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 3hig_1_B DATA FIRST_RESID 28 DATA SEQUENCE RKAGVFSDLS NQELKAVHSF LWSKKELRLQ PSSTTTMAKN TVFLIEMLLP DATA SEQUENCE KKYHVLRFLD KGERHPVREA RAVIFFGDQE HPNVTEFAVG PLPGPCYMRA DATA SEQUENCE LSPRPGYQSS WASRPISTAE YALLYHTLQE ATKPLHQFFL NTTGFSFQDc DATA SEQUENCE HDRcLAFTDV APRGVASGQR RSWLIIQRYV EGYFLHPTGL ELLVDHGSTD DATA SEQUENCE AGHWAVEQVW YNGKFYGSPE ELARKYADGE VDVVVLXXXX XXXXXXXXXX DATA SEQUENCE EPPLFSSHKP RGDFPSPIHV SGPRLVQPHG PRFRLEGNAV LYGGWSFAFR DATA SEQUENCE LRSSSGLQVL NVHFGGERIA YEVSVQEAVA LYGGHTPAGM QTKYLDVGWG DATA SEQUENCE LGSVTHELAP GIDcPETATF LDTFHYYDAD DPVHYPRALc LFEMPTGVPL DATA SEQUENCE RRHFNSNFKG GFNFYAGLKG QVLVLRTTST VYNXDYIWDF IFYPNGVMEA DATA SEQUENCE KMHATGYVHA TFYTPEGLRH GTRLHTHLIG NIHTHLVHYR VDLDVAGTKN DATA SEQUENCE SFQTLQMKLE NITNPWSPRH RVVQPTLEQT QYSWERQAAF RFKRKLPKYL DATA SEQUENCE LFTSPQENPW GHKRSYRLQI HSMADQVLPP GWQEEQAITW ARYPLAVTKY DATA SEQUENCE RESELCSSSI YHQNDPWDPP VVFEQFLHNN ENIENEDLVA WVTVGFLHIP DATA SEQUENCE HSEDIPNTAT PGNSVGFLLR PFNFFPEDPS LASRDTVIVW PRDNGPNYVQ DATA SEQUENCE RWIPEDRDCS MPPPFSYNGT YRPV 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.359 176.300 0.098 0.000 0.893 28 R CA 0.000 56.126 56.100 0.043 0.000 0.921 28 R CB 0.000 30.316 30.300 0.027 0.000 0.687 29 K N 0.927 121.371 120.400 0.072 0.000 2.148 29 K HA -0.039 4.331 4.320 0.084 0.000 0.204 29 K C 2.320 179.015 176.600 0.159 0.000 1.050 29 K CA 1.391 57.754 56.287 0.127 0.000 0.942 29 K CB 0.164 32.579 32.500 -0.141 0.000 0.724 29 K HN 0.766 nan 8.250 nan 0.000 0.446 30 A N 1.620 124.515 122.820 0.125 0.000 2.042 30 A HA -0.181 4.189 4.320 0.084 0.000 0.222 30 A C 2.359 180.026 177.584 0.138 0.000 1.167 30 A CA 1.986 54.139 52.037 0.193 0.000 0.649 30 A CB -1.264 17.791 19.000 0.092 0.000 0.809 30 A HN 0.455 nan 8.150 nan 0.000 0.457 31 G N -0.792 108.063 108.800 0.092 0.000 2.485 31 G HA2 -0.187 3.824 3.960 0.084 0.000 0.221 31 G HA3 -0.187 3.824 3.960 0.084 0.000 0.221 31 G C 1.527 176.459 174.900 0.054 0.000 1.115 31 G CA 1.119 46.265 45.100 0.077 0.000 0.751 31 G HN 0.602 nan 8.290 nan 0.000 0.567 32 V N -0.195 119.685 119.914 -0.057 0.000 2.568 32 V HA -0.077 4.094 4.120 0.084 0.000 0.253 32 V C 2.073 177.986 176.094 -0.301 0.000 1.072 32 V CA 1.592 63.711 62.300 -0.301 0.000 1.084 32 V CB -0.412 31.005 31.823 -0.676 0.000 0.676 32 V HN 0.351 nan 8.190 nan 0.000 0.469 33 F N 0.675 120.636 119.950 0.017 0.000 2.727 33 F HA 0.299 4.876 4.527 0.083 0.000 0.302 33 F C 1.478 177.263 175.800 -0.025 0.000 1.097 33 F CA 0.231 58.226 58.000 -0.009 0.000 1.330 33 F CB -0.567 38.405 39.000 -0.046 0.000 1.084 33 F HN 0.204 nan 8.300 nan 0.000 0.578 34 S N -0.263 115.499 115.700 0.103 0.000 2.584 34 S HA 0.184 4.704 4.470 0.084 0.000 0.273 34 S C -0.063 174.568 174.600 0.052 0.000 1.311 34 S CA -1.087 57.133 58.200 0.034 0.000 1.034 34 S CB 0.993 64.190 63.200 -0.004 0.000 0.939 34 S HN 0.053 nan 8.310 nan 0.000 0.513 35 D N 1.129 121.559 120.400 0.049 0.000 2.361 35 D HA 0.160 4.851 4.640 0.084 0.000 0.239 35 D C 0.379 176.713 176.300 0.057 0.000 1.200 35 D CA -0.073 53.970 54.000 0.072 0.000 0.915 35 D CB 0.417 41.270 40.800 0.087 0.000 1.170 35 D HN 0.503 nan 8.370 nan 0.000 0.444 36 L N 1.178 122.439 121.223 0.063 0.000 2.453 36 L HA 0.015 4.405 4.340 0.084 0.000 0.272 36 L C 1.363 178.248 176.870 0.026 0.000 1.182 36 L CA -0.224 54.637 54.840 0.036 0.000 0.858 36 L CB 0.287 42.370 42.059 0.040 0.000 1.120 36 L HN 0.399 nan 8.230 nan 0.000 0.474 37 S N 1.440 117.125 115.700 -0.025 0.000 2.608 37 S HA 0.010 4.530 4.470 0.084 0.000 0.261 37 S C 0.939 175.401 174.600 -0.231 0.000 1.314 37 S CA -0.415 57.730 58.200 -0.092 0.000 0.992 37 S CB 0.841 63.980 63.200 -0.101 0.000 0.935 37 S HN 0.694 nan 8.310 nan 0.000 0.564 38 N N 1.233 119.578 118.700 -0.591 0.000 2.094 38 N HA -0.185 4.605 4.740 0.084 0.000 0.191 38 N C 2.434 177.732 175.510 -0.354 0.000 1.023 38 N CA 2.443 55.005 53.050 -0.814 0.000 0.857 38 N CB -1.199 36.398 38.487 -1.483 0.000 1.013 38 N HN 0.842 nan 8.380 nan 0.000 0.426 39 Q N 0.608 120.251 119.800 -0.261 0.000 2.050 39 Q HA -0.107 4.284 4.340 0.084 0.000 0.202 39 Q C 2.123 178.057 176.000 -0.109 0.000 0.980 39 Q CA 1.907 57.620 55.803 -0.151 0.000 0.840 39 Q CB -1.026 27.642 28.738 -0.117 0.000 0.898 39 Q HN 0.726 nan 8.270 nan 0.000 0.424 40 E N 0.098 120.237 120.200 -0.102 0.000 2.110 40 E HA -0.063 4.338 4.350 0.084 0.000 0.193 40 E C 2.159 178.723 176.600 -0.060 0.000 0.988 40 E CA 1.063 57.419 56.400 -0.073 0.000 0.804 40 E CB -0.135 29.530 29.700 -0.059 0.000 0.745 40 E HN 0.602 nan 8.360 nan 0.000 0.458 41 L N 0.877 122.061 121.223 -0.065 0.000 2.056 41 L HA -0.197 4.193 4.340 0.084 0.000 0.207 41 L C 2.335 179.168 176.870 -0.063 0.000 1.078 41 L CA 1.268 56.075 54.840 -0.055 0.000 0.749 41 L CB -0.242 41.813 42.059 -0.007 0.000 0.901 41 L HN 0.013 nan 8.230 nan 0.000 0.433 42 K N -0.079 120.289 120.400 -0.054 0.000 2.097 42 K HA -0.151 4.219 4.320 0.084 0.000 0.206 42 K C 2.216 178.830 176.600 0.024 0.000 1.049 42 K CA 1.343 57.622 56.287 -0.013 0.000 0.933 42 K CB -0.268 32.210 32.500 -0.036 0.000 0.717 42 K HN 0.300 nan 8.250 nan 0.000 0.442 43 A N 0.894 123.710 122.820 -0.006 0.000 1.898 43 A HA -0.105 4.265 4.320 0.084 0.000 0.216 43 A C 2.344 179.955 177.584 0.044 0.000 1.181 43 A CA 1.294 53.334 52.037 0.005 0.000 0.620 43 A CB -0.519 18.457 19.000 -0.040 0.000 0.819 43 A HN 0.066 nan 8.150 nan 0.000 0.442 44 V N -0.548 119.382 119.914 0.026 0.000 2.358 44 V HA -0.246 3.924 4.120 0.084 0.000 0.246 44 V C 2.451 178.633 176.094 0.147 0.000 1.047 44 V CA 2.034 64.374 62.300 0.067 0.000 1.035 44 V CB -0.998 30.832 31.823 0.012 0.000 0.658 44 V HN 0.758 nan 8.190 nan 0.000 0.452 45 H N -0.338 118.713 119.070 -0.032 0.000 2.321 45 H HA -0.165 4.438 4.556 0.078 0.000 0.300 45 H C 2.662 178.060 175.328 0.117 0.000 1.087 45 H CA 1.866 57.907 56.048 -0.013 0.000 1.319 45 H CB 0.124 29.794 29.762 -0.154 0.000 1.379 45 H HN 0.444 nan 8.280 nan 0.000 0.501 46 S N -0.029 115.733 115.700 0.104 0.000 2.359 46 S HA -0.206 4.314 4.470 0.084 0.000 0.224 46 S C 2.084 176.758 174.600 0.124 0.000 1.035 46 S CA 1.495 59.741 58.200 0.076 0.000 1.018 46 S CB -0.736 62.509 63.200 0.075 0.000 0.876 46 S HN 0.468 nan 8.310 nan 0.000 0.448 47 F N 2.097 122.047 119.950 -0.001 0.000 2.069 47 F HA -0.063 4.518 4.527 0.089 0.000 0.298 47 F C 1.859 177.649 175.800 -0.017 0.000 1.113 47 F CA 1.727 59.718 58.000 -0.016 0.000 1.214 47 F CB -0.604 38.369 39.000 -0.044 0.000 0.978 47 F HN 0.213 nan 8.300 nan 0.000 0.474 48 L N -1.542 119.599 121.223 -0.137 0.000 2.046 48 L HA -0.232 4.158 4.340 0.084 0.000 0.208 48 L C 2.272 178.997 176.870 -0.243 0.000 1.077 48 L CA 1.448 56.123 54.840 -0.275 0.000 0.747 48 L CB -0.954 41.047 42.059 -0.098 0.000 0.896 48 L HN 0.252 nan 8.230 nan 0.000 0.432 49 W N 0.130 121.249 121.300 -0.302 0.000 2.465 49 W HA -0.143 4.542 4.660 0.042 0.000 0.268 49 W C 2.908 179.315 176.519 -0.187 0.000 1.242 49 W CA 1.406 58.603 57.345 -0.246 0.000 1.248 49 W CB -0.349 28.948 29.460 -0.271 0.000 1.118 49 W HN 0.215 nan 8.180 nan 0.000 0.587 50 S N -0.210 115.477 115.700 -0.021 0.000 2.561 50 S HA 0.002 4.522 4.470 0.084 0.000 0.225 50 S C 0.693 175.204 174.600 -0.150 0.000 0.977 50 S CA 0.263 58.426 58.200 -0.061 0.000 0.926 50 S CB -0.365 62.801 63.200 -0.057 0.000 0.769 50 S HN 0.100 nan 8.310 nan 0.000 0.533 51 K N 1.562 121.816 120.400 -0.242 0.000 2.206 51 K HA 0.343 4.713 4.320 0.084 0.000 0.268 51 K C 1.178 177.669 176.600 -0.181 0.000 1.111 51 K CA 0.100 56.246 56.287 -0.235 0.000 0.955 51 K CB 1.021 33.330 32.500 -0.319 0.000 1.406 51 K HN 0.318 nan 8.250 nan 0.000 0.427 52 K N 2.705 123.031 120.400 -0.124 0.000 2.209 52 K HA -0.155 4.215 4.320 0.084 0.000 0.204 52 K C 1.571 178.110 176.600 -0.102 0.000 1.048 52 K CA 1.666 57.890 56.287 -0.105 0.000 0.940 52 K CB -0.424 32.038 32.500 -0.062 0.000 0.729 52 K HN 0.689 nan 8.250 nan 0.000 0.451 53 E N 0.907 121.052 120.200 -0.091 0.000 2.418 53 E HA -0.078 4.322 4.350 0.084 0.000 0.197 53 E C 1.650 178.216 176.600 -0.056 0.000 1.026 53 E CA 0.703 57.062 56.400 -0.068 0.000 0.862 53 E CB -0.368 29.297 29.700 -0.058 0.000 0.799 53 E HN 0.618 nan 8.360 nan 0.000 0.518 54 L N 0.216 121.392 121.223 -0.079 0.000 2.395 54 L HA 0.130 4.520 4.340 0.084 0.000 0.218 54 L C 0.878 177.723 176.870 -0.042 0.000 1.130 54 L CA 0.284 55.118 54.840 -0.011 0.000 0.826 54 L CB -0.423 41.583 42.059 -0.089 0.000 0.941 54 L HN 0.006 nan 8.230 nan 0.000 0.451 55 R N 0.278 120.703 120.500 -0.125 0.000 3.516 55 R HA -0.164 4.226 4.340 0.084 0.000 0.271 55 R C -0.286 175.885 176.300 -0.216 0.000 1.098 55 R CA 0.159 56.178 56.100 -0.134 0.000 0.732 55 R CB -2.190 28.081 30.300 -0.049 0.000 1.152 55 R HN 0.306 nan 8.270 nan 0.000 0.455 56 L N 1.207 122.164 121.223 -0.444 0.000 2.453 56 L HA 0.054 4.444 4.340 0.084 0.000 0.272 56 L C 0.950 177.429 176.870 -0.651 0.000 1.182 56 L CA 0.796 55.252 54.840 -0.640 0.000 0.858 56 L CB 0.575 41.922 42.059 -1.188 0.000 1.120 56 L HN 0.221 nan 8.230 nan 0.000 0.474 57 Q N 3.522 123.188 119.800 -0.222 0.000 2.458 57 Q HA 0.484 4.874 4.340 0.084 0.000 0.282 57 Q C -2.487 173.733 176.000 0.366 0.000 1.106 57 Q CA -2.116 53.744 55.803 0.095 0.000 0.814 57 Q CB 2.121 30.919 28.738 0.100 0.000 1.425 57 Q HN 0.339 nan 8.270 nan 0.000 0.437 58 P HA -0.064 nan 4.420 nan 0.000 0.271 58 P C 0.477 177.936 177.300 0.265 0.000 1.218 58 P CA 0.124 63.466 63.100 0.403 0.000 0.780 58 P CB 0.711 32.582 31.700 0.285 0.000 0.901 59 S N 1.394 117.231 115.700 0.228 0.000 2.392 59 S HA -0.226 4.294 4.470 0.084 0.000 0.232 59 S C 1.717 176.411 174.600 0.158 0.000 1.041 59 S CA 1.955 60.252 58.200 0.162 0.000 1.026 59 S CB -1.677 61.564 63.200 0.069 0.000 0.845 59 S HN 0.555 nan 8.310 nan 0.000 0.465 60 S N 0.576 116.361 115.700 0.142 0.000 2.515 60 S HA 0.072 4.592 4.470 0.084 0.000 0.231 60 S C 0.713 175.388 174.600 0.125 0.000 0.987 60 S CA 0.289 58.565 58.200 0.126 0.000 0.936 60 S CB -1.086 62.173 63.200 0.099 0.000 0.766 60 S HN 0.502 nan 8.310 nan 0.000 0.528 61 T N 3.923 118.560 114.554 0.138 0.000 2.902 61 T HA 0.216 4.616 4.350 0.084 0.000 0.301 61 T C 0.797 175.564 174.700 0.112 0.000 1.012 61 T CA 0.589 62.760 62.100 0.119 0.000 1.151 61 T CB 0.877 69.821 68.868 0.128 0.000 0.946 61 T HN 0.535 nan 8.240 nan 0.000 0.542 62 T N 0.335 114.937 114.554 0.079 0.000 3.843 62 T HA 0.381 4.781 4.350 0.084 0.000 0.227 62 T C 0.220 174.943 174.700 0.039 0.000 1.043 62 T CA -0.682 61.457 62.100 0.065 0.000 1.012 62 T CB -0.415 68.470 68.868 0.029 0.000 1.279 62 T HN 0.569 nan 8.240 nan 0.000 0.730 63 T N 0.985 115.584 114.554 0.074 0.000 2.932 63 T HA 0.427 4.827 4.350 0.084 0.000 0.318 63 T C 0.696 175.480 174.700 0.140 0.000 1.265 63 T CA -0.836 61.297 62.100 0.056 0.000 1.036 63 T CB 1.241 70.126 68.868 0.029 0.000 1.209 63 T HN 0.105 nan 8.240 nan 0.000 0.484 64 M N 2.107 121.809 119.600 0.169 0.000 2.558 64 M HA 0.265 4.795 4.480 0.084 0.000 0.255 64 M C 1.404 177.887 176.300 0.305 0.000 1.113 64 M CA 0.412 55.900 55.300 0.313 0.000 1.097 64 M CB -0.893 31.956 32.600 0.416 0.000 1.426 64 M HN 0.680 nan 8.290 nan 0.000 0.488 65 A N 2.739 125.652 122.820 0.155 0.000 3.168 65 A HA 0.302 4.673 4.320 0.084 0.000 0.260 65 A C 0.285 177.919 177.584 0.083 0.000 1.598 65 A CA -0.345 51.739 52.037 0.079 0.000 1.285 65 A CB -0.737 18.268 19.000 0.008 0.000 1.149 65 A HN 0.480 nan 8.150 nan 0.000 0.630 66 K N -0.482 120.007 120.400 0.148 0.000 2.532 66 K HA 0.519 4.889 4.320 0.084 0.000 0.265 66 K C -1.530 175.177 176.600 0.180 0.000 0.948 66 K CA -1.065 55.303 56.287 0.134 0.000 0.842 66 K CB 1.074 33.659 32.500 0.142 0.000 1.392 66 K HN 0.066 nan 8.250 nan 0.000 0.436 67 N N 1.414 120.186 118.700 0.120 0.000 2.455 67 N HA 0.372 5.162 4.740 0.084 0.000 0.280 67 N C -1.071 174.462 175.510 0.039 0.000 1.055 67 N CA -0.232 52.875 53.050 0.095 0.000 0.961 67 N CB 1.712 40.255 38.487 0.092 0.000 1.121 67 N HN 0.783 nan 8.380 nan 0.000 0.476 68 T N -2.771 111.816 114.554 0.056 0.000 2.982 68 T HA 0.366 4.767 4.350 0.084 0.000 0.321 68 T C -0.730 174.008 174.700 0.062 0.000 1.229 68 T CA -0.843 61.311 62.100 0.090 0.000 1.044 68 T CB 0.594 69.564 68.868 0.170 0.000 1.184 68 T HN 0.020 nan 8.240 nan 0.000 0.477 69 V N 4.256 124.270 119.914 0.167 0.000 2.405 69 V HA 0.278 4.448 4.120 0.084 0.000 0.264 69 V C 0.782 177.026 176.094 0.250 0.000 1.048 69 V CA -0.318 62.116 62.300 0.223 0.000 0.966 69 V CB -0.127 31.901 31.823 0.342 0.000 1.015 69 V HN 0.914 nan 8.190 nan 0.000 0.477 70 F N 6.003 125.859 119.950 -0.156 0.000 2.317 70 F HA 0.378 4.950 4.527 0.075 0.000 0.293 70 F C 0.355 176.027 175.800 -0.213 0.000 1.085 70 F CA 0.568 58.300 58.000 -0.446 0.000 1.390 70 F CB 0.543 38.849 39.000 -1.155 0.000 1.077 70 F HN 0.385 nan 8.300 nan 0.000 0.517 71 L N 1.006 122.242 121.223 0.023 0.000 2.482 71 L HA 0.563 4.953 4.340 0.084 0.000 0.263 71 L C -1.708 175.326 176.870 0.273 0.000 0.957 71 L CA -0.789 54.105 54.840 0.089 0.000 0.836 71 L CB 1.882 43.991 42.059 0.084 0.000 1.324 71 L HN -0.016 nan 8.230 nan 0.000 0.406 72 I N 4.420 125.188 120.570 0.330 0.000 2.466 72 I HA 0.607 4.827 4.170 0.084 0.000 0.289 72 I C -0.766 175.470 176.117 0.199 0.000 1.026 72 I CA -0.313 61.097 61.300 0.184 0.000 1.078 72 I CB 1.962 39.955 38.000 -0.012 0.000 1.249 72 I HN 0.807 nan 8.210 nan 0.000 0.429 73 E N 6.090 126.392 120.200 0.170 0.000 2.449 73 E HA 0.437 4.837 4.350 0.084 0.000 0.278 73 E C -1.143 175.537 176.600 0.132 0.000 0.992 73 E CA -1.094 55.401 56.400 0.160 0.000 0.807 73 E CB 2.049 31.854 29.700 0.174 0.000 1.350 73 E HN 0.339 nan 8.360 nan 0.000 0.462 74 M N 2.146 121.818 119.600 0.120 0.000 2.239 74 M HA 0.182 4.712 4.480 0.084 0.000 0.348 74 M C -1.228 175.146 176.300 0.124 0.000 1.239 74 M CA -0.396 54.967 55.300 0.106 0.000 1.114 74 M CB 0.484 33.141 32.600 0.095 0.000 1.641 74 M HN 0.685 nan 8.290 nan 0.000 0.453 75 L N 7.121 128.418 121.223 0.123 0.000 2.277 75 L HA 0.359 4.749 4.340 0.084 0.000 0.284 75 L C -0.989 175.965 176.870 0.140 0.000 1.028 75 L CA -0.488 54.436 54.840 0.141 0.000 0.835 75 L CB 0.811 42.960 42.059 0.150 0.000 1.215 75 L HN 0.728 nan 8.230 nan 0.000 0.425 76 L N 8.489 129.807 121.223 0.158 0.000 2.499 76 L HA 0.332 4.722 4.340 0.084 0.000 0.273 76 L C -1.774 175.200 176.870 0.173 0.000 1.195 76 L CA -0.522 54.421 54.840 0.172 0.000 0.882 76 L CB -0.246 41.949 42.059 0.225 0.000 1.133 76 L HN 0.553 nan 8.230 nan 0.000 0.483 77 P HA 0.100 nan 4.420 nan 0.000 0.273 77 P C -1.111 176.319 177.300 0.217 0.000 1.250 77 P CA -0.468 62.733 63.100 0.168 0.000 0.793 77 P CB 0.314 32.083 31.700 0.114 0.000 1.011 78 K N 0.529 121.074 120.400 0.242 0.000 2.382 78 K HA 0.000 4.370 4.320 0.084 0.000 0.275 78 K C 1.433 178.130 176.600 0.161 0.000 1.009 78 K CA -0.083 56.332 56.287 0.212 0.000 0.970 78 K CB 0.452 33.057 32.500 0.175 0.000 0.934 78 K HN 0.384 nan 8.250 nan 0.000 0.479 79 K N 2.148 122.619 120.400 0.119 0.000 2.063 79 K HA -0.256 4.114 4.320 0.084 0.000 0.208 79 K C 1.860 178.384 176.600 -0.127 0.000 1.048 79 K CA 1.550 57.777 56.287 -0.100 0.000 0.928 79 K CB -0.145 32.081 32.500 -0.457 0.000 0.713 79 K HN 0.612 nan 8.250 nan 0.000 0.442 80 Y N 1.205 121.376 120.300 -0.215 0.000 2.114 80 Y HA -0.337 4.263 4.550 0.083 0.000 0.282 80 Y C 2.174 177.975 175.900 -0.165 0.000 1.165 80 Y CA 2.174 60.127 58.100 -0.245 0.000 1.148 80 Y CB -0.321 37.938 38.460 -0.334 0.000 0.972 80 Y HN 0.267 nan 8.280 nan 0.000 0.504 81 H N -1.377 117.675 119.070 -0.030 0.000 2.395 81 H HA -0.062 4.544 4.556 0.083 0.000 0.299 81 H C 2.540 177.833 175.328 -0.059 0.000 1.070 81 H CA 1.546 57.542 56.048 -0.086 0.000 1.356 81 H CB -0.700 29.088 29.762 0.043 0.000 1.401 81 H HN 0.347 nan 8.280 nan 0.000 0.524 82 V N 1.283 121.258 119.914 0.102 0.000 2.295 82 V HA -0.204 3.967 4.120 0.084 0.000 0.246 82 V C 2.770 178.954 176.094 0.150 0.000 1.049 82 V CA 1.272 63.652 62.300 0.133 0.000 1.024 82 V CB -0.601 31.356 31.823 0.224 0.000 0.648 82 V HN 0.240 nan 8.190 nan 0.000 0.447 83 L N -0.765 120.480 121.223 0.037 0.000 2.156 83 L HA -0.116 4.274 4.340 0.084 0.000 0.208 83 L C 2.764 179.607 176.870 -0.046 0.000 1.095 83 L CA 1.326 56.170 54.840 0.005 0.000 0.770 83 L CB -0.466 41.538 42.059 -0.092 0.000 0.914 83 L HN 0.228 nan 8.230 nan 0.000 0.439 84 R N -0.784 119.642 120.500 -0.123 0.000 2.096 84 R HA -0.196 4.195 4.340 0.084 0.000 0.235 84 R C 2.215 178.525 176.300 0.016 0.000 1.127 84 R CA 1.620 57.654 56.100 -0.110 0.000 0.968 84 R CB -0.384 29.788 30.300 -0.214 0.000 0.861 84 R HN 0.198 nan 8.270 nan 0.000 0.440 85 F N 1.150 121.044 119.950 -0.094 0.000 2.102 85 F HA -0.125 4.452 4.527 0.084 0.000 0.298 85 F C 1.660 177.422 175.800 -0.063 0.000 1.105 85 F CA 1.474 59.422 58.000 -0.086 0.000 1.239 85 F CB -0.264 38.648 39.000 -0.147 0.000 0.991 85 F HN -0.106 nan 8.300 nan 0.000 0.474 86 L N -0.363 120.719 121.223 -0.235 0.000 2.095 86 L HA -0.110 4.281 4.340 0.084 0.000 0.204 86 L C 1.690 178.456 176.870 -0.173 0.000 1.080 86 L CA 1.373 56.030 54.840 -0.305 0.000 0.759 86 L CB -0.569 41.473 42.059 -0.027 0.000 0.914 86 L HN 0.066 nan 8.230 nan 0.000 0.439 87 D N -0.696 119.656 120.400 -0.079 0.000 2.388 87 D HA 0.007 4.697 4.640 0.084 0.000 0.208 87 D C 1.277 177.547 176.300 -0.050 0.000 1.035 87 D CA 0.699 54.674 54.000 -0.041 0.000 0.875 87 D CB 0.395 41.193 40.800 -0.003 0.000 0.984 87 D HN 0.179 nan 8.370 nan 0.000 0.508 88 K N -0.248 120.118 120.400 -0.057 0.000 2.506 88 K HA 0.327 4.697 4.320 0.084 0.000 0.204 88 K C 0.662 177.243 176.600 -0.032 0.000 1.045 88 K CA 0.071 56.335 56.287 -0.039 0.000 1.074 88 K CB 1.716 34.195 32.500 -0.035 0.000 0.842 88 K HN 0.004 nan 8.250 nan 0.000 0.514 89 G N 2.132 110.897 108.800 -0.057 0.000 2.225 89 G HA2 -0.299 3.711 3.960 0.084 0.000 0.267 89 G HA3 -0.299 3.711 3.960 0.084 0.000 0.267 89 G C -0.110 174.806 174.900 0.026 0.000 1.024 89 G CA 0.529 45.605 45.100 -0.040 0.000 0.784 89 G HN 0.389 nan 8.290 nan 0.000 0.507 90 E N -0.338 119.900 120.200 0.064 0.000 2.849 90 E HA 0.657 5.058 4.350 0.084 0.000 0.257 90 E C 1.115 177.838 176.600 0.204 0.000 1.306 90 E CA -0.337 56.124 56.400 0.102 0.000 1.058 90 E CB 0.414 30.156 29.700 0.069 0.000 1.249 90 E HN 0.569 nan 8.360 nan 0.000 0.638 91 R N 1.242 121.826 120.500 0.140 0.000 2.590 91 R HA -0.010 4.380 4.340 0.084 0.000 0.274 91 R C 0.240 176.575 176.300 0.058 0.000 1.061 91 R CA -0.105 56.066 56.100 0.120 0.000 1.081 91 R CB -0.542 29.780 30.300 0.038 0.000 0.984 91 R HN 0.539 nan 8.270 nan 0.000 0.448 92 H N 3.177 122.115 119.070 -0.219 0.000 3.140 92 H HA 0.029 4.635 4.556 0.084 0.000 0.316 92 H C -1.962 173.084 175.328 -0.470 0.000 0.986 92 H CA -0.906 54.640 56.048 -0.837 0.000 1.397 92 H CB 0.718 30.109 29.762 -0.619 0.000 1.377 92 H HN 0.483 nan 8.280 nan 0.000 0.585 93 P HA -0.040 nan 4.420 nan 0.000 0.270 93 P C -0.357 176.948 177.300 0.008 0.000 1.223 93 P CA -0.427 62.587 63.100 -0.145 0.000 0.785 93 P CB 0.555 32.167 31.700 -0.147 0.000 0.923 94 V N 2.426 122.330 119.914 -0.017 0.000 2.599 94 V HA -0.019 4.151 4.120 0.084 0.000 0.300 94 V C 1.101 177.219 176.094 0.040 0.000 1.034 94 V CA 0.396 62.705 62.300 0.015 0.000 1.115 94 V CB -0.302 31.545 31.823 0.039 0.000 0.934 94 V HN 0.443 nan 8.190 nan 0.000 0.485 95 R N 4.467 124.976 120.500 0.016 0.000 2.254 95 R HA 0.470 4.860 4.340 0.084 0.000 0.318 95 R C -0.272 176.034 176.300 0.009 0.000 1.031 95 R CA -0.263 55.847 56.100 0.016 0.000 0.905 95 R CB 0.763 31.048 30.300 -0.025 0.000 1.050 95 R HN 0.846 nan 8.270 nan 0.000 0.456 96 E N 1.824 122.047 120.200 0.037 0.000 2.410 96 E HA 0.574 4.974 4.350 0.084 0.000 0.269 96 E C -1.382 175.242 176.600 0.041 0.000 0.937 96 E CA -1.271 55.147 56.400 0.031 0.000 0.793 96 E CB 2.082 31.849 29.700 0.110 0.000 1.314 96 E HN 0.645 nan 8.360 nan 0.000 0.447 97 A N 1.191 124.030 122.820 0.032 0.000 2.340 97 A HA 0.545 4.915 4.320 0.084 0.000 0.331 97 A C -0.599 177.061 177.584 0.128 0.000 1.140 97 A CA -0.597 51.483 52.037 0.072 0.000 0.801 97 A CB 1.130 20.157 19.000 0.044 0.000 1.234 97 A HN 0.528 nan 8.150 nan 0.000 0.469 98 R N 1.353 121.946 120.500 0.154 0.000 2.265 98 R HA 0.571 4.961 4.340 0.084 0.000 0.314 98 R C -0.658 175.769 176.300 0.212 0.000 1.053 98 R CA 0.033 56.251 56.100 0.197 0.000 0.931 98 R CB 0.811 31.227 30.300 0.193 0.000 1.024 98 R HN 0.836 nan 8.270 nan 0.000 0.457 99 A N 4.611 127.592 122.820 0.270 0.000 2.343 99 A HA 0.448 4.818 4.320 0.084 0.000 0.308 99 A C -1.052 176.747 177.584 0.358 0.000 1.092 99 A CA -0.671 51.536 52.037 0.283 0.000 0.751 99 A CB 1.753 20.912 19.000 0.265 0.000 1.203 99 A HN 0.492 nan 8.150 nan 0.000 0.452 100 V N 4.355 124.461 119.914 0.321 0.000 2.350 100 V HA 0.381 4.552 4.120 0.084 0.000 0.276 100 V C -0.197 176.082 176.094 0.309 0.000 1.028 100 V CA -0.088 62.427 62.300 0.358 0.000 0.860 100 V CB 0.876 32.932 31.823 0.389 0.000 0.990 100 V HN 0.726 nan 8.190 nan 0.000 0.453 101 I N 4.961 125.722 120.570 0.319 0.000 2.378 101 I HA 0.432 4.652 4.170 0.084 0.000 0.291 101 I C -0.827 175.400 176.117 0.185 0.000 0.992 101 I CA -0.484 60.871 61.300 0.090 0.000 1.154 101 I CB 1.741 39.617 38.000 -0.207 0.000 1.315 101 I HN 0.361 nan 8.210 nan 0.000 0.448 102 F N 5.844 125.778 119.950 -0.025 0.000 2.390 102 F HA 0.312 4.884 4.527 0.076 0.000 0.361 102 F C 0.016 175.872 175.800 0.093 0.000 1.124 102 F CA -0.953 57.153 58.000 0.177 0.000 1.149 102 F CB 0.123 39.240 39.000 0.195 0.000 1.160 102 F HN 0.236 nan 8.300 nan 0.000 0.501 103 F N 2.080 122.321 119.950 0.485 0.000 2.425 103 F HA 0.322 4.897 4.527 0.080 0.000 0.354 103 F C 1.333 177.059 175.800 -0.123 0.000 1.162 103 F CA -0.261 57.849 58.000 0.182 0.000 1.250 103 F CB 0.693 39.764 39.000 0.120 0.000 1.579 103 F HN 0.629 nan 8.300 nan 0.000 0.589 104 G N 0.103 108.932 108.800 0.049 0.000 2.887 104 G HA2 -0.106 3.904 3.960 0.084 0.000 0.211 104 G HA3 -0.106 3.904 3.960 0.084 0.000 0.211 104 G C 0.439 175.245 174.900 -0.157 0.000 1.152 104 G CA -0.002 44.899 45.100 -0.331 0.000 0.769 104 G HN 0.375 nan 8.290 nan 0.000 0.541 105 D N 0.868 121.262 120.400 -0.009 0.000 3.110 105 D HA 0.221 4.911 4.640 0.084 0.000 0.254 105 D C 0.517 176.794 176.300 -0.037 0.000 1.283 105 D CA -0.274 53.719 54.000 -0.012 0.000 0.944 105 D CB -0.361 40.460 40.800 0.034 0.000 1.066 105 D HN 0.557 nan 8.370 nan 0.000 0.496 106 Q N -2.352 117.385 119.800 -0.104 0.000 2.575 106 Q HA 0.495 4.885 4.340 0.084 0.000 0.290 106 Q C 0.651 176.540 176.000 -0.185 0.000 0.963 106 Q CA -0.782 54.952 55.803 -0.115 0.000 0.783 106 Q CB 0.319 29.004 28.738 -0.089 0.000 1.467 106 Q HN -0.147 nan 8.270 nan 0.000 0.402 107 E N 0.788 120.866 120.200 -0.204 0.000 2.085 107 E HA -0.127 4.273 4.350 0.084 0.000 0.194 107 E C 0.186 176.456 176.600 -0.550 0.000 0.994 107 E CA 1.876 58.055 56.400 -0.368 0.000 0.801 107 E CB -0.519 28.929 29.700 -0.421 0.000 0.743 107 E HN 0.559 nan 8.360 nan 0.000 0.453 108 H N 0.144 119.125 119.070 -0.148 0.000 2.632 108 H HA 0.350 4.957 4.556 0.085 0.000 0.258 108 H C -2.559 172.635 175.328 -0.224 0.000 1.278 108 H CA -2.509 53.440 56.048 -0.164 0.000 1.352 108 H CB 0.878 30.571 29.762 -0.115 0.000 1.418 108 H HN 0.199 nan 8.280 nan 0.000 0.513 109 P HA -0.021 nan 4.420 nan 0.000 0.268 109 P C 0.147 177.288 177.300 -0.265 0.000 1.205 109 P CA 0.166 62.903 63.100 -0.605 0.000 0.771 109 P CB 0.814 31.568 31.700 -1.577 0.000 0.858 110 N N 0.265 118.969 118.700 0.007 0.000 2.853 110 N HA 0.485 5.275 4.740 0.084 0.000 0.258 110 N C -1.881 173.938 175.510 0.514 0.000 1.444 110 N CA -0.906 52.323 53.050 0.298 0.000 0.837 110 N CB 0.800 39.392 38.487 0.175 0.000 1.489 110 N HN -0.009 nan 8.380 nan 0.000 0.529 111 V N -0.008 120.138 119.914 0.387 0.000 2.459 111 V HA 0.689 4.859 4.120 0.084 0.000 0.295 111 V C -0.466 175.816 176.094 0.313 0.000 1.029 111 V CA -0.315 62.212 62.300 0.377 0.000 0.874 111 V CB 1.195 33.172 31.823 0.258 0.000 0.985 111 V HN 0.848 nan 8.190 nan 0.000 0.438 112 T N 3.964 118.746 114.554 0.380 0.000 2.893 112 T HA 0.489 4.889 4.350 0.084 0.000 0.293 112 T C -0.761 173.968 174.700 0.047 0.000 1.027 112 T CA -0.695 61.504 62.100 0.165 0.000 0.988 112 T CB 1.861 70.838 68.868 0.182 0.000 1.043 112 T HN 0.694 nan 8.240 nan 0.000 0.461 113 E N 1.495 121.618 120.200 -0.129 0.000 2.191 113 E HA 0.569 4.970 4.350 0.084 0.000 0.274 113 E C -1.217 175.184 176.600 -0.332 0.000 0.948 113 E CA -0.604 55.779 56.400 -0.029 0.000 0.802 113 E CB 1.643 31.424 29.700 0.135 0.000 1.137 113 E HN 0.414 nan 8.360 nan 0.000 0.397 114 F N 0.400 120.483 119.950 0.222 0.000 2.563 114 F HA 0.463 5.040 4.527 0.083 0.000 0.316 114 F C 0.134 176.050 175.800 0.194 0.000 1.076 114 F CA -1.077 57.049 58.000 0.210 0.000 0.921 114 F CB 1.630 40.760 39.000 0.217 0.000 1.209 114 F HN 0.412 nan 8.300 nan 0.000 0.462 115 A N 2.372 125.424 122.820 0.386 0.000 2.302 115 A HA 0.648 5.018 4.320 0.084 0.000 0.295 115 A C -0.871 176.888 177.584 0.292 0.000 1.235 115 A CA -0.452 51.775 52.037 0.315 0.000 0.876 115 A CB -0.011 19.178 19.000 0.315 0.000 1.133 115 A HN 0.547 nan 8.150 nan 0.000 0.533 116 V N 2.815 122.805 119.914 0.126 0.000 2.417 116 V HA 0.828 4.998 4.120 0.084 0.000 0.291 116 V C 0.723 176.587 176.094 -0.383 0.000 1.024 116 V CA 0.491 62.728 62.300 -0.104 0.000 0.861 116 V CB 1.069 32.899 31.823 0.012 0.000 0.985 116 V HN 1.328 nan 8.190 nan 0.000 0.436 117 G N 5.527 113.739 108.800 -0.980 0.000 2.489 117 G HA2 0.636 4.647 3.960 0.084 0.000 0.305 117 G HA3 0.636 4.647 3.960 0.084 0.000 0.305 117 G C -3.412 170.856 174.900 -1.052 0.000 1.311 117 G CA -0.791 43.776 45.100 -0.888 0.000 0.813 117 G HN 0.481 nan 8.290 nan 0.000 0.480 118 P HA 0.531 nan 4.420 nan 0.000 0.279 118 P C -0.753 176.425 177.300 -0.203 0.000 1.282 118 P CA -0.397 62.605 63.100 -0.163 0.000 0.788 118 P CB 1.340 33.029 31.700 -0.017 0.000 1.139 119 L N 0.515 121.656 121.223 -0.137 0.000 2.381 119 L HA 0.455 4.845 4.340 0.084 0.000 0.274 119 L C -1.995 174.803 176.870 -0.121 0.000 0.988 119 L CA -2.224 52.537 54.840 -0.131 0.000 0.824 119 L CB 1.650 43.645 42.059 -0.108 0.000 1.263 119 L HN 0.288 nan 8.230 nan 0.000 0.410 120 P HA 0.241 nan 4.420 nan 0.000 0.274 120 P C 0.279 177.508 177.300 -0.118 0.000 1.256 120 P CA 0.042 63.077 63.100 -0.108 0.000 0.795 120 P CB 0.834 32.480 31.700 -0.089 0.000 1.038 121 G N 0.358 109.084 108.800 -0.124 0.000 2.470 121 G HA2 -0.093 3.917 3.960 0.084 0.000 0.286 121 G HA3 -0.093 3.917 3.960 0.084 0.000 0.286 121 G C -2.508 172.259 174.900 -0.220 0.000 1.115 121 G CA -0.665 44.357 45.100 -0.131 0.000 1.122 121 G HN 0.541 nan 8.290 nan 0.000 0.522 122 P HA 0.362 nan 4.420 nan 0.000 0.271 122 P C 1.050 177.877 177.300 -0.788 0.000 1.216 122 P CA 0.391 63.099 63.100 -0.653 0.000 0.776 122 P CB 1.117 32.306 31.700 -0.853 0.000 0.881 123 C N 0.447 119.339 119.300 -0.680 0.000 4.095 123 C HA 0.431 4.941 4.460 0.084 0.000 0.327 123 C C -0.046 174.944 174.990 0.000 0.000 1.811 123 C CA -0.611 58.219 59.018 -0.312 0.000 1.785 123 C CB -1.533 26.185 27.740 -0.036 0.000 3.120 123 C HN 0.589 nan 8.230 nan 0.000 0.621 124 Y N -1.112 119.119 120.300 -0.115 0.000 2.633 124 Y HA 0.844 5.445 4.550 0.085 0.000 0.339 124 Y C -0.608 175.403 175.900 0.184 0.000 1.045 124 Y CA -2.130 56.033 58.100 0.104 0.000 1.098 124 Y CB 1.151 39.650 38.460 0.064 0.000 1.296 124 Y HN 0.100 nan 8.280 nan 0.000 0.494 125 M N 2.602 122.481 119.600 0.466 0.000 2.134 125 M HA 0.664 5.194 4.480 0.084 0.000 0.249 125 M C -1.498 175.080 176.300 0.464 0.000 0.955 125 M CA -0.347 55.181 55.300 0.379 0.000 1.037 125 M CB 0.974 33.697 32.600 0.204 0.000 2.110 125 M HN 1.127 nan 8.290 nan 0.000 0.449 126 R N 2.899 123.723 120.500 0.540 0.000 2.295 126 R HA 0.894 5.284 4.340 0.084 0.000 0.324 126 R C -0.160 176.401 176.300 0.436 0.000 0.968 126 R CA 0.075 56.435 56.100 0.434 0.000 0.837 126 R CB 1.006 31.485 30.300 0.298 0.000 1.133 126 R HN 0.894 nan 8.270 nan 0.000 0.450 127 A N 2.357 125.379 122.820 0.336 0.000 2.498 127 A HA 0.601 4.971 4.320 0.084 0.000 0.239 127 A C 0.040 177.621 177.584 -0.005 0.000 1.068 127 A CA -0.078 51.948 52.037 -0.018 0.000 0.766 127 A CB 0.136 19.113 19.000 -0.038 0.000 1.003 127 A HN 0.782 nan 8.150 nan 0.000 0.497 128 L N 1.039 122.216 121.223 -0.076 0.000 2.330 128 L HA 0.649 5.039 4.340 0.084 0.000 0.271 128 L C 1.181 178.051 176.870 0.001 0.000 1.013 128 L CA 0.093 54.941 54.840 0.013 0.000 0.816 128 L CB 1.465 43.560 42.059 0.060 0.000 1.287 128 L HN 1.162 nan 8.230 nan 0.000 0.435 129 S N 1.687 117.405 115.700 0.029 0.000 3.310 129 S HA -0.109 4.411 4.470 0.084 0.000 0.381 129 S C -1.546 173.056 174.600 0.004 0.000 0.908 129 S CA -0.389 57.828 58.200 0.028 0.000 1.333 129 S CB -1.890 61.342 63.200 0.052 0.000 0.931 129 S HN 0.429 nan 8.310 nan 0.000 0.570 130 P HA 0.429 nan 4.420 nan 0.000 0.271 130 P C -0.363 176.938 177.300 0.002 0.000 1.218 130 P CA -0.135 62.966 63.100 0.001 0.000 0.780 130 P CB 0.487 32.191 31.700 0.006 0.000 0.901 131 R N 2.191 122.698 120.500 0.013 0.000 2.494 131 R HA 0.325 4.715 4.340 0.084 0.000 0.284 131 R C -2.344 173.991 176.300 0.058 0.000 1.525 131 R CA -1.544 54.567 56.100 0.019 0.000 1.460 131 R CB 0.841 31.136 30.300 -0.010 0.000 1.134 131 R HN 0.404 nan 8.270 nan 0.000 0.592 132 P HA 0.073 nan 4.420 nan 0.000 0.267 132 P C 0.847 178.172 177.300 0.040 0.000 1.205 132 P CA 0.648 63.764 63.100 0.027 0.000 0.765 132 P CB 0.991 32.698 31.700 0.011 0.000 0.828 133 G N 1.854 110.674 108.800 0.033 0.000 2.241 133 G HA2 -0.299 3.711 3.960 0.084 0.000 0.244 133 G HA3 -0.299 3.711 3.960 0.084 0.000 0.244 133 G C -0.092 174.849 174.900 0.069 0.000 0.998 133 G CA -0.158 44.961 45.100 0.031 0.000 0.621 133 G HN 0.607 nan 8.290 nan 0.000 0.519 134 Y N 1.907 122.184 120.300 -0.038 0.000 2.336 134 Y HA 0.558 5.158 4.550 0.083 0.000 0.335 134 Y C 1.351 177.229 175.900 -0.038 0.000 1.046 134 Y CA 0.098 58.175 58.100 -0.038 0.000 1.198 134 Y CB 0.835 39.269 38.460 -0.043 0.000 1.182 134 Y HN 0.207 nan 8.280 nan 0.000 0.502 135 Q N 2.606 122.067 119.800 -0.564 0.000 2.217 135 Q HA 0.146 4.536 4.340 0.084 0.000 0.217 135 Q C 0.491 176.173 176.000 -0.530 0.000 0.844 135 Q CA 0.056 55.605 55.803 -0.423 0.000 0.957 135 Q CB 0.853 29.449 28.738 -0.237 0.000 1.127 135 Q HN 0.582 nan 8.270 nan 0.000 0.503 136 S N -0.062 115.011 115.700 -1.045 0.000 2.601 136 S HA 0.036 4.556 4.470 0.084 0.000 0.244 136 S C 1.394 175.806 174.600 -0.314 0.000 1.001 136 S CA -0.099 57.754 58.200 -0.579 0.000 0.984 136 S CB 0.448 63.394 63.200 -0.424 0.000 0.842 136 S HN 0.292 nan 8.310 nan 0.000 0.474 137 S N 1.413 116.965 115.700 -0.246 0.000 2.372 137 S HA -0.194 4.326 4.470 0.084 0.000 0.227 137 S C 1.523 176.171 174.600 0.080 0.000 1.044 137 S CA 1.286 59.525 58.200 0.065 0.000 1.050 137 S CB -0.330 62.925 63.200 0.091 0.000 0.901 137 S HN 0.846 nan 8.310 nan 0.000 0.447 138 W N 1.500 122.723 121.300 -0.130 0.000 2.379 138 W HA -0.050 4.652 4.660 0.070 0.000 0.307 138 W C 2.508 178.924 176.519 -0.173 0.000 1.200 138 W CA 1.004 58.255 57.345 -0.158 0.000 1.297 138 W CB -0.588 28.802 29.460 -0.116 0.000 1.140 138 W HN 0.485 nan 8.180 nan 0.000 0.507 139 A N 0.546 123.333 122.820 -0.054 0.000 1.972 139 A HA -0.250 4.120 4.320 0.084 0.000 0.219 139 A C 1.951 179.444 177.584 -0.153 0.000 1.169 139 A CA 2.307 54.255 52.037 -0.147 0.000 0.635 139 A CB -1.204 17.759 19.000 -0.063 0.000 0.810 139 A HN 0.370 nan 8.150 nan 0.000 0.446 140 S N 0.201 115.865 115.700 -0.061 0.000 2.515 140 S HA -0.070 4.450 4.470 0.084 0.000 0.231 140 S C 1.095 175.685 174.600 -0.017 0.000 0.987 140 S CA 0.216 58.442 58.200 0.043 0.000 0.936 140 S CB -0.498 62.817 63.200 0.192 0.000 0.766 140 S HN 0.752 nan 8.310 nan 0.000 0.528 141 R N 1.284 121.626 120.500 -0.262 0.000 2.594 141 R HA 0.413 4.803 4.340 0.084 0.000 0.272 141 R C -2.953 173.094 176.300 -0.422 0.000 1.074 141 R CA -1.550 54.294 56.100 -0.427 0.000 1.105 141 R CB -0.703 28.908 30.300 -1.147 0.000 1.008 141 R HN 0.050 nan 8.270 nan 0.000 0.472 142 P HA -0.063 nan 4.420 nan 0.000 0.269 142 P C -0.072 177.036 177.300 -0.320 0.000 1.217 142 P CA -0.060 62.846 63.100 -0.323 0.000 0.783 142 P CB 0.429 32.053 31.700 -0.127 0.000 0.898 143 I N 0.918 121.297 120.570 -0.318 0.000 2.945 143 I HA 0.226 4.446 4.170 0.084 0.000 0.292 143 I C 0.272 176.396 176.117 0.011 0.000 1.093 143 I CA 0.573 61.733 61.300 -0.233 0.000 1.336 143 I CB 0.623 38.402 38.000 -0.367 0.000 1.435 143 I HN 0.465 nan 8.210 nan 0.000 0.593 144 S N 2.372 118.099 115.700 0.045 0.000 2.627 144 S HA 0.355 4.876 4.470 0.084 0.000 0.283 144 S C 0.476 175.253 174.600 0.295 0.000 1.127 144 S CA -0.371 57.991 58.200 0.270 0.000 0.863 144 S CB 1.529 64.917 63.200 0.312 0.000 1.121 144 S HN 0.644 nan 8.310 nan 0.000 0.479 145 T N 1.661 116.445 114.554 0.382 0.000 2.699 145 T HA -0.106 4.294 4.350 0.084 0.000 0.268 145 T C 2.101 177.011 174.700 0.349 0.000 1.036 145 T CA 2.055 64.405 62.100 0.416 0.000 1.147 145 T CB -0.910 68.142 68.868 0.306 0.000 0.862 145 T HN 0.887 nan 8.240 nan 0.000 0.446 146 A N 1.001 123.983 122.820 0.270 0.000 1.930 146 A HA -0.104 4.266 4.320 0.084 0.000 0.217 146 A C 2.185 179.931 177.584 0.269 0.000 1.175 146 A CA 1.843 54.024 52.037 0.241 0.000 0.627 146 A CB -0.536 18.589 19.000 0.208 0.000 0.815 146 A HN 0.615 nan 8.150 nan 0.000 0.443 147 E N -1.498 118.853 120.200 0.253 0.000 2.072 147 E HA -0.195 4.205 4.350 0.084 0.000 0.191 147 E C 1.675 178.444 176.600 0.281 0.000 0.985 147 E CA 1.159 57.717 56.400 0.264 0.000 0.801 147 E CB -0.239 29.526 29.700 0.109 0.000 0.750 147 E HN 0.685 nan 8.360 nan 0.000 0.452 148 Y N 0.336 120.832 120.300 0.326 0.000 2.145 148 Y HA -0.156 4.444 4.550 0.083 0.000 0.286 148 Y C 2.328 178.502 175.900 0.457 0.000 1.145 148 Y CA 1.166 59.501 58.100 0.391 0.000 1.148 148 Y CB -0.854 37.826 38.460 0.366 0.000 0.981 148 Y HN 0.157 nan 8.280 nan 0.000 0.507 149 A N -0.149 122.984 122.820 0.522 0.000 1.940 149 A HA -0.183 4.187 4.320 0.084 0.000 0.219 149 A C 2.264 180.078 177.584 0.383 0.000 1.176 149 A CA 1.818 54.096 52.037 0.401 0.000 0.631 149 A CB -1.093 18.058 19.000 0.252 0.000 0.814 149 A HN 0.489 nan 8.150 nan 0.000 0.446 150 L N -1.035 120.403 121.223 0.359 0.000 2.131 150 L HA -0.057 4.333 4.340 0.084 0.000 0.206 150 L C 2.472 179.605 176.870 0.437 0.000 1.087 150 L CA 0.563 55.586 54.840 0.306 0.000 0.767 150 L CB -0.379 41.776 42.059 0.161 0.000 0.917 150 L HN 0.345 nan 8.230 nan 0.000 0.441 151 L N -1.650 119.863 121.223 0.484 0.000 2.046 151 L HA -0.256 4.134 4.340 0.084 0.000 0.208 151 L C 2.552 179.502 176.870 0.133 0.000 1.077 151 L CA 1.420 56.405 54.840 0.242 0.000 0.747 151 L CB -0.541 41.513 42.059 -0.008 0.000 0.896 151 L HN 0.171 nan 8.230 nan 0.000 0.432 152 Y N -0.740 119.760 120.300 0.333 0.000 2.181 152 Y HA -0.328 4.270 4.550 0.081 0.000 0.288 152 Y C 2.839 178.817 175.900 0.129 0.000 1.146 152 Y CA 2.047 60.310 58.100 0.271 0.000 1.164 152 Y CB -0.504 38.134 38.460 0.296 0.000 0.982 152 Y HN 0.238 nan 8.280 nan 0.000 0.515 153 H N -0.699 118.511 119.070 0.233 0.000 2.352 153 H HA -0.145 4.465 4.556 0.090 0.000 0.299 153 H C 2.080 177.439 175.328 0.052 0.000 1.097 153 H CA 2.368 58.486 56.048 0.116 0.000 1.311 153 H CB -0.386 29.425 29.762 0.081 0.000 1.377 153 H HN 0.182 nan 8.280 nan 0.000 0.504 154 T N 0.959 115.514 114.554 0.001 0.000 2.746 154 T HA -0.117 4.283 4.350 0.084 0.000 0.267 154 T C 2.265 176.871 174.700 -0.155 0.000 1.039 154 T CA 1.459 63.520 62.100 -0.066 0.000 1.142 154 T CB -0.298 68.649 68.868 0.132 0.000 0.866 154 T HN 0.246 nan 8.240 nan 0.000 0.444 155 L N 0.556 121.650 121.223 -0.215 0.000 2.056 155 L HA -0.121 4.270 4.340 0.084 0.000 0.207 155 L C 2.888 179.522 176.870 -0.394 0.000 1.078 155 L CA 1.353 55.969 54.840 -0.373 0.000 0.749 155 L CB -0.574 41.105 42.059 -0.634 0.000 0.901 155 L HN 0.330 nan 8.230 nan 0.000 0.433 156 Q N -0.426 119.192 119.800 -0.303 0.000 2.050 156 Q HA -0.202 4.188 4.340 0.084 0.000 0.202 156 Q C 2.207 178.153 176.000 -0.089 0.000 0.980 156 Q CA 1.344 57.060 55.803 -0.145 0.000 0.840 156 Q CB 0.033 28.778 28.738 0.011 0.000 0.898 156 Q HN 0.414 nan 8.270 nan 0.000 0.424 157 E N 0.348 120.439 120.200 -0.182 0.000 2.028 157 E HA -0.122 4.278 4.350 0.084 0.000 0.190 157 E C 1.992 178.543 176.600 -0.082 0.000 0.984 157 E CA 1.149 57.460 56.400 -0.148 0.000 0.800 157 E CB -0.267 29.281 29.700 -0.254 0.000 0.758 157 E HN 0.333 nan 8.360 nan 0.000 0.448 158 A N 1.258 124.022 122.820 -0.093 0.000 1.972 158 A HA -0.127 4.244 4.320 0.084 0.000 0.219 158 A C 2.288 179.861 177.584 -0.018 0.000 1.169 158 A CA 2.126 54.132 52.037 -0.052 0.000 0.635 158 A CB -0.737 18.230 19.000 -0.055 0.000 0.810 158 A HN 0.354 nan 8.150 nan 0.000 0.446 159 T N -3.144 111.419 114.554 0.015 0.000 3.169 159 T HA 0.164 4.564 4.350 0.084 0.000 0.250 159 T C 1.374 176.148 174.700 0.124 0.000 1.111 159 T CA 0.597 62.766 62.100 0.115 0.000 1.010 159 T CB -0.094 69.008 68.868 0.390 0.000 0.984 159 T HN 0.467 nan 8.240 nan 0.000 0.537 160 K N 1.677 122.129 120.400 0.086 0.000 2.113 160 K HA -0.065 4.305 4.320 0.084 0.000 0.208 160 K C -0.752 175.880 176.600 0.054 0.000 1.047 160 K CA 1.645 57.987 56.287 0.091 0.000 0.928 160 K CB -0.970 31.552 32.500 0.037 0.000 0.716 160 K HN 0.374 nan 8.250 nan 0.000 0.446 161 P HA -0.117 nan 4.420 nan 0.000 0.222 161 P C 0.656 177.901 177.300 -0.091 0.000 1.147 161 P CA 1.031 64.111 63.100 -0.033 0.000 0.790 161 P CB 0.125 31.792 31.700 -0.056 0.000 0.780 162 L N -2.377 118.725 121.223 -0.202 0.000 2.611 162 L HA 0.052 4.442 4.340 0.084 0.000 0.229 162 L C 2.144 178.714 176.870 -0.500 0.000 1.137 162 L CA 0.097 54.646 54.840 -0.485 0.000 0.901 162 L CB -0.734 40.795 42.059 -0.882 0.000 1.098 162 L HN 0.050 nan 8.230 nan 0.000 0.456 163 H N 1.129 120.096 119.070 -0.172 0.000 2.319 163 H HA -0.244 4.362 4.556 0.084 0.000 0.299 163 H C 2.350 177.708 175.328 0.051 0.000 1.092 163 H CA 2.729 58.805 56.048 0.047 0.000 1.302 163 H CB 0.287 30.114 29.762 0.107 0.000 1.373 163 H HN 0.381 nan 8.280 nan 0.000 0.497 164 Q N 0.222 120.053 119.800 0.053 0.000 2.079 164 Q HA -0.117 4.273 4.340 0.084 0.000 0.200 164 Q C 2.400 178.378 176.000 -0.037 0.000 0.974 164 Q CA 1.472 57.301 55.803 0.043 0.000 0.840 164 Q CB -1.421 27.406 28.738 0.149 0.000 0.898 164 Q HN 0.707 nan 8.270 nan 0.000 0.430 165 F N 0.472 120.223 119.950 -0.333 0.000 2.091 165 F HA -0.146 4.431 4.527 0.083 0.000 0.299 165 F C 1.871 177.417 175.800 -0.423 0.000 1.103 165 F CA 1.852 59.418 58.000 -0.723 0.000 1.228 165 F CB -0.210 38.229 39.000 -0.935 0.000 0.984 165 F HN 0.257 nan 8.300 nan 0.000 0.477 166 F N 0.617 120.419 119.950 -0.247 0.000 2.102 166 F HA -0.176 4.401 4.527 0.083 0.000 0.298 166 F C 2.332 177.954 175.800 -0.297 0.000 1.105 166 F CA 1.280 59.108 58.000 -0.288 0.000 1.239 166 F CB -1.431 37.491 39.000 -0.130 0.000 0.991 166 F HN -0.013 nan 8.300 nan 0.000 0.474 167 L N -0.319 120.861 121.223 -0.072 0.000 2.017 167 L HA -0.262 4.128 4.340 0.084 0.000 0.208 167 L C 2.219 179.047 176.870 -0.071 0.000 1.073 167 L CA 1.435 56.228 54.840 -0.078 0.000 0.745 167 L CB -0.739 41.258 42.059 -0.103 0.000 0.894 167 L HN 0.121 nan 8.230 nan 0.000 0.432 168 N N -0.590 118.045 118.700 -0.108 0.000 2.188 168 N HA -0.137 4.654 4.740 0.084 0.000 0.184 168 N C 1.901 177.328 175.510 -0.139 0.000 1.018 168 N CA 1.920 54.927 53.050 -0.072 0.000 0.858 168 N CB -0.543 37.963 38.487 0.032 0.000 0.989 168 N HN 0.448 nan 8.380 nan 0.000 0.426 169 T N -3.389 110.968 114.554 -0.329 0.000 3.009 169 T HA 0.012 4.412 4.350 0.084 0.000 0.258 169 T C 1.789 176.377 174.700 -0.186 0.000 1.063 169 T CA 1.520 63.418 62.100 -0.338 0.000 1.139 169 T CB -0.279 68.151 68.868 -0.729 0.000 0.890 169 T HN 0.333 nan 8.240 nan 0.000 0.471 170 T N -3.292 111.176 114.554 -0.144 0.000 2.966 170 T HA 0.488 4.889 4.350 0.084 0.000 0.254 170 T C 1.944 176.687 174.700 0.073 0.000 0.961 170 T CA 0.831 62.884 62.100 -0.078 0.000 0.915 170 T CB -0.134 68.654 68.868 -0.133 0.000 1.186 170 T HN 0.906 nan 8.240 nan 0.000 0.505 171 G N 1.165 110.023 108.800 0.096 0.000 2.189 171 G HA2 -0.197 3.813 3.960 0.084 0.000 0.267 171 G HA3 -0.197 3.813 3.960 0.084 0.000 0.267 171 G C -0.162 174.893 174.900 0.259 0.000 0.975 171 G CA 0.456 45.659 45.100 0.171 0.000 0.644 171 G HN 0.545 nan 8.290 nan 0.000 0.537 172 F N 0.582 120.461 119.950 -0.118 0.000 2.618 172 F HA 0.844 5.421 4.527 0.083 0.000 0.332 172 F C 0.704 176.370 175.800 -0.223 0.000 1.061 172 F CA -0.730 57.174 58.000 -0.160 0.000 0.974 172 F CB 2.198 41.080 39.000 -0.197 0.000 1.310 172 F HN 0.559 nan 8.300 nan 0.000 0.491 173 S N -0.640 114.992 115.700 -0.113 0.000 2.703 173 S HA 0.489 5.009 4.470 0.084 0.000 0.273 173 S C -0.665 173.777 174.600 -0.263 0.000 1.178 173 S CA -0.613 57.473 58.200 -0.191 0.000 0.838 173 S CB 0.778 63.988 63.200 0.016 0.000 1.178 173 S HN 0.244 nan 8.310 nan 0.000 0.494 174 F N 1.050 121.055 119.950 0.090 0.000 2.727 174 F HA 0.435 5.013 4.527 0.085 0.000 0.302 174 F C 1.068 176.933 175.800 0.109 0.000 1.097 174 F CA -0.005 58.058 58.000 0.105 0.000 1.330 174 F CB 0.307 39.402 39.000 0.158 0.000 1.084 174 F HN 0.411 nan 8.300 nan 0.000 0.578 175 Q N 0.333 120.313 119.800 0.299 0.000 2.321 175 Q HA 0.185 4.575 4.340 0.084 0.000 0.270 175 Q C -0.777 175.279 176.000 0.094 0.000 1.032 175 Q CA -0.707 55.204 55.803 0.180 0.000 0.784 175 Q CB 1.754 30.581 28.738 0.148 0.000 1.264 175 Q HN 0.136 nan 8.270 nan 0.000 0.448 176 D N 1.123 121.493 120.400 -0.050 0.000 2.686 176 D HA -0.193 4.497 4.640 0.084 0.000 0.235 176 D C 0.757 176.908 176.300 -0.249 0.000 1.160 176 D CA 0.968 54.867 54.000 -0.169 0.000 0.645 176 D CB -1.145 39.683 40.800 0.047 0.000 1.039 176 D HN 0.768 nan 8.370 nan 0.000 0.423 177 c N -3.004 115.379 118.600 -0.362 0.000 2.558 177 c HA 0.096 4.716 4.570 0.084 0.000 0.288 177 c C 1.781 175.749 174.090 -0.204 0.000 1.338 177 c CA 0.428 56.632 56.329 -0.209 0.000 1.760 177 c CB 0.165 42.585 42.510 -0.151 0.000 2.159 177 c HN 0.654 nan 8.230 nan 0.000 0.518 178 H N 2.559 121.591 119.070 -0.065 0.000 1.452 178 H HA -0.222 4.384 4.556 0.084 0.000 0.090 178 H C 0.861 176.130 175.328 -0.099 0.000 0.618 178 H CA 2.499 58.505 56.048 -0.071 0.000 1.901 178 H CB -1.957 27.766 29.762 -0.065 0.000 2.257 178 H HN 0.648 nan 8.280 nan 0.000 0.961 179 D N 2.770 123.172 120.400 0.003 0.000 2.328 179 D HA 0.050 4.740 4.640 0.084 0.000 0.226 179 D C 0.576 176.701 176.300 -0.293 0.000 1.066 179 D CA 0.395 54.334 54.000 -0.101 0.000 0.861 179 D CB -0.001 40.746 40.800 -0.089 0.000 0.912 179 D HN 0.354 nan 8.370 nan 0.000 0.521 180 R N 0.007 120.237 120.500 -0.449 0.000 2.782 180 R HA 0.327 4.717 4.340 0.084 0.000 0.293 180 R C -1.027 174.846 176.300 -0.712 0.000 1.333 180 R CA -0.428 54.973 56.100 -1.166 0.000 1.479 180 R CB 0.540 30.158 30.300 -1.136 0.000 1.306 180 R HN 0.042 nan 8.270 nan 0.000 0.654 181 c N 1.564 120.041 118.600 -0.204 0.000 2.341 181 c HA 0.456 5.076 4.570 0.084 0.000 0.338 181 c C 0.781 174.929 174.090 0.096 0.000 1.257 181 c CA -0.825 55.472 56.329 -0.054 0.000 1.883 181 c CB 0.585 43.060 42.510 -0.057 0.000 2.334 181 c HN 0.552 nan 8.230 nan 0.000 0.524 182 L N 2.883 123.961 121.223 -0.241 0.000 2.452 182 L HA 0.538 4.928 4.340 0.084 0.000 0.267 182 L C 0.626 177.371 176.870 -0.207 0.000 1.188 182 L CA 0.234 54.815 54.840 -0.431 0.000 0.821 182 L CB 0.278 41.615 42.059 -1.203 0.000 1.102 182 L HN 0.866 nan 8.230 nan 0.000 0.470 183 A N 2.075 124.895 122.820 -0.001 0.000 2.486 183 A HA 0.880 5.251 4.320 0.084 0.000 0.289 183 A C -1.199 176.574 177.584 0.316 0.000 1.176 183 A CA -0.471 51.673 52.037 0.178 0.000 0.757 183 A CB 1.679 20.613 19.000 -0.110 0.000 1.337 183 A HN 0.584 nan 8.150 nan 0.000 0.423 184 F N -1.444 118.626 119.950 0.201 0.000 2.576 184 F HA 0.788 5.364 4.527 0.081 0.000 0.313 184 F C -0.493 175.420 175.800 0.188 0.000 1.078 184 F CA -0.579 57.512 58.000 0.151 0.000 0.921 184 F CB 1.789 40.809 39.000 0.034 0.000 1.232 184 F HN 0.318 nan 8.300 nan 0.000 0.459 185 T N 3.086 117.900 114.554 0.433 0.000 2.756 185 T HA 0.253 4.653 4.350 0.084 0.000 0.290 185 T C -0.801 174.159 174.700 0.433 0.000 0.985 185 T CA -0.595 61.716 62.100 0.352 0.000 0.955 185 T CB 0.518 69.662 68.868 0.460 0.000 0.930 185 T HN 0.723 nan 8.240 nan 0.000 0.451 186 D N 2.513 123.160 120.400 0.412 0.000 2.329 186 D HA 0.378 5.068 4.640 0.084 0.000 0.246 186 D C -0.337 176.205 176.300 0.403 0.000 1.111 186 D CA -0.492 53.782 54.000 0.456 0.000 0.941 186 D CB 1.106 42.242 40.800 0.560 0.000 1.169 186 D HN 0.172 nan 8.370 nan 0.000 0.441 187 V N -0.233 119.905 119.914 0.374 0.000 2.769 187 V HA 0.733 4.903 4.120 0.084 0.000 0.312 187 V C -0.162 176.104 176.094 0.287 0.000 1.061 187 V CA -0.664 61.799 62.300 0.273 0.000 0.931 187 V CB 1.442 33.378 31.823 0.189 0.000 1.010 187 V HN 1.018 nan 8.190 nan 0.000 0.433 188 A N 5.938 128.878 122.820 0.199 0.000 2.498 188 A HA 1.006 5.376 4.320 0.084 0.000 0.298 188 A C -2.986 174.624 177.584 0.044 0.000 1.075 188 A CA -1.750 50.419 52.037 0.219 0.000 0.714 188 A CB 2.282 21.539 19.000 0.428 0.000 1.299 188 A HN 0.556 nan 8.150 nan 0.000 0.407 189 P HA 0.351 nan 4.420 nan 0.000 0.277 189 P C -0.896 176.510 177.300 0.176 0.000 1.271 189 P CA -0.305 62.836 63.100 0.068 0.000 0.795 189 P CB 0.621 32.238 31.700 -0.138 0.000 1.101 190 R N 0.420 121.047 120.500 0.212 0.000 3.057 190 R HA 0.618 5.008 4.340 0.084 0.000 0.291 190 R C 0.470 176.864 176.300 0.156 0.000 1.394 190 R CA -0.309 55.885 56.100 0.156 0.000 1.630 190 R CB 0.216 30.548 30.300 0.055 0.000 1.268 190 R HN 0.858 nan 8.270 nan 0.000 0.621 191 G N -0.450 108.483 108.800 0.221 0.000 2.278 191 G HA2 -0.131 3.879 3.960 0.084 0.000 0.265 191 G HA3 -0.131 3.879 3.960 0.084 0.000 0.265 191 G C -0.108 174.883 174.900 0.151 0.000 1.329 191 G CA -0.300 44.861 45.100 0.103 0.000 1.017 191 G HN 0.215 nan 8.290 nan 0.000 0.472 192 V N -3.240 116.570 119.914 -0.172 0.000 3.432 192 V HA 0.798 4.968 4.120 0.084 0.000 0.298 192 V C 0.653 176.187 176.094 -0.934 0.000 1.464 192 V CA 1.310 63.457 62.300 -0.255 0.000 1.046 192 V CB 0.028 31.771 31.823 -0.134 0.000 0.887 192 V HN 2.516 nan 8.190 nan 0.000 0.441 193 A N -0.397 121.554 122.820 -1.450 0.000 2.612 193 A HA 0.708 5.078 4.320 0.084 0.000 0.293 193 A C -0.306 176.566 177.584 -1.188 0.000 1.075 193 A CA 0.102 51.222 52.037 -1.527 0.000 0.680 193 A CB 1.087 19.671 19.000 -0.694 0.000 1.279 193 A HN 0.430 nan 8.150 nan 0.000 0.411 194 S N -0.316 115.020 115.700 -0.608 0.000 2.544 194 S HA 0.418 4.939 4.470 0.084 0.000 0.290 194 S C 1.438 175.963 174.600 -0.124 0.000 1.276 194 S CA 1.903 60.073 58.200 -0.051 0.000 1.075 194 S CB -0.118 63.133 63.200 0.085 0.000 0.849 194 S HN 2.612 nan 8.310 nan 0.000 0.494 195 G N 3.722 112.492 108.800 -0.051 0.000 2.232 195 G HA2 -0.180 3.830 3.960 0.084 0.000 0.226 195 G HA3 -0.180 3.830 3.960 0.084 0.000 0.226 195 G C -0.047 174.794 174.900 -0.099 0.000 0.996 195 G CA -0.005 45.039 45.100 -0.093 0.000 0.626 195 G HN 0.714 nan 8.290 nan 0.000 0.509 196 Q N -0.208 119.518 119.800 -0.124 0.000 2.299 196 Q HA 0.623 5.013 4.340 0.084 0.000 0.246 196 Q C 0.291 176.216 176.000 -0.125 0.000 0.935 196 Q CA -0.223 55.498 55.803 -0.137 0.000 0.887 196 Q CB 1.134 29.765 28.738 -0.178 0.000 1.223 196 Q HN 0.288 nan 8.270 nan 0.000 0.439 197 R N 1.650 122.020 120.500 -0.216 0.000 2.644 197 R HA 0.244 4.635 4.340 0.084 0.000 0.271 197 R C -1.155 174.872 176.300 -0.455 0.000 1.687 197 R CA -0.163 55.709 56.100 -0.381 0.000 1.655 197 R CB 0.447 30.413 30.300 -0.557 0.000 1.285 197 R HN 0.496 nan 8.270 nan 0.000 0.643 198 R N 0.879 121.241 120.500 -0.229 0.000 2.422 198 R HA 0.369 4.760 4.340 0.084 0.000 0.307 198 R C -1.049 175.190 176.300 -0.101 0.000 1.004 198 R CA -0.486 55.508 56.100 -0.177 0.000 0.882 198 R CB 2.288 32.486 30.300 -0.169 0.000 1.164 198 R HN 0.173 nan 8.270 nan 0.000 0.489 199 S N 2.066 117.733 115.700 -0.055 0.000 2.449 199 S HA 0.325 4.845 4.470 0.084 0.000 0.310 199 S C -0.897 173.648 174.600 -0.092 0.000 1.096 199 S CA -0.777 57.439 58.200 0.026 0.000 1.095 199 S CB 0.801 64.095 63.200 0.157 0.000 1.007 199 S HN 0.377 nan 8.310 nan 0.000 0.474 200 W N 3.505 124.841 121.300 0.060 0.000 2.266 200 W HA 0.464 5.175 4.660 0.085 0.000 0.317 200 W C -0.432 176.127 176.519 0.067 0.000 1.310 200 W CA -0.483 56.892 57.345 0.051 0.000 1.207 200 W CB 0.402 29.884 29.460 0.037 0.000 1.199 200 W HN 0.345 nan 8.180 nan 0.000 0.544 201 L N 5.754 127.174 121.223 0.329 0.000 2.333 201 L HA 0.495 4.885 4.340 0.084 0.000 0.280 201 L C -0.318 176.744 176.870 0.321 0.000 1.004 201 L CA -1.056 53.934 54.840 0.249 0.000 0.820 201 L CB 1.186 43.214 42.059 -0.052 0.000 1.247 201 L HN 0.253 nan 8.230 nan 0.000 0.416 202 I