S CA 1.461 59.541 58.200 -0.200 0.000 0.991 132 S CB -0.891 62.257 63.200 -0.085 0.000 0.823 132 S HN 0.654 nan 8.310 nan 0.000 0.469 133 E N 1.275 121.423 120.200 -0.086 0.000 2.077 133 E HA -0.104 4.247 4.350 0.001 0.000 0.193 133 E C 2.493 179.065 176.600 -0.046 0.000 0.989 133 E CA 1.181 57.559 56.400 -0.037 0.000 0.800 133 E CB -0.142 29.558 29.700 0.001 0.000 0.746 133 E HN 0.581 nan 8.360 nan 0.000 0.452 134 R N 0.289 120.747 120.500 -0.069 0.000 2.075 134 R HA -0.091 4.250 4.340 0.001 0.000 0.232 134 R C 2.431 178.700 176.300 -0.052 0.000 1.126 134 R CA 1.070 57.164 56.100 -0.009 0.000 0.963 134 R CB -0.305 30.048 30.300 0.089 0.000 0.858 134 R HN 0.033 nan 8.270 nan 0.000 0.435 135 V N 1.238 120.972 119.914 -0.300 0.000 2.270 135 V HA -0.206 3.915 4.120 0.001 0.000 0.245 135 V C 2.227 178.243 176.094 -0.131 0.000 1.043 135 V CA 1.725 63.822 62.300 -0.338 0.000 1.014 135 V CB -0.369 31.027 31.823 -0.712 0.000 0.645 135 V HN 0.237 nan 8.190 nan 0.000 0.447 136 I N 0.989 121.488 120.570 -0.118 0.000 2.226 136 I HA -0.143 4.028 4.170 0.001 0.000 0.245 136 I C 2.456 178.659 176.117 0.143 0.000 1.100 136 I CA 1.748 63.052 61.300 0.007 0.000 1.374 136 I CB -0.790 37.195 38.000 -0.024 0.000 1.057 136 I HN 0.416 nan 8.210 nan 0.000 0.413 137 G N -0.466 108.369 108.800 0.058 0.000 2.650 137 G HA2 0.151 4.112 3.960 0.001 0.000 0.214 137 G HA3 0.151 4.112 3.960 0.001 0.000 0.214 137 G C 1.401 176.326 174.900 0.042 0.000 1.136 137 G CA 0.651 45.782 45.100 0.051 0.000 0.789 137 G HN 0.593 nan 8.290 nan 0.000 0.536 138 G N -0.097 108.739 108.800 0.060 0.000 2.175 138 G HA2 -0.255 3.706 3.960 0.001 0.000 0.244 138 G HA3 -0.255 3.706 3.960 0.001 0.000 0.244 138 G C 0.905 175.842 174.900 0.061 0.000 0.982 138 G CA 0.746 45.881 45.100 0.058 0.000 0.641 138 G HN 0.457 nan 8.290 nan 0.000 0.527 139 E N -0.844 119.396 120.200 0.067 0.000 2.150 139 E HA 0.020 4.371 4.350 0.001 0.000 0.193 139 E C 1.267 177.918 176.600 0.086 0.000 0.985 139 E CA 0.691 57.127 56.400 0.061 0.000 0.814 139 E CB 0.045 29.780 29.700 0.059 0.000 0.752 139 E HN 0.589 nan 8.360 nan 0.000 0.466 140 W N 2.752 124.010 121.300 -0.069 0.000 2.419 140 W HA 0.114 4.775 4.660 0.001 0.000 0.312 140 W C -0.568 175.915 176.519 -0.061 0.000 1.323 140 W CA -0.142 57.156 57.345 -0.078 0.000 1.293 140 W CB 0.298 29.659 29.460 -0.164 0.000 1.324 140 W HN -0.184 nan 8.180 nan 0.000 0.512 141 K N 4.478 124.747 120.400 -0.219 0.000 2.123 141 K HA 0.481 4.802 4.320 0.001 0.000 0.259 141 K C 0.564 177.081 176.600 -0.139 0.000 0.960 141 K CA -0.576 55.651 56.287 -0.099 0.000 0.872 141 K CB 1.443 33.885 32.500 -0.096 0.000 1.079 141 K HN 0.602 nan 8.250 nan 0.000 0.440 142 G N 0.616 109.428 108.800 0.019 0.000 2.611 142 G HA2 0.148 4.109 3.960 0.001 0.000 0.273 142 G HA3 0.148 4.109 3.960 0.001 0.000 0.273 142 G C 0.734 175.768 174.900 0.224 0.000 1.305 142 G CA -0.483 44.690 45.100 0.122 0.000 1.010 142 G HN 0.622 nan 8.290 nan 0.000 0.509 143 F N -1.367 118.862 119.950 0.465 0.000 2.451 143 F HA 0.037 4.564 4.527 0.001 0.000 0.299 143 F C 2.051 177.819 175.800 -0.053 0.000 1.101 143 F CA 1.231 59.293 58.000 0.103 0.000 1.436 143 F CB -0.356 38.574 39.000 -0.118 0.000 1.074 143 F HN 0.319 nan 8.300 nan 0.000 0.553 144 T N -3.466 110.725 114.554 -0.605 0.000 3.092 144 T HA 0.511 4.862 4.350 0.001 0.000 0.258 144 T C 1.423 175.995 174.700 -0.214 0.000 1.031 144 T CA 0.178 61.987 62.100 -0.485 0.000 0.925 144 T CB -0.005 68.479 68.868 -0.641 0.000 1.036 144 T HN 0.840 nan 8.240 nan 0.000 0.544 145 G N 1.375 110.099 108.800 -0.127 0.000 2.141 145 G HA2 -0.207 3.753 3.960 0.001 0.000 0.242 145 G HA3 -0.207 3.753 3.960 0.001 0.000 0.242 145 G C -0.156 174.714 174.900 -0.050 0.000 0.982 145 G CA -0.097 44.959 45.100 -0.072 0.000 0.662 145 G HN 0.666 nan 8.290 nan 0.000 0.527 146 K N 0.331 120.707 120.400 -0.040 0.000 2.098 146 K HA 0.747 5.068 4.320 0.001 0.000 0.258 146 K C 0.710 177.333 176.600 0.039 0.000 0.973 146 K CA -0.137 56.146 56.287 -0.006 0.000 0.898 146 K CB 1.673 34.168 32.500 -0.009 0.000 1.057 146 K HN 0.477 nan 8.250 nan 0.000 0.447 147 A N 2.539 125.385 122.820 0.045 0.000 2.425 147 A HA 0.197 4.518 4.320 0.001 0.000 0.242 147 A C 0.180 177.828 177.584 0.106 0.000 1.077 147 A CA -0.431 51.653 52.037 0.078 0.000 0.781 147 A CB 0.028 19.062 19.000 0.057 0.000 1.020 147 A HN 0.529 nan 8.150 nan 0.000 0.494 148 I N 1.995 122.640 120.570 0.125 0.000 2.588 148 I HA 0.094 4.264 4.170 0.001 0.000 0.283 148 I C 1.584 177.759 176.117 0.097 0.000 1.119 148 I CA 0.986 62.345 61.300 0.098 0.000 1.419 148 I CB 0.650 38.667 38.000 0.030 0.000 1.394 148 I HN 0.877 nan 8.210 nan 0.000 0.562 149 T N 0.272 114.872 114.554 0.077 0.000 2.955 149 T HA 0.264 4.614 4.350 0.001 0.000 0.251 149 T C 0.162 174.872 174.700 0.016 0.000 1.002 149 T CA -0.205 61.943 62.100 0.081 0.000 0.970 149 T CB 0.239 69.166 68.868 0.098 0.000 1.091 149 T HN 0.481 nan 8.240 nan 0.000 0.495 150 D N 0.336 120.732 120.400 -0.007 0.000 2.738 150 D HA 0.645 5.286 4.640 0.001 0.000 0.237 150 D C -1.511 174.711 176.300 -0.131 0.000 1.123 150 D CA -0.497 53.491 54.000 -0.020 0.000 0.856 150 D CB 2.830 43.648 40.800 0.030 0.000 1.552 150 D HN 0.039 nan 8.370 nan 0.000 0.480 151 V N 1.906 121.733 119.914 -0.144 0.000 2.540 151 V HA 0.505 4.626 4.120 0.001 0.000 0.302 151 V C -0.598 175.327 176.094 -0.282 0.000 1.035 151 V CA -0.754 61.390 62.300 -0.259 0.000 0.873 151 V CB 1.914 33.584 31.823 -0.256 0.000 0.992 151 V HN 0.364 nan 8.190 nan 0.000 0.428 152 V N 4.088 123.741 119.914 -0.435 0.000 2.350 152 V HA 0.379 4.500 4.120 0.001 0.000 0.285 152 V C -0.074 175.842 176.094 -0.296 0.000 1.014 152 V CA -0.725 61.338 62.300 -0.394 0.000 0.831 152 V CB 1.566 33.094 31.823 -0.491 0.000 1.000 152 V HN 0.916 nan 8.190 nan 0.000 0.433 153 N N 4.496 122.949 118.700 -0.413 0.000 2.472 153 N HA 0.510 5.251 4.740 0.001 0.000 0.277 153 N C -0.851 174.578 175.510 -0.135 0.000 1.081 153 N CA -0.210 52.669 53.050 -0.284 0.000 0.973 153 N CB 0.765 39.011 38.487 -0.402 0.000 1.105 153 N HN 0.632 nan 8.380 nan 0.000 0.470 154 I N 2.550 123.091 120.570 -0.049 0.000 2.382 154 I HA 0.622 4.792 4.170 0.001 0.000 0.286 154 I C 0.544 176.645 176.117 -0.027 0.000 1.002 154 I CA -0.605 60.675 61.300 -0.034 0.000 1.135 154 I CB 1.528 39.513 38.000 -0.026 0.000 1.288 154 I HN 0.595 nan 8.210 nan 0.000 0.448 155 G N 6.434 115.229 108.800 -0.009 0.000 2.547 155 G HA2 0.620 4.581 3.960 0.001 0.000 0.291 155 G HA3 0.620 4.581 3.960 0.001 0.000 0.291 155 G C -1.494 173.412 174.900 0.009 0.000 1.471 155 G CA -0.672 44.427 45.100 -0.002 0.000 0.798 155 G HN 0.661 nan 8.290 nan 0.000 0.504 156 I N -1.321 119.249 120.570 -0.001 0.000 2.846 156 I HA 0.878 5.049 4.170 0.001 0.000 0.307 156 I C 1.044 177.152 176.117 -0.016 0.000 1.053 156 I CA -0.146 61.152 61.300 -0.003 0.000 1.050 156 I CB 1.937 39.931 38.000 -0.010 0.000 1.239 156 I HN 1.822 nan 8.210 nan 0.000 0.439 157 G N 3.394 112.176 108.800 -0.030 0.000 2.660 157 G HA2 -0.360 3.600 3.960 0.001 0.000 0.321 157 G HA3 -0.360 3.600 3.960 0.001 0.000 0.321 157 G C 0.908 175.764 174.900 -0.072 0.000 1.246 157 G CA 0.799 45.863 45.100 -0.060 0.000 1.000 157 G HN 1.487 nan 8.290 nan 0.000 0.550 158 G N -0.612 108.140 108.800 -0.079 0.000 2.470 158 G HA2 0.130 4.091 3.960 0.001 0.000 0.220 158 G HA3 0.130 4.091 3.960 0.001 0.000 0.220 158 G C 1.776 176.637 174.900 -0.065 0.000 1.121 158 G CA 1.886 46.933 45.100 -0.088 0.000 0.766 158 G HN 1.160 nan 8.290 nan 0.000 0.553 159 S N -0.566 115.110 115.700 -0.039 0.000 2.575 159 S HA 0.140 4.611 4.470 0.001 0.000 0.215 159 S C 1.206 175.811 174.600 0.010 0.000 0.966 159 S CA 0.768 58.950 58.200 -0.031 0.000 0.911 159 S CB 0.291 63.486 63.200 -0.007 0.000 0.780 159 S HN 0.626 nan 8.310 nan 0.000 0.514 160 D N 0.537 120.941 120.400 0.006 0.000 2.871 160 D HA 0.192 4.833 4.640 0.001 0.000 0.291 160 D C 1.600 177.883 176.300 -0.028 0.000 1.150 160 D CA -0.066 53.957 54.000 0.039 0.000 0.999 160 D CB -0.288 40.535 40.800 0.039 0.000 1.452 160 D HN 0.132 nan 8.370 nan 0.000 0.465 161 L N 0.604 121.812 121.223 -0.026 0.000 2.042 161 L HA 0.066 4.407 4.340 0.001 0.000 0.210 161 L C 2.500 179.373 176.870 0.005 0.000 1.076 161 L CA 1.669 56.510 54.840 0.001 0.000 0.749 161 L CB -0.687 41.352 42.059 -0.033 0.000 0.893 161 L HN 0.248 nan 8.230 nan 0.000 0.432 162 G N 0.208 109.020 108.800 0.019 0.000 2.434 162 G HA2 -0.154 3.807 3.960 0.001 0.000 0.214 162 G HA3 -0.154 3.807 3.960 0.001 0.000 0.214 162 G C -0.743 173.958 174.900 -0.331 0.000 1.202 162 G CA 0.589 45.559 45.100 -0.217 0.000 0.788 162 G HN 0.294 nan 8.290 nan 0.000 0.539 163 P HA -0.150 nan 4.420 nan 0.000 0.215 163 P C 1.407 178.404 177.300 -0.506 0.000 1.153 163 P CA 0.896 63.873 63.100 -0.204 0.000 0.853 163 P CB -0.096 31.643 31.700 0.064 0.000 0.788 164 Y N -0.213 119.488 120.300 -0.999 0.000 2.163 164 Y HA -0.151 4.400 4.550 0.001 0.000 0.288 164 Y C 2.311 177.858 175.900 -0.588 0.000 1.136 164 Y CA 1.367 58.727 58.100 -1.234 0.000 1.147 164 Y CB -1.059 36.811 38.460 -0.984 0.000 0.987 164 Y HN -0.175 nan 8.280 nan 0.000 0.509 165 M N -0.651 118.628 119.600 -0.535 0.000 2.108 165 M HA -0.174 4.307 4.480 0.001 0.000 0.261 165 M C 1.882 177.941 176.300 -0.402 0.000 1.066 165 M CA 1.818 56.811 55.300 -0.511 0.000 1.107 165 M CB -0.834 31.518 32.600 -0.413 0.000 1.356 165 M HN 0.208 nan 8.290 nan 0.000 0.406 166 V N 0.770 120.458 119.914 -0.376 0.000 2.307 166 V HA -0.241 3.880 4.120 0.001 0.000 0.245 166 V C 2.639 178.614 176.094 -0.199 0.000 1.045 166 V CA 2.252 64.389 62.300 -0.271 0.000 1.024 166 V CB -1.473 30.181 31.823 -0.282 0.000 0.651 166 V HN 0.692 nan 8.190 nan 0.000 0.449 167 T N -2.161 112.280 114.554 -0.188 0.000 2.788 167 T HA -0.195 4.155 4.350 0.001 0.000 0.268 167 T C 1.716 176.346 174.700 -0.117 0.000 1.044 167 T CA 1.362 63.408 62.100 -0.091 0.000 1.139 167 T CB -0.294 68.610 68.868 0.061 0.000 0.867 167 T HN 0.419 nan 8.240 nan 0.000 0.454 168 E N 1.785 121.856 120.200 -0.214 0.000 2.072 168 E HA 0.043 4.394 4.350 0.001 0.000 0.191 168 E C 2.650 179.215 176.600 -0.058 0.000 0.985 168 E CA 1.302 57.619 56.400 -0.138 0.000 0.801 168 E CB -0.700 28.810 29.700 -0.317 0.000 0.750 168 E HN 0.697 nan 8.360 nan 0.000 0.452 169 A N 0.755 123.513 122.820 -0.103 0.000 2.015 169 A HA -0.074 4.247 4.320 0.001 0.000 0.219 169 A C 1.948 179.443 177.584 -0.149 0.000 1.163 169 A CA 0.848 52.859 52.037 -0.044 0.000 0.646 169 A CB -0.265 18.709 19.000 -0.043 0.000 0.806 169 A HN 0.169 nan 8.150 nan 0.000 0.448 170 L N -0.331 120.788 121.223 -0.173 0.000 3.017 170 L HA 0.136 4.477 4.340 0.001 0.000 0.255 170 L C 1.404 178.166 176.870 -0.181 0.000 1.247 170 L CA -0.371 54.387 54.840 -0.136 0.000 1.038 170 L CB 0.533 42.531 42.059 -0.102 0.000 1.380 170 L HN 0.085 nan 8.230 nan 0.000 0.548 171 V N 1.298 120.983 119.914 -0.382 0.000 2.370 171 V HA -0.209 3.912 4.120 0.001 0.000 0.252 171 V C -0.180 175.694 176.094 -0.368 0.000 1.068 171 V CA 2.144 64.241 62.300 -0.339 0.000 1.061 171 V CB -1.003 30.646 31.823 -0.290 0.000 0.656 171 V HN 0.432 nan 8.190 nan 0.000 0.455 172 P HA -0.130 nan 4.420 nan 0.000 0.225 172 P C 0.818 177.776 177.300 -0.570 0.000 1.148 172 P CA 1.352 64.087 63.100 -0.609 0.000 0.779 172 P CB -0.102 30.968 31.700 -1.050 0.000 0.780 173 Y N -0.503 119.635 120.300 -0.270 0.000 2.468 173 Y HA 0.099 4.650 4.550 0.001 0.000 0.268 173 Y C 1.281 177.116 175.900 -0.108 0.000 1.177 173 Y CA -0.536 57.471 58.100 -0.155 0.000 1.265 173 Y CB -0.417 37.959 38.460 -0.139 0.000 1.103 173 Y HN -0.052 nan 8.280 nan 0.000 0.522 174 K N 1.393 121.781 120.400 -0.021 0.000 2.168 174 K HA 0.187 4.508 4.320 0.001 0.000 0.258 174 K C -0.083 176.503 176.600 -0.023 0.000 1.010 174 K CA -0.567 55.705 56.287 -0.025 0.000 0.929 174 K CB 0.677 33.146 32.500 -0.052 0.000 0.998 174 K HN 0.103 nan 8.250 nan 0.000 0.479 175 N N -0.099 118.581 118.700 -0.034 0.000 2.514 175 N HA -0.009 4.732 4.740 0.001 0.000 0.299 175 N C 0.864 176.348 175.510 -0.044 0.000 1.292 175 N CA 0.082 53.120 53.050 -0.020 0.000 0.963 175 N CB -0.283 38.186 38.487 -0.030 0.000 1.124 175 N HN 0.848 nan 8.380 nan 0.000 0.580 176 H N -1.824 117.231 119.070 -0.024 0.000 2.524 176 H HA 0.240 4.797 4.556 0.001 0.000 0.282 176 H C 0.139 175.449 175.328 -0.029 0.000 1.016 176 H CA 0.050 56.084 56.048 -0.024 0.000 1.270 176 H CB -0.276 29.475 29.762 -0.018 0.000 1.394 176 H HN 0.220 nan 8.280 nan 0.000 0.568 177 L N 1.692 122.551 121.223 -0.607 0.000 2.461 177 L HA 0.134 4.474 4.340 0.001 0.000 0.272 177 L C 0.050 176.800 176.870 -0.200 0.000 1.197 177 L CA -0.068 54.528 54.840 -0.407 0.000 0.836 177 L CB 0.938 42.751 42.059 -0.410 0.000 1.105 177 L HN 0.285 nan 8.230 nan 0.000 0.477 178 T N 2.519 116.987 114.554 -0.144 0.000 2.749 178 T HA 0.327 4.677 4.350 0.001 0.000 0.287 178 T C -0.342 174.202 174.700 -0.260 0.000 0.970 178 T CA -0.300 61.695 62.100 -0.175 0.000 0.980 178 T CB 1.635 70.436 68.868 -0.112 0.000 0.924 178 T HN 0.307 nan 8.240 nan 0.000 0.456 179 V N 5.680 125.407 119.914 -0.312 0.000 2.472 179 V HA 0.505 4.626 4.120 0.001 0.000 0.290 179 V C -0.855 174.945 176.094 -0.490 0.000 1.037 179 V CA -0.502 61.602 62.300 -0.327 0.000 0.908 179 V CB 1.022 32.728 31.823 -0.195 0.000 0.985 179 V HN 0.895 nan 8.190 nan 0.000 0.454 180 H N 5.590 124.428 119.070 -0.387 0.000 2.690 180 H HA 0.457 5.014 4.556 0.001 0.000 0.368 180 H C -1.643 173.308 175.328 -0.630 0.000 1.150 180 H CA -0.369 55.494 56.048 -0.308 0.000 1.174 180 H CB 2.011 31.618 29.762 -0.258 0.000 1.684 180 H HN 0.577 nan 8.280 nan 0.000 0.538 181 F N 1.278 121.162 119.950 -0.109 0.000 2.460 181 F HA 0.307 4.835 4.527 0.001 0.000 0.341 181 F C -0.083 175.500 175.800 -0.361 0.000 1.130 181 F CA -0.774 57.097 58.000 -0.215 0.000 0.962 181 F CB 1.721 40.545 39.000 -0.292 0.000 1.171 181 F HN 0.112 nan 8.300 nan 0.000 0.436 182 V N 2.773 122.543 119.914 -0.240 0.000 2.459 182 V HA 0.459 4.580 4.120 0.001 0.000 0.295 182 V C 0.094 176.093 176.094 -0.158 0.000 1.029 182 V CA -0.095 61.921 62.300 -0.473 0.000 0.874 182 V CB 1.578 33.195 31.823 -0.344 0.000 0.985 182 V HN 0.927 nan 8.190 nan 0.000 0.438 183 S N 2.544 118.255 115.700 0.017 0.000 3.084 183 S HA 0.152 4.622 4.470 0.001 0.000 0.262 183 S C 0.617 175.311 174.600 0.157 0.000 1.081 183 S CA -0.202 58.070 58.200 0.119 0.000 0.855 183 S CB -0.093 63.180 63.200 0.121 0.000 0.857 183 S HN 0.547 nan 8.310 nan 0.000 0.449 184 N N 1.974 120.862 118.700 0.313 0.000 2.492 184 N HA 0.146 4.887 4.740 0.001 0.000 0.260 184 N C 0.918 176.482 175.510 0.090 0.000 1.215 184 N CA 0.358 53.478 53.050 0.115 0.000 0.923 184 N CB 1.554 40.034 38.487 -0.012 0.000 1.092 184 N HN 0.162 nan 8.380 nan 0.000 0.448 185 V N 2.035 121.971 119.914 0.036 0.000 2.809 185 V HA -0.110 4.011 4.120 0.001 0.000 0.256 185 V C 0.390 176.501 176.094 0.028 0.000 1.080 185 V CA 0.778 63.093 62.300 0.026 0.000 1.102 185 V CB -0.675 31.154 31.823 0.009 0.000 0.705 185 V HN 0.735 nan 8.190 nan 0.000 0.475 186 D N 0.584 120.996 120.400 0.020 0.000 2.581 186 D HA 0.030 4.671 4.640 0.001 0.000 0.238 186 D C 1.450 177.775 176.300 0.042 0.000 1.145 186 D CA 0.968 54.978 54.000 0.017 0.000 0.866 186 D CB 1.197 41.991 40.800 -0.009 0.000 1.151 186 D HN 0.277 nan 8.370 nan 0.000 0.500 187 G N 3.241 112.063 108.800 0.036 0.000 2.485 187 G HA2 -0.294 3.667 3.960 0.001 0.000 0.221 187 G HA3 -0.294 3.667 3.960 0.001 0.000 0.221 187 G C 1.486 176.412 174.900 0.044 0.000 1.115 187 G CA 1.146 46.269 45.100 0.038 0.000 0.751 187 G HN 0.598 nan 8.290 nan 0.000 0.567 188 T N -0.510 114.071 114.554 0.044 0.000 2.737 188 T HA -0.186 4.165 4.350 0.001 0.000 0.269 188 T C 1.889 176.648 174.700 0.099 0.000 1.040 188 T CA 1.501 63.630 62.100 0.049 0.000 1.142 188 T CB -0.378 68.505 68.868 0.026 0.000 0.861 188 T HN 0.600 nan 8.240 nan 0.000 0.456 189 H N -0.592 118.466 119.070 -0.021 0.000 2.299 189 H HA -0.049 4.508 4.556 0.001 0.000 0.302 189 H C 2.378 177.680 175.328 -0.044 0.000 1.078 189 H CA 1.484 57.514 56.048 -0.029 0.000 1.323 189 H CB -0.029 29.716 29.762 -0.030 0.000 1.381 189 H HN 0.185 nan 8.280 nan 0.000 0.498 190 M N 0.602 120.212 119.600 0.016 0.000 2.156 190 M HA -0.020 4.461 4.480 0.001 0.000 0.264 190 M C 2.390 178.629 176.300 -0.101 0.000 1.067 190 M CA 1.590 56.836 55.300 -0.089 0.000 1.131 190 M CB -0.356 32.199 32.600 -0.075 0.000 1.368 190 M HN 0.283 nan 8.290 nan 0.000 0.416 191 A N -0.024 122.770 122.820 -0.042 0.000 1.883 191 A HA -0.174 4.146 4.320 0.001 0.000 0.217 191 A C 2.051 179.608 177.584 -0.045 0.000 1.186 191 A CA 1.958 53.970 52.037 -0.042 0.000 0.624 191 A CB -0.849 18.152 19.000 0.002 0.000 0.822 191 A HN 0.579 nan 8.150 nan 0.000 0.444 192 E N -0.535 119.658 120.200 -0.012 0.000 2.150 192 E HA -0.106 4.245 4.350 0.001 0.000 0.193 192 E C 2.120 178.696 176.600 -0.041 0.000 0.985 192 E CA 1.586 57.986 56.400 0.000 0.000 0.814 192 E CB -0.658 29.069 29.700 0.045 0.000 0.752 192 E HN 0.629 nan 8.360 nan 0.000 0.466 193 T N 1.860 116.356 114.554 -0.097 0.000 2.737 193 T HA -0.039 4.312 4.350 0.001 0.000 0.265 193 T C 2.107 176.638 174.700 -0.281 0.000 1.038 193 T CA 0.628 62.614 62.100 -0.189 0.000 1.144 193 T CB -0.174 68.547 68.868 -0.245 0.000 0.866 193 T HN 0.096 nan 8.240 nan 0.000 0.434 194 L N 0.537 121.564 121.223 -0.327 0.000 2.191 194 L HA -0.050 4.291 4.340 0.001 0.000 0.212 194 L C 2.435 179.197 176.870 -0.180 0.000 1.103 194 L CA 1.163 55.698 54.840 -0.507 0.000 0.769 194 L CB -0.485 41.068 42.059 -0.842 0.000 0.908 194 L HN 0.240 nan 8.230 nan 0.000 0.438 195 K N -0.109 120.248 120.400 -0.072 0.000 2.362 195 K HA -0.063 4.258 4.320 0.001 0.000 0.200 195 K C 1.109 177.733 176.600 0.041 0.000 1.046 195 K CA 0.654 56.962 56.287 0.033 0.000 0.952 195 K CB -0.015 32.503 32.500 0.031 0.000 0.753 195 K HN 0.298 nan 8.250 nan 0.000 0.466 196 N N 0.436 119.127 118.700 -0.016 0.000 2.236 196 N HA 0.009 4.750 4.740 0.001 0.000 0.196 196 N C -0.095 175.414 175.510 -0.002 0.000 1.114 196 N CA 0.220 53.275 53.050 0.008 0.000 0.859 196 N CB 0.860 39.359 38.487 0.021 0.000 0.982 196 N HN 0.011 nan 8.380 nan 0.000 0.493 197 V N -2.748 117.164 119.914 -0.002 0.000 3.102 197 V HA 0.628 4.749 4.120 0.001 0.000 0.312 197 V C -1.147 175.137 176.094 0.316 0.000 1.135 197 V CA -1.022 61.313 62.300 0.058 0.000 1.022 197 V CB 2.749 34.489 31.823 -0.139 0.000 1.056 197 V HN -0.245 nan 8.190 nan 0.000 0.436 198 D N 1.939 122.526 120.400 0.311 0.000 2.350 198 D HA 0.504 5.145 4.640 0.001 0.000 0.245 198 D C -2.158 174.358 176.300 0.361 0.000 1.036 198 D CA -1.685 52.504 54.000 0.315 0.000 0.848 198 D CB 2.417 43.311 40.800 0.157 0.000 1.307 198 D HN 0.320 nan 8.370 nan 0.000 0.469 199 P HA -0.096 nan 4.420 nan 0.000 0.218 199 P C 0.790 178.269 177.300 0.299 0.000 1.148 199 P CA 1.097 64.263 63.100 0.109 0.000 0.822 199 P CB 0.476 31.952 31.700 -0.374 0.000 0.784 200 E N -1.204 119.119 120.200 0.205 0.000 2.347 200 E HA -0.062 4.289 4.350 0.001 0.000 0.196 200 E C 0.845 177.633 176.600 0.315 0.000 1.008 200 E CA 1.473 57.969 56.400 0.160 0.000 0.852 200 E CB -0.384 29.250 29.700 -0.110 0.000 0.783 200 E HN 0.382 nan 8.360 nan 0.000 0.505 201 T N -2.496 112.227 114.554 0.281 0.000 3.231 201 T HA 0.154 4.505 4.350 0.001 0.000 0.292 201 T C 0.196 175.013 174.700 0.194 0.000 1.001 201 T CA -0.494 61.742 62.100 0.227 0.000 0.920 201 T CB 0.681 69.628 68.868 0.132 0.000 1.140 201 T HN -0.223 nan 8.240 nan 0.000 0.525 202 T N 2.857 117.565 114.554 0.256 0.000 2.807 202 T HA 0.676 5.027 4.350 0.001 0.000 0.279 202 T C -1.180 173.517 174.700 -0.004 0.000 0.993 202 T CA -0.642 61.469 62.100 0.019 0.000 0.970 202 T CB 1.928 70.738 68.868 -0.097 0.000 0.950 202 T HN 0.267 nan 8.240 nan 0.000 0.441 203 L N 3.927 125.012 121.223 -0.231 0.000 2.313 203 L HA 0.695 5.035 4.340 0.001 0.000 0.283 203 L C -1.589 174.993 176.870 -0.479 0.000 1.013 203 L CA -0.552 54.144 54.840 -0.239 0.000 0.816 203 L CB 0.256 42.198 42.059 -0.194 0.000 1.236 203 L HN 0.511 nan 8.230 nan 0.000 0.419 204 F N 5.300 125.019 119.950 -0.384 0.000 2.421 204 F HA 0.552 5.080 4.527 0.001 0.000 0.337 204 F C -0.236 175.438 175.800 -0.210 0.000 1.105 204 F CA -0.525 57.245 58.000 -0.383 0.000 1.049 204 F CB 1.366 39.962 39.000 -0.674 0.000 1.139 204 F HN 0.231 nan 8.300 nan 0.000 0.479 205 L N 4.295 125.526 121.223 0.013 0.000 2.305 205 L HA 0.531 4.872 4.340 0.001 0.000 0.284 205 L C -0.870 176.025 176.870 0.042 0.000 1.013 205 L CA -0.968 53.878 54.840 0.010 0.000 0.819 205 L CB 1.446 43.459 42.059 -0.077 0.000 1.227 205 L HN 0.275 nan 8.230 nan 0.000 0.417 206 V N 2.984 122.945 119.914 0.079 0.000 2.318 206 V HA 0.426 4.546 4.120 0.001 0.000 0.271 206 V C 0.578 176.722 176.094 0.082 0.000 1.030 206 V CA -0.405 61.905 62.300 0.017 0.000 0.844 206 V CB 1.176 32.936 31.823 -0.105 0.000 1.015 206 V HN 0.835 nan 8.190 nan 0.000 0.460 207 A N 4.104 126.939 122.820 0.025 0.000 2.341 207 A HA 0.739 5.060 4.320 0.001 0.000 0.326 207 A C 0.163 177.790 177.584 0.072 0.000 1.402 207 A CA -0.218 51.857 52.037 0.063 0.000 0.957 207 A CB 0.656 19.664 19.000 0.014 0.000 1.151 207 A HN 0.836 nan 8.150 nan 0.000 0.533 208 S N 2.116 117.916 115.700 0.168 0.000 2.550 208 S HA 0.300 4.771 4.470 0.001 0.000 0.274 208 S C 0.513 175.237 174.600 0.206 0.000 1.110 208 S CA -0.505 57.781 58.200 0.143 0.000 1.013 208 S CB 0.981 64.173 63.200 -0.014 0.000 1.152 208 S HN 0.673 nan 8.310 nan 0.000 0.450 209 K N 2.856 123.345 120.400 0.148 0.000 2.020 209 K HA -0.105 4.215 4.320 0.001 0.000 0.212 209 K C 2.004 178.556 176.600 -0.081 0.000 1.050 209 K CA 3.056 59.269 56.287 -0.124 0.000 0.929 209 K CB -0.812 31.550 32.500 -0.230 0.000 0.714 209 K HN 0.766 nan 8.250 nan 0.000 0.443 210 T N -3.327 111.226 114.554 -0.001 0.000 3.043 210 T HA -0.033 4.318 4.350 0.001 0.000 0.263 210 T C 0.842 175.626 174.700 0.141 0.000 1.094 210 T CA 0.547 62.662 62.100 0.025 0.000 1.127 210 T CB -0.412 68.465 68.868 0.015 0.000 0.905 210 T HN 0.245 nan 8.240 nan 0.000 0.490 211 F N 2.182 122.093 119.950 -0.065 0.000 3.057 211 F HA -0.262 4.266 4.527 0.001 0.000 0.287 211 F C 0.981 176.765 175.800 -0.027 0.000 0.834 211 F CA 1.029 58.990 58.000 -0.066 0.000 1.147 211 F CB -1.808 37.143 39.000 -0.082 0.000 1.245 211 F HN 0.546 nan 8.300 nan 0.000 0.509 212 T N -4.855 109.706 114.554 0.013 0.000 3.087 212 T HA 0.194 4.544 4.350 0.001 0.000 0.283 212 T C 0.511 175.197 174.700 -0.023 0.000 0.956 212 T CA 0.492 62.593 62.100 0.002 0.000 0.894 212 T CB 0.004 68.895 68.868 0.039 0.000 1.160 212 T HN 0.124 nan 8.240 nan 0.000 0.532 213 T N 3.810 118.335 114.554 -0.048 0.000 2.708 213 T HA 0.030 4.380 4.350 0.001 0.000 0.271 213 T C 1.381 176.055 174.700 -0.043 0.000 0.985 213 T CA 0.244 62.321 62.100 -0.039 0.000 1.229 213 T CB 0.623 69.463 68.868 -0.046 0.000 0.934 213 T HN 0.428 nan 8.240 nan 0.000 0.522 214 Q N 2.455 122.244 119.800 -0.018 0.000 2.173 214 Q HA -0.215 4.126 4.340 0.001 0.000 0.208 214 Q C 2.191 178.185 176.000 -0.009 0.000 0.989 214 Q CA 1.742 57.541 55.803 -0.006 0.000 0.872 214 Q CB 0.027 28.766 28.738 0.002 0.000 0.909 214 Q HN 0.753 nan 8.270 nan 0.000 0.420 215 E N -0.325 119.865 120.200 -0.017 0.000 2.046 215 E HA -0.104 4.247 4.350 0.001 0.000 0.190 215 E C 2.105 178.687 176.600 -0.029 0.000 0.982 215 E CA 1.412 57.804 56.400 -0.013 0.000 0.800 215 E CB -0.026 29.668 29.700 -0.009 0.000 0.756 215 E HN 0.280 nan 8.360 nan 0.000 0.449 216 T N 1.436 115.956 114.554 -0.056 0.000 2.720 216 T HA -0.143 4.207 4.350 0.001 0.000 0.268 216 T C 1.782 176.389 174.700 -0.155 0.000 1.037 216 T CA 1.120 63.160 62.100 -0.100 0.000 1.144 216 T CB -0.037 68.760 68.868 -0.119 0.000 0.864 216 T HN 0.053 nan 8.240 nan 0.000 0.444 217 M N 1.085 120.594 119.600 -0.152 0.000 2.254 217 M HA 0.029 4.510 4.480 0.001 0.000 0.265 217 M C 2.484 178.794 176.300 0.017 0.000 1.066 217 M CA 1.154 56.355 55.300 -0.166 0.000 1.123 217 M CB -1.837 30.698 32.600 -0.108 0.000 1.388 217 M HN 0.188 nan 8.290 nan 0.000 0.425 218 T N 1.302 115.883 114.554 0.045 0.000 2.708 218 T HA -0.104 4.247 4.350 0.001 0.000 0.266 218 T C 1.778 176.510 174.700 0.054 0.000 1.037 218 T CA 1.361 63.510 62.100 0.082 0.000 1.146 218 T CB -0.232 68.663 68.868 0.044 0.000 0.865 218 T HN 0.315 nan 8.240 nan 0.000 0.435 219 N N 1.376 120.077 118.700 0.002 0.000 2.069 219 N HA -0.047 4.693 4.740 0.001 0.000 0.191 219 N C 2.148 177.641 175.510 -0.029 0.000 1.031 219 N CA 1.424 54.464 53.050 -0.017 0.000 0.852 219 N CB -0.565 37.901 38.487 -0.035 0.000 1.018 219 N HN 0.421 nan 8.380 nan 0.000 0.423 220 A N 0.592 123.367 122.820 -0.075 0.000 1.902 220 A HA -0.163 4.158 4.320 0.001 0.000 0.217 220 A C 1.855 179.462 177.584 0.040 0.000 1.181 220 A CA 1.503 53.500 52.037 -0.066 0.000 0.623 220 A CB -0.924 17.886 19.000 -0.317 0.000 0.818 220 A HN 0.443 nan 8.150 nan 0.000 0.443 221 H N -1.152 117.993 119.070 0.124 0.000 2.389 221 H HA -0.048 4.509 4.556 0.001 0.000 0.299 221 H C 2.314 177.651 175.328 0.015 0.000 1.081 221 H CA 1.669 57.747 56.048 0.049 0.000 1.345 221 H CB -0.049 29.725 29.762 0.019 0.000 1.393 221 H HN 0.441 nan 8.280 nan 0.000 0.520 222 T N 0.180 114.808 114.554 0.124 0.000 2.708 222 T HA -0.182 4.169 4.350 0.001 0.000 0.266 222 T C 2.350 177.102 174.700 0.087 0.000 1.037 222 T CA 1.134 63.284 62.100 0.084 0.000 1.146 222 T CB -0.420 68.473 68.868 0.043 0.000 0.865 222 T HN 0.495 nan 8.240 nan 0.000 0.435 223 A N 1.465 124.292 122.820 0.012 0.000 1.902 223 A HA -0.095 4.226 4.320 0.001 0.000 0.217 223 A C 2.298 180.009 177.584 0.212 0.000 1.181 223 A CA 1.660 53.656 52.037 -0.069 0.000 0.623 223 A CB -0.553 18.111 19.000 -0.560 0.000 0.818 223 A HN 0.394 nan 8.150 nan 0.000 0.443 224 R N -0.440 120.137 120.500 0.128 0.000 2.075 224 R HA -0.152 4.188 4.340 0.001 0.000 0.232 224 R C 1.387 177.763 176.300 0.127 0.000 1.126 224 R CA 1.714 57.807 56.100 -0.013 0.000 0.963 224 R CB -0.310 29.709 30.300 -0.469 0.000 0.858 224 R HN 0.452 nan 8.270 nan 0.000 0.435 225 D N -0.443 120.026 120.400 0.115 0.000 2.097 225 D HA -0.217 4.423 4.640 0.001 0.000 0.195 225 D C 1.381 177.788 176.300 0.177 0.000 0.989 225 D CA 1.181 55.244 54.000 0.105 0.000 0.827 225 D CB -0.509 40.347 40.800 0.093 0.000 0.966 225 D HN 0.388 nan 8.370 nan 0.000 0.456 226 W N 0.748 122.083 121.300 0.059 0.000 2.358 226 W HA -0.236 4.425 4.660 0.001 0.000 0.303 226 W C 2.116 178.698 176.519 0.106 0.000 1.208 226 W CA 1.154 58.546 57.345 0.078 0.000 1.274 226 W CB -0.626 28.896 29.460 0.102 0.000 1.138 226 W HN -0.050 nan 8.180 nan 0.000 0.515 227 F N 0.879 120.966 119.950 0.229 0.000 2.102 227 F HA -0.179 4.349 4.527 0.001 0.000 0.298 227 F C 2.034 177.732 175.800 -0.169 0.000 1.105 227 F CA 2.185 60.183 58.000 -0.003 0.000 1.239 227 F CB -0.774 38.438 39.000 0.354 0.000 0.991 227 F HN -0.166 nan 8.300 nan 0.000 0.474 228 L N 0.316 121.441 121.223 -0.163 0.000 2.275 228 L HA -0.189 4.151 4.340 0.001 0.000 0.215 228 L C 2.477 179.164 176.870 -0.305 0.000 1.119 228 L CA 1.321 55.988 54.840 -0.289 0.000 0.790 228 L CB -0.709 41.291 42.059 -0.099 0.000 0.919 228 L HN 0.169 nan 8.230 nan 0.000 0.443 229 K N 0.569 120.820 120.400 -0.248 0.000 2.147 229 K HA -0.179 4.142 4.320 0.001 0.000 0.205 229 K C 2.022 178.452 176.600 -0.283 0.000 1.049 229 K CA 1.367 57.526 56.287 -0.214 0.000 0.936 229 K CB 0.030 32.432 32.500 -0.162 0.000 0.722 229 K HN 0.292 nan 8.250 nan 0.000 0.446 230 A N 0.157 122.716 122.820 -0.435 0.000 1.943 230 A HA 0.178 4.499 4.320 0.001 0.000 0.213 230 A C 2.067 179.394 177.584 -0.427 0.000 1.181 230 A CA 1.060 52.861 52.037 -0.394 0.000 0.653 230 A CB -0.200 18.530 19.000 -0.450 0.000 0.833 230 A HN 0.391 nan 8.150 nan 0.000 0.451 231 A N -2.148 120.167 122.820 -0.841 0.000 2.063 231 A HA 0.429 4.750 4.320 0.001 0.000 0.211 231 A C 2.124 179.453 177.584 -0.426 0.000 1.177 231 A CA 1.291 52.684 52.037 -1.074 0.000 0.759 231 A CB -0.668 17.120 19.000 -2.019 0.000 0.857 231 A HN 1.727 nan 8.150 nan 0.000 0.468 232 G N -0.071 108.533 108.800 -0.326 0.000 3.639 232 G HA2 -0.358 3.603 3.960 0.001 0.000 0.224 232 G HA3 -0.358 3.603 3.960 0.001 0.000 0.224 232 G C 0.318 175.150 174.900 -0.115 0.000 1.339 232 G CA 0.607 45.610 45.100 -0.161 0.000 0.933 232 G HN 0.685 nan 8.290 nan 0.000 0.568 233 D N 2.177 122.529 120.400 -0.080 0.000 2.295 233 D HA 0.373 5.013 4.640 0.001 0.000 0.248 233 D C 1.837 178.064 176.300 -0.122 0.000 1.154 233 D CA 0.193 54.115 54.000 -0.130 0.000 0.857 233 D CB 0.858 41.513 40.800 -0.241 0.000 1.117 233 D HN 0.499 nan 8.370 nan 0.000 0.468 234 E N 3.705 123.854 120.200 -0.085 0.000 2.333 234 E HA -0.189 4.162 4.350 0.001 0.000 0.198 234 E C 1.368 177.958 176.600 -0.017 0.000 1.007 234 E CA 0.735 57.115 56.400 -0.033 0.000 0.845 234 E CB -0.476 29.186 29.700 -0.064 0.000 0.766 234 E HN 0.432 nan 8.360 nan 0.000 0.507 235 A N 1.785 124.538 122.820 -0.112 0.000 1.978 235 A HA -0.201 4.120 4.320 0.001 0.000 0.220 235 A C 1.841 179.429 177.584 0.007 0.000 1.170 235 A CA 1.479 53.456 52.037 -0.102 0.000 0.636 235 A CB -0.906 17.973 19.000 -0.201 0.000 0.810 235 A HN 0.307 nan 8.150 nan 0.000 0.448 236 H N -0.805 118.370 119.070 0.175 0.000 2.524 236 H HA 0.014 4.571 4.556 0.001 0.000 0.282 236 H C 2.110 177.712 175.328 0.457 0.000 1.016 236 H CA 1.112 57.354 56.048 0.322 0.000 1.270 236 H CB -0.491 29.406 29.762 0.226 