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 3l6s_1_A DATA FIRST_RESID 17 DATA SEQUENCE GKARKEAVQT AAKELLKFVN RSPSPFHAVA ECRNRLLQAG FSELKETEKW DATA SEQUENCE NIKPESKYFM TRNSSTIIAF AVGGQYVPGN GFSLIGAHTD SPCLRVKRRS DATA SEQUENCE RRSQVGFQQV GVETYGGGIW STWFDRDLTL AGRVIVKCPT SGRLEQQLVH DATA SEQUENCE VERPILRIPH LAIHLQRNIN ENFGPNTEMH LVPILATAIQ EELEKGTXXX DATA SEQUENCE XXXXXXXERH HSVLMSLLCA HLGLSPKDIV EMELCLADTQ PAVLGGAYDE DATA SEQUENCE FIFAPRLDNL HSCFCALQAL IDSCAGPGSL ATEPHVRMVT LYDNEEVGSE DATA SEQUENCE SAQGAQSLLT ELVLRRISAS CQHPTAFEEA IPKSFMISAD MAHAVHPNYL DATA SEQUENCE DKHEENHRPL FHKGPVIKVN SKQRYASNAV SEALIREVAN KVKVPLQDLM DATA SEQUENCE VRNDTPCGTT IGPILASRLG LRVLDLGSPQ LAMHSIREMA CTTGVLQTLT DATA SEQUENCE LFKGFFELFP SLAENLY 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 17 G C 0.000 174.873 174.900 -0.045 0.000 0.946 17 G CA 0.000 45.076 45.100 -0.040 0.000 0.502 18 K N 0.712 121.089 120.400 -0.039 0.000 2.217 18 K HA 0.615 4.935 4.320 -0.000 0.000 0.202 18 K C 2.590 179.170 176.600 -0.033 0.000 1.051 18 K CA 1.968 58.232 56.287 -0.038 0.000 0.952 18 K CB -0.728 31.753 32.500 -0.031 0.000 0.736 18 K HN 1.226 nan 8.250 nan 0.000 0.453 19 A N 1.085 123.888 122.820 -0.028 0.000 1.968 19 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 19 A C 2.297 179.866 177.584 -0.025 0.000 1.169 19 A CA 1.826 53.849 52.037 -0.023 0.000 0.638 19 A CB -0.270 18.718 19.000 -0.018 0.000 0.812 19 A HN 0.531 nan 8.150 nan 0.000 0.446 20 R N 0.622 121.104 120.500 -0.030 0.000 2.073 20 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 20 R C 1.999 178.277 176.300 -0.037 0.000 1.120 20 R CA 2.056 58.138 56.100 -0.031 0.000 0.967 20 R CB -0.462 29.816 30.300 -0.035 0.000 0.862 20 R HN 0.406 nan 8.270 nan 0.000 0.436 21 K N 0.701 121.073 120.400 -0.047 0.000 2.097 21 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 21 K C 1.691 178.266 176.600 -0.041 0.000 1.049 21 K CA 2.026 58.280 56.287 -0.055 0.000 0.933 21 K CB -0.073 32.386 32.500 -0.069 0.000 0.717 21 K HN 0.387 nan 8.250 nan 0.000 0.442 22 E N -0.129 120.051 120.200 -0.033 0.000 2.051 22 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 22 E C 2.040 178.628 176.600 -0.020 0.000 0.991 22 E CA 1.235 57.620 56.400 -0.024 0.000 0.799 22 E CB -0.226 29.462 29.700 -0.020 0.000 0.748 22 E HN 0.498 nan 8.360 nan 0.000 0.449 23 A N 0.835 123.644 122.820 -0.018 0.000 1.930 23 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 23 A C 2.483 180.060 177.584 -0.013 0.000 1.175 23 A CA 1.062 53.092 52.037 -0.012 0.000 0.627 23 A CB -0.545 18.448 19.000 -0.011 0.000 0.815 23 A HN 0.112 nan 8.150 nan 0.000 0.443 24 V N 0.053 119.956 119.914 -0.019 0.000 2.307 24 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 24 V C 2.729 178.811 176.094 -0.019 0.000 1.045 24 V CA 1.987 64.277 62.300 -0.016 0.000 1.024 24 V CB -0.738 31.074 31.823 -0.019 0.000 0.651 24 V HN 0.552 nan 8.190 nan 0.000 0.449 25 Q N -0.231 119.554 119.800 -0.026 0.000 2.084 25 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 25 Q C 2.362 178.345 176.000 -0.028 0.000 0.978 25 Q CA 2.216 58.001 55.803 -0.030 0.000 0.844 25 Q CB -0.776 27.943 28.738 -0.031 0.000 0.898 25 Q HN 0.633 nan 8.270 nan 0.000 0.426 26 T N 1.386 115.929 114.554 -0.019 0.000 2.708 26 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 26 T C 1.900 176.595 174.700 -0.010 0.000 1.037 26 T CA 1.446 63.539 62.100 -0.013 0.000 1.146 26 T CB -0.248 68.618 68.868 -0.003 0.000 0.865 26 T HN 0.416 nan 8.240 nan 0.000 0.435 27 A N 1.416 124.236 122.820 0.001 0.000 1.902 27 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 27 A C 2.638 180.202 177.584 -0.033 0.000 1.181 27 A CA 1.805 53.857 52.037 0.025 0.000 0.623 27 A CB -1.085 17.936 19.000 0.035 0.000 0.818 27 A HN 0.501 nan 8.150 nan 0.000 0.443 28 A N -0.083 122.707 122.820 -0.050 0.000 1.902 28 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 28 A C 2.090 179.606 177.584 -0.114 0.000 1.181 28 A CA 1.755 53.742 52.037 -0.083 0.000 0.623 28 A CB -0.418 18.549 19.000 -0.054 0.000 0.818 28 A HN 0.543 nan 8.150 nan 0.000 0.443 29 K N -0.767 119.581 120.400 -0.086 0.000 2.211 29 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 29 K C 1.988 178.515 176.600 -0.122 0.000 1.050 29 K CA 1.344 57.580 56.287 -0.085 0.000 0.945 29 K CB -0.028 32.441 32.500 -0.052 0.000 0.732 29 K HN 0.465 nan 8.250 nan 0.000 0.451 30 E N 1.389 121.496 120.200 -0.154 0.000 2.107 30 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 30 E C 1.759 178.036 176.600 -0.538 0.000 0.982 30 E CA 0.588 56.854 56.400 -0.224 0.000 0.809 30 E CB -0.118 29.537 29.700 -0.074 0.000 0.756 30 E HN 0.109 nan 8.360 nan 0.000 0.459 31 L N 0.218 121.017 121.223 -0.706 0.000 2.046 31 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 31 L C 2.004 178.692 176.870 -0.305 0.000 1.077 31 L CA 1.575 55.937 54.840 -0.796 0.000 0.747 31 L CB -0.461 41.268 42.059 -0.551 0.000 0.896 31 L HN 0.240 nan 8.230 nan 0.000 0.432 32 L N -0.780 120.332 121.223 -0.186 0.000 2.079 32 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 32 L C 2.548 179.387 176.870 -0.052 0.000 1.081 32 L CA 1.526 56.319 54.840 -0.078 0.000 0.752 32 L CB -0.680 41.346 42.059 -0.055 0.000 0.896 32 L HN 0.294 nan 8.230 nan 0.000 0.433 33 K N -0.602 119.756 120.400 -0.069 0.000 2.031 33 K HA -0.147 4.172 4.320 -0.000 0.000 0.205 33 K C 2.085 178.686 176.600 0.001 0.000 1.049 33 K CA 1.192 57.463 56.287 -0.027 0.000 0.939 33 K CB -0.318 32.170 32.500 -0.020 0.000 0.717 33 K HN 0.025 nan 8.250 nan 0.000 0.438 34 F N 2.031 121.874 119.950 -0.179 0.000 2.063 34 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 34 F C 2.058 177.814 175.800 -0.073 0.000 1.109 34 F CA 1.450 59.376 58.000 -0.123 0.000 1.212 34 F CB -0.357 38.514 39.000 -0.214 0.000 0.973 34 F HN -0.264 nan 8.300 nan 0.000 0.480 35 V N 0.701 120.675 119.914 0.101 0.000 2.295 35 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 35 V C 2.125 178.188 176.094 -0.052 0.000 1.049 35 V CA 2.209 64.528 62.300 0.030 0.000 1.024 35 V CB -0.803 31.062 31.823 0.070 0.000 0.648 35 V HN 0.384 nan 8.190 nan 0.000 0.447 36 N N 0.257 118.937 118.700 -0.035 0.000 2.309 36 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 36 N C 1.788 177.263 175.510 -0.058 0.000 1.018 36 N CA 1.021 54.055 53.050 -0.027 0.000 0.876 36 N CB -0.266 38.221 38.487 -0.000 0.000 0.972 36 N HN 0.502 nan 8.380 nan 0.000 0.434 37 R N -0.281 120.157 120.500 -0.102 0.000 2.317 37 R HA 0.222 4.562 4.340 -0.000 0.000 0.208 37 R C 0.036 176.221 176.300 -0.191 0.000 0.914 37 R CA 0.131 56.162 56.100 -0.115 0.000 1.060 37 R CB 0.423 30.667 30.300 -0.093 0.000 1.015 37 R HN -0.042 nan 8.270 nan 0.000 0.498 38 S N 1.472 117.029 115.700 -0.239 0.000 2.256 38 S HA 0.169 4.639 4.470 -0.000 0.000 0.210 38 S C -1.991 172.500 174.600 -0.182 0.000 1.329 38 S CA -0.898 57.169 58.200 -0.221 0.000 1.267 38 S CB 1.130 64.120 63.200 -0.351 0.000 1.086 38 S HN 0.114 nan 8.310 nan 0.000 0.468 39 P HA 0.008 nan 4.420 nan 0.000 0.234 39 P C 0.339 177.549 177.300 -0.150 0.000 1.167 39 P CA 0.644 63.576 63.100 -0.280 0.000 0.763 39 P CB 0.046 31.401 31.700 -0.574 0.000 0.835 40 S N -2.696 112.967 115.700 -0.062 0.000 2.618 40 S HA 0.556 5.026 4.470 -0.000 0.000 0.277 40 S C -2.523 172.066 174.600 -0.018 0.000 1.138 40 S CA -1.599 56.624 58.200 0.038 0.000 0.844 40 S CB 1.808 65.151 63.200 0.238 0.000 1.127 40 S HN -0.320 nan 8.310 nan 0.000 0.474 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C 0.854 177.997 177.300 -0.261 0.000 1.148 41 P CA 1.053 63.998 63.100 -0.259 0.000 0.803 41 P CB -0.210 31.243 31.700 -0.411 0.000 0.782 42 F N -1.612 118.332 119.950 -0.010 0.000 2.186 42 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 42 F C 2.360 178.061 175.800 -0.164 0.000 1.090 42 F CA 1.389 59.338 58.000 -0.085 0.000 1.307 42 F CB -1.624 37.300 39.000 -0.126 0.000 1.019 42 F HN 0.080 nan 8.300 nan 0.000 0.489 43 H N -0.430 118.671 119.070 0.053 0.000 2.395 43 H HA 0.094 4.650 4.556 -0.000 0.000 0.299 43 H C 2.300 177.548 175.328 -0.133 0.000 1.070 43 H CA 1.009 57.029 56.048 -0.047 0.000 1.356 43 H CB -0.479 29.215 29.762 -0.114 0.000 1.401 43 H HN 0.192 nan 8.280 nan 0.000 0.524 44 A N 0.413 123.201 122.820 -0.053 0.000 1.865 44 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 44 A C 2.552 180.072 177.584 -0.106 0.000 1.191 44 A CA 2.023 53.957 52.037 -0.172 0.000 0.623 44 A CB -1.042 17.899 19.000 -0.098 0.000 0.826 44 A HN 0.249 nan 8.150 nan 0.000 0.444 45 V N -0.170 119.719 119.914 -0.041 0.000 2.332 45 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 45 V C 3.065 179.137 176.094 -0.036 0.000 1.055 45 V CA 2.027 64.319 62.300 -0.015 0.000 1.038 45 V CB -1.257 30.580 31.823 0.023 0.000 0.651 45 V HN 0.652 nan 8.190 nan 0.000 0.450 46 A N -0.067 122.728 122.820 -0.042 0.000 1.908 46 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 46 A C 2.199 179.744 177.584 -0.066 0.000 1.181 46 A CA 2.172 54.179 52.037 -0.050 0.000 0.627 46 A CB -0.509 18.448 19.000 -0.071 0.000 0.818 46 A HN 0.573 nan 8.150 nan 0.000 0.445 47 E N -0.209 119.936 120.200 -0.092 0.000 2.072 47 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 47 E C 1.895 178.478 176.600 -0.029 0.000 0.985 47 E CA 1.715 58.056 56.400 -0.099 0.000 0.801 47 E CB -0.856 28.673 29.700 -0.284 0.000 0.750 47 E HN 0.549 nan 8.360 nan 0.000 0.452 48 C N 0.551 119.846 119.300 -0.008 0.000 2.413 48 C HA -0.056 4.404 4.460 -0.000 0.000 0.276 48 C C 2.742 177.593 174.990 -0.231 0.000 1.248 48 C CA 1.132 60.146 59.018 -0.007 0.000 1.742 48 C CB -1.041 26.703 27.740 0.007 0.000 2.017 48 C HN 0.509 nan 8.230 nan 0.000 0.481 49 R N 1.270 121.605 120.500 -0.275 0.000 2.083 49 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 49 R C 1.934 178.034 176.300 -0.334 0.000 1.137 49 R CA 2.047 57.861 56.100 -0.477 0.000 0.951 49 R CB -0.367 29.803 30.300 -0.217 0.000 0.851 49 R HN 0.511 nan 8.270 nan 0.000 0.434 50 N N 0.648 119.258 118.700 -0.149 0.000 2.069 50 N HA -0.168 4.571 4.740 -0.000 0.000 0.191 50 N C 1.794 177.257 175.510 -0.079 0.000 1.031 50 N CA 1.542 54.547 53.050 -0.075 0.000 0.852 50 N CB -0.308 38.164 38.487 -0.025 0.000 1.018 50 N HN 0.311 nan 8.380 nan 0.000 0.423 51 R N 0.383 120.832 120.500 -0.084 0.000 2.096 51 R HA 0.056 4.396 4.340 -0.000 0.000 0.235 51 R C 2.269 178.475 176.300 -0.157 0.000 1.127 51 R CA 0.686 56.744 56.100 -0.069 0.000 0.968 51 R CB -0.335 29.956 30.300 -0.015 0.000 0.861 51 R HN 0.209 nan 8.270 nan 0.000 0.440 52 L N 0.386 121.417 121.223 -0.321 0.000 2.093 52 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 52 L C 2.270 179.069 176.870 -0.118 0.000 1.085 52 L CA 1.144 55.703 54.840 -0.468 0.000 0.755 52 L CB -0.333 41.209 42.059 -0.861 0.000 0.904 52 L HN 0.194 nan 8.230 nan 0.000 0.435 53 L N -0.911 120.266 121.223 -0.076 0.000 2.056 53 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 53 L C 2.635 179.549 176.870 0.074 0.000 1.078 53 L CA 0.915 55.811 54.840 0.094 0.000 0.749 53 L CB -0.344 41.773 42.059 0.097 0.000 0.901 53 L HN 0.247 nan 8.230 nan 0.000 0.433 54 Q N 0.134 119.951 119.800 0.029 0.000 2.181 54 Q HA -0.153 4.186 4.340 -0.000 0.000 0.205 54 Q C 1.844 177.876 176.000 0.053 0.000 0.980 54 Q CA 1.712 57.535 55.803 0.033 0.000 0.862 54 Q CB -0.097 28.652 28.738 0.018 0.000 0.905 54 Q HN 0.473 nan 8.270 nan 0.000 0.429 55 A N -1.492 121.380 122.820 0.087 0.000 2.307 55 A HA 0.461 4.781 4.320 -0.000 0.000 0.218 55 A C 1.259 178.960 177.584 0.195 0.000 1.228 55 A CA 0.561 52.688 52.037 0.149 0.000 0.857 55 A CB -0.384 18.733 19.000 0.195 0.000 0.897 55 A HN 0.517 nan 8.150 nan 0.000 0.495 56 G N -1.537 107.356 108.800 0.154 0.000 2.132 56 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.234 56 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.234 56 G C -0.054 174.852 174.900 0.011 0.000 0.989 56 G CA -0.038 45.091 45.100 0.048 0.000 0.676 56 G HN 0.350 nan 8.290 nan 0.000 0.522 57 F N 1.846 121.765 119.950 -0.052 0.000 2.384 57 F HA 0.544 5.071 4.527 -0.000 0.000 0.338 57 F C 1.198 177.007 175.800 0.014 0.000 1.103 57 F CA 0.028 57.996 58.000 -0.053 0.000 1.157 57 F CB 1.588 40.628 39.000 0.066 0.000 1.167 57 F HN 0.229 nan 8.300 nan 0.000 0.529 58 S N 1.922 117.601 115.700 -0.036 0.000 2.489 58 S HA 0.295 4.765 4.470 -0.000 0.000 0.291 58 S C -0.664 173.738 174.600 -0.329 0.000 1.151 58 S CA -0.963 57.165 58.200 -0.119 0.000 1.082 58 S CB 1.428 64.507 63.200 -0.201 0.000 1.019 58 S HN 0.708 nan 8.310 nan 0.000 0.492 59 E N 2.797 122.697 120.200 -0.500 0.000 2.324 59 E HA 0.271 4.621 4.350 -0.000 0.000 0.271 59 E C -0.891 175.401 176.600 -0.514 0.000 1.028 59 E CA -0.298 55.514 56.400 -0.979 0.000 0.890 59 E CB 0.369 29.689 29.700 -0.633 0.000 1.004 59 E HN 0.647 nan 8.360 nan 0.000 0.431 60 L N 4.595 125.500 121.223 -0.530 0.000 2.325 60 L HA 0.381 4.721 4.340 -0.000 0.000 0.279 60 L C 0.240 177.051 176.870 -0.099 0.000 1.054 60 L CA -0.652 53.978 54.840 -0.350 0.000 0.804 60 L CB 1.286 42.912 42.059 -0.722 0.000 1.200 60 L HN 0.411 nan 8.230 nan 0.000 0.436 61 K N 1.914 122.364 120.400 0.084 0.000 2.211 61 K HA 0.115 4.435 4.320 -0.000 0.000 0.275 61 K C 0.574 177.401 176.600 0.378 0.000 1.024 61 K CA -0.297 56.093 56.287 0.172 0.000 0.887 61 K CB 1.776 34.345 32.500 0.115 0.000 1.084 61 K HN 0.559 nan 8.250 nan 0.000 0.463 62 E N 1.394 121.778 120.200 0.307 0.000 2.204 62 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 62 E C 0.972 177.609 176.600 0.061 0.000 0.989 62 E CA 1.355 57.912 56.400 0.262 0.000 0.824 62 E CB 0.314 30.123 29.700 0.180 0.000 0.756 62 E HN 0.670 nan 8.360 nan 0.000 0.477 63 T N -1.788 112.809 114.554 0.072 0.000 3.194 63 T HA 0.102 4.452 4.350 -0.000 0.000 0.251 63 T C 0.297 175.007 174.700 0.017 0.000 1.132 63 T CA -0.028 62.082 62.100 0.017 0.000 1.028 63 T CB 0.000 68.884 68.868 0.026 0.000 0.976 63 T HN 0.026 nan 8.240 nan 0.000 0.535 64 E N 0.624 120.860 120.200 0.060 0.000 2.299 64 E HA 0.522 4.872 4.350 -0.000 0.000 0.265 64 E C -0.842 175.773 176.600 0.025 0.000 0.911 64 E CA -1.284 55.160 56.400 0.072 0.000 0.789 64 E CB 1.479 31.267 29.700 0.146 0.000 1.246 64 E HN -0.007 nan 8.360 nan 0.000 0.427 65 K N 1.272 121.687 120.400 0.024 0.000 2.382 65 K HA 0.066 4.386 4.320 -0.000 0.000 0.275 65 K C -1.430 175.310 176.600 0.234 0.000 1.009 65 K CA 0.125 56.418 56.287 0.010 0.000 0.970 65 K CB 0.405 32.914 32.500 0.017 0.000 0.934 65 K HN 0.268 nan 8.250 nan 0.000 0.479 66 W N 2.775 124.067 121.300 -0.013 0.000 2.551 66 W HA 0.368 5.028 4.660 -0.000 0.000 0.330 66 W C -0.119 176.390 176.519 -0.018 0.000 1.063 66 W CA -0.862 56.466 57.345 -0.028 0.000 1.222 66 W CB 0.676 30.105 29.460 -0.052 0.000 1.349 66 W HN 0.629 nan 8.180 nan 0.000 0.536 67 N N 3.256 122.079 118.700 0.205 0.000 2.776 67 N HA 0.197 4.937 4.740 -0.000 0.000 0.245 67 N C -1.147 174.417 175.510 0.090 0.000 1.121 67 N CA -0.316 52.816 53.050 0.136 0.000 0.852 67 N CB 0.432 38.986 38.487 0.112 0.000 1.142 67 N HN 0.097 nan 8.380 nan 0.000 0.514 68 I N 3.166 123.779 120.570 0.072 0.000 2.396 68 I HA 0.202 4.372 4.170 -0.000 0.000 0.289 68 I C 0.272 176.485 176.117 0.159 0.000 1.056 68 I CA -0.095 61.198 61.300 -0.012 0.000 1.365 68 I CB 0.636 38.646 38.000 0.016 0.000 1.407 68 I HN 0.311 nan 8.210 nan 0.000 0.509 69 K N 7.464 128.022 120.400 0.263 0.000 2.203 69 K HA 0.555 4.875 4.320 -0.000 0.000 0.251 69 K C -2.490 174.239 176.600 0.214 0.000 0.944 69 K CA -2.190 54.228 56.287 0.218 0.000 0.829 69 K CB 1.344 33.944 32.500 0.168 0.000 1.125 69 K HN 0.154 nan 8.250 nan 0.000 0.430 70 P HA 0.036 nan 4.420 nan 0.000 0.267 70 P C -0.332 177.013 177.300 0.075 0.000 1.200 70 P CA 0.335 63.525 63.100 0.151 0.000 0.772 70 P CB 0.358 32.142 31.700 0.139 0.000 0.855 71 E N -1.627 118.598 120.200 0.041 0.000 3.370 71 E HA -0.176 4.174 4.350 -0.000 0.000 0.291 71 E C -0.461 176.074 176.600 -0.108 0.000 0.916 71 E CA 0.730 57.111 56.400 -0.031 0.000 0.981 71 E CB -1.350 28.333 29.700 -0.029 0.000 1.498 71 E HN 0.428 nan 8.360 nan 0.000 0.452 72 S N -0.263 115.375 115.700 -0.104 0.000 2.638 72 S HA 0.565 5.035 4.470 -0.000 0.000 