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 3oe6_1_A DATA FIRST_RESID 35 DATA SEQUENCE NFNKIFLPTI YSIIFLTGIV GNGLVILVMG YQKKLRSMTD KYRLHLSVAD DATA SEQUENCE LLFVITLPFW AVDAVANWYF GNFLcKAVHV IYTVNLYSSV WILAFISLDR DATA SEQUENCE YLAIVHATNS QRPRKLLAEK VVYVGVWIPA LLLTIPDFIF ANVSEADDRY DATA SEQUENCE IcDRFYPNDL WVVVFQFQHI MVGLILPGIV ILSCYCIIIS KLXXXXXXXX DATA SEQUENCE RKALKTTVIL ILAFFACWLP YYIGISIDSF ILLEIIKQGC EFENTVHKWI DATA SEQUENCE SITEALAFFH CCLNPILYAF LGAKFKTSXX 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 XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXDEGLR LKIYKDTEGY YTIGIGHLLT DATA SEQUENCE KSPSLNAAKS ELDKAIGRNT NGVITKDEAE KLFNQDVDAA VRGILRNAKL DATA SEQUENCE KPVYDSLDAV RRAALINMVF QMGETGVAGF XXSLRMLQQK RWDEAAVNLA DATA SEQUENCE KSRWYNQTPN RAKRVITTFR TGTWD 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.445 175.510 -0.108 0.000 1.280 35 N CA 0.000 52.986 53.050 -0.106 0.000 0.885 35 N CB 0.000 38.386 38.487 -0.169 0.000 1.341 36 F N 2.362 122.373 119.950 0.102 0.000 2.583 36 F HA -0.042 4.485 4.527 0.001 0.000 0.297 36 F C 2.005 177.938 175.800 0.221 0.000 1.131 36 F CA 1.074 59.153 58.000 0.131 0.000 1.467 36 F CB -0.658 38.451 39.000 0.182 0.000 1.097 36 F HN 0.286 nan 8.300 nan 0.000 0.586 37 N N 0.433 119.315 118.700 0.303 0.000 2.443 37 N HA -0.172 4.569 4.740 0.001 0.000 0.184 37 N C 1.402 177.020 175.510 0.181 0.000 1.037 37 N CA 0.988 54.177 53.050 0.231 0.000 0.896 37 N CB -0.369 38.187 38.487 0.115 0.000 0.959 37 N HN 0.189 nan 8.380 nan 0.000 0.442 38 K N -0.266 120.217 120.400 0.138 0.000 2.155 38 K HA 0.016 4.336 4.320 0.001 0.000 0.203 38 K C 1.331 177.987 176.600 0.094 0.000 1.052 38 K CA 0.981 57.331 56.287 0.105 0.000 0.948 38 K CB 0.022 32.557 32.500 0.059 0.000 0.728 38 K HN 0.274 nan 8.250 nan 0.000 0.448 39 I N -0.193 120.428 120.570 0.085 0.000 2.400 39 I HA -0.117 4.054 4.170 0.001 0.000 0.248 39 I C 1.797 177.867 176.117 -0.079 0.000 1.109 39 I CA 1.050 62.342 61.300 -0.014 0.000 1.425 39 I CB -0.192 37.787 38.000 -0.036 0.000 1.094 39 I HN -0.052 nan 8.210 nan 0.000 0.425 40 F N 0.557 120.508 119.950 0.001 0.000 2.022 40 F HA -0.160 4.367 4.527 0.000 0.000 0.293 40 F C 2.312 178.034 175.800 -0.129 0.000 1.142 40 F CA 1.522 59.475 58.000 -0.078 0.000 1.177 40 F CB -0.845 38.081 39.000 -0.124 0.000 0.982 40 F HN -0.146 nan 8.300 nan 0.000 0.473 41 L N 0.348 121.609 121.223 0.063 0.000 1.990 41 L HA -0.193 4.147 4.340 0.001 0.000 0.213 41 L C -0.404 176.367 176.870 -0.166 0.000 1.072 41 L CA 1.466 56.189 54.840 -0.194 0.000 0.755 41 L CB -2.412 39.609 42.059 -0.063 0.000 0.889 41 L HN 0.121 nan 8.230 nan 0.000 0.432 42 P HA -0.116 nan 4.420 nan 0.000 0.222 42 P C 1.414 178.782 177.300 0.114 0.000 1.147 42 P CA 1.392 64.607 63.100 0.192 0.000 0.790 42 P CB -0.096 31.705 31.700 0.167 0.000 0.780 43 T N 0.652 115.229 114.554 0.038 0.000 2.732 43 T HA -0.031 4.319 4.350 0.001 0.000 0.261 43 T C 1.991 176.702 174.700 0.019 0.000 1.040 43 T CA 1.097 63.211 62.100 0.023 0.000 1.145 43 T CB -0.745 68.115 68.868 -0.012 0.000 0.866 43 T HN 0.069 nan 8.240 nan 0.000 0.427 44 I N 0.051 120.590 120.570 -0.052 0.000 2.226 44 I HA -0.175 3.996 4.170 0.001 0.000 0.245 44 I C 2.176 178.305 176.117 0.020 0.000 1.100 44 I CA 1.361 62.615 61.300 -0.077 0.000 1.374 44 I CB -0.489 37.399 38.000 -0.187 0.000 1.057 44 I HN 0.185 nan 8.210 nan 0.000 0.413 45 Y N 0.780 121.147 120.300 0.112 0.000 2.242 45 Y HA -0.165 4.386 4.550 0.000 0.000 0.291 45 Y C 2.917 178.874 175.900 0.094 0.000 1.137 45 Y CA 0.845 59.011 58.100 0.110 0.000 1.181 45 Y CB -1.076 37.467 38.460 0.138 0.000 0.989 45 Y HN 0.086 nan 8.280 nan 0.000 0.527 46 S N 0.039 115.882 115.700 0.239 0.000 2.368 46 S HA -0.137 4.333 4.470 0.001 0.000 0.224 46 S C 2.119 176.828 174.600 0.182 0.000 1.029 46 S CA 1.273 59.597 58.200 0.206 0.000 0.988 46 S CB -0.509 