0.000 1.394 236 H HN 0.310 nan 8.280 nan 0.000 0.568 237 V N 1.187 121.362 119.914 0.434 0.000 2.469 237 V HA -0.248 3.872 4.120 0.001 0.000 0.251 237 V C 2.690 179.016 176.094 0.386 0.000 1.064 237 V CA 1.507 63.986 62.300 0.298 0.000 1.066 237 V CB -0.938 30.925 31.823 0.068 0.000 0.667 237 V HN 0.467 nan 8.190 nan 0.000 0.461 238 A N -0.612 122.401 122.820 0.321 0.000 2.125 238 A HA -0.191 4.130 4.320 0.001 0.000 0.219 238 A C 2.189 180.013 177.584 0.400 0.000 1.156 238 A CA 1.528 53.756 52.037 0.319 0.000 0.671 238 A CB -0.343 18.783 19.000 0.210 0.000 0.794 238 A HN 0.576 nan 8.150 nan 0.000 0.459 239 K N -1.440 119.190 120.400 0.384 0.000 2.393 239 K HA 0.091 4.412 4.320 0.001 0.000 0.193 239 K C 0.565 177.293 176.600 0.213 0.000 1.026 239 K CA 0.463 56.916 56.287 0.277 0.000 1.064 239 K CB 0.122 32.675 32.500 0.087 0.000 0.833 239 K HN 0.606 nan 8.250 nan 0.000 0.521 240 H N -1.635 117.678 119.070 0.405 0.000 3.233 240 H HA 0.196 4.753 4.556 0.001 0.000 0.263 240 H C -0.699 174.619 175.328 -0.016 0.000 1.168 240 H CA 0.032 56.176 56.048 0.160 0.000 1.159 240 H CB 0.725 30.368 29.762 -0.199 0.000 1.593 240 H HN -0.055 nan 8.280 nan 0.000 0.580 241 F N 0.834 120.962 119.950 0.296 0.000 2.561 241 F HA 0.607 5.135 4.527 0.001 0.000 0.313 241 F C -0.177 175.744 175.800 0.201 0.000 1.126 241 F CA -0.917 57.243 58.000 0.267 0.000 0.918 241 F CB 2.003 41.184 39.000 0.301 0.000 1.199 241 F HN -0.061 nan 8.300 nan 0.000 0.444 242 A N 1.784 124.765 122.820 0.268 0.000 2.423 242 A HA 0.978 5.299 4.320 0.001 0.000 0.304 242 A C -1.484 176.177 177.584 0.128 0.000 1.104 242 A CA -0.710 51.414 52.037 0.146 0.000 0.757 242 A CB 1.507 20.533 19.000 0.043 0.000 1.313 242 A HN 0.983 nan 8.150 nan 0.000 0.423 243 A N 0.648 123.512 122.820 0.073 0.000 2.355 243 A HA 0.700 5.020 4.320 0.001 0.000 0.317 243 A C -1.028 176.622 177.584 0.110 0.000 1.094 243 A CA -0.440 51.636 52.037 0.065 0.000 0.764 243 A CB 0.735 19.597 19.000 -0.230 0.000 1.230 243 A HN 0.831 nan 8.150 nan 0.000 0.448 244 L N 2.364 123.678 121.223 0.152 0.000 2.335 244 L HA 0.654 4.995 4.340 0.001 0.000 0.268 244 L C 0.155 177.193 176.870 0.281 0.000 1.037 244 L CA -0.141 54.812 54.840 0.189 0.000 0.895 244 L CB 0.496 42.606 42.059 0.085 0.000 1.266 244 L HN 0.686 nan 8.230 nan 0.000 0.439 245 S N 0.330 116.103 115.700 0.123 0.000 2.636 245 S HA 0.445 4.916 4.470 0.001 0.000 0.266 245 S C 0.243 174.683 174.600 -0.267 0.000 1.147 245 S CA 0.234 58.395 58.200 -0.065 0.000 0.815 245 S CB 1.772 64.920 63.200 -0.087 0.000 1.119 245 S HN 0.611 nan 8.310 nan 0.000 0.470 246 T N -0.595 113.763 114.554 -0.327 0.000 3.043 246 T HA 0.321 4.671 4.350 0.001 0.000 0.272 246 T C 0.101 174.663 174.700 -0.230 0.000 0.990 246 T CA -0.131 61.779 62.100 -0.317 0.000 0.897 246 T CB -0.288 68.348 68.868 -0.387 0.000 1.111 246 T HN 0.357 nan 8.240 nan 0.000 0.529 247 N N 1.955 120.528 118.700 -0.213 0.000 2.807 247 N HA 0.319 5.060 4.740 0.001 0.000 0.259 247 N C 1.491 176.868 175.510 -0.221 0.000 1.149 247 N CA -0.015 52.939 53.050 -0.161 0.000 1.042 247 N CB 0.468 38.916 38.487 -0.065 0.000 1.367 247 N HN 0.414 nan 8.380 nan 0.000 0.516 248 G N 2.217 110.907 108.800 -0.184 0.000 2.442 248 G HA2 -0.287 3.674 3.960 0.001 0.000 0.219 248 G HA3 -0.287 3.674 3.960 0.001 0.000 0.219 248 G C 1.408 176.228 174.900 -0.134 0.000 1.141 248 G CA 0.628 45.622 45.100 -0.177 0.000 0.763 248 G HN 0.549 nan 8.290 nan 0.000 0.554 249 K N 0.516 120.865 120.400 -0.085 0.000 2.002 249 K HA 0.013 4.334 4.320 0.001 0.000 0.209 249 K C 2.824 179.411 176.600 -0.022 0.000 1.048 249 K CA 1.361 57.622 56.287 -0.042 0.000 0.930 249 K CB -0.359 32.130 32.500 -0.019 0.000 0.714 249 K HN 0.193 nan 8.250 nan 0.000 0.438 250 A N 0.615 123.427 122.820 -0.013 0.000 1.933 250 A HA -0.108 4.213 4.320 0.001 0.000 0.218 250 A C 2.246 179.855 177.584 0.043 0.000 1.175 250 A CA 1.661 53.751 52.037 0.088 0.000 0.628 250 A CB -0.625 18.494 19.000 0.198 0.000 0.814 250 A HN 0.199 nan 8.150 nan 0.000 0.444 251 V N -0.204 119.533 119.914 -0.296 0.000 2.295 251 V HA -0.246 3.875 4.120 0.001 0.000 0.246 251 V C 3.059 179.098 176.094 -0.091 0.000 1.049 251 V CA 1.974 63.990 62.300 -0.473 0.000 1.024 251 V CB -1.224 30.198 31.823 -0.667 0.000 0.648 251 V HN 0.615 nan 8.190 nan 0.000 0.447 252 A N -0.029 122.750 122.820 -0.067 0.000 1.933 252 A HA -0.246 4.075 4.320 0.001 0.000 0.218 252 A C 2.186 179.802 177.584 0.053 0.000 1.175 252 A CA 1.982 54.017 52.037 -0.003 0.000 0.628 252 A CB -0.514 18.472 19.000 -0.023 0.000 0.814 252 A HN 0.555 nan 8.150 nan 0.000 0.444 253 E N -0.598 119.646 120.200 0.073 0.000 2.110 253 E HA -0.188 4.163 4.350 0.001 0.000 0.193 253 E C 1.566 178.247 176.600 0.136 0.000 0.988 253 E CA 1.357 57.812 56.400 0.093 0.000 0.804 253 E CB -0.552 29.210 29.700 0.104 0.000 0.745 253 E HN 0.578 nan 8.360 nan 0.000 0.458 254 F N -0.547 119.441 119.950 0.064 0.000 2.293 254 F HA 0.041 4.568 4.527 0.001 0.000 0.300 254 F C 1.537 177.324 175.800 -0.021 0.000 1.086 254 F CA 1.827 59.865 58.000 0.063 0.000 1.375 254 F CB 0.263 39.365 39.000 0.169 0.000 1.045 254 F HN 0.208 nan 8.300 nan 0.000 0.516 255 G N 0.466 109.364 108.800 0.163 0.000 2.175 255 G HA2 -0.199 3.761 3.960 0.001 0.000 0.182 255 G HA3 -0.199 3.761 3.960 0.001 0.000 0.182 255 G C 0.159 175.157 174.900 0.165 0.000 1.003 255 G CA -0.069 45.084 45.100 0.088 0.000 0.666 255 G HN 0.273 nan 8.290 nan 0.000 0.506 256 I N 1.754 122.452 120.570 0.213 0.000 2.474 256 I HA 0.249 4.420 4.170 0.001 0.000 0.287 256 I C 0.276 176.442 176.117 0.081 0.000 1.048 256 I CA -0.613 60.793 61.300 0.177 0.000 1.383 256 I CB 1.001 39.074 38.000 0.121 0.000 1.412 256 I HN 0.066 nan 8.210 nan 0.000 0.531 257 D N 4.475 124.934 120.400 0.099 0.000 2.383 257 D HA -0.023 4.618 4.640 0.001 0.000 0.252 257 D C 1.296 177.579 176.300 -0.028 0.000 1.166 257 D CA -0.074 53.956 54.000 0.051 0.000 0.879 257 D CB 1.324 42.186 40.800 0.103 0.000 1.164 257 D HN 0.689 nan 8.370 nan 0.000 0.462 258 T N 0.528 115.041 114.554 -0.068 0.000 3.051 258 T HA -0.141 4.210 4.350 0.001 0.000 0.269 258 T C 1.037 175.623 174.700 -0.189 0.000 1.127 258 T CA 0.541 62.557 62.100 -0.140 0.000 1.107 258 T CB 0.046 68.837 68.868 -0.129 0.000 0.898 258 T HN 0.264 nan 8.240 nan 0.000 0.517 259 D N 2.401 122.721 120.400 -0.132 0.000 2.263 259 D HA -0.041 4.600 4.640 0.001 0.000 0.208 259 D C 0.976 177.065 176.300 -0.351 0.000 0.971 259 D CA 0.899 54.801 54.000 -0.162 0.000 0.867 259 D CB -0.411 40.371 40.800 -0.030 0.000 0.929 259 D HN 0.656 nan 8.370 nan 0.000 0.492 260 N N -0.416 118.093 118.700 -0.318 0.000 2.380 260 N HA 0.142 4.883 4.740 0.001 0.000 0.255 260 N C -0.110 175.072 175.510 -0.547 0.000 1.158 260 N CA -0.154 52.591 53.050 -0.507 0.000 0.878 260 N CB 0.536 38.958 38.487 -0.108 0.000 1.138 260 N HN 0.066 nan 8.380 nan 0.000 0.509 261 M N 1.363 120.595 119.600 -0.614 0.000 2.149 261 M HA 0.385 4.866 4.480 0.001 0.000 0.342 261 M C -1.546 174.380 176.300 -0.623 0.000 1.068 261 M CA -0.609 54.426 55.300 -0.442 0.000 0.991 261 M CB 0.604 33.006 32.600 -0.330 0.000 1.596 261 M HN -0.077 nan 8.290 nan 0.000 0.439 262 F N 3.945 123.784 119.950 -0.185 0.000 2.402 262 F HA 0.338 4.866 4.527 0.001 0.000 0.355 262 F C 0.336 176.062 175.800 -0.124 0.000 1.123 262 F CA -0.713 57.195 58.000 -0.153 0.000 1.021 262 F CB 1.009 39.907 39.000 -0.171 0.000 1.160 262 F HN 0.540 nan 8.300 nan 0.000 0.451 263 E N 3.800 123.950 120.200 -0.084 0.000 2.280 263 E HA 0.713 5.064 4.350 0.001 0.000 0.264 263 E C -1.024 175.260 176.600 -0.527 0.000 1.064 263 E CA -0.573 55.645 56.400 -0.303 0.000 0.900 263 E CB 1.701 31.154 29.700 -0.412 0.000 1.123 263 E HN 0.516 nan 8.360 nan 0.000 0.418 264 F N -2.057 117.258 119.950 -1.059 0.000 2.824 264 F HA 0.704 5.232 4.527 0.001 0.000 0.330 264 F C -1.134 173.751 175.800 -1.526 0.000 1.175 264 F CA -1.308 55.810 58.000 -1.470 0.000 0.974 264 F CB 1.236 39.884 39.000 -0.586 0.000 1.430 264 F HN 0.360 nan 8.300 nan 0.000 0.507 265 W N 0.398 121.438 121.300 -0.434 0.000 2.902 265 W HA 0.259 4.920 4.660 0.001 0.000 0.346 265 W C -0.156 176.002 176.519 -0.602 0.000 1.139 265 W CA -0.396 56.510 57.345 -0.730 0.000 1.139 265 W CB 1.144 29.745 29.460 -1.432 0.000 1.439 265 W HN 0.518 nan 8.180 nan 0.000 0.558 266 D N 0.446 120.698 120.400 -0.246 0.000 2.221 266 D HA -0.147 4.493 4.640 0.001 0.000 0.204 266 D C 1.910 178.250 176.300 0.066 0.000 0.982 266 D CA 1.488 55.444 54.000 -0.073 0.000 0.857 266 D CB -0.078 40.733 40.800 0.019 0.000 0.934 266 D HN 0.452 nan 8.370 nan 0.000 0.475 267 W N 0.407 121.833 121.300 0.209 0.000 3.292 267 W HA 0.237 4.898 4.660 0.001 0.000 0.263 267 W C -0.460 176.186 176.519 0.211 0.000 1.318 267 W CA -0.224 57.212 57.345 0.153 0.000 1.663 267 W CB -0.417 29.089 29.460 0.077 0.000 1.114 267 W HN -0.290 nan 8.180 nan 0.000 0.706 268 V N 2.636 122.740 119.914 0.318 0.000 2.318 268 V HA 0.448 4.569 4.120 0.001 0.000 0.271 268 V C 0.964 177.277 176.094 0.366 0.000 1.030 268 V CA -0.619 61.927 62.300 0.410 0.000 0.844 268 V CB 0.343 32.404 31.823 0.398 0.000 1.015 268 V HN 0.135 nan 8.190 nan 0.000 0.460 269 G N 3.190 112.232 108.800 0.404 0.000 2.483 269 G HA2 0.395 4.356 3.960 0.001 0.000 0.248 269 G HA3 0.395 4.356 3.960 0.001 0.000 0.248 269 G C 1.128 176.210 174.900 0.303 0.000 1.248 269 G CA 0.198 45.526 45.100 0.381 0.000 0.838 269 G HN 0.869 nan 8.290 nan 0.000 0.566 270 G N 1.695 110.612 108.800 0.194 0.000 2.476 270 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 270 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 270 G C 1.678 176.578 174.900 -0.001 0.000 1.164 270 G CA 0.967 46.122 45.100 0.091 0.000 0.768 270 G HN 0.792 nan 8.290 nan 0.000 0.560 271 R N -0.920 119.539 120.500 -0.068 0.000 2.323 271 R HA 0.126 4.466 4.340 0.001 0.000 0.198 271 R C 0.360 176.348 176.300 -0.521 0.000 0.988 271 R CA 0.584 56.480 56.100 -0.339 0.000 1.041 271 R CB -0.269 29.761 30.300 -0.451 0.000 0.926 271 R HN 0.452 nan 8.270 nan 0.000 0.476 272 Y N 0.443 120.772 120.300 0.049 0.000 2.715 272 Y HA 0.204 4.755 4.550 0.001 0.000 0.255 272 Y C 1.193 177.246 175.900 0.256 0.000 1.139 272 Y CA -0.388 57.784 58.100 0.120 0.000 1.151 272 Y CB 1.206 39.587 38.460 -0.131 0.000 1.201 272 Y HN 0.193 nan 8.280 nan 0.000 0.556 273 S N -0.735 115.071 115.700 0.176 0.000 2.540 273 S HA -0.012 4.458 4.470 0.001 0.000 0.218 273 S C 1.623 176.187 174.600 -0.059 0.000 0.977 273 S CA 0.045 58.291 58.200 0.077 0.000 0.918 273 S CB -0.514 62.621 63.200 -0.108 0.000 0.806 273 S HN 0.430 nan 8.310 nan 0.000 0.496 274 L N -1.404 119.688 121.223 -0.218 0.000 2.265 274 L HA 0.290 4.631 4.340 0.001 0.000 0.215 274 L C 1.746 178.497 176.870 -0.198 0.000 1.117 274 L CA 0.945 55.583 54.840 -0.336 0.000 0.782 274 L CB -1.517 40.209 42.059 -0.555 0.000 0.914 274 L HN 0.370 nan 8.230 nan 0.000 0.441 275 W N 0.745 122.145 121.300 0.168 0.000 2.800 275 W HA 0.227 4.887 4.660 0.001 0.000 0.249 275 W C 1.771 178.490 176.519 0.333 0.000 1.294 275 W CA 0.317 57.794 57.345 0.218 0.000 1.402 275 W CB -0.593 28.968 29.460 0.169 0.000 1.126 275 W HN 0.366 nan 8.180 nan 0.000 0.652 276 S N 0.144 116.067 115.700 0.372 0.000 2.623 276 S HA 0.669 5.140 4.470 0.001 0.000 0.287 276 S C 1.623 176.270 174.600 0.078 0.000 1.123 276 S CA -0.114 58.238 58.200 0.255 0.000 1.016 276 S CB 0.595 63.846 63.200 0.086 0.000 1.233 276 S HN 0.013 nan 8.310 nan 0.000 0.512 277 A N 0.368 123.173 122.820 -0.026 0.000 1.997 277 A HA -0.061 4.260 4.320 0.001 0.000 0.221 277 A C 2.067 179.514 177.584 -0.227 0.000 1.172 277 A CA 1.523 53.501 52.037 -0.098 0.000 0.645 277 A CB -1.212 17.799 19.000 0.017 0.000 0.813 277 A HN 0.725 nan 8.150 nan 0.000 0.454 278 I N -0.061 120.292 120.570 -0.361 0.000 2.423 278 I HA -0.207 3.964 4.170 0.001 0.000 0.254 278 I C 2.322 178.321 176.117 -0.196 0.000 1.151 278 I CA 1.477 62.586 61.300 -0.318 0.000 1.421 278 I CB -1.677 36.070 38.000 -0.423 0.000 1.079 278 I HN 0.383 nan 8.210 nan 0.000 0.431 279 G N 0.254 108.953 108.800 -0.168 0.000 2.956 279 G HA2 -0.061 3.900 3.960 0.001 0.000 0.207 279 G HA3 -0.061 3.900 3.960 0.001 0.000 0.207 279 G C 1.564 176.241 174.900 -0.372 0.000 1.162 279 G CA -0.161 44.834 45.100 -0.175 0.000 0.796 279 G HN 0.274 nan 8.290 nan 0.000 0.527 280 L N 2.034 123.045 121.223 -0.353 0.000 2.079 280 L HA -0.128 4.213 4.340 0.001 0.000 0.210 280 L C 2.987 179.685 176.870 -0.286 0.000 1.081 280 L CA 2.499 57.096 54.840 -0.404 0.000 0.752 280 L CB -0.595 41.169 42.059 -0.491 0.000 0.896 280 L HN 0.305 nan 8.230 nan 0.000 0.433 281 S N -1.107 114.484 115.700 -0.183 0.000 2.399 281 S HA -0.170 4.301 4.470 0.001 0.000 0.231 281 S C 2.033 176.601 174.600 -0.053 0.000 1.022 281 S CA 1.426 59.558 58.200 -0.113 0.000 0.983 281 S CB -0.949 62.224 63.200 -0.045 0.000 0.803 281 S HN 0.537 nan 8.310 nan 0.000 0.480 282 I N 1.480 122.012 120.570 -0.062 0.000 2.202 282 I HA -0.123 4.047 4.170 0.001 0.000 0.242 282 I C 2.435 178.505 176.117 -0.078 0.000 1.091 282 I CA 1.319 62.604 61.300 -0.025 0.000 1.368 282 I CB -0.468 37.559 38.000 0.047 0.000 1.058 282 I HN 0.259 nan 8.210 nan 0.000 0.410 283 I N 0.645 121.068 120.570 -0.245 0.000 2.208 283 I HA -0.317 3.854 4.170 0.001 0.000 0.245 283 I C 2.454 178.507 176.117 -0.107 0.000 1.097 283 I CA 1.611 62.796 61.300 -0.191 0.000 1.363 283 I CB -0.335 37.478 38.000 -0.311 0.000 1.051 283 I HN 0.218 nan 8.210 nan 0.000 0.413 284 L N -0.444 120.691 121.223 -0.147 0.000 2.141 284 L HA -0.186 4.155 4.340 0.001 0.000 0.209 284 L C 2.670 179.460 176.870 -0.133 0.000 1.094 284 L CA 1.161 55.910 54.840 -0.152 0.000 0.763 284 L CB -0.466 41.480 42.059 -0.188 0.000 0.908 284 L HN 0.235 nan 8.230 nan 0.000 0.437 285 S N 0.317 115.960 115.700 -0.095 0.000 2.377 285 S HA -0.041 4.430 4.470 0.001 0.000 0.223 285 S C 1.685 176.257 174.600 -0.047 0.000 1.030 285 S CA 1.017 59.173 58.200 -0.074 0.000 0.970 285 S CB 0.075 63.264 63.200 -0.019 0.000 0.830 285 S HN 0.517 nan 8.310 nan 0.000 0.473 286 I N -2.482 118.080 120.570 -0.014 0.000 4.154 286 I HA 0.533 4.704 4.170 0.001 0.000 0.334 286 I C 0.686 176.829 176.117 0.043 0.000 1.371 286 I CA 0.047 61.361 61.300 0.023 0.000 1.110 286 I CB 0.188 38.208 38.000 0.034 0.000 1.085 286 I HN 0.342 nan 8.210 nan 0.000 0.398 287 G N 1.426 110.247 108.800 0.034 0.000 2.712 287 G HA2 -0.341 3.620 3.960 0.001 0.000 0.686 287 G HA3 -0.341 3.620 3.960 0.001 0.000 0.686 287 G C -0.318 174.663 174.900 0.135 0.000 1.321 287 G CA 0.110 45.254 45.100 0.074 0.000 0.813 287 G HN 0.312 nan 8.290 nan 0.000 0.599 288 Y N 0.668 120.998 120.300 0.050 0.000 2.293 288 Y HA -0.051 4.500 4.550 0.001 0.000 0.291 288 Y C 2.537 178.525 175.900 