0.298 72 S C -0.133 174.141 174.600 -0.542 0.000 1.111 72 S CA -0.815 57.188 58.200 -0.329 0.000 1.027 72 S CB 1.902 64.924 63.200 -0.297 0.000 1.064 72 S HN 0.095 nan 8.310 nan 0.000 0.525 73 K N 1.027 120.864 120.400 -0.939 0.000 2.324 73 K HA 0.645 4.965 4.320 -0.000 0.000 0.253 73 K C -1.699 174.283 176.600 -1.030 0.000 0.932 73 K CA -0.553 55.112 56.287 -1.037 0.000 0.799 73 K CB 1.618 33.178 32.500 -1.567 0.000 1.154 73 K HN 0.584 nan 8.250 nan 0.000 0.425 74 Y N 0.893 120.919 120.300 -0.457 0.000 2.625 74 Y HA 0.552 5.102 4.550 -0.000 0.000 0.338 74 Y C -0.766 174.987 175.900 -0.244 0.000 1.123 74 Y CA -1.198 56.585 58.100 -0.529 0.000 1.046 74 Y CB 1.754 39.521 38.460 -1.155 0.000 1.299 74 Y HN 0.615 nan 8.280 nan 0.000 0.464 75 F N 0.553 120.429 119.950 -0.123 0.000 2.678 75 F HA 0.861 5.388 4.527 -0.000 0.000 0.308 75 F C -1.528 174.267 175.800 -0.008 0.000 1.118 75 F CA -1.397 56.579 58.000 -0.040 0.000 0.959 75 F CB 1.518 40.501 39.000 -0.029 0.000 1.305 75 F HN 0.454 nan 8.300 nan 0.000 0.443 76 M N 1.307 121.022 119.600 0.192 0.000 2.631 76 M HA 0.908 5.388 4.480 -0.000 0.000 0.288 76 M C -1.091 175.373 176.300 0.273 0.000 1.260 76 M CA -0.495 54.890 55.300 0.141 0.000 0.842 76 M CB 2.197 34.895 32.600 0.162 0.000 1.743 76 M HN 0.808 nan 8.290 nan 0.000 0.461 77 T N -1.067 113.620 114.554 0.221 0.000 2.907 77 T HA 0.883 5.232 4.350 -0.000 0.000 0.292 77 T C -0.976 173.818 174.700 0.156 0.000 1.043 77 T CA -0.812 61.403 62.100 0.191 0.000 1.003 77 T CB 1.926 70.911 68.868 0.196 0.000 1.084 77 T HN 0.941 nan 8.240 nan 0.000 0.483 78 R N 1.168 121.751 120.500 0.138 0.000 2.561 78 R HA 0.538 4.878 4.340 -0.000 0.000 0.297 78 R C 0.227 176.606 176.300 0.131 0.000 0.969 78 R CA -0.149 56.027 56.100 0.127 0.000 0.879 78 R CB 0.363 30.736 30.300 0.122 0.000 1.178 78 R HN 0.940 nan 8.270 nan 0.000 0.445 79 N N 2.009 120.787 118.700 0.129 0.000 2.713 79 N HA -0.267 4.473 4.740 -0.000 0.000 0.251 79 N C -0.858 174.789 175.510 0.229 0.000 1.117 79 N CA 1.669 54.815 53.050 0.160 0.000 0.770 79 N CB -0.940 37.645 38.487 0.162 0.000 1.137 79 N HN 0.732 nan 8.380 nan 0.000 0.566 80 S N -3.325 112.490 115.700 0.192 0.000 3.257 80 S HA -0.263 4.207 4.470 -0.000 0.000 0.300 80 S C 0.832 175.595 174.600 0.273 0.000 1.275 80 S CA 1.488 59.827 58.200 0.230 0.000 1.023 80 S CB -1.969 61.365 63.200 0.223 0.000 1.180 80 S HN 1.137 nan 8.310 nan 0.000 0.660 81 S N -2.282 113.513 115.700 0.157 0.000 2.733 81 S HA 0.391 4.861 4.470 -0.000 0.000 0.247 81 S C 0.205 174.812 174.600 0.012 0.000 1.043 81 S CA -0.011 58.174 58.200 -0.025 0.000 1.066 81 S CB 1.059 64.130 63.200 -0.214 0.000 1.045 81 S HN 0.266 nan 8.310 nan 0.000 0.586 82 T N 2.272 116.865 114.554 0.064 0.000 2.861 82 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 82 T C -1.342 173.387 174.700 0.049 0.000 1.003 82 T CA -0.456 61.674 62.100 0.050 0.000 0.977 82 T CB 1.880 70.800 68.868 0.086 0.000 0.996 82 T HN 0.388 nan 8.240 nan 0.000 0.448 83 I N 3.198 123.770 120.570 0.003 0.000 2.582 83 I HA 0.607 4.777 4.170 -0.000 0.000 0.292 83 I C -1.610 174.514 176.117 0.011 0.000 1.066 83 I CA -1.170 60.158 61.300 0.047 0.000 1.053 83 I CB 1.249 39.271 38.000 0.037 0.000 1.241 83 I HN 0.613 nan 8.210 nan 0.000 0.421 84 I N 7.376 128.013 120.570 0.111 0.000 2.410 84 I HA 0.578 4.748 4.170 -0.000 0.000 0.286 84 I C -0.238 176.051 176.117 0.286 0.000 1.009 84 I CA -0.416 60.970 61.300 0.144 0.000 1.111 84 I CB 1.809 39.906 38.000 0.161 0.000 1.262 84 I HN 0.609 nan 8.210 nan 0.000 0.443 85 A N 7.177 130.145 122.820 0.248 0.000 2.337 85 A HA 0.955 5.275 4.320 -0.000 0.000 0.329 85 A C -0.960 176.888 177.584 0.439 0.000 1.146 85 A CA -0.381 51.815 52.037 0.265 0.000 0.800 85 A CB 0.951 19.940 19.000 -0.017 0.000 1.220 85 A HN 0.659 nan 8.150 nan 0.000 0.472 86 F N -0.893 119.247 119.950 0.316 0.000 2.641 86 F HA 0.801 5.328 4.527 -0.000 0.000 0.308 86 F C -0.362 175.576 175.800 0.230 0.000 1.105 86 F CA -0.963 57.186 58.000 0.249 0.000 0.964 86 F CB 1.664 40.781 39.000 0.195 0.000 1.294 86 F HN 0.743 nan 8.300 nan 0.000 0.442 87 A N 2.498 125.456 122.820 0.230 0.000 2.340 87 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 87 A C -1.309 176.311 177.584 0.060 0.000 1.195 87 A CA -0.820 51.207 52.037 -0.017 0.000 0.769 87 A CB 0.861 19.793 19.000 -0.113 0.000 1.163 87 A HN 0.742 nan 8.150 nan 0.000 0.472 88 V N 2.770 122.732 119.914 0.079 0.000 2.455 88 V HA 0.426 4.546 4.120 -0.000 0.000 0.273 88 V C 1.379 177.496 176.094 0.038 0.000 1.045 88 V CA 0.169 62.493 62.300 0.041 0.000 0.976 88 V CB 0.835 32.721 31.823 0.104 0.000 0.993 88 V HN 1.024 nan 8.190 nan 0.000 0.475 89 G N 3.547 112.383 108.800 0.060 0.000 2.554 89 G HA2 0.322 4.282 3.960 -0.000 0.000 0.238 89 G HA3 0.322 4.282 3.960 -0.000 0.000 0.238 89 G C 1.133 176.101 174.900 0.113 0.000 1.259 89 G CA 0.096 45.249 45.100 0.089 0.000 0.843 89 G HN 1.015 nan 8.290 nan 0.000 0.582 90 G N -0.178 108.662 108.800 0.066 0.000 2.443 90 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 90 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 90 G C 1.316 176.259 174.900 0.073 0.000 1.131 90 G CA 0.484 45.620 45.100 0.060 0.000 0.775 90 G HN 0.512 nan 8.290 nan 0.000 0.547 91 Q N -0.639 119.207 119.800 0.077 0.000 2.220 91 Q HA 0.153 4.493 4.340 -0.000 0.000 0.205 91 Q C -0.434 175.613 176.000 0.080 0.000 0.865 91 Q CA -0.718 55.120 55.803 0.058 0.000 0.960 91 Q CB 0.171 28.928 28.738 0.032 0.000 1.097 91 Q HN 0.604 nan 8.270 nan 0.000 0.493 92 Y N 1.924 122.235 120.300 0.019 0.000 2.526 92 Y HA 0.187 4.737 4.550 -0.000 0.000 0.330 92 Y C -0.023 175.886 175.900 0.016 0.000 1.156 92 Y CA -0.663 57.442 58.100 0.009 0.000 1.419 92 Y CB 0.466 38.929 38.460 0.005 0.000 1.250 92 Y HN -0.105 nan 8.280 nan 0.000 0.540 93 V N 4.189 123.593 119.914 -0.850 0.000 2.962 93 V HA 0.648 4.768 4.120 -0.000 0.000 0.313 93 V C -2.886 172.577 176.094 -1.052 0.000 1.099 93 V CA -3.252 58.623 62.300 -0.708 0.000 0.971 93 V CB 1.733 33.389 31.823 -0.277 0.000 1.028 93 V HN 0.644 nan 8.190 nan 0.000 0.430 94 P HA 0.324 nan 4.420 nan 0.000 0.262 94 P C 0.991 178.151 177.300 -0.234 0.000 1.182 94 P CA 2.170 65.151 63.100 -0.199 0.000 0.761 94 P CB 0.688 32.478 31.700 0.151 0.000 0.795 95 G N 1.904 110.643 108.800 -0.102 0.000 2.232 95 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 95 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 95 G C 0.423 175.254 174.900 -0.115 0.000 0.996 95 G CA -0.456 44.581 45.100 -0.105 0.000 0.626 95 G HN 0.501 nan 8.290 nan 0.000 0.509 96 N N 1.364 119.949 118.700 -0.191 0.000 2.399 96 N HA 0.511 5.251 4.740 -0.000 0.000 0.250 96 N C 1.021 176.427 175.510 -0.173 0.000 1.272 96 N CA 0.763 53.730 53.050 -0.137 0.000 0.928 96 N CB 0.482 38.893 38.487 -0.126 0.000 1.158 96 N HN 0.572 nan 8.380 nan 0.000 0.463 97 G N -0.416 108.159 108.800 -0.375 0.000 2.599 97 G HA2 0.439 4.399 3.960 -0.000 0.000 0.264 97 G HA3 0.439 4.399 3.960 -0.000 0.000 0.264 97 G C -0.917 173.559 174.900 -0.706 0.000 1.200 97 G CA -0.299 44.473 45.100 -0.547 0.000 0.896 97 G HN 0.368 nan 8.290 nan 0.000 0.536 98 F N -0.522 119.319 119.950 -0.181 0.000 2.495 98 F HA 0.421 4.948 4.527 -0.000 0.000 0.327 98 F C 0.531 176.449 175.800 0.196 0.000 1.103 98 F CA -0.581 57.436 58.000 0.028 0.000 0.949 98 F CB 2.507 41.543 39.000 0.061 0.000 1.142 98 F HN 0.199 nan 8.300 nan 0.000 0.457 99 S N 4.556 120.547 115.700 0.484 0.000 2.423 99 S HA 0.645 5.115 4.470 -0.000 0.000 0.317 99 S C -0.624 174.334 174.600 0.596 0.000 1.065 99 S CA -0.523 57.950 58.200 0.454 0.000 1.111 99 S CB 0.221 63.595 63.200 0.291 0.000 0.968 99 S HN 0.331 nan 8.310 nan 0.000 0.474 100 L N 3.734 125.277 121.223 0.533 0.000 2.342 100 L HA 0.670 5.010 4.340 -0.000 0.000 0.271 100 L C -0.405 176.578 176.870 0.189 0.000 1.008 100 L CA -0.422 54.647 54.840 0.381 0.000 0.818 100 L CB 1.318 43.509 42.059 0.220 0.000 1.296 100 L HN 0.518 nan 8.230 nan 0.000 0.427 101 I N 1.150 121.788 120.570 0.113 0.000 2.499 101 I HA 0.593 4.763 4.170 -0.000 0.000 0.288 101 I C 0.017 176.109 176.117 -0.041 0.000 1.048 101 I CA -0.466 60.732 61.300 -0.171 0.000 1.062 101 I CB 2.018 39.765 38.000 -0.421 0.000 1.238 101 I HN 0.670 nan 8.210 nan 0.000 0.426 102 G N 3.791 112.567 108.800 -0.041 0.000 2.420 102 G HA2 0.862 4.822 3.960 -0.000 0.000 0.331 102 G HA3 0.862 4.822 3.960 -0.000 0.000 0.331 102 G C -0.862 174.090 174.900 0.087 0.000 1.168 102 G CA -0.321 44.826 45.100 0.079 0.000 0.936 102 G HN 0.811 nan 8.290 nan 0.000 0.479 103 A N 1.069 123.976 122.820 0.144 0.000 2.733 103 A HA 0.966 5.286 4.320 -0.000 0.000 0.299 103 A C -1.026 176.724 177.584 0.277 0.000 1.252 103 A CA -0.568 51.569 52.037 0.167 0.000 0.677 103 A CB 1.168 20.217 19.000 0.083 0.000 1.361 103 A HN 1.568 nan 8.150 nan 0.000 0.528 104 H N -2.758 116.414 119.070 0.170 0.000 2.851 104 H HA 0.654 5.210 4.556 -0.000 0.000 0.372 104 H C 0.161 175.580 175.328 0.151 0.000 1.158 104 H CA 0.032 56.186 56.048 0.177 0.000 1.159 104 H CB 1.485 31.352 29.762 0.175 0.000 1.757 104 H HN 0.551 nan 8.280 nan 0.000 0.546 105 T N -1.757 112.922 114.554 0.209 0.000 3.044 105 T HA 0.049 4.399 4.350 -0.000 0.000 0.250 105 T C 0.241 175.015 174.700 0.124 0.000 1.081 105 T CA 0.094 62.262 62.100 0.112 0.000 1.040 105 T CB -0.308 68.597 68.868 0.062 0.000 0.962 105 T HN 0.752 nan 8.240 nan 0.000 0.506 106 D N 1.203 121.764 120.400 0.268 0.000 2.229 106 D HA 0.545 5.185 4.640 -0.000 0.000 0.249 106 D C -0.823 175.700 176.300 0.372 0.000 1.027 106 D CA -0.593 53.558 54.000 0.253 0.000 0.923 106 D CB 1.782 42.745 40.800 0.272 0.000 1.174 106 D HN 0.126 nan 8.370 nan 0.000 0.443 107 S N 0.390 116.260 115.700 0.284 0.000 2.595 107 S HA 0.599 5.069 4.470 -0.000 0.000 0.281 107 S C -2.747 172.027 174.600 0.290 0.000 1.117 107 S CA -1.175 57.189 58.200 0.274 0.000 0.873 107 S CB 1.906 65.239 63.200 0.221 0.000 1.108 107 S HN 0.394 nan 8.310 nan 0.000 0.477 108 P HA 0.388 nan 4.420 nan 0.000 0.271 108 P C -0.543 176.960 177.300 0.339 0.000 1.216 108 P CA -0.233 62.966 63.100 0.166 0.000 0.771 108 P CB 0.076 31.646 31.700 -0.218 0.000 0.864 109 C N 1.323 120.840 119.300 0.362 0.000 3.253 109 C HA 0.601 5.061 4.460 -0.000 0.000 0.362 109 C C -1.569 173.300 174.990 -0.203 0.000 1.487 109 C CA -1.047 58.025 59.018 0.090 0.000 1.179 109 C CB 0.130 27.987 27.740 0.195 0.000 1.660 109 C HN 0.368 nan 8.230 nan 0.000 0.438 110 L N 1.210 122.065 121.223 -0.614 0.000 2.325 110 L HA 0.744 5.084 4.340 -0.000 0.000 0.278 110 L C 0.162 176.897 176.870 -0.225 0.000 1.023 110 L CA -0.427 54.121 54.840 -0.486 0.000 0.811 110 L CB 1.380 43.060 42.059 -0.633 0.000 1.249 110 L HN 0.736 nan 8.230 nan 0.000 0.431 111 R N 0.995 121.400 120.500 -0.158 0.000 2.803 111 R HA 0.584 4.924 4.340 -0.000 0.000 0.276 111 R C -1.113 175.147 176.300 -0.067 0.000 0.978 111 R CA -0.946 55.104 56.100 -0.084 0.000 0.939 111 R CB 2.419 32.684 30.300 -0.058 0.000 1.179 111 R HN 0.255 nan 8.270 nan 0.000 0.472 112 V N 2.823 122.719 119.914 -0.030 0.000 2.637 112 V HA 0.045 4.165 4.120 -0.000 0.000 0.296 112 V C 0.565 176.672 176.094 0.021 0.000 1.046 112 V CA 0.050 62.346 62.300 -0.007 0.000 1.066 112 V CB 0.568 32.385 31.823 -0.010 0.000 0.968 112 V HN 0.590 nan 8.190 nan 0.000 0.483 113 K N 3.851 124.270 120.400 0.031 0.000 2.180 113 K HA 0.254 4.574 4.320 -0.000 0.000 0.251 113 K C 1.209 177.863 176.600 0.090 0.000 1.014 113 K CA -0.718 55.588 56.287 0.032 0.000 0.913 113 K CB 0.523 33.022 32.500 -0.002 0.000 1.008 113 K HN 0.436 nan 8.250 nan 0.000 0.490 114 R N 1.332 121.859 120.500 0.046 0.000 2.081 114 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 114 R C 0.349 176.611 176.300 -0.064 0.000 1.131 114 R CA 1.522 57.648 56.100 0.042 0.000 0.960 114 R CB -0.137 30.167 30.300 0.007 0.000 0.856 114 R HN 0.487 nan 8.270 nan 0.000 0.436 115 R N 0.856 121.288 120.500 -0.114 0.000 2.272 115 R HA 0.148 4.488 4.340 -0.000 0.000 0.323 115 R C 0.607 176.828 176.300 -0.131 0.000 1.002 115 R CA -0.025 55.935 56.100 -0.233 0.000 0.900 115 R CB 1.348 31.546 30.300 -0.169 0.000 1.151 115 R HN 0.105 nan 8.270 nan 0.000 0.507 116 S N 1.958 117.598 115.700 -0.101 0.000 2.539 116 S HA 0.030 4.500 4.470 -0.000 0.000 0.221 116 S C 0.836 175.453 174.600 0.030 0.000 0.987 116 S CA -0.374 57.862 58.200 0.061 0.000 0.929 116 S CB 0.302 63.658 63.200 0.260 0.000 0.832 116 S HN 0.455 nan 8.310 nan 0.000 0.492 117 R N 2.152 122.605 120.500 -0.078 0.000 2.399 117 R HA 0.231 4.571 4.340 -0.000 0.000 0.324 117 R C -0.678 175.556 176.300 -0.110 0.000 1.030 117 R CA 0.134 56.119 56.100 -0.193 0.000 0.984 117 R CB 0.213 30.297 30.300 -0.360 0.000 0.961 117 R HN 0.351 nan 8.270 nan 0.000 0.433 118 R N 2.334 122.854 120.500 0.034 0.000 2.673 118 R HA 0.377 4.717 4.340 -0.000 0.000 0.281 118 R C -1.228 175.238 176.300 0.277 0.000 0.991 118 R CA -0.844 55.319 56.100 0.105 0.000 0.896 118 R CB 2.665 33.012 30.300 0.078 0.000 1.201 118 R HN 0.523 nan 8.270 nan 0.000 0.457 119 S N 1.624 117.441 115.700 0.195 0.000 2.575 119 S HA 0.410 4.879 4.470 -0.000 0.000 0.278 119 S C -1.452 173.231 174.600 0.139 0.000 1.139 119 S CA -0.609 57.715 58.200 0.207 0.000 0.954 119 S CB 2.304 65.627 63.200 0.207 0.000 1.054 119 S HN 0.477 nan 8.310 nan 0.000 0.483 120 Q N 1.238 121.132 119.800 0.157 0.000 2.320 120 Q HA 0.440 4.780 4.340 -0.000 0.000 0.272 120 Q C -0.415 175.689 176.000 0.174 0.000 1.023 120 Q CA -0.553 55.336 55.803 0.143 0.000 0.855 120 Q CB 1.512 30.333 28.738 0.137 0.000 1.367 120 Q HN 1.108 nan 8.270 nan 0.000 0.406 121 V N 1.298 121.273 119.914 0.103 0.000 5.257 121 V HA -0.194 3.926 4.120 -0.000 0.000 0.265 121 V C 0.861 176.903 176.094 -0.087 0.000 0.646 121 V CA 1.911 64.239 62.300 0.046 0.000 0.650 121 V CB -2.474 29.408 31.823 0.098 0.000 0.424 121 V HN 1.686 nan 8.190 nan 0.000 0.862 122 G N -1.620 107.130 108.800 -0.083 0.000 2.176 122 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 122 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 122 G C -0.302 174.433 174.900 -0.275 0.000 0.979 122 G CA 0.151 45.129 45.100 -0.203 0.000 0.641 122 G HN 1.271 nan 8.290 nan 0.000 0.530 123 F N 1.329 121.272 119.950 -0.012 0.000 2.422 123 F HA 0.591 5.118 4.527 -0.000 0.000 0.333 123 F C 0.842 176.599 175.800 -0.071 0.000 1.095 123 F CA -0.600 57.379 58.000 -0.034 0.000 1.038 123 F CB 1.416 40.410 39.000 -0.011 0.000 1.156 123 F HN 0.051 nan 8.300 nan 0.000 0.483 124 Q N 3.391 123.211 119.800 0.033 0.000 2.314 124 Q HA 0.414 4.754 4.340 -0.000 0.000 0.259 124 Q C -0.811 175.136 176.000 -0.087 0.000 0.951 124 Q CA -0.634 54.989 55.803 -0.299 0.000 0.909 124 Q CB 1.910 30.174 28.738 -0.789 0.000 1.236 124 Q HN 0.651 nan 8.270 nan 0.000 0.444 125 Q N 0.730 120.583 119.800 0.089 0.000 2.418 125 Q HA 0.681 5.021 4.340 -0.000 0.000 0.276 125 Q C -1.060 175.052 176.000 0.186 0.000 1.081 125 Q CA -0.992 54.877 55.803 0.109 0.000 0.864 125 Q CB 2.456 31.245 28.738 0.084 0.000 1.384 125 Q HN 0.344 nan 8.270 nan 0.000 0.467 126 V N 0.957 120.928 119.914 0.095 0.000 2.380 126 V HA 0.400 4.520 4.120 -0.000 0.000 0.286 126 V C 0.079 176.192 176.094 0.032 0.000 1.015 126 V CA -0.844 61.510 62.300 0.089 0.000 0.834 126 V CB 1.241 33.100 31.823 0.060 0.000 1.009 126 V HN 0.863 nan 8.190 nan 0.000 0.428 127 G N 3.696 112.515 108.800 0.031 0.000 2.380 127 G HA2 0.472 4.432 3.960 -0.000 0.000 0.242 127 G HA3 0.472 4.432 3.960 -0.000 0.000 0.242 127 G C -0.185 174.693 174.900 -0.036 0.000 1.298 127 G CA 0.241 45.332 45.100 -0.015 0.000 0.878 127 G HN 1.087 nan 8.290 nan 0.000 0.542 128 V N -0.088 119.773 119.914 -0.089 0.000 3.040 128 V HA 0.784 4.904 4.120 -0.000 0.000 0.312 128 V C -0.462 175.533 176.094 -0.166 0.000 1.115 128 V CA -1.322 60.904 62.300 -0.123 0.000 0.998 128 V CB 2.099 33.822 31.823 -0.167 0.000 1.042 128 V HN 0.789 nan 8.190 nan 0.000 0.433 129 E N 1.455 121.556 120.200 -0.166 0.000 2.183 129 E HA 0.550 4.899 4.350 -0.000 0.000 0.271 129 E C -0.389 176.058 176.600 -0.255 0.000 0.919 129 E CA -0.569 55.730 56.400 -0.168 0.000 0.781 129 E CB 1.916 31.570 29.700 -0.077 0.000 1.140 129 E HN 1.037 nan 8.360 nan 0.000 0.402 