62.777 63.200 0.143 0.000 0.838 46 S HN 0.344 nan 8.310 nan 0.000 0.462 47 I N 1.342 121.989 120.570 0.129 0.000 2.142 47 I HA -0.200 3.970 4.170 0.001 0.000 0.240 47 I C 1.967 178.144 176.117 0.100 0.000 1.078 47 I CA 1.296 62.654 61.300 0.096 0.000 1.343 47 I CB -0.440 37.606 38.000 0.077 0.000 1.046 47 I HN 0.229 nan 8.210 nan 0.000 0.405 48 I N -0.023 120.627 120.570 0.134 0.000 2.226 48 I HA -0.314 3.856 4.170 0.001 0.000 0.245 48 I C 2.460 178.606 176.117 0.049 0.000 1.100 48 I CA 1.598 62.960 61.300 0.104 0.000 1.374 48 I CB -0.476 37.613 38.000 0.148 0.000 1.057 48 I HN 0.178 nan 8.210 nan 0.000 0.413 49 F N 0.954 120.869 119.950 -0.058 0.000 2.146 49 F HA -0.210 4.318 4.527 0.001 0.000 0.298 49 F C 2.169 177.928 175.800 -0.069 0.000 1.096 49 F CA 1.388 59.324 58.000 -0.106 0.000 1.275 49 F CB -0.017 38.913 39.000 -0.117 0.000 1.008 49 F HN -0.076 nan 8.300 nan 0.000 0.480 50 L N 0.663 121.729 121.223 -0.261 0.000 2.044 50 L HA -0.103 4.237 4.340 0.001 0.000 0.205 50 L C 2.723 179.457 176.870 -0.225 0.000 1.075 50 L CA 2.349 56.990 54.840 -0.332 0.000 0.747 50 L CB -1.061 40.926 42.059 -0.119 0.000 0.903 50 L HN 0.422 nan 8.230 nan 0.000 0.435 51 T N -4.574 109.914 114.554 -0.110 0.000 3.055 51 T HA 0.046 4.396 4.350 0.001 0.000 0.265 51 T C 1.736 176.377 174.700 -0.099 0.000 1.111 51 T CA 0.626 62.684 62.100 -0.070 0.000 1.118 51 T CB -0.512 68.361 68.868 0.009 0.000 0.909 51 T HN 0.328 nan 8.240 nan 0.000 0.501 52 G N 1.128 109.849 108.800 -0.132 0.000 2.441 52 G HA2 0.114 4.074 3.960 0.001 0.000 0.212 52 G HA3 0.114 4.074 3.960 0.001 0.000 0.212 52 G C 1.418 176.229 174.900 -0.148 0.000 1.164 52 G CA 0.010 45.035 45.100 -0.125 0.000 0.811 52 G HN 0.386 nan 8.290 nan 0.000 0.535 53 I N 1.087 121.503 120.570 -0.257 0.000 2.226 53 I HA -0.093 4.077 4.170 0.001 0.000 0.245 53 I C 2.817 178.826 176.117 -0.181 0.000 1.100 53 I CA 0.894 62.035 61.300 -0.264 0.000 1.374 53 I CB -0.340 37.358 38.000 -0.504 0.000 1.057 53 I HN 0.020 nan 8.210 nan 0.000 0.413 54 V N 0.539 120.346 119.914 -0.178 0.000 2.273 54 V HA -0.091 4.029 4.120 0.001 0.000 0.242 54 V C 2.568 178.608 176.094 -0.091 0.000 1.035 54 V CA 1.725 63.951 62.300 -0.124 0.000 1.013 54 V CB -1.365 30.389 31.823 -0.116 0.000 0.652 54 V HN 0.456 nan 8.190 nan 0.000 0.452 55 G N 1.031 109.782 108.800 -0.083 0.000 2.739 55 G HA2 -0.313 3.647 3.960 0.001 0.000 0.216 55 G HA3 -0.313 3.647 3.960 0.001 0.000 0.216 55 G C 1.327 176.206 174.900 -0.036 0.000 1.298 55 G CA 1.199 46.267 45.100 -0.054 0.000 0.804 55 G HN 0.526 nan 8.290 nan 0.000 0.623 56 N N 1.435 120.115 118.700 -0.034 0.000 2.289 56 N HA -0.104 4.636 4.740 0.001 0.000 0.184 56 N C 2.290 177.790 175.510 -0.017 0.000 1.016 56 N CA 1.142 54.188 53.050 -0.006 0.000 0.872 56 N CB -0.410 38.081 38.487 0.006 0.000 0.973 56 N HN 0.378 nan 8.380 nan 0.000 0.433 57 G N 1.830 110.604 108.800 -0.042 0.000 2.421 57 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 57 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 57 G C 1.724 176.596 174.900 -0.046 0.000 1.171 57 G CA 0.291 45.364 45.100 -0.045 0.000 0.775 57 G HN 0.178 nan 8.290 nan 0.000 0.543 58 L N 0.270 121.459 121.223 -0.056 0.000 2.046 58 L HA -0.108 4.233 4.340 0.001 0.000 0.208 58 L C 3.028 179.851 176.870 -0.079 0.000 1.077 58 L CA 0.518 55.316 54.840 -0.069 0.000 0.747 58 L CB -0.538 41.475 42.059 -0.077 0.000 0.896 58 L HN 0.100 nan 8.230 nan 0.000 0.432 59 V N 0.236 120.109 119.914 -0.069 0.000 2.220 59 V HA -0.334 3.786 4.120 0.001 0.000 0.246 59 V C 2.320 178.363 176.094 -0.084 0.000 1.049 59 V CA 2.214 64.453 62.300 -0.101 0.000 1.003 59 V CB -0.458 31.345 31.823 -0.034 0.000 0.634 59 V HN 0.279 nan 8.190 nan 0.000 0.444 60 I N -0.655 119.890 120.570 -0.041 0.000 2.194 60 I HA -0.300 3.870 4.170 0.001 0.000 0.246 60 I C 2.368 178.468 176.117 -0.028 0.000 1.093 