0.148 0.000 1.137 288 Y CA 2.524 60.690 58.100 0.110 0.000 1.202 288 Y CB 0.029 38.537 38.460 0.080 0.000 0.990 288 Y HN 0.615 nan 8.280 nan 0.000 0.537 289 D N -0.124 120.341 120.400 0.108 0.000 2.104 289 D HA -0.215 4.426 4.640 0.001 0.000 0.194 289 D C 1.759 178.040 176.300 -0.033 0.000 0.994 289 D CA 1.542 55.561 54.000 0.031 0.000 0.830 289 D CB -0.394 40.451 40.800 0.074 0.000 0.959 289 D HN 0.381 nan 8.370 nan 0.000 0.452 290 N N -0.086 118.614 118.700 0.000 0.000 2.188 290 N HA -0.129 4.612 4.740 0.001 0.000 0.184 290 N C 1.729 177.207 175.510 -0.054 0.000 1.018 290 N CA 0.281 53.302 53.050 -0.048 0.000 0.858 290 N CB -0.505 37.958 38.487 -0.040 0.000 0.989 290 N HN 0.170 nan 8.380 nan 0.000 0.426 291 F N 1.958 121.806 119.950 -0.170 0.000 2.126 291 F HA -0.145 4.383 4.527 0.001 0.000 0.299 291 F C 2.178 177.856 175.800 -0.203 0.000 1.096 291 F CA 0.902 58.796 58.000 -0.176 0.000 1.255 291 F CB -0.364 38.537 39.000 -0.165 0.000 0.997 291 F HN -0.231 nan 8.300 nan 0.000 0.479 292 V N 0.409 120.134 119.914 -0.316 0.000 2.407 292 V HA -0.256 3.865 4.120 0.001 0.000 0.248 292 V C 2.433 178.412 176.094 -0.193 0.000 1.055 292 V CA 2.036 64.145 62.300 -0.319 0.000 1.049 292 V CB -0.608 31.024 31.823 -0.320 0.000 0.662 292 V HN 0.297 nan 8.190 nan 0.000 0.455 293 E N -0.227 119.886 120.200 -0.145 0.000 2.085 293 E HA -0.237 4.114 4.350 0.001 0.000 0.194 293 E C 2.136 178.682 176.600 -0.089 0.000 0.994 293 E CA 1.325 57.669 56.400 -0.093 0.000 0.801 293 E CB -0.358 29.285 29.700 -0.095 0.000 0.743 293 E HN 0.503 nan 8.360 nan 0.000 0.453 294 L N 0.889 122.026 121.223 -0.144 0.000 2.017 294 L HA -0.165 4.175 4.340 0.001 0.000 0.208 294 L C 2.341 179.223 176.870 0.020 0.000 1.073 294 L CA 1.444 56.235 54.840 -0.082 0.000 0.745 294 L CB -0.499 41.450 42.059 -0.183 0.000 0.894 294 L HN 0.064 nan 8.230 nan 0.000 0.432 295 L N -0.551 120.588 121.223 -0.141 0.000 2.042 295 L HA -0.208 4.132 4.340 0.001 0.000 0.210 295 L C 2.702 179.564 176.870 -0.014 0.000 1.076 295 L CA 1.245 56.046 54.840 -0.064 0.000 0.749 295 L CB -1.033 40.925 42.059 -0.167 0.000 0.893 295 L HN 0.411 nan 8.230 nan 0.000 0.432 296 A N 0.312 123.126 122.820 -0.009 0.000 1.933 296 A HA -0.106 4.215 4.320 0.001 0.000 0.218 296 A C 2.411 180.065 177.584 0.116 0.000 1.175 296 A CA 1.657 53.734 52.037 0.066 0.000 0.628 296 A CB -1.165 17.859 19.000 0.041 0.000 0.814 296 A HN 0.447 nan 8.150 nan 0.000 0.444 297 G N -0.459 108.395 108.800 0.090 0.000 2.418 297 G HA2 0.010 3.970 3.960 0.001 0.000 0.217 297 G HA3 0.010 3.970 3.960 0.001 0.000 0.217 297 G C 1.752 176.719 174.900 0.111 0.000 1.158 297 G CA 1.404 46.579 45.100 0.124 0.000 0.771 297 G HN 0.777 nan 8.290 nan 0.000 0.545 298 A N 0.413 123.259 122.820 0.044 0.000 1.902 298 A HA -0.122 4.198 4.320 0.001 0.000 0.217 298 A C 2.120 179.715 177.584 0.018 0.000 1.181 298 A CA 2.147 54.124 52.037 -0.100 0.000 0.623 298 A CB -0.813 17.815 19.000 -0.620 0.000 0.818 298 A HN 0.518 nan 8.150 nan 0.000 0.443 299 H N 0.095 119.145 119.070 -0.033 0.000 2.352 299 H HA -0.099 4.457 4.556 0.001 0.000 0.299 299 H C 1.917 177.319 175.328 0.124 0.000 1.097 299 H CA 2.086 58.158 56.048 0.040 0.000 1.311 299 H CB -0.165 29.610 29.762 0.022 0.000 1.377 299 H HN 0.637 nan 8.280 nan 0.000 0.504 300 E N -0.820 119.449 120.200 0.115 0.000 2.085 300 E HA -0.217 4.134 4.350 0.001 0.000 0.194 300 E C 2.100 178.900 176.600 0.334 0.000 0.994 300 E CA 1.358 57.859 56.400 0.168 0.000 0.801 300 E CB -0.134 29.745 29.700 0.299 0.000 0.743 300 E HN 0.406 nan 8.360 nan 0.000 0.453 301 M N 1.272 121.048 119.600 0.293 0.000 2.175 301 M HA -0.115 4.366 4.480 0.001 0.000 0.264 301 M C 1.086 177.588 176.300 0.336 0.000 1.063 301 M CA 1.548 56.979 55.300 0.219 0.000 1.119 301 M CB 0.012 32.586 32.600 -0.043 0.000 1.377 301 M HN -0.112 nan 8.290 nan 0.000 0.415 302 D N -0.130 120.448 120.400 0.297 0.000 2.123 302 D HA -0.194 4.447 4.640 0.001 0.000 0.196 302 D C 2.005 178.381 176.300 0.127 0.000 0.992 302 D CA 1.425 55.656 54.000 0.385 0.000 0.833 302 D CB -0.367 40.688 40.800 0.424 0.000 0.954 302 D HN 0.550 nan 8.370 nan 0.000 0.455 303 Q N -0.630 119.169 119.800 -0.002 0.000 2.084 303 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 303 Q C 2.078 178.084 176.000 0.010 0.000 0.978 303 Q CA 1.358 57.104 55.803 -0.097 0.000 0.844 303 Q CB -0.219 28.421 28.738 -0.164 0.000 0.898 303 Q HN 0.490 nan 8.270 nan 0.000 0.426 304 H N -0.117 119.012 119.070 0.098 0.000 2.319 304 H HA -0.190 4.366 4.556 0.001 0.000 0.299 304 H C 1.704 177.120 175.328 0.146 0.000 1.092 304 H CA 1.801 57.950 56.048 0.168 0.000 1.302 304 H CB -0.232 29.774 29.762 0.407 0.000 1.373 304 H HN 0.248 nan 8.280 nan 0.000 0.497 305 F N 1.037 120.998 119.950 0.018 0.000 2.134 305 F HA -0.148 4.380 4.527 0.001 0.000 0.299 305 F C 2.409 178.075 175.800 -0.224 0.000 1.097 305 F CA 1.617 59.559 58.000 -0.098 0.000 1.264 305 F CB -0.788 38.144 39.000 -0.113 0.000 1.001 305 F HN 0.203 nan 8.300 nan 0.000 0.479 306 V N -1.540 118.096 119.914 -0.463 0.000 2.788 306 V HA -0.049 4.072 4.120 0.001 0.000 0.251 306 V C 1.526 177.371 176.094 -0.414 0.000 1.068 306 V CA 1.913 63.827 62.300 -0.644 0.000 1.090 306 V CB -0.752 30.540 31.823 -0.886 0.000 0.710 306 V HN 0.324 nan 8.190 nan 0.000 0.467 307 N N 0.241 118.756 118.700 -0.308 0.000 2.254 307 N HA 0.113 4.853 4.740 0.001 0.000 0.190 307 N C 0.309 175.682 175.510 -0.230 0.000 1.107 307 N CA 0.557 53.462 53.050 -0.242 0.000 0.869 307 N CB 0.558 38.936 38.487 -0.183 0.000 0.983 307 N HN 0.519 nan 8.380 nan 0.000 0.487 308 T N 2.687 117.077 114.554 -0.273 0.000 2.795 308 T HA 0.367 4.718 4.350 0.001 0.000 0.282 308 T C -2.539 172.039 174.700 -0.203 0.000 0.980 308 T CA -1.385 60.561 62.100 -0.257 0.000 1.012 308 T CB 2.137 70.749 68.868 -0.427 0.000 0.936 308 T HN -0.083 nan 8.240 nan 0.000 0.457 309 P HA 0.084 nan 4.420 nan 0.000 0.267 309 P C 0.621 177.842 177.300 -0.133 0.000 1.200 309 P CA -0.324 62.618 63.100 -0.263 0.000 0.772 309 P CB 0.304 31.853 31.700 -0.251 0.000 0.855 310 F N 0.998 120.801 119.950 -0.245 0.000 2.154 310 F HA -0.178 4.349 4.527 0.001 0.000 0.301 310 F C 1.924 177.458 175.800 -0.443 0.000 1.087 310 F CA 1.522 59.383 58.000 -0.231 0.000 1.274 310 F CB -1.644 37.279 39.000 -0.128 0.000 1.009 310 F HN 0.373 nan 8.300 nan 0.000 0.485 311 E N -0.647 119.210 120.200 -0.573 0.000 2.333 311 E HA -0.098 4.253 4.350 0.001 0.000 0.198 311 E C 1.589 178.065 176.600 -0.208 0.000 1.007 311 E CA 1.142 57.080 56.400 -0.769 0.000 0.845 311 E CB -0.305 29.003 29.700 -0.655 0.000 0.766 311 E HN 0.140 nan 8.360 nan 0.000 0.507 312 S N -0.321 115.326 115.700 -0.088 0.000 2.819 312 S HA 0.109 4.580 4.470 0.001 0.000 0.249 312 S C 0.036 174.715 174.600 0.132 0.000 1.030 312 S CA -0.583 57.642 58.200 0.041 0.000 1.052 312 S CB 0.201 63.409 63.200 0.014 0.000 1.017 312 S HN 0.126 nan 8.310 nan 0.000 0.576 313 N N 2.137 120.906 118.700 0.114 0.000 2.437 313 N HA 0.319 5.060 4.740 0.001 0.000 0.243 313 N C 0.825 176.516 175.510 0.301 0.000 1.041 313 N CA -0.076 53.074 53.050 0.166 0.000 0.940 313 N CB 0.305 38.884 38.487 0.153 0.000 1.133 313 N HN 0.181 nan 8.380 nan 0.000 0.506 314 I N 4.998 125.880 120.570 0.519 0.000 2.127 314 I HA -0.196 3.975 4.170 0.001 0.000 0.241 314 I C -0.740 175.442 176.117 0.109 0.000 1.075 314 I CA 1.172 62.608 61.300 0.227 0.000 1.334 314 I CB -0.937 37.129 38.000 0.111 0.000 1.040 314 I HN 0.460 nan 8.210 nan 0.000 0.405 315 P HA -0.111 nan 4.420 nan 0.000 0.217 315 P C 1.919 179.265 177.300 0.075 0.000 1.150 315 P CA 1.146 64.274 63.100 0.046 0.000 0.832 315 P CB 0.025 31.701 31.700 -0.040 0.000 0.787 316 V N -0.465 119.544 119.914 0.159 0.000 2.307 316 V HA -0.218 3.902 4.120 0.001 0.000 0.245 316 V C 2.346 178.442 176.094 0.002 0.000 1.045 316 V CA 1.567 63.902 62.300 0.059 0.000 1.024 316 V CB -1.063 30.752 31.823 -0.012 0.000 0.651 316 V HN 0.038 nan 8.190 nan 0.000 0.449 317 I N -0.302 120.283 120.570 0.024 0.000 2.163 317 I HA -0.273 3.898 4.170 0.001 0.000 0.243 317 I C 2.363 178.378 176.117 -0.170 0.000 1.085 317 I CA 1.696 62.925 61.300 -0.119 0.000 1.347 317 I CB -0.377 37.446 38.000 -0.295 0.000 1.044 317 I HN 0.242 nan 8.210 nan 0.000 0.408 318 L N 0.423 121.579 121.223 -0.112 0.000 2.046 318 L HA -0.220 4.121 4.340 0.001 0.000 0.208 318 L C 2.873 179.731 176.870 -0.021 0.000 1.077 318 L CA 1.399 56.207 54.840 -0.053 0.000 0.747 318 L CB -0.849 41.181 42.059 -0.048 0.000 0.896 318 L HN 0.264 nan 8.230 nan 0.000 0.432 319 A N 0.201 122.996 122.820 -0.040 0.000 1.902 319 A HA -0.168 4.153 4.320 0.001 0.000 0.217 319 A C 2.266 179.796 177.584 -0.089 0.000 1.181 319 A CA 1.494 53.494 52.037 -0.062 0.000 0.623 319 A CB -0.682 18.264 19.000 -0.090 0.000 0.818 319 A HN 0.356 nan 8.150 nan 0.000 0.443 320 L N -0.665 120.485 121.223 -0.122 0.000 2.056 320 L HA -0.143 4.198 4.340 0.001 0.000 0.207 320 L C 2.482 179.290 176.870 -0.103 0.000 1.078 320 L CA 1.118 55.868 54.840 -0.150 0.000 0.749 320 L CB -0.478 41.416 42.059 -0.275 0.000 0.901 320 L HN 0.371 nan 8.230 nan 0.000 0.433 321 I N -0.140 120.362 120.570 -0.113 0.000 2.208 321 I HA -0.231 3.939 4.170 0.001 0.000 0.245 321 I C 2.614 178.713 176.117 -0.030 0.000 1.097 321 I CA 1.460 62.703 61.300 -0.095 0.000 1.363 321 I CB -0.860 37.122 38.000 -0.029 0.000 1.051 321 I HN 0.296 nan 8.210 nan 0.000 0.413 322 G N 1.150 110.008 108.800 0.097 0.000 2.440 322 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 322 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 322 G C 1.700 176.759 174.900 0.265 0.000 1.154 322 G CA 0.633 45.870 45.100 0.227 0.000 0.767 322 G HN 0.319 nan 8.290 nan 0.000 0.552 323 I N -0.718 119.977 120.570 0.208 0.000 2.226 323 I HA -0.169 4.002 4.170 0.001 0.000 0.245 323 I C 2.534 178.883 176.117 0.387 0.000 1.100 323 I CA 0.985 62.483 61.300 0.329 0.000 1.374 323 I CB -0.230 37.891 38.000 0.202 0.000 1.057 323 I HN 0.431 nan 8.210 nan 0.000 0.413 324 W N 1.124 122.444 121.300 0.034 0.000 2.321 324 W HA -0.312 4.349 4.660 0.001 0.000 0.306 324 W C 2.293 178.910 176.519 0.163 0.000 1.217 324 W CA 1.577 58.940 57.345 0.030 0.000 1.257 324 W CB -0.272 29.038 29.460 -0.250 0.000 1.145 324 W HN 0.141 nan 8.180 nan 0.000 0.509 325 Y N 0.498 120.939 120.300 0.234 0.000 2.220 325 Y HA -0.169 4.382 4.550 0.001 0.000 0.291 325 Y C 2.364 178.305 175.900 0.069 0.000 1.129 325 Y CA 1.839 59.977 58.100 0.063 0.000 1.161 325 Y CB -1.565 36.928 38.460 0.055 0.000 0.997 325 Y HN 0.033 nan 8.280 nan 0.000 0.522 326 N N 0.251 119.125 118.700 0.290 0.000 2.142 326 N HA -0.152 4.589 4.740 0.001 0.000 0.186 326 N C 0.961 176.507 175.510 0.061 0.000 1.023 326 N CA 1.755 54.927 53.050 0.202 0.000 0.852 326 N CB -0.209 38.476 38.487 0.330 0.000 0.998 326 N HN 0.303 nan 8.380 nan 0.000 0.424 327 N N -2.113 116.602 118.700 0.026 0.000 2.322 327 N HA 0.200 4.940 4.740 0.001 0.000 0.181 327 N C 0.159 175.134 175.510 -0.893 0.000 1.088 327 N CA 0.283 53.155 53.050 -0.296 0.000 0.885 327 N CB 0.343 38.709 38.487 -0.200 0.000 1.013 327 N HN 0.192 nan 8.380 nan 0.000 0.472 328 F N -0.982 118.695 119.950 -0.456 0.000 2.549 328 F HA 0.261 4.788 4.527 0.001 0.000 0.275 328 F C 1.960 176.940 175.800 -1.368 0.000 0.990 328 F CA 0.248 57.648 58.000 -0.999 0.000 1.274 328 F CB -0.038 38.294 39.000 -1.113 0.000 1.064 328 F HN 0.131 nan 8.300 nan 0.000 0.715 329 H N -0.044 118.615 119.070 -0.685 0.000 2.547 329 H HA 0.154 4.711 4.556 0.001 0.000 0.272 329 H C 1.724 176.942 175.328 -0.184 0.000 0.989 329 H CA 1.135 56.985 56.048 -0.331 0.000 1.214 329 H CB -0.129 29.611 29.762 -0.036 0.000 1.389 329 H HN 0.430 nan 8.280 nan 0.000 0.577 330 G N 0.908 109.645 108.800 -0.105 0.000 2.160 330 G HA2 -0.273 3.688 3.960 0.001 0.000 0.251 330 G HA3 -0.273 3.688 3.960 0.001 0.000 0.251 330 G C 0.377 175.280 174.900 0.005 0.000 1.008 330 G CA 0.320 45.380 45.100 -0.067 0.000 0.724 330 G HN 0.650 nan 8.290 nan 0.000 0.514 331 A N -0.369 122.486 122.820 0.058 0.000 2.409 331 A HA 0.645 4.966 4.320 0.001 0.000 0.267 331 A C 1.048 178.667 177.584 0.058 0.000 1.127 331 A CA 0.695 52.768 52.037 0.059 0.000 0.795 331 A CB 0.318 19.357 19.000 0.065 0.000 1.061 331 A HN 0.498 nan 8.150 nan 0.000 0.502 332 E N 0.999 121.221 120.200 0.038 0.000 2.385 332 E HA 0.012 4.363 4.350 0.001 0.000 0.194 332 E C 0.673 177.313 176.600 0.067 0.000 1.013 332 E CA 0.836 57.253 56.400 0.028 0.000 0.866 332 E CB 0.197 29.892 29.700 -0.010 0.000 0.832 332 E HN 0.767 nan 8.360 nan 0.000 0.500 333 S N -0.110 115.659 115.700 0.114 0.000 2.667 333 S HA 0.497 4.968 4.470 0.001 0.000 0.292 333 S C -0.834 173.883 174.600 0.195 0.000 1.126 333 S CA -0.955 57.365 58.200 0.200 0.000 0.881 333 S CB 2.417 65.811 63.200 0.324 0.000 1.132 333 S HN -0.053 nan 8.310 nan 0.000 0.492 334 E N -0.156 120.153 120.200 0.182 0.000 2.275 334 E HA 0.618 4.969 4.350 0.001 0.000 0.270 334 E C -1.199 175.283 176.600 -0.196 0.000 0.882 334 E CA -0.971 55.452 56.400 0.039 0.000 0.758 334 E CB 2.238 31.979 29.700 0.067 0.000 1.195 334 E HN 0.875 nan 8.360 nan 0.000 0.419 335 A N 3.801 126.377 122.820 -0.407 0.000 2.305 335 A HA 0.654 4.975 4.320 0.001 0.000 0.322 335 A C -0.484 176.856 177.584 -0.408 0.000 1.187 335 A CA -0.504 51.050 52.037 -0.805 0.000 0.825 335 A CB 0.405 18.746 19.000 -1.098 0.000 1.164 335 A HN 0.592 nan 8.150 nan 0.000 0.498 336 I N 2.759 123.126 120.570 -0.338 0.000 2.382 336 I HA 0.299 4.470 4.170 0.001 0.000 0.286 336 I C -0.938 175.117 176.117 -0.103 0.000 1.002 336 I CA -0.140 61.086 61.300 -0.125 0.000 1.135 336 I CB 1.406 39.387 38.000 -0.031 0.000 1.288 336 I HN 0.479 nan 8.210 nan 0.000 0.448 337 L N 8.331 129.487 121.223 -0.112 0.000 2.457 337 L HA 0.409 4.750 4.340 0.001 0.000 0.252 337 L C -2.603 174.299 176.870 0.054 0.000 1.132 337 L CA -1.648 53.121 54.840 -0.119 0.000 0.938 337 L CB 0.909 42.718 42.059 -0.416 0.000 1.246 337 L HN 0.277 nan 8.230 nan 0.000 0.476 338 P HA 0.102 nan 4.420 nan 0.000 0.281 338 P C -0.884 176.489 177.300 0.122 0.000 1.252 338 P CA -0.120 63.046 63.100 0.109 0.000 0.778 338 P CB 0.395 32.087 31.700 -0.014 0.000 0.895 339 Y N 2.246 122.561 120.300 0.024 0.000 2.767 339 Y HA 0.337 4.887 4.550 0.001 0.000 0.354 339 Y C 0.113 175.999 175.900 -0.022 0.000 1.292 339 Y CA 0.231 58.338 58.100 0.011 0.000 1.749 339 Y CB -0.314 38.169 38.460 0.039 0.000 1.841 339 Y HN 0.345 nan 8.280 nan 0.000 0.454 340 D N -0.306 120.110 120.400 0.027 0.000 2.484 340 D HA 0.068 4.709 4.640 0.001 0.000 0.206 340 D C 0.540 176.838 176.300 -0.003 0.000 1.322 340 D CA -0.254 53.765 54.000 0.032 0.000 0.913 340 D CB 1.011 41.853 40.800 0.070 0.000 1.559 340 D HN 0.086 nan 8.370 nan 0.000 0.565 