130 T N 1.444 115.804 114.554 -0.323 0.000 2.884 130 T HA 0.194 4.544 4.350 -0.000 0.000 0.298 130 T C -0.564 174.107 174.700 -0.049 0.000 0.998 130 T CA -0.386 61.454 62.100 -0.433 0.000 1.124 130 T CB 0.366 68.914 68.868 -0.533 0.000 0.931 130 T HN 0.444 nan 8.240 nan 0.000 0.531 131 Y N 2.003 122.283 120.300 -0.034 0.000 2.338 131 Y HA 0.535 5.085 4.550 -0.000 0.000 0.333 131 Y C 0.432 176.419 175.900 0.145 0.000 0.968 131 Y CA 0.473 58.601 58.100 0.047 0.000 1.123 131 Y CB 0.837 39.298 38.460 0.002 0.000 1.165 131 Y HN 1.417 nan 8.280 nan 0.000 0.452 132 G N 2.951 111.537 108.800 -0.357 0.000 2.782 132 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.228 132 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.228 132 G C 0.089 174.936 174.900 -0.088 0.000 1.372 132 G CA -0.461 44.448 45.100 -0.318 0.000 0.862 132 G HN 1.495 nan 8.290 nan 0.000 0.547 133 G N 0.453 109.136 108.800 -0.194 0.000 3.343 133 G HA2 0.674 4.634 3.960 -0.000 0.000 0.279 133 G HA3 0.674 4.634 3.960 -0.000 0.000 0.279 133 G C 0.759 175.449 174.900 -0.349 0.000 0.919 133 G CA 1.055 46.073 45.100 -0.137 0.000 1.812 133 G HN 1.520 nan 8.290 nan 0.000 0.584 134 G N 0.494 108.774 108.800 -0.867 0.000 2.527 134 G HA2 0.394 4.354 3.960 -0.000 0.000 0.248 134 G HA3 0.394 4.354 3.960 -0.000 0.000 0.248 134 G C 0.234 174.408 174.900 -1.211 0.000 1.231 134 G CA -0.768 43.571 45.100 -1.268 0.000 0.838 134 G HN 0.513 nan 8.290 nan 0.000 0.570 135 I N 1.612 121.892 120.570 -0.484 0.000 2.260 135 I HA 0.074 4.244 4.170 -0.000 0.000 0.297 135 I C 0.373 176.509 176.117 0.030 0.000 1.143 135 I CA -0.208 60.961 61.300 -0.219 0.000 1.271 135 I CB 0.343 38.342 38.000 -0.002 0.000 1.461 135 I HN 0.730 nan 8.210 nan 0.000 0.530 136 W N 2.774 124.241 121.300 0.279 0.000 2.465 136 W HA -0.188 4.472 4.660 -0.000 0.000 0.268 136 W C 2.687 179.539 176.519 0.556 0.000 1.242 136 W CA 0.626 58.181 57.345 0.349 0.000 1.248 136 W CB -0.160 29.409 29.460 0.180 0.000 1.118 136 W HN 0.622 nan 8.180 nan 0.000 0.587 137 S N -0.045 116.041 115.700 0.643 0.000 2.423 137 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 137 S C 1.790 176.748 174.600 0.597 0.000 1.014 137 S CA 1.596 60.217 58.200 0.701 0.000 0.965 137 S CB -1.203 62.344 63.200 0.578 0.000 0.785 137 S HN 0.338 nan 8.310 nan 0.000 0.495 138 T N -3.001 111.823 114.554 0.450 0.000 2.962 138 T HA -0.022 4.328 4.350 -0.000 0.000 0.270 138 T C 1.193 176.004 174.700 0.185 0.000 1.088 138 T CA 0.552 62.802 62.100 0.250 0.000 1.127 138 T CB -0.765 68.164 68.868 0.103 0.000 0.883 138 T HN 0.600 nan 8.240 nan 0.000 0.493 139 W N 0.693 122.176 121.300 0.305 0.000 2.800 139 W HA 0.421 5.081 4.660 -0.000 0.000 0.249 139 W C 0.191 176.760 176.519 0.083 0.000 1.294 139 W CA -1.235 56.225 57.345 0.190 0.000 1.402 139 W CB -0.550 29.032 29.460 0.204 0.000 1.126 139 W HN 0.109 nan 8.180 nan 0.000 0.652 140 F N 2.298 122.376 119.950 0.212 0.000 2.471 140 F HA 0.018 4.545 4.527 -0.000 0.000 0.353 140 F C 0.956 176.773 175.800 0.029 0.000 1.113 140 F CA 0.130 58.137 58.000 0.011 0.000 1.262 140 F CB 0.353 39.157 39.000 -0.325 0.000 1.146 140 F HN -0.149 nan 8.300 nan 0.000 0.578 141 D N 1.476 121.974 120.400 0.163 0.000 2.708 141 D HA -0.210 4.430 4.640 -0.000 0.000 0.236 141 D C -0.326 176.021 176.300 0.079 0.000 1.146 141 D CA 0.610 54.688 54.000 0.131 0.000 0.662 141 D CB -0.674 40.243 40.800 0.195 0.000 1.059 141 D HN 0.306 nan 8.370 nan 0.000 0.428 142 R N 0.342 120.869 120.500 0.046 0.000 2.711 142 R HA 0.365 4.705 4.340 -0.000 0.000 0.284 142 R C -0.351 175.951 176.300 0.004 0.000 0.968 142 R CA -0.750 55.351 56.100 0.002 0.000 0.924 142 R CB 0.947 31.212 30.300 -0.058 0.000 1.162 142 R HN -0.148 nan 8.270 nan 0.000 0.465 143 D N 2.859 123.257 120.400 -0.004 0.000 2.435 143 D HA 0.223 4.863 4.640 -0.000 0.000 0.230 143 D C 0.135 176.439 176.300 0.005 0.000 1.215 143 D CA 0.142 54.144 54.000 0.003 0.000 0.947 143 D CB 0.262 41.064 40.800 0.003 0.000 1.048 143 D HN 0.146 nan 8.370 nan 0.000 0.512 144 L N 0.959 122.196 121.223 0.023 0.000 2.387 144 L HA 0.604 4.944 4.340 -0.000 0.000 0.266 144 L C 0.926 177.823 176.870 0.045 0.000 1.059 144 L CA -0.438 54.431 54.840 0.049 0.000 0.801 144 L CB 1.743 43.864 42.059 0.103 0.000 1.223 144 L HN 0.193 nan 8.230 nan 0.000 0.456 145 T N 0.354 114.947 114.554 0.065 0.000 2.696 145 T HA 0.644 4.994 4.350 -0.000 0.000 0.291 145 T C -1.365 173.376 174.700 0.067 0.000 1.095 145 T CA -0.527 61.602 62.100 0.049 0.000 1.026 145 T CB 1.221 70.107 68.868 0.031 0.000 1.390 145 T HN 0.329 nan 8.240 nan 0.000 0.513 146 L N 1.350 122.599 121.223 0.043 0.000 2.346 146 L HA 0.883 5.223 4.340 -0.000 0.000 0.274 146 L C -0.464 176.444 176.870 0.062 0.000 1.007 146 L CA -1.011 53.852 54.840 0.038 0.000 0.818 146 L CB 1.880 43.935 42.059 -0.007 0.000 1.284 146 L HN 0.804 nan 8.230 nan 0.000 0.424 147 A N 1.605 124.448 122.820 0.038 0.000 2.488 147 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 147 A C -0.395 177.271 177.584 0.136 0.000 1.045 147 A CA 0.224 52.262 52.037 0.002 0.000 0.703 147 A CB 1.826 20.637 19.000 -0.316 0.000 1.271 147 A HN 0.868 nan 8.150 nan 0.000 0.400 148 G N 1.126 110.095 108.800 0.282 0.000 2.498 148 G HA2 0.586 4.545 3.960 -0.000 0.000 0.181 148 G HA3 0.586 4.545 3.960 -0.000 0.000 0.181 148 G C -1.088 173.843 174.900 0.050 0.000 1.169 148 G CA -0.061 45.214 45.100 0.291 0.000 0.992 148 G HN 1.434 nan 8.290 nan 0.000 0.490 149 R N -1.156 119.204 120.500 -0.234 0.000 2.807 149 R HA 0.822 5.162 4.340 -0.000 0.000 0.276 149 R C -0.807 175.357 176.300 -0.226 0.000 0.979 149 R CA -0.795 55.090 56.100 -0.359 0.000 0.928 149 R CB 2.305 32.139 30.300 -0.777 0.000 1.191 149 R HN 1.253 nan 8.270 nan 0.000 0.471 150 V N -0.031 119.788 119.914 -0.157 0.000 2.656 150 V HA 0.603 4.723 4.120 -0.000 0.000 0.307 150 V C -0.473 175.565 176.094 -0.094 0.000 1.051 150 V CA -1.087 61.152 62.300 -0.100 0.000 0.893 150 V CB 1.804 33.594 31.823 -0.055 0.000 0.999 150 V HN 0.669 nan 8.190 nan 0.000 0.426 151 I N 5.951 126.478 120.570 -0.072 0.000 2.315 151 I HA 0.551 4.721 4.170 -0.000 0.000 0.291 151 I C 0.253 176.353 176.117 -0.029 0.000 1.006 151 I CA -0.372 60.897 61.300 -0.052 0.000 1.265 151 I CB 1.250 39.223 38.000 -0.045 0.000 1.387 151 I HN 0.803 nan 8.210 nan 0.000 0.475 152 V N 3.815 123.715 119.914 -0.023 0.000 2.715 152 V HA 0.582 4.702 4.120 -0.000 0.000 0.310 152 V C -0.224 175.865 176.094 -0.007 0.000 1.054 152 V CA -1.050 61.243 62.300 -0.011 0.000 0.928 152 V CB 2.149 33.967 31.823 -0.008 0.000 1.007 152 V HN 0.766 nan 8.190 nan 0.000 0.437 153 K N 3.689 124.087 120.400 -0.002 0.000 2.268 153 K HA 0.406 4.726 4.320 -0.000 0.000 0.276 153 K C -0.354 176.246 176.600 0.001 0.000 1.080 153 K CA -0.438 55.849 56.287 -0.001 0.000 0.910 153 K CB 0.472 32.973 32.500 0.001 0.000 1.163 153 K HN 1.021 nan 8.250 nan 0.000 0.465 154 C N 7.635 126.936 119.300 0.001 0.000 2.519 154 C HA 0.034 4.494 4.460 -0.000 0.000 0.402 154 C C -0.681 174.311 174.990 0.003 0.000 1.475 154 C CA -1.583 57.436 59.018 0.002 0.000 1.504 154 C CB 0.106 27.848 27.740 0.002 0.000 2.454 154 C HN 0.776 nan 8.230 nan 0.000 0.615 155 P HA -0.074 nan 4.420 nan 0.000 0.218 155 P C 1.420 178.722 177.300 0.003 0.000 1.149 155 P CA 1.746 64.848 63.100 0.004 0.000 0.817 155 P CB -0.084 31.619 31.700 0.004 0.000 0.785 156 T N 0.437 114.993 114.554 0.003 0.000 2.668 156 T HA -0.099 4.251 4.350 -0.000 0.000 0.262 156 T C 2.164 176.866 174.700 0.003 0.000 1.045 156 T CA 2.389 64.491 62.100 0.003 0.000 1.152 156 T CB -0.803 68.067 68.868 0.004 0.000 0.864 156 T HN 0.308 nan 8.240 nan 0.000 0.419 157 S N 0.157 115.859 115.700 0.003 0.000 2.421 157 S HA 0.334 4.804 4.470 -0.000 0.000 0.224 157 S C 2.061 176.663 174.600 0.003 0.000 1.035 157 S CA 0.869 59.071 58.200 0.003 0.000 0.953 157 S CB -0.316 62.887 63.200 0.004 0.000 0.810 157 S HN 0.807 nan 8.310 nan 0.000 0.497 158 G N 0.664 109.466 108.800 0.003 0.000 2.195 158 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 158 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 158 G C 0.272 175.173 174.900 0.002 0.000 0.984 158 G CA 0.058 45.160 45.100 0.002 0.000 0.633 158 G HN 0.632 nan 8.290 nan 0.000 0.525 159 R N -0.102 120.399 120.500 0.002 0.000 2.438 159 R HA 0.596 4.936 4.340 -0.000 0.000 0.287 159 R C 1.062 177.362 176.300 0.000 0.000 1.077 159 R CA -0.307 55.794 56.100 0.002 0.000 1.034 159 R CB 0.644 30.946 30.300 0.003 0.000 0.993 159 R HN 0.409 nan 8.270 nan 0.000 0.459 160 L N 2.896 124.118 121.223 -0.001 0.000 2.410 160 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 160 L C 0.753 177.620 176.870 -0.005 0.000 1.152 160 L CA 0.488 55.326 54.840 -0.004 0.000 0.855 160 L CB 0.350 42.406 42.059 -0.004 0.000 1.129 160 L HN 0.647 nan 8.230 nan 0.000 0.463 161 E N 2.677 122.871 120.200 -0.010 0.000 2.369 161 E HA 0.376 4.726 4.350 -0.000 0.000 0.270 161 E C -1.312 175.271 176.600 -0.027 0.000 0.909 161 E CA -0.875 55.517 56.400 -0.013 0.000 0.775 161 E CB 2.711 32.405 29.700 -0.009 0.000 1.270 161 E HN 0.454 nan 8.360 nan 0.000 0.445 162 Q N 1.660 121.438 119.800 -0.036 0.000 2.312 162 Q HA 0.233 4.573 4.340 -0.000 0.000 0.263 162 Q C -1.221 174.743 176.000 -0.060 0.000 0.995 162 Q CA -0.646 55.118 55.803 -0.065 0.000 0.853 162 Q CB 1.182 29.870 28.738 -0.083 0.000 1.300 162 Q HN 0.329 nan 8.270 nan 0.000 0.448 163 Q N 3.088 122.844 119.800 -0.074 0.000 2.372 163 Q HA 0.458 4.798 4.340 -0.000 0.000 0.273 163 Q C -0.906 175.043 176.000 -0.086 0.000 1.078 163 Q CA -0.639 55.130 55.803 -0.056 0.000 0.806 163 Q CB 2.166 30.892 28.738 -0.020 0.000 1.332 163 Q HN 0.718 nan 8.270 nan 0.000 0.435 164 L N 0.755 121.929 121.223 -0.081 0.000 2.399 164 L HA 0.669 5.008 4.340 -0.000 0.000 0.266 164 L C 0.094 176.997 176.870 0.055 0.000 1.114 164 L CA -0.914 53.870 54.840 -0.095 0.000 0.804 164 L CB 1.199 43.098 42.059 -0.268 0.000 1.146 164 L HN 0.256 nan 8.230 nan 0.000 0.451 165 V N 1.555 121.561 119.914 0.153 0.000 2.841 165 V HA 0.460 4.580 4.120 -0.000 0.000 0.310 165 V C -1.415 174.819 176.094 0.232 0.000 1.090 165 V CA -0.308 62.087 62.300 0.157 0.000 0.930 165 V CB 2.117 33.963 31.823 0.038 0.000 1.014 165 V HN 0.859 nan 8.190 nan 0.000 0.425 166 H N 4.834 123.892 119.070 -0.021 0.000 3.181 166 H HA 0.527 5.083 4.556 -0.000 0.000 0.331 166 H C -1.753 173.448 175.328 -0.213 0.000 0.988 166 H CA -0.611 55.349 56.048 -0.146 0.000 1.449 166 H CB 1.986 31.633 29.762 -0.191 0.000 1.749 166 H HN 0.525 nan 8.280 nan 0.000 0.501 167 V N 5.865 125.601 119.914 -0.296 0.000 2.389 167 V HA 0.024 4.144 4.120 -0.000 0.000 0.264 167 V C 0.481 176.361 176.094 -0.358 0.000 1.049 167 V CA 0.035 62.092 62.300 -0.406 0.000 0.932 167 V CB 0.983 32.620 31.823 -0.311 0.000 1.011 167 V HN 0.816 nan 8.190 nan 0.000 0.475 168 E N 6.548 126.556 120.200 -0.319 0.000 2.368 168 E HA 0.293 4.643 4.350 -0.000 0.000 0.283 168 E C 0.202 176.718 176.600 -0.140 0.000 1.476 168 E CA -0.202 55.983 56.400 -0.359 0.000 1.786 168 E CB 0.150 29.674 29.700 -0.294 0.000 1.518 168 E HN 0.735 nan 8.360 nan 0.000 0.456 169 R N -1.202 119.242 120.500 -0.094 0.000 2.709 169 R HA 0.377 4.717 4.340 -0.000 0.000 0.270 169 R C -3.337 172.950 176.300 -0.022 0.000 1.038 169 R CA -2.048 54.029 56.100 -0.038 0.000 0.872 169 R CB 0.398 30.690 30.300 -0.013 0.000 1.259 169 R HN -0.203 nan 8.270 nan 0.000 0.473 170 P HA 0.219 nan 4.420 nan 0.000 0.279 170 P C 0.289 177.592 177.300 0.005 0.000 1.318 170 P CA -0.414 62.687 63.100 0.002 0.000 0.819 170 P CB 0.332 32.035 31.700 0.005 0.000 0.927 171 I N 0.257 120.831 120.570 0.005 0.000 4.187 171 I HA 0.314 4.484 4.170 -0.000 0.000 0.326 171 I C -0.035 176.087 176.117 0.008 0.000 1.302 171 I CA 0.154 61.458 61.300 0.007 0.000 1.196 171 I CB 0.202 38.204 38.000 0.003 0.000 1.095 171 I HN 0.030 nan 8.210 nan 0.000 0.411 172 L N 1.460 122.689 121.223 0.010 0.000 2.354 172 L HA 0.719 5.059 4.340 -0.000 0.000 0.264 172 L C -0.739 176.132 176.870 0.002 0.000 1.008 172 L CA -0.873 53.970 54.840 0.005 0.000 0.819 172 L CB 2.147 44.216 42.059 0.016 0.000 1.339 172 L HN 0.061 nan 8.230 nan 0.000 0.420 173 R N 1.968 122.455 120.500 -0.022 0.000 2.535 173 R HA 0.521 4.861 4.340 -0.000 0.000 0.274 173 R C -2.008 174.243 176.300 -0.081 0.000 1.090 173 R CA -0.292 55.787 56.100 -0.034 0.000 0.930 173 R CB 1.105 31.385 30.300 -0.033 0.000 1.223 173 R HN 0.547 nan 8.270 nan 0.000 0.441 174 I N 7.042 127.549 120.570 -0.105 0.000 2.310 174 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 174 I C -1.964 174.043 176.117 -0.184 0.000 1.073 174 I CA -1.865 59.298 61.300 -0.230 0.000 1.216 174 I CB 1.455 39.207 38.000 -0.413 0.000 1.415 174 I HN 0.407 nan 8.210 nan 0.000 0.480 175 P HA 0.217 nan 4.420 nan 0.000 0.284 175 P C -0.540 176.883 177.300 0.206 0.000 1.258 175 P CA -0.361 62.770 63.100 0.051 0.000 0.824 175 P CB 0.867 32.572 31.700 0.007 0.000 1.038 176 H N 0.814 120.068 119.070 0.308 0.000 2.771 176 H HA 0.068 4.624 4.556 -0.000 0.000 0.364 176 H C 0.212 175.600 175.328 0.099 0.000 1.133 176 H CA 0.205 56.375 56.048 0.202 0.000 1.423 176 H CB 0.554 30.313 29.762 -0.006 0.000 1.425 176 H HN 0.331 nan 8.280 nan 0.000 0.606 177 L N 1.790 123.140 121.223 0.211 0.000 2.380 177 L HA 0.297 4.637 4.340 -0.000 0.000 0.273 177 L C 0.172 177.094 176.870 0.087 0.000 1.138 177 L CA -0.301 54.609 54.840 0.116 0.000 0.832 177 L CB 0.376 42.480 42.059 0.074 0.000 1.124 177 L HN 0.673 nan 8.230 nan 0.000 0.454 178 A N 5.240 128.109 122.820 0.082 0.000 2.531 178 A HA 0.014 4.334 4.320 -0.000 0.000 0.236 178 A C 1.382 179.036 177.584 0.117 0.000 1.062 178 A CA 0.571 52.677 52.037 0.116 0.000 0.760 178 A CB -0.375 18.689 19.000 0.108 0.000 0.995 178 A HN 1.046 nan 8.150 nan 0.000 0.501 179 I N 1.210 121.824 120.570 0.073 0.000 2.300 179 I HA -0.330 3.840 4.170 -0.000 0.000 0.252 179 I C 1.930 178.034 176.117 -0.022 0.000 1.119 179 I CA 2.076 63.348 61.300 -0.047 0.000 1.384 179 I CB -0.166 37.737 38.000 -0.161 0.000 1.062 179 I HN 0.892 nan 8.210 nan 0.000 0.426 180 H N 0.493 119.542 119.070 -0.035 0.000 2.426 180 H HA -0.124 4.432 4.556 -0.000 0.000 0.298 180 H C 1.621 176.943 175.328 -0.010 0.000 1.107 180 H CA 1.476 57.513 56.048 -0.019 0.000 1.298 180 H CB -0.442 29.315 29.762 -0.010 0.000 1.377 180 H HN 0.367 nan 8.280 nan 0.000 0.519 181 L N -0.318 120.984 121.223 0.132 0.000 2.667 181 L HA 0.184 4.524 4.340 -0.000 0.000 0.232 181 L C 0.533 177.429 176.870 0.043 0.000 1.138 181 L CA 0.179 55.064 54.840 0.074 0.000 0.921 181 L CB 0.494 42.594 42.059 0.069 0.000 1.180 181 L HN 0.214 nan 8.230 nan 0.000 0.487 182 Q N 0.161 119.975 119.800 0.023 0.000 3.449 182 Q HA 0.181 4.521 4.340 -0.000 0.000 0.272 182 Q C 0.604 176.590 176.000 -0.025 0.000 0.787 182 Q CA -0.159 55.646 55.803 0.004 0.000 0.904 182 Q CB 0.561 29.298 28.738 -0.000 0.000 1.536 182 Q HN 0.201 nan 8.270 nan 0.000 0.387 183 R N 0.103 120.590 120.500 -0.023 0.000 2.193 183 R HA -0.080 4.259 4.340 -0.000 0.000 0.229 183 R C 1.428 177.699 176.300 -0.049 0.000 1.110 183 R CA 1.592 57.663 56.100 -0.049 0.000 0.988 183 R CB 0.150 30.426 30.300 -0.039 0.000 0.871 183 R HN 0.518 nan 8.270 nan 0.000 0.458 184 N N 0.775 119.460 118.700 -0.026 0.000 2.336 184 N HA -0.088 4.652 4.740 -0.000 0.000 0.189 184 N C 1.518 177.021 175.510 -0.011 0.000 1.113 184 N CA 0.248 53.290 53.050 -0.014 0.000 0.858 184 N CB -0.032 38.460 38.487 0.008 0.000 0.970 184 N HN 0.255 nan 8.380 nan 0.000 0.471 185 I N 1.184 121.731 120.570 -0.039 0.000 2.248 185 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 185 I C 1.186 177.266 176.117 -0.062 0.000 1.107 185 I CA 1.301 62.566 61.300 -0.059 0.000 1.373 185 I CB -0.049 37.828 38.000 -0.206 0.000 1.055 185 I HN 0.038 nan 8.210 nan 0.000 0.418 186 N N 0.626 119.278 118.700 -0.080 0.000 2.409 186 N HA -0.112 4.628 4.740 -0.000 0.000 0.179 186 N C 1.471 176.971 175.510 -0.017 0.000 1.032 186 N CA 0.842 53.852 53.050 -0.067 0.000 0.898 186 N CB -0.074 38.366 38.487 -0.079 0.000 0.971 186 N HN 0.486 nan 8.380 nan 0.000 0.441 187 E N -0.088 120.110 120.200 -0.003 0.000 2.276 187 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 