N 4.403 125.174 120.570 0.336 0.000 2.312 202 I HA 0.214 4.434 4.170 0.084 0.000 0.291 202 I C -0.030 176.285 176.117 0.329 0.000 1.031 202 I CA -0.500 60.974 61.300 0.291 0.000 1.293 202 I CB 1.019 39.163 38.000 0.240 0.000 1.403 202 I HN 0.336 nan 8.210 nan 0.000 0.484 203 I N 6.649 127.399 120.570 0.300 0.000 2.441 203 I HA 0.267 4.487 4.170 0.084 0.000 0.287 203 I C 0.186 176.424 176.117 0.201 0.000 1.049 203 I CA -0.095 61.373 61.300 0.280 0.000 1.381 203 I CB 0.694 38.854 38.000 0.266 0.000 1.409 203 I HN 0.655 nan 8.210 nan 0.000 0.523 204 Q N 4.782 124.683 119.800 0.169 0.000 2.451 204 Q HA 0.522 4.913 4.340 0.084 0.000 0.281 204 Q C -0.795 175.215 176.000 0.016 0.000 1.099 204 Q CA -0.957 54.929 55.803 0.139 0.000 0.806 204 Q CB 2.672 31.557 28.738 0.245 0.000 1.419 204 Q HN 0.410 nan 8.270 nan 0.000 0.427 205 R N 0.941 121.404 120.500 -0.063 0.000 2.298 205 R HA 0.131 4.521 4.340 0.084 0.000 0.310 205 R C -0.958 175.311 176.300 -0.051 0.000 1.068 205 R CA -0.299 55.642 56.100 -0.265 0.000 0.957 205 R CB 0.440 30.301 30.300 -0.732 0.000 1.003 205 R HN 0.496 nan 8.270 nan 0.000 0.454 206 Y N 5.501 125.770 120.300 -0.052 0.000 2.568 206 Y HA 0.179 4.781 4.550 0.086 0.000 0.338 206 Y C -0.182 175.691 175.900 -0.045 0.000 1.245 206 Y CA -0.570 57.461 58.100 -0.115 0.000 1.667 206 Y CB -0.270 38.079 38.460 -0.186 0.000 1.568 206 Y HN 0.341 nan 8.280 nan 0.000 0.471 207 V N 1.249 120.967 119.914 -0.327 0.000 3.182 207 V HA 0.502 4.672 4.120 0.084 0.000 0.311 207 V C -0.049 175.805 176.094 -0.401 0.000 1.221 207 V CA -1.523 60.543 62.300 -0.390 0.000 1.060 207 V CB 1.399 32.965 31.823 -0.428 0.000 1.164 207 V HN 0.461 nan 8.190 nan 0.000 0.466 208 E N 0.732 120.744 120.200 -0.314 0.000 2.585 208 E HA 0.316 4.716 4.350 0.084 0.000 0.252 208 E C 0.930 177.397 176.600 -0.221 0.000 0.981 208 E CA 0.996 57.264 56.400 -0.220 0.000 0.943 208 E CB -0.092 29.525 29.700 -0.138 0.000 0.923 208 E HN 1.871 nan 8.360 nan 0.000 0.486 209 G N 4.637 113.274 108.800 -0.271 0.000 2.295 209 G HA2 -0.326 3.684 3.960 0.084 0.000 0.287 209 G HA3 -0.326 3.684 3.960 0.084 0.000 0.287 209 G C 0.221 174.795 174.900 -0.543 0.000 1.055 209 G CA 0.635 45.423 45.100 -0.520 0.000 0.922 209 G HN 0.844 nan 8.290 nan 0.000 0.503 210 Y N -2.418 117.538 120.300 -0.573 0.000 2.365 210 Y HA 0.024 4.624 4.550 0.084 0.000 0.287 210 Y C 2.216 177.983 175.900 -0.222 0.000 1.162 210 Y CA 1.280 59.159 58.100 -0.370 0.000 1.260 210 Y CB -0.780 37.466 38.460 -0.356 0.000 0.976 210 Y HN 0.302 nan 8.280 nan 0.000 0.548 211 F N 0.894 120.475 119.950 -0.615 0.000 2.192 211 F HA -0.179 4.398 4.527 0.083 0.000 0.301 211 F C 1.658 177.417 175.800 -0.068 0.000 1.079 211 F CA 1.065 58.858 58.000 -0.346 0.000 1.303 211 F CB -0.472 38.199 39.000 -0.550 0.000 1.024 211 F HN 0.096 nan 8.300 nan 0.000 0.494 212 L N -0.354 120.925 121.223 0.093 0.000 2.685 212 L HA 0.094 4.484 4.340 0.084 0.000 0.233 212 L C 0.154 176.986 176.870 -0.062 0.000 1.173 212 L CA 0.161 55.049 54.840 0.079 0.000 0.961 212 L CB -0.408 41.708 42.059 0.095 0.000 1.217 212 L HN 0.250 nan 8.230 nan 0.000 0.478 213 H N 0.923 120.069 119.070 0.126 0.000 2.500 213 H HA 0.260 4.866 4.556 0.084 0.000 0.243 213 H C -2.307 173.109 175.328 0.147 0.000 1.318 213 H CA -1.539 54.586 56.048 0.128 0.000 1.077 213 H CB 0.527 30.284 29.762 -0.009 0.000 1.748 213 H HN 0.095 nan 8.280 nan 0.000 0.556 214 P HA -0.006 nan 4.420 nan 0.000 0.271 214 P C 1.196 178.672 177.300 0.293 0.000 1.218 214 P CA 0.059 63.331 63.100 0.288 0.000 0.780 214 P CB 1.431 33.330 31.700 0.332 0.000 0.901 215 T N -1.872 112.761 114.554 0.131 0.000 3.057 215 T HA 0.261 4.661 4.350 0.084 0.000 0.254 215 T C 1.305 175.753 174.700 -0.421 0.000 1.094 215 T CA 0.805 62.893 62.100 -0.020 0.000 1.088 215 T CB -0.610 68.251 68.868 -0.012 0.000 0.934 215 T HN 0.637 nan 8.240 nan 0.000 0.497 216 G N 0.643 109.094 108.800 -0.582 0.000 2.201 216 G HA2 -0.133 3.877 3.960 0.084 0.000 0.212 216 G HA3 -0.133 3.877 3.960 0.084 0.000 0.212 216 G C -0.309 174.496 174.900 -0.158 0.000 0.994 216 G CA -0.077 44.316 45.100 -1.179 0.000 0.644 216 G HN 0.689 nan 8.290 nan 0.000 0.508 217 L N 1.597 122.953 121.223 0.220 0.000 2.309 217 L HA 0.837 5.227 4.340 0.084 0.000 0.282 217 L C -0.158 176.955 176.870 0.405 0.000 1.036 217 L CA -0.686 54.412 54.840 0.429 0.000 0.806 217 L CB 1.188 43.521 42.059 0.456 0.000 1.220 217 L HN 0.248 nan 8.230 nan 0.000 0.429 218 E N 5.261 125.760 120.200 0.498 0.000 2.293 218 E HA 0.603 5.004 4.350 0.084 0.000 0.270 218 E C -1.545 175.428 176.600 0.622 0.000 0.879 218 E CA -0.699 55.989 56.400 0.481 0.000 0.756 218 E CB 2.416 32.291 29.700 0.292 0.000 1.208 218 E HN 0.479 nan 8.360 nan 0.000 0.428 219 L N 2.551 124.083 121.223 0.515 0.000 2.385 219 L HA 0.446 4.836 4.340 0.084 0.000 0.273 219 L C -1.135 175.687 176.870 -0.079 0.000 0.990 219 L CA -1.082 53.918 54.840 0.266 0.000 0.821 219 L CB 1.549 43.673 42.059 0.110 0.000 1.279 219 L HN 0.300 nan 8.230 nan 0.000 0.412 220 L N 4.275 125.152 121.223 -0.576 0.000 2.257 220 L HA 0.533 4.923 4.340 0.084 0.000 0.290 220 L C -0.634 175.973 176.870 -0.437 0.000 1.044 220 L CA -0.079 54.210 54.840 -0.918 0.000 0.810 220 L CB 1.425 42.598 42.059 -1.477 0.000 1.193 220 L HN 0.296 nan 8.230 nan 0.000 0.425 221 V N 4.468 124.183 119.914 -0.332 0.000 2.417 221 V HA 0.330 4.500 4.120 0.084 0.000 0.291 221 V C -0.406 175.596 176.094 -0.154 0.000 1.024 221 V CA -0.797 61.373 62.300 -0.217 0.000 0.861 221 V CB 1.538 33.208 31.823 -0.256 0.000 0.985 221 V HN 0.664 nan 8.190 nan 0.000 0.436 222 D N 3.702 124.016 120.400 -0.143 0.000 2.339 222 D HA 0.190 4.880 4.640 0.084 0.000 0.241 222 D C 0.428 176.563 176.300 -0.275 0.000 1.183 222 D CA -0.146 53.754 54.000 -0.167 0.000 0.859 222 D CB 0.508 41.242 40.800 -0.110 0.000 1.067 222 D HN 0.861 nan 8.370 nan 0.000 0.484 223 H N 0.805 119.473 119.070 -0.670 0.000 2.505 223 H HA 0.447 5.052 4.556 0.081 0.000 0.260 223 H C 1.267 176.135 175.328 -0.766 0.000 1.168 223 H CA -0.720 54.428 56.048 -1.500 0.000 0.945 223 H CB 0.696 29.186 29.762 -2.120 0.000 1.800 223 H HN 0.318 nan 8.280 nan 0.000 0.586 224 G N 0.332 108.908 108.800 -0.374 0.000 2.403 224 G HA2 -0.212 3.799 3.960 0.084 0.000 0.216 224 G HA3 -0.212 3.799 3.960 0.084 0.000 0.216 224 G C 0.828 175.844 174.900 0.194 0.000 1.154 224 G CA 0.400 45.432 45.100 -0.113 0.000 0.784 224 G HN 0.461 nan 8.290 nan 0.000 0.538 225 S N 0.225 116.139 115.700 0.356 0.000 2.560 225 S HA 0.209 4.729 4.470 0.084 0.000 0.284 225 S C 1.965 176.852 174.600 0.479 0.000 1.327 225 S CA 0.579 59.025 58.200 0.410 0.000 1.055 225 S CB 0.860 64.337 63.200 0.463 0.000 0.868 225 S HN 0.468 nan 8.310 nan 0.000 0.506 226 T N 0.649 115.374 114.554 0.285 0.000 3.113 226 T HA 0.012 4.412 4.350 0.084 0.000 0.263 226 T C 0.306 175.039 174.700 0.055 0.000 1.143 226 T CA 0.451 62.692 62.100 0.235 0.000 1.090 226 T CB -0.193 68.734 68.868 0.097 0.000 0.922 226 T HN 0.529 nan 8.240 nan 0.000 0.521 227 D N 0.931 121.291 120.400 -0.067 0.000 2.443 227 D HA 0.584 5.275 4.640 0.084 0.000 0.221 227 D C 1.112 177.093 176.300 -0.532 0.000 1.097 227 D CA -0.389 53.411 54.000 -0.334 0.000 0.865 227 D CB 1.121 41.578 40.800 -0.573 0.000 1.034 227 D HN 0.144 nan 8.370 nan 0.000 0.511 228 A N 3.149 125.507 122.820 -0.770 0.000 2.070 228 A HA -0.023 4.347 4.320 0.084 0.000 0.220 228 A C 2.047 179.154 177.584 -0.796 0.000 1.159 228 A CA 1.506 52.629 52.037 -1.523 0.000 0.656 228 A CB -0.564 17.624 19.000 -1.354 0.000 0.800 228 A HN 0.620 nan 8.150 nan 0.000 0.453 229 G N -1.056 107.469 108.800 -0.457 0.000 2.462 229 G HA2 -0.246 3.764 3.960 0.084 0.000 0.220 229 G HA3 -0.246 3.764 3.960 0.084 0.000 0.220 229 G C 1.223 176.105 174.900 -0.029 0.000 1.121 229 G CA 1.156 46.129 45.100 -0.212 0.000 0.758 229 G HN 0.850 nan 8.290 nan 0.000 0.559 230 H N -2.192 116.848 119.070 -0.050 0.000 2.547 230 H HA 0.090 4.700 4.556 0.090 0.000 0.266 230 H C 0.328 175.800 175.328 0.239 0.000 0.988 230 H CA -0.880 55.217 56.048 0.082 0.000 1.147 230 H CB 0.284 30.109 29.762 0.106 0.000 1.365 230 H HN 0.242 nan 8.280 nan 0.000 0.589 231 W N 1.715 123.086 121.300 0.117 0.000 2.190 231 W HA 0.451 5.164 4.660 0.088 0.000 0.330 231 W C 0.154 176.687 176.519 0.024 0.000 1.299 231 W CA -1.053 56.334 57.345 0.070 0.000 1.215 231 W CB 0.045 29.541 29.460 0.060 0.000 1.147 231 W HN -0.023 nan 8.180 nan 0.000 0.563 232 A N 2.135 125.074 122.820 0.198 0.000 2.475 232 A HA 0.661 5.032 4.320 0.084 0.000 0.301 232 A C -1.285 176.299 177.584 0.001 0.000 1.059 232 A CA -0.830 51.254 52.037 0.079 0.000 0.710 232 A CB 1.167 20.198 19.000 0.052 0.000 1.288 232 A HN 0.264 nan 8.150 nan 0.000 0.408 233 V N 2.502 122.403 119.914 -0.022 0.000 2.446 233 V HA 0.091 4.261 4.120 0.084 0.000 0.276 233 V C 1.126 177.190 176.094 -0.050 0.000 1.030 233 V CA 1.034 63.299 62.300 -0.059 0.000 1.033 233 V CB 0.089 31.890 31.823 -0.038 0.000 0.993 233 V HN 1.072 nan 8.190 nan 0.000 0.477 234 E N 3.234 123.379 120.200 -0.093 0.000 2.476 234 E HA 0.273 4.673 4.350 0.084 0.000 0.199 234 E C 0.459 177.034 176.600 -0.041 0.000 1.021 234 E CA -0.272 56.087 56.400 -0.070 0.000 0.907 234 E CB 0.726 30.368 29.700 -0.096 0.000 0.974 234 E HN 0.569 nan 8.360 nan 0.000 0.489 235 Q N 0.307 120.083 119.800 -0.040 0.000 2.545 235 Q HA 0.388 4.778 4.340 0.084 0.000 0.273 235 Q C -2.224 173.910 176.000 0.223 0.000 0.975 235 Q CA -0.671 55.196 55.803 0.106 0.000 0.876 235 Q CB 2.412 31.226 28.738 0.127 0.000 1.472 235 Q HN 0.064 nan 8.270 nan 0.000 0.389 236 V N 2.212 122.385 119.914 0.431 0.000 2.760 236 V HA 0.704 4.874 4.120 0.084 0.000 0.309 236 V C -1.414 175.069 176.094 0.648 0.000 1.077 236 V CA -0.702 61.883 62.300 0.474 0.000 0.910 236 V CB 1.946 33.941 31.823 0.285 0.000 1.008 236 V HN 0.836 nan 8.190 nan 0.000 0.424 237 W N 5.480 127.006 121.300 0.377 0.000 2.739 237 W HA 0.730 5.439 4.660 0.083 0.000 0.331 237 W C -1.923 174.696 176.519 0.166 0.000 1.049 237 W CA -0.737 56.656 57.345 0.080 0.000 1.234 237 W CB 1.632 30.933 29.460 -0.265 0.000 1.404 237 W HN 0.602 nan 8.180 nan 0.000 0.477 238 Y N 7.096 127.111 120.300 -0.475 0.000 2.354 238 Y HA 0.248 4.848 4.550 0.083 0.000 0.330 238 Y C 0.284 175.656 175.900 -0.880 0.000 1.011 238 Y CA -1.346 56.452 58.100 -0.504 0.000 1.099 238 Y CB 1.073 39.394 38.460 -0.231 0.000 1.179 238 Y HN 0.632 nan 8.280 nan 0.000 0.442 239 N N 4.180 121.851 118.700 -1.715 0.000 2.699 239 N HA -0.199 4.591 4.740 0.084 0.000 0.256 239 N C 0.737 175.731 175.510 -0.860 0.000 0.993 239 N CA 2.169 54.536 53.050 -1.138 0.000 0.759 239 N CB -1.072 36.796 38.487 -1.031 0.000 0.906 239 N HN 1.596 nan 8.380 nan 0.000 0.541 240 G N -1.629 106.348 108.800 -1.372 0.000 2.175 240 G HA2 -0.274 3.736 3.960 0.084 0.000 0.244 240 G HA3 -0.274 3.736 3.960 0.084 0.000 0.244 240 G C -0.265 174.314 174.900 -0.534 0.000 0.982 240 G CA 0.644 45.432 45.100 -0.521 0.000 0.641 240 G HN 0.537 nan 8.290 nan 0.000 0.527 241 K N -0.234 119.662 120.400 -0.839 0.000 2.375 241 K HA 0.690 5.060 4.320 0.084 0.000 0.249 241 K C -0.698 175.484 176.600 -0.697 0.000 0.942 241 K CA -0.893 55.048 56.287 -0.577 0.000 0.806 241 K CB 1.492 33.703 32.500 -0.481 0.000 1.227 241 K HN 0.035 nan 8.250 nan 0.000 0.430 242 F N 0.905 120.714 119.950 -0.235 0.000 2.384 242 F HA 0.228 4.805 4.527 0.083 0.000 0.338 242 F C 0.999 176.599 175.800 -0.334 0.000 1.103 242 F CA -0.077 57.894 58.000 -0.048 0.000 1.157 242 F CB 0.578 39.645 39.000 0.110 0.000 1.167 242 F HN 0.509 nan 8.300 nan 0.000 0.529 243 Y N 0.099 120.554 120.300 0.258 0.000 2.563 243 Y HA 0.296 4.896 4.550 0.083 0.000 0.250 243 Y C 1.532 177.496 175.900 0.107 0.000 1.126 243 Y CA 0.214 58.388 58.100 0.124 0.000 1.231 243 Y CB 0.823 39.302 38.460 0.031 0.000 1.288 243 Y HN 0.805 nan 8.280 nan 0.000 0.537 244 G N 0.831 109.786 108.800 0.258 0.000 2.990 244 G HA2 -0.325 3.685 3.960 0.084 0.000 0.225 244 G HA3 -0.325 3.685 3.960 0.084 0.000 0.225 244 G C 0.390 175.361 174.900 0.118 0.000 1.304 244 G CA 0.520 45.713 45.100 0.155 0.000 0.816 244 G HN 0.720 nan 8.290 nan 0.000 0.528 245 S N -0.751 115.015 115.700 0.110 0.000 2.596 245 S HA 0.724 5.244 4.470 0.084 0.000 0.270 245 S C -2.263 172.347 174.600 0.016 0.000 1.155 245 S CA -0.279 57.954 58.200 0.055 0.000 0.827 245 S CB 2.171 65.387 63.200 0.028 0.000 1.130 245 S HN 0.056 nan 8.310 nan 0.000 0.467 246 P HA 0.036 nan 4.420 nan 0.000 0.216 246 P C 1.822 179.047 177.300 -0.124 0.000 1.150 246 P CA 2.353 65.397 63.100 -0.093 0.000 0.837 246 P CB -0.223 31.440 31.700 -0.063 0.000 0.786 247 E N 0.638 120.799 120.200 -0.066 0.000 2.077 247 E HA -0.276 4.124 4.350 0.084 0.000 0.193 247 E C 2.017 178.584 176.600 -0.055 0.000 0.989 247 E CA 1.683 58.050 56.400 -0.055 0.000 0.800 247 E CB -1.530 28.155 29.700 -0.024 0.000 0.746 247 E HN 0.458 nan 8.360 nan 0.000 0.452 248 E N -0.590 119.595 120.200 -0.025 0.000 2.072 248 E HA -0.121 4.279 4.350 0.084 0.000 0.191 248 E C 2.217 178.793 176.600 -0.041 0.000 0.985 248 E CA 1.168 57.576 56.400 0.012 0.000 0.801 248 E CB -0.133 29.618 29.700 0.084 0.000 0.750 248 E HN 0.404 nan 8.360 nan 0.000 0.452 249 L N 1.069 122.191 121.223 -0.169 0.000 2.046 249 L HA -0.100 4.290 4.340 0.084 0.000 0.208 249 L C 2.273 178.875 176.870 -0.447 0.000 1.077 249 L CA 2.226 56.757 54.840 -0.514 0.000 0.747 249 L CB -0.815 40.781 42.059 -0.772 0.000 0.896 249 L HN 0.167 nan 8.230 nan 0.000 0.432 250 A N -0.179 122.444 122.820 -0.328 0.000 1.883 250 A HA -0.234 4.136 4.320 0.084 0.000 0.217 250 A C 2.662 180.218 177.584 -0.046 0.000 1.186 250 A CA 2.845 54.771 52.037 -0.185 0.000 0.624 250 A CB -1.022 17.895 19.000 -0.138 0.000 0.822 250 A HN 0.496 nan 8.150 nan 0.000 0.444 251 R N 0.021 120.492 120.500 -0.048 0.000 2.073 251 R HA -0.082 4.308 4.340 0.084 0.000 0.234 251 R C 2.219 178.516 176.300 -0.004 0.000 1.134 251 R CA 2.020 58.112 56.100 -0.014 0.000 0.952 251 R CB -1.100 29.197 30.300 -0.005 0.000 0.850 251 R HN 0.697 nan 8.270 nan 0.000 0.433 252 K N -1.083 119.316 120.400 -0.002 0.000 2.097 252 K HA -0.132 4.238 4.320 0.084 0.000 0.206 252 K C 2.115 178.736 176.600 0.035 0.000 1.049 252 K CA 1.557 57.862 56.287 0.031 0.000 0.933 252 K CB -0.336 32.220 32.500 0.094 0.000 0.717 252 K HN 0.552 nan 8.250 nan 0.000 0.442 253 Y N 1.416 121.641 120.300 -0.125 0.000 2.114 253 Y HA -0.245 4.356 4.550 0.084 0.000 0.284 253 Y C 2.166 178.056 175.900 -0.017 0.000 1.143 253 Y CA 1.396 59.455 58.100 -0.069 0.000 1.135 253 Y CB -0.663 37.743 38.460 -0.090 0.000 0.980 253 Y HN 0.031 nan 8.280 nan 0.000 0.499 254 A N 0.081 122.819 122.820 -0.136 0.000 1.940 254 A HA -0.206 4.165 4.320 0.084 0.000 0.219 254 A C 1.677 179.168 177.584 -0.155 0.000 1.176 254 A CA 2.089 54.011 52.037 -0.192 0.000 0.631 254 A CB -0.825 18.139 19.000 -0.060 0.000 0.814 254 A HN 0.563 nan 8.150 nan 0.000 0.446 255 D N -1.228 119.121 120.400 -0.084 0.000 2.349 255 D HA 0.278 4.968 4.640 0.084 0.000 0.224 255 D C 1.284 177.555 176.300 -0.050 0.000 1.029 255 D CA 1.044 55.013 54.000 -0.051 0.000 0.879 255 D CB -0.180 40.611 40.800 -0.015 0.000 0.906 255 D HN 0.630 nan 8.370 nan 0.000 0.528 256 G N 1.285 110.034 108.800 -0.085 0.000 2.147 256 G HA2 -0.317 3.693 3.960 0.084 0.000 0.244 256 G HA3 -0.317 3.693 3.960 0.084 0.000 0.244 256 G C 0.427 175.334 174.900 0.013 0.000 1.005 256 G CA -0.124 44.943 45.100 -0.055 0.000 0.713 256 G HN 0.417 nan 8.290 nan 0.000 0.515 257 E N -0.606 119.619 120.200 0.042 0.000 2.496 257 E HA 0.387 4.787 4.350 0.084 0.000 0.202 257 E C -0.027 176.660 176.600 0.146 0.000 1.021 257 E CA -0.119 56.331 56.400 0.085 0.000 1.015 257 E CB 1.132 30.883 29.700 0.084 0.000 1.102 257 E HN 0.283 nan 8.360 nan 0.000 0.452 258 V N 1.163 121.176 119.914 0.165 0.000 2.638 258 V HA 0.114 4.284 4.120 0.084 0.000 0.306 258 V C -0.526 175.712 176.094 0.240 0.000 1.052 258 V CA -1.063 61.378 62.300 0.235 0.000 0.885 258 V CB 2.115 34.073 31.823 0.225 0.000 0.999 258 V HN 0.054 nan 8.190 nan 0.000 0.424 259 D N 3.583 124.122 120.400 0.232 0.000 2.344 259 D HA 0.270 4.960 4.640 0.084 0.000 0.253 259 D C -0.412 176.061 176.300 0.289 0.000 1.255 259 D CA 0.366 54.486 54.000 0.200 0.000 0.894 259 D CB 1.097 41.973 40.800 0.127 0.000 1.067 259 D HN 0.226 nan 8.370 nan 0.000 0.492 260 V N 4.520 124.613 119.914 0.298 0.000 2.481 260 V HA 0.276 4.446 4.120 0.084 0.000 0.286 260 V C 0.129 176.376 176.094 0.255 0.000 1.042 260 V CA -0.779 61.735 62.300 0.356 0.000 0.928 260 V CB 1.903 33.904 31.823 0.295 0.000 0.986 260 V HN 0.300 nan 8.190 nan 0.000 0.462 261 V N 6.128 126.205 119.914 0.273 0.000 2.328 261 V HA 0.312 4.482 4.120 0.084 0.000 0.278 261 V C -0.003 176.163 176.094 0.119 0.000 1.021 261 V CA -0.568 61.863 62.300 0.219 0.000 0.838 261 V CB 1.580 33.608 31.823 0.341 0.000 0.999 261 V HN 0.599 nan 8.190 nan 0.000 0.447 262 V N 7.133 127.107 119.914 0.099 0.000 2.455 262 V HA 0.307 4.477 4.120 0.084 0.000 0.273 262 V C 0.466 176.598 176.094 0.065 0.000 1.045 262 V CA -0.140 62.188 62.300 0.046 0.000 0.976 262 V CB 1.012 32.872 31.823 0.061 0.000 0.993 262 V HN 0.622 nan 8.190 nan 0.000 0.475 279 P HA 0.559 nan 4.420 nan 0.000 0.270 279 P C -2.361 174.953 177.300 0.022 0.000 1.223 279 P CA -0.863 62.248 63.100 0.020 0.000 0.785 279 P CB -0.164 31.555 31.700 0.032 0.000 0.923 280 P HA 0.070 nan 4.420 nan 0.000 0.268 280 P C -0.124 177.192 177.300 0.027 0.000 1.208 280 P CA -0.470 62.636 63.100 0.010 0.000 0.777 280 P CB 0.158 31.860 31.700 0.003 0.000 0.875 281 L N 2.852 124.074 121.223 -0.002 0.000 2.514 281 L HA -0.007 4.383 4.340 0.084 0.000 0.280 281 L C 1.338 178.179 176.870 -0.048 0.000 1.223 281 L CA 0.285 55.107 54.840 -0.030 0.000 0.864 281 L CB -0.684 41.307 42.059 -0.113 0.000 1.118 281 L HN 0.434 nan 8.230 nan 0.000 0.494 282 F N 0.524 120.467 119.950 -0.012 0.000 2.250 282 F HA -0.127 4.451 4.527 0.084 0.000 0.301 282 F C 1.921 177.696 175.800 -0.042 0.000 1.077 282 F CA 1.036 59.001 58.000 -0.060 0.000 1.348 282 F CB -1.161 37.718 39.000 -0.202 0.000 1.040 282 F HN 0.546 nan 8.300 nan 0.000 0.509 283 S N -0.959 114.314 115.700 -0.712 0.000 2.603 283 S HA 0.098 4.618 4.470 0.084 0.000 0.220 283 S C 0.880 175.482 174.600 0.003 0.000 0.967 283 S CA -0.028 57.991 58.200 -0.303 0.000 0.920 283 S CB -0.755 62.218 63.200 -0.380 0.000 0.773 283 S HN 0.418 nan 8.310 nan 0.000 0.529 284 S N 0.223 115.898 115.700 -0.042 0.000 2.616 284 S HA 0.374 4.895 4.470 0.084 0.000 0.277 284 S C 0.421 175.030 174.600 0.014 0.000 1.234 284 S CA -0.478 57.747 58.200 0.043 0.000 1.028 284 S CB 0.545 63.747 63.200 0.005 0.000 0.988 284 S HN 0.449 nan 8.310 nan 0.000 0.522 285 H N 1.517 120.577 119.070 -0.017 0.000 2.551 285 H HA 0.271 4.877 4.556 0.084 0.000 0.266 285 H C 0.285 175.583 175.328 -0.050 0.000 0.977 285 H CA 0.355 56.375 56.048 -0.047 0.000 1.163 285 H CB 0.114 29.840 29.762 -0.060 0.000 1.381 285 H HN 0.440 nan 8.280 nan 0.000 0.581 286 K N 2.154 122.590 120.400 0.060 0.000 2.484 286 K HA 0.027 4.397 4.320 0.084 0.000 0.280 286 K C -2.416 174.175 176.600 -0.016 0.000 1.013 286 K CA -1.433 54.861 56.287 0.012 0.000 1.029 286 K CB 0.166 32.666 32.500 -0.000 0.000 0.902 286 K HN 0.065 nan 8.250 nan 0.000 0.481 287 P HA -0.016 nan 4.420 nan 0.000 0.265 287 P C -0.704 176.557 177.300 -0.066 0.000 1.193 287 P CA 0.246 63.307 63.100 -0.065 0.000 0.765 287 P CB 0.613 32.269 31.700 -0.074 0.000 0.823 288 R N 1.439 121.887 120.500 -0.087 0.000 2.781 288 R HA 0.776 5.166 4.340 0.084 0.000 0.269 288 R C -0.253 175.974 176.300 -0.121 0.000 1.025 288 R CA -0.393 55.660 56.100 -0.078 0.000 0.914 288 R CB 0.509 30.786 30.300 -0.040 0.000 1.236 288 R HN 0.682 nan 8.270 nan 0.000 0.465 289 G N 0.572 109.312 108.800 -0.100 0.000 2.795 289 G HA2 -0.095 3.915 3.960 0.084 0.000 0.664 289 G HA3 -0.095 3.915 3.960 0.084 0.000 0.664 289 G C -1.695 173.103 174.900 -0.170 0.000 1.381 289 G CA -0.210 44.818 45.100 -0.120 0.000 0.853 289 G HN 0.717 nan 8.290 nan 0.000 0.545 290 D N -0.281 120.032 120.400 -0.146 0.000 2.787 290 D HA 0.532 5.223 4.640 0.084 0.000 0.246 290 D C -0.149 176.109 176.300 -0.070 0.000 1.150 290 D CA -0.355 53.569 54.000 -0.127 0.000 0.864 290 D CB 1.272 42.053 40.800 -0.033 0.000 1.481 290 D HN 0.161 nan 8.370 nan 0.000 0.509 291 F N 1.810 121.742 119.950 -0.031 0.000 2.450 291 F HA 0.177 4.754 4.527 0.084 0.000 0.339 291 F C -0.745 175.037 175.800 -0.030 0.000 1.146 291 F CA -1.828 56.150 58.000 -0.036 0.000 1.267 291 F CB -0.058 38.909 39.000 -0.055 0.000 1.178 291 F HN 0.206 nan 8.300 nan 0.000 0.585 292 P HA -0.076 nan 4.420 nan 0.000 0.218 292 P C -0.282 177.057 177.300 0.066 0.000 1.149 292 P CA 1.110 64.263 63.100 0.089 0.000 0.817 292 P CB 0.205 31.934 31.700 0.049 0.000 0.785 293 S N 0.628 116.363 115.700 0.058 0.000 2.328 293 S HA 0.371 4.891 4.470 0.084 0.000 0.204 293 S C -2.480 172.135 174.600 0.025 0.000 1.475 293 S CA -1.061 57.150 58.200 0.019 0.000 1.148 293 S CB 0.334 63.515 63.200 -0.032 0.000 1.077 293 S HN 0.038 nan 8.310 nan 0.000 0.479 294 P HA 0.153 nan 4.420 nan 0.000 0.265 294 P C -0.668 176.434 177.300 -0.329 0.000 1.187 294 P CA 0.040 63.075 63.100 -0.108 0.000 0.766 294 P CB 0.386 31.991 31.700 -0.158 0.000 0.820 295 I N 3.493 123.890 120.570 -0.289 0.000 2.362 295 I HA 0.194 4.415 4.170 0.084 0.000 0.289 295 I C 1.101 177.018 176.117 -0.332 0.000 0.994 295 I CA -0.466 60.680 61.300 -0.257 0.000 1.158 295 I CB 1.182 39.143 38.000 -0.065 0.000 1.315 295 I HN 0.479 nan 8.210 nan 0.000 0.451 296 H N 5.352 124.439 119.070 0.027 0.000 2.893 296 H HA 0.247 4.853 4.556 0.084 0.000 0.270 296 H C 0.055 175.385 175.328 0.003 0.000 1.095 296 H CA 0.210 56.265 56.048 0.012 0.000 1.186 296 H CB 0.782 30.548 29.762 0.007 0.000 1.562 296 H HN 0.422 nan 8.280 nan 0.000 0.536 297 V N -1.249 118.710 119.914 0.076 0.000 3.074 297 V HA 0.617 4.787 4.120 0.084 0.000 0.314 297 V C 0.253 176.356 176.094 0.014 0.000 1.117 297 V CA -1.063 61.264 62.300 0.044 0.000 1.014 297 V CB 2.143 33.990 31.823 0.040 0.000 1.057 297 V HN 0.054 nan 8.190 nan 0.000 0.438 298 S N 1.229 116.932 115.700 0.005 0.000 2.576 298 S HA 0.589 5.110 4.470 0.084 0.000 0.276 298 S C 0.568 175.163 174.600 -0.008 0.000 1.339 298 S CA 0.181 58.376 58.200 -0.008 0.000 1.039 298 S CB 0.991 64.184 63.200 -0.012 0.000 0.902 298 S HN 1.447 nan 8.310 nan 0.000 0.516 299 G N 1.238 110.030 108.800 -0.014 0.000 2.543 299 G HA2 0.556 4.566 3.960 0.084 0.000 0.290 299 G HA3 0.556 4.566 3.960 0.084 0.000 0.290 299 G C -2.608 172.285 174.900 -0.012 0.000 1.310 299 G CA -1.336 43.755 45.100 -0.015 0.000 1.025 299 G HN 0.504 nan 8.290 nan 0.000 0.502 300 P HA 0.332 nan 4.420 nan 0.000 0.272 300 P C -0.437 176.859 177.300 -0.007 0.000 1.223 300 P CA -0.201 62.895 63.100 -0.006 0.000 0.784 300 P CB 0.720 32.418 31.700 -0.004 0.000 0.923 301 R N 0.541 121.040 120.500 -0.001 0.000 2.808 301 R HA 0.654 5.044 4.340 0.084 0.000 0.272 301 R C -1.182 175.122 176.300 0.007 0.000 0.995 301 R CA -1.135 54.964 56.100 -0.001 0.000 0.917 301 R CB 0.383 30.684 30.300 0.001 0.000 1.217 301 R HN 0.058 nan 8.270 nan 0.000 0.471 302 L N 1.846 123.073 121.223 0.007 0.000 2.397 302 L HA 0.357 4.748 4.340 0.084 0.000 0.271 302 L C -0.098 176.784 176.870 0.021 0.000 1.148 302 L CA -0.053 54.799 54.840 0.020 0.000 0.825 302 L CB 1.590 43.664 42.059 0.025 0.000 1.117 302 L HN 0.608 nan 8.230 nan 0.000 0.456 303 V N 1.022 120.949 119.914 0.022 0.000 2.769 303 V HA 0.639 4.810 4.120 0.084 0.000 0.312 303 V C -0.535 175.566 176.094 0.011 0.000 1.061 303 V CA -0.718 61.588 62.300 0.010 0.000 0.931 303 V CB 1.756 33.575 31.823 -0.007 0.000 1.010 303 V HN 0.796 nan 8.190 nan 0.000 0.433 304 Q N 3.016 122.815 119.800 -0.003 0.000 3.230 304 Q HA 0.381 4.771 4.340 0.084 0.000 0.303 304 Q C -1.975 173.985 176.000 -0.067 0.000 0.884 304 Q CA -1.489 54.312 55.803 -0.003 0.000 0.859 304 Q CB 1.788 30.551 28.738 0.041 0.000 1.432 304 Q HN 0.782 nan 8.270 nan 0.000 0.403 305 P HA -0.157 nan 4.420 nan 0.000 0.219 305 P C 0.289 177.409 177.300 -0.299 0.000 1.146 305 P CA 1.155 64.079 63.100 -0.293 0.000 0.808 305 P CB 0.248 31.674 31.700 -0.456 0.000 0.779 306 H N -0.751 118.334 119.070 0.024 0.000 2.517 306 H HA 0.384 4.990 4.556 0.084 0.000 0.282 306 H C 1.400 176.728 175.328 0.000 0.000 1.023 306 H CA 0.575 56.633 56.048 0.016 0.000 1.169 306 H CB -0.174 29.603 29.762 0.025 0.000 1.454 306 H HN 0.169 nan 8.280 nan 0.000 