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 3pbl_1_A DATA FIRST_RESID 32 DATA SEQUENCE YALSYCALIL AIVFGNGLVC MAVLKERALQ TTTNYLVVSL AVADLLVATL DATA SEQUENCE VMPWVVYLEV TGGVWNFSRI CcDVFVTLDV MMCTASIWNL CAISIDRYTA DATA SEQUENCE VVMPVHYQHG TGQSSCRRVA LMITAVWVLA FAVSCPLLFG FNTTGDPTVc DATA SEQUENCE SISNPDFVIY SSVVSFYLPF GVTVLVYARI YVVLKQRRRK XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXGVP LREKKATQMV DATA SEQUENCE AIVLGAFIVC WLPFFLTHVL NTHCQTCHVS PELYSATTWL GYVNSALNPV DATA SEQUENCE IYTTFNIEFR KAFLKILSCX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIFEMLRIDE GLRLKIYKDT EGYYTIGIGH DATA SEQUENCE LLTKSPSLNA AKSELDKAIG RNTNGVITKD EAEKLFNQDV DAAVRGILRN DATA SEQUENCE AKLKPVYDSL DAVRRAALIN MVFQMGETGV AGFTNSLRML QQKRWDEAAV DATA SEQUENCE NLAKSRWYNQ TPNRAKRVIT TFRTGTWDAY 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 32 Y HA 0.000 nan 4.550 nan 0.000 0.201 32 Y C 0.000 176.034 175.900 0.223 0.000 1.272 32 Y CA 0.000 58.170 58.100 0.117 0.000 1.940 32 Y CB 0.000 38.629 38.460 0.281 0.000 1.050 33 A N 0.046 122.988 122.820 0.205 0.000 1.881 33 A HA 0.204 4.640 4.320 0.193 0.000 0.210 33 A C 1.536 179.217 177.584 0.161 0.000 1.239 33 A CA 0.862 52.996 52.037 0.162 0.000 0.629 33 A CB 0.036 19.083 19.000 0.078 0.000 0.906 33 A HN 0.354 nan 8.150 nan 0.000 0.460 34 L N 0.063 121.356 121.223 0.116 0.000 2.513 34 L HA 0.067 4.523 4.340 0.193 0.000 0.222 34 L C 2.363 179.309 176.870 0.126 0.000 1.096 34 L CA 0.873 55.773 54.840 0.100 0.000 0.857 34 L CB -0.863 41.228 42.059 0.054 0.000 1.026 34 L HN 0.315 nan 8.230 nan 0.000 0.469 35 S N 0.060 115.844 115.700 0.141 0.000 2.359 35 S HA -0.239 4.347 4.470 0.193 0.000 0.223 35 S C 1.917 176.622 174.600 0.175 0.000 1.039 35 S CA 1.614 59.900 58.200 0.144 0.000 1.042 35 S CB -0.420 62.858 63.200 0.130 0.000 0.915 35 S HN 0.350 nan 8.310 nan 0.000 0.439 36 Y N 1.165 121.586 120.300 0.202 0.000 2.165 36 Y HA -0.248 4.417 4.550 0.192 0.000 0.286 36 Y C 2.884 178.824 175.900 0.067 0.000 1.155 36 Y CA 1.114 59.302 58.100 0.146 0.000 1.164 36 Y CB -0.742 37.784 38.460 0.110 0.000 0.978 36 Y HN 0.341 nan 8.280 nan 0.000 0.513 37 C N -0.772 118.650 119.300 0.204 0.000 2.425 37 C HA -0.167 4.409 4.460 0.193 0.000 0.277 37 C C 2.961 177.992 174.990 0.068 0.000 1.280 37 C CA 0.654 59.735 59.018 0.106 0.000 1.744 37 C CB -1.653 26.134 27.740 0.078 0.000 1.989 37 C HN 0.625 nan 8.230 nan 0.000 0.491 38 A N 0.574 123.435 122.820 0.069 0.000 1.883 38 A HA -0.163 4.273 4.320 0.193 0.000 0.217 38 A C 2.087 179.689 177.584 0.030 0.000 1.186 38 A CA 1.820 53.880 52.037 0.038 0.000 0.624 38 A CB -0.726 18.300 19.000 0.044 0.000 0.822 38 A HN 0.484 nan 8.150 nan 0.000 0.444 39 L N -0.148 121.098 121.223 0.037 0.000 2.017 39 L HA -0.133 4.323 4.340 0.193 0.000 0.208 39 L C 2.320 179.202 176.870 0.021 0.000 1.073 39 L CA 1.638 56.478 54.840 0.000 0.000 0.745 39 L CB -0.375 41.643 42.059 -0.068 0.000 0.894 39 L HN 0.461 nan 8.230 nan 0.000 0.432 40 I N -0.979 119.618 120.570 0.044 0.000 2.113 40 I HA -0.407 3.879 4.170 0.193 0.000 0.242 40 I C 2.297 178.438 176.117 0.040 0.000 1.064 40 I CA 1.792 63.116 61.300 0.040 0.000 1.320 40 I CB -0.316 37.705 38.000 0.035 0.000 1.028 40 I HN 0.288 nan 8.210 nan 0.000 0.406 41 L N -0.027 121.215 121.223 0.033 0.000 2.056 41 L HA -0.152 4.304 4.340 0.193 0.000 0.207 41 L C 2.872 179.786 176.870 0.074 0.000 1.078 41 L CA 1.173 56.034 54.840 0.035 0.000 0.749 41 L CB -0.953 41.101 42.059 -0.009 0.000 0.901 41 L HN 0.242 nan 8.230 nan 0.000 0.433 42 A N 0.651 123.502 122.820 0.052 0.000 1.948 42 A HA -0.226 4.211 4.320 0.193 0.000 0.220 42 A C 2.221 179.888 177.584 0.139 0.000 1.177 42 A CA 1.827 53.920 52.037 0.094 0.000 0.636 42 A CB -0.673 18.353 19.000 0.043 0.000 0.815 42 A HN 0.383 nan 8.150 nan 0.000 0.449 43 I N -0.705 119.920 120.570 0.092 0.000 2.233 43 I HA -0.158 4.128 4.170 0.193 0.000 0.243 43 I C 2.212 178.388 176.117 0.097 0.000 1.093 43 I CA 0.993 62.345 61.300 0.086 0.000 1.380 43 I CB -0.252 37.791 38.000 0.070 0.000 1.067 43 I HN 0.145 nan 8.210 nan 0.000 0.413 44 V N 0.546 120.520 119.914 0.100 0.000 2.626 44 V HA -0.260 3.976 4.120 0.193 0.000 0.252 44 V C 2.138 178.302 176.094 0.116 0.000 1.067 44 V CA 1.521 63.876 62.300 0.090 0.000 1.081 44 V CB -0.755 31.114 31.823 0.076 0.000 0.686 44 V HN 0.322 nan 8.190 nan 0.000 0.468 45 F N 2.034 121.977 119.950 -0.011 0.000 2.037 45 F HA 0.096 4.739 4.527 0.193 0.000 0.291 45 F C 2.295 178.065 175.800 -0.049 0.000 1.137 45 F CA 1.741 59.724 58.000 -0.028 0.000 1.178 45 F CB -1.051 37.937 39.000 -0.019 0.000 0.995 45 F HN 0.127 nan 8.300 nan 0.000 0.472 46 G N 0.222 109.012 108.800 -0.018 0.000 2.433 46 G HA2 -0.288 3.788 3.960 0.193 0.000 0.216 46 G HA3 -0.288 3.788 3.960 0.193 0.000 0.216 46 G C 1.467 176.284 174.900 -0.138 0.000 1.186 46 G CA 1.010 46.033 45.100 -0.128 0.000 0.779 46 G HN 0.454 nan 8.290 nan 0.000 0.543 47 N N 1.044 119.728 118.700 -0.026 0.000 2.396 47 N HA -0.060 4.796 4.740 0.193 0.000 0.180 47 N C 2.322 177.810 175.510 -0.036 0.000 1.028 47 N CA 0.738 53.796 53.050 0.012 0.000 0.893 47 N CB -0.060 38.474 38.487 0.077 0.000 0.967 47 N HN 0.353 nan 8.380 nan 0.000 0.440 48 G N 1.470 110.221 108.800 -0.082 0.000 2.422 48 G HA2 -0.117 3.959 3.960 0.193 0.000 0.218 48 G HA3 -0.117 3.959 3.960 0.193 0.000 0.218 48 G C 1.661 176.441 174.900 -0.199 0.000 1.140 48 G CA 0.158 45.197 45.100 -0.102 0.000 0.775 48 G HN 0.131 nan 8.290 nan 0.000 0.545 49 L N 0.026 121.025 121.223 -0.373 0.000 2.023 49 L HA -0.034 4.422 4.340 0.193 0.000 0.205 49 L C 2.988 179.586 176.870 -0.454 0.000 1.073 49 L CA 0.390 54.888 54.840 -0.570 0.000 0.745 49 L CB -0.528 40.906 42.059 -1.042 0.000 0.900 49 L HN 0.055 nan 8.230 nan 0.000 0.435 50 V N -0.353 119.362 119.914 -0.331 0.000 2.313 50 V HA -0.430 3.807 4.120 0.193 0.000 0.253 50 V C 2.588 178.705 176.094 0.038 0.000 1.070 50 V CA 2.234 64.512 62.300 -0.036 0.000 1.057 50 V CB -0.638 31.208 31.823 0.038 0.000 0.653 50 V HN 0.600 nan 8.190 nan 0.000 0.450 51 C N -1.146 118.154 119.300 0.001 0.000 2.453 51 C HA -0.137 4.439 4.460 0.193 0.000 0.277 51 C C 2.809 177.815 174.990 0.025 0.000 1.262 51 C CA 0.813 59.854 59.018 0.038 0.000 1.718 51 C CB -0.901 26.859 27.740 0.034 0.000 2.031 51 C HN 0.502 nan 8.230 nan 0.000 0.480 52 M N 1.150 120.730 119.600 -0.033 0.000 2.108 52 M HA -0.166 4.430 4.480 0.193 0.000 0.261 52 M C 2.510 178.817 176.300 0.012 0.000 1.066 52 M CA 2.116 57.396 55.300 -0.033 0.000 1.107 52 M CB -1.220 31.322 32.600 -0.098 0.000 1.356 52 M HN 0.498 nan 8.290 nan 0.000 0.406 53 A N -0.117 122.735 122.820 0.053 0.000 1.858 53 A HA -0.103 4.334 4.320 0.193 0.000 0.216 53 A C 2.354 180.010 177.584 0.121 0.000 1.190 53 A CA 1.826 53.964 52.037 0.168 0.000 0.617 53 A CB -1.026 18.257 19.000 0.471 0.000 0.827 53 A HN 0.290 nan 8.150 nan 0.000 0.443 54 V N 0.077 120.070 119.914 0.133 0.000 2.295 54 V HA -0.264 3.973 4.120 0.193 0.000 0.246 54 V C 2.608 178.709 176.094 0.011 0.000 1.049 54 V CA 2.085 64.401 62.300 0.028 0.000 1.024 54 V CB -0.805 31.031 31.823 0.022 0.000 0.648 54 V HN 0.563 nan 8.190 nan 0.000 0.447 55 L N -0.739 120.515 121.223 0.053 0.000 2.079 55 L HA -0.174 4.282 4.340 0.193 0.000 0.210 55 L C 2.628 179.523 176.870 0.043 0.000 1.081 55 L CA 1.508 56.388 54.840 0.066 0.000 0.752 55 L CB -0.525 41.572 42.059 0.064 0.000 0.896 55 L HN 0.234 nan 8.230 nan 0.000 0.433 56 K N -0.079 120.339 120.400 0.030 0.000 2.078 56 K HA 0.018 4.454 4.320 0.193 0.000 0.203 56 K C 0.688 177.294 176.600 0.010 0.000 1.043 56 K CA 0.265 56.565 56.287 0.021 0.000 0.960 56 K CB 0.002 32.513 32.500 0.020 0.000 0.761 56 K HN 0.047 nan 8.250 nan 0.000 0.448 57 E N 2.179 122.381 120.200 0.004 0.000 2.220 57 E HA -0.026 4.440 4.350 0.193 0.000 0.272 57 E C 0.953 177.526 176.600 -0.045 0.000 1.099 57 E CA 0.101 56.490 56.400 -0.019 0.000 0.907 57 E CB 0.699 30.383 29.700 -0.028 0.000 1.022 57 E HN 0.027 nan 8.360 nan 0.000 0.428 58 R N 4.023 124.503 120.500 -0.034 0.000 2.096 58 R HA -0.272 4.184 4.340 0.193 0.000 0.240 58 R C 1.668 177.928 176.300 -0.067 0.000 1.139 58 R CA 1.839 57.917 56.100 -0.037 0.000 0.952 58 R CB -0.311 29.974 30.300 -0.025 0.000 0.854 58 R HN 0.629 nan 8.270 nan 0.000 0.436 59 A N 0.988 123.760 122.820 -0.079 0.000 1.908 59 A HA -0.141 4.295 4.320 0.193 0.000 0.218 59 A C 2.136 179.625 177.584 -0.159 0.000 1.181 59 A CA 1.367 53.342 52.037 -0.104 0.000 0.627 59 A CB -0.521 18.418 19.000 -0.102 0.000 0.818 59 A HN 0.397 nan 8.150 nan 0.000 0.445 60 L N -0.524 120.578 121.223 -0.201 0.000 2.610 60 L HA -0.051 4.405 4.340 0.193 0.000 0.232 60 L C 0.924 177.601 176.870 -0.322 0.000 1.149 60 L CA 0.175 54.834 54.840 -0.302 0.000 0.872 60 L CB -0.283 41.567 42.059 -0.348 0.000 0.992 60 L HN 0.466 nan 8.230 nan 0.000 0.447 61 Q N 1.139 120.774 119.800 -0.275 0.000 3.254 61 Q HA 0.055 4.511 4.340 0.193 0.000 0.315 61 Q C 0.345 176.137 176.000 -0.347 0.000 1.405 61 Q CA -0.110 55.441 55.803 -0.419 0.000 0.966 61 Q CB -0.117 28.551 28.738 -0.117 0.000 1.706 61 Q HN 0.325 nan 8.270 nan 0.000 0.525 62 T N -4.569 109.761 114.554 -0.374 0.000 2.950 62 T HA 0.246 4.712 4.350 0.193 0.000 0.288 62 T C 1.254 175.949 174.700 -0.009 0.000 1.035 62 T CA -0.687 61.342 62.100 -0.118 0.000 1.028 62 T CB 1.702 70.529 68.868 -0.069 0.000 1.109 62 T HN 0.035 nan 8.240 nan 0.000 0.514 63 T N 1.526 116.171 114.554 0.153 0.000 2.720 63 T HA -0.128 4.338 4.350 0.193 0.000 0.268 63 T C 2.055 176.875 174.700 0.200 0.000 1.037 63 T CA 2.254 64.498 62.100 0.240 0.000 1.144 63 T CB -0.848 68.097 68.868 0.128 0.000 0.864 63 T HN 0.822 nan 8.240 nan 0.000 0.444 64 T N 2.541 117.189 114.554 0.157 0.000 2.622 64 T HA -0.146 4.320 4.350 0.193 0.000 0.266 64 T C 2.061 176.819 174.700 0.096 0.000 1.047 64 T CA 1.285 63.466 62.100 0.135 0.000 1.159 64 T CB -0.469 68.471 68.868 0.120 0.000 0.863 64 T HN 0.323 nan 8.240 nan 0.000 0.422 65 N N 0.462 119.170 118.700 0.012 0.000 2.069 65 N HA -0.089 4.767 4.740 0.193 0.000 0.191 65 N C 1.689 177.207 175.510 0.014 0.000 1.031 65 N CA 1.219 54.253 53.050 -0.027 0.000 0.852 65 N CB -0.690 37.697 38.487 -0.166 0.000 1.018 65 N HN 0.432 nan 8.380 nan 0.000 0.423 66 Y N 1.328 121.671 120.300 0.072 0.000 2.193 66 Y HA -0.085 4.580 4.550 0.192 0.000 0.285 66 Y C 2.331 178.287 175.900 0.095 0.000 1.166 66 Y CA 0.719 58.864 58.100 0.076 0.000 1.181 66 Y CB -0.616 37.879 38.460 0.057 0.000 0.976 66 Y HN 0.065 nan 8.280 nan 0.000 0.520 67 L N -1.607 119.758 121.223 0.238 0.000 2.156 67 L HA -0.150 4.306 4.340 0.193 0.000 0.208 67 L C 2.193 179.156 176.870 0.156 0.000 1.095 67 L CA 0.438 55.384 54.840 0.176 0.000 0.770 67 L CB -0.549 41.594 42.059 0.139 0.000 0.914 67 L HN 0.061 nan 8.230 nan 0.000 0.439 68 V N -0.753 119.244 119.914 0.138 0.000 2.407 68 V HA -0.239 3.997 4.120 0.193 0.000 0.248 68 V C 2.438 178.615 176.094 0.137 0.000 1.055 68 V CA 1.258 63.629 62.300 0.118 0.000 1.049 68 V CB -0.146 31.673 31.823 -0.006 0.000 0.662 68 V HN 0.177 nan 8.190 nan 0.000 0.455 69 V N 0.740 120.744 119.914 0.151 0.000 2.233 69 V HA -0.288 3.949 4.120 0.193 0.000 0.247 69 V C 2.812 179.034 176.094 0.214 0.000 1.050 69 V CA 2.617 65.022 62.300 0.174 0.000 1.010 69 V CB -0.831 31.114 31.823 0.203 0.000 0.637 69 V HN 0.772 nan 8.190 nan 0.000 0.444 70 S N -0.014 115.836 115.700 0.250 0.000 2.383 70 S HA -0.221 4.365 4.470 0.193 0.000 0.229 70 S C 1.993 176.770 174.600 0.295 0.000 1.030 70 S CA 1.980 60.388 58.200 0.347 0.000 1.002 70 S CB -0.556 62.877 63.200 0.388 0.000 0.829 70 S HN 0.400 nan 8.310 nan 0.000 0.467 71 L N 1.936 123.271 121.223 0.187 0.000 2.093 71 L HA 0.236 4.692 4.340 0.193 0.000 0.208 71 L C 2.646 179.636 176.870 0.200 0.000 1.085 71 L CA 1.728 56.658 54.840 0.151 0.000 0.755 71 L CB -1.295 40.849 42.059 0.141 0.000 0.904 71 L HN 0.388 nan 8.230 nan 0.000 0.435 72 A N -1.225 121.722 122.820 0.211 0.000 1.969 72 A HA -0.104 4.332 4.320 0.193 0.000 0.218 72 A C 2.204 179.906 177.584 0.197 0.000 1.169 72 A CA 1.730 53.884 52.037 0.196 0.000 0.635 72 A CB -0.940 18.160 19.000 0.167 0.000 0.810 72 A HN 0.305 nan 8.150 nan 0.000 0.445 73 V N -0.178 119.881 119.914 0.241 0.000 2.515 73 V HA -0.203 4.034 4.120 0.193 0.000 0.250 73 V C 2.976 179.273 176.094 0.337 0.000 1.058 73 V CA 1.628 64.084 62.300 0.261 0.000 1.064 73 V CB -1.182 30.812 31.823 0.285 0.000 0.675 73 V HN 0.589 nan 8.190 nan 0.000 0.461 74 A N 0.053 123.120 122.820 0.411 0.000 2.024 74 A HA -0.233 4.203 4.320 0.193 0.000 0.220 74 A C 1.929 179.678 177.584 0.274 0.000 1.164 74 A CA 2.033 54.304 52.037 0.390 0.000 0.643 74 A CB -0.409 18.712 19.000 0.202 0.000 0.806 74 A HN 0.583 nan 8.150 nan 0.000 0.451 75 D N -0.466 120.071 120.400 0.228 0.000 2.240 75 D HA 0.049 4.805 4.640 0.193 0.000 0.206 75 D C 1.932 178.330 176.300 0.162 0.000 0.963 75 D CA 0.465 54.582 54.000 0.194 0.000 0.863 75 D CB -0.248 40.655 40.800 0.171 0.000 0.973 75 D HN 0.420 nan 8.370 nan 0.000 0.501 76 L N 0.563 121.877 121.223 0.151 0.000 2.017 76 L HA -0.114 4.343 4.340 0.193 0.000 0.208 76 L C 2.543 179.478 176.870 0.109 0.000 1.073 76 L CA 0.772 55.680 54.840 0.112 0.000 0.745 76 L CB -0.288 41.827 42.059 0.094 0.000 0.894 76 L HN -0.006 nan 8.230 nan 0.000 0.432 77 L N -1.286 120.019 121.223 0.137 0.000 1.994 77 L HA -0.223 4.233 4.340 0.193 0.000 0.208 77 L C 2.579 179.530 176.870 0.135 0.000 1.071 77 L CA 0.951 55.867 54.840 0.126 0.000 0.745 77 L CB -0.600 41.549 42.059 0.150 0.000 0.892 77 L HN 0.033 nan 8.230 nan 0.000 0.431 78 V N 0.343 120.362 119.914 0.174 0.000 2.317 78 V HA -0.387 3.849 4.120 0.193 0.000 0.251 78 V C 2.663 178.831 176.094 0.122 0.000 1.065 78 V CA 2.124 64.536 62.300 0.186 0.000 1.049 78 V CB -0.738 31.239 31.823 0.257 0.000 0.651 78 V HN 0.543 nan 8.190 nan 0.000 0.450 79 A N -0.515 122.364 122.820 0.098 0.000 2.066 79 A HA -0.127 4.309 4.320 0.193 0.000 0.218 79 A C 2.301 179.891 177.584 0.010 0.000 1.157 79 A CA 2.029 54.096 52.037 0.049 0.000 0.670 79 A CB -0.458 18.578 19.000 0.059 0.000 0.804 79 A HN 0.669 nan 8.150 nan 0.000 0.453 80 T N -4.310 110.255 114.554 0.018 0.000 2.971 80 T HA 0.365 4.831 4.350 0.193 0.000 0.252 80 T C 1.201 175.875 174.700 -0.042 0.000 1.022 80 T CA 0.462 62.549 62.100 -0.021 0.000 0.980 80 T CB -0.064 68.804 68.868 0.000 0.000 1.044 80 T HN 0.232 nan 8.240 nan 0.000 0.501 81 L N -0.101 121.134 121.223 0.019 0.000 2.878 81 L HA 0.448 4.904 4.340 0.193 0.000 0.253 81 L C 1.737 178.716 176.870 0.182 0.000 1.135 81 L CA -0.012 54.873 54.840 0.074 0.000 0.943 81 L CB 0.686 42.824 42.059 0.133 0.000 1.307 81 L HN 0.099 nan 8.230 nan 0.000 0.545 82 V N -0.819 119.193 119.914 0.163 0.000 2.996 82 V HA 0.070 4.306 4.120 0.193 0.000 0.235 82 V C 2.038 178.277 176.094 0.241 0.000 1.205 82 V CA 0.589 63.078 62.300 0.315 0.000 1.225 82 V CB 0.577 32.533 31.823 0.222 0.000 0.995 82 V HN 0.210 nan 8.190 nan 0.000 0.484 83 M N 0.317 119.929 119.600 0.019 0.000 2.394 83 M HA -0.035 4.562 4.480 0.193 0.000 0.264 83 M C -0.657 175.580 176.300 -0.104 0.000 1.073 83 M CA 1.610 56.848 55.300 -0.104 0.000 1.111 83 M CB -1.154 31.359 32.600 -0.145 0.000 1.401 83 M HN 0.282 nan 8.290 nan 0.000 0.448 84 P HA -0.151 nan 4.420 nan 