187 E C 0.064 176.685 176.600 0.036 0.000 0.983 187 E CA 0.353 56.759 56.400 0.011 0.000 0.861 187 E CB 0.192 29.893 29.700 0.003 0.000 0.817 187 E HN 0.132 nan 8.360 nan 0.000 0.485 188 N N -0.197 118.541 118.700 0.062 0.000 2.697 188 N HA 0.091 4.831 4.740 -0.000 0.000 0.271 188 N C -2.093 173.519 175.510 0.170 0.000 1.149 188 N CA -0.342 52.761 53.050 0.088 0.000 0.939 188 N CB 0.506 39.026 38.487 0.056 0.000 1.534 188 N HN -0.040 nan 8.380 nan 0.000 0.556 189 F N 2.382 122.328 119.950 -0.006 0.000 2.507 189 F HA 0.705 5.232 4.527 -0.000 0.000 0.328 189 F C -0.058 175.758 175.800 0.026 0.000 1.136 189 F CA -0.524 57.471 58.000 -0.009 0.000 0.930 189 F CB 1.754 40.734 39.000 -0.034 0.000 1.166 189 F HN 0.514 nan 8.300 nan 0.000 0.436 190 G N 6.922 115.444 108.800 -0.464 0.000 3.703 190 G HA2 0.312 4.272 3.960 -0.000 0.000 0.311 190 G HA3 0.312 4.272 3.960 -0.000 0.000 0.311 190 G C -3.143 171.564 174.900 -0.322 0.000 1.430 190 G CA -0.974 43.911 45.100 -0.358 0.000 0.785 190 G HN 0.433 nan 8.290 nan 0.000 0.491 191 P HA 0.113 nan 4.420 nan 0.000 0.271 191 P C -0.281 177.100 177.300 0.135 0.000 1.216 191 P CA -0.462 62.597 63.100 -0.068 0.000 0.776 191 P CB 1.205 32.909 31.700 0.006 0.000 0.881 192 N N 1.886 120.761 118.700 0.291 0.000 2.438 192 N HA -0.024 4.716 4.740 -0.000 0.000 0.267 192 N C 1.221 176.679 175.510 -0.086 0.000 1.222 192 N CA 0.299 53.311 53.050 -0.063 0.000 0.930 192 N CB 0.703 38.952 38.487 -0.397 0.000 1.083 192 N HN 0.431 nan 8.380 nan 0.000 0.476 193 T N 0.680 115.177 114.554 -0.095 0.000 3.007 193 T HA -0.138 4.212 4.350 -0.000 0.000 0.270 193 T C 1.300 175.873 174.700 -0.212 0.000 1.107 193 T CA 0.943 62.931 62.100 -0.186 0.000 1.118 193 T CB 0.152 68.871 68.868 -0.248 0.000 0.889 193 T HN 0.537 nan 8.240 nan 0.000 0.506 194 E N 0.381 120.474 120.200 -0.178 0.000 2.166 194 E HA 0.145 4.495 4.350 -0.000 0.000 0.192 194 E C 1.908 178.412 176.600 -0.160 0.000 0.967 194 E CA 0.626 56.929 56.400 -0.162 0.000 0.840 194 E CB -0.112 29.510 29.700 -0.131 0.000 0.795 194 E HN 0.353 nan 8.360 nan 0.000 0.470 195 M N -0.849 118.616 119.600 -0.225 0.000 2.567 195 M HA 0.163 4.642 4.480 -0.000 0.000 0.261 195 M C 0.955 177.179 176.300 -0.126 0.000 1.180 195 M CA 0.840 56.006 55.300 -0.223 0.000 1.143 195 M CB -0.430 31.965 32.600 -0.341 0.000 1.319 195 M HN 0.246 nan 8.290 nan 0.000 0.490 196 H N -0.676 118.411 119.070 0.028 0.000 2.622 196 H HA 0.309 4.865 4.556 -0.000 0.000 0.269 196 H C 1.184 176.516 175.328 0.007 0.000 0.977 196 H CA -0.043 56.070 56.048 0.108 0.000 1.179 196 H CB 0.905 30.821 29.762 0.257 0.000 1.458 196 H HN 0.113 nan 8.280 nan 0.000 0.531 197 L N 1.487 122.692 121.223 -0.030 0.000 2.791 197 L HA 0.179 4.519 4.340 -0.000 0.000 0.239 197 L C -0.380 176.362 176.870 -0.212 0.000 1.203 197 L CA -0.153 54.554 54.840 -0.221 0.000 1.002 197 L CB 0.666 42.551 42.059 -0.290 0.000 1.295 197 L HN 0.039 nan 8.230 nan 0.000 0.504 198 V N 2.503 122.338 119.914 -0.133 0.000 2.368 198 V HA 0.229 4.349 4.120 -0.000 0.000 0.266 198 V C -1.804 174.227 176.094 -0.104 0.000 1.045 198 V CA -1.433 60.806 62.300 -0.101 0.000 0.899 198 V CB 0.626 32.418 31.823 -0.053 0.000 1.006 198 V HN 0.080 nan 8.190 nan 0.000 0.470 199 P HA 0.322 nan 4.420 nan 0.000 0.274 199 P C -0.510 176.747 177.300 -0.072 0.000 1.231 199 P CA -0.238 62.810 63.100 -0.088 0.000 0.790 199 P CB 1.352 33.020 31.700 -0.053 0.000 0.951 200 I N 2.456 122.963 120.570 -0.104 0.000 2.353 200 I HA 0.111 4.281 4.170 -0.000 0.000 0.293 200 I C 1.494 177.587 176.117 -0.040 0.000 0.992 200 I CA -0.382 60.856 61.300 -0.104 0.000 1.268 200 I CB 1.461 39.311 38.000 -0.250 0.000 1.387 200 I HN 0.263 nan 8.210 nan 0.000 0.478 201 L N 6.603 127.822 121.223 -0.007 0.000 2.467 201 L HA 0.592 4.932 4.340 -0.000 0.000 0.213 201 L C 0.486 177.365 176.870 0.015 0.000 1.053 201 L CA 0.795 55.637 54.840 0.003 0.000 0.847 201 L CB 0.199 42.260 42.059 0.002 0.000 1.075 201 L HN 0.731 nan 8.230 nan 0.000 0.479 202 A N -1.881 120.956 122.820 0.029 0.000 2.536 202 A HA 0.634 4.954 4.320 -0.000 0.000 0.293 202 A C -0.852 176.788 177.584 0.093 0.000 1.119 202 A CA 0.086 52.148 52.037 0.041 0.000 0.654 202 A CB 0.241 19.231 19.000 -0.018 0.000 1.291 202 A HN 0.122 nan 8.150 nan 0.000 0.439 203 T N -1.999 112.578 114.554 0.039 0.000 2.918 203 T HA 0.649 4.999 4.350 -0.000 0.000 0.286 203 T C 1.117 175.775 174.700 -0.069 0.000 1.026 203 T CA 0.238 62.313 62.100 -0.041 0.000 1.031 203 T CB 1.580 70.381 68.868 -0.112 0.000 1.046 203 T HN 1.942 nan 8.240 nan 0.000 0.479 204 A N 1.812 124.577 122.820 -0.090 0.000 1.940 204 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 204 A C 2.135 179.688 177.584 -0.051 0.000 1.176 204 A CA 1.274 53.274 52.037 -0.061 0.000 0.631 204 A CB -1.072 17.898 19.000 -0.050 0.000 0.814 204 A HN 0.904 nan 8.150 nan 0.000 0.446 205 I N -0.730 119.798 120.570 -0.069 0.000 2.127 205 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 205 I C 2.755 178.852 176.117 -0.034 0.000 1.075 205 I CA 1.386 62.654 61.300 -0.052 0.000 1.334 205 I CB -0.322 37.639 38.000 -0.066 0.000 1.040 205 I HN 0.314 nan 8.210 nan 0.000 0.405 206 Q N 0.293 120.074 119.800 -0.032 0.000 2.079 206 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 206 Q C 2.008 178.001 176.000 -0.011 0.000 0.974 206 Q CA 1.312 57.105 55.803 -0.016 0.000 0.840 206 Q CB -0.464 28.270 28.738 -0.008 0.000 0.898 206 Q HN 0.519 nan 8.270 nan 0.000 0.430 207 E N 0.776 120.967 120.200 -0.015 0.000 2.097 207 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 207 E C 1.819 178.418 176.600 -0.001 0.000 1.000 207 E CA 1.286 57.682 56.400 -0.006 0.000 0.804 207 E CB 0.102 29.797 29.700 -0.008 0.000 0.740 207 E HN 0.418 nan 8.360 nan 0.000 0.454 208 E N 0.080 120.276 120.200 -0.006 0.000 2.072 208 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 208 E C 2.320 178.918 176.600 -0.003 0.000 0.985 208 E CA 0.662 57.060 56.400 -0.003 0.000 0.801 208 E CB 0.007 29.703 29.700 -0.007 0.000 0.750 208 E HN 0.264 nan 8.360 nan 0.000 0.452 209 L N 0.795 122.015 121.223 -0.006 0.000 2.083 209 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 209 L C 2.444 179.314 176.870 -0.001 0.000 1.083 209 L CA 0.906 55.743 54.840 -0.005 0.000 0.752 209 L CB -0.264 41.791 42.059 -0.007 0.000 0.899 209 L HN 0.149 nan 8.230 nan 0.000 0.433 210 E N -0.135 120.065 120.200 0.000 0.000 2.076 210 E HA -0.086 4.263 4.350 -0.000 0.000 0.190 210 E C 1.945 178.549 176.600 0.006 0.000 0.979 210 E CA 0.879 57.281 56.400 0.003 0.000 0.807 210 E CB 0.278 29.981 29.700 0.005 0.000 0.761 210 E HN 0.407 nan 8.360 nan 0.000 0.454 211 K N -0.775 119.629 120.400 0.007 0.000 2.313 211 K HA 0.296 4.616 4.320 -0.000 0.000 0.215 211 K C 1.094 177.699 176.600 0.009 0.000 1.109 211 K CA 0.929 57.222 56.287 0.010 0.000 0.895 211 K CB 0.969 33.478 32.500 0.015 0.000 1.234 211 K HN 0.139 nan 8.250 nan 0.000 0.463 212 G N 0.547 109.352 108.800 0.008 0.000 2.361 212 G HA2 0.017 3.977 3.960 -0.000 0.000 0.305 212 G HA3 0.017 3.977 3.960 -0.000 0.000 0.305 212 G C -0.756 174.149 174.900 0.008 0.000 1.367 212 G CA -0.778 44.326 45.100 0.007 0.000 0.951 212 G HN -0.003 nan 8.290 nan 0.000 0.615 225 R N 0.366 120.762 120.500 -0.173 0.000 2.075 225 R HA 0.046 4.386 4.340 -0.000 0.000 0.232 225 R C 0.298 176.276 176.300 -0.538 0.000 1.126 225 R CA 1.445 57.333 56.100 -0.355 0.000 0.963 225 R CB 0.179 30.255 30.300 -0.373 0.000 0.858 225 R HN 0.254 nan 8.270 nan 0.000 0.435 226 H N -1.774 117.255 119.070 -0.068 0.000 2.928 226 H HA 0.220 4.776 4.556 -0.000 0.000 0.371 226 H C -0.765 174.518 175.328 -0.076 0.000 1.186 226 H CA -0.838 55.174 56.048 -0.061 0.000 1.134 226 H CB 0.955 30.713 29.762 -0.006 0.000 1.824 226 H HN 0.123 nan 8.280 nan 0.000 0.554 227 H N 0.882 120.038 119.070 0.144 0.000 2.897 227 H HA -0.034 4.522 4.556 -0.000 0.000 0.347 227 H C 1.118 176.493 175.328 0.077 0.000 1.068 227 H CA 0.900 56.998 56.048 0.083 0.000 1.426 227 H CB 1.095 30.897 29.762 0.067 0.000 1.410 227 H HN 0.683 nan 8.280 nan 0.000 0.597 228 S N 1.950 117.766 115.700 0.194 0.000 2.419 228 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 228 S C 2.111 176.772 174.600 0.101 0.000 1.016 228 S CA 1.003 59.274 58.200 0.119 0.000 0.974 228 S CB -0.496 62.757 63.200 0.088 0.000 0.786 228 S HN 0.447 nan 8.310 nan 0.000 0.492 229 V N 1.503 121.481 119.914 0.107 0.000 2.343 229 V HA -0.086 4.034 4.120 -0.000 0.000 0.247 229 V C 2.242 178.372 176.094 0.061 0.000 1.051 229 V CA 1.785 64.124 62.300 0.066 0.000 1.036 229 V CB -0.510 31.334 31.823 0.035 0.000 0.654 229 V HN 0.510 nan 8.190 nan 0.000 0.451 230 L N -0.091 121.180 121.223 0.080 0.000 2.012 230 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 230 L C 2.366 179.243 176.870 0.012 0.000 1.073 230 L CA 2.429 57.290 54.840 0.035 0.000 0.748 230 L CB -0.755 41.321 42.059 0.028 0.000 0.891 230 L HN 0.241 nan 8.230 nan 0.000 0.431 231 M N -0.869 118.754 119.600 0.039 0.000 2.086 231 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 231 M C 2.378 178.699 176.300 0.036 0.000 1.067 231 M CA 1.799 57.118 55.300 0.032 0.000 1.116 231 M CB -1.602 31.035 32.600 0.061 0.000 1.348 231 M HN 0.312 nan 8.290 nan 0.000 0.407 232 S N 1.062 116.790 115.700 0.045 0.000 2.370 232 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 232 S C 1.909 176.542 174.600 0.054 0.000 1.033 232 S CA 1.141 59.368 58.200 0.044 0.000 1.011 232 S CB -0.543 62.682 63.200 0.041 0.000 0.852 232 S HN 0.338 nan 8.310 nan 0.000 0.457 233 L N 1.587 122.845 121.223 0.059 0.000 2.056 233 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 233 L C 1.970 178.920 176.870 0.134 0.000 1.078 233 L CA 1.476 56.371 54.840 0.093 0.000 0.749 233 L CB -0.636 41.459 42.059 0.059 0.000 0.901 233 L HN 0.273 nan 8.230 nan 0.000 0.433 234 L N -1.961 119.296 121.223 0.057 0.000 2.056 234 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 234 L C 2.604 179.523 176.870 0.082 0.000 1.078 234 L CA 1.166 56.031 54.840 0.041 0.000 0.749 234 L CB -0.758 41.290 42.059 -0.017 0.000 0.901 234 L HN 0.326 nan 8.230 nan 0.000 0.433 235 C N -0.123 119.213 119.300 0.060 0.000 2.429 235 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 235 C C 3.147 178.171 174.990 0.056 0.000 1.262 235 C CA 0.757 59.805 59.018 0.051 0.000 1.733 235 C CB -0.965 26.797 27.740 0.036 0.000 2.010 235 C HN 0.615 nan 8.230 nan 0.000 0.483 236 A N -0.472 122.387 122.820 0.064 0.000 1.978 236 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 236 A C 1.722 179.303 177.584 -0.006 0.000 1.170 236 A CA 1.957 54.010 52.037 0.026 0.000 0.636 236 A CB -0.823 18.188 19.000 0.019 0.000 0.810 236 A HN 0.747 nan 8.150 nan 0.000 0.448 237 H N -0.574 118.497 119.070 0.002 0.000 2.395 237 H HA 0.120 4.676 4.556 -0.000 0.000 0.299 237 H C 1.443 176.777 175.328 0.009 0.000 1.070 237 H CA 1.655 57.706 56.048 0.006 0.000 1.356 237 H CB -0.042 29.726 29.762 0.010 0.000 1.401 237 H HN 0.413 nan 8.280 nan 0.000 0.524 238 L N -1.008 120.286 121.223 0.118 0.000 2.628 238 L HA 0.271 4.611 4.340 -0.000 0.000 0.229 238 L C 1.193 178.083 176.870 0.034 0.000 1.137 238 L CA 0.269 55.149 54.840 0.066 0.000 0.909 238 L CB 0.132 42.222 42.059 0.052 0.000 1.137 238 L HN 0.337 nan 8.230 nan 0.000 0.470 239 G N 1.254 110.067 108.800 0.023 0.000 2.356 239 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 239 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 239 G C -0.096 174.811 174.900 0.012 0.000 1.022 239 G CA 0.518 45.623 45.100 0.010 0.000 0.961 239 G HN 0.299 nan 8.290 nan 0.000 0.510 240 L N -1.165 120.069 121.223 0.017 0.000 2.230 240 L HA 0.769 5.109 4.340 -0.000 0.000 0.255 240 L C 0.432 177.312 176.870 0.016 0.000 1.039 240 L CA -1.090 53.760 54.840 0.015 0.000 0.846 240 L CB 2.056 44.125 42.059 0.016 0.000 1.419 240 L HN 0.123 nan 8.230 nan 0.000 0.435 241 S N -0.261 115.447 115.700 0.015 0.000 2.593 241 S HA 0.376 4.846 4.470 -0.000 0.000 0.297 241 S C -2.016 172.595 174.600 0.019 0.000 1.112 241 S CA -1.095 57.115 58.200 0.016 0.000 1.043 241 S CB 1.997 65.205 63.200 0.013 0.000 1.054 241 S HN 0.375 nan 8.310 nan 0.000 0.516 242 P HA -0.096 nan 4.420 nan 0.000 0.218 242 P C 1.194 178.509 177.300 0.024 0.000 1.148 242 P CA 0.897 64.014 63.100 0.028 0.000 0.822 242 P CB -0.032 31.688 31.700 0.033 0.000 0.784 243 K N -0.503 119.909 120.400 0.019 0.000 2.218 243 K HA -0.139 4.180 4.320 -0.000 0.000 0.205 243 K C 1.423 178.031 176.600 0.013 0.000 1.046 243 K CA 1.602 57.898 56.287 0.015 0.000 0.933 243 K CB -1.642 30.864 32.500 0.011 0.000 0.728 243 K HN 0.403 nan 8.250 nan 0.000 0.454 244 D N -0.341 120.066 120.400 0.012 0.000 2.349 244 D HA 0.143 4.783 4.640 -0.000 0.000 0.215 244 D C 0.457 176.762 176.300 0.008 0.000 1.016 244 D CA 0.284 54.290 54.000 0.009 0.000 0.870 244 D CB -0.047 40.758 40.800 0.008 0.000 0.917 244 D HN 0.342 nan 8.370 nan 0.000 0.524 245 I N 1.357 121.935 120.570 0.013 0.000 2.337 245 I HA 0.004 4.174 4.170 -0.000 0.000 0.291 245 I C 1.364 177.490 176.117 0.016 0.000 1.046 245 I CA -0.403 60.904 61.300 0.012 0.000 1.324 245 I CB 2.004 40.014 38.000 0.017 0.000 1.409 245 I HN -0.282 nan 8.210 nan 0.000 0.494 246 V N 4.737 124.656 119.914 0.008 0.000 2.492 246 V HA 0.077 4.197 4.120 -0.000 0.000 0.241 246 V C 0.484 176.587 176.094 0.015 0.000 1.041 246 V CA 1.221 63.526 62.300 0.009 0.000 1.057 246 V CB -0.127 31.696 31.823 0.001 0.000 0.711 246 V HN 0.757 nan 8.190 nan 0.000 0.468 247 E N -0.756 119.449 120.200 0.008 0.000 2.407 247 E HA 0.615 4.965 4.350 -0.000 0.000 0.279 247 E C -1.116 175.480 176.600 -0.007 0.000 1.012 247 E CA -0.593 55.816 56.400 0.015 0.000 0.800 247 E CB 1.717 31.423 29.700 0.010 0.000 1.276 247 E HN 0.273 nan 8.360 nan 0.000 0.452 248 M N -0.116 119.485 119.600 0.001 0.000 2.569 248 M HA 0.672 5.152 4.480 -0.000 0.000 0.279 248 M C -1.240 175.049 176.300 -0.018 0.000 1.253 248 M CA -0.716 54.563 55.300 -0.035 0.000 0.867 248 M CB 2.532 35.105 32.600 -0.045 0.000 1.727 248 M HN 0.293 nan 8.290 nan 0.000 0.467 249 E N 2.222 122.397 120.200 -0.041 0.000 2.244 249 E HA 0.670 5.020 4.350 -0.000 0.000 0.260 249 E C -1.791 174.849 176.600 0.067 0.000 0.884 249 E CA -0.498 55.924 56.400 0.037 0.000 0.777 249 E CB 2.703 32.475 29.700 0.119 0.000 1.197 249 E HN 0.598 nan 8.360 nan 0.000 0.416 250 L N 2.994 124.250 121.223 0.055 0.000 2.381 250 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 250 L C -0.709 176.185 176.870 0.040 0.000 0.988 250 L CA -0.987 53.884 54.840 0.051 0.000 0.824 250 L CB 1.708 43.765 42.059 -0.004 0.000 1.263 250 L HN 0.563 nan 8.230 nan 0.000 0.410 251 C N 3.266 122.600 119.300 0.057 0.000 2.401 251 C HA 0.508 4.968 4.460 -0.000 0.000 0.365 251 C C 0.412 175.438 174.990 0.059 0.000 1.250 251 C CA -0.780 58.255 59.018 0.029 0.000 2.131 251 C CB 0.746 28.502 27.740 0.027 0.000 2.445 251 C HN 0.461 nan 8.230 nan 0.000 0.550 252 L N 3.030 124.299 121.223 0.077 0.000 2.397 252 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 252 L C 0.590 177.653 176.870 0.321 0.000 1.148 252 L CA 0.873 55.821 54.840 0.179 0.000 0.825 252 L CB 0.319 42.495 42.059 0.195 0.000 1.117 252 L HN 0.898 nan 8.230 nan 0.000 0.456 253 A N 1.653 124.621 122.820 0.247 0.000 2.539 253 A HA 0.527 4.847 4.320 -0.000 0.000 0.296 253 A C -1.143 176.484 177.584 0.070 0.000 1.073 253 A CA -0.694 51.446 52.037 0.173 0.000 0.700 253 A CB 1.145 20.186 19.000 0.069 0.000 1.296 253 A HN 0.554 nan 8.150 nan 0.000 0.405 254 D N 0.826 121.195 120.400 -0.050 0.000 2.399 254 D HA 0.228 4.868 4.640 -0.000 0.000 0.241 254 D C 1.572 177.869 176.300 -0.005 0.000 1.133 254 D CA 1.008 54.960 54.000 -0.081 0.000 0.890 254 D CB 1.185 41.891 40.800 -0.156 0.000 1.201 254 D HN 0.582 nan 8.370 nan 0.000 0.432 255 T N 0.164 114.719 114.554 0.001 0.000 3.081 255 T HA -0.018 4.332 4.350 -0.000 0.000 0.255 255 T C 0.971 175.678 174.700 0.011 0.000 1.113 255 T CA 0.005 62.116 62.100 0.018 0.000 1.082 255 T CB 0.027 68.900 68.868 0.009 0.000 0.939 255 T HN 0.418 nan 8.240 nan 0.000 0.506 256 Q N 2.706 122.506 119.800 -0.001 0.000 2.293 256 Q HA 0.268 4.608 4.340 -0.000 0.000 0.263 256 Q C -2.587 