341 Q N 2.233 121.982 119.800 -0.085 0.000 2.124 341 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 341 Q C 0.843 176.835 176.000 -0.013 0.000 0.977 341 Q CA 1.816 57.548 55.803 -0.118 0.000 0.850 341 Q CB -0.137 28.454 28.738 -0.246 0.000 0.901 341 Q HN 0.690 nan 8.270 nan 0.000 0.429 342 Y N -0.189 120.141 120.300 0.050 0.000 2.256 342 Y HA -0.104 4.447 4.550 0.001 0.000 0.288 342 Y C 1.314 177.281 175.900 0.111 0.000 1.155 342 Y CA 0.774 58.922 58.100 0.079 0.000 1.203 342 Y CB -0.211 38.269 38.460 0.033 0.000 0.980 342 Y HN 0.084 nan 8.280 nan 0.000 0.530 343 L N 0.784 122.134 121.223 0.212 0.000 2.718 343 L HA -0.013 4.328 4.340 0.001 0.000 0.242 343 L C 1.665 178.611 176.870 0.127 0.000 1.203 343 L CA 0.134 55.044 54.840 0.116 0.000 1.011 343 L CB -0.847 41.219 42.059 0.012 0.000 1.250 343 L HN 0.472 nan 8.230 nan 0.000 0.437 344 H N -1.822 117.262 119.070 0.023 0.000 2.518 344 H HA -0.042 4.515 4.556 0.001 0.000 0.289 344 H C 1.620 176.965 175.328 0.028 0.000 1.051 344 H CA 0.598 56.656 56.048 0.017 0.000 1.280 344 H CB 0.069 29.828 29.762 -0.004 0.000 1.380 344 H HN 0.086 nan 8.280 nan 0.000 0.566 345 R N -0.414 119.842 120.500 -0.407 0.000 2.468 345 R HA 0.095 4.436 4.340 0.001 0.000 0.280 345 R C 0.818 177.069 176.300 -0.080 0.000 0.963 345 R CA -0.205 55.710 56.100 -0.309 0.000 1.083 345 R CB -0.752 29.212 30.300 -0.559 0.000 1.200 345 R HN 0.359 nan 8.270 nan 0.000 0.541 346 F N 1.902 121.785 119.950 -0.112 0.000 2.075 346 F HA -0.145 4.383 4.527 0.001 0.000 0.297 346 F C 2.168 178.022 175.800 0.089 0.000 1.113 346 F CA 1.766 59.762 58.000 -0.007 0.000 1.218 346 F CB -0.062 38.962 39.000 0.039 0.000 0.984 346 F HN 0.098 nan 8.300 nan 0.000 0.472 347 A N 0.287 123.213 122.820 0.177 0.000 1.902 347 A HA -0.092 4.229 4.320 0.001 0.000 0.217 347 A C 2.378 179.963 177.584 0.002 0.000 1.181 347 A CA 1.782 53.861 52.037 0.071 0.000 0.623 347 A CB -1.586 17.456 19.000 0.071 0.000 0.818 347 A HN 0.495 nan 8.150 nan 0.000 0.443 348 A N -1.479 121.340 122.820 -0.001 0.000 1.940 348 A HA -0.153 4.168 4.320 0.001 0.000 0.219 348 A C 2.119 179.636 177.584 -0.111 0.000 1.176 348 A CA 1.738 53.756 52.037 -0.032 0.000 0.631 348 A CB -0.814 18.178 19.000 -0.013 0.000 0.814 348 A HN 0.775 nan 8.150 nan 0.000 0.446 349 Y N -0.697 119.417 120.300 -0.309 0.000 2.181 349 Y HA -0.200 4.351 4.550 0.001 0.000 0.288 349 Y C 1.805 177.337 175.900 -0.613 0.000 1.146 349 Y CA 1.919 59.717 58.100 -0.503 0.000 1.164 349 Y CB -0.442 37.597 38.460 -0.701 0.000 0.982 349 Y HN 0.282 nan 8.280 nan 0.000 0.515 350 F N 0.449 120.187 119.950 -0.352 0.000 2.502 350 F HA -0.144 4.384 4.527 0.001 0.000 0.298 350 F C 2.310 177.937 175.800 -0.289 0.000 1.111 350 F CA 0.979 58.743 58.000 -0.394 0.000 1.445 350 F CB -0.276 38.464 39.000 -0.433 0.000 1.081 350 F HN 0.138 nan 8.300 nan 0.000 0.558 351 Q N 0.001 119.730 119.800 -0.117 0.000 2.061 351 Q HA -0.298 4.043 4.340 0.001 0.000 0.204 351 Q C 2.216 178.128 176.000 -0.147 0.000 0.984 351 Q CA 1.912 57.666 55.803 -0.083 0.000 0.846 351 Q CB -0.303 28.401 28.738 -0.057 0.000 0.902 351 Q HN 0.527 nan 8.270 nan 0.000 0.421 352 Q N -0.253 119.381 119.800 -0.277 0.000 2.020 352 Q HA -0.114 4.227 4.340 0.001 0.000 0.198 352 Q C 2.121 177.915 176.000 -0.342 0.000 0.974 352 Q CA 1.367 56.989 55.803 -0.302 0.000 0.829 352 Q CB -0.276 28.238 28.738 -0.373 0.000 0.894 352 Q HN 0.416 nan 8.270 nan 0.000 0.433 353 G N 1.278 109.750 108.800 -0.547 0.000 2.440 353 G HA2 -0.325 3.635 3.960 0.001 0.000 0.218 353 G HA3 -0.325 3.635 3.960 0.001 0.000 0.218 353 G C 1.425 176.255 174.900 -0.116 0.000 1.154 353 G CA 1.047 45.861 45.100 -0.478 0.000 0.767 353 G HN 0.323 nan 8.290 nan 0.000 0.552 354 N N 0.156 118.862 118.700 0.009 0.000 2.182 354 N HA 0.047 4.788 4.740 0.001 0.000 0.186 354 N C 2.459 178.006 175.510 0.061 0.000 1.036 354 N CA 0.954 54.059 53.050 0.092 0.000 0.850 354 N CB -0.213 38.344 38.487 0.117 0.000 1.010 354 N HN 0.290 nan 8.380 nan 0.000 0.432 355 M N 0.596 120.207 119.600 0.018 0.000 2.175 355 M HA -0.060 4.420 4.480 0.001 0.000 0.264 355 M C 2.015 178.320 176.300 0.009 0.000 1.063 355 M CA 1.193 56.505 55.300 0.020 0.000 1.119 355 M CB -0.238 32.364 32.600 0.002 0.000 1.377 355 M HN 0.177 nan 8.290 nan 0.000 0.415 356 E N -0.020 120.164 120.200 -0.027 0.000 2.208 356 E HA -0.113 4.238 4.350 0.001 0.000 0.193 356 E C 1.801 178.410 176.600 0.016 0.000 0.988 356 E CA 1.055 57.443 56.400 -0.019 0.000 0.828 356 E CB 0.264 29.928 29.700 -0.060 0.000 0.763 356 E HN 0.382 nan 8.360 nan 0.000 0.478 357 S N 0.773 116.486 115.700 0.023 0.000 2.345 357 S HA -0.027 4.444 4.470 0.001 0.000 0.219 357 S C 1.344 175.984 174.600 0.067 0.000 1.031 357 S CA 0.904 59.127 58.200 0.039 0.000 0.984 357 S CB -0.014 63.221 63.200 0.059 0.000 0.874 357 S HN 0.273 nan 8.310 nan 0.000 0.451 358 N N 0.742 119.510 118.700 0.114 0.000 2.203 358 N HA 0.175 4.916 4.740 0.001 0.000 0.207 358 N C 0.399 175.970 175.510 0.102 0.000 1.130 358 N CA 0.029 53.185 53.050 0.177 0.000 0.861 358 N CB 0.476 39.180 38.487 0.363 0.000 1.005 358 N HN 0.305 nan 8.380 nan 0.000 0.507 359 G N 1.105 109.946 108.800 0.068 0.000 3.101 359 G HA2 0.163 4.123 3.960 0.001 0.000 0.272 359 G HA3 0.163 4.123 3.960 0.001 0.000 0.272 359 G C 0.134 175.077 174.900 0.071 0.000 0.801 359 G CA -0.052 45.070 45.100 0.036 0.000 1.978 359 G HN -0.132 nan 8.290 nan 0.000 0.591 360 K N 0.657 121.098 120.400 0.069 0.000 2.477 360 K HA 0.306 4.627 4.320 0.001 0.000 0.255 360 K C -0.572 176.095 176.600 0.111 0.000 0.952 360 K CA -0.962 55.398 56.287 0.121 0.000 0.826 360 K CB 2.051 34.616 32.500 0.109 0.000 1.331 360 K HN 0.443 nan 8.250 nan 0.000 0.437 361 Y N -2.076 118.194 120.300 -0.051 0.000 2.610 361 Y HA 0.412 4.963 4.550 0.001 0.000 0.254 361 Y C -0.451 175.384 175.900 -0.109 0.000 1.110 361 Y CA -0.483 57.546 58.100 -0.118 0.000 1.238 361 Y CB 0.781 39.177 38.460 -0.107 0.000 1.322 361 Y HN 0.033 nan 8.280 nan 0.000 0.547 362 V N 3.687 123.324 119.914 -0.461 0.000 2.448 362 V HA 0.267 4.388 4.120 0.001 0.000 0.295 362 V C -0.523 175.465 176.094 -0.176 0.000 1.025 362 V CA -0.884 61.180 62.300 -0.393 0.000 0.859 362 V CB 1.341 32.892 31.823 -0.454 0.000 0.988 362 V HN 0.412 nan 8.190 nan 0.000 0.431 363 D N 4.359 124.670 120.400 -0.149 0.000 2.414 363 D HA 0.148 4.789 4.640 0.001 0.000 0.251 363 D C 1.003 177.205 176.300 -0.163 0.000 1.252 363 D CA -0.494 53.433 54.000 -0.122 0.000 0.999 363 D CB 0.764 41.531 40.800 -0.056 0.000 1.093 363 D HN 0.326 nan 8.370 nan 0.000 0.515 364 R N -0.691 119.627 120.500 -0.303 0.000 2.237 364 R HA -0.009 4.332 4.340 0.001 0.000 0.219 364 R C 0.709 176.980 176.300 -0.048 0.000 1.080 364 R CA 0.601 56.425 56.100 -0.459 0.000 0.995 364 R CB -0.292 29.628 30.300 -0.634 0.000 0.875 364 R HN 0.450 nan 8.270 nan 0.000 0.462 365 N N -0.253 118.428 118.700 -0.031 0.000 2.336 365 N HA 0.019 4.760 4.740 0.001 0.000 0.189 365 N C 0.861 176.384 175.510 0.022 0.000 1.113 365 N CA 0.891 53.952 53.050 0.017 0.000 0.858 365 N CB 1.217 39.703 38.487 -0.001 0.000 0.970 365 N HN 0.363 nan 8.380 nan 0.000 0.471 366 G N 0.838 109.648 108.800 0.017 0.000 2.141 366 G HA2 -0.230 3.731 3.960 0.001 0.000 0.242 366 G HA3 -0.230 3.731 3.960 0.001 0.000 0.242 366 G C -0.250 174.619 174.900 -0.051 0.000 0.982 366 G CA -0.365 44.732 45.100 -0.006 0.000 0.662 366 G HN 0.265 nan 8.290 nan 0.000 0.527 367 N N 1.383 120.047 118.700 -0.060 0.000 2.443 367 N HA 0.511 5.252 4.740 0.001 0.000 0.295 367 N C -2.583 172.861 175.510 -0.110 0.000 1.076 367 N CA -1.461 51.548 53.050 -0.068 0.000 0.919 367 N CB 1.979 40.440 38.487 -0.043 0.000 1.176 367 N HN 0.094 nan 8.380 nan 0.000 0.487 368 P HA -0.022 nan 4.420 nan 0.000 0.268 368 P C 0.192 177.399 177.300 -0.154 0.000 1.204 368 P CA -0.286 62.744 63.100 -0.116 0.000 0.768 368 P CB 0.480 32.171 31.700 -0.014 0.000 0.842 369 V N 0.905 120.666 119.914 -0.256 0.000 2.963 369 V HA 0.277 4.398 4.120 0.001 0.000 0.306 369 V C 1.071 176.905 176.094 -0.435 0.000 1.077 369 V CA 0.514 62.486 62.300 -0.548 0.000 1.124 369 V CB -0.002 31.252 31.823 -0.950 0.000 0.987 369 V HN 0.721 nan 8.190 nan 0.000 0.487 370 T N 0.594 114.881 114.554 -0.445 0.000 3.266 370 T HA 0.482 4.833 4.350 0.001 0.000 0.278 370 T C -0.244 174.421 174.700 -0.057 0.000 1.010 370 T CA 0.068 62.074 62.100 -0.156 0.000 0.909 370 T CB -0.915 67.948 68.868 -0.008 0.000 1.122 370 T HN 1.171 nan 8.240 nan 0.000 0.536 371 Y N -2.239 118.001 120.300 -0.100 0.000 2.670 371 Y HA 0.728 5.279 4.550 0.001 0.000 0.334 371 Y C -0.756 175.046 175.900 -0.163 0.000 1.185 371 Y CA -1.821 56.220 58.100 -0.097 0.000 1.053 371 Y CB 0.681 39.092 38.460 -0.082 0.000 1.298 371 Y HN -0.236 nan 8.280 nan 0.000 0.459 372 Q N 1.809 121.603 119.800 -0.010 0.000 2.327 372 Q HA 0.349 4.690 4.340 0.001 0.000 0.254 372 Q C 0.214 175.903 176.000 -0.520 0.000 0.952 372 Q CA 0.485 56.162 55.803 -0.209 0.000 0.884 372 Q CB 1.811 30.460 28.738 -0.148 0.000 1.224 372 Q HN 1.030 nan 8.270 nan 0.000 0.422 373 T N -1.943 112.213 114.554 -0.663 0.000 2.886 373 T HA 0.526 4.877 4.350 0.001 0.000 0.259 373 T C 0.643 174.734 174.700 -1.015 0.000 1.125 373 T CA -0.229 61.173 62.100 -1.164 0.000 0.988 373 T CB -0.329 68.203 68.868 -0.560 0.000 2.203 373 T HN 0.580 nan 8.240 nan 0.000 0.552 374 G N 2.992 111.477 108.800 -0.524 0.000 2.391 374 G HA2 0.448 4.409 3.960 0.001 0.000 0.234 374 G HA3 0.448 4.409 3.960 0.001 0.000 0.234 374 G C -2.223 172.655 174.900 -0.036 0.000 1.284 374 G CA -0.679 44.365 45.100 -0.092 0.000 0.873 374 G HN 0.701 nan 8.290 nan 0.000 0.549 375 P HA 0.390 nan 4.420 nan 0.000 0.281 375 P C -0.194 177.158 177.300 0.087 0.000 1.281 375 P CA -0.775 62.379 63.100 0.090 0.000 0.811 375 P CB 1.447 33.244 31.700 0.161 0.000 1.154 376 I N 0.978 121.600 120.570 0.087 0.000 2.416 376 I HA 0.161 4.332 4.170 0.001 0.000 0.288 376 I C 0.492 176.726 176.117 0.195 0.000 1.051 376 I CA -0.407 60.952 61.300 0.099 0.000 1.375 376 I CB 0.226 38.258 38.000 0.053 0.000 1.407 376 I HN 0.050 nan 8.210 nan 0.000 0.516 377 I N 7.309 127.978 120.570 0.164 0.000 2.392 377 I HA 0.426 4.597 4.170 0.001 0.000 0.295 377 I C -0.318 175.945 176.117 0.244 0.000 0.985 377 I CA -0.412 60.978 61.300 0.150 0.000 1.221 377 I CB 1.182 39.218 38.000 0.059 0.000 1.366 377 I HN 0.711 nan 8.210 nan 0.000 0.467 378 W N 4.267 125.533 121.300 -0.057 0.000 2.959 378 W HA 0.758 5.419 4.660 0.001 0.000 0.358 378 W C -0.683 175.797 176.519 -0.065 0.000 1.228 378 W CA -1.253 56.044 57.345 -0.080 0.000 1.183 378 W CB 1.076 30.454 29.460 -0.137 0.000 1.467 378 W HN 0.825 nan 8.180 nan 0.000 0.578 379 G N 0.700 109.494 108.800 -0.010 0.000 2.353 379 G HA2 0.346 4.307 3.960 0.001 0.000 0.308 379 G HA3 0.346 4.307 3.960 0.001 0.000 0.308 379 G C -2.037 172.955 174.900 0.154 0.000 1.418 379 G CA -0.909 44.109 45.100 -0.136 0.000 0.966 379 G HN 0.535 nan 8.290 nan 0.000 0.638 380 E N 0.135 120.503 120.200 0.280 0.000 2.367 380 E HA 0.546 4.897 4.350 0.001 0.000 0.273 380 E C -2.622 174.034 176.600 0.094 0.000 0.903 380 E CA -1.469 55.072 56.400 0.235 0.000 0.764 380 E CB 3.115 33.013 29.700 0.330 0.000 1.252 380 E HN 0.378 nan 8.360 nan 0.000 0.446 381 P HA 0.086 nan 4.420 nan 0.000 0.271 381 P C 0.103 177.225 177.300 -0.297 0.000 1.218 381 P CA -0.137 62.909 63.100 -0.089 0.000 0.780 381 P CB 0.537 32.216 31.700 -0.036 0.000 0.901 382 G N 0.748 109.155 108.800 -0.655 0.000 2.467 382 G HA2 0.312 4.273 3.960 0.001 0.000 0.257 382 G HA3 0.312 4.273 3.960 0.001 0.000 0.257 382 G C 1.014 175.477 174.900 -0.729 0.000 1.227 382 G CA -0.333 44.029 45.100 -1.230 0.000 0.835 382 G HN 0.536 nan 8.290 nan 0.000 0.556 383 T N -0.608 113.678 114.554 -0.446 0.000 3.129 383 T HA -0.017 4.334 4.350 0.001 0.000 0.251 383 T C 1.644 176.126 174.700 -0.364 0.000 1.117 383 T CA 0.083 61.922 62.100 -0.436 0.000 1.034 383 T CB -0.076 68.701 68.868 -0.152 0.000 0.968 383 T HN 0.352 nan 8.240 nan 0.000 0.526 384 N N 2.561 121.105 118.700 -0.260 0.000 2.069 384 N HA -0.038 4.703 4.740 0.001 0.000 0.191 384 N C 2.192 177.538 175.510 -0.273 0.000 1.031 384 N CA 1.699 54.654 53.050 -0.159 0.000 0.852 384 N CB -1.075 37.361 38.487 -0.086 0.000 1.018 384 N HN 0.597 nan 8.380 nan 0.000 0.423 385 G N 0.674 109.247 108.800 -0.378 0.000 2.422 385 G HA2 -0.271 3.689 3.960 0.001 0.000 0.218 385 G HA3 -0.271 3.689 3.960 0.001 0.000 0.218 385 G C 1.397 175.572 174.900 -1.208 0.000 1.140 385 G CA 0.580 45.263 45.100 -0.694 0.000 0.775 385 G HN 0.388 nan 8.290 nan 0.000 0.545 386 Q N -0.255 118.781 119.800 -1.273 0.000 2.112 386 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 386 Q C 1.813 177.175 176.000 -1.064 0.000 0.987 386 Q CA 1.310 55.969 55.803 -1.906 0.000 0.858 386 Q CB -0.157 27.778 28.738 -1.338 0.000 0.905 386 Q HN 0.582 nan 8.270 nan 0.000 0.420 387 H N -1.390 117.387 119.070 -0.487 0.000 2.539 387 H HA 0.225 4.781 4.556 0.001 0.000 0.267 387 H C 0.987 176.205 175.328 -0.183 0.000 0.982 387 H CA 0.691 56.586 56.048 -0.254 0.000 1.146 387 H CB 0.532 30.192 29.762 -0.170 0.000 1.382 387 H HN 0.395 nan 8.280 nan 0.000 0.577 388 A N 0.577 123.279 122.820 -0.197 0.000 1.963 388 A HA 0.097 4.418 4.320 0.001 0.000 0.211 388 A C 1.280 178.915 177.584 0.085 0.000 1.380 388 A CA 0.414 52.428 52.037 -0.039 0.000 0.690 388 A CB -0.228 18.787 19.000 0.025 0.000 1.060 388 A HN 0.257 nan 8.150 nan 0.000 0.498 389 F N -4.069 116.016 119.950 0.225 0.000 2.798 389 F HA 0.467 4.995 4.527 0.001 0.000 0.328 389 F C 1.030 177.082 175.800 0.420 0.000 1.098 389 F CA -0.973 57.208 58.000 0.301 0.000 1.172 389 F CB -0.198 39.008 39.000 0.343 0.000 1.072 389 F HN 0.064 nan 8.300 nan 0.000 0.555 390 Y N 1.671 122.041 120.300 0.118 0.000 2.403 390 Y HA -0.140 4.411 4.550 0.001 0.000 0.291 390 Y C 2.654 178.769 175.900 0.358 0.000 1.143 390 Y CA 1.201 59.457 58.100 0.259 0.000 1.257 390 Y CB -0.968 37.620 38.460 0.213 0.000 0.984 390 Y HN 0.323 nan 8.280 nan 0.000 0.550 391 Q N 0.759 120.817 119.800 0.430 0.000 2.133 391 Q HA -0.234 4.107 4.340 0.001 0.000 0.208 391 Q C 2.197 178.372 176.000 0.292 0.000 0.991 391 Q CA 2.061 58.061 55.803 0.328 0.000 0.867 391 Q CB -0.806 28.063 28.738 0.219 0.000 0.911 391 Q HN 0.620 nan 8.270 nan 0.000 0.417 392 L N -0.789 120.606 121.223 0.286 0.000 2.109 392 L HA -0.015 4.326 4.340 0.001 0.000 0.207 392 L C 2.104 179.091 176.870 0.194 0.000 1.086 392 L CA 0.906 55.873 54.840 0.212 0.000 0.760 392 L CB -0.121 42.052 42.059 0.190 0.000 0.910 392 L HN 0.346 nan 8.230 nan 0.000 0.437 393 I N -0.976 119.731 120.570 0.228 0.000 2.226 393 I HA -0.291 3.880 4.170 0.001 0.000 0.245 393 I C 2.360 178.486 176.117 0.016 0.000 1.100 393 I CA 1.001 