0.556 307 G N 1.807 110.641 108.800 0.056 0.000 2.829 307 G HA2 -0.210 3.800 3.960 0.084 0.000 0.628 307 G HA3 -0.210 3.800 3.960 0.084 0.000 0.628 307 G C -2.674 172.201 174.900 -0.042 0.000 1.412 307 G CA -1.171 43.929 45.100 -0.000 0.000 0.864 307 G HN 0.099 nan 8.290 nan 0.000 0.544 308 P HA 0.246 nan 4.420 nan 0.000 0.267 308 P C 0.675 177.800 177.300 -0.292 0.000 1.200 308 P CA 0.053 62.902 63.100 -0.418 0.000 0.772 308 P CB 0.367 31.479 31.700 -0.981 0.000 0.855 309 R N 1.584 122.004 120.500 -0.133 0.000 2.362 309 R HA 0.193 4.584 4.340 0.084 0.000 0.227 309 R C 0.320 176.750 176.300 0.216 0.000 0.905 309 R CA 0.085 56.235 56.100 0.083 0.000 1.067 309 R CB -0.193 30.248 30.300 0.235 0.000 1.078 309 R HN 0.510 nan 8.270 nan 0.000 0.516 310 F N -0.953 119.110 119.950 0.188 0.000 2.483 310 F HA 0.716 5.293 4.527 0.084 0.000 0.329 310 F C 0.240 176.079 175.800 0.065 0.000 1.064 310 F CA -1.523 56.574 58.000 0.162 0.000 0.986 310 F CB 0.508 39.542 39.000 0.058 0.000 1.218 310 F HN -0.319 nan 8.300 nan 0.000 0.484 311 R N 1.992 122.608 120.500 0.193 0.000 2.338 311 R HA 0.767 5.157 4.340 0.084 0.000 0.317 311 R C -1.980 174.412 176.300 0.154 0.000 0.968 311 R CA -0.814 55.339 56.100 0.089 0.000 0.849 311 R CB 1.019 31.343 30.300 0.041 0.000 1.128 311 R HN 0.933 nan 8.270 nan 0.000 0.448 312 L N 1.209 122.524 121.223 0.153 0.000 2.325 312 L HA 0.768 5.158 4.340 0.084 0.000 0.281 312 L C 0.054 176.980 176.870 0.094 0.000 1.004 312 L CA -0.275 54.661 54.840 0.160 0.000 0.823 312 L CB 2.005 44.217 42.059 0.254 0.000 1.236 312 L HN 0.913 nan 8.230 nan 0.000 0.415 313 E N 3.631 123.865 120.200 0.057 0.000 2.279 313 E HA 0.629 5.030 4.350 0.084 0.000 0.252 313 E C 0.483 177.093 176.600 0.017 0.000 0.894 313 E CA -0.201 56.220 56.400 0.034 0.000 0.785 313 E CB 0.721 30.429 29.700 0.013 0.000 1.237 313 E HN 1.572 nan 8.360 nan 0.000 0.418 314 G N 2.480 111.298 108.800 0.029 0.000 2.602 314 G HA2 -0.369 3.641 3.960 0.084 0.000 0.310 314 G HA3 -0.369 3.641 3.960 0.084 0.000 0.310 314 G C 0.850 175.709 174.900 -0.068 0.000 1.183 314 G CA 0.822 45.920 45.100 -0.003 0.000 0.979 314 G HN 1.594 nan 8.290 nan 0.000 0.545 315 N N 1.909 120.471 118.700 -0.230 0.000 2.273 315 N HA 0.557 5.347 4.740 0.084 0.000 0.231 315 N C 0.237 175.466 175.510 -0.467 0.000 1.134 315 N CA 1.009 53.647 53.050 -0.687 0.000 0.856 315 N CB 0.432 38.455 38.487 -0.775 0.000 1.068 315 N HN 1.320 nan 8.380 nan 0.000 0.510 316 A N 0.317 123.037 122.820 -0.167 0.000 2.304 316 A HA 0.653 5.023 4.320 0.084 0.000 0.323 316 A C -0.593 176.911 177.584 -0.133 0.000 1.195 316 A CA -0.574 51.387 52.037 -0.127 0.000 0.826 316 A CB 1.313 20.269 19.000 -0.073 0.000 1.184 316 A HN 0.060 nan 8.150 nan 0.000 0.496 317 V N 3.711 123.407 119.914 -0.364 0.000 2.555 317 V HA 0.497 4.667 4.120 0.084 0.000 0.302 317 V C -0.335 175.518 176.094 -0.401 0.000 1.038 317 V CA -0.353 61.663 62.300 -0.473 0.000 0.887 317 V CB 1.411 32.624 31.823 -1.015 0.000 0.991 317 V HN 0.772 nan 8.190 nan 0.000 0.434 318 L N 4.824 125.974 121.223 -0.122 0.000 2.365 318 L HA 0.649 5.039 4.340 0.084 0.000 0.273 318 L C -1.349 175.635 176.870 0.191 0.000 1.000 318 L CA -0.785 54.057 54.840 0.002 0.000 0.819 318 L CB 1.861 43.926 42.059 0.011 0.000 1.284 318 L HN 0.711 nan 8.230 nan 0.000 0.418 319 Y N 2.269 122.625 120.300 0.093 0.000 2.287 319 Y HA 0.515 5.115 4.550 0.084 0.000 0.321 319 Y C 0.442 176.472 175.900 0.216 0.000 1.173 319 Y CA 0.083 58.296 58.100 0.187 0.000 1.124 319 Y CB 1.287 39.872 38.460 0.209 0.000 1.201 319 Y HN 0.810 nan 8.280 nan 0.000 0.421 320 G N 3.735 112.396 108.800 -0.232 0.000 2.665 320 G HA2 -0.405 3.605 3.960 0.084 0.000 0.326 320 G HA3 -0.405 3.605 3.960 0.084 0.000 0.326 320 G C 1.193 175.912 174.900 -0.301 0.000 1.231 320 G CA 0.587 45.511 45.100 -0.294 0.000 0.992 320 G HN 1.682 nan 8.290 nan 0.000 0.549 321 G N -0.565 107.885 108.800 -0.583 0.000 2.650 321 G HA2 0.281 4.291 3.960 0.084 0.000 0.214 321 G HA3 0.281 4.291 3.960 0.084 0.000 0.214 321 G C 0.522 174.864 174.900 -0.929 0.000 1.136 321 G CA 0.481 44.889 45.100 -1.155 0.000 0.789 321 G HN 0.468 nan 8.290 nan 0.000 0.536 322 W N 1.284 122.413 121.300 -0.285 0.000 2.315 322 W HA 0.530 5.241 4.660 0.084 0.000 0.316 322 W C 0.364 176.897 176.519 0.023 0.000 1.211 322 W CA -0.666 56.709 57.345 0.050 0.000 1.201 322 W CB 1.399 31.030 29.460 0.285 0.000 1.184 322 W HN 0.056 nan 8.180 nan 0.000 0.544 323 S N 3.449 119.370 115.700 0.368 0.000 2.547 323 S HA 0.872 5.392 4.470 0.084 0.000 0.281 323 S C -1.105 173.671 174.600 0.295 0.000 1.118 323 S CA -0.844 57.451 58.200 0.158 0.000 0.947 323 S CB 1.192 64.406 63.200 0.023 0.000 1.053 323 S HN 0.573 nan 8.310 nan 0.000 0.482 324 F N -0.655 119.314 119.950 0.032 0.000 2.773 324 F HA 0.936 5.513 4.527 0.083 0.000 0.314 324 F C -0.933 174.854 175.800 -0.021 0.000 1.160 324 F CA -1.112 56.882 58.000 -0.010 0.000 0.920 324 F CB 0.745 39.693 39.000 -0.088 0.000 1.323 324 F HN 0.872 nan 8.300 nan 0.000 0.457 325 A N 1.248 124.161 122.820 0.156 0.000 2.354 325 A HA 0.946 5.316 4.320 0.084 0.000 0.321 325 A C -1.533 176.166 177.584 0.192 0.000 1.125 325 A CA -0.697 51.365 52.037 0.043 0.000 0.799 325 A CB 1.220 20.217 19.000 -0.005 0.000 1.293 325 A HN 1.300 nan 8.150 nan 0.000 0.452 326 F N -0.608 119.384 119.950 0.071 0.000 2.613 326 F HA 0.917 5.494 4.527 0.083 0.000 0.314 326 F C -0.323 175.512 175.800 0.057 0.000 1.075 326 F CA -1.038 56.996 58.000 0.058 0.000 0.945 326 F CB 1.618 40.698 39.000 0.133 0.000 1.310 326 F HN 0.855 nan 8.300 nan 0.000 0.467 327 R N 1.485 122.129 120.500 0.240 0.000 2.739 327 R HA 0.783 5.173 4.340 0.084 0.000 0.271 327 R C -2.459 173.977 176.300 0.227 0.000 1.010 327 R CA -1.159 55.053 56.100 0.186 0.000 0.897 327 R CB 1.937 32.301 30.300 0.106 0.000 1.236 327 R HN 0.834 nan 8.270 nan 0.000 0.466 328 L N 1.818 123.161 121.223 0.200 0.000 2.337 328 L HA 0.463 4.853 4.340 0.084 0.000 0.269 328 L C -0.489 176.465 176.870 0.139 0.000 1.018 328 L CA -0.533 54.406 54.840 0.165 0.000 0.876 328 L CB 1.078 43.249 42.059 0.186 0.000 1.236 328 L HN 0.707 nan 8.230 nan 0.000 0.436 329 R N 2.406 122.959 120.500 0.088 0.000 2.296 329 R HA 0.199 4.589 4.340 0.084 0.000 0.323 329 R C 0.967 177.292 176.300 0.042 0.000 1.067 329 R CA 0.284 56.432 56.100 0.080 0.000 0.946 329 R CB 0.863 31.197 30.300 0.057 0.000 0.991 329 R HN 0.827 nan 8.270 nan 0.000 0.448 330 S N 1.665 117.414 115.700 0.081 0.000 2.387 330 S HA -0.217 4.303 4.470 0.084 0.000 0.230 330 S C 1.773 176.304 174.600 -0.116 0.000 1.035 330 S CA 1.862 60.040 58.200 -0.035 0.000 1.014 330 S CB -0.080 63.186 63.200 0.110 0.000 0.836 330 S HN 0.856 nan 8.310 nan 0.000 0.466 331 S N 1.629 117.333 115.700 0.006 0.000 2.345 331 S HA -0.036 4.484 4.470 0.084 0.000 0.219 331 S C 1.843 176.420 174.600 -0.038 0.000 1.031 331 S CA 1.184 59.397 58.200 0.021 0.000 0.984 331 S CB -0.414 62.845 63.200 0.098 0.000 0.874 331 S HN 0.602 nan 8.310 nan 0.000 0.451 332 S N 0.016 115.688 115.700 -0.046 0.000 2.578 332 S HA 0.597 5.118 4.470 0.084 0.000 0.228 332 S C 1.000 175.492 174.600 -0.180 0.000 1.022 332 S CA 0.270 58.417 58.200 -0.088 0.000 0.967 332 S CB 0.107 63.276 63.200 -0.052 0.000 0.914 332 S HN 1.476 nan 8.310 nan 0.000 0.515 333 G N 1.360 110.063 108.800 -0.163 0.000 2.500 333 G HA2 -0.018 3.992 3.960 0.084 0.000 0.209 333 G HA3 -0.018 3.992 3.960 0.084 0.000 0.209 333 G C -0.891 173.925 174.900 -0.139 0.000 1.283 333 G CA -0.493 44.466 45.100 -0.236 0.000 0.960 333 G HN 0.760 nan 8.290 nan 0.000 0.528 334 L N 1.248 122.374 121.223 -0.162 0.000 2.416 334 L HA 0.561 4.952 4.340 0.084 0.000 0.272 334 L C 0.661 177.627 176.870 0.161 0.000 1.161 334 L CA 0.639 55.521 54.840 0.069 0.000 0.845 334 L CB 0.577 42.733 42.059 0.162 0.000 1.119 334 L HN 0.647 nan 8.230 nan 0.000 0.464 335 Q N 4.217 124.088 119.800 0.118 0.000 2.372 335 Q HA 0.654 5.044 4.340 0.084 0.000 0.273 335 Q C -1.256 174.663 176.000 -0.135 0.000 1.078 335 Q CA -1.022 54.762 55.803 -0.031 0.000 0.806 335 Q CB 2.593 31.310 28.738 -0.036 0.000 1.332 335 Q HN 0.559 nan 8.270 nan 0.000 0.435 336 V N -0.215 119.440 119.914 -0.430 0.000 2.581 336 V HA 0.806 4.976 4.120 0.084 0.000 0.303 336 V C -0.895 174.986 176.094 -0.355 0.000 1.041 336 V CA -0.730 61.360 62.300 -0.349 0.000 0.907 336 V CB 1.215 32.691 31.823 -0.578 0.000 0.994 336 V HN 0.651 nan 8.190 nan 0.000 0.442 337 L N 2.746 123.758 121.223 -0.351 0.000 2.409 337 L HA 0.643 5.034 4.340 0.084 0.000 0.262 337 L C 0.271 176.818 176.870 -0.538 0.000 0.992 337 L CA -0.635 53.814 54.840 -0.652 0.000 0.817 337 L CB 1.828 43.147 42.059 -1.234 0.000 1.350 337 L HN 0.876 nan 8.230 nan 0.000 0.411 338 N N 0.624 119.019 118.700 -0.508 0.000 2.738 338 N HA -0.156 4.635 4.740 0.084 0.000 0.249 338 N C -0.981 174.634 175.510 0.174 0.000 1.047 338 N CA 0.393 53.378 53.050 -0.108 0.000 0.707 338 N CB -0.576 37.909 38.487 -0.003 0.000 0.937 338 N HN 0.341 nan 8.380 nan 0.000 0.545 339 V N 1.822 121.789 119.914 0.088 0.000 2.470 339 V HA 0.202 4.372 4.120 0.084 0.000 0.276 339 V C 0.612 176.843 176.094 0.227 0.000 1.040 339 V CA 0.039 62.488 62.300 0.248 0.000 1.008 339 V CB 0.716 32.640 31.823 0.169 0.000 0.990 339 V HN 0.342 nan 8.190 nan 0.000 0.477 340 H N 3.783 123.026 119.070 0.287 0.000 2.569 340 H HA 0.644 5.250 4.556 0.083 0.000 0.357 340 H C -1.050 174.452 175.328 0.291 0.000 1.153 340 H CA -0.640 55.551 56.048 0.239 0.000 1.193 340 H CB 1.815 31.673 29.762 0.160 0.000 1.602 340 H HN 0.597 nan 8.280 nan 0.000 0.523 341 F N 0.887 120.924 119.950 0.144 0.000 2.539 341 F HA 0.454 5.031 4.527 0.083 0.000 0.318 341 F C 0.692 176.596 175.800 0.172 0.000 1.135 341 F CA 0.059 58.032 58.000 -0.044 0.000 0.915 341 F CB 1.368 40.148 39.000 -0.366 0.000 1.176 341 F HN 0.785 nan 8.300 nan 0.000 0.440 342 G N 3.433 112.115 108.800 -0.195 0.000 2.246 342 G HA2 0.033 4.043 3.960 0.084 0.000 0.273 342 G HA3 0.033 4.043 3.960 0.084 0.000 0.273 342 G C 1.009 175.999 174.900 0.149 0.000 1.055 342 G CA 0.475 45.595 45.100 0.034 0.000 0.851 342 G HN 2.184 nan 8.290 nan 0.000 0.500 343 G N -1.540 107.336 108.800 0.127 0.000 2.189 343 G HA2 -0.260 3.750 3.960 0.084 0.000 0.267 343 G HA3 -0.260 3.750 3.960 0.084 0.000 0.267 343 G C 0.106 175.210 174.900 0.339 0.000 0.975 343 G CA 1.172 46.378 45.100 0.177 0.000 0.644 343 G HN 1.116 nan 8.290 nan 0.000 0.537 344 E N -0.233 120.183 120.200 0.360 0.000 2.183 344 E HA 0.456 4.857 4.350 0.084 0.000 0.271 344 E C 0.295 176.932 176.600 0.063 0.000 0.919 344 E CA -0.997 55.571 56.400 0.281 0.000 0.781 344 E CB 1.643 31.524 29.700 0.303 0.000 1.140 344 E HN 0.314 nan 8.360 nan 0.000 0.402 345 R N 2.744 123.093 120.500 -0.251 0.000 2.537 345 R HA 0.103 4.493 4.340 0.084 0.000 0.280 345 R C 0.846 177.030 176.300 -0.193 0.000 1.058 345 R CA 0.346 56.120 56.100 -0.544 0.000 1.057 345 R CB 0.337 30.385 30.300 -0.420 0.000 0.973 345 R HN 0.711 nan 8.270 nan 0.000 0.438 346 I N 0.334 120.756 120.570 -0.247 0.000 3.971 346 I HA 0.469 4.689 4.170 0.084 0.000 0.303 346 I C 0.007 175.965 176.117 -0.264 0.000 1.233 346 I CA -0.176 60.912 61.300 -0.353 0.000 1.346 346 I CB 0.823 38.392 38.000 -0.718 0.000 1.273 346 I HN 0.426 nan 8.210 nan 0.000 0.448 347 A N -0.321 122.395 122.820 -0.174 0.000 2.427 347 A HA 0.468 4.838 4.320 0.084 0.000 0.298 347 A C -0.538 177.009 177.584 -0.062 0.000 1.036 347 A CA -0.525 51.436 52.037 -0.126 0.000 0.701 347 A CB 0.652 19.558 19.000 -0.156 0.000 1.250 347 A HN 0.312 nan 8.150 nan 0.000 0.412 348 Y N 1.531 121.754 120.300 -0.127 0.000 2.286 348 Y HA 0.192 4.792 4.550 0.083 0.000 0.293 348 Y C 0.722 176.540 175.900 -0.137 0.000 1.124 348 Y CA 2.157 60.199 58.100 -0.097 0.000 1.178 348 Y CB 0.392 38.813 38.460 -0.064 0.000 1.010 348 Y HN 0.691 nan 8.280 nan 0.000 0.536 349 E N 0.127 120.253 120.200 -0.123 0.000 2.321 349 E HA 0.458 4.858 4.350 0.084 0.000 0.281 349 E C -2.132 174.361 176.600 -0.178 0.000 0.910 349 E CA -0.610 55.669 56.400 -0.201 0.000 0.770 349 E CB 1.925 31.585 29.700 -0.067 0.000 1.225 349 E HN -0.144 nan 8.360 nan 0.000 0.417 350 V N 3.331 123.107 119.914 -0.231 0.000 2.409 350 V HA 0.506 4.677 4.120 0.084 0.000 0.290 350 V C -0.616 175.402 176.094 -0.126 0.000 1.017 350 V CA -0.558 61.636 62.300 -0.176 0.000 0.841 350 V CB 1.232 32.908 31.823 -0.246 0.000 1.003 350 V HN 0.673 nan 8.190 nan 0.000 0.426 351 S N 3.253 118.990 115.700 0.062 0.000 2.540 351 S HA 0.715 5.236 4.470 0.084 0.000 0.275 351 S C -0.791 173.886 174.600 0.129 0.000 1.123 351 S CA -0.831 57.429 58.200 0.101 0.000 0.907 351 S CB 1.763 64.959 63.200 -0.007 0.000 1.081 351 S HN 0.370 nan 8.310 nan 0.000 0.476 352 V N 3.663 123.576 119.914 -0.002 0.000 2.599 352 V HA 0.122 4.292 4.120 0.084 0.000 0.300 352 V C 0.823 176.742 176.094 -0.291 0.000 1.034 352 V CA 0.302 62.363 62.300 -0.399 0.000 1.115 352 V CB 0.578 31.965 31.823 -0.727 0.000 0.934 352 V HN 0.966 nan 8.190 nan 0.000 0.485 353 Q N 2.169 121.784 119.800 -0.309 0.000 2.471 353 Q HA 0.286 4.676 4.340 0.084 0.000 0.241 353 Q C 0.410 176.289 176.000 -0.202 0.000 0.886 353 Q CA 0.340 56.034 55.803 -0.181 0.000 0.953 353 Q CB 1.180 29.858 28.738 -0.100 0.000 1.108 353 Q HN 0.857 nan 8.270 nan 0.000 0.575 354 E N -0.959 119.082 120.200 -0.266 0.000 2.396 354 E HA 0.612 5.012 4.350 0.084 0.000 0.280 354 E C -2.093 174.491 176.600 -0.027 0.000 1.065 354 E CA -0.380 55.944 56.400 -0.128 0.000 0.831 354 E CB 1.643 31.266 29.700 -0.130 0.000 1.272 354 E HN 0.045 nan 8.360 nan 0.000 0.443 355 A N 1.724 124.646 122.820 0.169 0.000 2.402 355 A HA 0.694 5.064 4.320 0.084 0.000 0.291 355 A C -1.181 176.606 177.584 0.338 0.000 1.051 355 A CA -0.163 52.035 52.037 0.268 0.000 0.716 355 A CB 0.792 20.010 19.000 0.364 0.000 1.223 355 A HN 1.064 nan 8.150 nan 0.000 0.425 356 V N -0.654 119.463 119.914 0.338 0.000 2.823 356 V HA 0.999 5.169 4.120 0.084 0.000 0.312 356 V C -0.150 176.069 176.094 0.208 0.000 1.072 356 V CA -0.436 62.046 62.300 0.303 0.000 0.937 356 V CB 1.587 33.581 31.823 0.285 0.000 1.013 356 V HN 1.983 nan 8.190 nan 0.000 0.430 357 A N 5.094 128.032 122.820 0.195 0.000 2.332 357 A HA 0.846 5.216 4.320 0.084 0.000 0.300 357 A C -0.880 176.700 177.584 -0.007 0.000 1.153 357 A CA -0.572 51.472 52.037 0.012 0.000 0.764 357 A CB 0.860 19.917 19.000 0.096 0.000 1.174 357 A HN 1.015 nan 8.150 nan 0.000 0.467 358 L N 2.931 124.037 121.223 -0.194 0.000 2.280 358 L HA 0.506 4.897 4.340 0.084 0.000 0.287 358 L C -1.002 175.733 176.870 -0.226 0.000 1.023 358 L CA -0.521 54.251 54.840 -0.113 0.000 0.819 358 L CB 0.836 42.841 42.059 -0.090 0.000 1.212 358 L HN 0.707 nan 8.230 nan 0.000 0.420 359 Y N 0.964 121.268 120.300 0.007 0.000 2.496 359 Y HA 0.735 5.335 4.550 0.084 0.000 0.331 359 Y C 0.836 176.754 175.900 0.030 0.000 1.140 359 Y CA -0.509 57.620 58.100 0.048 0.000 1.166 359 Y CB 2.132 40.617 38.460 0.041 0.000 1.249 359 Y HN 0.543 nan 8.280 nan 0.000 0.479 360 G N -0.715 108.211 108.800 0.211 0.000 2.498 360 G HA2 0.671 4.682 3.960 0.084 0.000 0.312 360 G HA3 0.671 4.682 3.960 0.084 0.000 0.312 360 G C -0.977 173.978 174.900 0.091 0.000 1.230 360 G CA -0.656 44.526 45.100 0.136 0.000 0.968 360 G HN 0.899 nan 8.290 nan 0.000 0.481 361 G N -1.020 107.662 108.800 -0.196 0.000 2.601 361 G HA2 0.467 4.477 3.960 0.084 0.000 0.291 361 G HA3 0.467 4.477 3.960 0.084 0.000 0.291 361 G C 0.144 174.687 174.900 -0.596 0.000 1.456 361 G CA -0.156 44.802 45.100 -0.237 0.000 0.804 361 G HN 0.896 nan 8.290 nan 0.000 0.499 362 H N -1.230 117.580 119.070 -0.433 0.000 2.525 362 H HA 0.123 4.730 4.556 0.084 0.000 0.275 362 H C 1.098 176.223 175.328 -0.339 0.000 0.984 362 H CA 1.064 56.950 56.048 -0.271 0.000 1.264 362 H CB -0.464 29.291 29.762 -0.011 0.000 1.432 362 H HN 0.604 nan 8.280 nan 0.000 0.549 363 T N -1.331 112.677 114.554 -0.910 0.000 2.929 363 T HA 0.251 4.651 4.350 0.084 0.000 0.284 363 T C -1.762 172.330 174.700 -1.014 0.000 1.014 363 T CA -2.036 59.277 62.100 -1.312 0.000 1.051 363 T CB 2.746 70.696 68.868 -1.529 0.000 1.028 363 T HN -0.160 nan 8.240 nan 0.000 0.485 364 P HA -0.103 nan 4.420 nan 0.000 0.216 364 P C 1.623 178.331 177.300 -0.987 0.000 1.153 364 P CA 1.690 64.127 63.100 -1.104 0.000 0.858 364 P CB -0.381 30.259 31.700 -1.767 0.000 0.789 365 A N 0.168 122.444 122.820 -0.907 0.000 1.877 365 A HA -0.089 4.282 4.320 0.084 0.000 0.216 365 A C 2.612 180.030 177.584 -0.278 0.000 1.186 365 A CA 2.231 54.033 52.037 -0.393 0.000 0.620 365 A CB -1.922 16.961 19.000 -0.196 0.000 0.822 365 A HN 0.291 nan 8.150 nan 0.000 0.443 366 G N 0.350 108.929 108.800 -0.369 0.000 2.418 366 G HA2 -0.245 3.765 3.960 0.084 0.000 0.217 366 G HA3 -0.245 3.765 3.960 0.084 0.000 0.217 366 G C 1.669 176.469 174.900 -0.166 0.000 1.158 366 G CA 1.407 46.356 45.100 -0.253 0.000 0.771 366 G HN 0.735 nan 8.290 nan 0.000 0.545 367 M N -0.520 118.935 119.600 -0.242 0.000 2.476 367 M HA 0.244 4.775 4.480 0.084 0.000 0.262 367 M C 2.185 178.448 176.300 -0.063 0.000 1.079 367 M CA 1.672 56.883 55.300 -0.149 0.000 1.104 367 M CB 0.056 32.543 32.600 -0.188 0.000 1.409 367 M HN 0.193 nan 8.290 nan 0.000 0.467 368 Q N 1.685 121.437 119.800 -0.080 0.000 2.331 368 Q HA 0.102 4.493 4.340 0.084 0.000 0.203 368 Q C -0.224 175.769 176.000 -0.013 0.000 0.944 368 Q CA 0.887 56.698 55.803 0.014 0.000 0.892 368 Q CB 0.025 28.816 28.738 0.089 0.000 0.983 368 Q HN 0.486 nan 8.270 nan 0.000 0.482 369 T N 1.944 116.455 114.554 -0.072 0.000 2.752 369 T HA 0.286 4.687 4.350 0.084 0.000 0.295 369 T C -0.619 174.023 174.700 -0.096 0.000 0.923 369 T CA -0.061 61.898 62.100 -0.235 0.000 1.112 369 T CB 0.380 68.988 68.868 -0.433 0.000 0.884 369 T HN 0.059 nan 8.240 nan 0.000 0.525 370 K N 3.495 123.800 120.400 -0.159 0.000 2.664 370 K HA 0.257 4.627 4.320 0.084 0.000 0.234 370 K C -1.320 175.287 176.600 0.011 0.000 0.980 370 K CA -0.659 55.610 56.287 -0.030 0.000 0.996 370 K CB 1.075 33.563 32.500 -0.020 0.000 1.190 370 K HN 0.454 nan 8.250 nan 0.000 0.479 371 Y N 2.021 122.419 120.300 0.163 0.000 2.316 371 Y HA 0.258 4.858 4.550 0.083 0.000 0.331 371 Y C -0.102 175.936 175.900 0.229 0.000 1.083 371 Y CA -0.744 57.467 58.100 0.184 0.000 1.206 371 Y CB 0.705 39.206 38.460 0.068 0.000 1.195 371 Y HN 0.300 nan 8.280 nan 0.000 0.497 372 L N 4.174 125.696 121.223 0.499 0.000 2.345 372 L HA 0.331 4.721 4.340 0.084 0.000 0.274 372 L C 0.605 177.776 176.870 0.501 0.000 0.999 372 L CA -0.308 54.780 54.840 0.413 0.000 0.849 372 L CB 1.364 43.620 42.059 0.329 0.000 1.220 372 L HN 0.556 nan 8.230 nan 0.000 0.422 373 D N 1.424 122.075 120.400 0.418 0.000 2.269 373 D HA -0.073 4.617 4.640 0.084 0.000 0.208 373 D C 1.997 178.521 176.300 0.373 0.000 0.963 373 D CA 0.792 55.043 54.000 0.418 0.000 0.864 373 D CB 0.495 41.485 40.800 0.316 0.000 0.936 373 D HN 0.290 nan 8.370 nan 0.000 0.505 374 V N 0.686 120.751 119.914 0.252 0.000 2.594 374 V HA -0.124 4.046 4.120 0.084 0.000 0.253 374 V C 2.322 178.514 176.094 0.164 0.000 1.069 374 V CA 1.747 64.135 62.300 0.147 0.000 1.082 374 V CB -0.673 31.190 31.823 0.066 0.000 0.680 374 V HN 0.247 nan 8.190 nan 0.000 0.469 375 G N -1.895 107.026 108.800 0.203 0.000 2.776 375 G HA2 -0.172 3.838 3.960 0.084 0.000 0.209 375 G HA3 -0.172 3.838 3.960 0.084 0.000 0.209 375 G C 0.690 175.514 174.900 -0.126 0.000 1.145 375 G CA 0.000 45.116 45.100 0.026 0.000 0.791 375 G HN 0.692 nan 8.290 nan 0.000 0.530 376 W N -0.761 120.640 121.300 0.169 0.000 2.467 376 W HA 0.457 5.169 4.660 0.085 0.000 0.369 376 W C 1.127 177.603 176.519 -0.072 0.000 0.938 376 W CA -0.601 56.846 57.345 0.170 0.000 1.845 376 W CB 0.208 29.737 29.460 0.115 0.000 1.167 376 W HN 0.237 nan 8.180 nan 0.000 0.558 377 G N 2.213 110.981 108.800 -0.053 0.000 2.385 377 G HA2 -0.317 3.693 3.960 0.084 0.000 0.294 377 G HA3 -0.317 3.693 3.960 0.084 0.000 0.294 377 G C 0.643 175.340 174.900 -0.338 0.000 1.070 377 G CA 0.103 44.840 45.100 -0.605 0.000 1.172 377 G HN 0.275 nan 8.290 nan 0.000 0.516 378 L N 0.836 121.988 121.223 -0.118 0.000 2.043 378 L HA 0.082 4.472 4.340 0.084 0.000 0.212 378 L C 2.495 179.264 176.870 -0.167 0.000 1.075 378 L CA 3.412 58.215 54.840 -0.062 0.000 0.752 378 L CB -0.679 41.371 42.059 -0.015 0.000 0.891 378 L HN 0.628 nan 8.230 nan 0.000 0.432 379 G N -2.744 105.909 108.800 -0.245 0.000 2.920 379 G HA2 -0.030 3.980 3.960 0.084 0.000 0.208 379 G HA3 -0.030 3.980 3.960 0.084 0.000 0.208 379 G C 1.253 175.814 174.900 -0.565 0.000 1.159 379 G CA 0.609 45.543 45.100 -0.277 0.000 0.784 379 G HN 0.469 nan 8.290 nan 0.000 0.535 380 S N -0.220 115.031 115.700 -0.749 0.000 2.511 380 S HA 0.045 4.565 4.470 0.084 0.000 0.214 380 S C 1.409 175.453 174.600 -0.927 0.000 0.997 380 S CA 0.288 57.750 58.200 -1.231 0.000 0.908 380 S CB 0.759 63.368 63.200 -0.984 0.000 0.803 380 S HN 0.391 nan 8.310 nan 0.000 0.504 381 V N 1.426 121.015 119.914 -0.543 0.000 2.955 381 V HA 0.308 4.479 4.120 0.084 0.000 0.379 381 V C 0.456 176.361 176.094 -0.316 0.000 1.288 381 V CA -0.491 61.578 62.300 -0.385 0.000 1.358 381 V CB -1.056 30.715 31.823 -0.087 0.000 1.406 381 V HN 0.353 nan 8.190 nan 0.000 0.569 382 T N -1.083 113.242 114.554 -0.381 0.000 3.945 382 T HA 0.334 4.734 4.350 0.084 0.000 0.306 382 T C 0.281 174.954 174.700 -0.045 0.000 1.475 382 T CA -0.258 61.772 62.100 -0.117 0.000 1.177 382 T CB -0.638 68.210 68.868 -0.034 0.000 1.272 382 T HN 0.576 nan 8.240 nan 0.000 0.930 383 H N 1.241 120.377 119.070 0.109 0.000 2.534 383 H HA 0.277 4.883 4.556 0.082 0.000 0.364 383 H C 0.490 175.881 175.328 0.104 0.000 1.328 383 H CA -0.581 55.525 56.048 0.097 0.000 1.415 383 H CB 0.748 30.521 29.762 0.018 0.000 1.573 383 H HN 0.647 nan 8.280 nan 0.000 0.601 384 E N 1.379 121.710 120.200 0.218 0.000 2.417 384 E HA 0.031 4.431 4.350 0.084 0.000 0.261 384 E C -0.466 176.260 176.600 0.209 0.000 1.000 384 E CA -0.281 56.161 56.400 0.070 0.000 0.919 384 E CB 0.222 29.756 29.700 -0.276 0.000 0.955 384 E HN 0.264 nan 8.360 nan 0.000 0.455 385 L N 3.726 125.056 121.223 0.179 0.000 2.367 385 L HA 0.235 4.625 4.340 0.084 0.000 0.275 385 L C 0.292 177.295 176.870 0.221 0.000 1.129 385 L CA -0.447 54.540 54.840 0.246 0.000 0.839 385 L CB 1.008 43.266 42.059 0.331 0.000 1.133 385 L HN 0.566 nan 8.230 nan 0.000 0.453 386 A N 6.160 129.158 122.820 0.296 0.000 2.302 386 A HA 0.552 4.922 4.320 0.084 0.000 0.295 386 A C -2.333 175.378 177.584 0.211 0.000 1.235 386 A CA -1.508 50.715 52.037 0.310 0.000 0.876 386 A CB -0.152 18.983 19.000 0.224 0.000 1.133 386 A HN 0.385 nan 8.150 nan 0.000 0.533 387 P HA 0.301 nan 4.420 nan 0.000 0.267 387 P C 1.130 178.588 177.300 0.265 0.000 1.205 387 P CA 1.627 64.772 63.100 0.075 0.000 0.765 387 P CB 0.991 32.548 31.700 -0.238 0.000 0.828 388 G N 2.488 111.407 108.800 0.198 0.000 2.234 388 G HA2 -0.273 3.737 3.960 0.084 0.000 0.235 388 G HA3 -0.273 3.737 3.960 0.084 0.000 0.235 388 G C 0.697 175.616 174.900 0.032 0.000 0.997 388 G CA 0.298 45.458 45.100 0.100 0.000 0.623 388 G HN 0.485 nan 8.290 nan 0.000 0.514 389 I N -0.395 120.208 120.570 0.056 0.000 3.518 389 I HA 0.201 4.421 4.170 0.084 0.000 0.260 389 I C 1.909 178.026 176.117 0.001 0.000 1.148 389 I CA 0.549 61.848 61.300 -0.000 0.000 1.440 389 I CB -0.163 37.825 38.000 -0.019 0.000 1.485 389 I HN -0.090 nan 8.210 nan 0.000 0.456 390 D N 0.736 121.170 120.400 0.055 0.000 2.162 390 D HA 0.031 4.722 4.640 0.084 0.000 0.203 390 D C 0.385 176.699 176.300 0.023 0.000 0.967 390 D CA 0.991 55.025 54.000 0.057 0.000 0.840 390 D CB 0.263 41.141 40.800 0.129 0.000 0.972 390 D HN 0.281 nan 8.370 nan 0.000 0.482 391 c N 0.209 118.825 118.600 0.028 0.000 2.971 391 c HA 0.473 5.093 4.570 0.084 0.000 0.310 391 c C -2.384 171.554 174.090 -0.253 0.000 1.285 391 c CA -1.742 54.432 56.329 -0.259 0.000 1.593 391 c CB 1.991 44.369 42.510 -0.220 0.000 2.076 391 c HN 0.042 nan 8.230 nan 0.000 0.472 392 P HA 0.170 nan 4.420 nan 0.000 0.270 392 P C 0.123 177.400 177.300 -0.038 0.000 1.223 392 P CA 0.293 63.229 63.100 -0.274 0.000 0.785 392 P CB 0.533 32.021 31.700 -0.354 0.000 0.923 393 E N -0.270 119.959 120.200 0.048 0.000 2.268 393 E HA -0.129 4.271 4.350 0.084 0.000 0.195 393 E C 1.444 178.138 176.600 0.156 0.000 0.995 393 E CA 1.627 58.115 56.400 0.147 0.000 0.836 393 E CB -0.894 28.867 29.700 0.101 0.000 0.763 393 E HN 0.578 nan 8.360 nan 0.000 0.491 394 T N -1.842 112.754 114.554 0.070 0.000 3.148 394 T HA 0.345 4.745 4.350 0.084 0.000 0.253 394 T C 0.892 175.627 