0.000 0.217 84 P C 0.744 177.910 177.300 -0.222 0.000 1.150 84 P CA 1.448 64.352 63.100 -0.327 0.000 0.832 84 P CB -0.215 31.097 31.700 -0.648 0.000 0.787 85 W N -0.983 120.339 121.300 0.036 0.000 2.418 85 W HA -0.076 4.699 4.660 0.192 0.000 0.292 85 W C 2.092 178.604 176.519 -0.012 0.000 1.213 85 W CA -0.044 57.292 57.345 -0.016 0.000 1.283 85 W CB -1.170 28.191 29.460 -0.166 0.000 1.119 85 W HN -0.292 nan 8.180 nan 0.000 0.542 86 V N 0.392 120.435 119.914 0.215 0.000 2.469 86 V HA -0.282 3.954 4.120 0.193 0.000 0.251 86 V C 1.805 177.798 176.094 -0.169 0.000 1.064 86 V CA 1.443 63.755 62.300 0.019 0.000 1.066 86 V CB -0.979 30.744 31.823 -0.167 0.000 0.667 86 V HN 0.092 nan 8.190 nan 0.000 0.461 87 V N -1.043 118.794 119.914 -0.129 0.000 2.719 87 V HA -0.201 4.035 4.120 0.193 0.000 0.252 87 V C 2.091 178.205 176.094 0.034 0.000 1.065 87 V CA 1.792 64.028 62.300 -0.107 0.000 1.086 87 V CB -0.844 30.954 31.823 -0.042 0.000 0.700 87 V HN 0.673 nan 8.190 nan 0.000 0.467 88 Y N 0.752 121.063 120.300 0.019 0.000 2.184 88 Y HA -0.077 4.588 4.550 0.193 0.000 0.290 88 Y C 2.098 178.055 175.900 0.095 0.000 1.129 88 Y CA 1.457 59.610 58.100 0.088 0.000 1.144 88 Y CB -0.212 38.360 38.460 0.187 0.000 0.995 88 Y HN 0.125 nan 8.280 nan 0.000 0.513 89 L N 0.372 121.564 121.223 -0.051 0.000 2.362 89 L HA -0.137 4.319 4.340 0.193 0.000 0.219 89 L C 2.251 179.064 176.870 -0.095 0.000 1.134 89 L CA 0.988 55.760 54.840 -0.114 0.000 0.807 89 L CB -0.377 41.737 42.059 0.091 0.000 0.927 89 L HN 0.328 nan 8.230 nan 0.000 0.447 90 E N -0.323 119.827 120.200 -0.083 0.000 2.112 90 E HA -0.110 4.356 4.350 0.193 0.000 0.190 90 E C 2.313 178.893 176.600 -0.032 0.000 0.979 90 E CA 0.860 57.234 56.400 -0.042 0.000 0.814 90 E CB 0.086 29.744 29.700 -0.071 0.000 0.762 90 E HN 0.289 nan 8.360 nan 0.000 0.460 91 V N 1.666 121.540 119.914 -0.067 0.000 2.295 91 V HA -0.163 4.073 4.120 0.193 0.000 0.246 91 V C 1.755 177.799 176.094 -0.085 0.000 1.049 91 V CA 1.776 64.046 62.300 -0.051 0.000 1.024 91 V CB -0.843 30.964 31.823 -0.027 0.000 0.648 91 V HN 0.348 nan 8.190 nan 0.000 0.447 92 T N -0.985 113.458 114.554 -0.185 0.000 2.828 92 T HA 0.342 4.808 4.350 0.193 0.000 0.290 92 T C 1.067 175.717 174.700 -0.083 0.000 1.019 92 T CA 0.071 62.077 62.100 -0.157 0.000 1.031 92 T CB 1.325 70.034 68.868 -0.266 0.000 1.001 92 T HN 0.338 nan 8.240 nan 0.000 0.531 93 G N -1.017 107.758 108.800 -0.042 0.000 3.295 93 G HA2 0.439 4.515 3.960 0.193 0.000 0.231 93 G HA3 0.439 4.515 3.960 0.193 0.000 0.231 93 G C 1.011 175.919 174.900 0.012 0.000 1.277 93 G CA -0.252 44.846 45.100 -0.004 0.000 1.013 93 G HN 1.851 nan 8.290 nan 0.000 0.509 94 G N -1.497 107.304 108.800 0.003 0.000 2.173 94 G HA2 -0.133 3.943 3.960 0.193 0.000 0.174 94 G HA3 -0.133 3.943 3.960 0.193 0.000 0.174 94 G C -0.187 174.750 174.900 0.063 0.000 1.025 94 G CA -0.177 44.950 45.100 0.044 0.000 0.706 94 G HN 0.711 nan 8.290 nan 0.000 0.499 95 V N 1.021 120.954 119.914 0.032 0.000 2.459 95 V HA 0.710 4.946 4.120 0.193 0.000 0.295 95 V C 0.008 176.205 176.094 0.172 0.000 1.029 95 V CA -0.907 61.442 62.300 0.081 0.000 0.874 95 V CB 1.931 33.768 31.823 0.022 0.000 0.985 95 V HN 0.379 nan 8.190 nan 0.000 0.438 96 W N 5.617 126.958 121.300 0.069 0.000 2.336 96 W HA 0.406 5.184 4.660 0.197 0.000 0.315 96 W C -0.185 176.422 176.519 0.148 0.000 1.016 96 W CA -0.609 56.852 57.345 0.194 0.000 1.318 96 W CB 1.645 31.180 29.460 0.125 0.000 1.247 96 W HN 0.680 nan 8.180 nan 0.000 0.414 97 N N 4.284 122.858 118.700 -0.210 0.000 2.353 97 N HA 0.000 4.856 4.740 0.193 0.000 0.185 97 N C -0.161 174.957 175.510 -0.653 0.000 1.098 97 N CA 0.342 53.175 53.050 -0.361 0.000 0.872 97 N CB 0.242 38.519 38.487 -0.349 0.000 0.970 97 N HN 0.168 nan 8.380 nan 0.000 0.467 98 F N 0.848 120.199 119.950 -0.998 0.000 2.380 98 F HA 0.205 4.849 4.527 0.194 0.000 0.319 98 F C 1.490 177.179 175.800 -0.186 0.000 1.113 98 F CA -0.816 56.736 58.000 -0.747 0.000 1.056 98 F CB 0.517 38.825 39.000 -1.152 0.000 1.289 98 F HN -0.271 nan 8.300 nan 0.000 0.515 99 S N 1.177 116.972 115.700 0.159 0.000 2.558 99 S HA -0.025 4.561 4.470 0.193 0.000 0.291 99 S C 1.538 176.334 174.600 0.328 0.000 1.306 99 S CA -0.627 57.684 58.200 0.186 0.000 1.056 99 S CB 0.487 63.754 63.200 0.112 0.000 0.836 99 S HN 0.549 nan 8.310 nan 0.000 0.504 100 R N 3.153 123.783 120.500 0.217 0.000 2.127 100 R HA -0.076 4.380 4.340 0.193 0.000 0.238 100 R C 1.900 178.244 176.300 0.074 0.000 1.134 100 R CA 1.347 57.533 56.100 0.144 0.000 0.975 100 R CB -1.112 29.230 30.300 0.070 0.000 0.865 100 R HN 0.729 nan 8.270 nan 0.000 0.447 101 I N -0.271 120.341 120.570 0.071 0.000 2.286 101 I HA -0.258 4.028 4.170 0.193 0.000 0.248 101 I C 2.625 178.763 176.117 0.036 0.000 1.115 101 I CA 1.093 62.412 61.300 0.032 0.000 1.392 101 I CB -0.537 37.483 38.000 0.032 0.000 1.065 101 I HN 0.129 nan 8.210 nan 0.000 0.418 102 C N -0.387 118.968 119.300 0.092 0.000 2.448 102 C HA -0.109 4.467 4.460 0.193 0.000 0.280 102 C C 3.204 178.244 174.990 0.083 0.000 1.398 102 C CA 0.600 59.657 59.018 0.064 0.000 1.774 102 C CB -1.343 26.407 27.740 0.016 0.000 1.888 102 C HN 0.770 nan 8.230 nan 0.000 0.519 103 c N 0.767 119.402 118.600 0.058 0.000 2.486 103 c HA -0.009 4.677 4.570 0.193 0.000 0.279 103 c C 2.362 176.362 174.090 -0.151 0.000 1.302 103 c CA 1.625 57.716 56.329 -0.396 0.000 1.720 103 c CB -1.330 40.760 42.510 -0.701 0.000 2.030 103 c HN 0.603 nan 8.230 nan 0.000 0.490 104 D N 0.679 121.019 120.400 -0.101 0.000 2.087 104 D HA -0.125 4.631 4.640 0.193 0.000 0.192 104 D C 2.358 178.611 176.300 -0.079 0.000 0.993 104 D CA 1.633 55.571 54.000 -0.103 0.000 0.828 104 D CB -0.794 39.940 40.800 -0.110 0.000 0.968 104 D HN 0.391 nan 8.370 nan 0.000 0.448 105 V N 1.409 121.302 119.914 -0.035 0.000 2.250 105 V HA -0.298 3.938 4.120 0.193 0.000 0.250 105 V C 2.293 178.422 176.094 0.059 0.000 1.060 105 V CA 2.009 64.319 62.300 0.018 0.000 1.030 105 V CB -0.705 31.151 31.823 0.055 0.000 0.643 105 V HN 0.137 nan 8.190 nan 0.000 0.445 106 F N 0.703 120.604 119.950 -0.082 0.000 2.091 106 F HA -0.207 4.439 4.527 0.198 0.000 0.299 106 F C 2.147 177.948 175.800 0.001 0.000 1.103 106 F CA 2.281 60.266 58.000 -0.025 0.000 1.228 106 F CB -0.606 38.264 39.000 -0.217 0.000 0.984 106 F HN 0.000 nan 8.300 nan 0.000 0.477 107 V N 0.709 120.372 119.914 -0.418 0.000 2.453 107 V HA -0.255 3.982 4.120 0.193 0.000 0.247 107 V C 2.699 178.631 176.094 -0.270 0.000 1.048 107 V CA 2.134 64.135 62.300 -0.499 0.000 1.049 107 V CB -1.402 30.279 31.823 -0.236 0.000 0.672 107 V HN 0.679 nan 8.190 nan 0.000 0.457 108 T N -1.009 113.451 114.554 -0.157 0.000 2.674 108 T HA -0.193 4.273 4.350 0.193 0.000 0.265 108 T C 1.909 176.595 174.700 -0.022 0.000 1.039 108 T CA 1.513 63.566 62.100 -0.079 0.000 1.150 108 T CB -0.505 68.317 68.868 -0.076 0.000 0.864 108 T HN 0.186 nan 8.240 nan 0.000 0.427 109 L N 2.338 123.562 121.223 0.001 0.000 1.997 109 L HA -0.083 4.373 4.340 0.193 0.000 0.216 109 L C 2.564 179.457 176.870 0.037 0.000 1.074 109 L CA 2.155 57.037 54.840 0.070 0.000 0.763 109 L CB -1.362 40.766 42.059 0.114 0.000 0.890 109 L HN 0.376 nan 8.230 nan 0.000 0.434 110 D N -1.054 119.297 120.400 -0.082 0.000 2.133 110 D HA -0.171 4.585 4.640 0.193 0.000 0.195 110 D C 2.133 178.401 176.300 -0.054 0.000 0.997 110 D CA 1.278 55.233 54.000 -0.074 0.000 0.840 110 D CB 0.088 40.740 40.800 -0.248 0.000 0.947 110 D HN 0.128 nan 8.370 nan 0.000 0.452 111 V N 0.388 120.272 119.914 -0.049 0.000 2.358 111 V HA -0.194 4.042 4.120 0.193 0.000 0.246 111 V C 2.512 178.624 176.094 0.029 0.000 1.047 111 V CA 1.695 63.992 62.300 -0.005 0.000 1.035 111 V CB -0.497 31.376 31.823 0.084 0.000 0.658 111 V HN 0.347 nan 8.190 nan 0.000 0.452 112 M N -0.853 118.793 119.600 0.077 0.000 2.099 112 M HA -0.176 4.420 4.480 0.193 0.000 0.262 112 M C 2.276 178.671 176.300 0.158 0.000 1.067 112 M CA 1.856 57.244 55.300 0.147 0.000 1.124 112 M CB -0.089 32.651 32.600 0.233 0.000 1.353 112 M HN 0.224 nan 8.290 nan 0.000 0.410 113 M N -0.467 119.233 119.600 0.167 0.000 2.067 113 M HA -0.235 4.361 4.480 0.193 0.000 0.260 113 M C 2.540 178.867 176.300 0.046 0.000 1.069 113 M CA 1.447 56.852 55.300 0.174 0.000 1.117 113 M CB -2.144 30.582 32.600 0.211 0.000 1.334 113 M HN 0.532 nan 8.290 nan 0.000 0.407 114 C N 0.665 119.943 119.300 -0.036 0.000 2.413 114 C HA -0.157 4.419 4.460 0.193 0.000 0.277 114 C C 2.892 177.810 174.990 -0.119 0.000 1.265 114 C CA 1.693 60.594 59.018 -0.195 0.000 1.752 114 C CB -1.019 26.413 27.740 -0.513 0.000 1.998 114 C HN 0.575 nan 8.230 nan 0.000 0.489 115 T N 0.584 115.114 114.554 -0.040 0.000 2.708 115 T HA -0.091 4.375 4.350 0.193 0.000 0.266 115 T C 2.084 176.817 174.700 0.054 0.000 1.037 115 T CA 1.701 63.831 62.100 0.051 0.000 1.146 115 T CB -0.497 68.423 68.868 0.086 0.000 0.865 115 T HN 0.695 nan 8.240 nan 0.000 0.435 116 A N 1.066 123.837 122.820 -0.082 0.000 1.940 116 A HA -0.114 4.323 4.320 0.193 0.000 0.219 116 A C 2.604 180.026 177.584 -0.270 0.000 1.176 116 A CA 2.055 53.887 52.037 -0.341 0.000 0.631 116 A CB -0.879 17.635 19.000 -0.810 0.000 0.814 116 A HN 0.434 nan 8.150 nan 0.000 0.446 117 S N -0.607 115.000 115.700 -0.156 0.000 2.344 117 S HA -0.148 4.438 4.470 0.193 0.000 0.217 117 S C 1.897 176.306 174.600 -0.318 0.000 1.033 117 S CA 1.424 59.553 58.200 -0.120 0.000 1.017 117 S CB -0.472 62.799 63.200 0.119 0.000 0.941 117 S HN 0.545 nan 8.310 nan 0.000 0.430 118 I N 0.490 120.769 120.570 -0.485 0.000 2.248 118 I HA -0.171 4.115 4.170 0.193 0.000 0.248 118 I C 1.737 177.498 176.117 -0.593 0.000 1.107 118 I CA 1.338 62.151 61.300 -0.813 0.000 1.373 118 I CB -0.314 37.235 38.000 -0.752 0.000 1.055 118 I HN 0.397 nan 8.210 nan 0.000 0.418 119 W N 0.460 121.569 121.300 -0.319 0.000 2.407 119 W HA -0.123 4.510 4.660 -0.046 0.000 0.305 119 W C 2.595 178.980 176.519 -0.224 0.000 1.196 119 W CA 0.966 58.161 57.345 -0.249 0.000 1.311 119 W CB -0.656 28.671 29.460 -0.222 0.000 1.135 119 W HN 0.077 nan 8.180 nan 0.000 0.514 120 N N 0.453 119.131 118.700 -0.037 0.000 2.037 120 N HA -0.209 4.647 4.740 0.193 0.000 0.196 120 N C 1.598 177.073 175.510 -0.058 0.000 1.034 120 N CA 1.572 54.584 53.050 -0.063 0.000 0.861 120 N CB -1.012 37.416 38.487 -0.099 0.000 1.039 120 N HN 0.032 nan 8.380 nan 0.000 0.427 121 L N 1.129 122.266 121.223 -0.144 0.000 2.043 121 L HA -0.187 4.270 4.340 0.193 0.000 0.212 121 L C 2.799 179.598 176.870 -0.119 0.000 1.075 121 L CA 1.329 56.077 54.840 -0.152 0.000 0.752 121 L CB -1.174 40.685 42.059 -0.334 0.000 0.891 121 L HN 0.353 nan 8.230 nan 0.000 0.432 122 C N -1.251 117.945 119.300 -0.172 0.000 2.440 122 C HA -0.037 4.539 4.460 0.193 0.000 0.278 122 C C 2.994 177.967 174.990 -0.029 0.000 1.295 122 C CA 0.604 59.541 59.018 -0.134 0.000 1.738 122 C CB -1.209 26.392 27.740 -0.232 0.000 1.987 122 C HN 0.582 nan 8.230 nan 0.000 0.492 123 A N 0.725 123.560 122.820 0.025 0.000 1.883 123 A HA -0.115 4.322 4.320 0.193 0.000 0.217 123 A C 2.122 179.732 177.584 0.043 0.000 1.186 123 A CA 2.107 54.174 52.037 0.050 0.000 0.624 123 A CB -0.788 18.248 19.000 0.059 0.000 0.822 123 A HN 0.667 nan 8.150 nan 0.000 0.444 124 I N -0.005 120.589 120.570 0.041 0.000 2.208 124 I HA -0.271 4.015 4.170 0.193 0.000 0.245 124 I C 2.730 178.861 176.117 0.023 0.000 1.097 124 I CA 1.532 62.867 61.300 0.057 0.000 1.363 124 I CB -0.249 37.798 38.000 0.079 0.000 1.051 124 I HN 0.267 nan 8.210 nan 0.000 0.413 125 S N 0.858 116.551 115.700 -0.010 0.000 2.365 125 S HA -0.202 4.384 4.470 0.193 0.000 0.225 125 S C 1.991 176.501 174.600 -0.151 0.000 1.039 125 S CA 1.549 59.675 58.200 -0.124 0.000 1.033 125 S CB -0.454 62.672 63.200 -0.123 0.000 0.887 125 S HN 0.363 nan 8.310 nan 0.000 0.447 126 I N 1.501 122.029 120.570 -0.070 0.000 2.226 126 I HA -0.214 4.072 4.170 0.193 0.000 0.245 126 I C 2.424 178.588 176.117 0.078 0.000 1.100 126 I CA 1.549 62.846 61.300 -0.005 0.000 1.374 126 I CB -0.498 37.505 38.000 0.005 0.000 1.057 126 I HN 0.295 nan 8.210 nan 0.000 0.413 127 D N 0.757 121.195 120.400 0.064 0.000 2.123 127 D HA -0.218 4.538 4.640 0.193 0.000 0.196 127 D C 2.303 178.595 176.300 -0.013 0.000 0.992 127 D CA 1.399 55.460 54.000 0.102 0.000 0.833 127 D CB 0.189 41.069 40.800 0.133 0.000 0.954 127 D HN 0.028 nan 8.370 nan 0.000 0.455 128 R N -0.386 120.074 120.500 -0.068 0.000 2.066 128 R HA -0.136 4.320 4.340 0.193 0.000 0.232 128 R C 2.247 178.449 176.300 -0.163 0.000 1.131 128 R CA 1.173 57.176 56.100 -0.161 0.000 0.955 128 R CB -1.794 28.428 30.300 -0.131 0.000 0.851 128 R HN 0.443 nan 8.270 nan 0.000 0.432 129 Y N 2.510 122.666 120.300 -0.239 0.000 2.132 129 Y HA -0.336 4.337 4.550 0.205 0.000 0.280 129 Y C 2.364 178.183 175.900 -0.136 0.000 1.193 129 Y CA 2.614 60.599 58.100 -0.193 0.000 1.157 129 Y CB -0.492 37.861 38.460 -0.178 0.000 0.966 129 Y HN 0.307 nan 8.280 nan 0.000 0.511 130 T N -2.144 112.343 114.554 -0.111 0.000 2.896 130 T HA -0.020 4.446 4.350 0.193 0.000 0.263 130 T C 2.062 176.637 174.700 -0.208 0.000 1.050 130 T CA 0.990 63.011 62.100 -0.132 0.000 1.140 130 T CB -0.973 67.969 68.868 0.123 0.000 0.877 130 T HN 0.361 nan 8.240 nan 0.000 0.457 131 A N 0.561 123.085 122.820 -0.494 0.000 2.070 131 A HA 0.179 4.615 4.320 0.193 0.000 0.220 131 A C 2.442 179.810 177.584 -0.361 0.000 1.159 131 A CA 1.276 52.832 52.037 -0.800 0.000 0.656 131 A CB -0.733 17.435 19.000 -1.387 0.000 0.800 131 A HN 0.450 nan 8.150 nan 0.000 0.453 132 V N -1.327 118.413 119.914 -0.290 0.000 2.492 132 V HA -0.090 4.146 4.120 0.193 0.000 0.241 132 V C 2.469 178.439 176.094 -0.207 0.000 1.041 132 V CA 1.430 63.605 62.300 -0.207 0.000 1.057 132 V CB -0.092 31.625 31.823 -0.176 0.000 0.711 132 V HN 0.315 nan 8.190 nan 0.000 0.468 133 V N -0.722 119.000 119.914 -0.320 0.000 2.358 133 V HA -0.065 4.171 4.120 0.193 0.000 0.246 133 V C 1.328 177.309 176.094 -0.187 0.000 1.047 133 V CA 1.573 63.683 62.300 -0.316 0.000 1.035 133 V CB -0.329 31.153 31.823 -0.568 0.000 0.658 133 V HN 0.424 nan 8.190 nan 0.000 0.452 134 M N 0.264 119.779 119.600 -0.142 0.000 2.854 134 M HA 0.251 4.847 4.480 0.193 0.000 0.203 134 M C -2.028 174.314 176.300 0.070 0.000 1.069 134 M CA -1.283 54.002 55.300 -0.024 0.000 0.803 134 M CB 1.745 34.342 32.600 -0.004 0.000 1.380 134 M HN 0.133 nan 8.290 nan 0.000 0.494 135 P HA -0.024 nan 4.420 nan 0.000 0.220 135 P C 1.362 178.730 177.300 0.113 0.000 1.152 135 P CA 0.845 63.978 63.100 0.056 0.000 0.812 135 P CB 0.270 31.974 31.700 0.007 0.000 0.792 136 V N -0.443 119.529 119.914 0.097 0.000 2.548 136 V HA -0.199 4.037 4.120 0.193 0.000 0.249 136 V C 2.587 178.748 176.094 0.112 0.000 1.055 136 V CA 2.005 64.352 62.300 0.078 0.000 1.065 136 V CB -1.579 30.284 31.823 0.067 0.000 0.681 136 V HN 0.201 nan 8.190 nan 0.000 0.462 137 H N -1.113 117.987 119.070 0.049 0.000 2.448 137 H HA -0.146 4.526 4.556 0.193 0.000 0.292 137 H C 2.110 177.497 175.328 0.099 0.000 1.035 137 H CA 1.511 57.586 56.048 0.044 0.000 1.349 137 H CB -0.203 29.564 29.762 0.007 0.000 1.425 137 H HN 0.437 nan 8.280 nan 0.000 0.539 138 Y N 1.341 121.637 120.300 -0.006 0.000 2.128 138 Y HA -0.258 4.407 4.550 0.192 0.000 0.284 138 Y C 2.405 178.259 175.900 -0.076 0.000 1.154 