62.350 61.300 0.081 0.000 1.374 393 I CB -0.652 37.324 38.000 -0.039 0.000 1.057 393 I HN 0.354 nan 8.210 nan 0.000 0.413 394 H N 0.552 119.724 119.070 0.170 0.000 2.403 394 H HA 0.030 4.587 4.556 0.001 0.000 0.298 394 H C 1.170 176.553 175.328 0.091 0.000 1.059 394 H CA 1.120 57.283 56.048 0.193 0.000 1.363 394 H CB 0.269 30.247 29.762 0.360 0.000 1.410 394 H HN 0.472 nan 8.280 nan 0.000 0.528 395 Q N 0.044 119.947 119.800 0.171 0.000 2.086 395 Q HA 0.228 4.569 4.340 0.001 0.000 0.220 395 Q C 0.654 176.682 176.000 0.048 0.000 0.792 395 Q CA -0.335 55.491 55.803 0.038 0.000 1.062 395 Q CB 1.931 30.632 28.738 -0.062 0.000 1.198 395 Q HN 0.207 nan 8.270 nan 0.000 0.466 396 G N 0.363 109.206 108.800 0.071 0.000 2.531 396 G HA2 0.209 4.169 3.960 0.001 0.000 0.281 396 G HA3 0.209 4.169 3.960 0.001 0.000 0.281 396 G C 0.658 175.581 174.900 0.038 0.000 1.382 396 G CA 0.075 45.209 45.100 0.056 0.000 1.045 396 G HN 0.164 nan 8.290 nan 0.000 0.533 397 T N -2.782 111.789 114.554 0.029 0.000 3.129 397 T HA 0.405 4.756 4.350 0.001 0.000 0.267 397 T C 0.239 174.950 174.700 0.020 0.000 1.018 397 T CA -0.236 61.877 62.100 0.021 0.000 0.903 397 T CB 0.182 69.059 68.868 0.015 0.000 1.067 397 T HN 0.170 nan 8.240 nan 0.000 0.549 398 K N 1.287 121.700 120.400 0.022 0.000 2.259 398 K HA 0.669 4.990 4.320 0.001 0.000 0.252 398 K C -1.171 175.441 176.600 0.019 0.000 0.936 398 K CA -0.921 55.377 56.287 0.019 0.000 0.810 398 K CB 1.936 34.444 32.500 0.013 0.000 1.143 398 K HN 0.135 nan 8.250 nan 0.000 0.427 399 L N 4.285 125.513 121.223 0.009 0.000 2.281 399 L HA 0.493 4.833 4.340 0.001 0.000 0.285 399 L C -1.145 175.703 176.870 -0.036 0.000 1.074 399 L CA 0.230 55.050 54.840 -0.033 0.000 0.817 399 L CB 0.116 42.150 42.059 -0.041 0.000 1.168 399 L HN 0.601 nan 8.230 nan 0.000 0.434 400 I N 7.467 128.004 120.570 -0.055 0.000 2.563 400 I HA 0.323 4.493 4.170 0.001 0.000 0.276 400 I C -2.199 173.851 176.117 -0.113 0.000 1.074 400 I CA -1.666 59.629 61.300 -0.009 0.000 1.124 400 I CB 1.272 39.341 38.000 0.116 0.000 1.225 400 I HN 0.501 nan 8.210 nan 0.000 0.482 401 P HA 0.083 nan 4.420 nan 0.000 0.268 401 P C -0.828 176.421 177.300 -0.085 0.000 1.204 401 P CA -0.097 62.876 63.100 -0.211 0.000 0.768 401 P CB 0.493 32.067 31.700 -0.209 0.000 0.842 402 C N 2.657 121.938 119.300 -0.031 0.000 2.455 402 C HA 0.393 4.854 4.460 0.001 0.000 0.320 402 C C -0.332 174.739 174.990 0.136 0.000 1.226 402 C CA -0.338 58.676 59.018 -0.007 0.000 1.569 402 C CB 1.326 29.091 27.740 0.041 0.000 2.200 402 C HN 0.492 nan 8.230 nan 0.000 0.491 403 D N 1.850 122.307 120.400 0.095 0.000 2.392 403 D HA 0.437 5.077 4.640 0.001 0.000 0.228 403 D C -0.703 175.710 176.300 0.188 0.000 1.074 403 D CA 0.016 54.143 54.000 0.211 0.000 0.838 403 D CB 0.512 41.465 40.800 0.254 0.000 1.067 403 D HN 0.260 nan 8.370 nan 0.000 0.511 404 F N 2.272 122.296 119.950 0.123 0.000 2.411 404 F HA 0.435 4.962 4.527 0.001 0.000 0.350 404 F C 0.607 176.638 175.800 0.384 0.000 1.114 404 F CA -0.479 57.642 58.000 0.202 0.000 1.135 404 F CB 0.758 39.699 39.000 -0.098 0.000 1.120 404 F HN 0.112 nan 8.300 nan 0.000 0.495 405 I N 3.215 124.093 120.570 0.515 0.000 2.498 405 I HA 0.773 4.943 4.170 0.001 0.000 0.290 405 I C -0.626 175.564 176.117 0.123 0.000 1.032 405 I CA -0.749 60.736 61.300 0.308 0.000 1.073 405 I CB 1.907 39.973 38.000 0.111 0.000 1.251 405 I HN 0.644 nan 8.210 nan 0.000 0.426 406 A N 7.337 130.051 122.820 -0.176 0.000 2.604 406 A HA 0.894 5.214 4.320 0.001 0.000 0.295 406 A C -3.057 174.376 177.584 -0.252 0.000 1.067 406 A CA -1.301 50.492 52.037 -0.405 0.000 0.683 406 A CB 2.274 20.518 19.000 -1.259 0.000 1.281 406 A HN 0.364 nan 8.150 nan 0.000 0.407 407 P HA 0.473 nan 4.420 nan 0.000 0.290 407 P C 0.489 177.830 177.300 0.069 0.000 1.275 407 P CA 0.021 63.116 63.100 -0.008 0.000 0.841 407 P CB 1.967 33.683 31.700 0.027 0.000 1.042 408 A N 2.989 125.849 122.820 0.067 0.000 1.968 408 A HA 0.089 4.410 4.320 0.001 0.000 0.217 408 A C 0.841 178.502 177.584 0.129 0.000 1.169 408 A CA 1.262 53.380 52.037 0.136 0.000 0.638 408 A CB -0.435 18.627 19.000 0.104 0.000 0.812 408 A HN 0.429 nan 8.150 nan 0.000 0.446 409 V N 0.367 120.255 119.914 -0.045 0.000 2.409 409 V HA 0.431 4.552 4.120 0.001 0.000 0.291 409 V C 0.170 176.020 176.094 -0.407 0.000 1.020 409 V CA -0.588 61.586 62.300 -0.210 0.000 0.848 409 V CB 1.359 33.096 31.823 -0.144 0.000 0.990 409 V HN 0.306 nan 8.190 nan 0.000 0.430 410 S N 2.705 118.019 115.700 -0.643 0.000 2.601 410 S HA 0.272 4.743 4.470 0.001 0.000 0.271 410 S C 1.006 175.429 174.600 -0.295 0.000 1.305 410 S CA -0.415 57.489 58.200 -0.493 0.000 1.022 410 S CB 0.484 63.365 63.200 -0.533 0.000 0.940 410 S HN 0.791 nan 8.310 nan 0.000 0.525 411 H N 2.230 121.272 119.070 -0.047 0.000 2.547 411 H HA 0.170 4.727 4.556 0.001 0.000 0.272 411 H C -0.113 175.201 175.328 -0.023 0.000 0.989 411 H CA 0.470 56.506 56.048 -0.021 0.000 1.214 411 H CB 0.157 29.933 29.762 0.023 0.000 1.389 411 H HN 0.433 nan 8.280 nan 0.000 0.577 412 N N 1.326 120.060 118.700 0.058 0.000 2.476 412 N HA 0.167 4.908 4.740 0.001 0.000 0.257 412 N C -0.363 175.129 175.510 -0.031 0.000 0.970 412 N CA -0.184 52.871 53.050 0.009 0.000 0.938 412 N CB 1.949 40.427 38.487 -0.015 0.000 1.144 412 N HN 0.118 nan 8.380 nan 0.000 0.500 413 L N 2.575 123.787 121.223 -0.019 0.000 2.598 413 L HA 0.317 4.658 4.340 0.001 0.000 0.241 413 L C -0.333 176.546 176.870 0.014 0.000 1.244 413 L CA -0.442 54.392 54.840 -0.009 0.000 1.198 413 L CB 0.025 42.078 42.059 -0.011 0.000 1.448 413 L HN 0.079 nan 8.230 nan 0.000 0.406 414 V N 0.997 120.925 119.914 0.022 0.000 2.328 414 V HA 0.615 4.736 4.120 0.001 0.000 0.278 414 V C 1.132 177.327 176.094 0.168 0.000 1.021 414 V CA -0.175 62.157 62.300 0.053 0.000 0.838 414 V CB 0.649 32.447 31.823 -0.042 0.000 0.999 414 V HN 0.806 nan 8.190 nan 0.000 0.447 415 G N 5.457 114.337 108.800 0.133 0.000 2.627 415 G HA2 -0.324 3.637 3.960 0.001 0.000 0.312 415 G HA3 -0.324 3.637 3.960 0.001 0.000 0.312 415 G C 0.336 175.310 174.900 0.122 0.000 1.299 415 G CA 0.733 45.909 45.100 0.127 0.000 0.989 415 G HN 1.053 nan 8.290 nan 0.000 0.547 416 D N -1.361 119.089 120.400 0.083 0.000 2.463 416 D HA 0.184 4.824 4.640 0.001 0.000 0.224 416 D C 1.316 177.662 176.300 0.076 0.000 1.174 416 D CA 0.465 54.504 54.000 0.065 0.000 0.829 416 D CB -0.529 40.282 40.800 0.018 0.000 0.993 416 D HN 0.675 nan 8.370 nan 0.000 0.497 417 H N 0.004 119.108 119.070 0.057 0.000 2.353 417 H HA -0.173 4.383 4.556 0.001 0.000 0.298 417 H C 1.292 176.671 175.328 0.085 0.000 1.103 417 H CA 1.764 57.847 56.048 0.059 0.000 1.293 417 H CB 0.050 29.844 29.762 0.053 0.000 1.372 417 H HN 0.349 nan 8.280 nan 0.000 0.501 418 H N 0.873 120.029 119.070 0.143 0.000 2.389 418 H HA -0.054 4.503 4.556 0.001 0.000 0.299 418 H C 2.325 177.693 175.328 0.067 0.000 1.081 418 H CA 1.333 57.429 56.048 0.080 0.000 1.345 418 H CB 0.201 29.991 29.762 0.048 0.000 1.393 418 H HN 0.325 nan 8.280 nan 0.000 0.520 419 Q N 0.040 119.890 119.800 0.083 0.000 2.124 419 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 419 Q C 2.091 178.099 176.000 0.013 0.000 0.977 419 Q CA 1.468 57.295 55.803 0.040 0.000 0.850 419 Q CB 0.090 28.869 28.738 0.070 0.000 0.901 419 Q HN 0.444 nan 8.270 nan 0.000 0.429 420 K N 0.307 120.717 120.400 0.017 0.000 2.026 420 K HA -0.164 4.157 4.320 0.001 0.000 0.208 420 K C 2.055 178.666 176.600 0.019 0.000 1.048 420 K CA 0.969 57.265 56.287 0.016 0.000 0.929 420 K CB -0.224 32.273 32.500 -0.005 0.000 0.713 420 K HN 0.062 nan 8.250 nan 0.000 0.439 421 L N 1.034 122.257 121.223 -0.001 0.000 2.012 421 L HA -0.199 4.142 4.340 0.001 0.000 0.210 421 L C 2.077 178.922 176.870 -0.042 0.000 1.073 421 L CA 1.798 56.646 54.840 0.013 0.000 0.748 421 L CB -0.311 41.726 42.059 -0.036 0.000 0.891 421 L HN 0.192 nan 8.230 nan 0.000 0.431 422 M N -0.618 118.847 119.600 -0.224 0.000 2.229 422 M HA -0.115 4.365 4.480 0.001 0.000 0.264 422 M C 2.545 178.753 176.300 -0.152 0.000 1.063 422 M CA 1.652 56.758 55.300 -0.323 0.000 1.114 422 M CB -1.653 30.736 32.600 -0.351 0.000 1.387 422 M HN 0.640 nan 8.290 nan 0.000 0.420 423 S N 0.783 116.507 115.700 0.040 0.000 2.383 423 S HA -0.140 4.331 4.470 0.001 0.000 0.229 423 S C 1.702 176.352 174.600 0.083 0.000 1.030 423 S CA 1.338 59.621 58.200 0.139 0.000 1.002 423 S CB -0.609 62.649 63.200 0.097 0.000 0.829 423 S HN 0.487 nan 8.310 nan 0.000 0.467 424 N N 0.777 119.511 118.700 0.056 0.000 2.171 424 N HA -0.020 4.721 4.740 0.001 0.000 0.184 424 N C 1.475 176.949 175.510 -0.060 0.000 1.021 424 N CA 1.345 54.442 53.050 0.078 0.000 0.854 424 N CB -0.527 38.087 38.487 0.211 0.000 0.994 424 N HN 0.539 nan 8.380 nan 0.000 0.426 425 F N 1.571 121.240 119.950 -0.468 0.000 2.091 425 F HA -0.200 4.328 4.527 0.001 0.000 0.299 425 F C 1.806 177.277 175.800 -0.548 0.000 1.103 425 F CA 1.502 59.002 58.000 -0.833 0.000 1.228 425 F CB -0.357 38.082 39.000 -0.936 0.000 0.984 425 F HN -0.143 nan 8.300 nan 0.000 0.477 426 F N 0.453 120.287 119.950 -0.194 0.000 2.163 426 F HA 0.074 4.602 4.527 0.001 0.000 0.297 426 F C 2.606 178.237 175.800 -0.283 0.000 1.094 426 F CA 0.942 58.777 58.000 -0.276 0.000 1.290 426 F CB -1.646 37.304 39.000 -0.083 0.000 1.017 426 F HN 0.053 nan 8.300 nan 0.000 0.483 427 A N -0.334 122.488 122.820 0.002 0.000 1.930 427 A HA -0.161 4.160 4.320 0.001 0.000 0.217 427 A C 2.220 179.747 177.584 -0.096 0.000 1.175 427 A CA 1.233 53.250 52.037 -0.033 0.000 0.627 427 A CB -0.559 18.443 19.000 0.004 0.000 0.815 427 A HN 0.289 nan 8.150 nan 0.000 0.443 428 Q N -0.307 119.412 119.800 -0.135 0.000 2.079 428 Q HA -0.143 4.197 4.340 0.001 0.000 0.200 428 Q C 2.425 178.232 176.000 -0.322 0.000 0.974 428 Q CA 2.223 57.979 55.803 -0.078 0.000 0.840 428 Q CB -0.959 27.874 28.738 0.158 0.000 0.898 428 Q HN 0.882 nan 8.270 nan 0.000 0.430 429 T N -1.706 112.454 114.554 -0.657 0.000 2.867 429 T HA -0.126 4.224 4.350 0.001 0.000 0.268 429 T C 1.722 176.178 174.700 -0.407 0.000 1.057 429 T CA 1.309 63.009 62.100 -0.667 0.000 1.136 429 T CB -0.068 68.318 68.868 -0.803 0.000 0.874 429 T HN 0.325 nan 8.240 nan 0.000 0.466 430 E N 1.430 121.468 120.200 -0.270 0.000 2.051 430 E HA -0.095 4.255 4.350 0.001 0.000 0.192 430 E C 2.489 179.043 176.600 -0.078 0.000 0.991 430 E CA 1.060 57.392 56.400 -0.113 0.000 0.799 430 E CB -0.462 29.226 29.700 -0.020 0.000 0.748 430 E HN 0.643 nan 8.360 nan 0.000 0.449 431 A N 1.117 123.896 122.820 -0.069 0.000 1.877 431 A HA -0.172 4.149 4.320 0.001 0.000 0.216 431 A C 2.234 179.836 177.584 0.030 0.000 1.186 431 A CA 1.289 53.313 52.037 -0.023 0.000 0.620 431 A CB -0.786 18.212 19.000 -0.003 0.000 0.822 431 A HN 0.311 nan 8.150 nan 0.000 0.443 432 L N -0.839 120.373 121.223 -0.019 0.000 2.042 432 L HA -0.233 4.108 4.340 0.001 0.000 0.210 432 L C 3.099 179.849 176.870 -0.199 0.000 1.076 432 L CA 1.224 55.999 54.840 -0.109 0.000 0.749 432 L CB -0.500 41.406 42.059 -0.255 0.000 0.893 432 L HN 0.464 nan 8.230 nan 0.000 0.432 433 A N -0.455 122.108 122.820 -0.429 0.000 1.872 433 A HA -0.131 4.190 4.320 0.001 0.000 0.214 433 A C 1.801 179.010 177.584 -0.624 0.000 1.187 433 A CA 1.511 53.118 52.037 -0.717 0.000 0.614 433 A CB -0.490 17.659 19.000 -1.418 0.000 0.826 433 A HN 0.361 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 0.410 4.938 4.527 0.001 0.000 0.291 434 F C 1.811 177.616 175.800 0.008 0.000 1.123 434 F CA 0.021 57.999 58.000 -0.036 0.000 1.395 434 F CB -0.787 38.158 39.000 -0.092 0.000 1.121 434 F HN 0.454 nan 8.300 nan 0.000 0.592 435 G N 1.238 110.128 108.800 0.150 0.000 2.578 435 G HA2 -0.317 3.644 3.960 0.001 0.000 0.275 435 G HA3 -0.317 3.644 3.960 0.001 0.000 0.275 435 G C -0.206 174.768 174.900 0.124 0.000 1.271 435 G CA 0.142 45.347 45.100 0.174 0.000 0.941 435 G HN 0.428 nan 8.290 nan 0.000 0.564 436 K N -0.434 120.075 120.400 0.182 0.000 2.616 436 K HA 0.519 4.840 4.320 0.001 0.000 0.255 436 K C 0.284 176.977 176.600 0.155 0.000 0.995 436 K CA 0.116 56.482 56.287 0.132 0.000 0.860 436 K CB 1.091 33.651 32.500 0.100 0.000 1.264 436 K HN 1.230 nan 8.250 nan 0.000 0.451 437 S N 2.321 118.081 115.700 0.100 0.000 2.614 437 S HA 0.351 4.822 4.470 0.001 0.000 0.265 437 S C 1.365 176.004 174.600 0.064 0.000 1.303 437 S CA 0.030 58.278 58.200 0.079 0.000 1.000 437 S CB 1.539 64.773 63.200 0.056 0.000 0.935 437 S HN 0.691 nan 8.310 nan 0.000 0.551 438 A N 0.553 123.399 122.820 0.043 0.000 1.940 438 A HA -0.149 4.171 4.320 0.001 0.000 0.219 438 A C 2.300 179.899 177.584 0.025 0.000 1.176 438 A CA 1.797 53.849 52.037 0.026 0.000 0.631 438 A CB -1.212 17.791 19.000 0.006 0.000 0.814 438 A HN 0.967 nan 8.150 nan 0.000 0.446 439 Q N -0.561 119.254 119.800 0.024 0.000 2.050 439 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 439 Q C 2.208 178.221 176.000 0.022 0.000 0.980 439 Q CA 1.700 57.514 55.803 0.020 0.000 0.840 439 Q CB -0.336 28.412 28.738 0.017 0.000 0.898 439 Q HN 0.610 nan 8.270 nan 0.000 0.424 440 A N -0.138 122.699 122.820 0.028 0.000 1.898 440 A HA -0.114 4.207 4.320 0.001 0.000 0.216 440 A C 2.198 179.802 177.584 0.032 0.000 1.181 440 A CA 1.470 53.523 52.037 0.026 0.000 0.620 440 A CB -0.685 18.332 19.000 0.029 0.000 0.819 440 A HN 0.305 nan 8.150 nan 0.000 0.442 441 V N 0.063 120.004 119.914 0.046 0.000 2.343 441 V HA -0.312 3.809 4.120 0.001 0.000 0.247 441 V C 2.728 178.846 176.094 0.039 0.000 1.051 441 V CA 2.305 64.636 62.300 0.053 0.000 1.036 441 V CB -0.852 31.014 31.823 0.072 0.000 0.654 441 V HN 0.785 nan 8.190 nan 0.000 0.451 442 Q N 0.082 119.900 119.800 0.031 0.000 2.084 442 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 442 Q C 2.231 178.243 176.000 0.020 0.000 0.978 442 Q CA 2.054 57.872 55.803 0.024 0.000 0.844 442 Q CB -0.315 28.433 28.738 0.017 0.000 0.898 442 Q HN 0.622 nan 8.270 nan 0.000 0.426 443 A N 0.751 123.582 122.820 0.018 0.000 1.933 443 A HA -0.249 4.072 4.320 0.001 0.000 0.218 443 A C 1.899 179.491 177.584 0.014 0.000 1.175 443 A CA 1.664 53.709 52.037 0.013 0.000 0.628 443 A CB -0.690 18.317 19.000 0.010 0.000 0.814 443 A HN 0.655 nan 8.150 nan 0.000 0.444 444 E N -0.633 119.577 120.200 0.018 0.000 2.072 444 E HA -0.175 4.175 4.350 0.001 0.000 0.191 444 E C 1.735 178.346 176.600 0.019 0.000 0.985 444 E CA 1.130 57.541 56.400 0.017 0.000 0.801 444 E CB -0.146 29.567 29.700 0.022 0.000 0.750 444 E HN 0.408 nan 8.360 nan 0.000 0.452 445 L N 1.379 122.616 121.223 0.024 0.000 2.093 445 L HA -0.122 4.219 4.340 0.001 0.000 0.208 445 L C 2.143 179.025 176.870 0.019 0.000 1.085 445 L CA 1.614 56.469 54.840 0.025 0.000 0.755 445 L CB -0.474 41.604 42.059 0.031 0.000 0.904 445 L HN 0.148 nan 8.230 nan 0.000 0.435 446 E N -0.555 119.655 