174.700 0.058 0.000 1.134 394 T CA 0.102 62.244 62.100 0.071 0.000 1.051 394 T CB -0.021 68.880 68.868 0.056 0.000 0.959 394 T HN 0.131 nan 8.240 nan 0.000 0.525 395 A N 1.610 124.398 122.820 -0.053 0.000 2.386 395 A HA 0.505 4.875 4.320 0.084 0.000 0.248 395 A C 0.521 177.938 177.584 -0.278 0.000 1.082 395 A CA -0.403 51.492 52.037 -0.237 0.000 0.789 395 A CB 0.020 18.612 19.000 -0.680 0.000 1.025 395 A HN 0.357 nan 8.150 nan 0.000 0.490 396 T N 2.535 117.011 114.554 -0.131 0.000 2.729 396 T HA 0.461 4.861 4.350 0.084 0.000 0.296 396 T C -0.703 173.874 174.700 -0.206 0.000 0.928 396 T CA 0.483 62.570 62.100 -0.021 0.000 1.045 396 T CB -0.542 68.449 68.868 0.205 0.000 0.902 396 T HN 0.316 nan 8.240 nan 0.000 0.500 397 F N 3.223 123.238 119.950 0.109 0.000 2.404 397 F HA 0.568 5.145 4.527 0.083 0.000 0.339 397 F C -0.047 175.804 175.800 0.086 0.000 1.105 397 F CA -1.210 56.840 58.000 0.083 0.000 1.087 397 F CB 0.874 39.905 39.000 0.052 0.000 1.143 397 F HN 0.242 nan 8.300 nan 0.000 0.491 398 L N 3.126 124.487 121.223 0.230 0.000 2.346 398 L HA 0.467 4.857 4.340 0.084 0.000 0.276 398 L C -0.491 176.470 176.870 0.152 0.000 1.006 398 L CA -0.646 54.308 54.840 0.190 0.000 0.817 398 L CB 1.260 43.433 42.059 0.190 0.000 1.272 398 L HN 0.440 nan 8.230 nan 0.000 0.421 399 D N 0.235 120.715 120.400 0.133 0.000 2.348 399 D HA 0.615 5.305 4.640 0.084 0.000 0.249 399 D C -0.075 176.247 176.300 0.037 0.000 1.110 399 D CA -0.106 53.915 54.000 0.035 0.000 0.967 399 D CB 1.819 42.687 40.800 0.112 0.000 1.139 399 D HN 0.470 nan 8.370 nan 0.000 0.466 400 T N -0.444 114.045 114.554 -0.109 0.000 2.812 400 T HA 0.618 5.018 4.350 0.084 0.000 0.294 400 T C -1.672 172.874 174.700 -0.257 0.000 1.159 400 T CA -0.556 61.493 62.100 -0.085 0.000 1.008 400 T CB 0.413 69.183 68.868 -0.164 0.000 1.289 400 T HN 0.126 nan 8.240 nan 0.000 0.514 401 F N 2.028 121.903 119.950 -0.126 0.000 2.495 401 F HA 0.588 5.164 4.527 0.081 0.000 0.327 401 F C 0.407 176.056 175.800 -0.252 0.000 1.103 401 F CA -0.698 57.275 58.000 -0.045 0.000 0.949 401 F CB 1.639 40.685 39.000 0.078 0.000 1.142 401 F HN 0.452 nan 8.300 nan 0.000 0.457 402 H N 2.013 121.243 119.070 0.267 0.000 2.637 402 H HA 0.231 4.836 4.556 0.082 0.000 0.363 402 H C -1.644 173.845 175.328 0.268 0.000 1.131 402 H CA -0.790 55.345 56.048 0.146 0.000 1.183 402 H CB 2.294 31.972 29.762 -0.140 0.000 1.637 402 H HN 0.668 nan 8.280 nan 0.000 0.531 403 Y N 3.454 123.905 120.300 0.253 0.000 2.555 403 Y HA 0.278 4.873 4.550 0.076 0.000 0.326 403 Y C -1.721 174.238 175.900 0.098 0.000 0.984 403 Y CA -0.733 57.456 58.100 0.149 0.000 1.298 403 Y CB 0.389 38.897 38.460 0.081 0.000 1.094 403 Y HN 0.557 nan 8.280 nan 0.000 0.500 404 Y N 5.907 126.040 120.300 -0.280 0.000 2.315 404 Y HA 0.293 4.897 4.550 0.090 0.000 0.324 404 Y C -0.143 175.443 175.900 -0.523 0.000 1.062 404 Y CA -1.193 56.660 58.100 -0.413 0.000 1.159 404 Y CB 0.815 39.110 38.460 -0.275 0.000 1.145 404 Y HN 0.679 nan 8.280 nan 0.000 0.442 405 D N 3.545 123.264 120.400 -1.134 0.000 2.697 405 D HA -0.180 4.510 4.640 0.084 0.000 0.235 405 D C -1.320 174.806 176.300 -0.291 0.000 1.167 405 D CA 1.606 55.215 54.000 -0.652 0.000 0.656 405 D CB -0.839 39.747 40.800 -0.357 0.000 1.025 405 D HN 0.813 nan 8.370 nan 0.000 0.419 406 A N 0.156 122.694 122.820 -0.469 0.000 2.527 406 A HA 0.592 4.962 4.320 0.084 0.000 0.293 406 A C 0.660 178.066 177.584 -0.296 0.000 1.117 406 A CA -0.395 51.454 52.037 -0.314 0.000 0.723 406 A CB 1.355 20.184 19.000 -0.284 0.000 1.313 406 A HN 0.001 nan 8.150 nan 0.000 0.411 407 D N 0.298 120.644 120.400 -0.090 0.000 2.249 407 D HA 0.103 4.793 4.640 0.084 0.000 0.205 407 D C -0.242 176.053 176.300 -0.008 0.000 0.962 407 D CA 1.451 55.460 54.000 0.016 0.000 0.860 407 D CB 0.315 41.139 40.800 0.041 0.000 0.955 407 D HN 0.573 nan 8.370 nan 0.000 0.505 408 D N -1.216 119.166 120.400 -0.029 0.000 2.596 408 D HA 0.247 4.937 4.640 0.084 0.000 0.262 408 D C -2.700 173.692 176.300 0.154 0.000 1.210 408 D CA -1.424 52.589 54.000 0.022 0.000 0.873 408 D CB 2.257 43.063 40.800 0.009 0.000 1.408 408 D HN -0.244 nan 8.370 nan 0.000 0.441 409 P HA 0.088 nan 4.420 nan 0.000 0.268 409 P C -0.574 176.960 177.300 0.390 0.000 1.204 409 P CA -0.158 63.168 63.100 0.377 0.000 0.768 409 P CB 0.635 32.510 31.700 0.292 0.000 0.842 410 V N 3.701 123.875 119.914 0.434 0.000 2.417 410 V HA 0.186 4.356 4.120 0.084 0.000 0.291 410 V C 0.290 176.548 176.094 0.275 0.000 1.024 410 V CA -0.640 61.871 62.300 0.351 0.000 0.861 410 V CB 1.068 33.104 31.823 0.355 0.000 0.985 410 V HN 0.623 nan 8.190 nan 0.000 0.436 411 H N 4.769 123.761 119.070 -0.131 0.000 2.819 411 H HA 0.260 4.866 4.556 0.083 0.000 0.303 411 H C -1.623 173.535 175.328 -0.283 0.000 1.058 411 H CA -0.098 55.583 56.048 -0.613 0.000 1.471 411 H CB 0.512 29.954 29.762 -0.532 0.000 1.480 411 H HN 0.587 nan 8.280 nan 0.000 0.517 412 Y N 6.926 126.770 120.300 -0.760 0.000 2.402 412 Y HA 0.216 4.815 4.550 0.081 0.000 0.332 412 Y C -2.001 173.513 175.900 -0.644 0.000 0.960 412 Y CA -2.643 55.175 58.100 -0.470 0.000 1.228 412 Y CB 1.358 39.660 38.460 -0.264 0.000 1.120 412 Y HN 0.602 nan 8.280 nan 0.000 0.491 413 P HA 0.132 nan 4.420 nan 0.000 0.275 413 P C -0.543 176.685 177.300 -0.121 0.000 1.227 413 P CA -0.264 62.650 63.100 -0.310 0.000 0.781 413 P CB 0.841 32.419 31.700 -0.203 0.000 0.906 414 R N 1.223 121.705 120.500 -0.030 0.000 3.251 414 R HA -0.218 4.173 4.340 0.084 0.000 0.249 414 R C 1.063 177.437 176.300 0.123 0.000 0.949 414 R CA 0.436 56.592 56.100 0.094 0.000 0.645 414 R CB -2.370 27.929 30.300 -0.002 0.000 1.065 414 R HN 0.613 nan 8.270 nan 0.000 0.452 415 A N -0.048 122.827 122.820 0.092 0.000 1.968 415 A HA 0.092 4.463 4.320 0.084 0.000 0.217 415 A C 0.737 178.397 177.584 0.127 0.000 1.169 415 A CA 0.932 53.030 52.037 0.101 0.000 0.638 415 A CB 0.241 19.274 19.000 0.055 0.000 0.812 415 A HN 0.232 nan 8.150 nan 0.000 0.446 416 L N -2.367 118.935 121.223 0.132 0.000 2.303 416 L HA 0.640 5.030 4.340 0.084 0.000 0.256 416 L C -0.240 176.690 176.870 0.100 0.000 1.034 416 L CA -0.676 54.224 54.840 0.100 0.000 0.832 416 L CB 1.701 43.781 42.059 0.034 0.000 1.403 416 L HN 0.384 nan 8.230 nan 0.000 0.419 417 c N 0.129 118.739 118.600 0.017 0.000 3.173 417 c HA 0.923 5.543 4.570 0.084 0.000 0.310 417 c C -1.356 172.660 174.090 -0.123 0.000 1.306 417 c CA -0.944 55.329 56.329 -0.094 0.000 1.426 417 c CB 1.447 43.826 42.510 -0.219 0.000 1.800 417 c HN 0.803 nan 8.230 nan 0.000 0.470 418 L N 2.957 124.083 121.223 -0.163 0.000 2.438 418 L HA 0.948 5.338 4.340 0.084 0.000 0.270 418 L C -0.869 175.866 176.870 -0.226 0.000 0.972 418 L CA -0.321 54.317 54.840 -0.336 0.000 0.831 418 L CB 1.520 43.321 42.059 -0.430 0.000 1.273 418 L HN 0.982 nan 8.230 nan 0.000 0.405 419 F N 1.569 121.260 119.950 -0.431 0.000 2.678 419 F HA 0.657 5.234 4.527 0.083 0.000 0.308 419 F C -0.964 174.707 175.800 -0.215 0.000 1.118 419 F CA -0.885 56.987 58.000 -0.213 0.000 0.959 419 F CB 1.270 40.183 39.000 -0.144 0.000 1.305 419 F HN 0.556 nan 8.300 nan 0.000 0.443 420 E N 3.249 123.539 120.200 0.151 0.000 2.231 420 E HA 0.621 5.021 4.350 0.084 0.000 0.277 420 E C -1.510 175.224 176.600 0.223 0.000 0.999 420 E CA -1.013 55.424 56.400 0.062 0.000 0.827 420 E CB 1.721 31.539 29.700 0.196 0.000 1.101 420 E HN 0.855 nan 8.360 nan 0.000 0.393 421 M N 5.126 124.811 119.600 0.141 0.000 2.378 421 M HA 0.443 4.973 4.480 0.084 0.000 0.289 421 M C -2.646 173.721 176.300 0.112 0.000 1.136 421 M CA -2.215 53.193 55.300 0.181 0.000 0.917 421 M CB 2.430 35.190 32.600 0.265 0.000 1.669 421 M HN 0.247 nan 8.290 nan 0.000 0.461 422 P HA 0.165 nan 4.420 nan 0.000 0.271 422 P C 0.185 177.531 177.300 0.077 0.000 1.216 422 P CA -0.085 63.073 63.100 0.095 0.000 0.771 422 P CB 0.517 32.270 31.700 0.088 0.000 0.864 423 T N -0.932 113.668 114.554 0.078 0.000 3.088 423 T HA 0.159 4.559 4.350 0.084 0.000 0.259 423 T C 1.464 176.203 174.700 0.065 0.000 1.122 423 T CA 0.717 62.860 62.100 0.071 0.000 1.095 423 T CB -0.904 68.025 68.868 0.103 0.000 0.930 423 T HN 0.625 nan 8.240 nan 0.000 0.508 424 G N 0.323 109.163 108.800 0.067 0.000 2.179 424 G HA2 -0.204 3.807 3.960 0.084 0.000 0.260 424 G HA3 -0.204 3.807 3.960 0.084 0.000 0.260 424 G C 0.112 175.046 174.900 0.058 0.000 0.977 424 G CA 0.168 45.300 45.100 0.054 0.000 0.641 424 G HN 1.142 nan 8.290 nan 0.000 0.533 425 V N 1.779 121.737 119.914 0.074 0.000 2.709 425 V HA 0.771 4.942 4.120 0.084 0.000 0.308 425 V C -2.157 173.995 176.094 0.096 0.000 1.062 425 V CA -1.893 60.452 62.300 0.075 0.000 0.901 425 V CB 2.358 34.220 31.823 0.065 0.000 1.003 425 V HN 0.093 nan 8.190 nan 0.000 0.425 426 P HA 0.107 nan 4.420 nan 0.000 0.269 426 P C 0.807 178.169 177.300 0.103 0.000 1.209 426 P CA 0.042 63.208 63.100 0.110 0.000 0.776 426 P CB 1.124 32.898 31.700 0.122 0.000 0.876 427 L N 2.003 123.292 121.223 0.110 0.000 2.093 427 L HA -0.074 4.316 4.340 0.084 0.000 0.208 427 L C 1.068 177.976 176.870 0.063 0.000 1.085 427 L CA 1.443 56.344 54.840 0.101 0.000 0.755 427 L CB -0.037 42.093 42.059 0.118 0.000 0.904 427 L HN 0.526 nan 8.230 nan 0.000 0.435 428 R N -0.759 119.777 120.500 0.059 0.000 2.663 428 R HA 0.641 5.031 4.340 0.084 0.000 0.267 428 R C -1.370 174.956 176.300 0.042 0.000 1.038 428 R CA -1.038 55.087 56.100 0.042 0.000 0.886 428 R CB 1.216 31.527 30.300 0.018 0.000 1.249 428 R HN 0.064 nan 8.270 nan 0.000 0.463 429 R N 0.142 120.670 120.500 0.047 0.000 2.663 429 R HA 0.551 4.942 4.340 0.084 0.000 0.267 429 R C -1.909 174.435 176.300 0.074 0.000 1.038 429 R CA -1.075 55.030 56.100 0.009 0.000 0.886 429 R CB 1.210 31.576 30.300 0.112 0.000 1.249 429 R HN 0.858 nan 8.270 nan 0.000 0.463 430 H N 1.294 120.269 119.070 -0.159 0.000 3.026 430 H HA 0.474 5.080 4.556 0.084 0.000 0.352 430 H C -2.101 173.176 175.328 -0.084 0.000 1.090 430 H CA -1.108 54.900 56.048 -0.067 0.000 1.268 430 H CB 1.239 30.973 29.762 -0.046 0.000 1.816 430 H HN 0.603 nan 8.280 nan 0.000 0.518 431 F N 5.474 125.021 119.950 -0.671 0.000 2.334 431 F HA 0.321 4.898 4.527 0.084 0.000 0.367 431 F C -0.156 175.064 175.800 -0.966 0.000 1.115 431 F CA -0.437 57.242 58.000 -0.535 0.000 1.116 431 F CB 0.477 39.353 39.000 -0.207 0.000 1.230 431 F HN 0.598 nan 8.300 nan 0.000 0.484 432 N N 5.104 123.067 118.700 -1.228 0.000 2.719 432 N HA 0.004 4.794 4.740 0.084 0.000 0.243 432 N C -0.417 174.644 175.510 -0.749 0.000 1.104 432 N CA -0.016 52.485 53.050 -0.915 0.000 0.981 432 N CB 0.580 38.294 38.487 -1.288 0.000 1.290 432 N HN 0.572 nan 8.380 nan 0.000 0.513 433 S N 1.782 117.146 115.700 -0.560 0.000 2.568 433 S HA -0.015 4.505 4.470 0.084 0.000 0.282 433 S C 1.389 175.583 174.600 -0.677 0.000 1.338 433 S CA -0.460 57.416 58.200 -0.540 0.000 1.045 433 S CB 0.372 63.129 63.200 -0.737 0.000 0.873 433 S HN 0.742 nan 8.310 nan 0.000 0.516 434 N N 3.083 121.564 118.700 -0.366 0.000 2.336 434 N HA 0.034 4.824 4.740 0.084 0.000 0.189 434 N C 0.170 175.670 175.510 -0.017 0.000 1.113 434 N CA 0.053 53.007 53.050 -0.160 0.000 0.858 434 N CB -0.929 37.549 38.487 -0.014 0.000 0.970 434 N HN 0.671 nan 8.380 nan 0.000 0.471 435 F N -0.820 119.179 119.950 0.081 0.000 3.093 435 F HA -0.268 4.309 4.527 0.084 0.000 0.283 435 F C 0.201 176.034 175.800 0.056 0.000 0.848 435 F CA 0.770 58.809 58.000 0.066 0.000 1.059 435 F CB -2.012 37.017 39.000 0.048 0.000 1.191 435 F HN 0.198 nan 8.300 nan 0.000 0.514 436 K N -0.300 120.184 120.400 0.140 0.000 3.012 436 K HA 0.504 4.875 4.320 0.084 0.000 0.207 436 K C 1.021 177.670 176.600 0.082 0.000 1.130 436 K CA 0.278 56.631 56.287 0.109 0.000 1.021 436 K CB 0.955 33.514 32.500 0.098 0.000 0.736 436 K HN 0.324 nan 8.250 nan 0.000 0.448 437 G N -0.040 108.805 108.800 0.076 0.000 2.159 437 G HA2 -0.238 3.772 3.960 0.084 0.000 0.256 437 G HA3 -0.238 3.772 3.960 0.084 0.000 0.256 437 G C 0.323 175.271 174.900 0.080 0.000 0.977 437 G CA -0.029 45.108 45.100 0.062 0.000 0.652 437 G HN 0.591 nan 8.290 nan 0.000 0.531 438 G N -0.835 108.027 108.800 0.105 0.000 3.058 438 G HA2 0.949 4.959 3.960 0.084 0.000 0.282 438 G HA3 0.949 4.959 3.960 0.084 0.000 0.282 438 G C -0.682 174.345 174.900 0.212 0.000 1.248 438 G CA -0.426 44.779 45.100 0.175 0.000 0.822 438 G HN 1.378 nan 8.290 nan 0.000 0.579 439 F N -1.327 118.549 119.950 -0.123 0.000 2.626 439 F HA 0.598 5.175 4.527 0.084 0.000 0.311 439 F C 0.132 175.801 175.800 -0.218 0.000 1.088 439 F CA -1.335 56.457 58.000 -0.347 0.000 0.949 439 F CB 1.664 40.239 39.000 -0.708 0.000 1.322 439 F HN 0.270 nan 8.300 nan 0.000 0.461 440 N N 1.200 119.634 118.700 -0.442 0.000 2.336 440 N HA 0.161 4.951 4.740 0.084 0.000 0.177 440 N C -0.626 174.647 175.510 -0.394 0.000 1.018 440 N CA 1.275 54.135 53.050 -0.316 0.000 0.878 440 N CB 0.269 38.696 38.487 -0.100 0.000 0.997 440 N HN 0.682 nan 8.380 nan 0.000 0.433 441 F N -2.230 117.296 119.950 -0.706 0.000 2.770 441 F HA 0.424 5.001 4.527 0.084 0.000 0.313 441 F C -1.705 173.902 175.800 -0.321 0.000 1.154 441 F CA -1.725 55.811 58.000 -0.774 0.000 0.923 441 F CB 0.813 39.246 39.000 -0.945 0.000 1.301 441 F HN -0.184 nan 8.300 nan 0.000 0.449 442 Y N 1.788 122.098 120.300 0.017 0.000 2.364 442 Y HA 0.860 5.460 4.550 0.084 0.000 0.340 442 Y C -1.233 174.744 175.900 0.129 0.000 0.975 442 Y CA -0.976 57.146 58.100 0.036 0.000 1.089 442 Y CB 1.676 40.208 38.460 0.120 0.000 1.192 442 Y HN 1.079 nan 8.280 nan 0.000 0.454 443 A N 3.952 126.357 122.820 -0.692 0.000 2.371 443 A HA 0.908 5.278 4.320 0.084 0.000 0.311 443 A C -0.638 176.485 177.584 -0.767 0.000 1.068 443 A CA -0.179 51.571 52.037 -0.477 0.000 0.744 443 A CB 1.098 20.031 19.000 -0.112 0.000 1.239 443 A HN 1.254 nan 8.150 nan 0.000 0.435 444 G N -0.143 108.465 108.800 -0.319 0.000 2.718 444 G HA2 0.608 4.618 3.960 0.084 0.000 0.295 444 G HA3 0.608 4.618 3.960 0.084 0.000 0.295 444 G C -2.111 172.827 174.900 0.064 0.000 1.421 444 G CA -0.477 44.584 45.100 -0.063 0.000 0.902 444 G HN 1.239 nan 8.290 nan 0.000 0.501 445 L N 1.024 122.292 121.223 0.076 0.000 2.372 445 L HA 0.579 4.969 4.340 0.084 0.000 0.273 445 L C 0.375 177.312 176.870 0.113 0.000 0.989 445 L CA -0.991 53.902 54.840 0.088 0.000 0.841 445 L CB 1.445 43.538 42.059 0.056 0.000 1.225 445 L HN 0.602 nan 8.230 nan 0.000 0.414 446 K N 3.159 123.634 120.400 0.125 0.000 2.550 446 K HA 0.254 4.625 4.320 0.084 0.000 0.280 446 K C 0.222 176.900 176.600 0.130 0.000 0.987 446 K CA 0.615 56.978 56.287 0.125 0.000 1.048 446 K CB 0.357 32.931 32.500 0.122 0.000 0.879 446 K HN 0.913 nan 8.250 nan 0.000 0.491 447 G N 3.734 112.612 108.800 0.130 0.000 2.355 447 G HA2 0.186 4.196 3.960 0.084 0.000 0.276 447 G HA3 0.186 4.196 3.960 0.084 0.000 0.276 447 G C -0.890 174.099 174.900 0.147 0.000 1.198 447 G CA -0.436 44.753 45.100 0.148 0.000 0.876 447 G HN 0.552 nan 8.290 nan 0.000 0.478 448 Q N 0.289 120.192 119.800 0.173 0.000 2.421 448 Q HA 0.623 5.013 4.340 0.084 0.000 0.280 448 Q C -1.274 174.808 176.000 0.137 0.000 1.085 448 Q CA -0.824 55.078 55.803 0.165 0.000 0.807 448 Q CB 2.881 31.757 28.738 0.231 0.000 1.405 448 Q HN 0.448 nan 8.270 nan 0.000 0.419 449 V N 1.631 121.553 119.914 0.012 0.000 3.007 449 V HA 0.541 4.711 4.120 0.084 0.000 0.311 449 V C -1.635 174.303 176.094 -0.261 0.000 1.120 449 V CA -0.830 61.368 62.300 -0.170 0.000 0.980 449 V CB 2.532 34.053 31.823 -0.504 0.000 1.033 449 V HN 0.689 nan 8.190 nan 0.000 0.429 450 L N 5.740 126.717 121.223 -0.409 0.000 2.295 450 L HA 0.762 5.153 4.340 0.084 0.000 0.285 450 L C -0.871 175.677 176.870 -0.536 0.000 1.035 450 L CA 0.185 54.637 54.840 -0.647 0.000 0.806 450 L CB 1.664 43.141 42.059 -0.969 0.000 1.214 450 L HN 0.478 nan 8.230 nan 0.000 0.426 451 V N 6.098 125.538 119.914 -0.789 0.000 2.444 451 V HA 0.421 4.592 4.120 0.084 0.000 0.294 451 V C -0.584 175.108 176.094 -0.669 0.000 1.022 451 V CA -0.626 61.198 62.300 -0.794 0.000 0.850 451 V CB 1.514 32.579 31.823 -1.264 0.000 0.992 451 V HN 0.665 nan 8.190 nan 0.000 0.426 452 L N 6.118 127.147 121.223 -0.324 0.000 2.272 452 L HA 0.737 5.127 4.340 0.084 0.000 0.289 452 L C -0.258 176.542 176.870 -0.117 0.000 1.032 452 L CA 0.069 54.779 54.840 -0.217 0.000 0.810 452 L CB 1.002 43.016 42.059 -0.075 0.000 1.205 452 L HN 0.792 nan 8.230 nan 0.000 0.422 453 R N 3.131 123.587 120.500 -0.073 0.000 2.673 453 R HA 0.749 5.139 4.340 0.084 0.000 0.281 453 R C -1.259 175.094 176.300 0.088 0.000 0.991 453 R CA -0.380 55.742 56.100 0.035 0.000 0.896 453 R CB 2.039 32.401 30.300 0.104 0.000 1.201 453 R HN 0.723 nan 8.270 nan 0.000 0.457 454 T N 0.434 115.084 114.554 0.161 0.000 2.778 454 T HA 0.593 4.993 4.350 0.084 0.000 0.293 454 T C -1.143 173.729 174.700 0.287 0.000 1.144 454 T CA -0.305 61.911 62.100 0.195 0.000 1.010 454 T CB 1.617 70.583 68.868 0.164 0.000 1.325 454 T HN 0.780 nan 8.240 nan 0.000 0.515 455 T N -0.631 114.091 114.554 0.280 0.000 2.887 455 T HA 0.797 5.198 4.350 0.084 0.000 0.292 455 T C -0.949 173.955 174.700 0.341 0.000 1.087 455 T CA -0.702 61.580 62.100 0.303 0.000 1.009 455 T CB 1.423 70.400 68.868 0.182 0.000 1.203 455 T HN 0.891 nan 8.240 nan 0.000 0.518 456 S N -0.038 115.871 115.700 0.347 0.000 2.672 456 S HA 0.583 5.103 4.470 0.084 0.000 0.291 456 S C -0.901 173.760 174.600 0.102 0.000 1.145 456 S CA -0.785 57.562 58.200 0.246 0.000 1.013 456 S CB 1.346 64.779 63.200 0.388 0.000 1.017 456 S HN 0.802 nan 8.310 nan 0.000 0.487 457 T N 3.436 118.037 114.554 0.079 0.000 3.053 457 T HA 0.289 4.690 4.350 0.084 0.000 0.363 457 T C 1.226 175.948 174.700 0.037 0.000 1.239 457 T CA -0.518 61.591 62.100 0.016 0.000 1.071 457 T CB 0.905 69.817 68.868 0.073 0.000 1.089 457 T HN 0.503 nan 8.240 nan 0.000 0.527 458 V N 2.016 121.902 119.914 -0.047 0.000 2.358 458 V HA -0.065 4.105 4.120 0.084 0.000 0.246 458 V C 1.133 177.258 176.094 0.051 0.000 1.047 458 V CA 1.676 63.961 62.300 -0.026 0.000 1.035 458 V CB -0.393 31.325 31.823 -0.176 0.000 0.658 458 V HN 0.924 nan 8.190 nan 0.000 0.452 459 Y N -0.495 119.680 120.300 -0.208 0.000 2.690 459 Y HA 0.206 4.806 4.550 0.083 0.000 0.107 459 Y C 0.698 176.440 175.900 -0.263 0.000 0.952 459 Y CA -0.071 57.945 58.100 -0.140 0.000 1.854 459 Y CB 0.133 38.447 38.460 -0.243 0.000 1.185 459 Y HN 0.250 nan 8.280 nan 0.000 0.206 463 Y N 1.242 121.502 120.300 -0.066 0.000 2.320 463 Y HA 0.564 5.164 4.550 0.084 0.000 0.334 463 Y C 0.438 176.124 175.900 -0.356 0.000 1.055 463 Y CA -0.957 56.968 58.100 -0.291 0.000 1.143 463 Y CB 0.893 39.099 38.460 -0.423 0.000 1.193 463 Y HN 0.302 nan 8.280 nan 0.000 0.477 464 I N 3.398 123.838 120.570 -0.216 0.000 2.330 464 I HA 0.230 4.450 4.170 0.084 0.000 0.289 464 I C -1.158 174.807 176.117 -0.252 0.000 1.001 464 I CA -0.594 60.644 61.300 -0.104 0.000 1.193 464 I CB 0.733 38.745 38.000 0.019 0.000 1.345 464 I HN 0.510 nan 8.210 nan 0.000 0.461 465 W N 5.334 126.659 121.300 0.042 0.000 2.376 465 W HA 0.430 5.140 4.660 0.084 0.000 0.312 465 W C -0.554 175.855 176.519 -0.184 0.000 1.060 465 W CA -0.461 56.826 57.345 -0.095 0.000 1.221 465 W CB 1.057 30.457 29.460 -0.100 0.000 1.281 465 W HN 0.296 nan 8.180 nan 0.000 0.456 466 D N 2.507 122.832 120.400 -0.125 0.000 2.498 466 D HA 0.440 5.130 4.640 0.084 0.000 0.247 466 D C -1.161 174.776 176.300 -0.605 0.000 1.070 466 D CA -0.627 53.224 54.000 -0.249 0.000 0.842 466 D CB 1.545 42.252 40.800 -0.155 0.000 1.361 466 D HN 0.053 nan 8.370 nan 0.000 0.484 467 F N 1.285 121.088 119.950 -0.246 0.000 2.482 467 F HA 0.550 5.127 4.527 0.083 0.000 0.331 467 F C 0.143 175.535 175.800 -0.679 0.000 1.115 467 F CA -0.852 56.848 58.000 -0.499 0.000 0.955 467 F CB 1.493 40.221 39.000 -0.453 0.000 1.136 467 F HN 0.026 nan 8.300 nan 0.000 0.452 468 I N 3.588 123.691 120.570 -0.779 0.000 2.498 468 I HA 0.404 4.624 4.170 0.084 0.000 0.290 468 I C -1.305 174.186 176.117 -1.044 0.000 1.032 468 I CA -0.537 60.329 61.300 -0.723 0.000 1.073 468 I CB 1.790 39.489 38.000 -0.501 0.000 1.251 468 I HN 0.343 nan 8.210 nan 0.000 0.426 469 F N 5.397 125.031 119.950 -0.526 0.000 2.460 469 F HA 0.501 5.078 4.527 0.083 0.000 0.341 469 F C -0.504 175.251 175.800 -0.076 0.000 1.130 469 F CA -0.696 56.988 58.000 -0.527 0.000 0.962 469 F CB 0.936 39.299 39.000 -1.061 0.000 1.171 469 F HN 0.210 nan 8.300 nan 0.000 0.436 470 Y N 3.153 123.681 120.300 0.380 0.000 2.335 470 Y HA 0.337 4.937 4.550 0.084 0.000 0.323 470 Y C -1.547 174.770 175.900 0.695 0.000 1.224 470 Y CA -2.160 56.198 58.100 0.430 0.000 1.241 470 Y CB 0.690 39.297 38.460 0.244 0.000 1.235 470 Y HN 0.361 nan 8.280 nan 0.000 0.492 471 P HA -0.094 nan 4.420 nan 0.000 0.230 471 P C 0.281 177.778 177.300 0.329 0.000 1.158 471 P CA 1.165 64.547 63.100 0.470 0.000 0.769 471 P CB 0.190 32.042 31.700 0.254 0.000 0.807 472 N N -0.987 117.847 118.700 0.223 0.000 2.276 472 N HA 0.120 4.910 4.740 0.084 0.000 0.212 472 N C 1.083 176.388 175.510 -0.342 0.000 1.127 472 N CA 0.356 53.369 53.050 -0.060 0.000 0.834 472 N CB -0.706 37.766 38.487 -0.025 0.000 1.014 472 N HN 0.105 nan 8.380 nan 0.000 0.491 473 G N -0.715 107.849 108.800 -0.393 0.000 2.157 473 G HA2 -0.241 3.769 3.960 0.084 0.000 0.239 473 G HA3 -0.241 3.769 3.960 0.084 0.000 0.239 473 G C -0.443 174.599 174.900 0.237 0.000 0.982 473 G CA 0.160 44.815 45.100 -0.742 0.000 0.650 473 G HN 0.281 nan 8.290 nan 0.000 0.527 474 V N 2.143 122.285 119.914 0.381 0.000 2.461 474 V HA 0.698 4.868 4.120 0.084 0.000 0.275 474 V C 0.683 177.085 176.094 0.513 0.000 1.047 474 V CA 0.484 62.984 62.300 0.334 0.000 0.955 474 V CB 1.283 33.091 31.823 -0.025 0.000 0.988 474 V HN 0.622 nan 8.190 nan 0.000 0.471 475 M N 3.320 123.097 119.600 0.295 0.000 2.535 475 M HA 0.809 5.340 4.480 0.084 0.000 0.314 475 M C -0.784 175.407 176.300 -0.182 0.000 1.153 475 M CA -0.442 54.785 55.300 -0.121 0.000 0.924 475 M CB 2.356 34.656 32.600 -0.501 0.000 1.710 475 M HN 0.584 nan 8.290 nan 0.000 0.451 476 E N 1.723 121.715 120.200 -0.347 0.000 2.266 476 E HA 0.782 5.182 4.350 0.084 0.000 0.268 476 E C -1.861 174.399 176.600 -0.567 0.000 0.879 476 E CA -0.987 55.182 56.400 -0.385 0.000 0.762 476 E CB 2.323 31.915 29.700 -0.179 0.000 1.199 476 E HN 0.939 nan 8.360 nan 0.000 0.422 477 A N 4.101 126.403 122.820 -0.864 0.000 2.317 477 A HA 0.638 5.008 4.320 0.084 0.000 0.327 477 A C -0.864 176.309 177.584 -0.685 0.000 1.178 477 A CA -0.563 50.939 52.037 -0.891 0.000 0.817 477 A CB 1.133 19.320 19.000 -1.355 0.000 1.189 477 A HN 0.546 nan 8.150 nan 0.000 0.489 478 K N 1.770 121.866 120.400 -0.506 0.000 2.523 478 K HA 0.576 4.946 4.320 0.084 0.000 0.257 478 K C -1.675 174.722 176.600 -0.338 0.000 0.932 478 K CA -0.528 55.519 56.287 -0.400 0.000 0.812 478 K CB 1.895 34.138 32.500 -0.428 0.000 1.326 478 K HN 0.800 nan 8.250 nan 0.000 0.433 479 M N 4.473 123.835 119.600 -0.397 0.000 2.326 479 M HA 0.358 4.889 4.480 0.084 0.000 0.306 479 M C -1.686 174.261 176.300 -0.588 0.000 1.054 479 M CA -0.523 54.448 55.300 -0.548 0.000 0.922 479 M CB 1.323 33.542 32.600 -0.636 0.000 1.632 479 M HN 0.742 nan 8.290 nan 0.000 0.436 480 H N 2.832 121.711 119.070 -0.319 0.000 2.469 480 H HA 0.616 5.222 4.556 0.083 0.000 0.342 480 H C -0.703 174.537 175.328 -0.145 0.000 1.115 480 H CA -0.731 55.192 56.048 -0.207 0.000 1.204 480 H CB 1.733 31.403 29.762 -0.154 0.000 1.492 480 H HN 0.796 nan 8.280 nan 0.000 0.499 481 A N 2.634 125.478 122.820 0.040 0.000 2.290 481 A HA 0.520 4.890 4.320 0.084 0.000 0.310 481 A C 0.383 178.017 177.584 0.084 0.000 1.202 481 A CA -0.311 51.818 52.037 0.154 0.000 0.837 481 A CB 1.241 20.338 19.000 0.162 0.000 1.139 481 A HN 0.716 nan 8.150 nan 0.000 0.509 482 T N 0.633 115.228 114.554 0.068 0.000 2.618 482 T HA 0.760 5.160 4.350 0.084 0.000 0.293 482 T C 0.386 175.066 174.700 -0.033 0.000 1.093 482 T CA 1.116 63.220 62.100 0.007 0.000 1.061 482 T CB 0.687 69.543 68.868 -0.021 0.000 1.498 482 T HN 2.696 nan 8.240 nan 0.000 0.494 483 G N 0.115 108.865 108.800 -0.083 0.000 2.568 483 G HA2 -0.118 3.892 3.960 0.084 0.000 0.222 483 G HA3 -0.118 3.892 3.960 0.084 0.000 0.222 483 G C -1.353 173.419 174.900 -0.212 0.000 1.321 483 G CA -0.054 44.956 45.100 -0.150 0.000 0.893 483 G HN 0.853 nan 8.290 nan 0.000 0.569 484 Y N 0.150 120.330 120.300 -0.200 0.000 2.334 484 Y HA 0.474 5.075 4.550 0.084 0.000 0.328 484 Y C 1.345 177.164 175.900 -0.134 0.000 1.130 484 Y CA -0.048 57.939 58.100 -0.189 0.000 1.163 484 Y CB 1.511 39.746 38.460 -0.375 0.000 1.207 484 Y HN 0.783 nan 8.280 nan 0.000 0.471 485 V N -0.064 119.945 