138 Y CA 2.173 60.243 58.100 -0.050 0.000 1.149 138 Y CB -0.161 38.301 38.460 0.003 0.000 0.976 138 Y HN 0.329 nan 8.280 nan 0.000 0.505 139 Q N -1.327 118.509 119.800 0.060 0.000 2.124 139 Q HA -0.264 4.192 4.340 0.193 0.000 0.202 139 Q C 2.204 178.135 176.000 -0.116 0.000 0.977 139 Q CA 1.538 57.325 55.803 -0.027 0.000 0.850 139 Q CB -0.381 28.376 28.738 0.032 0.000 0.901 139 Q HN 0.604 nan 8.270 nan 0.000 0.429 140 H N -0.582 118.371 119.070 -0.196 0.000 2.363 140 H HA -0.016 4.655 4.556 0.193 0.000 0.301 140 H C 1.684 176.851 175.328 -0.268 0.000 1.074 140 H CA 1.595 57.518 56.048 -0.207 0.000 1.354 140 H CB 0.132 29.783 29.762 -0.184 0.000 1.397 140 H HN 0.295 nan 8.280 nan 0.000 0.516 141 G N -0.402 108.256 108.800 -0.237 0.000 2.920 141 G HA2 -0.105 3.971 3.960 0.193 0.000 0.208 141 G HA3 -0.105 3.971 3.960 0.193 0.000 0.208 141 G C 1.474 176.195 174.900 -0.299 0.000 1.159 141 G CA 0.791 45.727 45.100 -0.272 0.000 0.784 141 G HN 0.565 nan 8.290 nan 0.000 0.535 142 T N -3.372 110.962 114.554 -0.367 0.000 3.015 142 T HA 0.232 4.698 4.350 0.193 0.000 0.250 142 T C 1.583 176.157 174.700 -0.208 0.000 1.057 142 T CA 0.560 62.465 62.100 -0.325 0.000 1.066 142 T CB 0.684 69.271 68.868 -0.468 0.000 0.959 142 T HN 0.109 nan 8.240 nan 0.000 0.488 143 G N 0.840 109.503 108.800 -0.228 0.000 3.515 143 G HA2 0.602 4.679 3.960 0.193 0.000 0.288 143 G HA3 0.602 4.679 3.960 0.193 0.000 0.288 143 G C -0.221 174.542 174.900 -0.228 0.000 1.012 143 G CA 0.365 45.342 45.100 -0.205 0.000 1.689 143 G HN 0.930 nan 8.290 nan 0.000 0.572 144 Q N -1.057 118.646 119.800 -0.162 0.000 2.816 144 Q HA 0.740 5.196 4.340 0.193 0.000 0.335 144 Q C 0.238 176.185 176.000 -0.089 0.000 0.752 144 Q CA -0.061 55.664 55.803 -0.131 0.000 0.915 144 Q CB -0.240 28.414 28.738 -0.140 0.000 1.316 144 Q HN 1.442 nan 8.270 nan 0.000 0.495 145 S N 0.461 116.119 115.700 -0.070 0.000 3.829 145 S HA 0.461 5.047 4.470 0.193 0.000 0.250 145 S C 0.663 175.228 174.600 -0.058 0.000 1.263 145 S CA 0.706 58.872 58.200 -0.057 0.000 0.955 145 S CB -0.729 62.445 63.200 -0.044 0.000 1.611 145 S HN 1.584 nan 8.310 nan 0.000 0.483 146 S N 0.934 116.594 115.700 -0.067 0.000 2.588 146 S HA 0.172 4.758 4.470 0.193 0.000 0.245 146 S C 1.004 175.566 174.600 -0.065 0.000 1.021 146 S CA -0.118 58.043 58.200 -0.066 0.000 1.006 146 S CB -0.564 62.583 63.200 -0.088 0.000 0.830 146 S HN 0.777 nan 8.310 nan 0.000 0.468 147 C N 0.769 120.022 119.300 -0.079 0.000 2.525 147 C HA 0.367 4.943 4.460 0.193 0.000 0.291 147 C C 2.482 177.424 174.990 -0.080 0.000 1.351 147 C CA 0.055 59.005 59.018 -0.115 0.000 1.771 147 C CB -0.831 26.819 27.740 -0.151 0.000 2.177 147 C HN 0.606 nan 8.230 nan 0.000 0.510 148 R N 0.372 120.839 120.500 -0.056 0.000 2.341 148 R HA -0.073 4.383 4.340 0.193 0.000 0.213 148 R C 2.106 178.393 176.300 -0.022 0.000 1.082 148 R CA 0.695 56.773 56.100 -0.036 0.000 1.017 148 R CB -0.202 30.081 30.300 -0.029 0.000 0.860 148 R HN 0.539 nan 8.270 nan 0.000 0.473 149 R N -0.208 120.279 120.500 -0.021 0.000 2.062 149 R HA -0.004 4.453 4.340 0.193 0.000 0.218 149 R C 2.103 178.406 176.300 0.005 0.000 1.161 149 R CA 0.571 56.670 56.100 -0.002 0.000 0.994 149 R CB -0.186 30.116 30.300 0.003 0.000 0.888 149 R HN -0.078 nan 8.270 nan 0.000 0.442 150 V N 1.791 121.702 119.914 -0.005 0.000 2.278 150 V HA -0.340 3.896 4.120 0.193 0.000 0.251 150 V C 2.422 178.521 176.094 0.009 0.000 1.062 150 V CA 2.145 64.450 62.300 0.008 0.000 1.038 150 V CB -0.952 30.854 31.823 -0.029 0.000 0.646 150 V HN 0.596 nan 8.190 nan 0.000 0.447 151 A N -0.405 122.403 122.820 -0.021 0.000 1.869 151 A HA -0.288 4.148 4.320 0.193 0.000 0.218 151 A C 2.181 179.780 177.584 0.026 0.000 1.203 151 A CA 2.549 54.583 52.037 -0.005 0.000 0.638 151 A CB -0.760 18.225 19.000 -0.025 0.000 0.831 151 A HN 0.454 nan 8.150 nan 0.000 0.450 152 L N -0.911 120.322 121.223 0.017 0.000 2.141 152 L HA -0.089 4.367 4.340 0.193 0.000 0.209 152 L C 2.580 179.470 176.870 0.033 0.000 1.094 152 L CA 1.823 56.677 54.840 0.022 0.000 0.763 152 L CB -0.406 41.660 42.059 0.012 0.000 0.908 152 L HN 0.464 nan 8.230 nan 0.000 0.437 153 M N -1.668 117.956 119.600 0.039 0.000 2.123 153 M HA -0.162 4.434 4.480 0.193 0.000 0.263 153 M C 2.167 178.503 176.300 0.059 0.000 1.069 153 M CA 1.730 57.057 55.300 0.045 0.000 1.133 153 M CB -0.349 32.284 32.600 0.055 0.000 1.356 153 M HN 0.148 nan 8.290 nan 0.000 0.415 154 I N -0.274 120.354 120.570 0.096 0.000 2.142 154 I HA -0.271 4.015 4.170 0.193 0.000 0.240 154 I C 2.446 178.708 176.117 0.242 0.000 1.078 154 I CA 1.364 62.766 61.300 0.171 0.000 1.343 154 I CB -0.848 37.289 38.000 0.229 0.000 1.046 154 I HN 0.284 nan 8.210 nan 0.000 0.405 155 T N 0.886 115.550 114.554 0.183 0.000 2.597 155 T HA -0.317 4.149 4.350 0.193 0.000 0.267 155 T C 2.049 176.831 174.700 0.136 0.000 1.053 155 T CA 2.013 64.212 62.100 0.165 0.000 1.165 155 T CB -0.518 68.399 68.868 0.081 0.000 0.863 155 T HN 0.522 nan 8.240 nan 0.000 0.427 156 A N 0.819 123.675 122.820 0.060 0.000 1.869 156 A HA -0.149 4.287 4.320 0.193 0.000 0.218 156 A C 2.611 180.173 177.584 -0.037 0.000 1.203 156 A CA 2.184 54.219 52.037 -0.003 0.000 0.638 156 A CB -1.290 17.689 19.000 -0.035 0.000 0.831 156 A HN 0.367 nan 8.150 nan 0.000 0.450 157 V N -2.288 117.594 119.914 -0.053 0.000 2.324 157 V HA -0.326 3.911 4.120 0.193 0.000 0.250 157 V C 2.292 178.293 176.094 -0.156 0.000 1.060 157 V CA 2.135 64.342 62.300 -0.155 0.000 1.042 157 V CB -1.032 30.675 31.823 -0.194 0.000 0.650 157 V HN 0.783 nan 8.190 nan 0.000 0.450 158 W N -0.621 120.691 121.300 0.021 0.000 2.409 158 W HA -0.072 4.711 4.660 0.205 0.000 0.299 158 W C 2.368 178.926 176.519 0.065 0.000 1.203 158 W CA 1.101 58.476 57.345 0.050 0.000 1.298 158 W CB -0.540 28.948 29.460 0.046 0.000 1.127 158 W HN 0.012 nan 8.180 nan 0.000 0.528 159 V N 0.421 120.488 119.914 0.256 0.000 2.358 159 V HA -0.291 3.945 4.120 0.193 0.000 0.246 159 V C 2.026 178.204 176.094 0.141 0.000 1.047 159 V CA 1.487 63.905 62.300 0.196 0.000 1.035 159 V CB -1.186 30.704 31.823 0.112 0.000 0.658 159 V HN 0.125 nan 8.190 nan 0.000 0.452 160 L N 1.027 122.245 121.223 -0.007 0.000 2.083 160 L HA -0.094 4.363 4.340 0.193 0.000 0.209 160 L C 2.472 179.291 176.870 -0.086 0.000 1.083 160 L CA 2.210 56.960 54.840 -0.150 0.000 0.752 160 L CB -0.883 40.907 42.059 -0.448 0.000 0.899 160 L HN 0.223 nan 8.230 nan 0.000 0.433 161 A N -0.868 121.952 122.820 0.001 0.000 1.883 161 A HA -0.277 4.159 4.320 0.193 0.000 0.217 161 A C 2.252 179.950 177.584 0.190 0.000 1.186 161 A CA 2.041 54.133 52.037 0.092 0.000 0.624 161 A CB -1.162 17.925 19.000 0.145 0.000 0.822 161 A HN 0.541 nan 8.150 nan 0.000 0.444 162 F N 0.800 120.834 119.950 0.140 0.000 2.060 162 F HA 0.048 4.691 4.527 0.194 0.000 0.295 162 F C 2.579 178.463 175.800 0.141 0.000 1.120 162 F CA 1.230 59.322 58.000 0.153 0.000 1.205 162 F CB -0.693 38.400 39.000 0.154 0.000 0.986 162 F HN 0.246 nan 8.300 nan 0.000 0.470 163 A N 0.128 123.008 122.820 0.099 0.000 1.927 163 A HA -0.212 4.224 4.320 0.193 0.000 0.220 163 A C 2.299 179.881 177.584 -0.004 0.000 1.185 163 A CA 2.277 54.322 52.037 0.012 0.000 0.639 163 A CB -1.556 17.504 19.000 0.100 0.000 0.820 163 A HN 0.331 nan 8.150 nan 0.000 0.451 164 V N -0.330 119.597 119.914 0.021 0.000 2.490 164 V HA -0.194 4.042 4.120 0.193 0.000 0.250 164 V C 2.574 178.760 176.094 0.153 0.000 1.061 164 V CA 2.320 64.656 62.300 0.060 0.000 1.064 164 V CB -0.457 31.328 31.823 -0.062 0.000 0.670 164 V HN 0.582 nan 8.190 nan 0.000 0.461 165 S N -0.799 114.927 115.700 0.043 0.000 2.486 165 S HA -0.117 4.469 4.470 0.193 0.000 0.220 165 S C 1.975 176.539 174.600 -0.058 0.000 1.011 165 S CA 0.929 59.172 58.200 0.072 0.000 0.921 165 S CB -0.249 62.953 63.200 0.003 0.000 0.785 165 S HN 0.866 nan 8.310 nan 0.000 0.517 166 C N 2.536 121.671 119.300 -0.275 0.000 2.432 166 C HA 0.128 4.704 4.460 0.193 0.000 0.282 166 C C -0.637 174.371 174.990 0.030 0.000 1.388 166 C CA 0.146 58.981 59.018 -0.306 0.000 1.777 166 C CB -1.808 25.631 27.740 -0.502 0.000 1.882 166 C HN 0.305 nan 8.230 nan 0.000 0.520 167 P HA -0.093 nan 4.420 nan 0.000 0.216 167 P C 1.833 179.212 177.300 0.132 0.000 1.150 167 P CA 1.427 64.632 63.100 0.175 0.000 0.837 167 P CB -0.270 31.442 31.700 0.020 0.000 0.786 168 L N -1.922 119.214 121.223 -0.145 0.000 2.127 168 L HA -0.184 4.272 4.340 0.193 0.000 0.211 168 L C 2.291 179.059 176.870 -0.169 0.000 1.089 168 L CA 0.997 55.697 54.840 -0.234 0.000 0.757 168 L CB -1.058 40.803 42.059 -0.331 0.000 0.899 168 L HN -0.009 nan 8.230 nan 0.000 0.434 169 L N -0.911 120.153 121.223 -0.266 0.000 2.141 169 L HA -0.103 4.353 4.340 0.193 0.000 0.209 169 L C 1.121 177.637 176.870 -0.591 0.000 1.094 169 L CA 1.643 56.183 54.840 -0.500 0.000 0.763 169 L CB -0.267 41.321 42.059 -0.784 0.000 0.908 169 L HN 0.075 nan 8.230 nan 0.000 0.437 170 F N -0.797 119.201 119.950 0.079 0.000 2.983 170 F HA 0.517 5.158 4.527 0.190 0.000 0.307 170 F C 1.460 177.297 175.800 0.062 0.000 1.218 170 F CA 0.139 58.193 58.000 0.090 0.000 1.323 170 F CB -0.025 39.050 39.000 0.125 0.000 0.989 170 F HN 0.053 nan 8.300 nan 0.000 0.509 171 G N -0.725 108.114 108.800 0.065 0.000 2.253 171 G HA2 -0.303 3.774 3.960 0.193 0.000 0.209 171 G HA3 -0.303 3.774 3.960 0.193 0.000 0.209 171 G C 0.791 175.569 174.900 -0.204 0.000 0.997 171 G CA -0.321 44.721 45.100 -0.097 0.000 0.640 171 G HN 0.320 nan 8.290 nan 0.000 0.496 172 F N 1.542 121.445 119.950 -0.078 0.000 2.802 172 F HA 0.284 4.934 4.527 0.204 0.000 0.300 172 F C 1.470 177.148 175.800 -0.204 0.000 1.168 172 F CA 0.579 58.505 58.000 -0.122 0.000 1.433 172 F CB 0.213 39.134 39.000 -0.132 0.000 1.115 172 F HN 0.166 nan 8.300 nan 0.000 0.582 173 N N 1.276 119.926 118.700 -0.083 0.000 2.968 173 N HA 0.007 4.863 4.740 0.193 0.000 0.271 173 N C -0.396 175.069 175.510 -0.076 0.000 1.174 173 N CA -0.018 52.965 53.050 -0.111 0.000 1.096 173 N CB -0.169 38.236 38.487 -0.136 0.000 1.403 173 N HN 0.051 nan 8.380 nan 0.000 0.522 174 T N -0.446 114.078 114.554 -0.050 0.000 2.795 174 T HA 0.643 5.109 4.350 0.193 0.000 0.282 174 T C 0.372 175.059 174.700 -0.023 0.000 0.980 174 T CA -0.711 61.363 62.100 -0.043 0.000 1.012 174 T CB 1.347 70.189 68.868 -0.044 0.000 0.936 174 T HN 0.332 nan 8.240 nan 0.000 0.457 175 T N -1.012 113.528 114.554 -0.023 0.000 2.887 175 T HA 0.667 5.133 4.350 0.193 0.000 0.292 175 T C 1.089 175.782 174.700 -0.011 0.000 1.087 175 T CA -0.486 61.606 62.100 -0.014 0.000 1.009 175 T CB 1.480 70.340 68.868 -0.013 0.000 1.203 175 T HN 0.710 nan 8.240 nan 0.000 0.518 176 G N -0.402 108.393 108.800 -0.009 0.000 2.985 176 G HA2 0.283 4.359 3.960 0.193 0.000 0.209 176 G HA3 0.283 4.359 3.960 0.193 0.000 0.209 176 G C -0.010 174.889 174.900 -0.000 0.000 1.165 176 G CA 0.004 45.100 45.100 -0.007 0.000 0.776 176 G HN 0.917 nan 8.290 nan 0.000 0.541 177 D N -1.018 119.386 120.400 0.007 0.000 2.878 177 D HA 0.122 4.878 4.640 0.193 0.000 0.211 177 D C -2.220 174.101 176.300 0.036 0.000 1.271 177 D CA -1.023 52.989 54.000 0.019 0.000 0.845 177 D CB 2.620 43.432 40.800 0.020 0.000 1.679 177 D HN -0.119 nan 8.370 nan 0.000 0.536 178 P HA -0.076 nan 4.420 nan 0.000 0.223 178 P C 1.240 178.631 177.300 0.151 0.000 1.151 178 P CA 1.001 64.151 63.100 0.083 0.000 0.787 178 P CB -0.009 31.737 31.700 0.077 0.000 0.788 179 T N -3.472 111.161 114.554 0.131 0.000 3.088 179 T HA 0.068 4.534 4.350 0.193 0.000 0.259 179 T C 0.833 175.647 174.700 0.191 0.000 1.122 179 T CA 0.069 62.278 62.100 0.182 0.000 1.095 179 T CB -0.703 68.231 68.868 0.110 0.000 0.930 179 T HN -0.168 nan 8.240 nan 0.000 0.508 180 V N 1.864 121.844 119.914 0.110 0.000 2.348 180 V HA 0.362 4.598 4.120 0.193 0.000 0.270 180 V C 0.187 176.289 176.094 0.013 0.000 1.037 180 V CA -1.181 61.161 62.300 0.071 0.000 0.872 180 V CB 0.401 32.246 31.823 0.036 0.000 1.002 180 V HN 0.621 nan 8.190 nan 0.000 0.464 181 c N 7.129 125.708 118.600 -0.035 0.000 2.225 181 c HA 0.820 5.506 4.570 0.193 0.000 0.323 181 c C 0.327 174.392 174.090 -0.041 0.000 1.164 181 c CA -0.105 56.088 56.329 -0.226 0.000 1.565 181 c CB -1.239 40.788 42.510 -0.804 0.000 2.124 181 c HN 1.022 nan 8.230 nan 0.000 0.461 182 S N 4.934 120.639 115.700 0.008 0.000 2.587 182 S HA 0.531 5.117 4.470 0.193 0.000 0.269 182 S C -1.046 173.611 174.600 0.095 0.000 1.154 182 S CA -0.753 57.514 58.200 0.113 0.000 0.824 182 S CB 0.481 63.768 63.200 0.145 0.000 1.118 182 S HN 0.604 nan 8.310 nan 0.000 0.462 183 I N 3.166 123.837 120.570 0.169 0.000 2.389 183 I HA 0.163 4.449 4.170 0.193 0.000 0.295 183 I C 0.977 177.241 176.117 0.246 0.000 1.117 183 I CA -0.118 61.288 61.300 0.177 0.000 1.317 183 I CB 0.713 38.836 38.000 0.205 0.000 1.431 183 I HN 0.860 nan 8.210 nan 0.000 0.521 184 S N 3.123 118.903 115.700 0.132 0.000 2.559 184 S HA 0.061 4.647 4.470 0.193 0.000 0.226 184 S C 0.647 175.302 174.600 0.091 0.000 1.000 184 S CA -0.548 57.702 58.200 0.084 0.000 0.948 184 S CB -0.113 63.100 63.200 0.021 0.000 0.870 184 S HN 0.687 nan 8.310 nan 0.000 0.497 185 N N 2.951 121.738 118.700 0.144 0.000 2.420 185 N HA 0.155 5.011 4.740 0.193 0.000 0.262 185 N C -2.037 173.604 175.510 0.218 0.000 1.144 185 N CA -1.373 51.779 53.050 0.170 0.000 0.952 185 N CB 1.349 39.968 38.487 0.220 0.000 1.081 185 N HN -0.014 nan 8.380 nan 0.000 0.480 186 P HA -0.088 nan 4.420 nan 0.000 0.217 186 P C 0.409 177.879 177.300 0.283 0.000 1.150 186 P CA 1.027 64.200 63.100 0.121 0.000 0.832 186 P CB 0.400 32.082 31.700 -0.030 0.000 0.787 187 D N -1.398 119.152 120.400 0.250 0.000 2.085 187 D HA -0.101 4.655 4.640 0.193 0.000 0.199 187 D C 1.793 178.267 176.300 0.290 0.000 0.981 187 D CA 0.864 55.010 54.000 0.243 0.000 0.834 187 D CB -1.062 39.854 40.800 0.193 0.000 0.992 187 D HN 0.054 nan 8.370 nan 0.000 0.457 188 F N 1.822 121.885 119.950 0.187 0.000 2.115 188 F HA -0.266 4.390 4.527 0.215 0.000 0.300 188 F C 2.301 178.276 175.800 0.292 0.000 1.092 188 F CA 1.143 59.286 58.000 0.238 0.000 1.245 188 F CB -0.272 38.851 39.000 0.204 0.000 0.995 188 F HN -0.224 nan 8.300 nan 0.000 0.481 189 V N 0.635 120.798 119.914 0.415 0.000 2.332 189 V HA -0.342 3.895 4.120 0.193 0.000 0.248 189 V C 2.325 178.542 176.094 0.206 0.000 1.055 189 V CA 2.280 64.769 62.300 0.315 0.000 1.038 189 V CB -0.576 31.479 31.823 0.386 0.000 0.651 189 V HN 0.369 nan 8.190 nan 0.000 0.450 190 I N -1.058 119.642 120.570 0.216 0.000 2.142 190 I HA -0.285 4.001 4.170 0.193 0.000 0.240 190 I C 2.413 178.611 176.117 0.135 0.000 1.078 190 I CA 2.230 63.618 61.300 0.146 0.000 1.343 190 I CB -0.631 37.443 38.000 0.122 0.000 1.046 190 I HN 0.434 nan 8.210 nan 0.000 0.405 191 Y N 1.178 121.453 120.300 -0.042 0.000 2.053 191 Y HA -0.364 4.306 4.550 0.200 0.000 0.277 191 Y C 2.875 178.687 175.900 -0.146 0.000 1.159 191 Y CA 2.034 60.061 58.100 -0.123 0.000 1.125 191 Y CB -0.854 37.466 38.460 -0.232 0.000 0.969 191 Y HN 0.103 nan 8.280 nan 0.000 0.492 192 S N -0.227 115.160 115.700 -0.521 0.000 2.359 192 S HA -0.242 4.344 4.470 0.193 0.000 0.224 192 S C 2.346 176.877 174.600 -0.115 0.000 1.035 192 S CA 2.239 60.110 58.200 -0.549 0.000 1.018 192 S CB -1.162 61.783 63.200 -0.425 0.000 0.876 192 S HN 0.810 nan 8.310 nan 0.000 0.448 193 