173.424 176.000 0.019 0.000 1.002 256 Q CA -2.143 53.665 55.803 0.008 0.000 0.910 256 Q CB 0.630 29.369 28.738 0.002 0.000 1.185 256 Q HN 0.193 nan 8.270 nan 0.000 0.401 257 P HA 0.048 nan 4.420 nan 0.000 0.271 257 P C -1.287 176.039 177.300 0.043 0.000 1.216 257 P CA -0.120 62.999 63.100 0.030 0.000 0.776 257 P CB 0.776 32.492 31.700 0.027 0.000 0.881 258 A N 2.647 125.492 122.820 0.041 0.000 2.546 258 A HA 0.404 4.724 4.320 -0.000 0.000 0.243 258 A C 0.341 177.954 177.584 0.047 0.000 1.063 258 A CA 0.295 52.366 52.037 0.057 0.000 0.757 258 A CB -0.656 18.369 19.000 0.042 0.000 0.991 258 A HN 0.461 nan 8.150 nan 0.000 0.503 259 V N 0.974 120.929 119.914 0.067 0.000 3.130 259 V HA 0.694 4.814 4.120 -0.000 0.000 0.310 259 V C -0.216 175.848 176.094 -0.049 0.000 1.158 259 V CA -1.211 61.103 62.300 0.023 0.000 1.029 259 V CB 1.435 33.289 31.823 0.053 0.000 1.057 259 V HN 0.747 nan 8.190 nan 0.000 0.436 260 L N 1.637 122.801 121.223 -0.099 0.000 2.395 260 L HA 0.850 5.190 4.340 -0.000 0.000 0.269 260 L C 0.840 177.520 176.870 -0.318 0.000 1.133 260 L CA 0.583 55.302 54.840 -0.202 0.000 0.812 260 L CB 1.089 43.070 42.059 -0.131 0.000 1.125 260 L HN 1.110 nan 8.230 nan 0.000 0.452 261 G N -0.085 108.364 108.800 -0.586 0.000 2.782 261 G HA2 0.682 4.642 3.960 -0.000 0.000 0.304 261 G HA3 0.682 4.642 3.960 -0.000 0.000 0.304 261 G C -0.628 174.132 174.900 -0.233 0.000 1.315 261 G CA -0.242 44.558 45.100 -0.500 0.000 0.791 261 G HN 0.973 nan 8.290 nan 0.000 0.519 262 G N -2.191 106.666 108.800 0.094 0.000 2.699 262 G HA2 0.371 4.331 3.960 -0.000 0.000 0.686 262 G HA3 0.371 4.331 3.960 -0.000 0.000 0.686 262 G C 1.100 175.981 174.900 -0.032 0.000 1.301 262 G CA 0.646 45.851 45.100 0.174 0.000 0.816 262 G HN 2.055 nan 8.290 nan 0.000 0.595 263 A N -0.020 122.731 122.820 -0.115 0.000 1.903 263 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 263 A C 1.758 179.119 177.584 -0.372 0.000 1.191 263 A CA 2.822 54.667 52.037 -0.320 0.000 0.638 263 A CB -0.438 18.208 19.000 -0.590 0.000 0.823 263 A HN 1.345 nan 8.150 nan 0.000 0.451 264 Y N -0.453 119.786 120.300 -0.101 0.000 2.571 264 Y HA 0.249 4.799 4.550 -0.000 0.000 0.275 264 Y C -0.012 175.794 175.900 -0.157 0.000 1.179 264 Y CA -0.815 57.209 58.100 -0.125 0.000 1.242 264 Y CB -0.182 38.190 38.460 -0.147 0.000 1.126 264 Y HN 0.310 nan 8.280 nan 0.000 0.524 265 D N 1.275 121.634 120.400 -0.070 0.000 2.686 265 D HA -0.248 4.392 4.640 -0.000 0.000 0.235 265 D C 0.863 177.074 176.300 -0.148 0.000 1.160 265 D CA 1.314 55.243 54.000 -0.118 0.000 0.645 265 D CB -0.957 39.802 40.800 -0.068 0.000 1.039 265 D HN 0.791 nan 8.370 nan 0.000 0.423 266 E N -1.172 118.864 120.200 -0.273 0.000 2.476 266 E HA 0.083 4.433 4.350 -0.000 0.000 0.199 266 E C 0.225 176.656 176.600 -0.282 0.000 1.021 266 E CA -0.039 56.206 56.400 -0.258 0.000 0.907 266 E CB 0.283 29.806 29.700 -0.295 0.000 0.974 266 E HN 0.137 nan 8.360 nan 0.000 0.489 267 F N 1.047 120.983 119.950 -0.023 0.000 2.523 267 F HA 0.508 5.035 4.527 -0.000 0.000 0.329 267 F C 0.153 175.797 175.800 -0.260 0.000 1.061 267 F CA -1.627 56.324 58.000 -0.081 0.000 0.967 267 F CB 1.104 40.115 39.000 0.019 0.000 1.218 267 F HN -0.152 nan 8.300 nan 0.000 0.480 268 I N 2.927 123.552 120.570 0.092 0.000 2.339 268 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 268 I C -1.245 175.021 176.117 0.249 0.000 0.994 268 I CA -0.511 60.812 61.300 0.038 0.000 1.191 268 I CB 0.835 38.867 38.000 0.055 0.000 1.343 268 I HN 0.242 nan 8.210 nan 0.000 0.458 269 F N 5.665 125.676 119.950 0.101 0.000 2.361 269 F HA 0.744 5.271 4.527 -0.000 0.000 0.364 269 F C 0.416 176.242 175.800 0.044 0.000 1.117 269 F CA -1.339 56.704 58.000 0.071 0.000 1.071 269 F CB 1.133 40.175 39.000 0.069 0.000 1.188 269 F HN 0.431 nan 8.300 nan 0.000 0.464 270 A N 5.393 128.339 122.820 0.210 0.000 2.566 270 A HA 0.767 5.087 4.320 -0.000 0.000 0.297 270 A C -3.029 174.607 177.584 0.086 0.000 1.059 270 A CA -1.485 50.626 52.037 0.122 0.000 0.691 270 A CB 2.110 21.174 19.000 0.106 0.000 1.282 270 A HN 0.293 nan 8.150 nan 0.000 0.401 271 P HA 0.288 nan 4.420 nan 0.000 0.272 271 P C -0.250 177.101 177.300 0.084 0.000 1.240 271 P CA 0.161 63.289 63.100 0.047 0.000 0.791 271 P CB 0.404 32.111 31.700 0.012 0.000 0.978 272 R N -0.628 119.938 120.500 0.110 0.000 3.770 272 R HA -0.168 4.172 4.340 -0.000 0.000 0.305 272 R C 1.341 177.722 176.300 0.136 0.000 1.184 272 R CA 0.198 56.376 56.100 0.130 0.000 0.823 272 R CB -2.572 27.793 30.300 0.108 0.000 1.285 272 R HN 0.452 nan 8.270 nan 0.000 0.499 273 L N 0.093 121.397 121.223 0.134 0.000 2.046 273 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 273 L C 1.241 178.184 176.870 0.122 0.000 1.077 273 L CA 1.445 56.371 54.840 0.142 0.000 0.747 273 L CB -0.250 41.880 42.059 0.118 0.000 0.896 273 L HN 0.165 nan 8.230 nan 0.000 0.432 274 D N 0.330 120.804 120.400 0.124 0.000 2.374 274 D HA 0.005 4.645 4.640 -0.000 0.000 0.240 274 D C -0.076 176.305 176.300 0.135 0.000 1.229 274 D CA 0.186 54.267 54.000 0.135 0.000 0.895 274 D CB 0.244 41.179 40.800 0.225 0.000 1.046 274 D HN -0.049 nan 8.370 nan 0.000 0.498 275 N N 3.664 122.340 118.700 -0.041 0.000 2.466 275 N HA 0.115 4.855 4.740 -0.000 0.000 0.272 275 N C 0.905 176.405 175.510 -0.016 0.000 1.455 275 N CA -0.179 52.779 53.050 -0.153 0.000 0.875 275 N CB 0.088 38.155 38.487 -0.700 0.000 1.372 275 N HN 0.404 nan 8.380 nan 0.000 0.492 276 L N -0.315 120.979 121.223 0.118 0.000 2.275 276 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 276 L C 2.247 179.267 176.870 0.250 0.000 1.119 276 L CA 0.741 55.746 54.840 0.276 0.000 0.790 276 L CB -0.469 41.803 42.059 0.355 0.000 0.919 276 L HN 0.459 nan 8.230 nan 0.000 0.443 277 H N 0.527 119.653 119.070 0.094 0.000 2.267 277 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 277 H C 2.267 177.633 175.328 0.063 0.000 1.080 277 H CA 2.109 58.197 56.048 0.067 0.000 1.278 277 H CB 0.207 29.986 29.762 0.029 0.000 1.365 277 H HN 0.194 nan 8.280 nan 0.000 0.489 278 S N -0.255 115.631 115.700 0.310 0.000 2.382 278 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 278 S C 2.693 177.376 174.600 0.137 0.000 1.027 278 S CA 1.119 59.467 58.200 0.247 0.000 0.991 278 S CB -0.540 62.769 63.200 0.182 0.000 0.823 278 S HN 0.505 nan 8.310 nan 0.000 0.469 279 C N 0.882 120.234 119.300 0.086 0.000 2.432 279 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 279 C C 2.305 177.211 174.990 -0.140 0.000 1.249 279 C CA 0.549 59.597 59.018 0.050 0.000 1.725 279 C CB -1.456 26.404 27.740 0.199 0.000 2.028 279 C HN 0.691 nan 8.230 nan 0.000 0.477 280 F N 1.179 120.817 119.950 -0.519 0.000 2.102 280 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 280 F C 2.357 177.930 175.800 -0.379 0.000 1.105 280 F CA 1.684 59.147 58.000 -0.895 0.000 1.239 280 F CB -0.776 37.525 39.000 -1.166 0.000 0.991 280 F HN 0.230 nan 8.300 nan 0.000 0.474 281 C N 0.786 119.832 119.300 -0.423 0.000 2.453 281 C HA -0.017 4.443 4.460 -0.000 0.000 0.277 281 C C 3.185 178.194 174.990 0.032 0.000 1.262 281 C CA 1.054 59.879 59.018 -0.321 0.000 1.718 281 C CB -1.777 25.861 27.740 -0.171 0.000 2.031 281 C HN 0.669 nan 8.230 nan 0.000 0.480 282 A N 0.193 123.136 122.820 0.205 0.000 1.865 282 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 282 A C 2.072 179.709 177.584 0.088 0.000 1.191 282 A CA 1.967 54.112 52.037 0.181 0.000 0.623 282 A CB -0.765 18.263 19.000 0.047 0.000 0.826 282 A HN 0.507 nan 8.150 nan 0.000 0.444 283 L N -1.059 120.110 121.223 -0.090 0.000 2.027 283 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 283 L C 2.629 179.374 176.870 -0.208 0.000 1.074 283 L CA 2.443 57.191 54.840 -0.154 0.000 0.745 283 L CB -0.452 41.495 42.059 -0.186 0.000 0.898 283 L HN 0.490 nan 8.230 nan 0.000 0.433 284 Q N -0.562 119.011 119.800 -0.379 0.000 2.119 284 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 284 Q C 2.128 178.043 176.000 -0.142 0.000 0.972 284 Q CA 1.785 57.373 55.803 -0.357 0.000 0.847 284 Q CB -0.342 27.965 28.738 -0.719 0.000 0.903 284 Q HN 0.562 nan 8.270 nan 0.000 0.433 285 A N 0.189 122.993 122.820 -0.027 0.000 1.908 285 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 285 A C 1.993 179.720 177.584 0.238 0.000 1.181 285 A CA 1.560 53.713 52.037 0.192 0.000 0.627 285 A CB -0.901 18.348 19.000 0.415 0.000 0.818 285 A HN 0.482 nan 8.150 nan 0.000 0.445 286 L N -0.065 121.254 121.223 0.160 0.000 1.994 286 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 286 L C 2.264 179.105 176.870 -0.050 0.000 1.071 286 L CA 1.894 56.635 54.840 -0.164 0.000 0.745 286 L CB -0.486 41.440 42.059 -0.221 0.000 0.892 286 L HN 0.434 nan 8.230 nan 0.000 0.431 287 I N -0.144 120.410 120.570 -0.025 0.000 2.127 287 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 287 I C 2.124 178.268 176.117 0.045 0.000 1.075 287 I CA 1.633 62.958 61.300 0.042 0.000 1.334 287 I CB -0.625 37.353 38.000 -0.038 0.000 1.040 287 I HN 0.318 nan 8.210 nan 0.000 0.405 288 D N 0.425 120.838 120.400 0.022 0.000 2.149 288 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 288 D C 2.330 178.656 176.300 0.044 0.000 0.990 288 D CA 1.885 55.904 54.000 0.031 0.000 0.839 288 D CB -0.325 40.494 40.800 0.031 0.000 0.948 288 D HN 0.386 nan 8.370 nan 0.000 0.460 289 S N -0.582 115.154 115.700 0.060 0.000 2.474 289 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 289 S C 1.773 176.379 174.600 0.010 0.000 0.997 289 S CA 0.567 58.802 58.200 0.058 0.000 0.949 289 S CB -0.328 62.931 63.200 0.100 0.000 0.766 289 S HN 0.267 nan 8.310 nan 0.000 0.517 290 C N 1.029 120.327 119.300 -0.002 0.000 3.000 290 C HA 0.736 5.196 4.460 -0.000 0.000 0.286 290 C C 2.561 177.537 174.990 -0.022 0.000 1.343 290 C CA -0.582 58.417 59.018 -0.032 0.000 1.742 290 C CB -1.138 26.562 27.740 -0.067 0.000 2.200 290 C HN 0.725 nan 8.230 nan 0.000 0.621 291 A N 1.533 124.354 122.820 0.002 0.000 1.841 291 A HA 0.330 4.650 4.320 -0.000 0.000 0.214 291 A C 1.585 179.163 177.584 -0.009 0.000 1.195 291 A CA 1.545 53.585 52.037 0.004 0.000 0.611 291 A CB -1.153 17.855 19.000 0.014 0.000 0.835 291 A HN 0.559 nan 8.150 nan 0.000 0.443 292 G N -0.209 108.587 108.800 -0.007 0.000 2.614 292 G HA2 0.413 4.373 3.960 -0.000 0.000 0.239 292 G HA3 0.413 4.373 3.960 -0.000 0.000 0.239 292 G C -2.708 172.180 174.900 -0.019 0.000 1.240 292 G CA -0.664 44.430 45.100 -0.010 0.000 0.842 292 G HN 0.213 nan 8.290 nan 0.000 0.584 293 P HA 0.216 nan 4.420 nan 0.000 0.268 293 P C 0.882 178.169 177.300 -0.022 0.000 1.204 293 P CA 1.382 64.468 63.100 -0.023 0.000 0.768 293 P CB 1.058 32.747 31.700 -0.019 0.000 0.842 294 G N 2.627 111.411 108.800 -0.027 0.000 2.179 294 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 294 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 294 G C 1.016 175.903 174.900 -0.022 0.000 1.010 294 G CA 0.635 45.721 45.100 -0.023 0.000 0.736 294 G HN 0.572 nan 8.290 nan 0.000 0.513 295 S N -1.165 114.520 115.700 -0.026 0.000 2.489 295 S HA 0.252 4.722 4.470 -0.000 0.000 0.228 295 S C 1.884 176.469 174.600 -0.024 0.000 0.995 295 S CA 1.024 59.212 58.200 -0.021 0.000 0.934 295 S CB 0.076 63.264 63.200 -0.020 0.000 0.771 295 S HN 0.463 nan 8.310 nan 0.000 0.522 296 L N 0.365 121.568 121.223 -0.034 0.000 2.693 296 L HA 0.404 4.744 4.340 -0.000 0.000 0.235 296 L C 2.579 179.442 176.870 -0.012 0.000 1.127 296 L CA 0.431 55.254 54.840 -0.028 0.000 0.914 296 L CB -0.290 41.738 42.059 -0.051 0.000 1.193 296 L HN 0.380 nan 8.230 nan 0.000 0.502 297 A N 0.662 123.475 122.820 -0.013 0.000 1.917 297 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 297 A C 2.274 179.859 177.584 0.002 0.000 1.182 297 A CA 2.584 54.618 52.037 -0.005 0.000 0.633 297 A CB -0.705 18.290 19.000 -0.009 0.000 0.819 297 A HN 0.464 nan 8.150 nan 0.000 0.448 298 T N -2.643 111.909 114.554 -0.003 0.000 3.044 298 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 298 T C 0.573 175.272 174.700 -0.003 0.000 1.081 298 T CA 0.482 62.579 62.100 -0.005 0.000 1.040 298 T CB -0.136 68.723 68.868 -0.015 0.000 0.962 298 T HN 0.372 nan 8.240 nan 0.000 0.506 299 E N 4.005 124.208 120.200 0.005 0.000 2.415 299 E HA 0.119 4.469 4.350 -0.000 0.000 0.260 299 E C -1.652 174.982 176.600 0.057 0.000 1.016 299 E CA -2.085 54.323 56.400 0.012 0.000 0.924 299 E CB 1.075 30.786 29.700 0.019 0.000 0.961 299 E HN 0.150 nan 8.360 nan 0.000 0.459 300 P HA 0.037 nan 4.420 nan 0.000 0.252 300 P C -0.345 177.152 177.300 0.329 0.000 1.211 300 P CA 0.440 63.627 63.100 0.146 0.000 0.824 300 P CB 0.343 32.096 31.700 0.089 0.000 1.077 301 H N -0.832 118.290 119.070 0.088 0.000 2.500 301 H HA 0.378 4.934 4.556 -0.000 0.000 0.351 301 H C -0.164 175.147 175.328 -0.029 0.000 1.281 301 H CA -1.264 54.821 56.048 0.061 0.000 1.368 301 H CB 1.552 31.363 29.762 0.082 0.000 1.616 301 H HN -0.294 nan 8.280 nan 0.000 0.591 302 V N 2.122 121.957 119.914 -0.132 0.000 2.439 302 V HA 0.180 4.300 4.120 -0.000 0.000 0.282 302 V C 0.159 176.337 176.094 0.141 0.000 1.039 302 V CA -0.396 61.816 62.300 -0.148 0.000 0.913 302 V CB 1.019 32.596 31.823 -0.410 0.000 0.983 302 V HN 0.611 nan 8.190 nan 0.000 0.460 303 R N 4.994 125.590 120.500 0.161 0.000 2.265 303 R HA 0.679 5.019 4.340 -0.000 0.000 0.319 303 R C -0.493 175.943 176.300 0.226 0.000 1.006 303 R CA -0.312 55.895 56.100 0.177 0.000 0.880 303 R CB 1.372 31.582 30.300 -0.150 0.000 1.077 303 R HN 0.673 nan 8.270 nan 0.000 0.454 304 M N 2.716 122.531 119.600 0.359 0.000 2.386 304 M HA 0.355 4.835 4.480 -0.000 0.000 0.293 304 M C -1.662 174.839 176.300 0.335 0.000 1.120 304 M CA -0.883 54.625 55.300 0.347 0.000 0.909 304 M CB 2.244 35.043 32.600 0.331 0.000 1.661 304 M HN 0.317 nan 8.290 nan 0.000 0.452 305 V N 3.088 123.143 119.914 0.236 0.000 2.417 305 V HA 0.586 4.706 4.120 -0.000 0.000 0.291 305 V C -0.229 175.907 176.094 0.070 0.000 1.024 305 V CA -0.486 61.911 62.300 0.162 0.000 0.861 305 V CB 1.792 33.679 31.823 0.107 0.000 0.985 305 V HN 0.891 nan 8.190 nan 0.000 0.436 306 T N 3.847 118.401 114.554 0.001 0.000 2.809 306 T HA 0.713 5.063 4.350 -0.000 0.000 0.296 306 T C -0.824 173.682 174.700 -0.323 0.000 1.015 306 T CA -0.529 61.445 62.100 -0.209 0.000 0.954 306 T CB 0.626 69.372 68.868 -0.203 0.000 0.950 306 T HN 0.333 nan 8.240 nan 0.000 0.450 307 L N 4.202 125.226 121.223 -0.331 0.000 2.318 307 L HA 0.487 4.827 4.340 -0.000 0.000 0.277 307 L C -1.010 175.752 176.870 -0.180 0.000 1.008 307 L CA -1.111 53.637 54.840 -0.154 0.000 0.846 307 L CB 0.660 42.706 42.059 -0.022 0.000 1.220 307 L HN 0.647 nan 8.230 nan 0.000 0.423 308 Y N 0.712 121.085 120.300 0.122 0.000 2.361 308 Y HA 0.305 4.855 4.550 -0.000 0.000 0.332 308 Y C 0.478 176.452 175.900 0.124 0.000 1.101 308 Y CA -0.554 57.612 58.100 0.111 0.000 1.137 308 Y CB 1.276 39.796 38.460 0.099 0.000 1.207 308 Y HN 0.481 nan 8.280 nan 0.000 0.463 309 D N 0.591 121.135 120.400 0.241 0.000 2.377 309 D HA 0.115 4.755 4.640 -0.000 0.000 0.245 309 D C -0.021 176.384 176.300 0.174 0.000 1.196 309 D CA 0.132 54.226 54.000 0.156 0.000 0.962 309 D CB 0.342 41.179 40.800 0.063 0.000 1.127 309 D HN 0.726 nan 8.370 nan 0.000 0.471 310 N N -0.363 118.444 118.700 0.178 0.000 2.753 310 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 310 N C 0.660 176.198 175.510 0.047 0.000 1.097 310 N CA 0.703 53.852 53.050 0.164 0.000 0.786 310 N CB -0.464 38.096 38.487 0.122 0.000 1.137 310 N HN 0.475 nan 8.380 nan 0.000 0.566 311 E N 1.343 121.541 120.200 -0.003 0.000 2.150 311 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 311 E C 1.059 177.532 176.600 -0.213 0.000 0.985 311 E CA 1.107 57.404 56.400 -0.171 0.000 0.814 311 E CB 0.143 29.581 29.700 -0.436 0.000 0.752 311 E HN 0.426 nan 8.360 nan 0.000 0.466 312 E N 0.200 120.289 120.200 -0.186 0.000 2.478 312 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 312 E C 1.584 178.030 176.600 -0.258 0.000 1.046 312 E CA 0.760 57.038 56.400 -0.202 0.000 0.870 312 E CB 0.437 30.036 29.700 -0.169 0.000 0.818 312 E HN 0.274 nan 8.360 nan 0.000 0.527 313 V N -4.638 115.134 119.914 -0.236 0.000 3.166 313 V HA 0.595 4.715 4.120 -0.000 0.000 0.332 313 V C 0.986 177.012 176.094 -0.113 0.000 1.434 