119.914 0.159 0.000 3.096 485 V HA 0.106 4.276 4.120 0.084 0.000 0.306 485 V C -0.073 176.117 176.094 0.160 0.000 1.088 485 V CA -0.737 61.668 62.300 0.174 0.000 1.129 485 V CB 0.531 32.460 31.823 0.176 0.000 1.014 485 V HN 0.806 nan 8.190 nan 0.000 0.486 486 H N 2.696 121.785 119.070 0.031 0.000 2.878 486 H HA 0.680 5.287 4.556 0.084 0.000 0.290 486 H C 0.075 175.406 175.328 0.006 0.000 1.065 486 H CA 0.656 56.688 56.048 -0.027 0.000 1.477 486 H CB 0.245 29.857 29.762 -0.249 0.000 1.484 486 H HN 1.235 nan 8.280 nan 0.000 0.504 487 A N 4.073 126.796 122.820 -0.161 0.000 2.454 487 A HA 0.711 5.082 4.320 0.084 0.000 0.302 487 A C -0.366 177.157 177.584 -0.102 0.000 1.079 487 A CA -0.161 51.833 52.037 -0.072 0.000 0.731 487 A CB 1.250 20.297 19.000 0.078 0.000 1.299 487 A HN 0.807 nan 8.150 nan 0.000 0.413 488 T N -1.974 112.581 114.554 0.001 0.000 2.864 488 T HA 0.666 5.066 4.350 0.084 0.000 0.289 488 T C -0.510 174.333 174.700 0.239 0.000 1.082 488 T CA -0.550 61.583 62.100 0.056 0.000 1.009 488 T CB 0.779 69.596 68.868 -0.085 0.000 1.234 488 T HN 0.811 nan 8.240 nan 0.000 0.526 489 F N 1.928 121.955 119.950 0.128 0.000 2.484 489 F HA 0.414 4.992 4.527 0.084 0.000 0.360 489 F C 0.071 176.076 175.800 0.343 0.000 1.101 489 F CA -1.224 56.914 58.000 0.229 0.000 1.251 489 F CB 0.315 39.448 39.000 0.221 0.000 1.132 489 F HN 0.690 nan 8.300 nan 0.000 0.570 490 Y N 6.066 126.139 120.300 -0.378 0.000 2.465 490 Y HA 0.354 4.954 4.550 0.083 0.000 0.331 490 Y C 0.110 175.907 175.900 -0.172 0.000 1.102 490 Y CA 0.224 58.187 58.100 -0.227 0.000 1.358 490 Y CB 0.233 38.522 38.460 -0.284 0.000 1.213 490 Y HN 0.730 nan 8.280 nan 0.000 0.525 491 T N 3.480 117.574 114.554 -0.766 0.000 2.906 491 T HA 0.407 4.807 4.350 0.084 0.000 0.295 491 T C -2.338 171.714 174.700 -1.080 0.000 1.075 491 T CA -2.250 59.350 62.100 -0.833 0.000 1.005 491 T CB 2.009 70.819 68.868 -0.096 0.000 1.136 491 T HN 0.303 nan 8.240 nan 0.000 0.498 492 P HA -0.082 nan 4.420 nan 0.000 0.216 492 P C 1.057 178.241 177.300 -0.194 0.000 1.150 492 P CA 1.150 64.084 63.100 -0.277 0.000 0.843 492 P CB 0.039 31.686 31.700 -0.089 0.000 0.787 493 E N -0.838 119.274 120.200 -0.146 0.000 2.265 493 E HA -0.081 4.319 4.350 0.084 0.000 0.196 493 E C 2.179 178.705 176.600 -0.123 0.000 0.996 493 E CA 1.306 57.678 56.400 -0.048 0.000 0.832 493 E CB -1.379 28.369 29.700 0.079 0.000 0.756 493 E HN 0.266 nan 8.360 nan 0.000 0.491 494 G N 0.187 108.685 108.800 -0.503 0.000 2.471 494 G HA2 -0.187 3.824 3.960 0.084 0.000 0.219 494 G HA3 -0.187 3.824 3.960 0.084 0.000 0.219 494 G C 1.326 176.051 174.900 -0.291 0.000 1.125 494 G CA 0.200 44.743 45.100 -0.928 0.000 0.775 494 G HN 0.226 nan 8.290 nan 0.000 0.548 495 L N -0.260 120.862 121.223 -0.169 0.000 2.362 495 L HA 0.043 4.433 4.340 0.084 0.000 0.219 495 L C 2.839 179.652 176.870 -0.094 0.000 1.134 495 L CA 0.363 55.163 54.840 -0.068 0.000 0.807 495 L CB -0.161 41.889 42.059 -0.014 0.000 0.927 495 L HN 0.181 nan 8.230 nan 0.000 0.447 496 R N -0.945 119.461 120.500 -0.158 0.000 2.280 496 R HA -0.026 4.364 4.340 0.084 0.000 0.207 496 R C 0.695 176.673 176.300 -0.536 0.000 1.043 496 R CA 0.637 56.538 56.100 -0.331 0.000 1.006 496 R CB -0.013 30.038 30.300 -0.416 0.000 0.885 496 R HN 0.506 nan 8.270 nan 0.000 0.467 497 H N -1.135 117.925 119.070 -0.017 0.000 2.649 497 H HA 0.369 4.975 4.556 0.084 0.000 0.258 497 H C 0.585 175.942 175.328 0.048 0.000 1.165 497 H CA 0.383 56.449 56.048 0.029 0.000 1.006 497 H CB 1.427 31.231 29.762 0.071 0.000 1.743 497 H HN 0.294 nan 8.280 nan 0.000 0.609 498 G N 0.084 108.937 108.800 0.089 0.000 2.327 498 G HA2 0.168 4.178 3.960 0.084 0.000 0.291 498 G HA3 0.168 4.178 3.960 0.084 0.000 0.291 498 G C -1.424 173.510 174.900 0.058 0.000 1.290 498 G CA -0.674 44.483 45.100 0.094 0.000 0.857 498 G HN 0.012 nan 8.290 nan 0.000 0.520 499 T N 0.374 114.972 114.554 0.073 0.000 2.861 499 T HA 0.572 4.973 4.350 0.084 0.000 0.287 499 T C 0.058 174.788 174.700 0.051 0.000 1.003 499 T CA -0.610 61.525 62.100 0.058 0.000 0.977 499 T CB 1.915 70.828 68.868 0.075 0.000 0.996 499 T HN 0.645 nan 8.240 nan 0.000 0.448 500 R N 2.951 123.461 120.500 0.017 0.000 2.370 500 R HA 0.272 4.663 4.340 0.084 0.000 0.309 500 R C 0.334 176.587 176.300 -0.079 0.000 1.059 500 R CA -0.051 56.015 56.100 -0.055 0.000 0.981 500 R CB 0.101 30.274 30.300 -0.213 0.000 0.972 500 R HN 0.653 nan 8.270 nan 0.000 0.437 501 L N 3.042 124.225 121.223 -0.067 0.000 2.672 501 L HA 0.275 4.666 4.340 0.084 0.000 0.236 501 L C 0.822 177.634 176.870 -0.097 0.000 1.092 501 L CA -0.094 54.716 54.840 -0.050 0.000 0.887 501 L CB 0.128 42.195 42.059 0.013 0.000 1.168 501 L HN 0.673 nan 8.230 nan 0.000 0.502 502 H N -1.708 117.175 119.070 -0.311 0.000 2.863 502 H HA 0.089 4.695 4.556 0.084 0.000 0.274 502 H C 0.149 175.198 175.328 -0.466 0.000 1.457 502 H CA 0.030 55.795 56.048 -0.472 0.000 1.151 502 H CB 1.485 30.764 29.762 -0.806 0.000 1.844 502 H HN -0.293 nan 8.280 nan 0.000 0.562 503 T N 0.036 114.253 114.554 -0.561 0.000 2.684 503 T HA -0.127 4.273 4.350 0.084 0.000 0.267 503 T C 0.907 175.247 174.700 -0.601 0.000 1.036 503 T CA 1.461 63.189 62.100 -0.620 0.000 1.148 503 T CB -0.226 68.233 68.868 -0.681 0.000 0.863 503 T HN 0.413 nan 8.240 nan 0.000 0.436 504 H N -0.609 118.383 119.070 -0.130 0.000 2.528 504 H HA 0.499 5.106 4.556 0.084 0.000 0.282 504 H C -0.554 174.697 175.328 -0.128 0.000 1.097 504 H CA -0.485 55.454 56.048 -0.181 0.000 1.121 504 H CB 0.153 29.904 29.762 -0.017 0.000 1.590 504 H HN 0.178 nan 8.280 nan 0.000 0.553 505 L N 1.461 122.693 121.223 0.014 0.000 2.381 505 L HA 0.435 4.825 4.340 0.084 0.000 0.274 505 L C -1.131 175.792 176.870 0.089 0.000 0.988 505 L CA -0.528 54.359 54.840 0.078 0.000 0.824 505 L CB 1.717 43.808 42.059 0.053 0.000 1.263 505 L HN -0.064 nan 8.230 nan 0.000 0.410 506 I N 4.055 124.716 120.570 0.152 0.000 2.378 506 I HA 0.399 4.620 4.170 0.084 0.000 0.291 506 I C 0.533 176.725 176.117 0.125 0.000 0.992 506 I CA -0.427 60.963 61.300 0.150 0.000 1.154 506 I CB 1.748 39.864 38.000 0.193 0.000 1.315 506 I HN 0.785 nan 8.210 nan 0.000 0.448 507 G N 5.600 114.464 108.800 0.107 0.000 2.356 507 G HA2 0.226 4.236 3.960 0.084 0.000 0.300 507 G HA3 0.226 4.236 3.960 0.084 0.000 0.300 507 G C -0.083 174.906 174.900 0.150 0.000 1.107 507 G CA -0.423 44.745 45.100 0.114 0.000 0.960 507 G HN 0.619 nan 8.290 nan 0.000 0.418 508 N N 1.149 119.963 118.700 0.191 0.000 2.513 508 N HA 0.105 4.895 4.740 0.084 0.000 0.268 508 N C 0.519 176.244 175.510 0.358 0.000 1.180 508 N CA -0.360 52.853 53.050 0.272 0.000 0.948 508 N CB 1.643 40.316 38.487 0.312 0.000 1.083 508 N HN 0.578 nan 8.380 nan 0.000 0.455 509 I N 3.266 123.986 120.570 0.250 0.000 2.752 509 I HA -0.009 4.211 4.170 0.084 0.000 0.287 509 I C -0.024 176.169 176.117 0.126 0.000 1.188 509 I CA 0.349 61.736 61.300 0.145 0.000 1.427 509 I CB 0.074 38.122 38.000 0.080 0.000 1.365 509 I HN 0.691 nan 8.210 nan 0.000 0.585 510 H N 2.758 121.698 119.070 -0.216 0.000 3.003 510 H HA 0.381 4.988 4.556 0.084 0.000 0.327 510 H C -1.666 173.451 175.328 -0.350 0.000 1.353 510 H CA -1.039 54.720 56.048 -0.482 0.000 1.142 510 H CB 0.870 29.895 29.762 -1.228 0.000 1.864 510 H HN 0.398 nan 8.280 nan 0.000 0.529 511 T N 2.101 116.449 114.554 -0.342 0.000 2.807 511 T HA 0.276 4.676 4.350 0.084 0.000 0.279 511 T C -0.314 174.189 174.700 -0.329 0.000 0.993 511 T CA -0.680 61.232 62.100 -0.313 0.000 0.970 511 T CB 0.752 69.493 68.868 -0.211 0.000 0.950 511 T HN 0.428 nan 8.240 nan 0.000 0.441 512 H N 2.999 121.837 119.070 -0.388 0.000 2.527 512 H HA 0.494 5.100 4.556 0.083 0.000 0.321 512 H C -0.485 174.727 175.328 -0.195 0.000 1.087 512 H CA -0.280 55.581 56.048 -0.312 0.000 1.337 512 H CB 1.172 30.562 29.762 -0.620 0.000 1.440 512 H HN 0.322 nan 8.280 nan 0.000 0.490 513 L N 3.085 124.375 121.223 0.112 0.000 2.408 513 L HA 0.443 4.834 4.340 0.084 0.000 0.268 513 L C -0.632 176.445 176.870 0.345 0.000 0.986 513 L CA -0.923 54.060 54.840 0.240 0.000 0.820 513 L CB 2.518 44.728 42.059 0.252 0.000 1.303 513 L HN 0.260 nan 8.230 nan 0.000 0.411 514 V N 1.074 121.188 119.914 0.333 0.000 2.656 514 V HA 0.414 4.584 4.120 0.084 0.000 0.307 514 V C -0.856 175.314 176.094 0.125 0.000 1.051 514 V CA -0.568 61.845 62.300 0.189 0.000 0.893 514 V CB 2.134 34.054 31.823 0.161 0.000 0.999 514 V HN 0.674 nan 8.190 nan 0.000 0.426 515 H N 3.249 122.063 119.070 -0.428 0.000 2.466 515 H HA 0.568 5.174 4.556 0.083 0.000 0.338 515 H C -1.739 173.381 175.328 -0.347 0.000 1.091 515 H CA -0.450 55.284 56.048 -0.524 0.000 1.207 515 H CB 1.565 30.512 29.762 -1.358 0.000 1.466 515 H HN 0.615 nan 8.280 nan 0.000 0.493 516 Y N 2.461 122.566 120.300 -0.326 0.000 2.429 516 Y HA 0.276 4.877 4.550 0.084 0.000 0.342 516 Y C 0.232 175.887 175.900 -0.407 0.000 1.004 516 Y CA -0.835 57.134 58.100 -0.219 0.000 1.075 516 Y CB 1.553 40.029 38.460 0.028 0.000 1.214 516 Y HN 0.445 nan 8.280 nan 0.000 0.455 517 R N 2.183 122.589 120.500 -0.155 0.000 2.294 517 R HA 0.652 5.042 4.340 0.084 0.000 0.319 517 R C -1.881 174.214 176.300 -0.343 0.000 0.984 517 R CA -0.475 55.348 56.100 -0.462 0.000 0.861 517 R CB 0.729 30.737 30.300 -0.487 0.000 1.104 517 R HN 0.570 nan 8.270 nan 0.000 0.451 518 V N 4.444 124.070 119.914 -0.480 0.000 2.289 518 V HA 0.102 4.272 4.120 0.084 0.000 0.272 518 V C -0.513 175.346 176.094 -0.391 0.000 1.026 518 V CA -0.776 61.303 62.300 -0.368 0.000 0.807 518 V CB 1.001 32.559 31.823 -0.441 0.000 1.044 518 V HN 0.709 nan 8.190 nan 0.000 0.443 519 D N 4.716 124.956 120.400 -0.266 0.000 2.563 519 D HA 0.263 4.953 4.640 0.084 0.000 0.222 519 D C 0.171 176.391 176.300 -0.133 0.000 1.145 519 D CA -0.080 53.823 54.000 -0.162 0.000 1.001 519 D CB 0.199 41.005 40.800 0.009 0.000 1.049 519 D HN 0.442 nan 8.370 nan 0.000 0.515 520 L N 2.139 123.224 121.223 -0.231 0.000 2.416 520 L HA 0.203 4.593 4.340 0.084 0.000 0.272 520 L C 0.168 176.983 176.870 -0.092 0.000 1.161 520 L CA 0.113 54.833 54.840 -0.201 0.000 0.845 520 L CB 0.617 42.486 42.059 -0.316 0.000 1.119 520 L HN 0.150 nan 8.230 nan 0.000 0.464 521 D N 2.515 122.880 120.400 -0.059 0.000 2.441 521 D HA 0.191 4.881 4.640 0.084 0.000 0.287 521 D C -0.496 175.805 176.300 0.002 0.000 1.198 521 D CA -0.211 53.780 54.000 -0.014 0.000 0.894 521 D CB 1.383 42.177 40.800 -0.010 0.000 1.070 521 D HN 0.028 nan 8.370 nan 0.000 0.499 522 V N 1.516 121.467 119.914 0.062 0.000 2.409 522 V HA 0.264 4.434 4.120 0.084 0.000 0.270 522 V C 1.346 177.574 176.094 0.223 0.000 1.019 522 V CA 0.121 62.511 62.300 0.151 0.000 1.066 522 V CB 0.168 32.151 31.823 0.268 0.000 1.021 522 V HN 0.736 nan 8.190 nan 0.000 0.476 523 A N 3.633 126.612 122.820 0.265 0.000 2.816 523 A HA 0.071 4.441 4.320 0.084 0.000 0.270 523 A C 1.072 178.701 177.584 0.076 0.000 1.413 523 A CA 1.265 53.411 52.037 0.183 0.000 0.866 523 A CB -1.515 17.540 19.000 0.093 0.000 1.032 523 A HN 2.614 nan 8.150 nan 0.000 0.642 524 G N -4.159 104.673 108.800 0.054 0.000 2.326 524 G HA2 0.435 4.445 3.960 0.084 0.000 0.413 524 G HA3 0.435 4.445 3.960 0.084 0.000 0.413 524 G C 0.334 175.246 174.900 0.020 0.000 1.444 524 G CA 0.778 45.895 45.100 0.030 0.000 1.002 524 G HN 1.564 nan 8.290 nan 0.000 0.649 525 T N -0.676 113.875 114.554 -0.005 0.000 2.821 525 T HA 0.046 4.447 4.350 0.084 0.000 0.267 525 T C 1.025 175.727 174.700 0.004 0.000 1.046 525 T CA 1.949 64.031 62.100 -0.031 0.000 1.139 525 T CB -0.402 68.424 68.868 -0.071 0.000 0.871 525 T HN 0.409 nan 8.240 nan 0.000 0.454 526 K N 2.527 122.940 120.400 0.022 0.000 2.253 526 K HA 0.384 4.754 4.320 0.084 0.000 0.277 526 K C -0.821 175.820 176.600 0.068 0.000 1.053 526 K CA -0.182 56.129 56.287 0.039 0.000 0.892 526 K CB 0.977 33.494 32.500 0.027 0.000 1.102 526 K HN 0.431 nan 8.250 nan 0.000 0.469 527 N N 0.173 118.931 118.700 0.096 0.000 2.509 527 N HA 0.385 5.175 4.740 0.084 0.000 0.280 527 N C -1.245 174.350 175.510 0.140 0.000 1.306 527 N CA -0.728 52.407 53.050 0.142 0.000 0.782 527 N CB 2.042 40.657 38.487 0.213 0.000 1.493 527 N HN 0.247 nan 8.380 nan 0.000 0.498 528 S N 0.078 115.868 115.700 0.150 0.000 2.671 528 S HA 0.558 5.078 4.470 0.084 0.000 0.299 528 S C -1.711 172.979 174.600 0.150 0.000 1.116 528 S CA -0.555 57.726 58.200 0.134 0.000 0.912 528 S CB 1.271 64.517 63.200 0.077 0.000 1.130 528 S HN 0.434 nan 8.310 nan 0.000 0.501 529 F N 2.894 122.807 119.950 -0.062 0.000 2.467 529 F HA 0.604 5.181 4.527 0.084 0.000 0.336 529 F C -0.455 175.299 175.800 -0.077 0.000 1.123 529 F CA -0.430 57.406 58.000 -0.274 0.000 0.964 529 F CB 1.050 39.823 39.000 -0.379 0.000 1.136 529 F HN 0.644 nan 8.300 nan 0.000 0.447 530 Q N 3.072 122.366 119.800 -0.843 0.000 2.495 530 Q HA 0.769 5.159 4.340 0.084 0.000 0.287 530 Q C -1.676 173.901 176.000 -0.706 0.000 1.078 530 Q CA -1.072 54.412 55.803 -0.532 0.000 0.793 530 Q CB 2.447 31.078 28.738 -0.179 0.000 1.459 530 Q HN 0.668 nan 8.270 nan 0.000 0.422 531 T N -0.778 113.625 114.554 -0.251 0.000 2.906 531 T HA 0.745 5.145 4.350 0.084 0.000 0.295 531 T C -0.630 174.040 174.700 -0.050 0.000 1.061 531 T CA -0.846 61.161 62.100 -0.155 0.000 1.000 531 T CB 1.056 69.929 68.868 0.009 0.000 1.103 531 T HN 0.551 nan 8.240 nan 0.000 0.486 532 L N 1.077 122.278 121.223 -0.036 0.000 2.362 532 L HA 0.859 5.249 4.340 0.084 0.000 0.271 532 L C 0.225 177.096 176.870 0.000 0.000 1.002 532 L CA -0.963 53.841 54.840 -0.059 0.000 0.818 532 L CB 1.601 43.536 42.059 -0.207 0.000 1.298 532 L HN 1.039 nan 8.230 nan 0.000 0.420 533 Q N 2.844 122.640 119.800 -0.007 0.000 2.451 533 Q HA 0.685 5.075 4.340 0.084 0.000 0.281 533 Q C -1.099 174.899 176.000 -0.003 0.000 1.099 533 Q CA -0.783 55.034 55.803 0.023 0.000 0.806 533 Q CB 2.925 31.688 28.738 0.042 0.000 1.419 533 Q HN 0.642 nan 8.270 nan 0.000 0.427 534 M N 1.918 121.526 119.600 0.014 0.000 2.233 534 M HA 0.582 5.112 4.480 0.084 0.000 0.355 534 M C -0.923 175.387 176.300 0.016 0.000 1.191 534 M CA -0.304 55.001 55.300 0.008 0.000 1.101 534 M CB 1.155 33.765 32.600 0.017 0.000 1.592 534 M HN 0.709 nan 8.290 nan 0.000 0.461 535 K N 5.868 126.275 120.400 0.012 0.000 2.464 535 K HA 0.630 5.000 4.320 0.084 0.000 0.253 535 K C -1.521 175.087 176.600 0.013 0.000 0.933 535 K CA -0.673 55.623 56.287 0.015 0.000 0.801 535 K CB 1.762 34.270 32.500 0.013 0.000 1.271 535 K HN 0.871 nan 8.250 nan 0.000 0.430 536 L N 3.389 124.620 121.223 0.014 0.000 2.395 536 L HA 0.477 4.867 4.340 0.084 0.000 0.269 536 L C 0.870 177.746 176.870 0.010 0.000 1.133 536 L CA -0.297 54.550 54.840 0.013 0.000 0.812 536 L CB 0.975 43.042 42.059 0.013 0.000 1.125 536 L HN 0.868 nan 8.230 nan 0.000 0.452 537 E N 1.648 121.854 120.200 0.009 0.000 2.263 537 E HA 0.368 4.768 4.350 0.084 0.000 0.264 537 E C -1.123 175.480 176.600 0.005 0.000 0.923 537 E CA -0.980 55.425 56.400 0.007 0.000 0.802 537 E CB 2.055 31.759 29.700 0.007 0.000 1.228 537 E HN 0.384 nan 8.360 nan 0.000 0.417 538 N N 2.239 120.940 118.700 0.002 0.000 2.573 538 N HA 0.292 5.082 4.740 0.084 0.000 0.262 538 N C -1.149 174.357 175.510 -0.007 0.000 1.029 538 N CA -0.661 52.388 53.050 -0.002 0.000 0.882 538 N CB 0.689 39.175 38.487 -0.003 0.000 1.204 538 N HN 0.711 nan 8.380 nan 0.000 0.519 539 I N -1.134 119.430 120.570 -0.010 0.000 3.067 539 I HA 0.639 4.860 4.170 0.084 0.000 0.312 539 I C -0.092 176.007 176.117 -0.030 0.000 1.073 539 I CA -0.788 60.503 61.300 -0.015 0.000 1.016 539 I CB 1.764 39.760 38.000 -0.007 0.000 1.227 539 I HN 0.056 nan 8.210 nan 0.000 0.456 540 T N 2.714 117.247 114.554 -0.035 0.000 2.888 540 T HA 0.035 4.435 4.350 0.084 0.000 0.301 540 T C 0.338 174.991 174.700 -0.079 0.000 1.001 540 T CA -0.022 62.045 62.100 -0.056 0.000 1.147 540 T CB -0.240 68.599 68.868 -0.048 0.000 0.931 540 T HN 0.583 nan 8.240 nan 0.000 0.541 541 N N 4.888 123.506 118.700 -0.136 0.000 2.429 541 N HA 0.010 4.800 4.740 0.084 0.000 0.271 541 N C -1.305 174.062 175.510 -0.238 0.000 1.272 541 N CA -1.936 50.957 53.050 -0.263 0.000 0.921 541 N CB 1.064 39.279 38.487 -0.452 0.000 1.128 541 N HN 0.281 nan 8.380 nan 0.000 0.481 542 P HA -0.053 nan 4.420 nan 0.000 0.230 542 P C 0.771 178.126 177.300 0.092 0.000 1.158 542 P CA 1.082 64.189 63.100 0.013 0.000 0.769 542 P CB -0.131 31.624 31.700 0.093 0.000 0.807 543 W N -1.789 119.525 121.300 0.023 0.000 3.008 543 W HA 0.536 5.246 4.660 0.084 0.000 0.355 543 W C -0.430 176.110 176.519 0.036 0.000 1.095 543 W CA -0.270 57.087 57.345 0.021 0.000 1.738 543 W CB -0.217 29.248 29.460 0.009 0.000 1.091 543 W HN -0.089 nan 8.180 nan 0.000 0.574 544 S N 2.243 117.739 115.700 -0.339 0.000 2.413 544 S HA 0.319 4.840 4.470 0.084 0.000 0.170 544 S C -1.921 172.609 174.600 -0.117 0.000 1.294 544 S CA -0.739 57.336 58.200 -0.208 0.000 1.201 544 S CB 0.748 63.691 63.200 -0.428 0.000 1.328 544 S HN -0.277 nan 8.310 nan 0.000 0.418 545 P HA 0.006 nan 4.420 nan 0.000 0.225 545 P C 0.992 178.219 177.300 -0.121 0.000 1.148 545 P CA 0.594 63.644 63.100 -0.083 0.000 0.779 545 P CB 0.036 31.707 31.700 -0.048 0.000 0.780 546 R N -1.746 118.651 120.500 -0.172 0.000 2.328 546 R HA -0.007 4.384 4.340 0.084 0.000 0.207 546 R C 0.330 176.288 176.300 -0.569 0.000 1.056 546 R CA 0.558 56.447 56.100 -0.351 0.000 1.016 546 R CB -0.499 29.552 30.300 -0.415 0.000 0.872 546 R HN 0.461 nan 8.270 nan 0.000 0.471 547 H N -0.969 118.011 119.070 -0.149 0.000 2.754 547 H HA 0.453 5.060 4.556 0.084 0.000 0.352 547 H C -0.206 175.026 175.328 -0.159 0.000 1.213 547 H CA -0.948 55.005 56.048 -0.158 0.000 1.244 547 H CB 1.005 30.637 29.762 -0.217 0.000 1.843 547 H HN -0.271 nan 8.280 nan 0.000 0.587 548 R N 0.551 121.055 120.500 0.007 0.000 2.778 548 R HA 0.521 4.911 4.340 0.084 0.000 0.277 548 R C -1.200 175.075 176.300 -0.042 0.000 0.977 548 R CA -1.045 55.036 56.100 -0.033 0.000 0.950 548 R CB 2.044 32.332 30.300 -0.019 0.000 1.165 548 R HN 0.311 nan 8.270 nan 0.000 0.474 549 V N 2.360 122.249 119.914 -0.041 0.000 2.357 549 V HA 0.298 4.468 4.120 0.084 0.000 0.284 549 V C -0.272 175.820 176.094 -0.003 0.000 1.018 549 V CA -0.769 61.520 62.300 -0.018 0.000 0.841 549 V CB 1.911 33.730 31.823 -0.007 0.000 0.991 549 V HN 0.397 nan 8.190 nan 0.000 0.437 550 V N 6.935 126.852 119.914 0.004 0.000 2.334 550 V HA 0.573 4.743 4.120 0.084 0.000 0.281 550 V C -0.112 175.991 176.094 0.014 0.000 1.016 550 V CA -0.310 61.995 62.300 0.008 0.000 0.832 550 V CB 1.180 33.008 31.823 0.007 0.000 0.999 550 V HN 1.057 nan 8.190 nan 0.000 0.439 551 Q N 5.061 124.870 119.800 0.015 0.000 2.511 551 Q HA 0.653 5.043 4.340 0.084 0.000 0.289 551 Q C -3.150 172.860 176.000 0.016 0.000 1.021 551 Q CA -2.346 53.468 55.803 0.019 0.000 0.785 551 Q CB 2.465 31.218 28.738 0.025 0.000 1.472 551 Q HN 0.309 nan 8.270 nan 0.000 0.411 552 P HA 0.048 nan 4.420 nan 0.000 0.265 552 P C -0.788 176.518 177.300 0.009 0.000 1.193 552 P CA 0.421 63.529 63.100 0.013 0.000 0.765 552 P CB 0.690 32.397 31.700 0.012 0.000 0.823 553 T N 0.397 114.955 114.554 0.006 0.000 2.916 553 T HA 0.612 5.012 4.350 0.084 0.000 0.292 553 T C -0.840 173.857 174.700 -0.005 0.000 1.064 553 T CA -0.980 61.122 62.100 0.003 0.000 1.011 553 T CB 0.980 69.852 68.868 0.005 0.000 1.152 553 T HN 0.149 nan 8.240 nan 0.000 0.510 554 L N 1.441 122.658 121.223 -0.009 0.000 2.272 554 L HA 0.604 4.995 4.340 0.084 0.000 0.289 554 L C -0.119 176.742 176.870 -0.015 0.000 1.032 554 L CA -0.411 54.416 54.840 -0.023 0.000 0.810 554 L CB 0.683 42.727 42.059 -0.025 0.000 1.205 554 L HN 0.937 nan 8.230 nan 0.000 0.422 555 E N 3.748 123.937 120.200 -0.019 0.000 2.176 555 E HA 0.652 5.052 4.350 0.084 0.000 0.267 555 E C -1.228 175.361 176.600 -0.019 0.000 0.893 555 E CA -0.462 55.931 56.400 -0.012 0.000 0.761 555 E CB 1.386 31.084 29.700 -0.003 0.000 1.133 555 E HN 0.775 nan 8.360 nan 0.000 0.409 556 Q N 2.105 121.894 119.800 -0.018 0.000 2.282 556 Q HA 0.488 4.878 4.340 0.084 0.000 0.260 556 Q C -0.720 175.258 176.000 -0.038 0.000 0.964 556 Q CA -0.632 55.156 55.803 -0.024 0.000 0.880 556 Q CB 1.816 30.546 28.738 -0.013 0.000 1.286 556 Q HN 0.577 nan 8.270 nan 0.000 0.445 557 T N 2.839 117.366 114.554 -0.045 0.000 2.824 557 T HA 0.509 4.909 4.350 0.084 0.000 0.282 557 T C -0.704 173.904 174.700 -0.153 0.000 0.993 557 T CA -0.581 61.444 62.100 -0.124 0.000 0.967 557 T CB 1.286 70.064 68.868 -0.151 0.000 0.960 557 T HN 0.664 nan 8.240 nan 0.000 0.441 558 Q N 1.786 121.459 119.800 -0.212 0.000 2.214 558 Q HA 0.483 4.873 4.340 0.084 0.000 0.251 558 Q C -1.229 174.601 176.000 -0.283 0.000 0.936 558 Q CA -0.544 55.186 55.803 -0.122 0.000 0.894 558 Q CB 1.494 30.187 28.738 -0.075 0.000 1.252 558 Q HN 0.660 nan 8.270 nan 0.000 0.448 559 Y N -0.570 119.721 120.300 -0.015 0.000 2.361 559 Y HA 0.253 4.853 4.550 0.084 0.000 0.337 559 Y C 0.834 176.706 175.900 -0.047 0.000 0.965 559 Y CA -0.420 57.710 58.100 0.050 0.000 1.091 559 Y CB 2.169 40.773 38.460 0.240 0.000 1.182 559 Y HN 0.541 nan 8.280 nan 0.000 0.450 560 S N 1.456 117.116 115.700 -0.066 0.000 2.497 560 S HA 0.113 4.633 4.470 0.084 0.000 0.221 560 S C -0.685 173.501 174.600 -0.690 0.000 1.037 560 S CA 0.045 57.951 58.200 -0.490 0.000 0.920 560 S CB 0.245 62.978 63.200 -0.778 0.000 0.800 560 S HN 0.621 nan 8.310 nan 0.000 0.505 561 W N 1.477 122.846 121.300 0.115 0.000 2.819 561 W HA 0.482 5.192 4.660 0.083 0.000 0.337 561 W C 0.793 177.359 176.519 0.078 0.000 1.077 561 W CA -0.869 56.522 57.345 0.077 0.000 1.226 561 W CB 0.737 30.222 29.460 0.041 0.000 1.419 561 W HN -0.074 nan 8.180 nan 0.000 0.502 562 E N 0.616 120.988 120.200 0.287 0.000 2.108 562 E HA -0.360 4.040 4.350 0.084 0.000 0.203 562 E C 2.026 178.681 176.600 0.092 0.000 1.022 562 E CA 1.883 58.373 56.400 0.150 0.000 0.823 562 E CB 0.017 29.785 29.700 0.113 0.000 0.744 562 E HN 0.260 nan 8.360 nan 0.000 0.456 563 R N 1.307 121.872 120.500 0.109 0.000 2.120 563 R HA -0.155 4.236 4.340 0.084 0.000 0.234 563 R C 1.953 178.275 176.300 0.038 0.000 1.123 563 R CA 1.662 57.789 56.100 0.044 0.000 0.975 563 R CB -0.245 30.077 30.300 0.036 0.000 0.866 563 R HN 0.264 nan 8.270 nan 0.000 0.446 564 Q N -1.042 118.838 119.800 0.134 0.000 2.167 564 Q HA 0.007 4.397 4.340 0.084 0.000 0.202 564 Q C 1.310 177.350 176.000 0.066 0.000 0.970 564 Q CA 1.443 57.343 55.803 0.161 0.000 0.855 564 Q CB 0.023 28.947 28.738 0.311 0.000 0.911 564 Q HN 0.425 nan 8.270 nan 0.000 0.438 565 A N 0.220 123.038 122.820 -0.004 0.000 2.379 565 A HA 0.446 4.816 4.320 0.084 0.000 0.236 565 A C 0.550 177.944 177.584 -0.317 0.000 1.272 565 A CA -0.019 51.865 52.037 -0.255 0.000 0.886 565 A CB 0.273 19.153 19.000 -0.201 0.000 0.962 565 A HN 0.194 nan 8.150 nan 0.000 0.504 566 A N 0.388 123.029 122.820 -0.298 0.000 2.478 566 A HA 0.637 5.007 4.320 0.084 0.000 0.327 566 A C -0.811 176.728 177.584 -0.076 0.000 1.431 566 A CA -0.359 51.557 52.037 -0.202 0.000 1.014 566 A CB -0.629 18.186 19.000 -0.308 0.000 1.143 566 A HN 0.262 nan 8.150 nan 0.000 0.532 567 F N 2.147 122.199 119.950 0.170 0.000 2.411 567 F HA 0.403 4.980 4.527 0.083 0.000 0.355 567 F C 1.115 177.022 175.800 0.178 0.000 1.117 567 F CA -0.003 58.095 58.000 0.163 0.000 1.139 567 F CB 1.103 40.151 39.000 0.081 0.000 1.120 567 F HN 0.527 nan 8.300 nan 0.000 0.493 568 R N 2.147 122.800 120.500 0.256 0.000 2.577 568 R HA 0.286 4.676 4.340 0.084 0.000 0.269 568 R C 0.806 177.110 176.300 0.007 0.000 1.084 568 R CA -0.565 55.568 56.100 0.054 0.000 1.163 568 R CB 0.557 30.892 30.300 0.058 0.000 1.100 568 R HN 0.605 nan 8.270 nan 0.000 0.547 569 F N 1.343 121.335 119.950 0.070 0.000 2.216 569 F HA -0.210 4.367 4.527 0.083 0.000 0.300 569 F C 2.711 178.551 175.800 0.067 0.000 1.085 569 F CA 1.950 59.989 58.000 0.065 0.000 1.326 569 F CB -0.224 38.787 39.000 0.019 0.000 1.027 569 F HN 0.642 nan 8.300 nan 0.000 0.497 570 K N 0.825 121.354 120.400 0.214 0.000 2.097 570 K HA -0.079 4.291 4.320 0.084 0.000 0.205 570 K C 1.247 177.932 176.600 0.142 0.000 1.050 570 K CA 0.952 57.328 56.287 0.148 0.000 0.938 570 K CB -0.835 31.729 32.500 0.107 0.000 0.718 570 K HN 0.242 nan 8.250 nan 0.000 0.442 571 R N 0.770 121.365 120.500 0.159 0.000 2.594 571 R HA 0.346 4.736 4.340 0.084 0.000 0.272 571 R C 0.066 176.481 176.300 0.192 0.000 1.074 571 R CA 0.402 56.611 56.100 0.182 0.000 1.105 571 R CB 0.457 30.895 30.300 0.230 0.000 1.008 571 R HN 0.381 nan 8.270 nan 0.000 0.472 572 K N 4.120 124.627 120.400 0.177 0.000 2.412 572 K HA 0.070 4.441 4.320 0.084 0.000 0.284 572 K C -0.423 176.277 176.600 