60 I CA 1.616 62.897 61.300 -0.031 0.000 1.355 60 I CB -0.401 37.590 38.000 -0.014 0.000 1.046 60 I HN 0.277 nan 8.210 nan 0.000 0.413 61 L N -0.034 121.174 121.223 -0.025 0.000 1.994 61 L HA -0.172 4.168 4.340 0.001 0.000 0.208 61 L C 2.417 179.299 176.870 0.020 0.000 1.071 61 L CA 1.740 56.581 54.840 0.000 0.000 0.745 61 L CB -0.381 41.669 42.059 -0.015 0.000 0.892 61 L HN -0.019 nan 8.230 nan 0.000 0.431 62 V N -0.606 119.283 119.914 -0.040 0.000 2.358 62 V HA -0.299 3.821 4.120 0.001 0.000 0.246 62 V C 2.599 178.676 176.094 -0.029 0.000 1.047 62 V CA 1.714 63.981 62.300 -0.056 0.000 1.035 62 V CB -0.549 31.193 31.823 -0.135 0.000 0.658 62 V HN 0.411 nan 8.190 nan 0.000 0.452 63 M N 0.333 119.891 119.600 -0.070 0.000 2.149 63 M HA -0.129 4.351 4.480 0.001 0.000 0.261 63 M C 2.274 178.559 176.300 -0.025 0.000 1.064 63 M CA 2.153 57.413 55.300 -0.067 0.000 1.102 63 M CB -1.593 30.958 32.600 -0.082 0.000 1.369 63 M HN 0.477 nan 8.290 nan 0.000 0.408 64 G N -2.009 106.789 108.800 -0.004 0.000 2.421 64 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 64 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 64 G C 1.471 176.375 174.900 0.007 0.000 1.143 64 G CA 0.115 45.211 45.100 -0.007 0.000 0.784 64 G HN 0.385 nan 8.290 nan 0.000 0.541 65 Y N 1.272 121.538 120.300 -0.056 0.000 2.315 65 Y HA -0.035 4.516 4.550 0.000 0.000 0.288 65 Y C 1.502 177.375 175.900 -0.045 0.000 1.154 65 Y CA 1.401 59.472 58.100 -0.049 0.000 1.229 65 Y CB 0.386 38.815 38.460 -0.051 0.000 0.980 65 Y HN 0.305 nan 8.280 nan 0.000 0.540 66 Q N -0.615 119.236 119.800 0.085 0.000 2.345 66 Q HA 0.222 4.562 4.340 0.001 0.000 0.275 66 Q C -0.746 175.251 176.000 -0.005 0.000 1.063 66 Q CA -0.782 55.041 55.803 0.035 0.000 0.819 66 Q CB 2.098 30.870 28.738 0.057 0.000 1.356 66 Q HN 0.094 nan 8.270 nan 0.000 0.418 67 K N 1.413 121.802 120.400 -0.017 0.000 2.399 67 K HA 0.106 4.427 4.320 0.001 0.000 0.196 67 K C 1.447 178.033 176.600 -0.023 0.000 1.117 67 K CA 0.142 56.415 56.287 -0.024 0.000 0.965 67 K CB 0.527 33.009 32.500 -0.030 0.000 0.983 67 K HN 0.679 nan 8.250 nan 0.000 0.531 68 K N 0.522 120.910 120.400 -0.019 0.000 1.991 68 K HA -0.074 4.246 4.320 0.001 0.000 0.212 68 K C 0.474 177.057 176.600 -0.028 0.000 1.049 68 K CA 0.942 57.215 56.287 -0.023 0.000 0.932 68 K CB 0.118 32.607 32.500 -0.019 0.000 0.717 68 K HN 0.015 nan 8.250 nan 0.000 0.441 69 L N 2.565 123.776 121.223 -0.022 0.000 2.358 69 L HA 0.233 4.573 4.340 0.001 0.000 0.274 69 L C -0.618 176.242 176.870 -0.016 0.000 1.136 69 L CA 0.511 55.338 54.840 -0.022 0.000 0.970 69 L CB 0.410 42.460 42.059 -0.014 0.000 1.314 69 L HN 0.227 nan 8.230 nan 0.000 0.427 70 R N 1.482 121.971 120.500 -0.018 0.000 2.569 70 R HA 0.261 4.601 4.340 0.001 0.000 0.293 70 R C -0.140 176.157 176.300 -0.004 0.000 1.186 70 R CA -0.150 55.945 56.100 -0.008 0.000 0.956 70 R CB 1.676 31.965 30.300 -0.018 0.000 1.196 70 R HN 0.627 nan 8.270 nan 0.000 0.444 71 S N 2.373 118.088 115.700 0.023 0.000 2.707 71 S HA 0.222 4.692 4.470 0.001 0.000 0.276 71 S C 1.179 175.815 174.600 0.060 0.000 1.179 71 S CA -0.695 57.526 58.200 0.036 0.000 0.992 71 S CB 1.300 64.536 63.200 0.060 0.000 1.030 71 S HN 0.592 nan 8.310 nan 0.000 0.554 72 M N 1.105 120.759 119.600 0.089 0.000 2.117 72 M HA -0.032 4.448 4.480 0.001 0.000 0.262 72 M C 2.188 178.634 176.300 0.243 0.000 1.065 72 M CA 1.937 57.309 55.300 0.120 0.000 1.114 72 M CB -1.174 31.542 32.600 0.194 0.000 1.361 72 M HN 0.932 nan 8.290 nan 0.000 0.408 73 T N 0.204 114.943 114.554 0.308 0.000 2.759 73 T HA -0.155 4.195 4.350 0.001 0.000 0.269 73 T C 1.300 176.182 174.700 0.303 0.000 1.042 73 T CA 1.601 63.916 62.100 0.358 0.000 1.140 73 T CB -0.506 68.495 68.868 0.222 0.000 0.864 73 T HN 0.396 nan 8.240 nan 0.000 0.455 74 D N 0.983 121.516 120.400 0.220 0.000 2.219 74 D HA -0.018 4.623 4.640 0.001 0.000 