313 V CA 0.198 62.367 62.300 -0.219 0.000 1.121 313 V CB 0.390 32.029 31.823 -0.306 0.000 1.062 313 V HN 0.137 nan 8.190 nan 0.000 0.489 314 G N -0.125 108.617 108.800 -0.096 0.000 2.179 314 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 314 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 314 G C 0.592 175.454 174.900 -0.063 0.000 0.990 314 G CA 0.150 45.206 45.100 -0.073 0.000 0.646 314 G HN 1.359 nan 8.290 nan 0.000 0.517 315 S N -1.098 114.570 115.700 -0.053 0.000 3.084 315 S HA -0.233 4.237 4.470 -0.000 0.000 0.277 315 S C 0.390 174.968 174.600 -0.037 0.000 1.295 315 S CA 1.762 59.933 58.200 -0.049 0.000 1.170 315 S CB -1.019 62.123 63.200 -0.095 0.000 1.412 315 S HN 1.060 nan 8.310 nan 0.000 0.669 316 E N 1.979 122.164 120.200 -0.024 0.000 1.979 316 E HA 0.367 4.717 4.350 -0.000 0.000 0.285 316 E C 0.052 176.655 176.600 0.006 0.000 1.188 316 E CA 0.224 56.614 56.400 -0.015 0.000 1.214 316 E CB 0.002 29.691 29.700 -0.018 0.000 1.210 316 E HN 0.565 nan 8.360 nan 0.000 0.477 317 S N 0.010 115.720 115.700 0.016 0.000 2.625 317 S HA 0.550 5.020 4.470 -0.000 0.000 0.271 317 S C 0.795 175.421 174.600 0.042 0.000 1.161 317 S CA -0.404 57.818 58.200 0.036 0.000 0.820 317 S CB 1.232 64.467 63.200 0.058 0.000 1.137 317 S HN 0.175 nan 8.310 nan 0.000 0.470 318 A N 0.742 123.593 122.820 0.051 0.000 1.978 318 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 318 A C 2.062 179.698 177.584 0.086 0.000 1.170 318 A CA 1.812 53.883 52.037 0.057 0.000 0.636 318 A CB -0.760 18.272 19.000 0.054 0.000 0.810 318 A HN 0.856 nan 8.150 nan 0.000 0.448 319 Q N -0.503 119.360 119.800 0.105 0.000 2.282 319 Q HA 0.205 4.545 4.340 -0.000 0.000 0.206 319 Q C 0.792 176.918 176.000 0.209 0.000 0.878 319 Q CA 0.649 56.541 55.803 0.149 0.000 0.944 319 Q CB -0.398 28.418 28.738 0.129 0.000 1.100 319 Q HN 0.377 nan 8.270 nan 0.000 0.509 320 G N 0.526 109.409 108.800 0.138 0.000 2.547 320 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 320 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 320 G C 0.560 175.412 174.900 -0.080 0.000 1.211 320 G CA -0.145 45.008 45.100 0.088 0.000 0.950 320 G HN 0.207 nan 8.290 nan 0.000 0.504 321 A N -1.022 121.592 122.820 -0.343 0.000 2.172 321 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 321 A C 2.014 179.391 177.584 -0.345 0.000 1.154 321 A CA 1.164 52.751 52.037 -0.750 0.000 0.701 321 A CB -0.212 18.342 19.000 -0.743 0.000 0.789 321 A HN 0.650 nan 8.150 nan 0.000 0.465 322 Q N -0.191 119.502 119.800 -0.178 0.000 2.444 322 Q HA 0.071 4.411 4.340 -0.000 0.000 0.206 322 Q C 0.676 176.638 176.000 -0.063 0.000 0.948 322 Q CA 0.077 55.818 55.803 -0.103 0.000 0.946 322 Q CB 0.062 28.759 28.738 -0.070 0.000 1.027 322 Q HN 0.520 nan 8.270 nan 0.000 0.513 323 S N 0.396 116.067 115.700 -0.048 0.000 2.585 323 S HA 0.049 4.519 4.470 -0.000 0.000 0.273 323 S C 0.902 175.502 174.600 0.001 0.000 1.339 323 S CA -0.485 57.714 58.200 -0.001 0.000 1.028 323 S CB 0.748 63.976 63.200 0.047 0.000 0.906 323 S HN 0.292 nan 8.310 nan 0.000 0.528 324 L N 5.160 126.382 121.223 -0.002 0.000 2.353 324 L HA 0.045 4.385 4.340 -0.000 0.000 0.220 324 L C 1.881 178.747 176.870 -0.008 0.000 1.133 324 L CA 1.270 56.101 54.840 -0.015 0.000 0.798 324 L CB -0.902 41.139 42.059 -0.028 0.000 0.922 324 L HN 0.834 nan 8.230 nan 0.000 0.445 325 L N -0.721 120.519 121.223 0.029 0.000 2.010 325 L HA -0.313 4.027 4.340 -0.000 0.000 0.219 325 L C 2.291 179.192 176.870 0.053 0.000 1.077 325 L CA 2.743 57.616 54.840 0.054 0.000 0.773 325 L CB -1.265 40.864 42.059 0.117 0.000 0.892 325 L HN 0.389 nan 8.230 nan 0.000 0.436 326 T N -0.942 113.666 114.554 0.089 0.000 2.674 326 T HA -0.245 4.104 4.350 -0.000 0.000 0.265 326 T C 1.720 176.410 174.700 -0.018 0.000 1.039 326 T CA 1.502 63.651 62.100 0.081 0.000 1.150 326 T CB -0.353 68.605 68.868 0.151 0.000 0.864 326 T HN 0.561 nan 8.240 nan 0.000 0.427 327 E N 0.885 121.063 120.200 -0.037 0.000 2.097 327 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 327 E C 2.142 178.576 176.600 -0.277 0.000 1.000 327 E CA 1.036 57.347 56.400 -0.149 0.000 0.804 327 E CB -0.311 29.312 29.700 -0.130 0.000 0.740 327 E HN 0.453 nan 8.360 nan 0.000 0.454 328 L N 0.178 121.294 121.223 -0.179 0.000 2.012 328 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 328 L C 2.579 179.339 176.870 -0.183 0.000 1.073 328 L CA 0.981 55.706 54.840 -0.193 0.000 0.748 328 L CB -0.482 41.498 42.059 -0.131 0.000 0.891 328 L HN 0.139 nan 8.230 nan 0.000 0.431 329 V N 0.054 119.911 119.914 -0.094 0.000 2.358 329 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 329 V C 2.383 178.428 176.094 -0.081 0.000 1.047 329 V CA 1.491 63.787 62.300 -0.006 0.000 1.035 329 V CB -0.331 31.535 31.823 0.070 0.000 0.658 329 V HN 0.348 nan 8.190 nan 0.000 0.452 330 L N -0.709 120.412 121.223 -0.169 0.000 2.141 330 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 330 L C 2.766 179.630 176.870 -0.011 0.000 1.094 330 L CA 1.439 56.165 54.840 -0.190 0.000 0.763 330 L CB -0.549 41.376 42.059 -0.223 0.000 0.908 330 L HN 0.251 nan 8.230 nan 0.000 0.437 331 R N -0.158 120.178 120.500 -0.273 0.000 2.073 331 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 331 R C 2.440 178.695 176.300 -0.074 0.000 1.120 331 R CA 0.973 56.903 56.100 -0.283 0.000 0.967 331 R CB -0.144 29.852 30.300 -0.507 0.000 0.862 331 R HN 0.303 nan 8.270 nan 0.000 0.436 332 R N 0.343 120.782 120.500 -0.102 0.000 2.096 332 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 332 R C 2.223 178.589 176.300 0.110 0.000 1.127 332 R CA 1.257 57.315 56.100 -0.070 0.000 0.968 332 R CB -0.239 29.890 30.300 -0.286 0.000 0.861 332 R HN 0.221 nan 8.270 nan 0.000 0.440 333 I N -0.067 120.606 120.570 0.171 0.000 2.286 333 I HA -0.201 3.968 4.170 -0.000 0.000 0.245 333 I C 1.858 178.168 176.117 0.322 0.000 1.104 333 I CA 1.151 62.587 61.300 0.228 0.000 1.397 333 I CB -0.066 38.018 38.000 0.141 0.000 1.072 333 I HN 0.044 nan 8.210 nan 0.000 0.417 334 S N 0.694 116.613 115.700 0.366 0.000 2.489 334 S HA 0.162 4.632 4.470 -0.000 0.000 0.228 334 S C 1.087 175.849 174.600 0.269 0.000 0.995 334 S CA 0.177 58.619 58.200 0.403 0.000 0.934 334 S CB -0.284 63.216 63.200 0.499 0.000 0.771 334 S HN 0.395 nan 8.310 nan 0.000 0.522 335 A N 1.639 124.572 122.820 0.189 0.000 2.520 335 A HA 0.484 4.804 4.320 -0.000 0.000 0.245 335 A C 0.343 178.001 177.584 0.124 0.000 1.072 335 A CA 0.127 52.240 52.037 0.126 0.000 0.761 335 A CB 0.175 19.213 19.000 0.063 0.000 1.004 335 A HN 0.183 nan 8.150 nan 0.000 0.499 336 S N 1.129 116.892 115.700 0.105 0.000 2.603 336 S HA 0.287 4.757 4.470 -0.000 0.000 0.274 336 S C 0.431 175.038 174.600 0.012 0.000 1.168 336 S CA -0.431 57.806 58.200 0.062 0.000 0.963 336 S CB 0.882 64.139 63.200 0.096 0.000 1.078 336 S HN 0.776 nan 8.310 nan 0.000 0.477 337 C N 3.491 122.779 119.300 -0.020 0.000 2.437 337 C HA 0.005 4.464 4.460 -0.000 0.000 0.283 337 C C 2.371 177.318 174.990 -0.072 0.000 1.424 337 C CA 0.664 59.664 59.018 -0.030 0.000 1.782 337 C CB -1.243 26.482 27.740 -0.024 0.000 1.833 337 C HN 0.887 nan 8.230 nan 0.000 0.532 338 Q N -0.987 118.714 119.800 -0.166 0.000 2.269 338 Q HA 0.000 4.340 4.340 -0.000 0.000 0.201 338 Q C 0.123 175.942 176.000 -0.302 0.000 0.946 338 Q CA 0.859 56.490 55.803 -0.287 0.000 0.877 338 Q CB 0.051 28.494 28.738 -0.492 0.000 0.963 338 Q HN 0.789 nan 8.270 nan 0.000 0.472 339 H N 0.694 119.773 119.070 0.016 0.000 2.539 339 H HA 0.138 4.694 4.556 -0.000 0.000 0.247 339 H C -1.770 173.580 175.328 0.036 0.000 1.363 339 H CA -2.086 53.974 56.048 0.019 0.000 1.371 339 H CB 0.812 30.581 29.762 0.011 0.000 1.438 339 H HN 0.091 nan 8.280 nan 0.000 0.523 340 P HA -0.129 nan 4.420 nan 0.000 0.222 340 P C 0.908 178.270 177.300 0.102 0.000 1.147 340 P CA 1.074 64.225 63.100 0.085 0.000 0.790 340 P CB 0.271 32.004 31.700 0.055 0.000 0.780 341 T N -4.394 110.227 114.554 0.111 0.000 3.275 341 T HA 0.628 4.978 4.350 -0.000 0.000 0.265 341 T C 1.403 176.174 174.700 0.119 0.000 0.978 341 T CA -0.007 62.158 62.100 0.109 0.000 0.923 341 T CB -0.085 68.828 68.868 0.075 0.000 1.126 341 T HN -0.048 nan 8.240 nan 0.000 0.538 342 A N 1.514 124.429 122.820 0.158 0.000 1.865 342 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 342 A C 1.717 179.405 177.584 0.172 0.000 1.191 342 A CA 1.381 53.507 52.037 0.148 0.000 0.623 342 A CB -0.983 18.135 19.000 0.197 0.000 0.826 342 A HN 0.615 nan 8.150 nan 0.000 0.444 343 F N 1.175 121.191 119.950 0.109 0.000 2.102 343 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 343 F C 2.047 177.903 175.800 0.092 0.000 1.105 343 F CA 2.329 60.402 58.000 0.122 0.000 1.239 343 F CB -0.520 38.528 39.000 0.080 0.000 0.991 343 F HN 0.304 nan 8.300 nan 0.000 0.474 344 E N 0.399 120.554 120.200 -0.075 0.000 2.118 344 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 344 E C 2.028 178.531 176.600 -0.162 0.000 0.992 344 E CA 1.880 58.178 56.400 -0.170 0.000 0.804 344 E CB -0.322 29.391 29.700 0.021 0.000 0.741 344 E HN 0.607 nan 8.360 nan 0.000 0.458 345 E N -0.143 120.009 120.200 -0.081 0.000 2.216 345 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 345 E C 1.950 178.513 176.600 -0.063 0.000 0.988 345 E CA 0.636 57.001 56.400 -0.058 0.000 0.834 345 E CB 0.003 29.683 29.700 -0.034 0.000 0.772 345 E HN 0.271 nan 8.360 nan 0.000 0.479 346 A N 1.404 124.187 122.820 -0.063 0.000 1.969 346 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 346 A C 2.092 179.674 177.584 -0.002 0.000 1.169 346 A CA 0.709 52.752 52.037 0.010 0.000 0.635 346 A CB -0.302 18.812 19.000 0.190 0.000 0.810 346 A HN 0.104 nan 8.150 nan 0.000 0.445 347 I N 0.678 121.151 120.570 -0.161 0.000 2.163 347 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 347 I C -0.489 175.613 176.117 -0.025 0.000 1.085 347 I CA 1.684 62.896 61.300 -0.147 0.000 1.347 347 I CB -2.074 35.747 38.000 -0.300 0.000 1.044 347 I HN 0.256 nan 8.210 nan 0.000 0.408 348 P HA -0.124 nan 4.420 nan 0.000 0.226 348 P C 1.098 178.455 177.300 0.095 0.000 1.153 348 P CA 1.237 64.358 63.100 0.034 0.000 0.777 348 P CB -0.150 31.560 31.700 0.016 0.000 0.794 349 K N -0.663 119.792 120.400 0.091 0.000 2.404 349 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 349 K C 0.734 177.477 176.600 0.238 0.000 1.023 349 K CA 0.064 56.437 56.287 0.142 0.000 1.094 349 K CB 0.207 32.741 32.500 0.057 0.000 0.841 349 K HN 0.057 nan 8.250 nan 0.000 0.523 350 S N 0.418 116.256 115.700 0.229 0.000 2.713 350 S HA 0.540 5.010 4.470 -0.000 0.000 0.283 350 S C -0.918 173.899 174.600 0.361 0.000 1.161 350 S CA -0.625 57.751 58.200 0.292 0.000 0.999 350 S CB 0.935 64.280 63.200 0.241 0.000 1.039 350 S HN 0.179 nan 8.310 nan 0.000 0.548 351 F N 1.437 121.445 119.950 0.097 0.000 2.604 351 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 351 F C -0.979 174.809 175.800 -0.019 0.000 1.136 351 F CA -0.644 57.325 58.000 -0.051 0.000 0.989 351 F CB 1.296 40.010 39.000 -0.477 0.000 1.258 351 F HN 0.513 nan 8.300 nan 0.000 0.451 352 M N 7.702 127.147 119.600 -0.258 0.000 2.294 352 M HA 0.572 5.052 4.480 -0.000 0.000 0.335 352 M C -1.631 174.462 176.300 -0.346 0.000 1.079 352 M CA -0.540 54.660 55.300 -0.167 0.000 0.982 352 M CB 1.314 33.841 32.600 -0.121 0.000 1.651 352 M HN 0.592 nan 8.290 nan 0.000 0.437 353 I N 3.423 123.757 120.570 -0.395 0.000 2.337 353 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 353 I C 0.182 176.126 176.117 -0.289 0.000 1.046 353 I CA -0.183 60.865 61.300 -0.420 0.000 1.324 353 I CB 1.451 39.025 38.000 -0.709 0.000 1.409 353 I HN 0.656 nan 8.210 nan 0.000 0.494 354 S N 6.396 121.991 115.700 -0.175 0.000 2.400 354 S HA 0.543 5.013 4.470 -0.000 0.000 0.295 354 S C 0.028 174.601 174.600 -0.045 0.000 1.113 354 S CA -0.711 57.444 58.200 -0.075 0.000 1.064 354 S CB 0.185 63.363 63.200 -0.037 0.000 0.990 354 S HN 0.644 nan 8.310 nan 0.000 0.502 355 A N 4.603 127.415 122.820 -0.013 0.000 2.252 355 A HA 0.646 4.966 4.320 -0.000 0.000 0.309 355 A C -0.343 177.297 177.584 0.093 0.000 1.285 355 A CA -0.513 51.571 52.037 0.078 0.000 0.900 355 A CB 0.477 19.585 19.000 0.179 0.000 1.157 355 A HN 0.791 nan 8.150 nan 0.000 0.536 356 D N 2.071 122.506 120.400 0.059 0.000 2.736 356 D HA 0.369 5.009 4.640 -0.000 0.000 0.223 356 D C -0.345 175.940 176.300 -0.024 0.000 1.231 356 D CA -0.490 53.548 54.000 0.063 0.000 0.818 356 D CB 1.225 42.102 40.800 0.128 0.000 1.587 356 D HN 0.326 nan 8.370 nan 0.000 0.463 357 M N 1.145 120.719 119.600 -0.043 0.000 2.232 357 M HA 0.494 4.974 4.480 -0.000 0.000 0.321 357 M C 0.295 176.476 176.300 -0.198 0.000 1.101 357 M CA -0.232 54.986 55.300 -0.137 0.000 1.181 357 M CB 0.322 32.844 32.600 -0.130 0.000 1.432 357 M HN 0.493 nan 8.290 nan 0.000 0.457 358 A N 1.541 124.234 122.820 -0.212 0.000 2.356 358 A HA 0.573 4.893 4.320 -0.000 0.000 0.323 358 A C -0.672 176.796 177.584 -0.193 0.000 1.119 358 A CA -0.756 51.145 52.037 -0.226 0.000 0.790 358 A CB 0.658 19.588 19.000 -0.116 0.000 1.273 358 A HN 0.802 nan 8.150 nan 0.000 0.452 359 H N 1.519 120.644 119.070 0.091 0.000 3.015 359 H HA 0.360 4.916 4.556 -0.000 0.000 0.268 359 H C 0.882 176.362 175.328 0.253 0.000 1.113 359 H CA 0.590 56.743 56.048 0.174 0.000 1.479 359 H CB 0.326 30.200 29.762 0.186 0.000 1.493 359 H HN 0.788 nan 8.280 nan 0.000 0.486 360 A N 3.685 126.655 122.820 0.250 0.000 2.466 360 A HA 0.096 4.416 4.320 -0.000 0.000 0.238 360 A C 0.678 178.204 177.584 -0.096 0.000 1.074 360 A CA -0.360 51.752 52.037 0.126 0.000 0.774 360 A CB 0.383 19.519 19.000 0.227 0.000 1.015 360 A HN 0.568 nan 8.150 nan 0.000 0.498 361 V N 3.487 123.178 119.914 -0.371 0.000 2.655 361 V HA 0.105 4.225 4.120 -0.000 0.000 0.300 361 V C 0.340 176.320 176.094 -0.190 0.000 1.044 361 V CA -0.057 61.870 62.300 -0.621 0.000 1.095 361 V CB 0.431 31.975 31.823 -0.464 0.000 0.952 361 V HN 0.926 nan 8.190 nan 0.000 0.485 362 H N 9.085 128.081 119.070 -0.123 0.000 2.517 362 H HA 0.435 4.990 4.556 -0.000 0.000 0.317 362 H C -1.840 173.486 175.328 -0.003 0.000 1.080 362 H CA -2.082 53.957 56.048 -0.015 0.000 1.301 362 H CB 2.178 32.013 29.762 0.122 0.000 1.425 362 H HN 0.513 nan 8.280 nan 0.000 0.471 363 P HA -0.100 nan 4.420 nan 0.000 0.220 363 P C 0.441 177.827 177.300 0.144 0.000 1.148 363 P CA 0.855 64.005 63.100 0.083 0.000 0.803 363 P CB 0.719 32.398 31.700 -0.035 0.000 0.782 364 N N -1.495 117.403 118.700 0.330 0.000 2.336 364 N HA 0.009 4.749 4.740 -0.000 0.000 0.189 364 N C -0.126 175.122 175.510 -0.436 0.000 1.113 364 N CA 0.420 53.405 53.050 -0.108 0.000 0.858 364 N CB -0.030 38.324 38.487 -0.221 0.000 0.970 364 N HN 0.341 nan 8.380 nan 0.000 0.471 365 Y N 0.123 120.383 120.300 -0.067 0.000 2.624 365 Y HA 0.175 4.725 4.550 -0.000 0.000 0.302 365 Y C 1.093 177.002 175.900 0.016 0.000 0.939 365 Y CA -0.614 57.431 58.100 -0.091 0.000 1.116 365 Y CB -0.096 38.228 38.460 -0.226 0.000 1.173 365 Y HN -0.142 nan 8.280 nan 0.000 0.631 366 L N -2.466 118.839 121.223 0.136 0.000 2.217 366 L HA 0.062 4.402 4.340 -0.000 0.000 0.211 366 L C 1.103 178.054 176.870 0.136 0.000 1.107 366 L CA 1.699 56.613 54.840 0.122 0.000 0.783 366 L CB -0.044 42.053 42.059 0.062 0.000 0.919 366 L HN -0.008 nan 8.230 nan 0.000 0.442 367 D N 0.396 120.860 120.400 0.105 0.000 2.378 367 D HA -0.097 4.543 4.640 -0.000 0.000 0.222 367 D C 1.790 178.149 176.300 0.098 0.000 0.980 367 D CA 0.604 54.657 54.000 0.088 0.000 0.907 367 D CB -0.093 40.740 40.800 0.055 0.000 0.899 367 D HN 0.361 nan 8.370 nan 0.000 0.527 368 K N 0.013 120.491 120.400 0.131 0.000 2.288 368 K HA -0.025 4.295 4.320 -0.000 0.000 0.201 368 K C 0.340 176.964 176.600 0.040 0.000 1.048 368 K CA 0.457 56.788 56.287 0.073 0.000 0.956 368 K CB -0.209 32.320 32.500 0.049 0.000 0.746 368 K HN 0.341 nan 8.250 nan 0.000 0.461 369 H N 0.788 119.884 119.070 0.044 0.000 2.505 369 H HA 0.105 4.661 4.556 -0.000 0.000 0.351 369 H C 0.203 175.573 175.328 0.069 0.000 1.151 369 H CA -0.355 55.729 56.048 0.061 0.000 1.339 369 H CB 0.818 30.630 29.762 0.084 0.000 1.483 369 H HN -0.103 nan 8.280 nan 0.000 0.558 370 E N 2.338 122.633 120.200 0.158 0.000 2.384 370 E HA -0.084 4.266 4.350 -0.000 0.000 0.266 370 E C 0.706 