0.168 0.000 1.046 572 K CA -0.205 56.171 56.287 0.148 0.000 0.999 572 K CB 0.318 32.893 32.500 0.124 0.000 0.941 572 K HN 0.429 nan 8.250 nan 0.000 0.474 573 L N 5.014 126.287 121.223 0.083 0.000 2.281 573 L HA 0.375 4.765 4.340 0.084 0.000 0.285 573 L C -2.125 174.719 176.870 -0.044 0.000 1.074 573 L CA -1.983 52.827 54.840 -0.051 0.000 0.817 573 L CB 1.035 43.032 42.059 -0.103 0.000 1.168 573 L HN 0.583 nan 8.230 nan 0.000 0.434 574 P HA 0.148 nan 4.420 nan 0.000 0.270 574 P C -0.013 177.272 177.300 -0.026 0.000 1.223 574 P CA -0.292 62.811 63.100 0.005 0.000 0.785 574 P CB 0.546 32.272 31.700 0.042 0.000 0.923 575 K N 0.349 120.773 120.400 0.040 0.000 2.296 575 K HA 0.004 4.375 4.320 0.084 0.000 0.200 575 K C 0.035 176.570 176.600 -0.109 0.000 1.048 575 K CA 1.146 57.439 56.287 0.009 0.000 0.966 575 K CB -0.116 32.450 32.500 0.110 0.000 0.754 575 K HN 0.495 nan 8.250 nan 0.000 0.466 576 Y N 0.674 120.901 120.300 -0.120 0.000 2.345 576 Y HA 0.323 4.923 4.550 0.084 0.000 0.331 576 Y C -0.217 175.554 175.900 -0.215 0.000 0.959 576 Y CA -0.653 57.327 58.100 -0.199 0.000 1.204 576 Y CB 1.049 39.337 38.460 -0.286 0.000 1.135 576 Y HN -0.228 nan 8.280 nan 0.000 0.477 577 L N 6.062 127.218 121.223 -0.111 0.000 2.277 577 L HA 0.498 4.889 4.340 0.084 0.000 0.284 577 L C -0.869 175.974 176.870 -0.045 0.000 1.028 577 L CA -0.279 54.526 54.840 -0.058 0.000 0.835 577 L CB 0.610 42.703 42.059 0.057 0.000 1.215 577 L HN 0.461 nan 8.230 nan 0.000 0.425 578 L N 3.433 124.492 121.223 -0.272 0.000 2.341 578 L HA 0.528 4.919 4.340 0.084 0.000 0.278 578 L C -0.882 175.810 176.870 -0.297 0.000 1.005 578 L CA -0.446 54.291 54.840 -0.172 0.000 0.818 578 L CB 1.827 43.769 42.059 -0.195 0.000 1.259 578 L HN 0.336 nan 8.230 nan 0.000 0.418 579 F N 1.097 121.161 119.950 0.190 0.000 2.388 579 F HA 0.435 5.013 4.527 0.084 0.000 0.358 579 F C 0.690 176.609 175.800 0.198 0.000 1.122 579 F CA -0.602 57.529 58.000 0.219 0.000 1.056 579 F CB 1.863 40.980 39.000 0.194 0.000 1.155 579 F HN 0.343 nan 8.300 nan 0.000 0.461 580 T N -0.627 114.074 114.554 0.246 0.000 2.885 580 T HA 0.614 5.014 4.350 0.084 0.000 0.285 580 T C -0.309 174.499 174.700 0.180 0.000 1.019 580 T CA -0.867 61.354 62.100 0.202 0.000 1.010 580 T CB 1.810 70.752 68.868 0.123 0.000 1.022 580 T HN 0.463 nan 8.240 nan 0.000 0.466 581 S N 1.680 117.479 115.700 0.164 0.000 2.654 581 S HA 0.535 5.055 4.470 0.084 0.000 0.283 581 S C -1.704 172.935 174.600 0.064 0.000 1.180 581 S CA -1.911 56.354 58.200 0.109 0.000 1.021 581 S CB 0.827 64.082 63.200 0.092 0.000 1.018 581 S HN 0.601 nan 8.310 nan 0.000 0.532 582 P HA 0.002 nan 4.420 nan 0.000 0.223 582 P C -0.249 177.047 177.300 -0.005 0.000 1.151 582 P CA 0.714 63.824 63.100 0.016 0.000 0.787 582 P CB -0.014 31.692 31.700 0.009 0.000 0.788 583 Q N 0.653 120.442 119.800 -0.019 0.000 2.361 583 Q HA 0.068 4.458 4.340 0.084 0.000 0.276 583 Q C 0.075 176.036 176.000 -0.064 0.000 1.022 583 Q CA 0.628 56.397 55.803 -0.057 0.000 0.898 583 Q CB 0.346 29.029 28.738 -0.093 0.000 1.246 583 Q HN 0.322 nan 8.270 nan 0.000 0.410 584 E N 1.751 121.903 120.200 -0.081 0.000 2.212 584 E HA 0.134 4.535 4.350 0.084 0.000 0.270 584 E C -0.422 176.099 176.600 -0.132 0.000 0.956 584 E CA -0.859 55.492 56.400 -0.081 0.000 0.825 584 E CB 0.977 30.631 29.700 -0.076 0.000 1.167 584 E HN 0.536 nan 8.360 nan 0.000 0.400 585 N N 1.531 120.159 118.700 -0.119 0.000 2.327 585 N HA 0.093 4.883 4.740 0.084 0.000 0.257 585 N C -2.139 173.183 175.510 -0.314 0.000 1.281 585 N CA -1.507 51.428 53.050 -0.192 0.000 0.942 585 N CB -0.208 38.217 38.487 -0.103 0.000 1.199 585 N HN 0.051 nan 8.380 nan 0.000 0.532 586 P HA 0.008 nan 4.420 nan 0.000 0.228 586 P C 0.033 176.800 177.300 -0.888 0.000 1.151 586 P CA 1.208 63.787 63.100 -0.869 0.000 0.770 586 P CB -0.109 30.816 31.700 -1.292 0.000 0.786 587 W N -1.558 119.744 121.300 0.004 0.000 3.316 587 W HA 0.431 5.141 4.660 0.084 0.000 0.327 587 W C 1.138 177.637 176.519 -0.033 0.000 1.232 587 W CA 0.032 57.392 57.345 0.025 0.000 1.805 587 W CB -0.373 29.142 29.460 0.091 0.000 1.090 587 W HN -0.064 nan 8.180 nan 0.000 0.654 588 G N 0.669 109.465 108.800 -0.008 0.000 2.137 588 G HA2 -0.256 3.755 3.960 0.084 0.000 0.237 588 G HA3 -0.256 3.755 3.960 0.084 0.000 0.237 588 G C -0.086 174.678 174.900 -0.227 0.000 1.002 588 G CA -0.287 44.742 45.100 -0.117 0.000 0.702 588 G HN 0.430 nan 8.290 nan 0.000 0.515 589 H N 0.069 119.157 119.070 0.031 0.000 2.499 589 H HA 0.366 4.972 4.556 0.084 0.000 0.340 589 H C 0.439 175.775 175.328 0.014 0.000 1.148 589 H CA -0.540 55.527 56.048 0.031 0.000 1.215 589 H CB 1.273 31.054 29.762 0.030 0.000 1.529 589 H HN 0.147 nan 8.280 nan 0.000 0.510 590 K N 2.352 122.844 120.400 0.153 0.000 2.412 590 K HA 0.085 4.455 4.320 0.084 0.000 0.281 590 K C 0.206 176.883 176.600 0.128 0.000 1.027 590 K CA -0.077 56.273 56.287 0.106 0.000 0.989 590 K CB 0.800 33.366 32.500 0.110 0.000 0.935 590 K HN 0.341 nan 8.250 nan 0.000 0.475 591 R N 1.835 122.371 120.500 0.061 0.000 2.370 591 R HA 0.046 4.436 4.340 0.084 0.000 0.309 591 R C 0.113 176.578 176.300 0.275 0.000 1.059 591 R CA -0.022 56.115 56.100 0.062 0.000 0.981 591 R CB 0.476 30.650 30.300 -0.211 0.000 0.972 591 R HN 0.686 nan 8.270 nan 0.000 0.437 592 S N 2.274 118.221 115.700 0.411 0.000 2.651 592 S HA 0.488 5.009 4.470 0.084 0.000 0.279 592 S C -1.469 173.389 174.600 0.429 0.000 1.148 592 S CA -0.906 57.557 58.200 0.440 0.000 0.837 592 S CB 1.334 64.751 63.200 0.362 0.000 1.138 592 S HN 0.472 nan 8.310 nan 0.000 0.478 593 Y N 0.439 120.887 120.300 0.246 0.000 2.446 593 Y HA 0.641 5.242 4.550 0.084 0.000 0.345 593 Y C 0.306 176.337 175.900 0.219 0.000 0.984 593 Y CA -0.682 57.515 58.100 0.162 0.000 1.058 593 Y CB 1.973 40.453 38.460 0.033 0.000 1.220 593 Y HN 0.847 nan 8.280 nan 0.000 0.455 594 R N 3.704 124.324 120.500 0.199 0.000 2.460 594 R HA 0.570 4.960 4.340 0.084 0.000 0.303 594 R C -1.857 174.542 176.300 0.166 0.000 0.968 594 R CA -0.924 55.247 56.100 0.118 0.000 0.889 594 R CB 1.068 31.342 30.300 -0.044 0.000 1.123 594 R HN 0.667 nan 8.270 nan 0.000 0.455 595 L N 3.561 124.893 121.223 0.181 0.000 2.282 595 L HA 0.367 4.757 4.340 0.084 0.000 0.288 595 L C -1.056 175.843 176.870 0.049 0.000 1.033 595 L CA 0.130 55.059 54.840 0.148 0.000 0.807 595 L CB 1.545 43.713 42.059 0.182 0.000 1.209 595 L HN 0.688 nan 8.230 nan 0.000 0.423 596 Q N 5.395 125.232 119.800 0.061 0.000 2.309 596 Q HA 0.517 4.907 4.340 0.084 0.000 0.270 596 Q C -1.585 174.470 176.000 0.091 0.000 1.023 596 Q CA -0.499 55.311 55.803 0.012 0.000 0.758 596 Q CB 1.383 30.097 28.738 -0.040 0.000 1.247 596 Q HN 0.780 nan 8.270 nan 0.000 0.455 597 I N 3.330 123.944 120.570 0.074 0.000 2.331 597 I HA 0.225 4.445 4.170 0.084 0.000 0.292 597 I C -0.165 176.033 176.117 0.135 0.000 0.998 597 I CA -0.671 60.706 61.300 0.128 0.000 1.267 597 I CB 1.112 39.157 38.000 0.076 0.000 1.386 597 I HN 0.554 nan 8.210 nan 0.000 0.476 598 H N 6.047 125.158 119.070 0.069 0.000 2.623 598 H HA 0.503 5.109 4.556 0.083 0.000 0.299 598 H C -1.296 174.074 175.328 0.069 0.000 1.052 598 H CA 0.020 56.089 56.048 0.036 0.000 1.231 598 H CB 1.348 31.102 29.762 -0.014 0.000 1.389 598 H HN 0.617 nan 8.280 nan 0.000 0.469 599 S N 4.032 119.598 115.700 -0.223 0.000 2.547 599 S HA 0.316 4.836 4.470 0.084 0.000 0.270 599 S C -0.482 174.074 174.600 -0.072 0.000 1.150 599 S CA -0.655 57.514 58.200 -0.053 0.000 0.850 599 S CB 1.177 64.455 63.200 0.131 0.000 1.118 599 S HN 0.641 nan 8.310 nan 0.000 0.461 600 M N 2.665 122.276 119.600 0.017 0.000 2.589 600 M HA 0.475 5.005 4.480 0.084 0.000 0.344 600 M C 0.338 176.661 176.300 0.037 0.000 1.168 600 M CA -0.014 55.299 55.300 0.022 0.000 0.956 600 M CB 0.560 33.174 32.600 0.023 0.000 1.370 600 M HN 0.614 nan 8.290 nan 0.000 0.518 601 A N 0.214 123.074 122.820 0.065 0.000 2.346 601 A HA 0.538 4.908 4.320 0.084 0.000 0.252 601 A C -0.039 177.273 177.584 -0.454 0.000 1.089 601 A CA 0.070 52.053 52.037 -0.091 0.000 0.797 601 A CB 0.398 19.439 19.000 0.067 0.000 1.047 601 A HN 0.357 nan 8.150 nan 0.000 0.494 602 D N -1.504 118.377 120.400 -0.867 0.000 2.677 602 D HA 0.330 5.020 4.640 0.084 0.000 0.298 602 D C -1.053 174.574 176.300 -1.122 0.000 1.250 602 D CA -0.428 52.862 54.000 -1.184 0.000 0.888 602 D CB 1.335 41.868 40.800 -0.446 0.000 1.397 602 D HN 0.418 nan 8.370 nan 0.000 0.461 603 Q N 0.577 119.977 119.800 -0.667 0.000 2.255 603 Q HA 0.233 4.623 4.340 0.084 0.000 0.280 603 Q C 0.006 175.874 176.000 -0.221 0.000 1.068 603 Q CA 0.468 56.108 55.803 -0.272 0.000 0.911 603 Q CB 0.959 29.658 28.738 -0.064 0.000 1.157 603 Q HN 0.265 nan 8.270 nan 0.000 0.380 604 V N 4.198 123.996 119.914 -0.193 0.000 2.602 604 V HA 0.134 4.304 4.120 0.084 0.000 0.235 604 V C 0.671 176.706 176.094 -0.099 0.000 1.087 604 V CA 0.412 62.621 62.300 -0.150 0.000 1.117 604 V CB -0.155 31.573 31.823 -0.160 0.000 0.820 604 V HN 0.634 nan 8.190 nan 0.000 0.490 605 L N 1.325 122.495 121.223 -0.089 0.000 2.379 605 L HA 0.401 4.791 4.340 0.084 0.000 0.269 605 L C -2.468 174.391 176.870 -0.019 0.000 1.084 605 L CA -1.764 53.056 54.840 -0.034 0.000 0.802 605 L CB 0.927 42.980 42.059 -0.009 0.000 1.175 605 L HN 0.128 nan 8.230 nan 0.000 0.448 606 P HA 0.153 nan 4.420 nan 0.000 0.271 606 P C -2.493 174.846 177.300 0.065 0.000 1.226 606 P CA -1.193 61.919 63.100 0.019 0.000 0.765 606 P CB -0.019 31.675 31.700 -0.010 0.000 0.835 607 P HA 0.034 nan 4.420 nan 0.000 0.261 607 P C 1.097 178.443 177.300 0.077 0.000 1.183 607 P CA 1.450 64.565 63.100 0.024 0.000 0.761 607 P CB 0.039 31.740 31.700 0.001 0.000 0.785 608 G N 2.157 111.004 108.800 0.078 0.000 2.213 608 G HA2 -0.199 3.811 3.960 0.084 0.000 0.236 608 G HA3 -0.199 3.811 3.960 0.084 0.000 0.236 608 G C -0.338 174.656 174.900 0.155 0.000 0.991 608 G CA -0.541 44.618 45.100 0.097 0.000 0.629 608 G HN 0.585 nan 8.290 nan 0.000 0.517 609 W N 2.897 124.193 121.300 -0.006 0.000 2.357 609 W HA 0.482 5.192 4.660 0.084 0.000 0.317 609 W C 0.869 177.407 176.519 0.031 0.000 1.101 609 W CA 0.242 57.596 57.345 0.015 0.000 1.380 609 W CB 0.246 29.710 29.460 0.007 0.000 1.266 609 W HN 0.433 nan 8.180 nan 0.000 0.419 610 Q N 2.502 121.993 119.800 -0.514 0.000 2.224 610 Q HA -0.383 4.007 4.340 0.084 0.000 0.415 610 Q C 1.297 177.189 176.000 -0.180 0.000 0.619 610 Q CA 2.760 58.329 55.803 -0.390 0.000 0.957 610 Q CB -1.118 27.203 28.738 -0.696 0.000 2.552 610 Q HN 0.647 nan 8.270 nan 0.000 0.903 611 E N 1.213 121.275 120.200 -0.230 0.000 2.265 611 E HA -0.108 4.292 4.350 0.084 0.000 0.196 611 E C 1.688 178.159 176.600 -0.215 0.000 0.996 611 E CA 0.943 57.119 56.400 -0.373 0.000 0.832 611 E CB -0.110 29.373 29.700 -0.361 0.000 0.756 611 E HN 0.356 nan 8.360 nan 0.000 0.491 612 E N 0.797 120.933 120.200 -0.107 0.000 2.219 612 E HA -0.295 4.106 4.350 0.084 0.000 0.198 612 E C 1.772 178.298 176.600 -0.124 0.000 0.998 612 E CA 1.006 57.349 56.400 -0.095 0.000 0.818 612 E CB 0.077 29.770 29.700 -0.011 0.000 0.741 612 E HN 0.230 nan 8.360 nan 0.000 0.477 613 Q N 0.124 119.858 119.800 -0.110 0.000 2.234 613 Q HA -0.103 4.287 4.340 0.084 0.000 0.206 613 Q C 1.733 177.678 176.000 -0.092 0.000 0.980 613 Q CA 1.711 57.460 55.803 -0.091 0.000 0.869 613 Q CB -0.348 28.344 28.738 -0.076 0.000 0.912 613 Q HN 0.312 nan 8.270 nan 0.000 0.436 614 A N 0.029 122.780 122.820 -0.115 0.000 2.119 614 A HA 0.095 4.465 4.320 0.084 0.000 0.216 614 A C 1.291 178.901 177.584 0.043 0.000 1.152 614 A CA 0.918 52.955 52.037 0.000 0.000 0.708 614 A CB -0.316 18.666 19.000 -0.032 0.000 0.805 614 A HN 0.538 nan 8.150 nan 0.000 0.460 615 I N -3.454 116.981 120.570 -0.226 0.000 3.083 615 I HA 0.231 4.451 4.170 0.084 0.000 0.336 615 I C 1.004 176.639 176.117 -0.804 0.000 1.497 615 I CA 0.317 61.187 61.300 -0.717 0.000 0.936 615 I CB -0.023 37.525 38.000 -0.752 0.000 1.671 615 I HN 0.037 nan 8.210 nan 0.000 0.535 616 T N -1.844 112.474 114.554 -0.394 0.000 2.915 616 T HA -0.159 4.241 4.350 0.084 0.000 0.269 616 T C 1.581 176.202 174.700 -0.132 0.000 1.071 616 T CA 1.218 63.208 62.100 -0.184 0.000 1.132 616 T CB -0.498 68.382 68.868 0.021 0.000 0.878 616 T HN 0.777 nan 8.240 nan 0.000 0.479 617 W N 2.047 123.214 121.300 -0.223 0.000 2.364 617 W HA 0.148 4.858 4.660 0.083 0.000 0.281 617 W C 1.859 178.162 176.519 -0.359 0.000 1.219 617 W CA 0.401 57.343 57.345 -0.672 0.000 1.220 617 W CB -1.022 27.531 29.460 -1.512 0.000 1.127 617 W HN 0.389 nan 8.180 nan 0.000 0.556 618 A N 1.407 123.874 122.820 -0.589 0.000 2.235 618 A HA 0.039 4.409 4.320 0.084 0.000 0.208 618 A C 2.044 179.617 177.584 -0.017 0.000 1.172 618 A CA 0.256 52.113 52.037 -0.301 0.000 0.786 618 A CB -0.680 17.884 19.000 -0.725 0.000 0.804 618 A HN 0.350 nan 8.150 nan 0.000 0.479 619 R N -1.560 118.817 120.500 -0.204 0.000 2.236 619 R HA 0.028 4.418 4.340 0.084 0.000 0.208 619 R C -0.713 175.265 176.300 -0.537 0.000 1.036 619 R CA 0.675 56.548 56.100 -0.379 0.000 1.001 619 R CB -0.035 29.775 30.300 -0.816 0.000 0.896 619 R HN 0.619 nan 8.270 nan 0.000 0.464 620 Y N 0.035 120.320 120.300 -0.026 0.000 2.332 620 Y HA 0.253 4.853 4.550 0.083 0.000 0.326 620 Y C -1.712 174.076 175.900 -0.187 0.000 0.978 620 Y CA -2.781 55.246 58.100 -0.122 0.000 1.205 620 Y CB 1.781 40.290 38.460 0.082 0.000 1.131 620 Y HN -0.145 nan 8.280 nan 0.000 0.462 621 P HA -0.126 nan 4.420 nan 0.000 0.218 621 P C -0.208 177.127 177.300 0.059 0.000 1.149 621 P CA 1.090 64.090 63.100 -0.166 0.000 0.817 621 P CB 0.973 32.489 31.700 -0.307 0.000 0.785 622 L N -1.370 119.928 121.223 0.125 0.000 2.464 622 L HA 0.749 5.139 4.340 0.084 0.000 0.266 622 L C -1.744 175.306 176.870 0.300 0.000 0.965 622 L CA -1.092 53.857 54.840 0.181 0.000 0.833 622 L CB 2.072 44.166 42.059 0.058 0.000 1.296 622 L HN -0.101 nan 8.230 nan 0.000 0.405 623 A N 3.968 126.956 122.820 0.280 0.000 2.475 623 A HA 0.875 5.246 4.320 0.084 0.000 0.301 623 A C -1.754 176.004 177.584 0.291 0.000 1.059 623 A CA -0.582 51.582 52.037 0.212 0.000 0.710 623 A CB 2.046 21.142 19.000 0.160 0.000 1.288 623 A HN 0.546 nan 8.150 nan 0.000 0.408 624 V N 1.895 121.895 119.914 0.143 0.000 2.487 624 V HA 0.738 4.908 4.120 0.084 0.000 0.298 624 V C 0.224 176.441 176.094 0.205 0.000 1.028 624 V CA 0.014 62.405 62.300 0.151 0.000 0.860 624 V CB 1.685 33.447 31.823 -0.103 0.000 0.991 624 V HN 1.194 nan 8.190 nan 0.000 0.427 625 T N 1.272 116.017 114.554 0.320 0.000 2.907 625 T HA 0.560 4.961 4.350 0.084 0.000 0.292 625 T C -0.561 174.266 174.700 0.211 0.000 1.043 625 T CA -0.917 61.345 62.100 0.269 0.000 1.003 625 T CB 1.843 70.937 68.868 0.378 0.000 1.084 625 T HN 0.560 nan 8.240 nan 0.000 0.483 626 K N 1.771 122.264 120.400 0.155 0.000 2.412 626 K HA 0.127 4.497 4.320 0.084 0.000 0.281 626 K C -0.542 176.143 176.600 0.140 0.000 1.027 626 K CA -0.611 55.761 56.287 0.141 0.000 0.989 626 K CB 0.140 32.705 32.500 0.109 0.000 0.935 626 K HN 0.703 nan 8.250 nan 0.000 0.475 627 Y N 4.395 124.720 120.300 0.041 0.000 2.810 627 Y HA -0.072 4.528 4.550 0.084 0.000 0.332 627 Y C -0.443 175.455 175.900 -0.002 0.000 1.243 627 Y CA 0.857 58.968 58.100 0.017 0.000 1.537 627 Y CB 0.472 38.924 38.460 -0.014 0.000 1.265 627 Y HN 0.543 nan 8.280 nan 0.000 0.572 628 R N 4.772 124.957 120.500 -0.524 0.000 2.584 628 R HA 0.138 4.528 4.340 0.084 0.000 0.276 628 R C 0.414 176.392 176.300 -0.538 0.000 1.046 628 R CA -0.897 54.981 56.100 -0.370 0.000 0.906 628 R CB 1.646 31.801 30.300 -0.242 0.000 1.215 628 R HN 0.639 nan 8.270 nan 0.000 0.449 629 E N 0.696 120.743 120.200 -0.255 0.000 2.265 629 E HA -0.114 4.286 4.350 0.084 0.000 0.196 629 E C 1.148 177.689 176.600 -0.098 0.000 0.996 629 E CA 1.560 57.886 56.400 -0.124 0.000 0.832 629 E CB 0.177 29.898 29.700 0.035 0.000 0.756 629 E HN 0.596 nan 8.360 nan 0.000 0.491 630 S N -0.189 115.434 115.700 -0.128 0.000 2.593 630 S HA 0.077 4.597 4.470 0.084 0.000 0.217 630 S C 0.730 175.220 174.600 -0.182 0.000 0.966 630 S CA -0.078 58.063 58.200 -0.099 0.000 0.914 630 S CB 0.045 63.195 63.200 -0.084 0.000 0.776 630 S HN 0.106 nan 8.310 nan 0.000 0.523 631 E N 0.603 120.626 120.200 -0.296 0.000 4.017 631 E HA 0.329 4.729 4.350 0.084 0.000 0.205 631 E C 0.133 176.698 176.600 -0.059 0.000 1.054 631 E CA -0.038 56.071 56.400 -0.485 0.000 1.398 631 E CB 0.529 29.571 29.700 -1.098 0.000 1.164 631 E HN 0.372 nan 8.360 nan 0.000 0.445 632 L N -0.386 120.876 121.223 0.066 0.000 2.341 632 L HA 0.155 4.545 4.340 0.084 0.000 0.214 632 L C 0.609 177.686 176.870 0.345 0.000 1.115 632 L CA 0.565 55.494 54.840 0.148 0.000 0.820 632 L CB 0.261 42.386 42.059 0.110 0.000 0.944 632 L HN 0.264 nan 8.230 nan 0.000 0.452 633 C N -1.307 118.245 119.300 0.419 0.000 2.712 633 C HA 0.301 4.811 4.460 0.084 0.000 0.308 633 C C 1.527 176.812 174.990 0.492 0.000 1.201 633 C CA -0.717 58.557 59.018 0.426 0.000 1.554 633 C CB 1.851 29.741 27.740 0.250 0.000 2.117 633 C HN 0.378 nan 8.230 nan 0.000 0.480 634 S N 0.048 115.977 115.700 0.382 0.000 2.524 634 S HA 0.148 4.668 4.470 0.084 0.000 0.216 634 S C 0.537 175.148 174.600 0.019 0.000 0.987 634 S CA 0.233 58.532 58.200 0.164 0.000 0.909 634 S CB 0.101 63.327 63.200 0.044 0.000 0.781 634 S HN 0.749 nan 8.310 nan 0.000 0.521 635 S N 0.368 116.026 115.700 -0.069 0.000 2.840 635 S HA 0.827 5.348 4.470 0.084 0.000 0.307 635 S C -1.247 173.184 174.600 -0.282 0.000 1.180 635 S CA 0.053 57.997 58.200 -0.427 0.000 0.846 635 S CB 1.528 64.558 63.200 -0.282 0.000 1.233 635 S HN 0.843 nan 8.310 nan 0.000 0.548 636 S N -0.262 115.246 115.700 -0.319 0.000 2.587 636 S HA 0.343 4.863 4.470 0.084 0.000 0.269 636 S C 0.795 175.421 174.600 0.043 0.000 1.154 636 S CA -0.310 57.920 58.200 0.051 0.000 0.824 636 S CB 0.102 63.526 63.200 0.373 0.000 1.118 636 S HN 1.142 nan 8.310 nan 0.000 0.462 637 I N -1.245 119.271 120.570 -0.090 0.000 2.850 637 I HA -0.020 4.201 4.170 0.084 0.000 0.266 637 I C 1.179 177.148 176.117 -0.246 0.000 1.257 637 I CA 1.012 62.205 61.300 -0.177 0.000 1.465 637 I CB -0.632 37.241 38.000 -0.212 0.000 1.091 637 I HN 0.686 nan 8.210 nan 0.000 0.467 638 Y N -0.087 120.328 120.300 0.191 0.000 2.510 638 Y HA 0.073 4.671 4.550 0.081 0.000 0.273 638 Y C 2.284 178.268 175.900 0.140 0.000 1.119 638 Y CA 0.293 58.470 58.100 0.129 0.000 1.286 638 Y CB -0.536 37.991 38.460 0.112 0.000 1.061 638 Y HN 0.138 nan 8.280 nan 0.000 0.542 639 H N 0.010 119.168 119.070 0.147 0.000 2.387 639 H HA -0.186 4.419 4.556 0.083 0.000 0.299 639 H C 2.147 177.499 175.328 0.039 0.000 1.090 639 H CA 1.764 57.869 56.048 0.094 0.000 1.332 639 H CB -0.156 29.675 29.762 0.115 0.000 1.386 639 H HN 0.251 nan 8.280 nan 0.000 0.516 640 Q N 0.589 120.493 119.800 0.174 0.000 2.061 640 Q HA -0.133 4.257 4.340 0.084 0.000 0.204 640 Q C 1.209 177.222 176.000 0.021 0.000 0.984 640 Q CA 1.879 57.751 55.803 0.114 0.000 0.846 640 Q CB -0.034 28.771 28.738 0.111 0.000 0.902 640 Q HN 0.326 nan 8.270 nan 0.000 0.421 641 N N -0.284 118.420 118.700 0.007 0.000 2.282 641 N HA 0.033 4.823 4.740 0.084 0.000 0.185 641 N C -0.726 174.826 175.510 0.070 0.000 1.099 641 N CA 0.426 53.478 53.050 0.004 0.000 0.878 641 N CB 0.613 39.065 38.487 -0.057 0.000 0.993 641 N HN 0.161 nan 8.380 nan 0.000 0.481 642 D N 0.324 120.763 120.400 0.066 0.000 2.513 642 D HA 0.206 4.896 4.640 0.084 0.000 0.295 642 D C -1.983 174.273 176.300 -0.072 0.000 1.202 642 D CA -1.816 52.262 54.000 0.130 0.000 0.849 642 D CB 1.212 42.166 40.800 0.255 0.000 1.116 642 D HN 0.019 nan 8.370 nan 0.000 0.502 643 P HA -0.003 nan 4.420 nan 0.000 0.233 643 P C 1.373 178.419 177.300 -0.423 0.000 1.167 643 P CA 0.308 63.133 63.100 -0.458 0.000 0.770 643 P CB 0.145 31.471 31.700 -0.623 0.000 0.837 644 W N 0.398 121.660 121.300 -0.063 0.000 2.453 644 W HA 0.059 4.768 4.660 0.082 0.000 0.289 644 W C 0.418 176.891 176.519 -0.077 0.000 1.215 644 W CA 0.694 57.988 57.345 -0.085 0.000 1.297 644 W CB -0.496 28.914 29.460 -0.084 0.000 1.113 644 W HN 0.069 nan 8.180 nan 0.000 0.551 645 D N -0.418 120.080 120.400 0.163 0.000 2.772 645 D HA 0.200 4.890 4.640 0.084 0.000 0.326 645 D C -2.560 173.671 176.300 -0.116 0.000 1.207 645 D CA -1.889 52.149 54.000 0.064 0.000 0.777 645 D CB 0.810 41.736 40.800 0.210 0.000 1.169 645 D HN -0.176 nan 8.370 nan 0.000 0.506 646 P HA 0.300 nan 4.420 nan 0.000 0.276 646 P C -2.003 175.084 177.300 -0.354 0.000 1.252 646 P CA -1.120 61.713 63.100 -0.445 0.000 0.802 646 P CB 0.967 32.101 31.700 -0.943 0.000 1.035 647 P HA 0.025 nan 4.420 nan 0.000 0.236 647 P C -0.089 177.248 177.300 0.061 0.000 1.177 647 P CA 0.724 63.751 63.100 -0.121 0.000 0.773 647 P CB 0.414 32.087 31.700 -0.044 0.000 0.878 648 V N 0.661 120.686 119.914 0.185 0.000 2.569 648 V HA 0.220 4.390 4.120 0.084 0.000 0.301 648 V C -0.302 175.917 176.094 0.207 0.000 1.044 648 V CA -0.752 61.707 62.300 0.264 0.000 0.874 648 V CB 2.772 34.818 31.823 0.371 0.000 1.002 648 V HN -0.332 nan 8.190 nan 0.000 0.424 649 V N 5.377 125.316 119.914 0.043 0.000 2.304 649 V HA 0.248 4.419 4.120 0.084 0.000 0.278 649 V C 0.830 176.761 176.094 -0.271 0.000 1.018 649 V CA -0.249 62.030 62.300 -0.035 0.000 0.814 649 V CB 0.907 32.707 31.823 -0.038 0.000 1.021 649 V HN 0.860 nan 8.190 nan 0.000 0.440 650 F N 3.616 123.277 119.950 -0.482 0.000 2.087 650 F HA -0.263 4.314 4.527 0.083 0.000 0.299 650 F C 2.202 177.631 175.800 -0.618 0.000 1.100 650 F CA 2.595 60.035 58.000 -0.935 0.000 1.226 650 F CB 0.153 38.863 39.000 -0.483 0.000 0.983 650 F HN 0.653 nan 8.300 nan 0.000 0.479 651 E N 0.394 120.500 120.200 -0.157 0.000 2.147 651 E HA -0.305 4.096 4.350 0.084 0.000 0.199 651 E C 2.074 178.596 176.600 -0.131 0.000 1.005 651 E CA 2.095 58.459 56.400 -0.059 0.000 0.810 651 E CB -0.439 29.311 29.700 0.084 0.000 0.736 651 E HN 0.661 nan 8.360 nan 0.000 0.460 652 Q N -1.178 118.547 119.800 -0.125 0.000 2.226 652 Q HA -0.136 4.255 4.340 0.084 0.000 0.204 652 Q C 1.694 177.766 176.000 0.120 0.000 0.975 652 Q CA 1.069 56.880 55.803 0.013 0.000 0.866 652 Q CB -0.186 28.566 28.738 0.024 0.000 0.915 652 Q HN 0.354 nan 8.270 nan 0.000 0.440 653 F N 0.195 119.977 119.950 -0.279 0.000 2.307 653 F HA -0.133 4.444 4.527 0.083 0.000 0.301 653 F C 1.679 177.334 175.800 -0.241 0.000 1.076 653 F CA 0.846 58.653 58.000 -0.321 0.000 1.383 653 F CB -0.439 38.179 39.000 -0.638 0.000 1.055 653 F HN 0.088 nan 8.300 nan 0.000 0.526 654 L N -1.534 119.658 121.223 -0.053 0.000 2.607 654 L HA 0.003 4.393 4.340 0.084 0.000 0.228 654 L C 2.377 179.264 176.870 0.027 0.000 1.123 654 L CA 0.148 54.963 54.840 -0.041 0.000 0.890 654 L CB -0.695 41.298 42.059 -0.110 0.000 1.103 654 L HN 0.173 nan 8.230 nan 0.000 0.468 655 H N 2.271 121.332 119.070 -0.014 0.000 2.387 655 H HA -0.131 4.475 4.556 0.084 0.000 0.299 655 H C 1.567 176.894 175.328 -0.002 0.000 1.090 655 H CA 1.936 57.982 56.048 -0.004 0.000 1.332 655 H CB 0.329 30.093 29.762 0.003 0.000 1.386 655 H HN 0.492 nan 8.280 nan 0.000 0.516 656 N N 0.584 119.304 118.700 0.033 0.000 2.467 656 N HA -0.141 4.649 4.740 0.084 0.000 0.184 656 N C 0.127 175.624 175.510 -0.021 0.000 1.106 656 N CA 0.574 53.618 53.050 -0.010 0.000 0.892 656 N CB -0.836 37.688 38.487 0.061 0.000 0.969 656 N HN 0.161 nan 8.380 nan 0.000 0.454 657 N N 1.158 119.855 118.700 -0.005 0.000 2.669 657 N HA -0.211 4.579 4.740 0.084 0.000 0.266 657 N C -1.266 174.350 175.510 0.177 0.000 1.024 657 N CA 0.556 53.630 53.050 0.041 0.000 0.766 657 N CB -1.058 37.391 38.487 -0.064 0.000 0.898 657 N HN 0.573 nan 8.380 nan 0.000 0.548 658 E N 0.291 120.620 120.200 0.215 0.000 2.345 658 E HA 0.142 4.542 4.350 0.084 0.000 0.259 658 E C 0.450 177.296 176.600 0.409 0.000 1.117 658 E CA -0.846 55.728 56.400 0.290 0.000 0.913 658 E CB 0.526 30.326 29.700 0.167 0.000 1.057 658 E HN 0.369 nan 8.360 nan 0.000 0.432 659 N N 2.011 120.899 118.700 0.313 0.000 2.497 659 N HA 0.025 4.815 4.740 0.084 0.000 0.268 659 N C 0.034 175.514 175.510 -0.050 0.000 1.171 659 N CA 0.131 53.120 53.050 -0.102 0.000 0.948 659 N CB 0.523 38.878 38.487 -0.219 0.000 1.069 659 N HN 0.486 nan 8.380 nan 0.000 0.460 660 I N -0.407 120.101 120.570 -0.103 0.000 3.856 660 I HA 0.350 4.570 4.170 0.084 0.000 0.330 660 I C -0.583 175.531 176.117 -0.004 0.000 1.546 660 I CA -0.569 60.736 61.300 0.008 0.000 1.132 660 I CB 0.168 38.219 38.000 0.086 0.000 1.157 660 I HN 0.221 nan 8.210 nan 0.000 0.440 661 E N 2.114 122.261 120.200 -0.088 0.000 2.194 661 E HA 0.158 4.558 4.350 0.084 0.000 0.284 661 E C -0.369 176.219 176.600 -0.020 0.000 