S N 0.923 116.687 115.700 0.106 0.000 2.372 193 S HA -0.126 4.460 4.470 0.193 0.000 0.227 193 S C 1.837 176.568 174.600 0.217 0.000 1.044 193 S CA 1.694 60.077 58.200 0.306 0.000 1.050 193 S CB -1.197 62.257 63.200 0.423 0.000 0.901 193 S HN 0.367 nan 8.310 nan 0.000 0.447 194 V N 1.495 121.531 119.914 0.204 0.000 2.223 194 V HA -0.127 4.109 4.120 0.193 0.000 0.244 194 V C 2.731 178.863 176.094 0.064 0.000 1.045 194 V CA 1.904 64.318 62.300 0.190 0.000 1.000 194 V CB -0.788 31.112 31.823 0.129 0.000 0.635 194 V HN 0.492 nan 8.190 nan 0.000 0.445 195 V N -0.416 119.469 119.914 -0.048 0.000 2.515 195 V HA -0.187 4.049 4.120 0.193 0.000 0.250 195 V C 2.500 178.641 176.094 0.078 0.000 1.058 195 V CA 2.116 64.413 62.300 -0.004 0.000 1.064 195 V CB -0.284 31.419 31.823 -0.200 0.000 0.675 195 V HN 0.517 nan 8.190 nan 0.000 0.461 196 S N -0.868 114.807 115.700 -0.041 0.000 2.335 196 S HA -0.043 4.543 4.470 0.193 0.000 0.217 196 S C 1.661 176.141 174.600 -0.199 0.000 1.032 196 S CA 1.637 59.817 58.200 -0.034 0.000 0.985 196 S CB -0.220 62.992 63.200 0.021 0.000 0.896 196 S HN 0.532 nan 8.310 nan 0.000 0.445 197 F N 0.100 119.696 119.950 -0.590 0.000 2.387 197 F HA 0.273 4.916 4.527 0.194 0.000 0.278 197 F C 1.650 177.164 175.800 -0.476 0.000 1.010 197 F CA 0.202 57.732 58.000 -0.785 0.000 1.236 197 F CB -0.518 37.555 39.000 -1.545 0.000 1.137 197 F HN 0.079 nan 8.300 nan 0.000 0.604 198 Y N 0.134 120.405 120.300 -0.048 0.000 2.483 198 Y HA -0.144 4.508 4.550 0.170 0.000 0.291 198 Y C 2.005 177.855 175.900 -0.083 0.000 1.143 198 Y CA 1.018 59.119 58.100 0.003 0.000 1.289 198 Y CB -0.812 37.711 38.460 0.105 0.000 0.983 198 Y HN 0.167 nan 8.280 nan 0.000 0.556 199 L N 1.336 122.547 121.223 -0.021 0.000 2.062 199 L HA 0.088 4.544 4.340 0.193 0.000 0.202 199 L C -0.661 176.023 176.870 -0.310 0.000 1.079 199 L CA 1.250 56.042 54.840 -0.080 0.000 0.755 199 L CB -1.656 40.436 42.059 0.055 0.000 0.913 199 L HN -0.105 nan 8.230 nan 0.000 0.445 200 P HA -0.215 nan 4.420 nan 0.000 0.220 200 P C 1.828 178.749 177.300 -0.632 0.000 1.148 200 P CA 1.442 63.901 63.100 -1.068 0.000 0.803 200 P CB -0.381 30.093 31.700 -2.043 0.000 0.782 201 F N 1.927 121.453 119.950 -0.706 0.000 2.113 201 F HA 0.027 4.661 4.527 0.179 0.000 0.297 201 F C 2.284 177.863 175.800 -0.369 0.000 1.103 201 F CA 1.939 59.576 58.000 -0.604 0.000 1.248 201 F CB -1.310 37.164 39.000 -0.876 0.000 0.999 201 F HN -0.110 nan 8.300 nan 0.000 0.475 202 G N 0.324 108.787 108.800 -0.562 0.000 2.422 202 G HA2 -0.191 3.885 3.960 0.193 0.000 0.218 202 G HA3 -0.191 3.885 3.960 0.193 0.000 0.218 202 G C 1.770 176.445 174.900 -0.375 0.000 1.146 202 G CA 1.190 45.977 45.100 -0.521 0.000 0.769 202 G HN 0.374 nan 8.290 nan 0.000 0.547 203 V N 1.551 121.278 119.914 -0.312 0.000 2.223 203 V HA -0.215 4.021 4.120 0.193 0.000 0.244 203 V C 3.414 179.357 176.094 -0.251 0.000 1.045 203 V CA 2.676 64.829 62.300 -0.245 0.000 1.000 203 V CB -1.068 30.631 31.823 -0.207 0.000 0.635 203 V HN 0.656 nan 8.190 nan 0.000 0.445 204 T N -1.940 112.459 114.554 -0.259 0.000 2.759 204 T HA -0.197 4.269 4.350 0.193 0.000 0.269 204 T C 1.822 176.468 174.700 -0.091 0.000 1.042 204 T CA 1.920 63.928 62.100 -0.154 0.000 1.140 204 T CB -0.633 68.172 68.868 -0.106 0.000 0.864 204 T HN 0.183 nan 8.240 nan 0.000 0.455 205 V N 1.191 120.960 119.914 -0.242 0.000 2.427 205 V HA 0.006 4.242 4.120 0.193 0.000 0.248 205 V C 2.711 178.716 176.094 -0.148 0.000 1.051 205 V CA 1.568 63.731 62.300 -0.229 0.000 1.048 205 V CB -0.510 31.012 31.823 -0.502 0.000 0.666 205 V HN 0.518 nan 8.190 nan 0.000 0.456 206 L N -1.311 119.797 121.223 -0.192 0.000 2.240 206 L HA -0.047 4.410 4.340 0.193 0.000 0.211 206 L C 2.368 179.153 176.870 -0.141 0.000 1.106 206 L CA 0.455 55.207 54.840 -0.148 0.000 0.793 206 L CB -0.460 41.502 42.059 -0.163 0.000 0.927 206 L HN 0.165 nan 8.230 nan 0.000 0.446 207 V N -0.720 119.080 119.914 -0.190 0.000 2.261 207 V HA -0.327 3.909 4.120 0.193 0.000 0.246 207 V C 2.236 178.241 176.094 -0.150 0.000 1.047 207 V CA 1.964 64.105 62.300 -0.265 0.000 1.015 207 V CB -0.567 31.056 31.823 -0.333 0.000 0.642 207 V HN 0.302 nan 8.190 nan 0.000 0.446 208 Y N 0.417 120.673 120.300 -0.074 0.000 2.352 208 Y HA -0.105 4.558 4.550 0.189 0.000 0.292 208 Y C 2.385 178.292 175.900 0.011 0.000 1.136 208 Y CA 0.841 58.928 58.100 -0.021 0.000 1.227 208 Y CB -0.817 37.614 38.460 -0.049 0.000 0.991 208 Y HN 0.200 nan 8.280 nan 0.000 0.545 209 A N 0.130 123.022 122.820 0.119 0.000 1.873 209 A HA -0.292 4.144 4.320 0.193 0.000 0.218 209 A C 2.245 179.913 177.584 0.139 0.000 1.193 209 A CA 2.250 54.346 52.037 0.098 0.000 0.629 209 A CB -0.590 18.422 19.000 0.021 0.000 0.826 209 A HN 0.331 nan 8.150 nan 0.000 0.447 210 R N 0.070 120.622 120.500 0.087 0.000 2.115 210 R HA 0.066 4.522 4.340 0.193 0.000 0.230 210 R C 1.770 178.151 176.300 0.135 0.000 1.111 210 R CA 1.349 57.515 56.100 0.110 0.000 0.976 210 R CB -0.724 29.652 30.300 0.127 0.000 0.870 210 R HN 0.611 nan 8.270 nan 0.000 0.445 211 I N -0.404 120.249 120.570 0.139 0.000 2.226 211 I HA -0.311 3.975 4.170 0.193 0.000 0.245 211 I C 1.855 178.062 176.117 0.149 0.000 1.100 211 I CA 1.439 62.807 61.300 0.113 0.000 1.374 211 I CB -0.436 37.602 38.000 0.065 0.000 1.057 211 I HN 0.201 nan 8.210 nan 0.000 0.413 212 Y N 1.580 121.927 120.300 0.077 0.000 2.114 212 Y HA -0.233 4.432 4.550 0.193 0.000 0.284 212 Y C 2.496 178.412 175.900 0.026 0.000 1.143 212 Y CA 1.591 59.723 58.100 0.052 0.000 1.135 212 Y CB -0.603 37.887 38.460 0.050 0.000 0.980 212 Y HN -0.145 nan 8.280 nan 0.000 0.499 213 V N -0.739 119.187 119.914 0.019 0.000 2.324 213 V HA -0.356 3.880 4.120 0.193 0.000 0.250 213 V C 2.324 178.346 176.094 -0.121 0.000 1.060 213 V CA 1.876 64.127 62.300 -0.083 0.000 1.042 213 V CB -0.996 30.834 31.823 0.011 0.000 0.650 213 V HN 0.371 nan 8.190 nan 0.000 0.450 214 V N -0.733 119.139 119.914 -0.070 0.000 2.283 214 V HA -0.169 4.067 4.120 0.193 0.000 0.243 214 V C 2.233 178.267 176.094 -0.100 0.000 1.039 214 V CA 1.736 63.989 62.300 -0.078 0.000 1.016 214 V CB -0.467 31.317 31.823 -0.065 0.000 0.650 214 V HN 0.405 nan 8.190 nan 0.000 0.449 215 L N -0.020 121.145 121.223 -0.096 0.000 2.201 215 L HA -0.151 4.305 4.340 0.193 0.000 0.212 215 L C 2.474 179.256 176.870 -0.148 0.000 1.105 215 L CA 1.648 56.434 54.840 -0.091 0.000 0.775 215 L CB -0.483 41.553 42.059 -0.038 0.000 0.913 215 L HN 0.284 nan 8.230 nan 0.000 0.440 216 K N 0.128 120.362 120.400 -0.277 0.000 2.155 216 K HA -0.107 4.329 4.320 0.193 0.000 0.203 216 K C 0.804 177.289 176.600 -0.192 0.000 1.052 216 K CA 0.848 56.939 56.287 -0.326 0.000 0.948 216 K CB 0.169 32.285 32.500 -0.640 0.000 0.728 216 K HN 0.289 nan 8.250 nan 0.000 0.448 217 Q N 1.496 121.200 119.800 -0.159 0.000 3.006 217 Q HA 0.116 4.572 4.340 0.193 0.000 0.260 217 Q C -0.971 174.976 176.000 -0.087 0.000 1.356 217 Q CA -0.151 55.587 55.803 -0.108 0.000 1.070 217 Q CB 0.749 29.430 28.738 -0.095 0.000 1.507 217 Q HN 0.061 nan 8.270 nan 0.000 0.568 218 R N 2.428 122.882 120.500 -0.077 0.000 3.710 218 R HA 0.055 4.512 4.340 0.193 0.000 0.201 218 R C -0.228 176.038 176.300 -0.057 0.000 1.641 218 R CA -0.148 55.917 56.100 -0.059 0.000 1.390 218 R CB -0.069 30.205 30.300 -0.044 0.000 1.341 218 R HN 0.366 nan 8.270 nan 0.000 0.728 219 R N 1.219 121.678 120.500 -0.069 0.000 2.347 219 R HA 0.189 4.645 4.340 0.193 0.000 0.304 219 R C -0.047 176.193 176.300 -0.101 0.000 1.072 219 R CA -0.679 55.374 56.100 -0.078 0.000 0.980 219 R CB 1.091 31.341 30.300 -0.084 0.000 0.986 219 R HN 0.230 nan 8.270 nan 0.000 0.448 220 R N 2.133 122.570 120.500 -0.104 0.000 2.905 220 R HA 0.032 4.488 4.340 0.193 0.000 0.273 220 R C -0.275 175.839 176.300 -0.309 0.000 1.033 220 R CA 0.342 56.348 56.100 -0.157 0.000 1.182 220 R CB 0.639 30.880 30.300 -0.100 0.000 1.097 220 R HN 0.659 nan 8.270 nan 0.000 0.504 320 V N 2.257 122.182 119.914 0.019 0.000 2.408 320 V HA 0.370 4.606 4.120 0.193 0.000 0.267 320 V C -1.697 174.400 176.094 0.003 0.000 1.047 320 V CA -0.962 61.337 62.300 -0.003 0.000 0.937 320 V CB 0.774 32.582 31.823 -0.026 0.000 0.999 320 V HN 0.550 nan 8.190 nan 0.000 0.472 321 P HA 0.066 nan 4.420 nan 0.000 0.269 321 P C 0.763 178.067 177.300 0.006 0.000 1.217 321 P CA -0.410 62.694 63.100 0.008 0.000 0.783 321 P CB 0.684 32.390 31.700 0.011 0.000 0.898 322 L N 2.729 123.958 121.223 0.010 0.000 1.989 322 L HA -0.165 4.291 4.340 0.193 0.000 0.211 322 L C 2.471 179.348 176.870 0.011 0.000 1.071 322 L CA 1.863 56.710 54.840 0.012 0.000 0.749 322 L CB -0.851 41.216 42.059 0.014 0.000 0.890 322 L HN 0.329 nan 8.230 nan 0.000 0.431 323 R N -0.751 119.755 120.500 0.009 0.000 2.119 323 R HA -0.210 4.246 4.340 0.193 0.000 0.246 323 R C 2.010 178.316 176.300 0.010 0.000 1.146 323 R CA 1.976 58.081 56.100 0.008 0.000 0.962 323 R CB -0.119 30.183 30.300 0.003 0.000 0.863 323 R HN 0.516 nan 8.270 nan 0.000 0.442 324 E N 0.085 120.286 120.200 0.002 0.000 2.122 324 E HA -0.099 4.367 4.350 0.193 0.000 0.190 324 E C 1.868 178.459 176.600 -0.015 0.000 0.977 324 E CA 0.677 57.067 56.400 -0.018 0.000 0.820 324 E CB -0.041 29.626 29.700 -0.055 0.000 0.770 324 E HN 0.370 nan 8.360 nan 0.000 0.462 325 K N 1.042 121.439 120.400 -0.006 0.000 2.020 325 K HA -0.144 4.293 4.320 0.193 0.000 0.212 325 K C 2.043 178.654 176.600 0.019 0.000 1.050 325 K CA 1.186 57.477 56.287 0.007 0.000 0.929 325 K CB 0.015 32.521 32.500 0.011 0.000 0.714 325 K HN -0.102 nan 8.250 nan 0.000 0.443 326 K N 0.230 120.645 120.400 0.024 0.000 2.209 326 K HA -0.082 4.354 4.320 0.193 0.000 0.204 326 K C 2.016 178.645 176.600 0.049 0.000 1.048 326 K CA 1.209 57.518 56.287 0.037 0.000 0.940 326 K CB -0.249 32.280 32.500 0.049 0.000 0.729 326 K HN 0.189 nan 8.250 nan 0.000 0.451 327 A N 0.753 123.601 122.820 0.047 0.000 1.872 327 A HA -0.092 4.344 4.320 0.193 0.000 0.214 327 A C 2.327 179.956 177.584 0.075 0.000 1.187 327 A CA 1.893 53.971 52.037 0.069 0.000 0.614 327 A CB -0.932 18.099 19.000 0.052 0.000 0.826 327 A HN 0.266 nan 8.150 nan 0.000 0.442 328 T N -0.221 114.368 114.554 0.058 0.000 2.759 328 T HA -0.209 4.257 4.350 0.193 0.000 0.269 328 T C 2.051 176.824 174.700 0.120 0.000 1.042 328 T CA 1.736 63.899 62.100 0.106 0.000 1.140 328 T CB -0.234 68.679 68.868 0.074 0.000 0.864 328 T HN 0.644 nan 8.240 nan 0.000 0.455 329 Q N 0.239 120.062 119.800 0.039 0.000 2.046 329 Q HA -0.070 4.387 4.340 0.193 0.000 0.200 329 Q C 2.356 178.280 176.000 -0.126 0.000 0.975 329 Q CA 1.270 57.046 55.803 -0.046 0.000 0.836 329 Q CB -0.213 28.483 28.738 -0.070 0.000 0.896 329 Q HN 0.526 nan 8.270 nan 0.000 0.428 330 M N 0.283 119.838 119.600 -0.074 0.000 2.065 330 M HA -0.171 4.425 4.480 0.193 0.000 0.259 330 M C 1.989 178.284 176.300 -0.008 0.000 1.069 330 M CA 2.107 57.367 55.300 -0.067 0.000 1.110 330 M CB -0.112 32.566 32.600 0.129 0.000 1.328 330 M HN 0.289 nan 8.290 nan 0.000 0.405 331 V N -1.586 118.379 119.914 0.085 0.000 3.305 331 V HA 0.039 4.276 4.120 0.193 0.000 0.269 331 V C 2.131 178.244 176.094 0.032 0.000 1.157 331 V CA 1.208 63.581 62.300 0.121 0.000 1.157 331 V CB -1.991 29.949 31.823 0.194 0.000 0.772 331 V HN 0.505 nan 8.190 nan 0.000 0.498 332 A N 0.900 123.657 122.820 -0.105 0.000 1.929 332 A HA 0.050 4.486 4.320 0.193 0.000 0.216 332 A C 2.079 179.502 177.584 -0.268 0.000 1.176 332 A CA 1.777 53.563 52.037 -0.418 0.000 0.628 332 A CB -0.396 18.332 19.000 -0.455 0.000 0.816 332 A HN 0.463 nan 8.150 nan 0.000 0.444 333 I N -0.339 120.115 120.570 -0.193 0.000 2.584 333 I HA -0.077 4.209 4.170 0.193 0.000 0.255 333 I C 2.385 178.462 176.117 -0.067 0.000 1.145 333 I CA 0.755 61.965 61.300 -0.150 0.000 1.462 333 I CB -1.226 36.639 38.000 -0.225 0.000 1.102 333 I HN 0.099 nan 8.210 nan 0.000 0.433 334 V N 0.992 120.882 119.914 -0.039 0.000 2.407 334 V HA -0.234 4.002 4.120 0.193 0.000 0.248 334 V C 2.521 178.641 176.094 0.043 0.000 1.055 334 V CA 1.304 63.604 62.300 -0.000 0.000 1.049 334 V CB -0.572 31.270 31.823 0.031 0.000 0.662 334 V HN 0.306 nan 8.190 nan 0.000 0.455 335 L N 1.337 122.561 121.223 0.003 0.000 2.027 335 L HA 0.026 4.482 4.340 0.193 0.000 0.206 335 L C 2.372 179.269 176.870 0.045 0.000 1.074 335 L CA 2.425 57.267 54.840 0.004 0.000 0.745 335 L CB -1.438 40.580 42.059 -0.069 0.000 0.898 335 L HN 0.257 nan 8.230 nan 0.000 0.433 336 G N -0.806 107.981 108.800 -0.023 0.000 2.476 336 G HA2 -0.327 3.749 3.960 0.193 0.000 0.218 336 G HA3 -0.327 3.749 3.960 0.193 0.000 0.218 336 G C 1.641 176.565 174.900 0.039 0.000 1.164 336 G CA 1.159 46.255 45.100 -0.008 0.000 0.768 336 G HN 0.670 nan 8.290 nan 0.000 0.560 337 A N 0.335 123.178 122.820 0.037 0.000 1.892 337 A HA -0.068 4.368 4.320 0.193 0.000 0.218 337 A C 2.203 179.830 177.584 0.073 0.000 1.188 337 A CA 1.833 53.889 52.037 0.032 0.000 0.631 337 A CB -0.664 18.346 19.000 0.017 0.000 0.822 337 A HN 0.407 nan 8.150 nan 0.000 0.447 338 F N 0.277 120.239 119.950 0.021 0.000 2.026 338 F HA -0.188 4.457 4.527 0.197 0.000 0.296 338 F C 2.103 177.987 175.800 0.139 0.000 1.133 338 F CA 2.181 60.253 58.000 0.119 0.000 1.188 338 F CB -0.286 38.776 39.000 0.103 0.000 0.968 338 F HN 0.172 nan 8.300 nan 0.000 0.476 339 I N -0.551 120.222 120.570 0.338 0.000 2.335 339 I HA -0.300 3.986 4.170 0.193 0.000 0.251 339 I C 2.098 178.270 176.117 0.092 0.000 1.129 339 I CA 0.902 62.320 61.300 0.198 0.000 1.402 339 I CB -0.500 37.508 38.000 0.014 0.000 1.069 339 I HN 0.040 nan 8.210 nan 0.000 0.424 340 V N -0.394 119.542 119.914 0.037 0.000 2.427 340 V HA -0.278 3.958 4.120 0.193 0.000 0.248 340 V C 2.446 178.489 176.094 -0.086 0.000 1.051 340 V CA 1.626 63.918 62.300 -0.013 0.000 1.048 340 V CB -0.469 31.342 31.823 -0.019 0.000 0.666 340 V HN 0.561 nan 8.190 nan 0.000 0.456 341 C N -1.513 117.680 119.300 -0.178 0.000 2.466 341 C HA -0.112 4.464 4.460 0.193 0.000 0.278 341 C C 2.357 177.030 174.990 -0.528 0.000 1.288 341 C CA 0.417 59.185 59.018 -0.416 0.000 1.722 341 C CB -0.985 26.389 27.740 -0.610 0.000 2.017 341 C HN 0.769 nan 8.230 nan 0.000 0.488 342 W N -0.604 120.503 121.300 -0.322 0.000 2.907 342 W HA 0.228 5.013 4.660 0.207 0.000 0.271 342 W C 2.109 178.508 176.519 -0.200 0.000 1.253 342 W CA -0.334 56.827 57.345 -0.307 0.000 1.501 342 W CB -0.330 28.824 29.460 -0.511 0.000 1.047 342 W HN 0.085 nan 8.180 nan 0.000 0.610 343 L N 2.083 123.354 121.223 0.080 0.000 2.046 343 L HA -0.028 4.428 4.340 0.193 0.000 0.208 343 L C -0.794 176.121 176.870 0.076 0.000 1.077 343 L CA 2.152 57.025 54.840 0.055 0.000 0.747 343 L CB -1.817 40.321 42.059 0.132 0.000 0.896 343 L HN -0.249 nan 8.230 nan 0.000 0.432 344 P HA -0.243 nan 4.420 nan 0.000 0.215 344 P C 1.735 179.083 177.300 0.080 0.000 1.157 344 P CA 1.700 64.833 63.100 0.055 0.000 0.874 344 P CB -0.286 31.422 31.700 0.013 0.000 0.790 345 F N -0.789 119.124 119.950 -0.062 0.000 2.075 345 F HA -0.176 4.464 4.527 0.187 0.000 0.297 345 F C 2.044 177.813 175.800 -0.052 0.000 1.113 345 F CA 1.536 59.485 58.000 -0.085 0.000 1.218 345 F CB -1.015 37.893 39.000 -0.153 0.000 0.984 345 F HN -0.231 nan 8.300 nan 0.000 0.472 346 F N 0.246 120.143 119.950 -0.088 0.000 2.333 346 F HA -0.171 4.479 4.527 0.205 0.000 0.300 346 F C 2.081 177.835 175.800 -0.077 0.000 1.083 346 F CA 1.036 58.910 58.000 -0.211 0.000 1.395 346 F CB -0.453 38.217 39.000 -0.552 0.000 1.056 346 F HN 0.015 nan 8.300 nan 0.000 0.529 347 L N -0.887 120.405 121.223 0.115 0.000 2.162 347 L HA -0.126 4.330 4.340 0.193 0.000 0.205 347 L C 2.491 179.380 176.870 0.031 0.000 1.086 347 L CA 1.535 56.442 54.840 0.111 0.000 0.778 347 L CB -0.935 41.194 42.059 0.118 0.000 0.928 347 L HN 0.175 nan 8.230 nan 0.000 0.446 348 T N -3.758 110.778 114.554 -0.030 0.000 2.770 348 T HA -0.241 4.225 4.350 0.193 0.000 0.263 348 T C 1.789 176.444 174.700 -0.075 0.000 1.039 348 T CA 1.295 63.378 62.100 -0.027 0.000 1.142 348 T CB -0.550 68.329 68.868 0.018 0.000 0.868 348 T HN 0.310 nan 8.240 nan 0.000 0.435 349 H N 0.659 119.516 119.070 -0.356 0.000 2.423 349 H HA 0.080 4.753 4.556 0.195 0.000 0.297 349 H C 2.071 177.314 175.328 -0.141 0.000 1.075 349 H CA 1.182 57.022 56.048 -0.346 0.000 1.342 349 H CB -0.317 28.939 29.762 -0.844 0.000 1.395 349 H HN 0.136 nan 8.280 nan 0.000 0.530 350 V N 0.256 120.190 119.914 0.034 0.000 2.307 350 V HA -0.224 4.012 4.120 0.193 0.000 0.245 350 V C 2.264 178.419 176.094 0.101 0.000 1.045 350 V CA 1.780 64.144 62.300 0.107 0.000 1.024 350 V CB -0.354 31.528 31.823 0.099 0.000 0.651 350 V HN 0.421 nan 8.190 nan 0.000 0.449 351 L N 0.234 121.484 121.223 0.045 0.000 2.395 351 L HA -0.017 4.439 4.340 0.193 0.000 0.218 351 L C 2.229 179.108 176.870 0.014 0.000 1.130 351 L CA 0.802 55.671 54.840 0.048 0.000 0.826 351 L CB -0.528 41.556 42.059 0.041 0.000 0.941 351 L HN 0.372 nan 8.230 nan 0.000 0.451 352 N N -0.056 118.611 118.700 -0.055 0.000 2.250 352 N HA -0.145 4.711 4.740 0.193 0.000 0.181 352 N C 1.847 177.283 175.510 -0.123 0.000 1.017 352 N CA 1.869 54.846 53.050 -0.122 0.000 0.866 352 N CB 0.085 38.421 38.487 -0.251 0.000 0.985 352 N HN 0.310 nan 8.380 nan 0.000 0.429 353 T N -3.194 111.297 114.554 -0.105 0.000 3.051 353 T HA 0.074 4.540 4.350 0.193 0.000 0.255 353 T C 0.386 174.997 174.700 -0.148 0.000 1.085 353 T CA 0.474 62.506 62.100 -0.114 0.000 1.109 353 T CB -0.315 68.499 68.868 -0.090 0.000 0.921 353 T HN 0.172 nan 8.240 nan 0.000 0.488 354 H N 0.597 119.655 119.070 -0.020 0.000 2.691 354 H HA 0.527 5.201 4.556 0.196 0.000 0.281 354 H C -0.759 174.566 175.328 -0.005 0.000 1.121 354 H CA -0.900 55.149 56.048 0.002 0.000 1.254 354 H CB 0.619 30.394 29.762 0.023 0.000 1.390 354 H HN 0.292 nan 8.280 nan 0.000 0.491 355 C N 4.830 124.159 119.300 0.048 0.000 2.417 355 C HA 0.522 5.098 4.460 0.193 0.000 0.324 355 C C -0.866 174.139 174.990 0.025 0.000 1.240 355 C CA -0.174 58.859 59.018 0.027 0.000 1.632 355 C CB 1.156 28.892 27.740 -0.007 0.000 2.241 355 C HN 0.853 nan 8.230 nan 0.000 0.499 356 Q N 4.115 123.932 119.800 0.028 0.000 2.638 356 Q HA 0.340 4.796 4.340 0.193 0.000 0.227 356 Q C -0.158 175.857 176.000 0.026 0.000 0.842 356 Q CA 0.999 56.817 55.803 0.024 0.000 1.095 356 Q CB 0.629 29.383 28.738 0.026 0.000 1.595 356 Q HN 2.101 nan 8.270 nan 0.000 0.511 357 T N 0.602 115.170 114.554 0.023 0.000 4.221 357 T HA -0.194 4.272 4.350 0.193 0.000 0.343 357 T C 0.355 175.090 174.700 0.058 0.000 0.755 357 T CA 0.749 62.867 62.100 0.030 0.000 1.949 357 T CB -2.493 66.388 68.868 0.020 0.000 1.874 357 T HN 0.672 nan 8.240 nan 0.000 0.890 358 C N 2.741 122.073 119.300 0.053 0.000 2.758 358 C HA 0.222 4.798 4.460 0.193 0.000 0.384 358 C C 1.233 176.290 174.990 0.111 0.000 1.197 358 C CA -0.140 58.912 59.018 0.056 0.000 1.337 358 C CB -1.774 25.982 27.740 0.027 0.000 1.996 358 C HN 0.665 nan 8.230 nan 0.000 0.579 359 H N 2.685 121.758 119.070 0.006 0.000 2.508 359 H HA 0.369 5.040 4.556 0.193 0.000 0.224 359 H C -0.316 175.022 175.328 0.016 0.000 1.723 359 H CA -0.024 56.031 56.048 0.011 0.000 1.251 359 H CB 0.409 30.180 29.762 0.014 0.000 1.627 359 H HN 0.464 nan 8.280 nan 0.000 0.543 360 V N 3.760 123.665 119.914 -0.014 0.000 2.467 360 V HA 0.153 4.389 4.120 0.193 0.000 0.260 360 V C -0.401 175.671 176.094 -0.037 0.000 0.963 360 V CA -0.483 61.803 62.300 -0.023 0.000 0.856 360 V CB 0.821 32.639 31.823 -0.009 0.000 1.087 360 V HN 0.620 nan 8.190 nan 0.000 0.467 361 S N 4.974 120.641 115.700 -0.055 0.000 2.545 361 S HA 0.480 5.066 4.470 0.193 0.000 0.275 361 S C -1.621 172.998 174.600 0.031 0.000 1.299 361 S CA -1.017 57.166 58.200 -0.029 0.000 1.048 361 S CB 1.263 64.432 63.200 -0.052 0.000 0.938 361 S HN 0.520 nan 8.310 nan 0.000 0.496 362 P HA -0.132 nan 4.420 nan 0.000 0.220 362 P C 1.168 178.566 177.300 0.164 0.000 1.144 362 P CA 1.037 64.202 63.100 0.108 0.000 0.800 362 P CB 0.066 31.807 31.700 0.067 0.000 0.772 363 E N -0.445 119.821 120.200 0.110 0.000 2.051 363 E HA -0.165 4.301 4.350 0.193 0.000 0.192 363 E C 2.006 178.688 176.600 0.136 0.000 0.991 363 E CA 0.851 57.325 56.400 0.122 0.000 0.799 363 E CB -1.321 28.418 29.700 0.065 0.000 0.748 363 E HN 0.251 nan 8.360 nan 0.000 0.449 364 L N 0.291 121.575 121.223 0.101 0.000 1.994 364 L HA -0.213 4.243 4.340 0.193 0.000 0.208 364 L C 2.542 179.496 176.870 0.141 0.000 1.071 364 L CA 1.595 56.493 54.840 0.096 0.000 0.745 364 L CB -0.689 41.404 42.059 0.058 0.000 0.892 364 L HN 0.078 nan 8.230 nan 0.000 0.431 365 Y N -0.141 120.190 120.300 0.051 0.000 2.151 365 Y HA -0.325 4.340 4.550 0.192 0.000 0.284 365 Y C 2.642 178.611 175.900 0.115 0.000 1.166 365 Y CA 2.002 60.149 58.100 0.079 0.000 1.163 365 Y CB -0.526 37.971 38.460 0.063 0.000 0.974 365 Y HN 0.272 nan 8.280 nan 0.000 0.511 366 S N 0.163 115.933 115.700 0.116 0.000 2.383 366 S HA -0.231 4.355 4.470 0.193 0.000 0.229 366 S C 2.249 176.760 174.600 -0.150 0.000 1.030 366 S CA 0.994 59.170 58.200 -0.039 0.000 1.002 366 S CB -0.802 62.412 63.200 0.023 0.000 0.829 366 S HN 0.653 nan 8.310 nan 0.000 0.467 367 A N 1.926 124.741 122.820 -0.009 0.000 1.841 367 A HA -0.133 4.303 4.320 0.193 0.000 0.214 367 A C 2.489 180.112 177.584 0.065 0.000 1.195 367 A CA 2.249 54.330 52.037 0.073 0.000 0.611 367 A CB -1.706 17.362 19.000 0.114 0.000 0.835 367 A HN 0.621 nan 8.150 nan 0.000 0.443 368 T N -1.336 113.221 114.554 0.005 0.000 2.737 368 T HA -0.232 4.234 4.350 0.193 0.000 0.269 368 T C 1.816 176.441 174.700 -0.126 0.000 1.040 368 T CA 2.531 64.617 62.100 -0.024 0.000 1.142 368 T CB -1.485 67.403 68.868 0.034 0.000 0.861 368 T HN 0.642 nan 8.240 nan 0.000 0.456 369 T N -2.184 112.267 114.554 -0.172 0.000 2.770 369 T HA -0.084 4.382 4.350 0.193 0.000 0.263 369 T C 1.569 176.149 174.700 -0.199 0.000 1.039 369 T CA 0.878 62.798 62.100 -0.300 0.000 1.142 369 T CB -1.054 67.697 68.868 -0.195 0.000 0.868 369 T HN 0.616 nan 8.240 nan 0.000 0.435 370 W N 1.804 122.982 121.300 -0.204 0.000 2.317 370 W HA -0.087 4.690 4.660 0.195 0.000 0.318 370 W C 2.007 178.359 176.519 -0.277 0.000 1.227 370 W CA 1.031 58.256 57.345 -0.199 0.000 1.269 370 W CB -0.841 28.406 29.460 -0.355 0.000 1.155 370 W HN 0.203 nan 8.180 nan 0.000 0.484 371 L N 1.398 122.499 121.223 -0.203 0.000 2.043 371 L HA -0.073 4.384 4.340 0.193 0.000 0.212 371 L C 2.480 178.879 176.870 -0.785 0.000 1.075 371 L CA 2.696 57.261 54.840 -0.457 0.000 0.752 371 L CB -1.421 40.515 42.059 -0.205 0.000 0.891 371 L HN 0.148 nan 8.230 nan 0.000 0.432 372 G N -2.059 106.119 108.800 -1.037 0.000 2.422 372 G HA2 -0.300 3.776 3.960 0.193 0.000 0.218 372 G HA3 -0.300 3.776 3.960 0.193 0.000 0.218 372 G C 1.238 175.252 174.900 -1.477 0.000 1.146 372 G CA 0.958 44.887 45.100 -1.952 0.000 0.769 372 G HN 0.476 nan 8.290 nan 0.000 0.547 373 Y N 0.296 120.136 120.300 -0.766 0.000 2.395 373 Y HA 0.068 4.736 4.550 0.196 0.000 0.293 373 Y C 2.886 178.504 175.900 -0.470 0.000 1.123 373 Y CA 0.015 57.858 58.100 -0.428 0.000 1.227 373 Y CB -0.372 37.947 38.460 -0.236 0.000 1.012 373 Y HN 0.029 nan 8.280 nan 0.000 0.552 374 V N 0.574 120.131 119.914 -0.595 0.000 2.392 374 V HA -0.356 3.880 4.120 0.193 0.000 0.249 374 V C 2.187 178.068 176.094 -0.355 0.000 1.059 374 V CA 2.105 64.051 62.300 -0.589 0.000 1.051 374 V CB -0.847 30.459 31.823 -0.862 0.000 0.658 374 V HN 0.461 nan 8.190 nan 0.000 0.455 375 N N 0.329 118.804 118.700 -0.375 0.000 2.091 375 N HA -0.221 4.635 4.740 0.193 0.000 0.193 375 N C 1.937 177.402 175.510 -0.075 0.000 1.021 375 N CA 2.060 54.973 53.050 -0.229 0.000 0.862 375 N CB -0.281 38.039 38.487 -0.279 0.000 1.018 375 N HN 0.392 nan 8.380 nan 0.000 0.429 376 S N -0.620 115.067 115.700 -0.021 0.000 2.359 376 S HA -0.113 4.473 4.470 0.193 0.000 0.224 376 S C 1.871 176.485 174.600 0.022 0.000 1.035 376 S CA 1.279 59.514 58.200 0.059 0.000 1.018 376 S CB -0.613 62.652 63.200 0.109 0.000 0.876 376 S HN 0.636 nan 8.310 nan 0.000 0.448 377 A N 0.629 123.438 122.820 -0.018 0.000 2.168 377 A HA 0.155 4.591 4.320 0.193 0.000 0.215 377 A C 1.941 179.509 177.584 -0.026 0.000 1.152 377 A CA 0.629 52.662 52.037 -0.007 0.000 0.716 377 A CB -0.467 18.522 19.000 -0.018 0.000 0.794 377 A HN 0.469 nan 8.150 nan 0.000 0.465 378 L N -0.549 120.636 121.223 -0.063 0.000 2.072 378 L HA -0.150 4.306 4.340 0.193 0.000 0.205 378 L C 2.208 179.002 176.870 -0.125 0.000 1.079 378 L CA 0.840 55.633 54.840 -0.079 0.000 0.752 378 L CB -0.758 41.246 42.059 -0.090 0.000 0.906 378 L HN 0.377 nan 8.230 nan 0.000 0.436 379 N N 0.608 119.210 118.700 -0.163 0.000 2.021 379 N HA -0.193 4.663 4.740 0.193 0.000 0.198 379 N C -0.723 174.421 175.510 -0.609 0.000 1.041 379 N CA 1.822 54.620 53.050 -0.421 0.000 0.862 379 N CB -1.759 36.551 38.487 -0.295 0.000 1.048 379 N HN 0.269 nan 8.380 nan 0.000 0.427 380 P HA -0.026 nan 4.420 nan 0.000 0.220 380 P C 1.662 178.985 177.300 0.038 0.000 1.148 380 P CA 0.540 63.681 63.100 0.067 0.000 0.803 380 P CB 0.073 31.878 31.700 0.175 0.000 0.782 381 V N -0.646 119.251 119.914 -0.028 0.000 2.667 381 V HA -0.162 4.074 4.120 0.193 0.000 0.252 381 V C 2.198 178.246 176.094 -0.077 0.000 1.065 381 V CA 1.374 63.659 62.300 -0.025 0.000 1.083 381 V CB -0.845 30.967 31.823 -0.019 0.000 0.692 381 V HN 0.079 nan 8.190 nan 0.000 0.468 382 I N -1.303 119.195 120.570 -0.120 0.000 2.333 382 I HA -0.195 4.091 4.170 0.193 0.000 0.246 382 I C 2.295 178.451 176.117 0.065 0.000 1.106 382 I CA 1.581 62.873 61.300 -0.014 0.000 1.411 382 I CB -0.416 37.569 38.000 -0.026 0.000 1.082 382 I HN 0.290 nan 8.210 nan 0.000 0.420 383 Y N 1.287 121.580 120.300 -0.012 0.000 2.274 383 Y HA -0.247 4.418 4.550 0.191 0.000 0.290 383 Y C 3.052 178.849 175.900 -0.171 0.000 1.145 383 Y CA 1.331 59.358 58.100 -0.122 0.000 1.203 383 Y CB -0.505 37.655 38.460 -0.500 0.000 0.984 383 Y HN 0.315 nan 8.280 nan 0.000 0.533 384 T N -4.273 110.226 114.554 -0.092 0.000 2.942 384 T HA -0.097 4.369 4.350 0.193 0.000 0.265 384 T C 1.731 176.345 174.700 -0.144 0.000 1.062 384 T CA 1.337 63.331 62.100 -0.177 0.000 1.139 384 T CB -0.693 68.092 68.868 -0.138 0.000 0.883 384 T HN 0.151 nan 8.240 nan 0.000 0.468 385 T N 1.413 115.834 114.554 -0.222 0.000 2.674 385 T HA 0.045 4.511 4.350 0.193 0.000 0.265 385 T C 1.186 175.553 174.700 -0.556 0.000 1.039 385 T CA 1.548 63.335 62.100 -0.521 0.000 1.150 385 T CB -0.396 67.883 68.868 -0.981 0.000 0.864 385 T HN 0.480 nan 8.240 nan 0.000 0.427 386 F N 0.074 120.045 119.950 0.034 0.000 2.553 386 F HA 0.334 4.978 4.527 0.195 0.000 0.282 386 F C 1.239 177.074 175.800 0.058 0.000 1.089 386 F CA -0.512 57.515 58.000 0.046 0.000 1.411 386 F CB -0.100 38.933 39.000 0.055 0.000 1.125 386 F HN -0.004 nan 8.300 nan 0.000 0.610 387 N N 1.653 120.506 118.700 0.254 0.000 2.430 387 N HA 0.117 4.973 4.740 0.193 0.000 0.265 387 N C 0.780 176.335 175.510 0.076 0.000 1.100 387 N CA 0.104 53.265 53.050 0.184 0.000 0.961 387 N CB 1.142 39.825 38.487 0.327 0.000 1.075 387 N HN 0.054 nan 8.380 nan 0.000 0.478 388 I N 3.241 123.829 120.570 0.030 0.000 2.286 388 I HA -0.148 4.138 4.170 0.193 0.000 0.245 388 I C 2.282 178.377 176.117 -0.037 0.000 1.104 388 I CA 0.955 62.252 61.300 -0.006 0.000 1.397 388 I CB -0.186 37.812 38.000 -0.004 0.000 1.072 388 I HN 0.632 nan 8.210 nan 0.000 0.417 389 E N 0.343 120.496 120.200 -0.078 0.000 2.150 389 E HA -0.179 4.287 4.350 0.193 0.000 0.193 389 E C 2.085 178.593 176.600 -0.154 0.000 0.985 389 E CA 0.943 57.264 56.400 -0.131 0.000 0.814 389 E CB 0.018 29.599 29.700 -0.198 0.000 0.752 389 E HN 0.306 nan 8.360 nan 0.000 0.466 390 F N 0.963 120.810 119.950 -0.172 0.000 2.051 390 F HA -0.099 4.543 4.527 0.193 0.000 0.296 390 F C 2.547 178.041 175.800 -0.511 0.000 1.122 390 F CA 1.320 59.104 58.000 -0.360 0.000 1.201 390 F CB -0.572 38.106 39.000 -0.536 0.000 0.978 390 F HN -0.052 nan 8.300 nan 0.000 0.472 391 R N 0.622 120.996 120.500 -0.209 0.000 2.133 391 R HA -0.218 4.238 4.340 0.193 0.000 0.247 391 R C 2.136 178.431 176.300 -0.008 0.000 1.151 391 R CA 1.722 57.728 56.100 -0.155 0.000 0.971 391 R CB -0.173 30.076 30.300 -0.085 0.000 0.866 391 R HN 0.286 nan 8.270 nan 0.000 0.447 392 K N -0.639 119.763 120.400 0.004 0.000 2.001 392 K HA -0.081 4.355 4.320 0.193 0.000 0.208 392 K C 2.049 178.706 176.600 0.096 0.000 1.048 392 K CA 1.406 57.715 56.287 0.037 0.000 0.932 392 K CB -0.124 32.380 32.500 0.007 0.000 0.715 392 K HN 0.172 nan 8.250 nan 0.000 0.437 393 A N 0.663 123.567 122.820 0.139 0.000 2.015 393 A HA -0.101 4.335 4.320 0.193 0.000 0.219 393 A C 1.830 179.613 177.584 0.332 0.000 1.163 393 A CA 1.057 53.220 52.037 0.211 0.000 0.646 393 A CB -0.488 18.649 19.000 0.227 0.000 0.806 393 A HN 0.131 nan 8.150 nan 0.000 0.448 394 F N -0.089 119.900 119.950 0.065 0.000 2.113 394 F HA -0.034 4.609 4.527 0.192 0.000 0.297 394 F C 2.007 177.819 175.800 0.021 0.000 1.103 394 F CA 0.834 58.855 58.000 0.033 0.000 1.248 394 F CB -0.891 38.131 39.000 0.037 0.000 0.999 394 F HN 0.087 nan 8.300 nan 0.000 0.475 395 L N -0.567 120.798 121.223 0.237 0.000 2.376 395 L HA -0.130 4.326 4.340 0.193 0.000 0.219 395 L C 2.449 179.376 176.870 0.095 0.000 1.133 395 L CA 0.834 55.755 54.840 0.135 0.000 0.816 395 L CB -0.451 41.672 42.059 0.107 0.000 0.933 395 L HN 0.016 nan 8.230 nan 0.000 0.449 396 K N 0.393 120.852 120.400 0.099 0.000 2.116 396 K HA -0.066 4.370 4.320 0.193 0.000 0.203 396 K C 1.938 178.567 176.600 0.049 0.000 1.052 396 K CA 1.014 57.341 56.287 0.067 0.000 0.952 396 K CB 0.211 32.751 32.500 0.066 0.000 0.729 396 K HN 0.237 nan 8.250 nan 0.000 0.446 397 I N 1.103 121.700 120.570 0.044 0.000 2.584 397 I HA -0.183 4.103 4.170 0.193 0.000 0.255 397 I C 2.173 178.295 176.117 0.008 0.000 1.145 397 I CA 0.540 61.844 61.300 0.008 0.000 1.462 397 I CB -0.533 37.444 38.000 -0.039 0.000 1.102 397 I HN 0.120 nan 8.210 nan 0.000 0.433 398 L N 0.316 121.554 121.223 0.025 0.000 2.418 398 L HA 0.044 4.500 4.340 0.193 0.000 0.218 398 L C 2.319 179.220 176.870 0.052 0.000 1.125 398 L CA 1.328 56.195 54.840 0.046 0.000 0.835 398 L CB -0.507 41.596 42.059 0.074 0.000 0.953 398 L HN 0.030 nan 8.230 nan 0.000 0.454 399 S N -1.447 114.281 115.700 0.047 0.000 2.562 399 S HA 0.030 4.616 4.470 0.193 0.000 0.221 399 S C 1.184 175.804 174.600 0.032 0.000 0.975 399 S CA -0.049 58.176 58.200 0.041 0.000 0.918 399 S CB -0.658 62.566 63.200 0.041 0.000 0.772 399 S HN 0.562 nan 8.310 nan 0.000 0.531 1003 I N -0.187 120.167 120.570 -0.360 0.000 2.454 1003 I HA 0.097 4.383 4.170 0.193 0.000 0.254 1003 I C 1.081 176.987 176.117 -0.351 0.000 1.156 1003 I CA 1.200 62.285 61.300 -0.358 0.000 1.433 1003 I CB -0.674 37.017 38.000 -0.516 0.000 1.082 1003 I HN 0.507 nan 8.210 nan 0.000 0.432 1004 F N 0.629 120.560 119.950 -0.031 0.000 2.118 1004 F HA -0.033 4.610 4.527 0.193 0.000 0.293 1004 F C 2.516 178.325 175.800 0.016 0.000 1.102 1004 F CA 1.127 59.217 58.000 0.149 0.000 1.247 1004 F CB -1.060 38.004 39.000 0.108 0.000 1.017 1004 F HN -0.003 nan 8.300 nan 0.000 0.475 1005 E N 0.206 120.424 120.200 0.031 0.000 2.153 1005 E HA -0.220 4.246 4.350 0.193 0.000 0.194 1005 E C 2.215 178.683 176.600 -0.221 0.000 0.988 1005 E CA 0.860 57.190 56.400 -0.117 0.000 0.811 1005 E CB -0.468 29.117 29.700 -0.192 0.000 0.746 1005 E HN 0.449 nan 8.360 nan 0.000 0.466 1006 M N 0.409 119.812 119.600 -0.329 0.000 2.084 1006 M HA -0.202 4.394 4.480 0.193 0.000 0.259 1006 M C 2.252 178.405 176.300 -0.245 0.000 1.072 1006 M CA 1.541 56.574 55.300 -0.446 0.000 1.107 1006 M CB -0.127 32.265 32.600 -0.346 0.000 1.299 1006 M HN 0.076 nan 8.290 nan 0.000 0.413 1007 L N -0.282 120.837 121.223 -0.173 0.000 2.141 1007 L HA -0.206 4.250 4.340 0.193 0.000 0.209 1007 L C 2.615 179.332 176.870 -0.255 0.000 1.094 1007 L CA 0.894 55.612 54.840 -0.203 0.000 0.763 1007 L CB -0.648 41.236 42.059 -0.292 0.000 0.908 1007 L HN 0.355 nan 8.230 nan 0.000 0.437 1008 R N 1.188 121.521 120.500 -0.279 0.000 2.094 1008 R HA -0.212 4.244 4.340 0.193 0.000 0.239 1008 R C 1.985 178.211 176.300 -0.124 0.000 1.137 1008 R CA 1.991 57.945 56.100 -0.243 0.000 0.943 1008 R CB -0.888 29.305 30.300 -0.177 0.000 0.850 1008 R HN 0.277 nan 8.270 nan 0.000 0.433 1009 I N 0.528 121.060 120.570 -0.063 0.000 2.127 1009 I HA -0.299 3.987 4.170 0.193 0.000 0.241 1009 I C 1.785 177.935 176.117 0.055 0.000 1.075 1009 I CA 1.905 63.223 61.300 0.031 0.000 1.334 1009 I CB -0.432 37.667 38.000 0.164 0.000 1.040 1009 I HN 0.255 nan 8.210 nan 0.000 0.405 1010 D N 0.241 120.694 120.400 0.087 0.000 2.117 1010 D HA -0.136 4.620 4.640 0.193 0.000 0.198 1010 D C 2.212 178.548 176.300 0.060 0.000 0.982 1010 D CA 1.148 55.215 54.000 0.111 0.000 0.828 1010 D CB -0.107 40.789 40.800 0.161 0.000 0.967 1010 D HN 0.367 nan 8.370 nan 0.000 0.464 1011 E N 0.155 120.364 120.200 0.015 0.000 2.075 1011 E HA 0.199 4.665 4.350 0.193 0.000 0.190 1011 E C 1.240 177.844 176.600 0.007 0.000 0.969 1011 E CA 0.738 57.162 56.400 0.040 0.000 0.815 1011 E CB 0.197 29.913 29.700 0.026 0.000 0.776 1011 E HN 0.216 nan 8.360 nan 0.000 0.457 1012 G N 1.423 110.190 108.800 -0.056 0.000 2.733 1012 G HA2 -0.226 3.851 3.960 0.193 0.000 0.686 1012 G HA3 -0.226 3.851 3.960 0.193 0.000 0.686 1012 G C -0.858 174.004 174.900 -0.064 0.000 1.373 1012 G CA -0.156 44.901 45.100 -0.073 0.000 0.838 1012 G HN 0.204 nan 8.290 nan 0.000 0.588 1013 L N 1.228 122.406 121.223 -0.075 0.000 2.333 1013 L HA 0.863 5.319 4.340 0.193 0.000 0.280 1013 L C 0.367 177.218 176.870 -0.032 0.000 1.004 1013 L CA -1.060 53.754 54.840 -0.043 0.000 0.820 1013 L CB 0.984 43.005 42.059 -0.063 0.000 1.247 1013 L HN 0.778 nan 8.230 nan 0.000 0.416 1014 R N 4.741 125.263 120.500 0.037 0.000 2.744 1014 R HA 0.423 4.879 4.340 0.193 0.000 0.279 1014 R C 0.036 176.402 176.300 0.109 0.000 0.977 1014 R CA -0.746 55.376 56.100 0.037 0.000 0.906 1014 R CB 2.269 32.548 30.300 -0.035 0.000 1.197 1014 R HN 0.710 nan 8.270 nan 0.000 0.463 1015 L N 0.723 121.991 121.223 0.076 0.000 2.357 1015 L HA 0.222 4.679 4.340 0.193 0.000 0.211 1015 L C 0.470 177.396 176.870 0.094 0.000 1.075 1015 L CA 0.660 55.545 54.840 0.074 0.000 0.830 1015 L CB -0.036 42.046 42.059 0.038 0.000 0.996 1015 L HN 0.368 nan 8.230 nan 0.000 0.467 1016 K N 0.661 121.125 120.400 0.108 0.000 2.107 1016 K HA 0.395 4.831 4.320 0.193 0.000 0.251 1016 K C -0.139 176.576 176.600 0.193 0.000 1.012 1016 K CA -0.543 55.814 56.287 0.117 0.000 0.920 1016 K CB 1.400 33.958 32.500 0.096 0.000 1.033 1016 K HN -0.075 nan 8.250 nan 0.000 0.478 1017 I N 2.514 123.176 120.570 0.152 0.000 2.692 1017 I HA 0.029 4.315 4.170 0.193 0.000 0.284 1017 I C -0.303 175.982 176.117 0.280 0.000 1.159 1017 I CA 0.053 61.450 61.300 0.163 0.000 1.423 1017 I CB -0.005 38.043 38.000 0.079 0.000 1.380 1017 I HN 0.566 nan 8.210 nan 0.000 0.580 1018 Y N 3.291 123.689 120.300 0.163 0.000 2.562 1018 Y HA 0.553 5.220 4.550 0.195 0.000 0.345 1018 Y C -1.088 174.898 175.900 0.142 0.000 1.045 1018 Y CA -1.533 56.653 58.100 0.143 0.000 1.028 1018 Y CB 0.845 39.355 38.460 0.085 0.000 1.297 1018 Y HN 0.306 nan 8.280 nan 0.000 0.463 1019 K N 3.254 123.759 120.400 0.175 0.000 2.249 1019 K HA 0.129 4.565 4.320 0.193 0.000 0.280 1019 K C -0.510 176.162 176.600 0.121 0.000 1.033 1019 K CA -0.511 55.763 56.287 -0.023 0.000 0.946 1019 K CB 0.646 33.077 32.500 -0.115 0.000 1.005 1019 K HN 0.854 nan 8.250 nan 0.000 0.469 1020 D N 0.833 121.248 120.400 0.024 0.000 2.469 1020 D HA -0.050 4.706 4.640 0.193 0.000 0.278 1020 D C 1.164 177.499 176.300 0.058 0.000 1.231 1020 D CA -0.226 53.851 54.000 0.129 0.000 1.075 1020 D CB -0.148 40.706 40.800 0.091 0.000 1.121 1020 D HN 0.540 nan 8.370 nan 0.000 0.571 1021 T N -2.542 112.053 114.554 0.068 0.000 2.833 1021 T HA -0.147 4.320 4.350 0.193 0.000 0.269 1021 T C 1.297 175.970 174.700 -0.045 0.000 1.054 1021 T CA 1.430 63.545 62.100 0.025 0.000 1.135 1021 T CB -0.410 68.490 68.868 0.053 0.000 0.869 1021 T HN 0.419 nan 8.240 nan 0.000 0.466 1022 E N 1.002 121.144 120.200 -0.096 0.000 2.371 1022 E HA 0.372 4.838 4.350 0.193 0.000 0.194 1022 E C 1.607 177.935 176.600 -0.454 0.000 1.012 1022 E CA 0.591 56.835 56.400 -0.260 0.000 0.860 1022 E CB -0.174 29.344 29.700 -0.303 0.000 0.811 1022 E HN 0.671 nan 8.360 nan 0.000 0.502 1023 G N -0.387 108.204 108.800 -0.347 0.000 2.154 1023 G HA2 -0.223 3.853 3.960 0.193 0.000 0.186 1023 G HA3 -0.223 3.853 3.960 0.193 0.000 0.186 1023 G C -0.609 174.063 174.900 -0.380 0.000 1.000 1023 G CA -0.531 44.360 45.100 -0.347 0.000 0.664 1023 G HN 0.101 nan 8.290 nan 0.000 0.513 1024 Y N 0.302 120.490 120.300 -0.187 0.000 2.334 1024 Y HA 0.625 5.291 4.550 0.193 0.000 0.328 1024 Y C 0.907 176.658 175.900 -0.247 0.000 1.130 1024 Y CA -1.853 56.118 58.100 -0.214 0.000 1.163 1024 Y CB 0.499 38.892 38.460 -0.112 0.000 1.207 1024 Y HN 0.194 nan 8.280 nan 0.000 0.471 1025 Y N 1.529 121.878 120.300 0.083 0.000 2.620 1025 Y HA 0.268 4.933 4.550 0.193 0.000 0.330 1025 Y C 0.692 176.500 175.900 -0.153 0.000 1.186 1025 Y CA 0.693 58.764 58.100 -0.048 0.000 1.467 1025 Y CB 0.449 38.897 38.460 -0.020 0.000 1.262 1025 Y HN 0.494 nan 8.280 nan 0.000 0.550 1026 T N 4.744 119.185 114.554 -0.188 0.000 2.868 1026 T HA 0.675 5.141 4.350 0.193 0.000 0.306 1026 T C -1.427 173.001 174.700 -0.454 0.000 1.224 1026 T CA -0.725 61.139 62.100 -0.392 0.000 1.012 1026 T CB 1.987 70.472 68.868 -0.638 0.000 1.221 1026 T HN 0.562 nan 8.240 nan 0.000 0.499 1027 I N 0.099 120.594 120.570 -0.124 0.000 2.882 1027 I HA 0.560 4.847 4.170 0.193 0.000 0.298 1027 I C 0.247 176.503 176.117 0.231 0.000 1.462 1027 I CA 0.360 61.732 61.300 0.120 0.000 1.000 1027 I CB 1.492 39.563 38.000 0.119 0.000 1.340 1027 I HN 0.983 nan 8.210 nan 0.000 0.462 1028 G N 5.377 114.330 108.800 0.255 0.000 2.539 1028 G HA2 -0.252 3.824 3.960 0.193 0.000 0.256 1028 G HA3 -0.252 3.824 3.960 0.193 0.000 0.256 1028 G C -0.327 174.702 174.900 0.215 0.000 1.233 1028 G CA 0.091 45.305 45.100 0.191 0.000 0.936 1028 G HN 0.793 nan 8.290 nan 0.000 0.571 1029 I N 2.639 123.299 120.570 0.150 0.000 2.241 1029 I HA 0.437 4.723 4.170 0.193 0.000 0.294 1029 I C 1.555 177.829 176.117 0.260 0.000 1.145 1029 I CA 1.048 62.379 61.300 0.052 0.000 1.261 1029 I CB 0.152 37.938 38.000 -0.358 0.000 1.475 1029 I HN 1.796 nan 8.210 nan 0.000 0.533 1030 G N 3.587 112.574 108.800 0.312 0.000 2.233 1030 G HA2 -0.362 3.715 3.960 0.193 0.000 0.270 1030 G HA3 -0.362 3.715 3.960 0.193 0.000 0.270 1030 G C 0.283 175.349 174.900 0.276 0.000 1.011 1030 G CA 0.220 45.527 45.100 0.344 0.000 0.762 1030 G HN 0.782 nan 8.290 nan 0.000 0.511 1031 H N -0.390 118.781 119.070 0.168 0.000 3.015 1031 H HA 0.500 5.172 4.556 0.193 0.000 0.268 1031 H C 0.763 176.092 175.328 0.001 0.000 1.113 1031 H CA -0.638 55.460 56.048 0.084 0.000 1.479 1031 H CB 0.325 30.151 29.762 0.108 0.000 1.493 1031 H HN 0.367 nan 8.280 nan 0.000 0.486 1032 L N 6.362 127.338 121.223 -0.412 0.000 2.418 1032 L HA 0.052 4.508 4.340 0.193 0.000 0.274 1032 L C 0.199 176.790 176.870 -0.465 0.000 1.135 1032 L CA -0.042 54.599 54.840 -0.333 0.000 0.870 1032 L CB 0.331 42.242 42.059 -0.246 0.000 1.154 1032 L HN 0.839 nan 8.230 nan 0.000 0.462 1033 L N 3.436 124.551 121.223 -0.180 0.000 2.145 1033 L HA 0.161 4.617 4.340 0.193 0.000 0.201 1033 L C 0.798 177.633 176.870 -0.058 0.000 1.075 1033 L CA 0.799 55.607 54.840 -0.054 0.000 0.773 1033 L CB 0.081 42.173 42.059 0.055 0.000 0.936 1033 L HN 0.748 nan 8.230 nan 0.000 0.451 1034 T N -1.958 112.574 114.554 -0.037 0.000 3.047 1034 T HA 0.169 4.635 4.350 0.193 0.000 0.340 1034 T C -0.201 174.443 174.700 -0.093 0.000 1.421 1034 T CA -0.680 61.388 62.100 -0.053 0.000 1.090 1034 T CB 1.483 70.358 68.868 0.012 0.000 1.292 1034 T HN -0.019 nan 8.240 nan 0.000 0.480 1035 K N 1.524 121.774 120.400 -0.250 0.000 2.487 1035 K HA 0.173 4.609 4.320 0.193 0.000 0.192 1035 K C 0.910 177.488 176.600 -0.036 0.000 1.027 1035 K CA -0.106 55.917 56.287 -0.440 0.000 1.054 1035 K CB 0.230 32.344 32.500 -0.643 0.000 0.824 1035 K HN 0.433 nan 8.250 nan 0.000 0.510 1036 S N 1.544 117.270 115.700 0.044 0.000 2.585 1036 S HA 0.134 4.720 4.470 0.193 0.000 0.273 1036 S C -2.096 172.637 174.600 0.223 0.000 1.339 1036 S CA -1.382 56.882 58.200 0.107 0.000 1.028 1036 S CB 0.712 63.956 63.200 0.072 0.000 0.906 1036 S HN -0.024 nan 8.310 nan 0.000 0.528 1037 P HA 0.179 nan 4.420 nan 0.000 0.253 1037 P C -0.628 176.852 177.300 0.299 0.000 1.459 1037 P CA -0.043 63.208 63.100 0.251 0.000 0.908 1037 P CB 0.014 31.794 31.700 0.133 0.000 1.470 1038 S N 0.734 116.568 115.700 0.223 0.000 2.442 1038 S HA 0.258 4.844 4.470 0.193 0.000 0.297 1038 S C 0.800 175.311 174.600 -0.148 0.000 1.131 1038 S CA -0.636 57.603 58.200 0.064 0.000 1.092 1038 S CB 0.376 63.587 63.200 0.019 0.000 0.998 1038 S HN -0.091 nan 8.310 nan 0.000 0.478 1039 L N 5.576 126.629 121.223 -0.284 0.000 2.395 1039 L HA 0.193 4.649 4.340 0.193 0.000 0.218 1039 L C 1.541 178.238 176.870 -0.287 0.000 1.130 1039 L CA 1.415 55.923 54.840 -0.553 0.000 0.826 1039 L CB -1.164 40.670 42.059 -0.376 0.000 0.941 1039 L HN 0.635 nan 8.230 nan 0.000 0.451 1040 N N 0.560 119.167 118.700 -0.155 0.000 2.062 1040 N HA -0.098 4.759 4.740 0.193 0.000 0.191 1040 N C 1.895 177.350 175.510 -0.092 0.000 1.042 1040 N CA 1.748 54.739 53.050 -0.097 0.000 0.845 1040 N CB -0.570 37.884 38.487 -0.054 0.000 1.024 1040 N HN 0.394 nan 8.380 nan 0.000 0.424 1041 A N 1.142 123.916 122.820 -0.075 0.000 1.948 1041 A HA -0.095 4.341 4.320 0.193 0.000 0.220 1041 A C 2.358 179.906 177.584 -0.060 0.000 1.177 1041 A CA 2.260 54.268 52.037 -0.049 0.000 0.636 1041 A CB -0.987 18.001 19.000 -0.021 0.000 0.815 1041 A HN 0.357 nan 8.150 nan 0.000 0.449 1042 A N -0.160 122.589 122.820 -0.118 0.000 1.851 1042 A HA -0.222 4.214 4.320 0.193 0.000 0.216 1042 A C 2.113 179.648 177.584 -0.082 0.000 1.195 1042 A CA 1.989 53.954 52.037 -0.119 0.000 0.622 1042 A CB -0.541 18.274 19.000 -0.308 0.000 0.831 1042 A HN 0.550 nan 8.150 nan 0.000 0.444 1043 K N -0.529 119.808 120.400 -0.106 0.000 2.147 1043 K HA -0.086 4.350 4.320 0.193 0.000 0.205 1043 K C 2.383 178.962 176.600 -0.036 0.000 1.049 1043 K CA 1.236 57.486 56.287 -0.062 0.000 0.936 1043 K CB -0.177 32.283 32.500 -0.066 0.000 0.722 1043 K HN 0.429 nan 8.250 nan 0.000 0.446 1044 S N 0.763 116.440 115.700 -0.037 0.000 2.371 1044 S HA -0.097 4.489 4.470 0.193 0.000 0.224 1044 S C 1.718 176.312 174.600 -0.010 0.000 1.029 1044 S CA 0.999 59.186 58.200 -0.023 0.000 0.978 1044 S CB 0.027 63.213 63.200 -0.023 0.000 0.833 1044 S HN 0.213 nan 8.310 nan 0.000 0.466 1045 E N 0.666 120.864 120.200 -0.005 0.000 2.208 1045 E HA -0.052 4.415 4.350 0.193 0.000 0.193 1045 E C 1.942 178.562 176.600 0.034 0.000 0.988 1045 E CA 0.424 56.834 56.400 0.017 0.000 0.828 1045 E CB -0.254 29.462 29.700 0.025 0.000 0.763 1045 E HN 0.392 nan 8.360 nan 0.000 0.478 1046 L N 1.689 122.925 121.223 0.022 0.000 2.072 1046 L HA -0.108 4.348 4.340 0.193 0.000 0.205 1046 L C 1.427 178.298 176.870 0.001 0.000 1.079 1046 L CA 1.815 56.669 54.840 0.022 0.000 0.752 1046 L CB -0.469 41.599 42.059 0.016 0.000 0.906 1046 L HN -0.134 nan 8.230 nan 0.000 0.436 1047 D N -0.056 120.342 120.400 -0.004 0.000 2.092 1047 D HA -0.242 4.514 4.640 0.193 0.000 0.193 1047 D C 2.116 178.411 176.300 -0.007 0.000 0.994 1047 D CA 1.496 55.491 54.000 -0.008 0.000 0.828 1047 D CB -0.178 40.616 40.800 -0.009 0.000 0.963 1047 D HN 0.330 nan 8.370 nan 0.000 0.450 1048 K N 0.395 120.793 120.400 -0.003 0.000 2.113 1048 K HA -0.133 4.303 4.320 0.193 0.000 0.208 1048 K C 1.756 178.353 176.600 -0.004 0.000 1.047 1048 K CA 1.413 57.699 56.287 -0.002 0.000 0.928 1048 K CB -0.053 32.450 32.500 0.004 0.000 0.716 1048 K HN 0.078 nan 8.250 nan 0.000 0.446 1049 A N 0.149 122.965 122.820 -0.007 0.000 2.169 1049 A HA 0.035 4.471 4.320 0.193 0.000 0.212 1049 A C 1.653 179.211 177.584 -0.042 0.000 1.153 1049 A CA 0.573 52.593 52.037 -0.028 0.000 0.756 1049 A CB 0.068 19.033 19.000 -0.058 0.000 0.813 1049 A HN 0.244 nan 8.150 nan 0.000 0.471 1050 I N -2.579 117.973 120.570 -0.030 0.000 3.812 1050 I HA 0.228 4.514 4.170 0.193 0.000 0.292 1050 I C 1.432 177.538 176.117 -0.018 0.000 1.206 1050 I CA 1.549 62.833 61.300 -0.027 0.000 1.370 1050 I CB -0.618 37.368 38.000 -0.024 0.000 1.328 1050 I HN 0.465 nan 8.210 nan 0.000 0.453 1051 G N 3.374 112.165 108.800 -0.014 0.000 2.288 1051 G HA2 -0.173 3.903 3.960 0.193 0.000 0.205 1051 G HA3 -0.173 3.903 3.960 0.193 0.000 0.205 1051 G C 0.120 175.014 174.900 -0.010 0.000 1.071 1051 G CA 0.159 45.252 45.100 -0.012 0.000 0.788 1051 G HN 0.612 nan 8.290 nan 0.000 0.491 1052 R N -2.062 118.432 120.500 -0.010 0.000 2.739 1052 R HA 0.448 4.904 4.340 0.193 0.000 0.266 1052 R C -0.980 175.315 176.300 -0.008 0.000 1.044 1052 R CA -1.019 55.076 56.100 -0.008 0.000 0.885 1052 R CB 0.089 30.384 30.300 -0.008 0.000 1.260 1052 R HN 0.153 nan 8.270 nan 0.000 0.477 1053 N N 1.403 120.098 118.700 -0.008 0.000 2.434 1053 N HA -0.001 4.855 4.740 0.193 0.000 0.273 1053 N C 0.724 176.230 175.510 -0.007 0.000 1.210 1053 N CA 0.573 53.618 53.050 -0.008 0.000 0.992 1053 N CB 1.128 39.610 38.487 -0.008 0.000 1.355 1053 N HN 0.687 nan 8.380 nan 0.000 0.495 1054 T N 0.701 115.251 114.554 -0.006 0.000 2.777 1054 T HA -0.135 4.331 4.350 0.193 0.000 0.266 1054 T C 0.988 175.686 174.700 -0.003 0.000 1.040 1054 T CA 0.942 63.040 62.100 -0.003 0.000 1.141 1054 T CB -0.331 68.537 68.868 -0.000 0.000 0.868 1054 T HN 0.573 nan 8.240 nan 0.000 0.444 1055 N N 0.707 119.403 118.700 -0.007 0.000 2.776 1055 N HA -0.150 4.706 4.740 0.193 0.000 0.250 1055 N C 0.915 176.421 175.510 -0.006 0.000 1.112 1055 N CA 1.578 54.622 53.050 -0.009 0.000 0.733 1055 N CB -1.431 37.052 38.487 -0.006 0.000 1.097 1055 N HN 1.128 nan 8.380 nan 0.000 0.558 1056 G N -3.169 105.628 108.800 -0.004 0.000 2.238 1056 G HA2 -0.155 3.921 3.960 0.193 