120.200 0.017 0.000 2.077 446 E HA -0.274 4.077 4.350 0.001 0.000 0.193 446 E C 2.138 178.744 176.600 0.011 0.000 0.989 446 E CA 1.163 57.571 56.400 0.013 0.000 0.800 446 E CB -0.118 29.589 29.700 0.011 0.000 0.746 446 E HN 0.346 nan 8.360 nan 0.000 0.452 447 K N 0.564 120.970 120.400 0.010 0.000 2.147 447 K HA -0.077 4.243 4.320 0.001 0.000 0.205 447 K C 1.729 178.333 176.600 0.008 0.000 1.049 447 K CA 1.023 57.315 56.287 0.007 0.000 0.936 447 K CB 0.002 32.506 32.500 0.006 0.000 0.722 447 K HN 0.054 nan 8.250 nan 0.000 0.446 448 A N 0.054 122.881 122.820 0.010 0.000 2.259 448 A HA 0.191 4.511 4.320 0.001 0.000 0.208 448 A C 1.140 178.730 177.584 0.010 0.000 1.201 448 A CA 0.754 52.797 52.037 0.011 0.000 0.824 448 A CB -0.377 18.631 19.000 0.014 0.000 0.838 448 A HN 0.521 nan 8.150 nan 0.000 0.485 449 G N -0.613 108.193 108.800 0.010 0.000 2.132 449 G HA2 -0.217 3.743 3.960 0.001 0.000 0.234 449 G HA3 -0.217 3.743 3.960 0.001 0.000 0.234 449 G C 0.029 174.936 174.900 0.011 0.000 0.989 449 G CA 0.244 45.350 45.100 0.009 0.000 0.676 449 G HN 0.386 nan 8.290 nan 0.000 0.522 450 K N 1.234 121.643 120.400 0.014 0.000 2.202 450 K HA 0.552 4.873 4.320 0.001 0.000 0.264 450 K C 1.094 177.703 176.600 0.016 0.000 1.010 450 K CA 0.306 56.603 56.287 0.017 0.000 0.940 450 K CB 1.195 33.708 32.500 0.022 0.000 0.983 450 K HN 0.654 nan 8.250 nan 0.000 0.475 451 S N -0.133 115.577 115.700 0.016 0.000 2.645 451 S HA 0.358 4.829 4.470 0.001 0.000 0.266 451 S C 1.284 175.894 174.600 0.017 0.000 1.258 451 S CA -0.156 58.053 58.200 0.015 0.000 0.990 451 S CB 1.262 64.471 63.200 0.014 0.000 0.967 451 S HN 0.530 nan 8.310 nan 0.000 0.556 452 A N 1.311 124.140 122.820 0.015 0.000 1.933 452 A HA 0.132 4.453 4.320 0.001 0.000 0.218 452 A C 2.373 179.968 177.584 0.019 0.000 1.175 452 A CA 1.834 53.880 52.037 0.015 0.000 0.628 452 A CB -1.700 17.307 19.000 0.012 0.000 0.814 452 A HN 1.331 nan 8.150 nan 0.000 0.444 453 A N -0.166 122.666 122.820 0.019 0.000 1.877 453 A HA -0.183 4.138 4.320 0.001 0.000 0.216 453 A C 1.927 179.530 177.584 0.031 0.000 1.186 453 A CA 1.659 53.710 52.037 0.023 0.000 0.620 453 A CB -0.547 18.465 19.000 0.020 0.000 0.822 453 A HN 0.636 nan 8.150 nan 0.000 0.443 454 E N -0.392 119.826 120.200 0.030 0.000 2.077 454 E HA -0.151 4.200 4.350 0.001 0.000 0.193 454 E C 1.901 178.528 176.600 0.046 0.000 0.989 454 E CA 1.196 57.618 56.400 0.037 0.000 0.800 454 E CB -0.286 29.432 29.700 0.030 0.000 0.746 454 E HN 0.696 nan 8.360 nan 0.000 0.452 455 I N 1.050 121.642 120.570 0.037 0.000 2.179 455 I HA -0.263 3.908 4.170 0.001 0.000 0.242 455 I C 2.535 178.675 176.117 0.038 0.000 1.088 455 I CA 0.955 62.277 61.300 0.037 0.000 1.357 455 I CB -0.270 37.746 38.000 0.026 0.000 1.051 455 I HN 0.083 nan 8.210 nan 0.000 0.409 456 A N 0.529 123.369 122.820 0.033 0.000 1.972 456 A HA -0.116 4.205 4.320 0.001 0.000 0.219 456 A C 2.453 180.070 177.584 0.055 0.000 1.169 456 A CA 1.767 53.822 52.037 0.029 0.000 0.635 456 A CB -0.653 18.361 19.000 0.023 0.000 0.810 456 A HN 0.446 nan 8.150 nan 0.000 0.446 457 A N -1.184 121.687 122.820 0.083 0.000 2.016 457 A HA 0.282 4.602 4.320 0.001 0.000 0.217 457 A C 1.990 179.722 177.584 0.247 0.000 1.162 457 A CA 1.214 53.338 52.037 0.144 0.000 0.662 457 A CB -0.217 18.843 19.000 0.100 0.000 0.812 457 A HN 0.445 nan 8.150 nan 0.000 0.450 458 L N -1.842 119.493 121.223 0.187 0.000 2.547 458 L HA 0.056 4.397 4.340 0.001 0.000 0.218 458 L C 2.225 179.210 176.870 0.191 0.000 1.048 458 L CA 0.177 55.164 54.840 0.245 0.000 0.859 458 L CB -0.100 42.044 42.059 0.141 0.000 1.128 458 L HN 0.127 nan 8.230 nan 0.000 0.483 459 V N 1.371 121.335 119.914 0.084 0.000 2.278 459 V HA -0.211 3.909 4.120 0.001 0.000 0.251 459 V C -0.362 175.712 176.094 -0.034 0.000 1.062 459 V CA 2.325 64.646 62.300 0.034 0.000 1.038 459 V CB -1.540 30.291 31.823 0.014 0.000 0.646 459 V HN 0.299 nan 8.190 nan 0.000 0.447 460 P HA -0.141 nan 4.420 nan 0.000 0.216 460 P C 1.429 178.498 177.300 -0.385 0.000 1.150 460 P CA 1.601 64.490 63.100 -0.352 0.000 0.843 460 P CB -0.155 31.179 31.700 -0.610 0.000 0.787 461 F N -0.428 119.505 119.950 -0.029 0.000 2.558 461 F HA 0.055 4.582 4.527 0.001 0.000 0.298 461 F C 1.823 177.572 175.800 -0.085 0.000 1.119 461 F CA 0.978 58.946 58.000 -0.053 0.000 1.451 461 F CB -0.663 38.319 39.000 -0.030 0.000 1.091 461 F HN -0.133 nan 8.300 nan 0.000 0.563 462 K N -0.052 120.402 120.400 0.091 0.000 2.374 462 K HA 0.195 4.516 4.320 0.001 0.000 0.196 462 K C 0.100 176.752 176.600 0.087 0.000 1.023 462 K CA 0.049 56.393 56.287 0.095 0.000 1.103 462 K CB 0.572 33.159 32.500 0.146 0.000 0.848 462 K HN -0.039 nan 8.250 nan 0.000 0.528 463 V N 1.950 121.854 119.914 -0.016 0.000 2.583 463 V HA 0.139 4.260 4.120 0.001 0.000 0.287 463 V C -0.291 175.749 176.094 -0.090 0.000 1.051 463 V CA -0.106 62.214 62.300 0.033 0.000 1.010 463 V CB 0.330 32.148 31.823 -0.008 0.000 0.988 463 V HN 0.037 nan 8.190 nan 0.000 0.478 464 F N 3.109 123.085 119.950 0.043 0.000 2.375 464 F HA 0.407 4.935 4.527 0.001 0.000 0.361 464 F C 1.334 177.170 175.800 0.060 0.000 1.117 464 F CA -0.455 57.583 58.000 0.064 0.000 1.037 464 F CB 1.517 40.558 39.000 0.069 0.000 1.192 464 F HN 0.491 nan 8.300 nan 0.000 0.452 465 E N 2.227 122.518 120.200 0.152 0.000 2.204 465 E HA 0.042 4.393 4.350 0.001 0.000 0.194 465 E C 1.642 178.318 176.600 0.127 0.000 0.989 465 E CA 0.910 57.376 56.400 0.111 0.000 0.824 465 E CB -0.263 29.474 29.700 0.062 0.000 0.756 465 E HN 0.922 nan 8.360 nan 0.000 0.477 466 G N 1.870 110.765 108.800 0.158 0.000 2.598 466 G HA2 -0.360 3.600 3.960 0.001 0.000 0.244 466 G HA3 -0.360 3.600 3.960 0.001 0.000 0.244 466 G C 0.073 174.996 174.900 0.040 0.000 1.302 466 G CA -0.009 45.151 45.100 0.101 0.000 0.903 466 G HN 0.217 nan 8.290 nan 0.000 0.575 467 N N -1.435 117.259 118.700 -0.009 0.000 2.725 467 N HA -0.169 4.571 4.740 0.001 0.000 0.249 467 N C 0.302 175.783 175.510 -0.049 0.000 1.103 467 N CA 1.874 54.916 53.050 -0.014 0.000 0.707 467 N CB -0.487 38.025 38.487 0.041 0.000 1.043 467 N HN 0.756 nan 8.380 nan 0.000 0.553 468 R N 1.024 121.470 120.500 -0.090 0.000 2.198 468 R HA 0.359 4.699 4.340 0.001 0.000 0.339 468 R C -2.022 174.180 176.300 -0.162 0.000 1.020 468 R CA -1.507 54.517 56.100 -0.126 0.000 0.864 468 R CB 0.845 31.067 30.300 -0.130 0.000 1.105 468 R HN 0.120 nan 8.270 nan 0.000 0.463 469 P HA 0.239 nan 4.420 nan 0.000 0.282 469 P C -0.888 176.359 177.300 -0.088 0.000 1.249 469 P CA -0.376 62.654 63.100 -0.117 0.000 0.806 469 P CB 1.657 33.294 31.700 -0.106 0.000 0.984 470 T N -1.066 113.478 114.554 -0.018 0.000 2.868 470 T HA 0.459 4.809 4.350 0.001 0.000 0.306 470 T C -0.610 174.163 174.700 0.122 0.000 1.224 470 T CA -0.916 61.209 62.100 0.042 0.000 1.012 470 T CB 1.166 69.986 68.868 -0.080 0.000 1.221 470 T HN 0.230 nan 8.240 nan 0.000 0.499 471 N N 0.795 119.608 118.700 0.189 0.000 2.405 471 N HA 0.607 5.348 4.740 0.001 0.000 0.299 471 N C -1.087 174.552 175.510 0.216 0.000 1.075 471 N CA -0.608 52.577 53.050 0.225 0.000 0.884 471 N CB 2.079 40.719 38.487 0.254 0.000 1.194 471 N HN 0.637 nan 8.380 nan 0.000 0.491 472 S N 1.368 117.192 115.700 0.206 0.000 2.552 472 S HA 0.543 5.014 4.470 0.001 0.000 0.314 472 S C -0.022 174.773 174.600 0.326 0.000 1.099 472 S CA -0.583 57.756 58.200 0.233 0.000 1.070 472 S CB 0.671 63.925 63.200 0.091 0.000 0.998 472 S HN 0.335 nan 8.310 nan 0.000 0.474 473 I N 3.851 124.645 120.570 0.374 0.000 2.354 473 I HA 0.361 4.532 4.170 0.001 0.000 0.286 473 I C -0.975 175.313 176.117 0.285 0.000 1.007 473 I CA -0.681 60.789 61.300 0.283 0.000 1.167 473 I CB 1.293 39.414 38.000 0.203 0.000 1.320 473 I HN 0.344 nan 8.210 nan 0.000 0.458 474 L N 8.775 130.151 121.223 0.255 0.000 2.287 474 L HA 0.614 4.955 4.340 0.001 0.000 0.287 474 L C -0.626 176.319 176.870 0.125 0.000 1.022 474 L CA -0.295 54.650 54.840 0.175 0.000 0.814 474 L CB 1.537 43.752 42.059 0.261 0.000 1.217 474 L HN 0.268 nan 8.230 nan 0.000 0.420 475 V N 5.244 125.198 119.914 0.066 0.000 2.667 475 V HA 0.367 4.488 4.120 0.001 0.000 0.308 475 V C 1.124 177.254 176.094 0.060 0.000 1.048 475 V CA -0.793 61.550 62.300 0.070 0.000 0.928 475 V CB 1.548 33.401 31.823 0.050 0.000 1.004 475 V HN 0.853 nan 8.190 nan 0.000 0.444 476 K N 1.767 122.207 120.400 0.067 0.000 2.009 476 K HA -0.090 4.231 4.320 0.001 0.000 0.210 476 K C 0.679 177.291 176.600 0.020 0.000 1.049 476 K CA 1.671 57.989 56.287 0.050 0.000 0.929 476 K CB 0.173 32.704 32.500 0.051 0.000 0.714 476 K HN 0.746 nan 8.250 nan 0.000 0.440 477 Q N -0.183 119.633 119.800 0.025 0.000 2.426 477 Q HA 0.228 4.569 4.340 0.001 0.000 0.278 477 Q C -1.635 174.411 176.000 0.076 0.000 1.007 477 Q CA -0.770 55.034 55.803 0.002 0.000 0.850 477 Q CB 1.418 30.123 28.738 -0.055 0.000 1.427 477 Q HN 0.060 nan 8.270 nan 0.000 0.391 478 I N 3.985 124.634 120.570 0.132 0.000 2.347 478 I HA 0.183 4.353 4.170 0.001 0.000 0.294 478 I C 0.500 176.786 176.117 0.282 0.000 1.090 478 I CA 0.457 61.858 61.300 0.169 0.000 1.314 478 I CB -0.440 37.658 38.000 0.162 0.000 1.423 478 I HN 0.727 nan 8.210 nan 0.000 0.503 479 T N 4.085 118.720 114.554 0.134 0.000 2.926 479 T HA 0.520 4.870 4.350 0.001 0.000 0.289 479 T C -2.123 172.461 174.700 -0.193 0.000 1.054 479 T CA -1.888 60.214 62.100 0.003 0.000 1.015 479 T CB 2.220 71.119 68.868 0.052 0.000 1.167 479 T HN 0.122 nan 8.240 nan 0.000 0.526 480 P HA -0.048 nan 4.420 nan 0.000 0.216 480 P C 1.610 178.841 177.300 -0.116 0.000 1.150 480 P CA 0.919 63.844 63.100 -0.292 0.000 0.837 480 P CB 0.081 31.565 31.700 -0.361 0.000 0.786 481 R N -0.184 120.269 120.500 -0.077 0.000 2.066 481 R HA -0.112 4.229 4.340 0.001 0.000 0.232 481 R C 2.122 178.456 176.300 0.056 0.000 1.131 481 R CA 2.394 58.499 56.100 0.009 0.000 0.955 481 R CB -0.978 29.338 30.300 0.027 0.000 0.851 481 R HN 0.230 nan 8.270 nan 0.000 0.432 482 T N -0.458 114.128 114.554 0.053 0.000 2.867 482 T HA -0.134 4.217 4.350 0.001 0.000 0.268 482 T C 1.866 176.606 174.700 0.067 0.000 1.057 482 T CA 0.984 63.130 62.100 0.076 0.000 1.136 482 T CB -0.287 68.629 68.868 0.078 0.000 0.874 482 T HN 0.201 nan 8.240 nan 0.000 0.466 483 L N 2.247 123.499 121.223 0.048 0.000 2.046 483 L HA 0.245 4.586 4.340 0.001 0.000 0.208 483 L C 2.699 179.661 176.870 0.154 0.000 1.077 483 L CA 2.039 56.924 54.840 0.075 0.000 0.747 483 L CB -1.273 40.795 42.059 0.015 0.000 0.896 483 L HN 0.375 nan 8.230 nan 0.000 0.432 484 G N -0.928 107.961 108.800 0.150 0.000 2.418 484 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 484 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 484 G C 1.387 176.412 174.900 0.207 0.000 1.158 484 G CA 1.028 46.297 45.100 0.282 0.000 0.771 484 G HN 0.593 nan 8.290 nan 0.000 0.545 485 N N 0.144 118.907 118.700 0.105 0.000 2.036 485 N HA -0.084 4.657 4.740 0.001 0.000 0.195 485 N C 2.201 177.687 175.510 -0.039 0.000 1.037 485 N CA 1.040 54.072 53.050 -0.030 0.000 0.855 485 N CB -0.223 38.213 38.487 -0.085 0.000 1.033 485 N HN 0.247 nan 8.380 nan 0.000 0.423 486 L N 0.762 122.030 121.223 0.075 0.000 2.056 486 L HA -0.127 4.214 4.340 0.001 0.000 0.207 486 L C 2.176 179.283 176.870 0.394 0.000 1.078 486 L CA 0.947 55.890 54.840 0.171 0.000 0.749 486 L CB -0.410 41.787 42.059 0.230 0.000 0.901 486 L HN 0.217 nan 8.230 nan 0.000 0.433 487 I N -0.089 120.779 120.570 0.497 0.000 2.202 487 I HA -0.259 3.912 4.170 0.001 0.000 0.242 487 I C 2.812 179.253 176.117 0.539 0.000 1.091 487 I CA 1.177 62.882 61.300 0.675 0.000 1.368 487 I CB -0.507 37.823 38.000 0.549 0.000 1.058 487 I HN 0.179 nan 8.210 nan 0.000 0.410 488 A N 0.551 123.553 122.820 0.303 0.000 1.933 488 A HA -0.253 4.068 4.320 0.001 0.000 0.218 488 A C 2.424 179.938 177.584 -0.117 0.000 1.175 488 A CA 1.716 53.755 52.037 0.004 0.000 0.628 488 A CB -0.658 18.276 19.000 -0.109 0.000 0.814 488 A HN 0.465 nan 8.150 nan 0.000 0.444 489 M N -1.720 117.839 119.600 -0.068 0.000 2.080 489 M HA -0.212 4.269 4.480 0.001 0.000 0.260 489 M C 1.986 178.175 176.300 -0.186 0.000 1.068 489 M CA 2.015 57.208 55.300 -0.178 0.000 1.109 489 M CB -0.291 32.121 32.600 -0.313 0.000 1.342 489 M HN 0.485 nan 8.290 nan 0.000 0.405 490 Y N 0.851 121.115 120.300 -0.061 0.000 2.242 490 Y HA -0.156 4.395 4.550 0.001 0.000 0.291 490 Y C 2.267 178.169 175.900 0.004 0.000 1.137 490 Y CA 1.674 59.659 58.100 -0.192 0.000 1.181 490 Y CB -0.558 37.405 38.460 -0.828 0.000 0.989 490 Y HN 0.372 nan 8.280 nan 0.000 0.527 491 E N -0.791 119.589 120.200 0.300 0.000 2.070 491 E HA -0.251 4.100 4.350 0.001 0.000 0.197 491 E C 1.872 178.589 176.600 0.194 0.000 1.004 491 E CA 1.573 58.171 56.400 0.330 0.000 0.805 491 E CB -0.223 29.630 29.700 0.255 0.000 0.744 491 E HN 0.573 nan 8.360 nan 0.000 0.451 492 H N 0.387 119.472 119.070 0.025 0.000 2.428 492 H HA -0.018 4.539 4.556 0.001 0.000 0.296 492 H C 1.999 177.253 175.328 -0.125 0.000 1.062 492 H CA 0.984 56.856 56.048 -0.293 0.000 1.350 492 H CB -0.120 28.978 29.762 -1.106 0.000 1.403 492 H HN 0.106 nan 8.280 nan 0.000 0.533 493 K N 1.082 121.505 120.400 0.039 0.000 2.032 493 K HA -0.136 4.185 4.320 0.001 0.000 0.209 493 K C 2.129 178.790 176.600 0.102 0.000 1.048 493 K CA 1.435 57.753 56.287 0.052 0.000 0.927 493 K CB -0.190 32.336 32.500 0.043 0.000 0.712 493 K HN 0.138 nan 8.250 nan 0.000 0.441 494 I N 0.534 121.213 120.570 0.181 0.000 2.208 494 I HA -0.276 3.895 4.170 0.001 0.000 0.245 494 I C 2.318 178.556 176.117 0.201 0.000 1.097 494 I CA 1.205 62.625 61.300 0.199 0.000 1.363 494 I CB -0.339 37.831 38.000 0.284 0.000 1.051 494 I HN 0.197 nan 8.210 nan 0.000 0.413 495 F N 1.300 121.364 119.950 0.189 0.000 2.095 495 F HA -0.219 4.309 4.527 0.001 0.000 0.298 495 F C 2.360 178.262 175.800 0.169 0.000 1.104 495 F CA 1.703 59.857 58.000 0.256 0.000 1.232 495 F CB -0.507 38.755 39.000 0.436 0.000 0.987 495 F HN -0.225 nan 8.300 nan 0.000 0.475 496 V N 0.703 120.682 119.914 0.108 0.000 2.287 496 V HA -0.349 3.771 4.120 0.001 0.000 0.248 496 V C 2.374 178.298 176.094 -0.283 0.000 1.053 496 V CA 2.366 64.622 62.300 -0.073 0.000 1.027 496 V CB -0.928 30.922 31.823 0.045 0.000 0.646 496 V HN 0.431 nan 8.190 nan 0.000 0.447 497 Q N -0.016 119.586 119.800 -0.331 0.000 2.084 497 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 497 Q C 2.405 178.031 176.000 -0.624 0.000 0.978 497 Q CA 1.710 57.064 55.803 -0.748 0.000 0.844 497 Q CB -0.567 27.634 28.738 -0.894 0.000 0.898 497 Q HN 0.726 nan 8.270 nan 0.000 0.426 498 G N 0.222 108.885 108.800 -0.228 0.000 2.422 498 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 498 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 498 G C 1.513 176.343 174.900 -0.116 0.000 1.146 498 G CA 0.736 45.820 