0.205 74 D C 2.082 178.455 176.300 0.122 0.000 0.970 74 D CA 0.833 54.958 54.000 0.207 0.000 0.851 74 D CB -0.079 40.814 40.800 0.156 0.000 0.943 74 D HN 0.395 nan 8.370 nan 0.000 0.488 75 K N -0.259 120.170 120.400 0.049 0.000 2.103 75 K HA -0.085 4.235 4.320 0.001 0.000 0.204 75 K C 2.058 178.669 176.600 0.019 0.000 1.052 75 K CA 0.657 56.910 56.287 -0.057 0.000 0.945 75 K CB -0.037 32.363 32.500 -0.167 0.000 0.722 75 K HN 0.179 nan 8.250 nan 0.000 0.443 76 Y N 0.876 121.290 120.300 0.189 0.000 2.220 76 Y HA -0.083 4.468 4.550 0.000 0.000 0.291 76 Y C 2.239 178.256 175.900 0.195 0.000 1.129 76 Y CA 1.073 59.307 58.100 0.222 0.000 1.161 76 Y CB -0.173 38.371 38.460 0.140 0.000 0.997 76 Y HN -0.072 nan 8.280 nan 0.000 0.522 77 R N -0.355 120.337 120.500 0.320 0.000 2.193 77 R HA -0.142 4.198 4.340 0.001 0.000 0.229 77 R C 2.014 178.447 176.300 0.222 0.000 1.110 77 R CA 1.057 57.314 56.100 0.261 0.000 0.988 77 R CB -0.443 30.041 30.300 0.305 0.000 0.871 77 R HN 0.288 nan 8.270 nan 0.000 0.458 78 L N -0.096 121.215 121.223 0.147 0.000 2.072 78 L HA -0.114 4.226 4.340 0.001 0.000 0.205 78 L C 1.963 178.876 176.870 0.072 0.000 1.079 78 L CA 1.836 56.702 54.840 0.044 0.000 0.752 78 L CB -0.467 41.547 42.059 -0.075 0.000 0.906 78 L HN 0.170 nan 8.230 nan 0.000 0.436 79 H N -0.759 118.418 119.070 0.178 0.000 2.352 79 H HA -0.156 4.400 4.556 0.000 0.000 0.299 79 H C 2.244 177.756 175.328 0.308 0.000 1.097 79 H CA 2.065 58.295 56.048 0.303 0.000 1.311 79 H CB -0.192 29.744 29.762 0.291 0.000 1.377 79 H HN 0.304 nan 8.280 nan 0.000 0.504 80 L N 0.470 121.879 121.223 0.311 0.000 2.083 80 L HA -0.145 4.195 4.340 0.001 0.000 0.209 80 L C 2.522 179.509 176.870 0.196 0.000 1.083 80 L CA 1.191 56.150 54.840 0.199 0.000 0.752 80 L CB -0.347 41.796 42.059 0.140 0.000 0.899 80 L HN 0.035 nan 8.230 nan 0.000 0.433 81 S N -1.507 114.301 115.700 0.180 0.000 2.368 81 S HA -0.137 4.333 4.470 0.001 0.000 0.224 81 S C 1.919 176.604 174.600 0.142 0.000 1.029 81 S CA 1.339 59.620 58.200 0.136 0.000 0.988 81 S CB -0.250 63.011 63.200 0.101 0.000 0.838 81 S HN 0.301 nan 8.310 nan 0.000 0.462 82 V N 2.036 122.055 119.914 0.175 0.000 2.358 82 V HA -0.162 3.958 4.120 0.001 0.000 0.246 82 V C 2.634 178.883 176.094 0.258 0.000 1.047 82 V CA 1.628 64.030 62.300 0.170 0.000 1.035 82 V CB -1.224 30.671 31.823 0.119 0.000 0.658 82 V HN 0.525 nan 8.190 nan 0.000 0.452 83 A N -0.083 122.977 122.820 0.400 0.000 1.933 83 A HA -0.245 4.075 4.320 0.001 0.000 0.218 83 A C 1.989 179.732 177.584 0.266 0.000 1.175 83 A CA 2.097 54.379 52.037 0.409 0.000 0.628 83 A CB -0.502 18.689 19.000 0.318 0.000 0.814 83 A HN 0.560 nan 8.150 nan 0.000 0.444 84 D N -0.792 119.737 120.400 0.215 0.000 2.183 84 D HA -0.032 4.608 4.640 0.001 0.000 0.205 84 D C 1.868 178.259 176.300 0.152 0.000 0.962 84 D CA 0.850 54.961 54.000 0.186 0.000 0.849 84 D CB -0.288 40.584 40.800 0.121 0.000 0.978 84 D HN 0.357 nan 8.370 nan 0.000 0.488 85 L N 0.707 122.001 121.223 0.118 0.000 2.017 85 L HA -0.100 4.240 4.340 0.001 0.000 0.208 85 L C 2.186 179.111 176.870 0.091 0.000 1.073 85 L CA 1.187 56.071 54.840 0.074 0.000 0.745 85 L CB -0.508 41.585 42.059 0.057 0.000 0.894 85 L HN -0.056 nan 8.230 nan 0.000 0.432 86 L N -1.395 119.909 121.223 0.135 0.000 2.079 86 L HA -0.253 4.087 4.340 0.001 0.000 0.210 86 L C 2.246 179.216 176.870 0.168 0.000 1.081 86 L CA 2.041 56.970 54.840 0.148 0.000 0.752 86 L CB -0.520 41.647 42.059 0.180 0.000 0.896 86 L HN 0.442 nan 8.230 nan 0.000 0.433 87 F N -0.909 119.057 119.950 0.027 0.000 2.179 87 F HA -0.111 4.416 4.527 0.000 0.000 0.292 87 F C 2.275 178.019 175.800 -0.094 0.000 1.089 87 F CA 1.399 59.371 58.000 -0.046 0.000 1.295 87 F CB -0.295 38.645 39.000 -0.100 0.000 1.041 87 F HN -0.033 nan 8.300 nan 0.000 0.487 88 V N 1.246 120.967 119.914 -0.322 0.000 2.469 88 V HA -0.284 3.837 4.120 