177.435 176.600 0.215 0.000 1.012 370 E CA 0.006 56.504 56.400 0.164 0.000 0.901 370 E CB 0.547 30.337 29.700 0.149 0.000 0.967 370 E HN 0.887 nan 8.360 nan 0.000 0.435 371 E N 3.534 123.826 120.200 0.153 0.000 2.265 371 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 371 E C 0.459 177.110 176.600 0.084 0.000 0.996 371 E CA 0.850 57.316 56.400 0.109 0.000 0.832 371 E CB 0.111 29.855 29.700 0.073 0.000 0.756 371 E HN 0.265 nan 8.360 nan 0.000 0.491 372 N N 0.130 118.884 118.700 0.090 0.000 2.236 372 N HA 0.055 4.795 4.740 -0.000 0.000 0.196 372 N C -0.808 174.551 175.510 -0.253 0.000 1.114 372 N CA 0.228 53.233 53.050 -0.076 0.000 0.859 372 N CB 0.545 38.941 38.487 -0.152 0.000 0.982 372 N HN 0.271 nan 8.380 nan 0.000 0.493 373 H N -0.389 118.735 119.070 0.091 0.000 2.569 373 H HA 0.400 4.956 4.556 -0.000 0.000 0.247 373 H C -0.484 174.947 175.328 0.171 0.000 1.346 373 H CA -0.343 55.772 56.048 0.112 0.000 1.502 373 H CB 0.508 30.337 29.762 0.110 0.000 1.512 373 H HN -0.211 nan 8.280 nan 0.000 0.502 374 R N 2.747 123.350 120.500 0.172 0.000 2.443 374 R HA 0.285 4.625 4.340 -0.000 0.000 0.287 374 R C -2.935 173.386 176.300 0.034 0.000 1.425 374 R CA -1.786 54.357 56.100 0.071 0.000 1.300 374 R CB 1.274 31.585 30.300 0.018 0.000 1.129 374 R HN 0.324 nan 8.270 nan 0.000 0.577 375 P HA 0.109 nan 4.420 nan 0.000 0.275 375 P C -0.552 176.783 177.300 0.058 0.000 1.227 375 P CA -0.055 63.087 63.100 0.070 0.000 0.781 375 P CB 0.854 32.613 31.700 0.098 0.000 0.906 376 L N 2.938 124.212 121.223 0.086 0.000 2.334 376 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 376 L C 0.306 177.314 176.870 0.231 0.000 1.014 376 L CA -1.105 53.809 54.840 0.122 0.000 0.815 376 L CB 0.618 42.734 42.059 0.096 0.000 1.268 376 L HN 0.227 nan 8.230 nan 0.000 0.428 377 F N 2.873 122.809 119.950 -0.025 0.000 2.629 377 F HA 0.033 4.560 4.527 -0.000 0.000 0.369 377 F C 1.451 177.208 175.800 -0.072 0.000 1.125 377 F CA 0.515 58.438 58.000 -0.128 0.000 1.330 377 F CB -0.451 38.460 39.000 -0.149 0.000 1.071 377 F HN 0.576 nan 8.300 nan 0.000 0.595 378 H N -0.094 119.054 119.070 0.130 0.000 3.882 378 H HA -0.173 4.383 4.556 -0.000 0.000 0.165 378 H C 1.228 176.580 175.328 0.040 0.000 0.896 378 H CA 1.130 57.214 56.048 0.061 0.000 1.243 378 H CB -0.710 29.096 29.762 0.074 0.000 0.958 378 H HN 0.498 nan 8.280 nan 0.000 0.400 379 K N 1.355 121.833 120.400 0.129 0.000 2.387 379 K HA 0.379 4.699 4.320 -0.000 0.000 0.198 379 K C 1.188 177.815 176.600 0.046 0.000 1.022 379 K CA 0.881 57.220 56.287 0.087 0.000 1.128 379 K CB 1.165 33.716 32.500 0.085 0.000 0.853 379 K HN 0.584 nan 8.250 nan 0.000 0.523 380 G N 1.954 110.768 108.800 0.025 0.000 2.515 380 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 380 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 380 G C -3.178 171.710 174.900 -0.020 0.000 1.274 380 G CA -1.263 43.837 45.100 -0.001 0.000 0.874 380 G HN -0.197 nan 8.290 nan 0.000 0.631 381 P HA 0.350 nan 4.420 nan 0.000 0.266 381 P C 0.144 177.430 177.300 -0.023 0.000 1.195 381 P CA -0.258 62.814 63.100 -0.048 0.000 0.768 381 P CB 0.894 32.559 31.700 -0.060 0.000 0.838 382 V N 5.187 125.081 119.914 -0.033 0.000 2.383 382 V HA 0.165 4.285 4.120 -0.000 0.000 0.275 382 V C 0.531 176.602 176.094 -0.038 0.000 1.036 382 V CA -0.606 61.682 62.300 -0.019 0.000 0.889 382 V CB 0.706 32.517 31.823 -0.020 0.000 0.985 382 V HN 0.372 nan 8.190 nan 0.000 0.459 383 I N 5.618 126.180 120.570 -0.013 0.000 2.452 383 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 383 I C 0.556 176.638 176.117 -0.059 0.000 1.079 383 I CA 0.030 61.316 61.300 -0.024 0.000 1.387 383 I CB 0.334 38.346 38.000 0.022 0.000 1.404 383 I HN 0.604 nan 8.210 nan 0.000 0.522 384 K N 5.772 126.070 120.400 -0.171 0.000 2.185 384 K HA 0.685 5.005 4.320 -0.000 0.000 0.269 384 K C -0.899 175.637 176.600 -0.107 0.000 0.987 384 K CA -0.680 55.428 56.287 -0.297 0.000 0.865 384 K CB 2.314 34.263 32.500 -0.918 0.000 1.090 384 K HN 0.268 nan 8.250 nan 0.000 0.450 385 V N 2.826 122.796 119.914 0.093 0.000 2.638 385 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 385 V C -0.690 175.536 176.094 0.221 0.000 1.052 385 V CA -0.924 61.473 62.300 0.162 0.000 0.885 385 V CB 1.789 33.661 31.823 0.082 0.000 0.999 385 V HN 0.856 nan 8.190 nan 0.000 0.424 386 N N 2.283 121.091 118.700 0.181 0.000 2.572 386 N HA 0.168 4.908 4.740 -0.000 0.000 0.287 386 N C 0.346 175.857 175.510 0.001 0.000 1.136 386 N CA -0.228 52.845 53.050 0.039 0.000 0.900 386 N CB 2.360 40.785 38.487 -0.104 0.000 1.484 386 N HN 0.474 nan 8.380 nan 0.000 0.526 387 S N 2.346 118.043 115.700 -0.006 0.000 2.481 387 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 387 S C 1.154 175.739 174.600 -0.025 0.000 0.996 387 S CA 0.733 58.929 58.200 -0.006 0.000 0.942 387 S CB 0.094 63.294 63.200 -0.001 0.000 0.768 387 S HN 0.570 nan 8.310 nan 0.000 0.520 388 K N 1.204 121.576 120.400 -0.047 0.000 2.569 388 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 388 K C -0.071 176.485 176.600 -0.073 0.000 1.026 388 K CA 0.074 56.325 56.287 -0.059 0.000 1.093 388 K CB 0.027 32.486 32.500 -0.069 0.000 0.849 388 K HN 0.043 nan 8.250 nan 0.000 0.509 389 Q N -0.313 119.447 119.800 -0.067 0.000 2.494 389 Q HA -0.235 4.105 4.340 -0.000 0.000 0.272 389 Q C 0.358 176.286 176.000 -0.121 0.000 1.145 389 Q CA 0.612 56.376 55.803 -0.066 0.000 0.943 389 Q CB -1.381 27.329 28.738 -0.047 0.000 1.338 389 Q HN 0.354 nan 8.270 nan 0.000 0.492 390 R N -0.627 119.738 120.500 -0.225 0.000 2.189 390 R HA 0.039 4.379 4.340 -0.000 0.000 0.218 390 R C 0.394 176.396 176.300 -0.496 0.000 1.074 390 R CA 1.090 56.956 56.100 -0.389 0.000 0.991 390 R CB 0.135 30.111 30.300 -0.541 0.000 0.883 390 R HN 0.296 nan 8.270 nan 0.000 0.457 391 Y N -1.933 118.348 120.300 -0.032 0.000 2.576 391 Y HA 0.490 5.040 4.550 -0.000 0.000 0.346 391 Y C 0.820 176.696 175.900 -0.039 0.000 1.018 391 Y CA -1.418 56.662 58.100 -0.034 0.000 1.050 391 Y CB 1.257 39.701 38.460 -0.027 0.000 1.280 391 Y HN -0.197 nan 8.280 nan 0.000 0.474 392 A N 0.004 122.897 122.820 0.121 0.000 2.178 392 A HA 0.124 4.444 4.320 -0.000 0.000 0.211 392 A C 0.511 178.104 177.584 0.015 0.000 1.157 392 A CA 0.086 52.138 52.037 0.025 0.000 0.780 392 A CB -0.582 18.399 19.000 -0.031 0.000 0.828 392 A HN 0.575 nan 8.150 nan 0.000 0.476 393 S N 1.896 117.623 115.700 0.045 0.000 2.552 393 S HA 0.297 4.767 4.470 -0.000 0.000 0.289 393 S C 0.154 174.780 174.600 0.044 0.000 1.304 393 S CA 0.297 58.517 58.200 0.034 0.000 1.063 393 S CB 0.081 63.306 63.200 0.043 0.000 0.848 393 S HN 0.844 nan 8.310 nan 0.000 0.499 394 N N 0.286 119.013 118.700 0.045 0.000 3.157 394 N HA 0.636 5.376 4.740 -0.000 0.000 0.291 394 N C 0.456 176.007 175.510 0.069 0.000 1.515 394 N CA -0.481 52.600 53.050 0.051 0.000 0.807 394 N CB 0.198 38.708 38.487 0.039 0.000 1.672 394 N HN 0.324 nan 8.380 nan 0.000 0.592 395 A N -0.276 122.583 122.820 0.065 0.000 1.972 395 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 395 A C 1.711 179.350 177.584 0.091 0.000 1.169 395 A CA 1.907 53.987 52.037 0.072 0.000 0.635 395 A CB -1.013 18.023 19.000 0.060 0.000 0.810 395 A HN 0.415 nan 8.150 nan 0.000 0.446 396 V N 0.631 120.606 119.914 0.102 0.000 2.283 396 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 396 V C 2.971 179.186 176.094 0.203 0.000 1.039 396 V CA 2.269 64.650 62.300 0.135 0.000 1.016 396 V CB -0.819 31.082 31.823 0.131 0.000 0.650 396 V HN 0.786 nan 8.190 nan 0.000 0.449 397 S N -0.040 115.787 115.700 0.213 0.000 2.402 397 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 397 S C 1.744 176.521 174.600 0.295 0.000 1.021 397 S CA 1.478 59.884 58.200 0.343 0.000 0.974 397 S CB -0.436 62.847 63.200 0.138 0.000 0.800 397 S HN 0.707 nan 8.310 nan 0.000 0.484 398 E N 1.873 122.176 120.200 0.172 0.000 2.072 398 E HA 0.026 4.375 4.350 -0.000 0.000 0.191 398 E C 2.444 179.116 176.600 0.121 0.000 0.985 398 E CA 0.940 57.417 56.400 0.130 0.000 0.801 398 E CB -0.422 29.334 29.700 0.093 0.000 0.750 398 E HN 0.687 nan 8.360 nan 0.000 0.452 399 A N 1.191 124.083 122.820 0.119 0.000 1.902 399 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 399 A C 2.189 179.830 177.584 0.096 0.000 1.181 399 A CA 1.086 53.179 52.037 0.095 0.000 0.623 399 A CB -0.631 18.420 19.000 0.085 0.000 0.818 399 A HN 0.127 nan 8.150 nan 0.000 0.443 400 L N -1.284 120.017 121.223 0.129 0.000 2.046 400 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 400 L C 2.458 179.371 176.870 0.073 0.000 1.077 400 L CA 1.172 56.071 54.840 0.098 0.000 0.747 400 L CB -0.369 41.759 42.059 0.114 0.000 0.896 400 L HN 0.415 nan 8.230 nan 0.000 0.432 401 I N -0.424 120.202 120.570 0.094 0.000 2.439 401 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 401 I C 2.633 178.795 176.117 0.075 0.000 1.139 401 I CA 1.274 62.623 61.300 0.081 0.000 1.438 401 I CB -0.268 37.788 38.000 0.094 0.000 1.085 401 I HN 0.076 nan 8.210 nan 0.000 0.427 402 R N 0.080 120.624 120.500 0.073 0.000 2.096 402 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 402 R C 2.042 178.372 176.300 0.050 0.000 1.127 402 R CA 1.120 57.255 56.100 0.058 0.000 0.968 402 R CB -0.342 29.991 30.300 0.055 0.000 0.861 402 R HN 0.362 nan 8.270 nan 0.000 0.440 403 E N 0.437 120.668 120.200 0.051 0.000 2.077 403 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 403 E C 2.175 178.801 176.600 0.043 0.000 0.989 403 E CA 1.044 57.467 56.400 0.039 0.000 0.800 403 E CB -0.187 29.531 29.700 0.029 0.000 0.746 403 E HN 0.110 nan 8.360 nan 0.000 0.452 404 V N 1.632 121.584 119.914 0.064 0.000 2.295 404 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 404 V C 2.483 178.615 176.094 0.065 0.000 1.049 404 V CA 1.910 64.258 62.300 0.079 0.000 1.024 404 V CB -0.962 30.941 31.823 0.133 0.000 0.648 404 V HN 0.249 nan 8.190 nan 0.000 0.447 405 A N 0.311 123.167 122.820 0.060 0.000 1.933 405 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 405 A C 2.068 179.671 177.584 0.032 0.000 1.175 405 A CA 2.012 54.076 52.037 0.045 0.000 0.628 405 A CB -0.654 18.370 19.000 0.040 0.000 0.814 405 A HN 0.591 nan 8.150 nan 0.000 0.444 406 N N -0.049 118.670 118.700 0.031 0.000 2.142 406 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 406 N C 1.607 177.129 175.510 0.019 0.000 1.023 406 N CA 1.476 54.539 53.050 0.022 0.000 0.852 406 N CB -0.302 38.197 38.487 0.021 0.000 0.998 406 N HN 0.563 nan 8.380 nan 0.000 0.424 407 K N 0.299 120.713 120.400 0.023 0.000 2.097 407 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 407 K C 1.556 178.168 176.600 0.020 0.000 1.050 407 K CA 0.926 57.224 56.287 0.019 0.000 0.938 407 K CB 0.184 32.695 32.500 0.018 0.000 0.718 407 K HN 0.161 nan 8.250 nan 0.000 0.442 408 V N -2.378 117.552 119.914 0.026 0.000 3.542 408 V HA 0.224 4.344 4.120 -0.000 0.000 0.296 408 V C -0.161 175.943 176.094 0.016 0.000 1.364 408 V CA -0.377 61.938 62.300 0.025 0.000 1.118 408 V CB -0.536 31.308 31.823 0.036 0.000 0.972 408 V HN 0.214 nan 8.190 nan 0.000 0.430 409 K N -0.241 120.168 120.400 0.015 0.000 3.125 409 K HA -0.113 4.207 4.320 -0.000 0.000 0.268 409 K C -0.271 176.333 176.600 0.007 0.000 1.078 409 K CA 0.661 56.954 56.287 0.010 0.000 0.775 409 K CB -1.671 30.832 32.500 0.006 0.000 1.253 409 K HN 0.502 nan 8.250 nan 0.000 0.486 410 V N 1.688 121.607 119.914 0.009 0.000 2.398 410 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 410 V C -1.453 174.646 176.094 0.007 0.000 1.026 410 V CA -1.539 60.763 62.300 0.002 0.000 0.868 410 V CB 1.345 33.163 31.823 -0.007 0.000 0.982 410 V HN 0.100 nan 8.190 nan 0.000 0.443 411 P HA 0.401 nan 4.420 nan 0.000 0.274 411 P C -1.107 176.200 177.300 0.013 0.000 1.231 411 P CA -0.250 62.858 63.100 0.013 0.000 0.790 411 P CB 1.324 33.033 31.700 0.016 0.000 0.951 412 L N 1.415 122.649 121.223 0.018 0.000 2.370 412 L HA 0.459 4.799 4.340 -0.000 0.000 0.266 412 L C 0.602 177.488 176.870 0.026 0.000 1.002 412 L CA -0.750 54.102 54.840 0.020 0.000 0.818 412 L CB 2.187 44.261 42.059 0.026 0.000 1.325 412 L HN 0.374 nan 8.230 nan 0.000 0.418 413 Q N 0.633 120.449 119.800 0.027 0.000 2.486 413 Q HA 0.518 4.858 4.340 -0.000 0.000 0.274 413 Q C -1.605 174.427 176.000 0.053 0.000 1.076 413 Q CA -0.993 54.834 55.803 0.039 0.000 0.872 413 Q CB 2.635 31.398 28.738 0.042 0.000 1.383 413 Q HN 0.471 nan 8.270 nan 0.000 0.478 414 D N 1.069 121.519 120.400 0.084 0.000 2.780 414 D HA 0.445 5.085 4.640 -0.000 0.000 0.242 414 D C -1.473 174.954 176.300 0.211 0.000 1.135 414 D CA -0.461 53.623 54.000 0.141 0.000 0.859 414 D CB 2.392 43.301 40.800 0.182 0.000 1.530 414 D HN 0.119 nan 8.370 nan 0.000 0.493 415 L N 2.129 123.450 121.223 0.163 0.000 2.409 415 L HA 0.527 4.867 4.340 -0.000 0.000 0.272 415 L C -1.457 175.427 176.870 0.024 0.000 0.980 415 L CA -0.195 54.734 54.840 0.149 0.000 0.826 415 L CB 1.645 43.766 42.059 0.104 0.000 1.268 415 L HN 0.376 nan 8.230 nan 0.000 0.407 416 M N 5.167 124.653 119.600 -0.190 0.000 2.518 416 M HA 0.571 5.050 4.480 -0.000 0.000 0.300 416 M C -0.398 175.796 176.300 -0.177 0.000 1.175 416 M CA -1.126 54.016 55.300 -0.263 0.000 0.890 416 M CB 2.296 34.553 32.600 -0.571 0.000 1.710 416 M HN 0.457 nan 8.290 nan 0.000 0.453 417 V N 0.051 119.912 119.914 -0.089 0.000 3.214 417 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 417 V C 0.216 176.261 176.094 -0.083 0.000 1.078 417 V CA -0.832 61.414 62.300 -0.089 0.000 1.077 417 V CB 0.538 32.316 31.823 -0.074 0.000 1.121 417 V HN 0.863 nan 8.190 nan 0.000 0.468 418 R N 2.009 122.469 120.500 -0.065 0.000 2.679 418 R HA 0.139 4.479 4.340 -0.000 0.000 0.268 418 R C 1.104 177.378 176.300 -0.043 0.000 1.044 418 R CA 0.049 56.127 56.100 -0.037 0.000 1.105 418 R CB 0.056 30.339 30.300 -0.028 0.000 0.989 418 R HN 0.799 nan 8.270 nan 0.000 0.447 419 N N 1.881 120.563 118.700 -0.029 0.000 2.364 419 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 419 N C 0.473 175.963 175.510 -0.033 0.000 1.022 419 N CA 1.235 54.266 53.050 -0.031 0.000 0.883 419 N CB -0.040 38.434 38.487 -0.020 0.000 0.965 419 N HN 0.597 nan 8.380 nan 0.000 0.438 420 D N -0.551 119.831 120.400 -0.030 0.000 2.342 420 D HA -0.011 4.629 4.640 -0.000 0.000 0.221 420 D C -0.053 176.223 176.300 -0.040 0.000 1.101 420 D CA -0.091 53.891 54.000 -0.030 0.000 0.837 420 D CB -0.438 40.350 40.800 -0.021 0.000 0.938 420 D HN 0.051 nan 8.370 nan 0.000 0.508 421 T N -1.969 112.553 114.554 -0.052 0.000 2.812 421 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 421 T C -2.905 171.750 174.700 -0.075 0.000 0.990 421 T CA -1.927 60.133 62.100 -0.068 0.000 0.960 421 T CB 2.013 70.830 68.868 -0.085 0.000 0.948 421 T HN -0.297 nan 8.240 nan 0.000 0.438 422 P HA 0.298 nan 4.420 nan 0.000 0.269 422 P C -0.517 176.731 177.300 -0.087 0.000 1.209 422 P CA -0.571 62.481 63.100 -0.078 0.000 0.776 422 P CB 0.365 32.023 31.700 -0.071 0.000 0.876 423 C N 2.715 121.955 119.300 -0.099 0.000 2.411 423 C HA 0.763 5.223 4.460 -0.000 0.000 0.330 423 C C 1.037 175.960 174.990 -0.113 0.000 1.224 423 C CA -0.114 58.841 59.018 -0.106 0.000 1.770 423 C CB 0.203 27.837 27.740 -0.178 0.000 2.297 423 C HN 0.775 nan 8.230 nan 0.000 0.507 424 G N 2.945 111.720 108.800 -0.041 0.000 2.683 424 G HA2 0.505 4.465 3.960 -0.000 0.000 0.260 424 G HA3 0.505 4.465 3.960 -0.000 0.000 0.260 424 G C -0.230 174.604 174.900 -0.111 0.000 1.238 424 G CA 0.231 45.321 45.100 -0.018 0.000 0.934 424 G HN 0.914 nan 8.290 nan 0.000 0.534 425 T N -2.206 112.326 114.554 -0.037 0.000 2.838 425 T HA 0.737 5.087 4.350 -0.000 0.000 0.292 425 T C 0.031 174.770 174.700 0.066 0.000 1.113 425 T CA 0.150 62.219 62.100 -0.052 0.000 1.008 425 T CB 1.611 70.417 68.868 -0.104 0.000 1.259 425 T HN 1.091 nan 8.240 nan 0.000 0.520 426 T N -1.047 113.558 114.554 0.084 0.000 2.716 426 T HA 0.449 4.799 4.350 -0.000 0.000 0.286 426 T C 1.608 176.323 174.700 0.024 0.000 1.052 426 T CA -0.351 61.801 62.100 0.088 0.000 1.024 426 T CB 0.480 69.444 68.868 0.161 0.000 1.349 426 T HN 0.723 nan 8.240 nan 0.000 0.525 427 I N -1.001 119.581 120.570 0.021 0.000 2.916 427 I HA 0.221 4.391 4.170 -0.000 0.000 0.267 427 I C 2.021 178.119 176.117 -0.031 0.000 1.263 427 I CA 