0.000 0.217 1056 G HA3 -0.155 3.921 3.960 0.193 0.000 0.217 1056 G C -0.053 174.863 174.900 0.027 0.000 0.996 1056 G CA 0.476 45.580 45.100 0.007 0.000 0.632 1056 G HN 1.338 nan 8.290 nan 0.000 0.503 1057 V N 0.440 120.367 119.914 0.021 0.000 2.769 1057 V HA 0.918 5.154 4.120 0.193 0.000 0.312 1057 V C 0.406 176.513 176.094 0.022 0.000 1.061 1057 V CA -0.725 61.591 62.300 0.028 0.000 0.931 1057 V CB 1.843 33.679 31.823 0.022 0.000 1.010 1057 V HN 1.089 nan 8.190 nan 0.000 0.433 1058 I N 0.345 120.932 120.570 0.027 0.000 3.322 1058 I HA 0.908 5.195 4.170 0.193 0.000 0.313 1058 I C 0.128 176.254 176.117 0.016 0.000 1.129 1058 I CA -0.507 60.805 61.300 0.019 0.000 0.963 1058 I CB 2.364 40.378 38.000 0.023 0.000 1.273 1058 I HN 0.806 nan 8.210 nan 0.000 0.473 1059 T N -1.450 113.111 114.554 0.010 0.000 2.897 1059 T HA 0.329 4.795 4.350 0.193 0.000 0.278 1059 T C 0.772 175.477 174.700 0.008 0.000 0.981 1059 T CA -0.499 61.604 62.100 0.006 0.000 0.973 1059 T CB 1.894 70.761 68.868 -0.000 0.000 1.092 1059 T HN 0.873 nan 8.240 nan 0.000 0.543 1060 K N 0.002 120.403 120.400 0.002 0.000 2.009 1060 K HA -0.165 4.271 4.320 0.193 0.000 0.210 1060 K C 1.543 178.145 176.600 0.004 0.000 1.049 1060 K CA 1.943 58.230 56.287 0.000 0.000 0.929 1060 K CB -0.346 32.148 32.500 -0.010 0.000 0.714 1060 K HN 0.612 nan 8.250 nan 0.000 0.440 1061 D N 0.573 120.971 120.400 -0.003 0.000 2.144 1061 D HA -0.122 4.634 4.640 0.193 0.000 0.200 1061 D C 1.788 178.088 176.300 0.000 0.000 0.978 1061 D CA 1.013 55.010 54.000 -0.006 0.000 0.833 1061 D CB 0.008 40.799 40.800 -0.015 0.000 0.961 1061 D HN 0.367 nan 8.370 nan 0.000 0.470 1062 E N 0.969 121.170 120.200 0.001 0.000 2.038 1062 E HA -0.165 4.301 4.350 0.193 0.000 0.195 1062 E C 2.179 178.788 176.600 0.016 0.000 1.000 1062 E CA 1.115 57.516 56.400 0.001 0.000 0.803 1062 E CB -0.098 29.601 29.700 -0.002 0.000 0.750 1062 E HN 0.160 nan 8.360 nan 0.000 0.448 1063 A N 1.324 124.161 122.820 0.028 0.000 1.958 1063 A HA -0.314 4.122 4.320 0.193 0.000 0.221 1063 A C 1.934 179.579 177.584 0.102 0.000 1.178 1063 A CA 1.986 54.056 52.037 0.055 0.000 0.642 1063 A CB -0.561 18.468 19.000 0.049 0.000 0.816 1063 A HN 0.233 nan 8.150 nan 0.000 0.453 1064 E N -0.335 119.917 120.200 0.085 0.000 2.047 1064 E HA -0.208 4.258 4.350 0.193 0.000 0.191 1064 E C 2.130 178.806 176.600 0.126 0.000 0.987 1064 E CA 1.484 57.966 56.400 0.136 0.000 0.799 1064 E CB -0.181 29.551 29.700 0.054 0.000 0.752 1064 E HN 0.864 nan 8.360 nan 0.000 0.449 1065 K N 1.098 121.525 120.400 0.044 0.000 2.026 1065 K HA -0.175 4.261 4.320 0.193 0.000 0.208 1065 K C 2.205 178.822 176.600 0.027 0.000 1.048 1065 K CA 1.196 57.488 56.287 0.007 0.000 0.929 1065 K CB -0.360 32.130 32.500 -0.016 0.000 0.713 1065 K HN 0.020 nan 8.250 nan 0.000 0.439 1066 L N 0.910 122.152 121.223 0.032 0.000 2.043 1066 L HA -0.131 4.325 4.340 0.193 0.000 0.212 1066 L C 2.237 179.186 176.870 0.131 0.000 1.075 1066 L CA 1.626 56.468 54.840 0.003 0.000 0.752 1066 L CB -0.718 41.291 42.059 -0.085 0.000 0.891 1066 L HN 0.375 nan 8.230 nan 0.000 0.432 1067 F N 0.325 120.319 119.950 0.074 0.000 2.113 1067 F HA -0.176 4.467 4.527 0.194 0.000 0.297 1067 F C 2.308 178.238 175.800 0.217 0.000 1.103 1067 F CA 1.897 60.009 58.000 0.187 0.000 1.248 1067 F CB -0.794 38.301 39.000 0.160 0.000 0.999 1067 F HN 0.234 nan 8.300 nan 0.000 0.475 1068 N N 0.068 118.690 118.700 -0.130 0.000 2.272 1068 N HA -0.211 4.645 4.740 0.193 0.000 0.185 1068 N C 1.706 177.176 175.510 -0.067 0.000 1.014 1068 N CA 1.323 54.256 53.050 -0.195 0.000 0.870 1068 N CB -0.141 38.244 38.487 -0.170 0.000 0.975 1068 N HN 0.560 nan 8.380 nan 0.000 0.433 1069 Q N 0.714 120.506 119.800 -0.013 0.000 2.016 1069 Q HA -0.115 4.341 4.340 0.193 0.000 0.200 1069 Q C 1.294 177.325 176.000 0.051 0.000 0.978 1069 Q CA 1.096 56.910 55.803 0.018 0.000 0.833 1069 Q CB 0.014 28.764 28.738 0.019 0.000 0.895 1069 Q HN 0.245 nan 8.270 nan 0.000 0.427 1070 D N 0.064 120.534 120.400 0.117 0.000 2.190 1070 D HA -0.141 4.615 4.640 0.193 0.000 0.200 1070 D C 1.905 178.337 176.300 0.219 0.000 0.992 1070 D CA 0.975 55.080 54.000 0.175 0.000 0.854 1070 D CB -0.104 40.891 40.800 0.324 0.000 0.936 1070 D HN 0.075 nan 8.370 nan 0.000 0.462 1071 V N 1.014 121.026 119.914 0.164 0.000 2.358 1071 V HA -0.203 4.033 4.120 0.193 0.000 0.246 1071 V C 1.836 177.962 176.094 0.054 0.000 1.047 1071 V CA 1.610 63.970 62.300 0.100 0.000 1.035 1071 V CB -0.454 31.262 31.823 -0.178 0.000 0.658 1071 V HN 0.012 nan 8.190 nan 0.000 0.452 1072 D N 0.870 121.291 120.400 0.034 0.000 2.092 1072 D HA -0.143 4.613 4.640 0.193 0.000 0.193 1072 D C 2.246 178.550 176.300 0.008 0.000 0.994 1072 D CA 1.779 55.791 54.000 0.020 0.000 0.828 1072 D CB -0.483 40.328 40.800 0.018 0.000 0.963 1072 D HN 0.393 nan 8.370 nan 0.000 0.450 1073 A N 0.708 123.537 122.820 0.015 0.000 1.940 1073 A HA -0.120 4.317 4.320 0.193 0.000 0.219 1073 A C 2.260 179.835 177.584 -0.014 0.000 1.176 1073 A CA 2.388 54.423 52.037 -0.004 0.000 0.631 1073 A CB -0.899 18.100 19.000 -0.002 0.000 0.814 1073 A HN 0.249 nan 8.150 nan 0.000 0.446 1074 A N -0.647 122.183 122.820 0.016 0.000 1.877 1074 A HA 0.001 4.437 4.320 0.193 0.000 0.216 1074 A C 2.257 179.821 177.584 -0.033 0.000 1.186 1074 A CA 1.800 53.851 52.037 0.024 0.000 0.620 1074 A CB -0.990 18.102 19.000 0.153 0.000 0.822 1074 A HN 0.386 nan 8.150 nan 0.000 0.443 1075 V N 0.018 119.902 119.914 -0.050 0.000 2.233 1075 V HA -0.316 3.920 4.120 0.193 0.000 0.247 1075 V C 2.660 178.644 176.094 -0.184 0.000 1.050 1075 V CA 2.439 64.645 62.300 -0.157 0.000 1.010 1075 V CB -0.863 30.900 31.823 -0.101 0.000 0.637 1075 V HN 0.554 nan 8.190 nan 0.000 0.444 1076 R N 0.090 120.529 120.500 -0.101 0.000 2.096 1076 R HA -0.168 4.288 4.340 0.193 0.000 0.240 1076 R C 2.478 178.726 176.300 -0.088 0.000 1.139 1076 R CA 1.682 57.732 56.100 -0.084 0.000 0.952 1076 R CB -1.095 29.177 30.300 -0.047 0.000 0.854 1076 R HN 0.612 nan 8.270 nan 0.000 0.436 1077 G N 1.106 109.862 108.800 -0.074 0.000 2.469 1077 G HA2 -0.267 3.809 3.960 0.193 0.000 0.220 1077 G HA3 -0.267 3.809 3.960 0.193 0.000 0.220 1077 G C 1.427 176.283 174.900 -0.074 0.000 1.136 1077 G CA 1.016 46.079 45.100 -0.062 0.000 0.759 1077 G HN 0.223 nan 8.290 nan 0.000 0.562 1078 I N 0.276 120.777 120.570 -0.115 0.000 2.286 1078 I HA -0.060 4.226 4.170 0.193 0.000 0.245 1078 I C 2.560 178.599 176.117 -0.129 0.000 1.104 1078 I CA 0.587 61.807 61.300 -0.132 0.000 1.397 1078 I CB -0.163 37.697 38.000 -0.232 0.000 1.072 1078 I HN 0.115 nan 8.210 nan 0.000 0.417 1079 L N 0.177 121.301 121.223 -0.164 0.000 2.275 1079 L HA -0.104 4.352 4.340 0.193 0.000 0.215 1079 L C 2.491 179.328 176.870 -0.054 0.000 1.119 1079 L CA 1.000 55.776 54.840 -0.107 0.000 0.790 1079 L CB -0.581 41.412 42.059 -0.110 0.000 0.919 1079 L HN 0.221 nan 8.230 nan 0.000 0.443 1080 R N -0.407 120.062 120.500 -0.053 0.000 2.240 1080 R HA 0.021 4.477 4.340 0.193 0.000 0.203 1080 R C 0.850 177.135 176.300 -0.025 0.000 1.011 1080 R CA -0.057 56.023 56.100 -0.033 0.000 1.007 1080 R CB -0.151 30.130 30.300 -0.032 0.000 0.911 1080 R HN 0.282 nan 8.270 nan 0.000 0.468 1081 N N 0.864 119.547 118.700 -0.028 0.000 2.497 1081 N HA 0.039 4.895 4.740 0.193 0.000 0.271 1081 N C 0.270 175.777 175.510 -0.005 0.000 1.142 1081 N CA 0.122 53.164 53.050 -0.015 0.000 0.965 1081 N CB 1.611 40.091 38.487 -0.013 0.000 1.077 1081 N HN 0.067 nan 8.380 nan 0.000 0.462 1082 A N 4.148 126.968 122.820 0.000 0.000 2.167 1082 A HA 0.008 4.444 4.320 0.193 0.000 0.214 1082 A C 1.796 179.387 177.584 0.011 0.000 1.151 1082 A CA 0.881 52.921 52.037 0.005 0.000 0.735 1082 A CB 0.115 19.117 19.000 0.003 0.000 0.802 1082 A HN 0.697 nan 8.150 nan 0.000 0.467 1083 K N -0.764 119.644 120.400 0.014 0.000 2.262 1083 K HA 0.262 4.698 4.320 0.193 0.000 0.200 1083 K C 1.382 177.999 176.600 0.029 0.000 1.058 1083 K CA 0.455 56.755 56.287 0.020 0.000 0.974 1083 K CB -0.026 32.488 32.500 0.023 0.000 0.910 1083 K HN 0.437 nan 8.250 nan 0.000 0.484 1084 L N 1.007 122.248 121.223 0.029 0.000 2.446 1084 L HA 0.040 4.496 4.340 0.193 0.000 0.219 1084 L C 2.409 179.323 176.870 0.073 0.000 1.116 1084 L CA 0.496 55.364 54.840 0.046 0.000 0.844 1084 L CB -0.133 41.944 42.059 0.029 0.000 0.970 1084 L HN 0.087 nan 8.230 nan 0.000 0.457 1085 K N 1.061 121.491 120.400 0.050 0.000 2.001 1085 K HA -0.122 4.314 4.320 0.193 0.000 0.208 1085 K C -0.549 176.119 176.600 0.114 0.000 1.048 1085 K CA 1.279 57.609 56.287 0.072 0.000 0.932 1085 K CB -0.635 31.885 32.500 0.034 0.000 0.715 1085 K HN 0.147 nan 8.250 nan 0.000 0.437 1086 P HA -0.113 nan 4.420 nan 0.000 0.220 1086 P C 1.282 178.626 177.300 0.073 0.000 1.148 1086 P CA 0.920 64.058 63.100 0.064 0.000 0.803 1086 P CB 0.056 31.778 31.700 0.036 0.000 0.782 1087 V N -1.243 118.722 119.914 0.085 0.000 2.270 1087 V HA -0.254 3.982 4.120 0.193 0.000 0.245 1087 V C 2.360 178.530 176.094 0.127 0.000 1.043 1087 V CA 1.712 64.063 62.300 0.085 0.000 1.014 1087 V CB -1.708 30.158 31.823 0.072 0.000 0.645 1087 V HN 0.023 nan 8.190 nan 0.000 0.447 1088 Y N 1.371 121.695 120.300 0.041 0.000 2.274 1088 Y HA -0.211 4.455 4.550 0.193 0.000 0.290 1088 Y C 2.369 178.297 175.900 0.047 0.000 1.145 1088 Y CA 1.817 59.947 58.100 0.049 0.000 1.203 1088 Y CB -0.214 38.269 38.460 0.038 0.000 0.984 1088 Y HN 0.304 nan 8.280 nan 0.000 0.533 1089 D N -0.611 119.898 120.400 0.181 0.000 2.117 1089 D HA -0.168 4.589 4.640 0.193 0.000 0.197 1089 D C 2.170 178.477 176.300 0.012 0.000 0.987 1089 D CA 1.794 55.850 54.000 0.093 0.000 0.829 1089 D CB -0.495 40.368 40.800 0.106 0.000 0.961 1089 D HN 0.440 nan 8.370 nan 0.000 0.460 1090 S N -0.362 115.356 115.700 0.030 0.000 2.650 1090 S HA 0.097 4.683 4.470 0.193 0.000 0.219 1090 S C 0.821 175.459 174.600 0.063 0.000 0.960 1090 S CA -0.292 57.930 58.200 0.037 0.000 0.925 1090 S CB -0.232 62.990 63.200 0.037 0.000 0.775 1090 S HN 0.058 nan 8.310 nan 0.000 0.525 1091 L N 1.998 123.217 121.223 -0.006 0.000 2.358 1091 L HA 0.526 4.983 4.340 0.193 0.000 0.268 1091 L C -0.091 176.710 176.870 -0.114 0.000 1.032 1091 L CA -1.038 53.793 54.840 -0.015 0.000 0.805 1091 L CB 1.074 43.097 42.059 -0.060 0.000 1.253 1091 L HN 0.386 nan 8.230 nan 0.000 0.452 1092 D N 0.357 120.687 120.400 -0.117 0.000 2.326 1092 D HA 0.244 5.001 4.640 0.193 0.000 0.248 1092 D C 0.662 176.860 176.300 -0.170 0.000 1.001 1092 D CA -0.450 53.471 54.000 -0.131 0.000 0.961 1092 D CB 1.752 42.483 40.800 -0.116 0.000 1.183 1092 D HN 0.542 nan 8.370 nan 0.000 0.502 1093 A N 0.674 123.422 122.820 -0.119 0.000 1.985 1093 A HA -0.210 4.226 4.320 0.193 0.000 0.223 1093 A C 2.010 179.539 177.584 -0.093 0.000 1.189 1093 A CA 2.295 54.287 52.037 -0.075 0.000 0.658 1093 A CB -0.790 18.204 19.000 -0.010 0.000 0.820 1093 A HN 0.438 nan 8.150 nan 0.000 0.464 1094 V N -1.190 118.602 119.914 -0.204 0.000 2.403 1094 V HA -0.095 4.141 4.120 0.193 0.000 0.239 1094 V C 2.417 178.236 176.094 -0.458 0.000 1.041 1094 V CA 1.475 63.514 62.300 -0.436 0.000 1.051 1094 V CB -0.777 30.645 31.823 -0.669 0.000 0.704 1094 V HN 0.483 nan 8.190 nan 0.000 0.472 1095 R N 0.073 120.346 120.500 -0.379 0.000 2.127 1095 R HA -0.148 4.308 4.340 0.193 0.000 0.238 1095 R C 2.493 178.723 176.300 -0.117 0.000 1.134 1095 R CA 1.403 57.344 56.100 -0.265 0.000 0.975 1095 R CB -0.342 29.845 30.300 -0.188 0.000 0.865 1095 R HN 0.467 nan 8.270 nan 0.000 0.447 1096 R N 0.228 120.632 120.500 -0.159 0.000 2.083 1096 R HA -0.130 4.326 4.340 0.193 0.000 0.237 1096 R C 2.352 178.648 176.300 -0.006 0.000 1.137 1096 R CA 1.521 57.535 56.100 -0.143 0.000 0.951 1096 R CB -0.426 29.669 30.300 -0.342 0.000 0.851 1096 R HN 0.214 nan 8.270 nan 0.000 0.434 1097 A N 1.022 123.797 122.820 -0.075 0.000 1.978 1097 A HA -0.162 4.274 4.320 0.193 0.000 0.220 1097 A C 2.298 179.827 177.584 -0.092 0.000 1.170 1097 A CA 1.833 53.847 52.037 -0.038 0.000 0.636 1097 A CB -0.541 18.499 19.000 0.067 0.000 0.810 1097 A HN 0.440 nan 8.150 nan 0.000 0.448 1098 A N -1.041 121.624 122.820 -0.259 0.000 1.970 1098 A HA 0.140 4.576 4.320 0.193 0.000 0.216 1098 A C 2.060 179.564 177.584 -0.133 0.000 1.170 1098 A CA 1.395 53.176 52.037 -0.427 0.000 0.645 1098 A CB -0.434 17.821 19.000 -1.242 0.000 0.816 1098 A HN 0.535 nan 8.150 nan 0.000 0.447 1099 L N 0.159 121.457 121.223 0.125 0.000 2.027 1099 L HA -0.072 4.384 4.340 0.193 0.000 0.206 1099 L C 2.241 179.205 176.870 0.156 0.000 1.074 1099 L CA 1.594 56.590 54.840 0.260 0.000 0.745 1099 L CB -0.372 41.877 42.059 0.317 0.000 0.898 1099 L HN 0.424 nan 8.230 nan 0.000 0.433 1100 I N -0.085 120.578 120.570 0.155 0.000 2.194 1100 I HA -0.377 3.909 4.170 0.193 0.000 0.246 1100 I C 2.372 178.585 176.117 0.160 0.000 1.093 1100 I CA 1.738 63.124 61.300 0.144 0.000 1.355 1100 I CB -0.653 37.412 38.000 0.108 0.000 1.046 1100 I HN 0.502 nan 8.210 nan 0.000 0.413 1101 N N 1.277 120.034 118.700 0.095 0.000 2.104 1101 N HA -0.191 4.665 4.740 0.193 0.000 0.190 1101 N C 1.931 177.533 175.510 0.153 0.000 1.024 1101 N CA 1.677 54.793 53.050 0.110 0.000 0.853 1101 N CB -0.060 38.461 38.487 0.055 0.000 1.008 1101 N HN 0.321 nan 8.380 nan 0.000 0.424 1102 M N -0.194 119.445 119.600 0.065 0.000 2.132 1102 M HA -0.088 4.508 4.480 0.193 0.000 0.263 1102 M C 2.178 178.468 176.300 -0.016 0.000 1.065 1102 M CA 0.918 56.169 55.300 -0.081 0.000 1.122 1102 M CB -0.045 32.373 32.600 -0.305 0.000 1.365 1102 M HN -0.076 nan 8.290 nan 0.000 0.411 1103 V N -0.339 119.605 119.914 0.050 0.000 2.515 1103 V HA -0.235 4.001 4.120 0.193 0.000 0.250 1103 V C 2.033 178.193 176.094 0.110 0.000 1.058 1103 V CA 1.565 63.899 62.300 0.058 0.000 1.064 1103 V CB -0.681 31.174 31.823 0.054 0.000 0.675 1103 V HN 0.312 nan 8.190 nan 0.000 0.461 1104 F N 0.571 120.547 119.950 0.043 0.000 2.075 1104 F HA -0.233 4.410 4.527 0.194 0.000 0.297 1104 F C 2.663 178.513 175.800 0.084 0.000 1.113 1104 F CA 2.369 60.418 58.000 0.082 0.000 1.218 1104 F CB -0.210 38.865 39.000 0.126 0.000 0.984 1104 F HN 0.092 nan 8.300 nan 0.000 0.472 1105 Q N -0.490 119.496 119.800 0.311 0.000 2.084 1105 Q HA -0.204 4.252 4.340 0.193 0.000 0.202 1105 Q C 1.604 177.683 176.000 0.131 0.000 0.978 1105 Q CA 1.946 57.889 55.803 0.232 0.000 0.844 1105 Q CB -0.024 28.866 28.738 0.254 0.000 0.898 1105 Q HN 0.457 nan 8.270 nan 0.000 0.426 1106 M N -1.261 118.379 119.600 0.068 0.000 2.300 1106 M HA 0.275 4.871 4.480 0.193 0.000 0.313 1106 M C 0.188 176.504 176.300 0.026 0.000 0.988 1106 M CA 0.337 55.664 55.300 0.045 0.000 1.012 1106 M CB 2.015 34.621 32.600 0.011 0.000 1.586 1106 M HN 0.244 nan 8.290 nan 0.000 0.562 1107 G N 1.187 109.989 108.800 0.003 0.000 2.731 1107 G HA2 -0.175 3.901 3.960 0.193 0.000 0.686 1107 G HA3 -0.175 3.901 3.960 0.193 0.000 0.686 1107 G C 0.295 175.193 174.900 -0.002 0.000 1.395 1107 G CA -0.075 45.015 45.100 -0.017 0.000 0.870 1107 G HN 0.421 nan 8.290 nan 0.000 0.591 1108 E N -0.611 119.581 120.200 -0.012 0.000 2.171 1108 E HA -0.169 4.297 4.350 0.193 0.000 0.197 1108 E C 2.688 179.294 176.600 0.010 0.000 0.997 1108 E CA 3.020 59.417 56.400 -0.005 0.000 0.810 1108 E CB -0.836 28.852 29.700 -0.019 0.000 0.738 1108 E HN 1.925 nan 8.360 nan 0.000 0.467 1109 T N -3.273 111.288 114.554 