0.001 0.000 0.251 88 V C 2.168 178.204 176.094 -0.097 0.000 1.064 88 V CA 1.998 64.092 62.300 -0.343 0.000 1.066 88 V CB -1.702 30.044 31.823 -0.128 0.000 0.667 88 V HN 0.594 nan 8.190 nan 0.000 0.461 89 I N 1.308 121.883 120.570 0.009 0.000 2.614 89 I HA -0.101 4.069 4.170 0.001 0.000 0.258 89 I C 2.371 178.451 176.117 -0.062 0.000 1.189 89 I CA 1.879 63.230 61.300 0.085 0.000 1.462 89 I CB -1.182 36.891 38.000 0.121 0.000 1.092 89 I HN 0.440 nan 8.210 nan 0.000 0.442 90 T N -1.166 113.342 114.554 -0.076 0.000 3.088 90 T HA 0.207 4.558 4.350 0.001 0.000 0.259 90 T C 1.732 176.425 174.700 -0.013 0.000 1.122 90 T CA 0.298 62.472 62.100 0.123 0.000 1.095 90 T CB -0.490 68.482 68.868 0.173 0.000 0.930 90 T HN 0.428 nan 8.240 nan 0.000 0.508 91 L N 1.042 122.008 121.223 -0.428 0.000 2.042 91 L HA 0.013 4.354 4.340 0.001 0.000 0.210 91 L C -0.419 176.266 176.870 -0.308 0.000 1.076 91 L CA 1.300 55.844 54.840 -0.493 0.000 0.749 91 L CB -1.559 40.197 42.059 -0.505 0.000 0.893 91 L HN 0.225 nan 8.230 nan 0.000 0.432 92 P HA -0.182 nan 4.420 nan 0.000 0.218 92 P C 1.397 178.485 177.300 -0.353 0.000 1.148 92 P CA 1.476 64.243 63.100 -0.556 0.000 0.822 92 P CB -0.060 31.086 31.700 -0.923 0.000 0.784 93 F N -2.852 116.925 119.950 -0.288 0.000 2.234 93 F HA -0.092 4.435 4.527 0.000 0.000 0.299 93 F C 2.013 177.854 175.800 0.068 0.000 1.087 93 F CA 0.877 58.652 58.000 -0.375 0.000 1.340 93 F CB -1.402 37.243 39.000 -0.591 0.000 1.031 93 F HN -0.063 nan 8.300 nan 0.000 0.500 94 W N 0.191 121.489 121.300 -0.002 0.000 2.418 94 W HA 0.027 4.687 4.660 0.001 0.000 0.292 94 W C 2.560 179.055 176.519 -0.040 0.000 1.213 94 W CA 1.436 58.712 57.345 -0.115 0.000 1.283 94 W CB -1.082 28.032 29.460 -0.578 0.000 1.119 94 W HN -0.063 nan 8.180 nan 0.000 0.542 95 A N -0.201 122.751 122.820 0.221 0.000 1.873 95 A HA -0.142 4.178 4.320 0.001 0.000 0.215 95 A C 2.054 179.794 177.584 0.260 0.000 1.186 95 A CA 2.179 54.392 52.037 0.294 0.000 0.616 95 A CB -1.131 17.982 19.000 0.188 0.000 0.823 95 A HN 0.038 nan 8.150 nan 0.000 0.442 96 V N 0.777 120.838 119.914 0.246 0.000 2.343 96 V HA -0.282 3.839 4.120 0.001 0.000 0.247 96 V C 2.324 178.602 176.094 0.307 0.000 1.051 96 V CA 2.543 65.019 62.300 0.293 0.000 1.036 96 V CB -0.929 31.152 31.823 0.429 0.000 0.654 96 V HN 0.798 nan 8.190 nan 0.000 0.451 97 D N 0.034 120.665 120.400 0.384 0.000 2.218 97 D HA -0.120 4.520 4.640 0.001 0.000 0.204 97 D C 1.997 178.430 176.300 0.222 0.000 0.976 97 D CA 1.305 55.523 54.000 0.364 0.000 0.853 97 D CB -0.044 41.046 40.800 0.484 0.000 0.939 97 D HN 0.409 nan 8.370 nan 0.000 0.481 98 A N 0.007 122.970 122.820 0.238 0.000 1.855 98 A HA 0.017 4.337 4.320 0.001 0.000 0.213 98 A C 2.447 180.132 177.584 0.167 0.000 1.195 98 A CA 1.749 53.918 52.037 0.220 0.000 0.610 98 A CB -0.979 18.223 19.000 0.335 0.000 0.837 98 A HN 0.269 nan 8.150 nan 0.000 0.444 99 V N -2.656 117.360 119.914 0.171 0.000 2.231 99 V HA 0.180 4.300 4.120 0.001 0.000 0.240 99 V C 2.349 178.508 176.094 0.108 0.000 1.039 99 V CA 1.910 64.287 62.300 0.128 0.000 0.998 99 V CB -1.130 30.767 31.823 0.123 0.000 0.639 99 V HN 0.490 nan 8.190 nan 0.000 0.451 100 A N -0.587 122.311 122.820 0.130 0.000 1.983 100 A HA 0.408 4.728 4.320 0.001 0.000 0.207 100 A C 0.959 178.535 177.584 -0.013 0.000 1.412 100 A CA 0.646 52.747 52.037 0.106 0.000 0.750 100 A CB -0.080 19.055 19.000 0.226 0.000 1.047 100 A HN 0.701 nan 8.150 nan 0.000 0.504 101 N N -3.422 115.205 118.700 -0.121 0.000 3.533 101 N HA 0.049 4.789 4.740 0.001 0.000 0.229 101 N C -2.082 173.188 175.510 -0.399 0.000 1.418 101 N CA -0.474 52.321 53.050 -0.425 0.000 0.880 101 N CB 0.434 38.403 38.487 -0.864 0.000 1.415 101 N HN 0.423 nan 8.380 nan 0.000 0.491 102 W N 3.062 124.065 121.300 -0.496 0.000 2.175 102 W HA 0.255 4.915 4.660 0.000 0.000 0.350 102 W C -0.454 175.743 176.519 -0.536 