0.936 62.217 61.300 -0.033 0.000 1.471 427 I CB -1.111 36.869 38.000 -0.033 0.000 1.089 427 I HN 0.733 nan 8.210 nan 0.000 0.468 428 G N 2.771 111.577 108.800 0.010 0.000 2.545 428 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 428 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 428 G C -0.483 174.400 174.900 -0.027 0.000 1.218 428 G CA 1.188 46.285 45.100 -0.005 0.000 0.787 428 G HN 0.382 nan 8.290 nan 0.000 0.571 429 P HA 0.012 nan 4.420 nan 0.000 0.218 429 P C 1.897 179.168 177.300 -0.049 0.000 1.149 429 P CA 0.640 63.720 63.100 -0.033 0.000 0.817 429 P CB -0.045 31.634 31.700 -0.035 0.000 0.785 430 I N -1.362 119.172 120.570 -0.060 0.000 2.142 430 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 430 I C 2.218 178.284 176.117 -0.085 0.000 1.078 430 I CA 1.541 62.793 61.300 -0.080 0.000 1.343 430 I CB -0.736 37.200 38.000 -0.107 0.000 1.046 430 I HN -0.101 nan 8.210 nan 0.000 0.405 431 L N 0.393 121.560 121.223 -0.094 0.000 2.109 431 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 431 L C 2.871 179.707 176.870 -0.058 0.000 1.086 431 L CA 1.027 55.819 54.840 -0.080 0.000 0.760 431 L CB -0.732 41.286 42.059 -0.068 0.000 0.910 431 L HN 0.224 nan 8.230 nan 0.000 0.437 432 A N 0.538 123.320 122.820 -0.063 0.000 1.884 432 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 432 A C 2.545 180.103 177.584 -0.043 0.000 1.197 432 A CA 2.672 54.673 52.037 -0.061 0.000 0.637 432 A CB -0.847 18.116 19.000 -0.061 0.000 0.827 432 A HN 0.535 nan 8.150 nan 0.000 0.450 433 S N -1.117 114.559 115.700 -0.040 0.000 2.406 433 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 433 S C 1.944 176.531 174.600 -0.022 0.000 1.030 433 S CA 1.099 59.281 58.200 -0.030 0.000 0.958 433 S CB -0.304 62.877 63.200 -0.031 0.000 0.811 433 S HN 0.447 nan 8.310 nan 0.000 0.489 434 R N 1.266 121.748 120.500 -0.030 0.000 2.115 434 R HA 0.245 4.585 4.340 -0.000 0.000 0.230 434 R C 1.571 177.877 176.300 0.010 0.000 1.111 434 R CA 1.326 57.415 56.100 -0.019 0.000 0.976 434 R CB -0.654 29.621 30.300 -0.042 0.000 0.870 434 R HN 0.557 nan 8.270 nan 0.000 0.445 435 L N -1.704 119.523 121.223 0.008 0.000 2.858 435 L HA 0.375 4.715 4.340 -0.000 0.000 0.251 435 L C 0.705 177.578 176.870 0.006 0.000 1.149 435 L CA 0.185 55.048 54.840 0.037 0.000 0.955 435 L CB 0.779 42.856 42.059 0.031 0.000 1.289 435 L HN 0.409 nan 8.230 nan 0.000 0.542 436 G N 1.706 110.500 108.800 -0.010 0.000 2.198 436 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 436 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 436 G C -0.492 174.388 174.900 -0.033 0.000 1.042 436 G CA 0.174 45.261 45.100 -0.022 0.000 0.791 436 G HN 0.146 nan 8.290 nan 0.000 0.502 437 L N -0.105 121.093 121.223 -0.042 0.000 2.329 437 L HA 0.728 5.068 4.340 -0.000 0.000 0.279 437 L C 0.722 177.533 176.870 -0.097 0.000 1.014 437 L CA -1.476 53.331 54.840 -0.055 0.000 0.814 437 L CB 1.363 43.389 42.059 -0.055 0.000 1.257 437 L HN 0.272 nan 8.230 nan 0.000 0.424 438 R N 3.737 124.168 120.500 -0.115 0.000 2.370 438 R HA 0.531 4.871 4.340 -0.000 0.000 0.309 438 R C -1.579 174.413 176.300 -0.513 0.000 1.059 438 R CA -0.157 55.809 56.100 -0.223 0.000 0.981 438 R CB 0.405 30.635 30.300 -0.117 0.000 0.972 438 R HN 0.571 nan 8.270 nan 0.000 0.437 439 V N 6.422 126.068 119.914 -0.447 0.000 2.638 439 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 439 V C -0.894 174.974 176.094 -0.377 0.000 1.052 439 V CA -0.954 61.074 62.300 -0.454 0.000 0.885 439 V CB 1.765 33.452 31.823 -0.227 0.000 0.999 439 V HN 0.654 nan 8.190 nan 0.000 0.424 440 L N 3.662 124.658 121.223 -0.378 0.000 2.313 440 L HA 0.643 4.983 4.340 -0.000 0.000 0.283 440 L C -0.531 176.272 176.870 -0.110 0.000 1.013 440 L CA 0.172 54.927 54.840 -0.142 0.000 0.816 440 L CB 1.532 43.607 42.059 0.028 0.000 1.236 440 L HN 0.580 nan 8.230 nan 0.000 0.419 441 D N 5.571 125.924 120.400 -0.077 0.000 2.274 441 D HA 0.527 5.167 4.640 -0.000 0.000 0.239 441 D C -0.752 175.471 176.300 -0.128 0.000 1.104 441 D CA -0.002 53.938 54.000 -0.100 0.000 0.840 441 D CB 1.632 42.365 40.800 -0.110 0.000 1.100 441 D HN 0.438 nan 8.370 nan 0.000 0.477 442 L N -0.037 121.132 121.223 -0.091 0.000 2.397 442 L HA 0.991 5.331 4.340 -0.000 0.000 0.251 442 L C -0.279 176.561 176.870 -0.049 0.000 1.064 442 L CA -0.884 53.912 54.840 -0.073 0.000 0.859 442 L CB 1.702 43.759 42.059 -0.003 0.000 1.468 442 L HN 0.383 nan 8.230 nan 0.000 0.411 443 G N -1.006 107.760 108.800 -0.058 0.000 2.387 443 G HA2 0.519 4.479 3.960 -0.000 0.000 0.294 443 G HA3 0.519 4.479 3.960 -0.000 0.000 0.294 443 G C -1.652 173.174 174.900 -0.122 0.000 1.509 443 G CA -0.460 44.598 45.100 -0.071 0.000 0.806 443 G HN 0.714 nan 8.290 nan 0.000 0.546 444 S N 1.388 116.960 115.700 -0.213 0.000 2.617 444 S HA 0.691 5.161 4.470 -0.000 0.000 0.269 444 S C -2.246 172.217 174.600 -0.229 0.000 1.292 444 S CA -0.761 57.285 58.200 -0.257 0.000 1.010 444 S CB 1.594 64.522 63.200 -0.453 0.000 0.944 444 S HN 0.582 nan 8.310 nan 0.000 0.536 445 P HA 0.278 nan 4.420 nan 0.000 0.288 445 P C -1.292 175.951 177.300 -0.095 0.000 1.267 445 P CA -0.488 62.572 63.100 -0.068 0.000 0.815 445 P CB 0.717 32.441 31.700 0.039 0.000 0.989 446 Q N 1.885 121.719 119.800 0.057 0.000 2.511 446 Q HA 0.685 5.025 4.340 -0.000 0.000 0.289 446 Q C -1.668 174.475 176.000 0.239 0.000 1.021 446 Q CA -1.081 54.804 55.803 0.136 0.000 0.785 446 Q CB 1.276 30.022 28.738 0.014 0.000 1.472 446 Q HN 0.235 nan 8.270 nan 0.000 0.411 447 L N 0.507 121.871 121.223 0.235 0.000 2.313 447 L HA 0.793 5.133 4.340 -0.000 0.000 0.268 447 L C 0.205 177.156 176.870 0.135 0.000 1.010 447 L CA -0.616 54.316 54.840 0.152 0.000 0.814 447 L CB 1.782 43.833 42.059 -0.013 0.000 1.304 447 L HN 1.125 nan 8.230 nan 0.000 0.441 448 A N 1.690 124.589 122.820 0.132 0.000 2.905 448 A HA -0.236 4.084 4.320 -0.000 0.000 0.260 448 A C 0.320 177.963 177.584 0.098 0.000 1.398 448 A CA 0.642 52.735 52.037 0.093 0.000 0.840 448 A CB -2.002 17.038 19.000 0.067 0.000 1.059 448 A HN 0.747 nan 8.150 nan 0.000 0.647 449 M N -0.134 119.536 119.600 0.117 0.000 2.290 449 M HA 0.193 4.673 4.480 -0.000 0.000 0.356 449 M C 1.288 177.661 176.300 0.122 0.000 1.448 449 M CA 2.077 57.441 55.300 0.107 0.000 0.993 449 M CB -0.334 32.314 32.600 0.081 0.000 1.934 449 M HN 0.639 nan 8.290 nan 0.000 0.461 450 H N -0.369 118.750 119.070 0.082 0.000 3.628 450 H HA -0.152 4.404 4.556 -0.000 0.000 0.173 450 H C 0.418 175.778 175.328 0.053 0.000 0.941 450 H CA 0.290 56.370 56.048 0.054 0.000 1.224 450 H CB -1.062 28.692 29.762 -0.013 0.000 0.992 450 H HN 0.711 nan 8.280 nan 0.000 0.383 451 S N 0.313 116.115 115.700 0.169 0.000 2.576 451 S HA 0.121 4.591 4.470 -0.000 0.000 0.272 451 S C 1.474 176.128 174.600 0.091 0.000 1.352 451 S CA 0.218 58.484 58.200 0.110 0.000 1.021 451 S CB 0.651 63.887 63.200 0.060 0.000 0.887 451 S HN 0.379 nan 8.310 nan 0.000 0.542 452 I N 1.831 122.367 120.570 -0.057 0.000 2.756 452 I HA 0.064 4.234 4.170 -0.000 0.000 0.262 452 I C 1.089 177.110 176.117 -0.161 0.000 1.225 452 I CA 0.937 62.061 61.300 -0.292 0.000 1.472 452 I CB -0.031 37.436 38.000 -0.888 0.000 1.094 452 I HN 0.516 nan 8.210 nan 0.000 0.454 453 R N 1.136 121.589 120.500 -0.078 0.000 2.713 453 R HA 0.248 4.588 4.340 -0.000 0.000 0.282 453 R C -0.645 175.656 176.300 0.002 0.000 1.472 453 R CA -0.414 55.664 56.100 -0.037 0.000 1.060 453 R CB 0.885 31.143 30.300 -0.069 0.000 1.237 453 R HN 0.179 nan 8.270 nan 0.000 0.484 454 E N 2.345 122.578 120.200 0.054 0.000 2.622 454 E HA 0.319 4.669 4.350 -0.000 0.000 0.255 454 E C -0.438 176.231 176.600 0.114 0.000 1.313 454 E CA -0.589 55.859 56.400 0.080 0.000 1.011 454 E CB 1.232 30.995 29.700 0.104 0.000 1.173 454 E HN 0.316 nan 8.360 nan 0.000 0.601 455 M N 0.598 120.282 119.600 0.140 0.000 2.271 455 M HA 0.551 5.031 4.480 -0.000 0.000 0.285 455 M C -1.941 174.487 176.300 0.213 0.000 1.059 455 M CA -0.227 55.211 55.300 0.231 0.000 0.940 455 M CB 1.625 34.321 32.600 0.159 0.000 1.636 455 M HN 0.631 nan 8.290 nan 0.000 0.460 456 A N 2.738 125.630 122.820 0.120 0.000 2.504 456 A HA 0.885 5.205 4.320 -0.000 0.000 0.285 456 A C -0.989 176.323 177.584 -0.453 0.000 1.261 456 A CA -0.636 51.239 52.037 -0.271 0.000 0.741 456 A CB 0.676 19.574 19.000 -0.170 0.000 1.327 456 A HN 1.081 nan 8.150 nan 0.000 0.441 457 C N -1.075 117.718 119.300 -0.846 0.000 2.382 457 C HA 0.689 5.149 4.460 -0.000 0.000 0.363 457 C C 1.964 176.846 174.990 -0.180 0.000 1.213 457 C CA 0.389 59.083 59.018 -0.541 0.000 2.363 457 C CB 0.397 27.579 27.740 -0.929 0.000 2.397 457 C HN 1.140 nan 8.230 nan 0.000 0.573 458 T N -0.441 114.096 114.554 -0.029 0.000 2.746 458 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 458 T C 1.393 176.109 174.700 0.027 0.000 1.039 458 T CA 2.252 64.359 62.100 0.013 0.000 1.142 458 T CB -1.300 67.585 68.868 0.029 0.000 0.866 458 T HN 0.824 nan 8.240 nan 0.000 0.444 459 T N 1.496 116.105 114.554 0.091 0.000 2.833 459 T HA 0.057 4.407 4.350 -0.000 0.000 0.269 459 T C 2.293 177.009 174.700 0.026 0.000 1.054 459 T CA 1.137 63.290 62.100 0.089 0.000 1.135 459 T CB -1.059 67.935 68.868 0.210 0.000 0.869 459 T HN 0.625 nan 8.240 nan 0.000 0.466 460 G N 1.254 110.053 108.800 -0.001 0.000 2.462 460 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 460 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 460 G C 1.639 176.569 174.900 0.051 0.000 1.121 460 G CA 0.879 45.985 45.100 0.010 0.000 0.758 460 G HN 0.465 nan 8.290 nan 0.000 0.559 461 V N 0.626 120.561 119.914 0.035 0.000 2.261 461 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 461 V C 2.620 178.671 176.094 -0.072 0.000 1.047 461 V CA 1.631 63.885 62.300 -0.077 0.000 1.015 461 V CB -0.605 31.164 31.823 -0.091 0.000 0.642 461 V HN 0.347 nan 8.190 nan 0.000 0.446 462 L N -0.212 120.987 121.223 -0.039 0.000 2.093 462 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 462 L C 2.473 179.303 176.870 -0.067 0.000 1.085 462 L CA 1.790 56.605 54.840 -0.042 0.000 0.755 462 L CB -0.718 41.329 42.059 -0.020 0.000 0.904 462 L HN 0.336 nan 8.230 nan 0.000 0.435 463 Q N -1.304 118.458 119.800 -0.064 0.000 2.050 463 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 463 Q C 1.974 177.878 176.000 -0.160 0.000 0.980 463 Q CA 2.329 58.085 55.803 -0.078 0.000 0.840 463 Q CB -0.323 28.383 28.738 -0.054 0.000 0.898 463 Q HN 0.506 nan 8.270 nan 0.000 0.424 464 T N 1.382 115.794 114.554 -0.236 0.000 2.777 464 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 464 T C 1.885 176.196 174.700 -0.649 0.000 1.040 464 T CA 0.847 62.624 62.100 -0.539 0.000 1.141 464 T CB -0.196 68.380 68.868 -0.487 0.000 0.868 464 T HN 0.140 nan 8.240 nan 0.000 0.444 465 L N 0.784 121.803 121.223 -0.339 0.000 2.017 465 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 465 L C 2.958 179.779 176.870 -0.081 0.000 1.073 465 L CA 1.326 56.052 54.840 -0.190 0.000 0.745 465 L CB -1.146 40.837 42.059 -0.127 0.000 0.894 465 L HN 0.267 nan 8.230 nan 0.000 0.432 466 T N 0.141 114.651 114.554 -0.073 0.000 2.684 466 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 466 T C 1.810 176.520 174.700 0.017 0.000 1.036 466 T CA 1.551 63.642 62.100 -0.015 0.000 1.148 466 T CB -0.330 68.527 68.868 -0.019 0.000 0.863 466 T HN 0.129 nan 8.240 nan 0.000 0.436 467 L N 0.358 121.562 121.223 -0.032 0.000 2.046 467 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 467 L C 1.966 178.973 176.870 0.228 0.000 1.077 467 L CA 1.718 56.588 54.840 0.049 0.000 0.747 467 L CB -0.797 41.248 42.059 -0.022 0.000 0.896 467 L HN 0.109 nan 8.230 nan 0.000 0.432 468 F N 0.394 120.340 119.950 -0.005 0.000 2.146 468 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 468 F C 2.563 178.396 175.800 0.055 0.000 1.096 468 F CA 1.378 59.356 58.000 -0.037 0.000 1.275 468 F CB -1.125 37.844 39.000 -0.051 0.000 1.008 468 F HN 0.217 nan 8.300 nan 0.000 0.480 469 K N 0.325 120.916 120.400 0.318 0.000 2.057 469 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 469 K C 2.386 179.130 176.600 0.240 0.000 1.049 469 K CA 1.419 57.891 56.287 0.308 0.000 0.931 469 K CB -0.662 31.951 32.500 0.188 0.000 0.714 469 K HN 0.244 nan 8.250 nan 0.000 0.440 470 G N 0.872 109.779 108.800 0.178 0.000 2.469 470 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 470 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 470 G C 1.316 176.305 174.900 0.148 0.000 1.150 470 G CA 0.900 46.083 45.100 0.138 0.000 0.763 470 G HN 0.432 nan 8.290 nan 0.000 0.561 471 F N 1.067 121.021 119.950 0.007 0.000 2.069 471 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 471 F C 2.288 178.074 175.800 -0.024 0.000 1.113 471 F CA 1.201 59.151 58.000 -0.084 0.000 1.214 471 F CB -0.434 38.404 39.000 -0.270 0.000 0.978 471 F HN 0.106 nan 8.300 nan 0.000 0.474 472 F N 1.192 121.084 119.950 -0.096 0.000 2.126 472 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 472 F C 2.496 178.209 175.800 -0.145 0.000 1.096 472 F CA 1.859 59.749 58.000 -0.183 0.000 1.255 472 F CB -1.075 37.941 39.000 0.025 0.000 0.997 472 F HN 0.120 nan 8.300 nan 0.000 0.479 473 E N -0.426 119.844 120.200 0.117 0.000 2.158 473 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 473 E C 2.073 178.661 176.600 -0.019 0.000 0.982 473 E CA 0.834 57.264 56.400 0.050 0.000 0.823 473 E CB -0.088 29.651 29.700 0.064 0.000 0.766 473 E HN 0.374 nan 8.360 nan 0.000 0.468 474 L N -0.598 120.606 121.223 -0.032 0.000 2.575 474 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 474 L C 1.988 178.793 176.870 -0.109 0.000 1.075 474 L CA -0.227 54.579 54.840 -0.056 0.000 0.867 474 L CB -0.040 42.012 42.059 -0.012 0.000 1.097 474 L HN 0.062 nan 8.230 nan 0.000 0.485 475 F N 2.826 122.591 119.950 -0.308 0.000 2.065 475 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 475 F C -0.570 175.059 175.800 -0.285 0.000 1.112 475 F CA 1.885 59.674 58.000 -0.352 0.000 1.212 475 F CB -1.369 37.257 39.000 -0.624 0.000 0.975 475 F HN 0.029 nan 8.300 nan 0.000 0.476 476 P HA -0.196 nan 4.420 nan 0.000 0.215 476 P C 2.038 179.074 177.300 -0.439 0.000 1.153 476 P CA 2.614 65.328 63.100 -0.644 0.000 0.853 476 P CB -0.398 30.928 31.700 -0.624 0.000 0.788 477 S N -1.054 114.462 115.700 -0.306 0.000 2.442 477 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 477 S C 1.799 176.263 174.600 -0.227 0.000 1.007 477 S CA 1.102 59.174 58.200 -0.213 0.000 0.965 477 S CB -1.496 61.620 63.200 -0.141 0.000 0.773 477 S HN 0.089 nan 8.310 nan 0.000 0.504 478 L N 0.427 121.463 121.223 -0.311 0.000 2.375 478 L HA 0.314 4.654 4.340 -0.000 0.000 0.215 478 L C 2.907 179.573 176.870 -0.341 0.000 1.108 478 L CA 0.621 55.299 54.840 -0.270 0.000 0.830 478 L CB -0.463 41.477 42.059 -0.198 0.000 0.959 478 L HN 0.430 nan 8.230 nan 0.000 0.457 479 A N 0.125 122.600 122.820 -0.575 0.000 1.968 479 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 479 A C 2.103 179.569 177.584 -0.197 0.000 1.169 479 A CA 1.063 52.840 52.037 -0.432 0.000 0.638 479 A CB -0.234 18.416 19.000 -0.584 0.000 0.812 479 A HN 0.393 nan 8.150 nan 0.000 0.446 480 E N 0.137 120.223 120.200 -0.190 0.000 2.118 480 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 480 E C 1.040 177.591 176.600 -0.082 0.000 0.992 480 E CA 0.987 57.321 56.400 -0.109 0.000 0.804 480 E CB -0.199 29.438 29.700 -0.106 0.000 0.741 480 E HN 0.458 nan 8.360 nan 0.000 0.458 481 N N 0.654 119.296 118.700 -0.095 0.000 2.521 481 N HA -0.028 4.712 4.740 -0.000 0.000 0.188 481 N C -0.365 175.123 175.510 -0.037 0.000 1.146 481 N CA 0.212 53.225 53.050 -0.061 0.000 0.893 481 N CB 0.121 38.569 38.487 -0.064 0.000 0.975 481 N HN 0.044 nan 8.380 nan 0.000 0.451 482 L N 0.670 121.872 121.223 -0.035 0.000 2.287 482 L HA 0.426 4.766 4.340 -0.000 0.000 0.287 482 L C -0.158 176.717 176.870 0.007 0.000 1.022 482 L CA -0.737 54.102 54.840 -0.001 0.000 0.814 482 L CB 0.039 42.111 42.059 0.021 0.000 1.217 482 L HN 0.036 nan 8.230 nan 0.000 0.420 483 Y N 0.000 120.308 120.300 0.013 0.000 2.660 483 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 483 Y CA 0.000 58.109 58.100 0.014 0.000 1.940 483 Y CB 0.000 38.465 38.460 0.009 0.000 1.050 483 Y HN 0.000 nan 8.280 nan 0.000 0.758