45.100 -0.026 0.000 0.769 498 G HN 0.185 nan 8.290 nan 0.000 0.547 499 V N 1.227 120.960 119.914 -0.302 0.000 2.261 499 V HA -0.156 3.965 4.120 0.001 0.000 0.246 499 V C 2.782 178.782 176.094 -0.157 0.000 1.047 499 V CA 1.635 63.773 62.300 -0.269 0.000 1.015 499 V CB -0.400 31.190 31.823 -0.387 0.000 0.642 499 V HN 0.390 nan 8.190 nan 0.000 0.446 500 I N -1.343 119.102 120.570 -0.207 0.000 2.286 500 I HA -0.232 3.939 4.170 0.001 0.000 0.248 500 I C 2.221 178.312 176.117 -0.044 0.000 1.115 500 I CA 1.433 62.642 61.300 -0.153 0.000 1.392 500 I CB -0.382 37.489 38.000 -0.215 0.000 1.065 500 I HN 0.414 nan 8.210 nan 0.000 0.418 501 W N 1.043 122.339 121.300 -0.007 0.000 2.961 501 W HA -0.012 4.649 4.660 0.001 0.000 0.240 501 W C 0.979 177.535 176.519 0.062 0.000 1.305 501 W CA 0.303 57.680 57.345 0.054 0.000 1.465 501 W CB -1.479 28.082 29.460 0.168 0.000 1.135 501 W HN 0.339 nan 8.180 nan 0.000 0.688 502 N N 0.647 119.429 118.700 0.135 0.000 2.758 502 N HA -0.224 4.517 4.740 0.001 0.000 0.248 502 N C -0.388 175.092 175.510 -0.049 0.000 1.076 502 N CA 1.239 54.297 53.050 0.013 0.000 0.696 502 N CB -1.586 36.914 38.487 0.021 0.000 0.979 502 N HN 0.339 nan 8.380 nan 0.000 0.550 503 I N -4.830 115.721 120.570 -0.032 0.000 3.170 503 I HA 0.702 4.873 4.170 0.001 0.000 0.312 503 I C -0.456 175.557 176.117 -0.172 0.000 1.085 503 I CA -1.156 60.086 61.300 -0.096 0.000 0.999 503 I CB 0.944 38.994 38.000 0.083 0.000 1.233 503 I HN -0.192 nan 8.210 nan 0.000 0.467 504 F N 1.401 121.419 119.950 0.114 0.000 2.334 504 F HA 0.384 4.912 4.527 0.001 0.000 0.367 504 F C 1.222 177.059 175.800 0.062 0.000 1.115 504 F CA -0.279 57.801 58.000 0.134 0.000 1.116 504 F CB 1.406 40.513 39.000 0.179 0.000 1.230 504 F HN 0.426 nan 8.300 nan 0.000 0.484 505 S N 2.246 117.998 115.700 0.087 0.000 2.562 505 S HA 0.012 4.483 4.470 0.001 0.000 0.221 505 S C 1.069 175.389 174.600 -0.468 0.000 0.975 505 S CA 0.507 58.529 58.200 -0.297 0.000 0.918 505 S CB -0.199 62.600 63.200 -0.668 0.000 0.772 505 S HN 0.489 nan 8.310 nan 0.000 0.531 506 F N 1.422 121.554 119.950 0.303 0.000 2.682 506 F HA 0.287 4.815 4.527 0.001 0.000 0.308 506 F C 0.529 176.417 175.800 0.146 0.000 1.093 506 F CA -1.070 57.078 58.000 0.246 0.000 1.244 506 F CB 0.105 39.242 39.000 0.228 0.000 1.052 506 F HN 0.085 nan 8.300 nan 0.000 0.573 507 D N -0.420 120.095 120.400 0.192 0.000 2.494 507 D HA 0.389 5.029 4.640 0.001 0.000 0.259 507 D C -0.086 176.177 176.300 -0.063 0.000 1.109 507 D CA -0.612 53.375 54.000 -0.021 0.000 1.040 507 D CB 0.540 41.301 40.800 -0.065 0.000 1.175 507 D HN 0.033 nan 8.370 nan 0.000 0.584 508 Q N -0.716 118.921 119.800 -0.271 0.000 3.311 508 Q HA 0.103 4.444 4.340 0.001 0.000 0.254 508 Q C -0.843 175.071 176.000 -0.143 0.000 0.716 508 Q CA -0.536 55.194 55.803 -0.122 0.000 0.965 508 Q CB -1.297 27.394 28.738 -0.078 0.000 1.538 508 Q HN 0.744 nan 8.270 nan 0.000 0.372 509 W N 0.924 122.266 121.300 0.070 0.000 2.525 509 W HA 0.100 4.761 4.660 0.001 0.000 0.259 509 W C 1.937 178.491 176.519 0.058 0.000 1.253 509 W CA 1.073 58.453 57.345 0.059 0.000 1.262 509 W CB 0.212 29.706 29.460 0.056 0.000 1.122 509 W HN 0.613 nan 8.180 nan 0.000 0.607 510 G N 0.363 109.304 108.800 0.235 0.000 2.776 510 G HA2 -0.122 3.838 3.960 0.001 0.000 0.209 510 G HA3 -0.122 3.838 3.960 0.001 0.000 0.209 510 G C 1.281 176.241 174.900 0.099 0.000 1.145 510 G CA 1.107 46.304 45.100 0.161 0.000 0.791 510 G HN 0.308 nan 8.290 nan 0.000 0.530 511 V N -3.109 116.853 119.914 0.080 0.000 3.506 511 V HA 0.187 4.308 4.120 0.001 0.000 0.263 511 V C 1.940 178.068 176.094 0.058 0.000 1.203 511 V CA 0.734 63.061 62.300 0.044 0.000 1.133 511 V CB 0.234 32.061 31.823 0.008 0.000 0.802 511 V HN 0.120 nan 8.190 nan 0.000 0.459 512 E N 0.916 121.177 120.200 0.103 0.000 2.107 512 E HA -0.093 4.258 4.350 0.001 0.000 0.191 512 E C 2.027 178.677 176.600 0.082 0.000 0.982 512 E CA 1.356 57.822 56.400 0.110 0.000 0.809 512 E CB -0.272 29.542 29.700 0.190 0.000 0.756 512 E HN 0.578 nan 8.360 nan 0.000 0.459 513 L N 1.129 122.399 121.223 0.078 0.000 2.017 513 L HA -0.032 4.309 4.340 0.001 0.000 0.208 513 L C 2.215 179.106 176.870 0.035 0.000 1.073 513 L CA 2.289 57.161 54.840 0.054 0.000 0.745 513 L CB -1.051 41.037 42.059 0.049 0.000 0.894 513 L HN 0.139 nan 8.230 nan 0.000 0.432 514 G N -0.827 107.989 108.800 0.026 0.000 2.442 514 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 514 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 514 G C 1.674 176.579 174.900 0.008 0.000 1.141 514 G CA 0.961 46.066 45.100 0.009 0.000 0.763 514 G HN 0.441 nan 8.290 nan 0.000 0.554 515 K N -0.189 120.222 120.400 0.019 0.000 2.057 515 K HA -0.057 4.264 4.320 0.001 0.000 0.206 515 K C 2.531 179.145 176.600 0.024 0.000 1.050 515 K CA 1.145 57.443 56.287 0.018 0.000 0.935 515 K CB -0.214 32.300 32.500 0.024 0.000 0.715 515 K HN 0.380 nan 8.250 nan 0.000 0.439 516 Q N 1.170 120.990 119.800 0.034 0.000 2.084 516 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 516 Q C 2.047 178.067 176.000 0.033 0.000 0.978 516 Q CA 1.281 57.106 55.803 0.036 0.000 0.844 516 Q CB 0.020 28.784 28.738 0.042 0.000 0.898 516 Q HN 0.300 nan 8.270 nan 0.000 0.426 517 L N -0.115 121.126 121.223 0.029 0.000 2.156 517 L HA -0.068 4.273 4.340 0.001 0.000 0.208 517 L C 2.541 179.421 176.870 0.016 0.000 1.095 517 L CA 0.742 55.601 54.840 0.032 0.000 0.770 517 L CB -0.544 41.527 42.059 0.020 0.000 0.914 517 L HN 0.266 nan 8.230 nan 0.000 0.439 518 A N 0.521 123.341 122.820 -0.001 0.000 1.930 518 A HA -0.205 4.116 4.320 0.001 0.000 0.217 518 A C 1.974 179.558 177.584 -0.000 0.000 1.175 518 A CA 1.828 53.856 52.037 -0.016 0.000 0.627 518 A CB -0.748 18.238 19.000 -0.022 0.000 0.815 518 A HN 0.504 nan 8.150 nan 0.000 0.443 519 N N -0.554 118.154 118.700 0.013 0.000 2.166 519 N HA -0.169 4.571 4.740 0.001 0.000 0.186 519 N C 1.839 177.366 175.510 0.028 0.000 1.019 519 N CA 1.202 54.263 53.050 0.018 0.000 0.856 519 N CB -0.089 38.411 38.487 0.022 0.000 0.993 519 N HN 0.446 nan 8.380 nan 0.000 0.426 520 Q N 0.619 120.445 119.800 0.043 0.000 2.123 520 Q HA 0.010 4.351 4.340 0.001 0.000 0.199 520 Q C 2.077 178.130 176.000 0.088 0.000 0.966 520 Q CA 0.806 56.648 55.803 0.066 0.000 0.845 520 Q CB 0.010 28.803 28.738 0.092 0.000 0.907 520 Q HN 0.525 nan 8.270 nan 0.000 0.439 521 I N 0.355 120.968 120.570 0.072 0.000 2.406 521 I HA -0.219 3.952 4.170 0.001 0.000 0.249 521 I C 2.198 178.328 176.117 0.021 0.000 1.122 521 I CA 0.182 61.511 61.300 0.048 0.000 1.431 521 I CB -0.178 37.787 38.000 -0.058 0.000 1.087 521 I HN 0.123 nan 8.210 nan 0.000 0.424 522 L N 2.762 123.989 121.223 0.007 0.000 1.997 522 L HA -0.166 4.175 4.340 0.001 0.000 0.216 522 L C -0.453 176.432 176.870 0.024 0.000 1.074 522 L CA 2.518 57.361 54.840 0.003 0.000 0.763 522 L CB -1.763 40.298 42.059 0.002 0.000 0.890 522 L HN 0.120 nan 8.230 nan 0.000 0.434 523 P HA -0.155 nan 4.420 nan 0.000 0.222 523 P C 1.068 178.397 177.300 0.048 0.000 1.147 523 P CA 1.346 64.467 63.100 0.035 0.000 0.790 523 P CB -0.147 31.571 31.700 0.029 0.000 0.780 524 E N -0.345 119.891 120.200 0.059 0.000 2.418 524 E HA -0.011 4.340 4.350 0.001 0.000 0.197 524 E C 1.676 178.331 176.600 0.093 0.000 1.026 524 E CA 0.436 56.882 56.400 0.077 0.000 0.862 524 E CB -0.336 29.428 29.700 0.107 0.000 0.799 524 E HN 0.338 nan 8.360 nan 0.000 0.518 525 L N -0.151 121.127 121.223 0.091 0.000 2.567 525 L HA 0.182 4.522 4.340 0.001 0.000 0.225 525 L C 2.279 179.249 176.870 0.168 0.000 1.119 525 L CA -0.030 54.908 54.840 0.163 0.000 0.871 525 L CB -0.091 42.032 42.059 0.107 0.000 1.036 525 L HN 0.092 nan 8.230 nan 0.000 0.459 526 A N 0.822 123.702 122.820 0.100 0.000 1.898 526 A HA -0.148 4.173 4.320 0.001 0.000 0.216 526 A C 0.954 178.577 177.584 0.065 0.000 1.181 526 A CA 1.658 53.742 52.037 0.077 0.000 0.620 526 A CB -0.389 18.641 19.000 0.050 0.000 0.819 526 A HN 0.526 nan 8.150 nan 0.000 0.442 527 D N -2.175 118.260 120.400 0.059 0.000 2.569 527 D HA 0.386 5.027 4.640 0.001 0.000 0.266 527 D C 0.685 177.005 176.300 0.034 0.000 1.164 527 D CA 0.174 54.196 54.000 0.037 0.000 1.071 527 D CB 0.553 41.370 40.800 0.027 0.000 1.183 527 D HN 0.073 nan 8.370 nan 0.000 0.613 528 S N -1.843 113.864 115.700 0.012 0.000 2.556 528 S HA 0.428 4.899 4.470 0.001 0.000 0.216 528 S C 0.813 175.416 174.600 0.005 0.000 0.970 528 S CA -0.311 57.887 58.200 -0.003 0.000 0.912 528 S CB -0.641 62.547 63.200 -0.020 0.000 0.790 528 S HN 0.739 nan 8.310 nan 0.000 0.504 529 A N 1.647 124.477 122.820 0.017 0.000 2.407 529 A HA 0.718 5.039 4.320 0.001 0.000 0.248 529 A C 0.754 178.352 177.584 0.024 0.000 1.082 529 A CA -0.084 51.962 52.037 0.016 0.000 0.785 529 A CB -0.276 18.734 19.000 0.017 0.000 1.020 529 A HN 0.914 nan 8.150 nan 0.000 0.489 530 A N 1.395 124.224 122.820 0.016 0.000 2.498 530 A HA 0.475 4.795 4.320 0.001 0.000 0.239 530 A C 0.038 177.642 177.584 0.033 0.000 1.068 530 A CA -0.014 52.036 52.037 0.021 0.000 0.766 530 A CB -0.106 18.900 19.000 0.009 0.000 1.003 530 A HN 1.095 nan 8.150 nan 0.000 0.497 531 V N 2.517 122.461 119.914 0.050 0.000 2.417 531 V HA 0.497 4.618 4.120 0.001 0.000 0.291 531 V C 0.991 177.125 176.094 0.066 0.000 1.024 531 V CA 0.472 62.814 62.300 0.071 0.000 0.861 531 V CB 1.511 33.404 31.823 0.117 0.000 0.985 531 V HN 1.154 nan 8.190 nan 0.000 0.436 532 T N -1.722 112.857 114.554 0.041 0.000 3.111 532 T HA 0.018 4.368 4.350 0.001 0.000 0.284 532 T C 1.235 175.927 174.700 -0.014 0.000 0.983 532 T CA 0.438 62.551 62.100 0.022 0.000 0.900 532 T CB 0.187 69.058 68.868 0.004 0.000 1.132 532 T HN 0.623 nan 8.240 nan 0.000 0.531 533 S N 0.527 116.184 115.700 -0.071 0.000 2.603 533 S HA 0.154 4.625 4.470 0.001 0.000 0.220 533 S C 0.609 174.952 174.600 -0.428 0.000 0.967 533 S CA -0.336 57.706 58.200 -0.263 0.000 0.920 533 S CB -0.492 62.486 63.200 -0.371 0.000 0.773 533 S HN 0.685 nan 8.310 nan 0.000 0.529 534 H N 1.326 120.394 119.070 -0.003 0.000 3.160 534 H HA 0.352 4.909 4.556 0.001 0.000 0.297 534 H C -0.442 174.882 175.328 -0.006 0.000 1.605 534 H CA -0.565 55.480 56.048 -0.005 0.000 1.418 534 H CB 0.102 29.859 29.762 -0.007 0.000 1.846 534 H HN 0.360 nan 8.280 nan 0.000 0.754 535 D N -0.184 120.306 120.400 0.149 0.000 2.363 535 D HA -0.066 4.575 4.640 0.001 0.000 0.240 535 D C 1.054 177.389 176.300 0.059 0.000 1.236 535 D CA 0.250 54.291 54.000 0.070 0.000 0.927 535 D CB 0.966 41.794 40.800 0.046 0.000 1.150 535 D HN 0.534 nan 8.370 nan 0.000 0.458 536 S N -0.006 115.713 115.700 0.031 0.000 2.399 536 S HA -0.227 4.244 4.470 0.001 0.000 0.231 536 S C 1.999 176.608 174.600 0.015 0.000 1.022 536 S CA 1.310 59.523 58.200 0.022 0.000 0.983 536 S CB -0.373 62.834 63.200 0.011 0.000 0.803 536 S HN 0.568 nan 8.310 nan 0.000 0.480 537 S N 1.429 117.134 115.700 0.008 0.000 2.345 537 S HA -0.099 4.371 4.470 0.001 0.000 0.219 537 S C 1.990 176.581 174.600 -0.014 0.000 1.031 537 S CA 1.774 59.971 58.200 -0.004 0.000 0.984 537 S CB -1.266 61.929 63.200 -0.010 0.000 0.874 537 S HN 0.685 nan 8.310 nan 0.000 0.451 538 T N 2.990 117.530 114.554 -0.024 0.000 2.684 538 T HA -0.080 4.270 4.350 0.001 0.000 0.267 538 T C 1.764 176.434 174.700 -0.049 0.000 1.036 538 T CA 1.581 63.632 62.100 -0.082 0.000 1.148 538 T CB -0.660 68.109 68.868 -0.165 0.000 0.863 538 T HN 0.413 nan 8.240 nan 0.000 0.436 539 N N 1.120 119.838 118.700 0.030 0.000 2.069 539 N HA -0.064 4.677 4.740 0.001 0.000 0.191 539 N C 2.207 177.733 175.510 0.026 0.000 1.031 539 N CA 1.479 54.565 53.050 0.060 0.000 0.852 539 N CB -0.997 37.532 38.487 0.070 0.000 1.018 539 N HN 0.505 nan 8.380 nan 0.000 0.423 540 G N 1.157 109.963 108.800 0.010 0.000 2.418 540 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 540 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 540 G C 1.724 176.621 174.900 -0.004 0.000 1.158 540 G CA 0.423 45.521 45.100 -0.002 0.000 0.771 540 G HN 0.230 nan 8.290 nan 0.000 0.545 541 L N -0.026 121.196 121.223 -0.000 0.000 2.056 541 L HA 0.032 4.373 4.340 0.001 0.000 0.207 541 L C 2.842 179.742 176.870 0.051 0.000 1.078 541 L CA 0.662 55.512 54.840 0.016 0.000 0.749 541 L CB -0.301 41.752 42.059 -0.009 0.000 0.901 541 L HN 0.182 nan 8.230 nan 0.000 0.433 542 I N -0.099 120.488 120.570 0.029 0.000 2.226 542 I HA -0.277 3.894 4.170 0.001 0.000 0.245 542 I C 2.148 178.360 176.117 0.159 0.000 1.100 542 I CA 1.060 62.413 61.300 0.089 0.000 1.374 542 I CB -0.386 37.637 38.000 0.038 0.000 1.057 542 I HN 0.350 nan 8.210 nan 0.000 0.413 543 N N 1.090 119.832 118.700 0.069 0.000 2.244 543 N HA -0.096 4.645 4.740 0.001 0.000 0.183 543 N C 1.881 177.367 175.510 -0.041 0.000 1.016 543 N CA 1.489 54.554 53.050 0.025 0.000 0.866 543 N CB -0.284 38.204 38.487 0.000 0.000 0.980 543 N HN 0.343 nan 8.380 nan 0.000 0.430 544 A N 0.680 123.458 122.820 -0.070 0.000 1.930 544 A HA -0.096 4.225 4.320 0.001 0.000 0.217 544 A C 2.051 179.490 177.584 -0.243 0.000 1.175 544 A CA 0.713 52.590 52.037 -0.266 0.000 0.627 544 A CB -0.854 17.994 19.000 -0.253 0.000 0.815 544 A HN 0.301 nan 8.150 nan 0.000 0.443 545 F N 1.041 120.945 119.950 -0.077 0.000 2.095 545 F HA -0.182 4.346 4.527 0.001 0.000 0.298 545 F C 2.064 177.893 175.800 0.049 0.000 1.104 545 F CA 2.253 60.295 58.000 0.070 0.000 1.232 545 F CB -0.226 38.811 39.000 0.061 0.000 0.987 545 F HN 0.111 nan 8.300 nan 0.000 0.475 546 K N 0.311 120.610 120.400 -0.167 0.000 2.097 546 K HA -0.102 4.218 4.320 0.001 0.000 0.206 546 K C 2.327 178.799 176.600 -0.213 0.000 1.049 546 K CA 1.182 57.309 56.287 -0.267 0.000 0.933 546 K CB -0.555 31.913 32.500 -0.053 0.000 0.717 546 K HN 0.398 nan 8.250 nan 0.000 0.442 547 A N 0.875 123.587 122.820 -0.181 0.000 1.930 547 A HA -0.112 4.208 4.320 0.001 0.000 0.217 547 A C 1.839 179.366 177.584 -0.095 0.000 1.175 547 A CA 1.104 53.042 52.037 -0.165 0.000 0.627 547 A CB -0.539 18.327 19.000 -0.224 0.000 0.815 547 A HN 0.140 nan 8.150 nan 0.000 0.443 548 F N -0.128 119.755 119.950 -0.112 0.000 2.216 548 F HA -0.044 4.484 4.527 0.001 0.000 0.300 548 F C 2.384 178.095 175.800 -0.148 0.000 1.085 548 F CA 1.282 59.220 58.000 -0.102 0.000 1.326 548 F CB -0.491 38.469 39.000 -0.067 0.000 1.027 548 F HN 0.235 nan 8.300 nan 0.000 0.497 549 R N 0.112 120.567 120.500 -0.075 0.000 2.093 549 R HA 0.164 4.505 4.340 0.001 0.000 0.224 549 R C 1.049 177.291 176.300 -0.098 0.000 1.101 549 R CA 0.764 56.765 56.100 -0.165 0.000 0.979 549 R CB -0.151 29.893 30.300 -0.427 0.000 0.877 549 R HN 0.179 nan 8.270 nan 0.000 0.441 550 A N 0.000 122.765 122.820 -0.091 0.000 2.254 550 A HA 0.000 4.321 4.320 0.001 0.000 0.244 550 A CA 0.000 52.002 52.037 -0.058 0.000 0.836 550 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486