0.000 0.877 102 W CA -0.228 56.912 57.345 -0.343 0.000 1.544 102 W CB -0.174 29.257 29.460 -0.047 0.000 1.585 102 W HN 0.752 nan 8.180 nan 0.000 0.347 103 Y N 1.471 121.257 120.300 -0.856 0.000 2.337 103 Y HA -0.165 4.385 4.550 0.000 0.000 0.293 103 Y C 1.942 177.457 175.900 -0.643 0.000 1.123 103 Y CA 1.228 58.890 58.100 -0.729 0.000 1.201 103 Y CB -0.641 37.383 38.460 -0.726 0.000 1.011 103 Y HN 0.174 nan 8.280 nan 0.000 0.545 104 F N 0.398 120.149 119.950 -0.331 0.000 2.225 104 F HA -0.010 4.518 4.527 0.001 0.000 0.302 104 F C 1.679 177.380 175.800 -0.164 0.000 1.068 104 F CA 0.899 58.683 58.000 -0.361 0.000 1.327 104 F CB -1.013 37.561 39.000 -0.709 0.000 1.043 104 F HN 0.106 nan 8.300 nan 0.000 0.506 105 G N 0.158 108.993 108.800 0.057 0.000 2.592 105 G HA2 -0.277 3.683 3.960 0.001 0.000 0.684 105 G HA3 -0.277 3.683 3.960 0.001 0.000 0.684 105 G C -0.015 175.131 174.900 0.410 0.000 1.291 105 G CA -0.079 45.165 45.100 0.241 0.000 0.891 105 G HN 0.168 nan 8.290 nan 0.000 0.544 106 N N -1.205 117.681 118.700 0.309 0.000 2.216 106 N HA 0.065 4.805 4.740 0.001 0.000 0.183 106 N C 2.079 177.739 175.510 0.250 0.000 1.017 106 N CA 2.071 55.275 53.050 0.256 0.000 0.861 106 N CB -0.141 38.454 38.487 0.181 0.000 0.986 106 N HN 0.531 nan 8.380 nan 0.000 0.428 107 F N 0.734 120.772 119.950 0.146 0.000 2.113 107 F HA 0.006 4.533 4.527 0.001 0.000 0.297 107 F C 1.570 177.446 175.800 0.128 0.000 1.103 107 F CA 1.089 59.163 58.000 0.123 0.000 1.248 107 F CB -0.107 38.950 39.000 0.094 0.000 0.999 107 F HN -0.028 nan 8.300 nan 0.000 0.475 108 L N -0.359 120.829 121.223 -0.058 0.000 2.362 108 L HA -0.186 4.154 4.340 0.001 0.000 0.219 108 L C 2.630 179.555 176.870 0.092 0.000 1.134 108 L CA 0.660 55.381 54.840 -0.197 0.000 0.807 108 L CB -0.668 41.271 42.059 -0.200 0.000 0.927 108 L HN 0.481 nan 8.230 nan 0.000 0.447 109 c N 0.073 118.879 118.600 0.344 0.000 2.457 109 c HA -0.103 4.468 4.570 0.001 0.000 0.278 109 c C 2.785 176.859 174.090 -0.027 0.000 1.309 109 c CA 0.654 57.118 56.329 0.226 0.000 1.735 109 c CB -0.348 42.160 42.510 -0.004 0.000 1.992 109 c HN 0.421 nan 8.230 nan 0.000 0.493 110 K N 0.439 120.773 120.400 -0.111 0.000 2.103 110 K HA 0.032 4.352 4.320 0.001 0.000 0.204 110 K C 2.273 178.715 176.600 -0.263 0.000 1.052 110 K CA 1.294 57.459 56.287 -0.202 0.000 0.945 110 K CB -0.221 32.216 32.500 -0.104 0.000 0.722 110 K HN 0.547 nan 8.250 nan 0.000 0.443 111 A N 0.950 123.566 122.820 -0.340 0.000 1.877 111 A HA -0.141 4.180 4.320 0.001 0.000 0.216 111 A C 2.286 179.799 177.584 -0.118 0.000 1.186 111 A CA 1.875 53.722 52.037 -0.316 0.000 0.620 111 A CB -0.853 17.843 19.000 -0.506 0.000 0.822 111 A HN 0.212 nan 8.150 nan 0.000 0.443 112 V N -3.107 116.780 119.914 -0.046 0.000 2.427 112 V HA -0.236 3.885 4.120 0.001 0.000 0.248 112 V C 2.163 178.344 176.094 0.146 0.000 1.051 112 V CA 2.266 64.623 62.300 0.095 0.000 1.048 112 V CB -1.423 30.490 31.823 0.150 0.000 0.666 112 V HN 0.652 nan 8.190 nan 0.000 0.456 113 H N 0.044 119.096 119.070 -0.030 0.000 2.357 113 H HA -0.003 4.553 4.556 0.001 0.000 0.301 113 H C 2.569 177.907 175.328 0.016 0.000 1.082 113 H CA 1.986 58.024 56.048 -0.016 0.000 1.342 113 H CB 0.212 29.886 29.762 -0.146 0.000 1.389 113 H HN 0.416 nan 8.280 nan 0.000 0.511 114 V N 1.347 121.258 119.914 -0.005 0.000 2.287 114 V HA -0.249 3.872 4.120 0.001 0.000 0.248 114 V C 2.605 178.727 176.094 0.047 0.000 1.053 114 V CA 1.636 63.878 62.300 -0.097 0.000 1.027 114 V CB -0.472 31.157 31.823 -0.325 0.000 0.646 114 V HN 0.287 nan 8.190 nan 0.000 0.447 115 I N -1.316 119.314 120.570 0.101 0.000 2.286 115 I HA -0.283 3.887 4.170 0.001 0.000 0.248 115 I C 2.340 178.574 176.117 0.195 0.000 1.115 115 I CA 1.781 63.183 61.300 0.171 0.000 1.392 115 I CB -0.351 37.764 38.000 0.192 0.000 1.065 115 I HN 0.379 nan 8.210 nan 0.000 0.418 116 Y N 1.394 