1.035 661 E CA -0.587 55.776 56.400 -0.062 0.000 0.836 661 E CB 0.501 30.124 29.700 -0.129 0.000 1.070 661 E HN 0.344 nan 8.360 nan 0.000 0.401 662 N N 2.890 121.601 118.700 0.017 0.000 2.714 662 N HA -0.182 4.608 4.740 0.084 0.000 0.253 662 N C -1.270 174.259 175.510 0.031 0.000 1.024 662 N CA 0.839 53.904 53.050 0.026 0.000 0.726 662 N CB -0.333 38.160 38.487 0.009 0.000 0.908 662 N HN 0.454 nan 8.380 nan 0.000 0.542 663 E N -0.457 119.774 120.200 0.052 0.000 2.431 663 E HA 0.234 4.634 4.350 0.084 0.000 0.268 663 E C -0.915 175.725 176.600 0.068 0.000 0.953 663 E CA -0.732 55.702 56.400 0.056 0.000 0.810 663 E CB 0.554 30.292 29.700 0.064 0.000 1.369 663 E HN 0.204 nan 8.360 nan 0.000 0.440 664 D N 1.544 121.979 120.400 0.059 0.000 2.344 664 D HA 0.199 4.889 4.640 0.084 0.000 0.253 664 D C -0.603 175.768 176.300 0.118 0.000 1.255 664 D CA 0.088 54.118 54.000 0.050 0.000 0.894 664 D CB -0.121 40.666 40.800 -0.022 0.000 1.067 664 D HN 0.217 nan 8.370 nan 0.000 0.492 665 L N 2.775 124.070 121.223 0.120 0.000 2.360 665 L HA 0.549 4.939 4.340 0.084 0.000 0.271 665 L C -0.152 176.766 176.870 0.080 0.000 1.057 665 L CA -1.166 53.763 54.840 0.148 0.000 0.803 665 L CB 1.884 44.083 42.059 0.234 0.000 1.207 665 L HN 0.045 nan 8.230 nan 0.000 0.445 666 V N 1.351 121.300 119.914 0.059 0.000 2.531 666 V HA 0.568 4.738 4.120 0.084 0.000 0.301 666 V C 0.036 176.015 176.094 -0.193 0.000 1.034 666 V CA -0.631 61.584 62.300 -0.141 0.000 0.865 666 V CB 1.715 33.420 31.823 -0.195 0.000 0.995 666 V HN 0.873 nan 8.190 nan 0.000 0.424 667 A N 4.416 127.008 122.820 -0.381 0.000 2.309 667 A HA 0.802 5.173 4.320 0.084 0.000 0.298 667 A C -1.354 175.997 177.584 -0.387 0.000 1.165 667 A CA -0.317 51.549 52.037 -0.285 0.000 0.821 667 A CB 0.485 19.199 19.000 -0.475 0.000 1.102 667 A HN 0.819 nan 8.150 nan 0.000 0.500 668 W N 1.530 122.791 121.300 -0.065 0.000 2.600 668 W HA 0.553 5.263 4.660 0.083 0.000 0.325 668 W C -0.905 175.529 176.519 -0.142 0.000 1.034 668 W CA -0.533 56.727 57.345 -0.142 0.000 1.226 668 W CB 2.073 31.588 29.460 0.092 0.000 1.379 668 W HN 0.419 nan 8.180 nan 0.000 0.466 669 V N 3.008 122.874 119.914 -0.080 0.000 2.531 669 V HA 0.502 4.673 4.120 0.084 0.000 0.301 669 V C -0.250 175.981 176.094 0.228 0.000 1.034 669 V CA -0.787 61.509 62.300 -0.007 0.000 0.865 669 V CB 1.818 33.444 31.823 -0.329 0.000 0.995 669 V HN 0.493 nan 8.190 nan 0.000 0.424 670 T N 4.919 119.700 114.554 0.380 0.000 2.767 670 T HA 0.636 5.036 4.350 0.084 0.000 0.284 670 T C -0.272 174.685 174.700 0.429 0.000 0.973 670 T CA -0.373 62.042 62.100 0.526 0.000 0.996 670 T CB 1.358 70.590 68.868 0.607 0.000 0.927 670 T HN 0.747 nan 8.240 nan 0.000 0.456 671 V N 0.640 120.811 119.914 0.428 0.000 2.876 671 V HA 1.106 5.276 4.120 0.084 0.000 0.312 671 V C -0.034 176.252 176.094 0.321 0.000 1.085 671 V CA -0.486 62.029 62.300 0.359 0.000 0.945 671 V CB 1.618 33.653 31.823 0.354 0.000 1.017 671 V HN 1.101 nan 8.190 nan 0.000 0.428 672 G N 2.128 111.091 108.800 0.273 0.000 2.340 672 G HA2 0.757 4.767 3.960 0.084 0.000 0.299 672 G HA3 0.757 4.767 3.960 0.084 0.000 0.299 672 G C -1.566 173.505 174.900 0.284 0.000 1.291 672 G CA -0.052 45.182 45.100 0.224 0.000 0.841 672 G HN 2.131 nan 8.290 nan 0.000 0.500 673 F N -1.841 118.139 119.950 0.049 0.000 2.688 673 F HA 0.729 5.306 4.527 0.084 0.000 0.308 673 F C -1.285 174.530 175.800 0.025 0.000 1.117 673 F CA -1.428 56.576 58.000 0.007 0.000 0.976 673 F CB 1.403 40.391 39.000 -0.021 0.000 1.291 673 F HN 0.612 nan 8.300 nan 0.000 0.439 674 L N 3.383 124.662 121.223 0.094 0.000 2.367 674 L HA 0.358 4.748 4.340 0.084 0.000 0.275 674 L C -0.705 176.258 176.870 0.154 0.000 1.129 674 L CA 0.349 55.192 54.840 0.004 0.000 0.839 674 L CB 0.203 42.256 42.059 -0.009 0.000 1.133 674 L HN 0.865 nan 8.230 nan 0.000 0.453 675 H N 5.925 124.883 119.070 -0.187 0.000 2.762 675 H HA 0.422 5.028 4.556 0.083 0.000 0.310 675 H C -0.937 174.276 175.328 -0.192 0.000 1.004 675 H CA -0.943 55.038 56.048 -0.112 0.000 1.267 675 H CB 0.805 30.460 29.762 -0.178 0.000 1.437 675 H HN 0.636 nan 8.280 nan 0.000 0.498 676 I N 8.011 128.710 120.570 0.215 0.000 2.297 676 I HA 0.207 4.427 4.170 0.084 0.000 0.291 676 I C -2.208 174.071 176.117 0.271 0.000 1.033 676 I CA -2.000 59.378 61.300 0.130 0.000 1.253 676 I CB 1.262 39.322 38.000 0.102 0.000 1.396 676 I HN 0.462 nan 8.210 nan 0.000 0.476 677 P HA 0.158 nan 4.420 nan 0.000 0.272 677 P C -1.256 176.202 177.300 0.262 0.000 1.223 677 P CA 0.140 63.338 63.100 0.164 0.000 0.784 677 P CB 0.466 32.190 31.700 0.040 0.000 0.923 678 H N -3.191 115.964 119.070 0.140 0.000 2.977 678 H HA 0.453 5.059 4.556 0.084 0.000 0.350 678 H C 0.825 176.197 175.328 0.073 0.000 1.238 678 H CA -0.848 55.252 56.048 0.086 0.000 1.124 678 H CB 0.430 30.238 29.762 0.077 0.000 1.866 678 H HN 0.177 nan 8.280 nan 0.000 0.550 679 S N -0.178 115.579 115.700 0.095 0.000 2.419 679 S HA -0.201 4.319 4.470 0.084 0.000 0.233 679 S C 1.058 175.651 174.600 -0.012 0.000 1.016 679 S CA 1.474 59.687 58.200 0.021 0.000 0.974 679 S CB -0.479 62.732 63.200 0.018 0.000 0.786 679 S HN 0.701 nan 8.310 nan 0.000 0.492 680 E N 1.492 121.691 120.200 -0.003 0.000 2.478 680 E HA 0.017 4.417 4.350 0.084 0.000 0.198 680 E C 1.012 177.533 176.600 -0.131 0.000 1.046 680 E CA 0.627 57.015 56.400 -0.020 0.000 0.870 680 E CB -0.252 29.513 29.700 0.108 0.000 0.818 680 E HN 0.509 nan 8.360 nan 0.000 0.527 681 D N -0.034 120.217 120.400 -0.248 0.000 2.363 681 D HA -0.042 4.648 4.640 0.084 0.000 0.226 681 D C 0.049 176.310 176.300 -0.065 0.000 1.020 681 D CA 0.457 54.367 54.000 -0.151 0.000 0.892 681 D CB 0.268 41.012 40.800 -0.094 0.000 0.900 681 D HN 0.138 nan 8.370 nan 0.000 0.531 682 I N 2.405 122.952 120.570 -0.039 0.000 2.331 682 I HA 0.096 4.316 4.170 0.084 0.000 0.292 682 I C -1.096 174.994 176.117 -0.046 0.000 0.998 682 I CA -1.934 59.374 61.300 0.014 0.000 1.267 682 I CB 1.311 39.369 38.000 0.097 0.000 1.386 682 I HN -0.223 nan 8.210 nan 0.000 0.476 683 P HA -0.003 nan 4.420 nan 0.000 0.224 683 P C 0.060 177.137 177.300 -0.371 0.000 1.157 683 P CA 0.839 63.836 63.100 -0.171 0.000 0.799 683 P CB 0.800 32.310 31.700 -0.317 0.000 0.809 684 N N -0.716 117.734 118.700 -0.416 0.000 2.265 684 N HA 0.232 5.022 4.740 0.084 0.000 0.300 684 N C -0.493 174.917 175.510 -0.167 0.000 1.148 684 N CA -0.513 52.311 53.050 -0.378 0.000 0.772 684 N CB 1.989 40.235 38.487 -0.401 0.000 1.434 684 N HN -0.118 nan 8.380 nan 0.000 0.481 685 T N -0.540 113.970 114.554 -0.073 0.000 2.916 685 T HA 0.453 4.853 4.350 0.084 0.000 0.303 685 T C 0.206 174.882 174.700 -0.040 0.000 1.025 685 T CA -0.692 61.402 62.100 -0.009 0.000 1.142 685 T CB 0.917 69.854 68.868 0.114 0.000 0.947 685 T HN 0.452 nan 8.240 nan 0.000 0.544 686 A N 2.912 125.707 122.820 -0.042 0.000 2.294 686 A HA 0.643 5.013 4.320 0.084 0.000 0.330 686 A C 1.586 179.142 177.584 -0.047 0.000 1.133 686 A CA -0.289 51.723 52.037 -0.042 0.000 0.836 686 A CB 0.721 19.701 19.000 -0.034 0.000 1.190 686 A HN 1.083 nan 8.150 nan 0.000 0.492 687 T N -1.794 112.731 114.554 -0.048 0.000 2.904 687 T HA 0.083 4.484 4.350 0.084 0.000 0.267 687 T C -1.570 173.103 174.700 -0.044 0.000 1.059 687 T CA 0.276 62.350 62.100 -0.043 0.000 1.137 687 T CB -1.514 67.310 68.868 -0.073 0.000 0.879 687 T HN 0.449 nan 8.240 nan 0.000 0.467 688 P HA 0.306 nan 4.420 nan 0.000 0.263 688 P C 1.118 178.375 177.300 -0.071 0.000 1.195 688 P CA 1.083 64.155 63.100 -0.048 0.000 0.762 688 P CB 0.046 31.722 31.700 -0.040 0.000 0.799 689 G N 3.062 111.814 108.800 -0.079 0.000 2.196 689 G HA2 -0.288 3.722 3.960 0.084 0.000 0.268 689 G HA3 -0.288 3.722 3.960 0.084 0.000 0.268 689 G C 0.566 175.328 174.900 -0.230 0.000 0.975 689 G CA -0.097 44.932 45.100 -0.117 0.000 0.648 689 G HN 0.572 nan 8.290 nan 0.000 0.538 690 N N 0.479 119.029 118.700 -0.250 0.000 2.635 690 N HA 0.390 5.180 4.740 0.084 0.000 0.307 690 N C 0.030 175.301 175.510 -0.399 0.000 1.433 690 N CA 0.695 53.465 53.050 -0.466 0.000 0.973 690 N CB 0.850 39.141 38.487 -0.327 0.000 1.304 690 N HN 0.709 nan 8.380 nan 0.000 0.507 691 S N -1.077 114.424 115.700 -0.332 0.000 2.548 691 S HA 0.802 5.322 4.470 0.084 0.000 0.286 691 S C -0.268 174.242 174.600 -0.150 0.000 1.098 691 S CA -0.587 57.439 58.200 -0.291 0.000 0.930 691 S CB 2.019 65.011 63.200 -0.348 0.000 1.070 691 S HN -0.053 nan 8.310 nan 0.000 0.480 692 V N -0.797 119.061 119.914 -0.092 0.000 3.160 692 V HA 1.083 5.253 4.120 0.084 0.000 0.310 692 V C 0.395 176.511 176.094 0.036 0.000 1.181 692 V CA 0.015 62.374 62.300 0.099 0.000 1.047 692 V CB 0.994 32.927 31.823 0.182 0.000 1.068 692 V HN 1.783 nan 8.190 nan 0.000 0.441 693 G N 0.602 109.473 108.800 0.118 0.000 2.367 693 G HA2 0.613 4.623 3.960 0.084 0.000 0.272 693 G HA3 0.613 4.623 3.960 0.084 0.000 0.272 693 G C -1.537 173.423 174.900 0.100 0.000 1.271 693 G CA 0.043 45.146 45.100 0.004 0.000 0.893 693 G HN 2.203 nan 8.290 nan 0.000 0.485 694 F N -1.806 118.049 119.950 -0.159 0.000 2.693 694 F HA 0.882 5.459 4.527 0.083 0.000 0.309 694 F C -1.707 174.017 175.800 -0.126 0.000 1.129 694 F CA -1.395 56.535 58.000 -0.117 0.000 0.948 694 F CB 1.285 40.205 39.000 -0.133 0.000 1.315 694 F HN 0.524 nan 8.300 nan 0.000 0.447 695 L N 2.422 123.683 121.223 0.064 0.000 2.334 695 L HA 0.682 5.072 4.340 0.084 0.000 0.273 695 L C -0.923 176.047 176.870 0.167 0.000 1.013 695 L CA -0.633 54.211 54.840 0.006 0.000 0.816 695 L CB 1.982 44.023 42.059 -0.030 0.000 1.278 695 L HN 0.675 nan 8.230 nan 0.000 0.431 696 L N 3.545 124.862 121.223 0.157 0.000 2.319 696 L HA 0.605 4.995 4.340 0.084 0.000 0.281 696 L C -0.540 176.506 176.870 0.293 0.000 1.005 696 L CA -0.549 54.456 54.840 0.274 0.000 0.828 696 L CB 1.325 43.559 42.059 0.292 0.000 1.227 696 L HN 0.525 nan 8.230 nan 0.000 0.415 697 R N 3.827 124.412 120.500 0.142 0.000 2.599 697 R HA 0.485 4.875 4.340 0.084 0.000 0.295 697 R C -2.646 173.343 176.300 -0.518 0.000 0.963 697 R CA -1.963 54.084 56.100 -0.088 0.000 0.883 697 R CB 1.896 32.164 30.300 -0.052 0.000 1.171 697 R HN 0.258 nan 8.270 nan 0.000 0.450 698 P HA -0.010 nan 4.420 nan 0.000 0.271 698 P C -1.079 176.101 177.300 -0.200 0.000 1.216 698 P CA 0.161 62.675 63.100 -0.977 0.000 0.771 698 P CB 0.436 31.874 31.700 -0.436 0.000 0.864 699 F N 4.185 124.006 119.950 -0.216 0.000 2.716 699 F HA 0.307 4.884 4.527 0.084 0.000 0.354 699 F C 0.263 176.093 175.800 0.050 0.000 1.168 699 F CA -0.385 57.600 58.000 -0.026 0.000 1.045 699 F CB 0.443 39.459 39.000 0.028 0.000 1.311 699 F HN 0.261 nan 8.300 nan 0.000 0.477 700 N N 3.754 122.307 118.700 -0.245 0.000 2.741 700 N HA -0.320 4.470 4.740 0.084 0.000 0.251 700 N C 0.598 176.119 175.510 0.019 0.000 1.112 700 N CA 1.474 54.452 53.050 -0.119 0.000 0.750 700 N CB -1.740 36.656 38.487 -0.150 0.000 1.119 700 N HN 0.715 nan 8.380 nan 0.000 0.561 701 F N -0.069 119.797 119.950 -0.140 0.000 2.219 701 F HA 0.215 4.792 4.527 0.084 0.000 0.294 701 F C 0.705 176.250 175.800 -0.424 0.000 1.086 701 F CA 0.775 58.600 58.000 -0.291 0.000 1.330 701 F CB 0.219 38.951 39.000 -0.446 0.000 1.047 701 F HN -0.036 nan 8.300 nan 0.000 0.495 702 F N 0.324 120.383 119.950 0.182 0.000 2.432 702 F HA 0.356 4.933 4.527 0.083 0.000 0.329 702 F C -1.304 174.538 175.800 0.071 0.000 1.076 702 F CA -2.187 55.874 58.000 0.101 0.000 1.018 702 F CB 0.130 39.214 39.000 0.140 0.000 1.201 702 F HN -0.276 nan 8.300 nan 0.000 0.489 703 P HA -0.056 nan 4.420 nan 0.000 0.221 703 P C -0.786 176.732 177.300 0.364 0.000 1.150 703 P CA 1.158 64.411 63.100 0.255 0.000 0.800 703 P CB 0.156 31.931 31.700 0.126 0.000 0.787 704 E N -2.201 118.144 120.200 0.243 0.000 2.456 704 E HA 0.266 4.666 4.350 0.084 0.000 0.278 704 E C -1.192 175.461 176.600 0.089 0.000 1.034 704 E CA -1.070 55.419 56.400 0.148 0.000 0.846 704 E CB -0.077 29.690 29.700 0.110 0.000 1.460 704 E HN -0.320 nan 8.360 nan 0.000 0.463 705 D N 1.724 122.136 120.400 0.020 0.000 2.570 705 D HA -0.027 4.664 4.640 0.084 0.000 0.243 705 D C -1.197 175.048 176.300 -0.091 0.000 1.171 705 D CA -1.394 52.585 54.000 -0.034 0.000 0.879 705 D CB 0.884 41.659 40.800 -0.041 0.000 1.143 705 D HN 0.187 nan 8.370 nan 0.000 0.511 706 P HA -0.109 nan 4.420 nan 0.000 0.229 706 P C 0.977 178.195 177.300 -0.137 0.000 1.160 706 P CA 0.569 63.467 63.100 -0.336 0.000 0.777 706 P CB -0.027 31.091 31.700 -0.971 0.000 0.814 707 S N -0.781 114.862 115.700 -0.095 0.000 2.603 707 S HA -0.004 4.516 4.470 0.084 0.000 0.229 707 S C 1.829 176.393 174.600 -0.059 0.000 0.972 707 S CA 0.181 58.362 58.200 -0.031 0.000 0.935 707 S CB -1.461 61.739 63.200 -0.001 0.000 0.769 707 S HN 0.071 nan 8.310 nan 0.000 0.536 708 L N 0.734 121.908 121.223 -0.081 0.000 2.275 708 L HA 0.030 4.420 4.340 0.084 0.000 0.215 708 L C 2.937 179.725 176.870 -0.135 0.000 1.119 708 L CA 0.940 55.715 54.840 -0.109 0.000 0.790 708 L CB -0.618 41.386 42.059 -0.093 0.000 0.919 708 L HN 0.499 nan 8.230 nan 0.000 0.443 709 A N -1.012 121.743 122.820 -0.108 0.000 2.121 709 A HA -0.110 4.260 4.320 0.084 0.000 0.218 709 A C 1.552 179.064 177.584 -0.120 0.000 1.154 709 A CA 0.660 52.628 52.037 -0.114 0.000 0.679 709 A CB -0.354 18.588 19.000 -0.097 0.000 0.795 709 A HN 0.310 nan 8.150 nan 0.000 0.458 710 S N -0.329 115.309 115.700 -0.102 0.000 2.549 710 S HA 0.170 4.690 4.470 0.084 0.000 0.286 710 S C 1.013 175.550 174.600 -0.105 0.000 1.314 710 S CA -0.474 57.681 58.200 -0.076 0.000 1.062 710 S CB 0.248 63.428 63.200 -0.033 0.000 0.865 710 S HN 0.395 nan 8.310 nan 0.000 0.498 711 R N 2.790 123.265 120.500 -0.042 0.000 2.317 711 R HA 0.147 4.537 4.340 0.084 0.000 0.208 711 R C 0.624 177.002 176.300 0.131 0.000 0.914 711 R CA 0.112 56.224 56.100 0.021 0.000 1.060 711 R CB -0.511 29.841 30.300 0.086 0.000 1.015 711 R HN 0.631 nan 8.270 nan 0.000 0.498 712 D N 0.490 120.944 120.400 0.089 0.000 2.312 712 D HA -0.038 4.653 4.640 0.084 0.000 0.211 712 D C 0.053 176.444 176.300 0.152 0.000 0.964 712 D CA 0.681 54.756 54.000 0.125 0.000 0.877 712 D CB 0.047 40.909 40.800 0.102 0.000 0.924 712 D HN 0.012 nan 8.370 nan 0.000 0.515 713 T N 0.899 115.520 114.554 0.111 0.000 2.933 713 T HA 0.149 4.549 4.350 0.084 0.000 0.306 713 T C 0.324 175.200 174.700 0.294 0.000 1.045 713 T CA 0.071 62.240 62.100 0.115 0.000 1.143 713 T CB 1.389 70.225 68.868 -0.054 0.000 1.003 713 T HN -0.243 nan 8.240 nan 0.000 0.540 714 V N 4.904 124.959 119.914 0.234 0.000 2.540 714 V HA 0.520 4.690 4.120 0.084 0.000 0.302 714 V C -0.080 176.117 176.094 0.171 0.000 1.035 714 V CA -0.810 61.635 62.300 0.243 0.000 0.873 714 V CB 1.698 33.634 31.823 0.188 0.000 0.992 714 V HN 0.739 nan 8.190 nan 0.000 0.428 715 I N 4.482 125.121 120.570 0.115 0.000 2.436 715 I HA 0.518 4.739 4.170 0.084 0.000 0.289 715 I C -0.749 175.218 176.117 -0.250 0.000 1.010 715 I CA -0.952 60.267 61.300 -0.135 0.000 1.098 715 I CB 2.192 40.031 38.000 -0.268 0.000 1.266 715 I HN 0.249 nan 8.210 nan 0.000 0.434 716 V N 5.224 125.034 119.914 -0.173 0.000 2.370 716 V HA 0.341 4.511 4.120 0.084 0.000 0.283 716 V C -0.984 175.009 176.094 -0.168 0.000 1.023 716 V CA -0.438 61.851 62.300 -0.017 0.000 0.857 716 V CB 0.933 32.918 31.823 0.271 0.000 0.985 716 V HN 0.587 nan 8.190 nan 0.000 0.443 717 W N 6.307 127.647 121.300 0.067 0.000 2.666 717 W HA 0.591 5.301 4.660 0.084 0.000 0.334 717 W C -2.286 174.219 176.519 -0.023 0.000 1.051 717 W CA -2.381 54.928 57.345 -0.060 0.000 1.224 717 W CB 1.309 30.796 29.460 0.046 0.000 1.405 717 W HN 0.295 nan 8.180 nan 0.000 0.513 718 P HA 0.287 nan 4.420 nan 0.000 0.277 718 P C -0.479 176.914 177.300 0.155 0.000 1.240 718 P CA -0.237 62.941 63.100 0.131 0.000 0.798 718 P CB 1.175 32.875 31.700 0.000 0.000 0.979 719 R N 1.236 121.825 120.500 0.149 0.000 2.686 719 R HA 0.304 4.694 4.340 0.084 0.000 0.283 719 R C -0.752 175.593 176.300 0.074 0.000 0.978 719 R CA -0.873 55.285 56.100 0.098 0.000 0.897 719 R CB 1.114 31.472 30.300 0.096 0.000 1.192 719 R HN 0.440 nan 8.270 nan 0.000 0.457 720 D N 1.549 121.977 120.400 0.045 0.000 2.472 720 D HA 0.013 4.703 4.640 0.084 0.000 0.248 720 D C 1.208 177.530 176.300 0.036 0.000 1.174 720 D CA 1.334 55.356 54.000 0.037 0.000 0.883 720 D CB -0.072 40.739 40.800 0.020 0.000 1.149 720 D HN 0.754 nan 8.370 nan 0.000 0.488 721 N N 0.847 119.572 118.700 0.042 0.000 2.696 721 N HA -0.105 4.685 4.740 0.084 0.000 0.249 721 N C 0.659 176.191 175.510 0.037 0.000 1.090 721 N CA 1.181 54.252 53.050 0.036 0.000 0.716 721 N CB -1.576 36.926 38.487 0.025 0.000 1.020 721 N HN 0.754 nan 8.380 nan 0.000 0.548 722 G N -1.641 107.189 108.800 0.050 0.000 2.788 722 G HA2 0.838 4.848 3.960 0.084 0.000 0.293 722 G HA3 0.838 4.848 3.960 0.084 0.000 0.293 722 G C -2.751 172.195 174.900 0.075 0.000 1.392 722 G CA -0.074 45.058 45.100 0.052 0.000 0.810 722 G HN 0.426 nan 8.290 nan 0.000 0.508 723 P HA 0.258 nan 4.420 nan 0.000 0.274 723 P C -0.404 176.984 177.300 0.146 0.000 1.237 723 P CA -0.732 62.428 63.100 0.100 0.000 0.793 723 P CB 0.525 32.276 31.700 0.085 0.000 0.977 724 N N 0.318 119.126 118.700 0.180 0.000 2.416 724 N HA -0.027 4.763 4.740 0.084 0.000 0.246 724 N C -0.481 175.199 175.510 0.285 0.000 1.260 724 N CA 0.108 53.312 53.050 0.257 0.000 0.897 724 N CB -0.093 38.576 38.487 0.304 0.000 1.110 724 N HN 0.446 nan 8.380 nan 0.000 0.439 725 Y N 1.227 121.639 120.300 0.186 0.000 2.383 725 Y HA 0.259 4.860 4.550 0.084 0.000 0.344 725 Y C -0.543 175.486 175.900 0.214 0.000 0.986 725 Y CA -0.908 57.294 58.100 0.169 0.000 1.175 725 Y CB 0.387 38.940 38.460 0.156 0.000 1.152 725 Y HN 0.141 nan 8.280 nan 0.000 0.511 726 V N 8.059 127.898 119.914 -0.124 0.000 2.320 726 V HA 0.163 4.333 4.120 0.084 0.000 0.265 726 V C 0.015 175.769 176.094 -0.567 0.000 1.048 726 V CA -0.560 61.598 62.300 -0.237 0.000 0.865 726 V CB 0.590 32.381 31.823 -0.054 0.000 1.043 726 V HN 0.741 nan 8.190 nan 0.000 0.474 727 Q N 5.844 125.214 119.800 -0.717 0.000 2.295 727 Q HA 0.448 4.838 4.340 0.084 0.000 0.259 727 Q C -0.301 175.367 176.000 -0.552 0.000 0.976 727 Q CA -0.226 55.107 55.803 -0.784 0.000 0.923 727 Q CB 0.684 29.121 28.738 -0.501 0.000 1.185 727 Q HN 0.688 nan 8.270 nan 0.000 0.410 728 R N 2.872 123.013 120.500 -0.599 0.000 2.888 728 R HA 0.381 4.771 4.340 0.084 0.000 0.266 728 R C -0.213 175.756 176.300 -0.551 0.000 1.020 728 R CA -0.651 55.246 56.100 -0.338 0.000 0.963 728 R CB 1.274 31.509 30.300 -0.107 0.000 1.197 728 R HN 0.749 nan 8.270 nan 0.000 0.481 729 W N 1.109 122.426 121.300 0.027 0.000 2.702 729 W HA 0.387 5.097 4.660 0.084 0.000 0.369 729 W C -0.138 176.392 176.519 0.018 0.000 0.987 729 W CA 0.006 57.367 57.345 0.027 0.000 1.702 729 W CB 0.871 30.345 29.460 0.023 0.000 1.138 729 W HN 0.293 nan 8.180 nan 0.000 0.552 730 I N 1.451 122.123 120.570 0.170 0.000 2.752 730 I HA 0.346 4.567 4.170 0.084 0.000 0.295 730 I C -2.513 173.635 176.117 0.051 0.000 1.219 730 I CA -2.036 59.322 61.300 0.097 0.000 1.030 730 I CB 2.616 40.677 38.000 0.102 0.000 1.259 730 I HN -0.365 nan 8.210 nan 0.000 0.423 731 P HA 0.128 nan 4.420 nan 0.000 0.271 731 P C -1.047 176.270 177.300 0.029 0.000 1.218 731 P CA -0.123 62.986 63.100 0.015 0.000 0.780 731 P CB 0.462 32.164 31.700 0.003 0.000 0.901 732 E N 1.530 121.751 120.200 0.035 0.000 2.465 732 E HA -0.024 4.376 4.350 0.084 0.000 0.260 732 E C -0.622 176.014 176.600 0.061 0.000 0.980 732 E CA 0.153 56.583 56.400 0.049 0.000 0.927 732 E CB 0.198 29.923 29.700 0.041 0.000 0.934 732 E HN 0.347 nan 8.360 nan 0.000 0.459 733 D N 3.090 123.542 120.400 0.087 0.000 2.505 733 D HA 0.241 4.931 4.640 0.084 0.000 0.249 733 D C -0.381 175.985 176.300 0.110 0.000 1.082 733 D CA -0.555 53.523 54.000 0.130 0.000 0.839 733 D CB 0.963 41.898 40.800 0.226 0.000 1.317 733 D HN 0.412 nan 8.370 nan 0.000 0.497 734 R N 2.299 122.855 120.500 0.093 0.000 2.600 734 R HA 0.195 4.585 4.340 0.084 0.000 0.392 734 R C -0.590 175.737 176.300 0.045 0.000 1.032 734 R CA -0.568 55.569 56.100 0.062 0.000 1.139 734 R CB 0.508 30.836 30.300 0.045 0.000 1.400 734 R HN 0.451 nan 8.270 nan 0.000 0.566 735 D N 0.626 121.057 120.400 0.051 0.000 2.423 735 D HA -0.008 4.682 4.640 0.084 0.000 0.238 735 D C -0.241 176.037 176.300 -0.038 0.000 1.142 735 D CA 0.331 54.332 54.000 0.001 0.000 0.884 735 D CB 1.225 42.003 40.800 -0.037 0.000 1.199 735 D HN 0.048 nan 8.370 nan 0.000 0.438 736 C N 1.355 120.634 119.300 -0.034 0.000 2.707 736 C HA 0.749 5.259 4.460 0.084 0.000 0.313 736 C C -0.534 174.432 174.990 -0.039 0.000 1.209 736 C CA -0.219 58.780 59.018 -0.032 0.000 1.635 736 C CB 0.584 28.317 27.740 -0.010 0.000 2.206 736 C HN 0.726 nan 8.230 nan 0.000 0.485 737 S N 4.668 120.347 115.700 -0.036 0.000 2.651 737 S HA 0.719 5.239 4.470 0.084 0.000 0.279 737 S C -1.055 173.541 174.600 -0.006 0.000 1.148 737 S CA -0.836 57.349 58.200 -0.024 0.000 0.837 737 S CB 1.242 64.419 63.200 -0.039 0.000 1.138 737 S HN 0.800 nan 8.310 nan 0.000 0.478 738 M N 2.192 121.794 119.600 0.003 0.000 2.277 738 M HA 0.464 4.994 4.480 0.084 0.000 0.350 738 M C -2.216 174.097 176.300 0.023 0.000 1.180 738 M CA -1.677 53.632 55.300 0.014 0.000 1.103 738 M CB 0.661 33.271 32.600 0.017 0.000 1.577 738 M HN 0.608 nan 8.290 nan 0.000 0.459 739 P HA 0.470 nan 4.420 nan 0.000 0.279 739 P C -2.701 174.630 177.300 0.052 0.000 1.276 739 P CA -1.277 61.853 63.100 0.050 0.000 0.801 739 P CB -0.864 30.875 31.700 0.065 0.000 1.127 740 P HA 0.161 nan 4.420 nan 0.000 0.265 740 P C -2.169 175.163 177.300 0.052 0.000 1.187 740 P CA -0.327 62.800 63.100 0.046 0.000 0.766 740 P CB -1.280 30.445 31.700 0.043 0.000 0.820 741 P HA 0.091 nan 4.420 nan 0.000 0.270 741 P C -0.536 176.815 177.300 0.085 0.000 1.223 741 P CA -0.293 62.850 63.100 0.072 0.000 0.785 741 P CB 0.282 32.014 31.700 0.053 0.000 0.923 742 F N 1.903 121.849 119.950 -0.007 0.000 2.538 742 F HA 0.317 4.894 4.527 0.084 0.000 0.371 742 F C 0.340 176.137 175.800 -0.005 0.000 1.087 742 F CA 0.659 58.651 58.000 -0.012 0.000 1.250 742 F CB 0.281 39.273 39.000 -0.012 0.000 1.110 742 F HN 0.376 nan 8.300 nan 0.000 0.570 743 S N 5.466 120.679 115.700 -0.811 0.000 2.588 743 S HA 0.647 5.167 4.470 0.084 0.000 0.275 743 S C -1.695 172.446 174.600 -0.765 0.000 1.130 743 S CA -0.743 57.100 58.200 -0.596 0.000 0.855 743 S CB 1.921 64.953 63.200 -0.281 0.000 1.116 743 S HN 0.758 nan 8.310 nan 0.000 0.472 744 Y N 1.497 121.494 120.300 -0.505 0.000 2.442 744 Y HA 0.451 5.051 4.550 0.084 0.000 0.330 744 Y C 0.348 176.160 175.900 -0.147 0.000 1.100 744 Y CA -0.679 57.223 58.100 -0.329 0.000 1.034 744 Y CB 1.854 40.195 38.460 -0.198 0.000 1.285 744 Y HN 0.876 nan 8.280 nan 0.000 0.440 745 N N 2.462 120.895 118.700 -0.444 0.000 2.414 745 N HA 0.091 4.881 4.740 0.084 0.000 0.189 745 N C 1.296 176.720 175.510 -0.143 0.000 1.039 745 N CA 1.584 54.496 53.050 -0.229 0.000 0.889 745 N CB 0.437 38.788 38.487 -0.227 0.000 1.085 745 N HN 1.126 nan 8.380 nan 0.000 0.442 746 G N 0.381 109.016 108.800 -0.275 0.000 2.199 746 G HA2 -0.249 3.761 3.960 0.084 0.000 0.254 746 G HA3 -0.249 3.761 3.960 0.084 0.000 0.254 746 G C 0.273 175.203 174.900 0.051 0.000 0.982 746 G CA 1.029 46.124 45.100 -0.008 0.000 0.632 746 G HN 0.750 nan 8.290 nan 0.000 0.529 747 T N -1.154 113.380 114.554 -0.034 0.000 2.945 747 T HA 0.722 5.122 4.350 0.084 0.000 0.286 747 T C -0.452 174.205 174.700 -0.072 0.000 1.025 747 T CA -0.255 61.774 62.100 -0.117 0.000 1.039 747 T CB 1.926 70.698 68.868 -0.159 0.000 1.068 747 T HN 1.295 nan 8.240 nan 0.000 0.497 748 Y N -0.211 119.970 120.300 -0.198 0.000 2.315 748 Y HA 0.813 5.412 4.550 0.083 0.000 0.324 748 Y C -0.502 175.260 175.900 -0.231 0.000 1.062 748 Y CA -1.366 56.512 58.100 -0.370 0.000 1.159 748 Y CB 1.197 39.168 38.460 -0.815 0.000 1.145 748 Y HN 0.509 nan 8.280 nan 0.000 0.442 749 R N 2.101 122.521 120.500 -0.132 0.000 2.836 749 R HA 0.549 4.939 4.340 0.084 0.000 0.269 749 R C -3.201 173.130 176.300 0.050 0.000 1.010 749 R CA -2.457 53.600 56.100 -0.071 0.000 0.930 749 R CB 1.804 32.057 30.300 -0.078 0.000 1.218 749 R HN 0.413 nan 8.270 nan 0.000 0.473 750 P HA 0.134 nan 4.420 nan 0.000 0.269 750 P C -0.346 177.031 177.300 0.128 0.000 1.215 750 P CA -0.191 62.994 63.100 0.141 0.000 0.780 750 P CB 0.618 32.370 31.700 0.087 0.000 0.898 751 V N 0.000 120.032 119.914 0.197 0.000 2.409 751 V HA 0.000 4.170 4.120 0.084 0.000 0.244 751 V CA 0.000 62.376 62.300 0.126 0.000 1.235 751 V CB 0.000 31.926 31.823 0.171 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556