0.010 0.000 3.035 1109 T HA 0.255 4.721 4.350 0.193 0.000 0.259 1109 T C 2.278 177.000 174.700 0.036 0.000 1.078 1109 T CA 0.839 62.949 62.100 0.018 0.000 1.132 1109 T CB 0.178 69.049 68.868 0.006 0.000 0.900 1109 T HN 0.422 nan 8.240 nan 0.000 0.480 1110 G N 1.772 110.598 108.800 0.045 0.000 2.414 1110 G HA2 -0.129 3.948 3.960 0.193 0.000 0.215 1110 G HA3 -0.129 3.948 3.960 0.193 0.000 0.215 1110 G C 1.591 176.592 174.900 0.168 0.000 1.188 1110 G CA 0.842 45.985 45.100 0.072 0.000 0.783 1110 G HN 0.422 nan 8.290 nan 0.000 0.537 1111 V N 1.758 121.767 119.914 0.157 0.000 2.469 1111 V HA -0.156 4.080 4.120 0.193 0.000 0.251 1111 V C 3.249 179.485 176.094 0.238 0.000 1.064 1111 V CA 1.831 64.240 62.300 0.182 0.000 1.066 1111 V CB -0.787 31.029 31.823 -0.012 0.000 0.667 1111 V HN 0.465 nan 8.190 nan 0.000 0.461 1112 A N 0.363 123.263 122.820 0.132 0.000 2.172 1112 A HA 0.027 4.463 4.320 0.193 0.000 0.216 1112 A C 2.170 179.817 177.584 0.105 0.000 1.154 1112 A CA 1.376 53.472 52.037 0.097 0.000 0.701 1112 A CB -0.656 18.373 19.000 0.049 0.000 0.789 1112 A HN 0.562 nan 8.150 nan 0.000 0.465 1113 G N -1.928 106.940 108.800 0.112 0.000 2.985 1113 G HA2 0.246 4.322 3.960 0.193 0.000 0.209 1113 G HA3 0.246 4.322 3.960 0.193 0.000 0.209 1113 G C 0.228 175.093 174.900 -0.058 0.000 1.165 1113 G CA -0.219 44.878 45.100 -0.004 0.000 0.776 1113 G HN 0.404 nan 8.290 nan 0.000 0.541 1114 F N 1.826 121.766 119.950 -0.017 0.000 2.606 1114 F HA 0.239 4.882 4.527 0.193 0.000 0.347 1114 F C 1.827 177.616 175.800 -0.018 0.000 1.207 1114 F CA -0.405 57.588 58.000 -0.011 0.000 1.306 1114 F CB 0.398 39.382 39.000 -0.026 0.000 1.657 1114 F HN -0.087 nan 8.300 nan 0.000 0.606 1115 T N -0.474 114.138 114.554 0.097 0.000 2.674 1115 T HA -0.205 4.261 4.350 0.193 0.000 0.265 1115 T C 2.143 176.874 174.700 0.051 0.000 1.039 1115 T CA 1.312 63.447 62.100 0.058 0.000 1.150 1115 T CB -0.102 68.779 68.868 0.023 0.000 0.864 1115 T HN 0.424 nan 8.240 nan 0.000 0.427 1116 N N 1.134 119.864 118.700 0.049 0.000 2.094 1116 N HA -0.091 4.765 4.740 0.193 0.000 0.191 1116 N C 2.040 177.570 175.510 0.034 0.000 1.023 1116 N CA 1.524 54.594 53.050 0.034 0.000 0.857 1116 N CB -0.232 38.276 38.487 0.034 0.000 1.013 1116 N HN 0.349 nan 8.380 nan 0.000 0.426 1117 S N 0.855 116.599 115.700 0.073 0.000 2.446 1117 S HA 0.111 4.697 4.470 0.193 0.000 0.225 1117 S C 2.184 176.763 174.600 -0.035 0.000 1.016 1117 S CA 0.272 58.492 58.200 0.034 0.000 0.943 1117 S CB -0.000 63.256 63.200 0.095 0.000 0.786 1117 S HN 0.224 nan 8.310 nan 0.000 0.508 1118 L N 1.159 122.380 121.223 -0.004 0.000 2.109 1118 L HA 0.045 4.501 4.340 0.193 0.000 0.207 1118 L C 2.732 179.582 176.870 -0.034 0.000 1.086 1118 L CA 1.028 55.850 54.840 -0.030 0.000 0.760 1118 L CB -0.379 41.688 42.059 0.013 0.000 0.910 1118 L HN 0.226 nan 8.230 nan 0.000 0.437 1119 R N 0.428 120.914 120.500 -0.025 0.000 2.066 1119 R HA -0.136 4.320 4.340 0.193 0.000 0.232 1119 R C 2.353 178.610 176.300 -0.072 0.000 1.131 1119 R CA 1.422 57.499 56.100 -0.039 0.000 0.955 1119 R CB -0.163 30.120 30.300 -0.028 0.000 0.851 1119 R HN 0.227 nan 8.270 nan 0.000 0.432 1120 M N 0.411 119.967 119.600 -0.073 0.000 2.202 1120 M HA -0.177 4.419 4.480 0.193 0.000 0.262 1120 M C 2.014 178.215 176.300 -0.166 0.000 1.063 1120 M CA 1.468 56.704 55.300 -0.106 0.000 1.097 1120 M CB -0.025 32.533 32.600 -0.069 0.000 1.382 1120 M HN 0.236 nan 8.290 nan 0.000 0.413 1121 L N -0.922 120.225 121.223 -0.128 0.000 2.179 1121 L HA -0.171 4.285 4.340 0.193 0.000 0.208 1121 L C 2.495 179.284 176.870 -0.136 0.000 1.096 1121 L CA 0.980 55.763 54.840 -0.096 0.000 0.779 1121 L CB -0.439 41.586 42.059 -0.057 0.000 0.922 1121 L HN 0.363 nan 8.230 nan 0.000 0.443 1122 Q N 0.105 119.840 119.800 -0.109 0.000 2.083 1122 Q HA -0.198 4.258 4.340 0.193 0.000 0.198 1122 Q C 1.860 177.763 176.000 -0.162 0.000 0.969 1122 Q CA 1.202 56.951 55.803 -0.090 0.000 0.838 1122 Q CB 0.139 28.848 28.738 -0.049 0.000 0.900 1122 Q HN 0.494 nan 8.270 nan 0.000 0.436 1123 Q N -0.024 119.661 119.800 -0.193 0.000 2.515 1123 Q HA -0.042 4.415 4.340 0.193 0.000 0.214 1123 Q C -0.149 175.632 176.000 -0.366 0.000 0.971 1123 Q CA 0.297 55.971 55.803 -0.215 0.000 0.952 1123 Q CB 0.373 29.012 28.738 -0.166 0.000 0.999 1123 Q HN 0.185 nan 8.270 nan 0.000 0.524 1124 K N -0.702 119.339 120.400 -0.598 0.000 3.529 1124 K HA -0.212 4.224 4.320 0.193 0.000 0.313 1124 K C -0.539 175.233 176.600 -1.380 0.000 1.316 1124 K CA 0.958 56.520 56.287 -1.209 0.000 0.988 1124 K CB -1.343 30.730 32.500 -0.711 0.000 1.252 1124 K HN 0.420 nan 8.250 nan 0.000 0.438 1125 R N 0.640 120.709 120.500 -0.718 0.000 2.488 1125 R HA 0.003 4.459 4.340 0.193 0.000 0.306 1125 R C 1.004 177.122 176.300 -0.302 0.000 1.271 1125 R CA 0.186 56.027 56.100 -0.431 0.000 1.022 1125 R CB -0.376 29.791 30.300 -0.223 0.000 1.054 1125 R HN 0.274 nan 8.270 nan 0.000 0.500 1126 W N 1.496 122.787 121.300 -0.015 0.000 2.452 1126 W HA -0.064 4.713 4.660 0.194 0.000 0.313 1126 W C 1.547 178.069 176.519 0.004 0.000 1.176 1126 W CA 0.093 57.436 57.345 -0.004 0.000 1.350 1126 W CB -0.126 29.342 29.460 0.013 0.000 1.148 1126 W HN 0.430 nan 8.180 nan 0.000 0.498 1127 D N 0.505 121.050 120.400 0.241 0.000 2.158 1127 D HA -0.191 4.565 4.640 0.193 0.000 0.197 1127 D C 1.821 178.170 176.300 0.082 0.000 0.995 1127 D CA 1.594 55.675 54.000 0.136 0.000 0.846 1127 D CB -0.203 40.653 40.800 0.093 0.000 0.941 1127 D HN 0.246 nan 8.370 nan 0.000 0.456 1128 E N -0.028 120.201 120.200 0.048 0.000 2.047 1128 E HA -0.130 4.336 4.350 0.193 0.000 0.191 1128 E C 2.165 178.783 176.600 0.029 0.000 0.987 1128 E CA 0.906 57.318 56.400 0.019 0.000 0.799 1128 E CB -0.131 29.559 29.700 -0.015 0.000 0.752 1128 E HN 0.242 nan 8.360 nan 0.000 0.449 1129 A N 1.760 124.602 122.820 0.036 0.000 1.908 1129 A HA -0.195 4.241 4.320 0.193 0.000 0.218 1129 A C 2.416 180.041 177.584 0.068 0.000 1.181 1129 A CA 1.941 53.997 52.037 0.032 0.000 0.627 1129 A CB -0.723 18.283 19.000 0.010 0.000 0.818 1129 A HN 0.301 nan 8.150 nan 0.000 0.445 1130 A N -0.585 122.299 122.820 0.107 0.000 1.858 1130 A HA -0.046 4.390 4.320 0.193 0.000 0.216 1130 A C 2.203 179.825 177.584 0.063 0.000 1.190 1130 A CA 1.926 54.036 52.037 0.122 0.000 0.617 1130 A CB -1.088 17.992 19.000 0.133 0.000 0.827 1130 A HN 0.496 nan 8.150 nan 0.000 0.443 1131 V N 0.624 120.559 119.914 0.036 0.000 2.594 1131 V HA -0.246 3.991 4.120 0.193 0.000 0.253 1131 V C 2.317 178.408 176.094 -0.006 0.000 1.069 1131 V CA 2.250 64.547 62.300 -0.005 0.000 1.082 1131 V CB -1.205 30.617 31.823 -0.002 0.000 0.680 1131 V HN 0.677 nan 8.190 nan 0.000 0.469 1132 N N 0.228 118.946 118.700 0.030 0.000 2.106 1132 N HA -0.070 4.786 4.740 0.193 0.000 0.188 1132 N C 1.650 177.221 175.510 0.101 0.000 1.029 1132 N CA 1.297 54.377 53.050 0.051 0.000 0.848 1132 N CB -0.222 38.300 38.487 0.058 0.000 1.007 1132 N HN 0.395 nan 8.380 nan 0.000 0.423 1133 L N -0.208 121.105 121.223 0.149 0.000 2.275 1133 L HA -0.027 4.429 4.340 0.193 0.000 0.215 1133 L C 2.236 179.226 176.870 0.200 0.000 1.119 1133 L CA 0.792 55.810 54.840 0.297 0.000 0.790 1133 L CB -0.492 41.796 42.059 0.381 0.000 0.919 1133 L HN 0.218 nan 8.230 nan 0.000 0.443 1134 A N 0.425 123.212 122.820 -0.056 0.000 1.933 1134 A HA -0.198 4.238 4.320 0.193 0.000 0.218 1134 A C 2.179 179.565 177.584 -0.329 0.000 1.175 1134 A CA 1.365 53.111 52.037 -0.485 0.000 0.628 1134 A CB -0.309 18.333 19.000 -0.597 0.000 0.814 1134 A HN 0.325 nan 8.150 nan 0.000 0.444 1135 K N 1.035 121.373 120.400 -0.104 0.000 2.585 1135 K HA -0.036 4.400 4.320 0.193 0.000 0.194 1135 K C 0.933 177.566 176.600 0.056 0.000 1.037 1135 K CA 0.613 56.883 56.287 -0.028 0.000 0.964 1135 K CB -0.272 32.223 32.500 -0.008 0.000 0.787 1135 K HN 0.629 nan 8.250 nan 0.000 0.488 1136 S N 0.097 115.885 115.700 0.146 0.000 2.645 1136 S HA 0.168 4.754 4.470 0.193 0.000 0.266 1136 S C 0.987 175.725 174.600 0.230 0.000 1.258 1136 S CA -0.762 57.573 58.200 0.224 0.000 0.990 1136 S CB 1.850 65.333 63.200 0.471 0.000 0.967 1136 S HN 0.116 nan 8.310 nan 0.000 0.556 1137 R N 0.125 120.741 120.500 0.193 0.000 2.148 1137 R HA 0.018 4.474 4.340 0.193 0.000 0.223 1137 R C 1.850 178.320 176.300 0.283 0.000 1.088 1137 R CA 1.525 57.733 56.100 0.181 0.000 0.985 1137 R CB -1.016 29.350 30.300 0.110 0.000 0.880 1137 R HN 0.870 nan 8.270 nan 0.000 0.451 1138 W N 0.004 121.425 121.300 0.201 0.000 2.342 1138 W HA -0.239 4.537 4.660 0.193 0.000 0.297 1138 W C 1.550 178.212 176.519 0.238 0.000 1.213 1138 W CA 1.623 59.121 57.345 0.255 0.000 1.251 1138 W CB -0.846 28.866 29.460 0.420 0.000 1.136 1138 W HN 0.220 nan 8.180 nan 0.000 0.526 1139 Y N 1.348 121.601 120.300 -0.078 0.000 2.163 1139 Y HA -0.178 4.489 4.550 0.194 0.000 0.288 1139 Y C 2.457 178.273 175.900 -0.140 0.000 1.136 1139 Y CA 2.696 60.628 58.100 -0.280 0.000 1.147 1139 Y CB -0.979 37.390 38.460 -0.151 0.000 0.987 1139 Y HN -0.010 nan 8.280 nan 0.000 0.509 1140 N N -0.479 118.292 118.700 0.118 0.000 2.149 1140 N HA -0.228 4.628 4.740 0.193 0.000 0.188 1140 N C 1.795 177.289 175.510 -0.027 0.000 1.019 1140 N CA 1.143 54.217 53.050 0.040 0.000 0.857 1140 N CB -0.119 38.422 38.487 0.091 0.000 0.997 1140 N HN 0.496 nan 8.380 nan 0.000 0.426 1141 Q N 0.083 119.890 119.800 0.011 0.000 2.020 1141 Q HA -0.069 4.387 4.340 0.193 0.000 0.202 1141 Q C 0.622 176.604 176.000 -0.030 0.000 0.982 1141 Q CA 1.295 57.111 55.803 0.023 0.000 0.838 1141 Q CB -0.074 28.727 28.738 0.105 0.000 0.899 1141 Q HN 0.410 nan 8.270 nan 0.000 0.423 1142 T N -2.150 112.344 114.554 -0.101 0.000 3.317 1142 T HA 0.351 4.817 4.350 0.193 0.000 0.361 1142 T C -2.530 171.974 174.700 -0.326 0.000 1.499 1142 T CA -1.506 60.516 62.100 -0.130 0.000 1.529 1142 T CB 1.384 70.248 68.868 -0.006 0.000 0.997 1142 T HN -0.077 nan 8.240 nan 0.000 0.624 1143 P HA 0.037 nan 4.420 nan 0.000 0.225 1143 P C 0.972 177.948 177.300 -0.540 0.000 1.156 1143 P CA 0.718 63.382 63.100 -0.727 0.000 0.787 1143 P CB 0.105 31.427 31.700 -0.628 0.000 0.802 1144 N N -0.669 117.864 118.700 -0.278 0.000 2.220 1144 N HA -0.021 4.835 4.740 0.193 0.000 0.182 1144 N C 1.945 177.366 175.510 -0.147 0.000 1.023 1144 N CA 0.316 53.268 53.050 -0.163 0.000 0.856 1144 N CB -0.318 38.151 38.487 -0.030 0.000 0.997 1144 N HN -0.061 nan 8.380 nan 0.000 0.429 1145 R N 1.010 121.443 120.500 -0.111 0.000 2.105 1145 R HA -0.074 4.382 4.340 0.193 0.000 0.239 1145 R C 2.012 178.273 176.300 -0.065 0.000 1.135 1145 R CA 1.306 57.390 56.100 -0.027 0.000 0.967 1145 R CB -0.151 30.193 30.300 0.072 0.000 0.861 1145 R HN 0.210 nan 8.270 nan 0.000 0.442 1146 A N 1.047 123.671 122.820 -0.326 0.000 1.877 1146 A HA -0.170 4.267 4.320 0.193 0.000 0.216 1146 A C 1.970 179.449 177.584 -0.174 0.000 1.186 1146 A CA 1.525 53.212 52.037 -0.583 0.000 0.620 1146 A CB -0.341 18.082 19.000 -0.960 0.000 0.822 1146 A HN 0.300 nan 8.150 nan 0.000 0.443 1147 K N -0.730 119.596 120.400 -0.124 0.000 2.152 1147 K HA -0.126 4.310 4.320 0.193 0.000 0.206 1147 K C 2.252 178.834 176.600 -0.031 0.000 1.048 1147 K CA 1.502 57.786 56.287 -0.005 0.000 0.933 1147 K CB -0.136 32.342 32.500 -0.037 0.000 0.721 1147 K HN 0.395 nan 8.250 nan 0.000 0.447 1148 R N -0.172 120.278 120.500 -0.084 0.000 2.127 1148 R HA 0.001 4.458 4.340 0.193 0.000 0.217 1148 R C 2.155 178.451 176.300 -0.007 0.000 1.074 1148 R CA 0.586 56.589 56.100 -0.162 0.000 0.991 1148 R CB 0.103 30.164 30.300 -0.399 0.000 0.895 1148 R HN 0.000 nan 8.270 nan 0.000 0.450 1149 V N 1.182 121.154 119.914 0.096 0.000 2.346 1149 V HA -0.163 4.073 4.120 0.193 0.000 0.244 1149 V C 2.202 178.339 176.094 0.072 0.000 1.037 1149 V CA 1.423 63.786 62.300 0.105 0.000 1.029 1149 V CB -0.255 31.773 31.823 0.341 0.000 0.663 1149 V HN 0.218 nan 8.190 nan 0.000 0.454 1150 I N 0.170 120.887 120.570 0.246 0.000 2.208 1150 I HA -0.260 4.026 4.170 0.193 0.000 0.245 1150 I C 2.543 178.764 176.117 0.175 0.000 1.097 1150 I CA 1.833 63.324 61.300 0.319 0.000 1.363 1150 I CB -0.572 37.576 38.000 0.246 0.000 1.051 1150 I HN 0.307 nan 8.210 nan 0.000 0.413 1151 T N -0.046 114.549 114.554 0.068 0.000 2.788 1151 T HA -0.158 4.308 4.350 0.193 0.000 0.268 1151 T C 1.891 176.564 174.700 -0.044 0.000 1.044 1151 T CA 1.961 64.069 62.100 0.014 0.000 1.139 1151 T CB -0.255 68.601 68.868 -0.019 0.000 0.867 1151 T HN 0.386 nan 8.240 nan 0.000 0.454 1152 T N 1.613 116.106 114.554 -0.101 0.000 2.746 1152 T HA -0.039 4.427 4.350 0.193 0.000 0.267 1152 T C 1.542 176.060 174.700 -0.303 0.000 1.039 1152 T CA 1.004 62.949 62.100 -0.259 0.000 1.142 1152 T CB -0.429 68.235 68.868 -0.341 0.000 0.866 1152 T HN 0.260 nan 8.240 nan 0.000 0.444 1153 F N 1.318 121.188 119.950 -0.133 0.000 2.113 1153 F HA 0.077 4.721 4.527 0.194 0.000 0.297 1153 F C 2.610 178.275 175.800 -0.226 0.000 1.103 1153 F CA 0.635 58.534 58.000 -0.167 0.000 1.248 1153 F CB -0.536 38.465 39.000 0.002 0.000 0.999 1153 F HN -0.035 nan 8.300 nan 0.000 0.475 1154 R N 0.040 120.608 120.500 0.113 0.000 2.080 1154 R HA -0.171 4.285 4.340 0.193 0.000 0.236 1154 R C 2.154 178.396 176.300 -0.098 0.000 1.137 1154 R CA 2.332 58.475 56.100 0.073 0.000 0.943 1154 R CB -0.646 29.707 30.300 0.089 0.000 0.846 1154 R HN 0.442 nan 8.270 nan 0.000 0.431 1155 T N -4.198 110.268 114.554 -0.146 0.000 3.037 1155 T HA 0.154 4.620 4.350 0.193 0.000 0.252 1155 T C 1.272 175.797 174.700 -0.291 0.000 1.073 1155 T CA 0.639 62.635 62.100 -0.174 0.000 1.091 1155 T CB 0.496 69.298 68.868 -0.111 0.000 0.935 1155 T HN 0.424 nan 8.240 nan 0.000 0.488 1156 G N 1.978 110.540 108.800 -0.396 0.000 2.198 1156 G HA2 -0.213 3.863 3.960 0.193 0.000 0.260 1156 G HA3 -0.213 3.863 3.960 0.193 0.000 0.260 1156 G C 0.210 174.852 174.900 -0.430 0.000 1.025 1156 G CA 0.761 45.581 45.100 -0.467 0.000 0.769 1156 G HN 1.222 nan 8.290 nan 0.000 0.507 1157 T N -4.598 109.720 114.554 -0.394 0.000 2.864 1157 T HA 0.603 5.069 4.350 0.193 0.000 0.289 1157 T C 0.141 174.626 174.700 -0.358 0.000 1.082 1157 T CA -0.563 61.330 62.100 -0.345 0.000 1.009 1157 T CB 1.308 70.103 68.868 -0.122 0.000 1.234 1157 T HN 0.377 nan 8.240 nan 0.000 0.526 1158 W N 0.246 121.544 121.300 -0.003 0.000 3.151 1158 W HA 0.326 5.102 4.660 0.194 0.000 0.424 1158 W C 0.557 177.133 176.519 0.095 0.000 1.012 1158 W CA -0.615 56.770 57.345 0.065 0.000 2.018 1158 W CB -0.026 29.442 29.460 0.014 0.000 1.087 1158 W HN 0.657 nan 8.180 nan 0.000 0.740 1159 D N 0.710 121.221 120.400 0.184 0.000 2.310 1159 D HA -0.118 4.638 4.640 0.193 0.000 0.212 1159 D C 2.138 178.487 176.300 0.082 0.000 0.965 1159 D CA 1.101 55.170 54.000 0.114 0.000 0.879 1159 D CB -0.276 40.554 40.800 0.049 0.000 0.921 1159 D HN 0.252 nan 8.370 nan 0.000 0.510 1160 A N -0.230 122.638 122.820 0.080 0.000 1.972 1160 A HA -0.110 4.326 4.320 0.193 0.000 0.219 1160 A C 0.705 178.154 177.584 -0.226 0.000 1.169 1160 A CA 0.990 52.974 52.037 -0.089 0.000 0.635 1160 A CB -0.263 18.646 19.000 -0.152 0.000 0.810 1160 A HN 0.191 nan 8.150 nan 0.000 0.446 1161 Y N 0.000 120.356 120.300 0.093 0.000 2.660 1161 Y HA 0.000 4.666 4.550 0.193 0.000 0.201 1161 Y CA 0.000 58.145 58.100 0.074 0.000 1.940 1161 Y CB 0.000 38.519 38.460 0.099 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758