121.745 120.300 0.085 0.000 2.242 116 Y HA -0.243 4.308 4.550 0.001 0.000 0.291 116 Y C 2.613 178.437 175.900 -0.126 0.000 1.137 116 Y CA 1.933 60.020 58.100 -0.022 0.000 1.181 116 Y CB -0.436 38.083 38.460 0.098 0.000 0.989 116 Y HN 0.074 nan 8.280 nan 0.000 0.527 117 T N -0.614 113.912 114.554 -0.047 0.000 2.812 117 T HA -0.130 4.220 4.350 0.001 0.000 0.264 117 T C 2.070 176.680 174.700 -0.150 0.000 1.042 117 T CA 1.456 63.459 62.100 -0.162 0.000 1.140 117 T CB -0.675 68.212 68.868 0.031 0.000 0.870 117 T HN 0.157 nan 8.240 nan 0.000 0.445 118 V N 2.862 122.776 119.914 -0.001 0.000 2.237 118 V HA -0.206 3.914 4.120 0.001 0.000 0.245 118 V C 2.584 178.673 176.094 -0.009 0.000 1.046 118 V CA 1.756 64.106 62.300 0.083 0.000 1.007 118 V CB -0.723 31.227 31.823 0.212 0.000 0.638 118 V HN 0.574 nan 8.190 nan 0.000 0.445 119 N N 0.011 118.677 118.700 -0.056 0.000 2.149 119 N HA -0.199 4.541 4.740 0.001 0.000 0.188 119 N C 1.867 177.247 175.510 -0.216 0.000 1.019 119 N CA 1.605 54.589 53.050 -0.111 0.000 0.857 119 N CB -0.073 38.286 38.487 -0.213 0.000 0.997 119 N HN 0.324 nan 8.380 nan 0.000 0.426 120 L N 0.437 121.395 121.223 -0.442 0.000 1.976 120 L HA -0.135 4.205 4.340 0.001 0.000 0.209 120 L C 1.976 178.663 176.870 -0.305 0.000 1.071 120 L CA 1.613 56.131 54.840 -0.537 0.000 0.746 120 L CB -0.989 40.531 42.059 -0.899 0.000 0.890 120 L HN 0.202 nan 8.230 nan 0.000 0.432 121 Y N -1.057 119.226 120.300 -0.027 0.000 2.286 121 Y HA -0.105 4.445 4.550 0.000 0.000 0.293 121 Y C 2.836 178.790 175.900 0.090 0.000 1.124 121 Y CA 0.786 58.942 58.100 0.094 0.000 1.178 121 Y CB -1.459 37.079 38.460 0.130 0.000 1.010 121 Y HN 0.333 nan 8.280 nan 0.000 0.536 122 S N 0.049 115.774 115.700 0.041 0.000 2.343 122 S HA -0.244 4.226 4.470 0.001 0.000 0.219 122 S C 2.349 176.855 174.600 -0.157 0.000 1.033 122 S CA 1.523 59.608 58.200 -0.191 0.000 1.014 122 S CB -1.323 61.572 63.200 -0.509 0.000 0.915 122 S HN 0.527 nan 8.310 nan 0.000 0.435 123 S N 1.637 117.266 115.700 -0.118 0.000 2.372 123 S HA -0.157 4.313 4.470 0.001 0.000 0.227 123 S C 1.933 176.324 174.600 -0.349 0.000 1.044 123 S CA 1.451 59.565 58.200 -0.143 0.000 1.050 123 S CB -1.417 61.803 63.200 0.034 0.000 0.901 123 S HN 0.520 nan 8.310 nan 0.000 0.447 124 V N 0.093 119.827 119.914 -0.300 0.000 2.358 124 V HA -0.064 4.056 4.120 0.001 0.000 0.246 124 V C 2.100 178.003 176.094 -0.318 0.000 1.047 124 V CA 1.865 63.913 62.300 -0.420 0.000 1.035 124 V CB -0.789 30.930 31.823 -0.173 0.000 0.658 124 V HN 0.729 nan 8.190 nan 0.000 0.452 125 W N -0.258 120.976 121.300 -0.109 0.000 2.467 125 W HA 0.021 4.681 4.660 0.001 0.000 0.275 125 W C 2.175 178.691 176.519 -0.005 0.000 1.239 125 W CA 1.034 58.360 57.345 -0.033 0.000 1.266 125 W CB -0.236 29.217 29.460 -0.012 0.000 1.112 125 W HN 0.228 nan 8.180 nan 0.000 0.576 126 I N -0.236 120.348 120.570 0.024 0.000 2.252 126 I HA -0.297 3.874 4.170 0.001 0.000 0.245 126 I C 2.095 178.182 176.117 -0.051 0.000 1.102 126 I CA 1.187 62.469 61.300 -0.031 0.000 1.385 126 I CB -0.674 37.278 38.000 -0.080 0.000 1.064 126 I HN -0.097 nan 8.210 nan 0.000 0.414 127 L N 0.497 121.626 121.223 -0.157 0.000 2.201 127 L HA -0.152 4.188 4.340 0.001 0.000 0.212 127 L C 2.736 179.538 176.870 -0.113 0.000 1.105 127 L CA 0.995 55.726 54.840 -0.182 0.000 0.775 127 L CB -0.670 41.177 42.059 -0.353 0.000 0.913 127 L HN 0.249 nan 8.230 nan 0.000 0.440 128 A N -0.504 122.252 122.820 -0.107 0.000 1.968 128 A HA -0.131 4.189 4.320 0.001 0.000 0.217 128 A C 1.984 179.498 177.584 -0.116 0.000 1.169 128 A CA 1.070 53.025 52.037 -0.137 0.000 0.638 128 A CB -0.544 18.295 19.000 -0.267 0.000 0.812 128 A HN 0.294 nan 8.150 nan 0.000 0.446 129 F N -0.003 119.846 119.950 -0.169 0.000 2.259 129 F HA 0.028 4.556 4.527 0.000 0.000 0.298 129 F C 1.987 177.458 175.800 -0.549 0.000 1.088 129 F CA 1.004 58.836 58.000 -0.279 0.000 1.358 129 F CB -0.142 38.709 39.000 -0.249 0.000 1.040 129 F HN 0.120 nan 8.300 nan 0.000 0.505 130 I N -1.361 118.983 120.570 -0.378 0.000 2.394 130 I HA -0.244 3.926 4.170 0.001 0.000 0.251 130 I C 2.209 178.238 176.117 -0.147 0.000 1.136 130 I CA 0.943 62.039 61.300 -0.339 0.000 1.425 130 I CB -0.514 37.385 38.000 -0.168 0.000 1.079 130 I HN -0.027 nan 8.210 nan 0.000 0.425 131 S N 0.872 116.498 115.700 -0.124 0.000 2.371 131 S HA -0.046 4.424 4.470 0.001 0.000 0.224 131 S C 2.012 176.459 174.600 -0.255 0.000 1.029 131 S CA 0.987 59.056 58.200 -0.219 0.000 0.978 131 S CB -0.257 62.863 63.200 -0.133 0.000 0.833 131 S HN 0.318 nan 8.310 nan 0.000 0.466 132 L N 1.146 122.247 121.223 -0.203 0.000 2.093 132 L HA -0.145 4.195 4.340 0.001 0.000 0.208 132 L C 2.229 179.093 176.870 -0.010 0.000 1.085 132 L CA 1.414 56.178 54.840 -0.128 0.000 0.755 132 L CB -0.302 41.602 42.059 -0.257 0.000 0.904 132 L HN 0.279 nan 8.230 nan 0.000 0.435 133 D N -0.836 119.534 120.400 -0.050 0.000 2.149 133 D HA -0.203 4.437 4.640 0.001 0.000 0.201 133 D C 2.273 178.578 176.300 0.008 0.000 0.972 133 D CA 0.689 54.712 54.000 0.038 0.000 0.835 133 D CB 0.215 41.083 40.800 0.114 0.000 0.966 133 D HN -0.058 nan 8.370 nan 0.000 0.476 134 R N -1.132 119.342 120.500 -0.043 0.000 2.115 134 R HA -0.103 4.237 4.340 0.001 0.000 0.226 134 R C 1.915 178.164 176.300 -0.086 0.000 1.100 134 R CA 0.972 57.039 56.100 -0.054 0.000 0.980 134 R CB -0.533 29.710 30.300 -0.094 0.000 0.875 134 R HN 0.364 nan 8.270 nan 0.000 0.445 135 Y N 0.046 120.202 120.300 -0.241 0.000 2.200 135 Y HA -0.086 4.464 4.550 0.001 0.000 0.290 135 Y C 1.353 177.112 175.900 -0.235 0.000 1.137 135 Y CA 1.526 59.478 58.100 -0.246 0.000 1.163 135 Y CB -0.151 38.145 38.460 -0.274 0.000 0.988 135 Y HN 0.004 nan 8.280 nan 0.000 0.518 136 L N 0.063 121.006 121.223 -0.466 0.000 2.095 136 L HA -0.042 4.298 4.340 0.001 0.000 0.204 136 L C 2.787 179.512 176.870 -0.241 0.000 1.080 136 L CA 0.992 55.513 54.840 -0.532 0.000 0.759 136 L CB -0.896 41.012 42.059 -0.251 0.000 0.914 136 L HN 0.311 nan 8.230 nan 0.000 0.439 137 A N -0.253 122.505 122.820 -0.104 0.000 2.067 137 A HA -0.059 4.261 4.320 0.001 0.000 0.219 137 A C 2.112 179.692 177.584 -0.007 0.000 1.158 137 A CA 1.410 53.441 52.037 -0.010 0.000 0.661 137 A CB -0.378 18.649 19.000 0.046 0.000 0.801 137 A HN 0.417 nan 8.150 nan 0.000 0.452 138 I N -1.998 118.538 120.570 -0.056 0.000 3.445 138 I HA -0.006 4.164 4.170 0.001 0.000 0.288 138 I C 1.888 177.978 176.117 -0.045 0.000 1.198 138 I CA 0.317 61.599 61.300 -0.030 0.000 1.417 138 I CB 0.399 38.391 38.000 -0.013 0.000 1.205 138 I HN 0.061 nan 8.210 nan 0.000 0.448 139 V N -0.365 119.475 119.914 -0.123 0.000 2.535 139 V HA -0.077 4.043 4.120 0.001 0.000 0.246 139 V C 0.653 176.797 176.094 0.083 0.000 1.045 139 V CA 1.019 63.275 62.300 -0.075 0.000 1.058 139 V CB -0.623 31.100 31.823 -0.167 0.000 0.689 139 V HN 0.359 nan 8.190 nan 0.000 0.461 140 H N -0.723 118.223 119.070 -0.207 0.000 2.661 140 H HA 0.527 5.084 4.556 0.000 0.000 0.290 140 H C 0.817 176.089 175.328 -0.092 0.000 1.082 140 H CA 0.003 55.964 56.048 -0.146 0.000 1.234 140 H CB 1.563 31.218 29.762 -0.179 0.000 1.387 140 H HN 0.283 nan 8.280 nan 0.000 0.476 141 A N 2.895 125.743 122.820 0.047 0.000 1.859 141 A HA -0.078 4.242 4.320 0.001 0.000 0.212 141 A C 2.171 179.775 177.584 0.034 0.000 1.238 141 A CA 1.066 53.123 52.037 0.032 0.000 0.613 141 A CB -0.524 18.484 19.000 0.013 0.000 0.904 141 A HN 0.583 nan 8.150 nan 0.000 0.457 142 T N 1.957 116.517 114.554 0.011 0.000 2.595 142 T HA -0.140 4.211 4.350 0.001 0.000 0.264 142 T C 1.199 175.904 174.700 0.008 0.000 1.058 142 T CA 1.828 63.931 62.100 0.005 0.000 1.166 142 T CB -0.576 68.280 68.868 -0.019 0.000 0.863 142 T HN 0.714 nan 8.240 nan 0.000 0.415 143 N N 1.429 120.125 118.700 -0.007 0.000 2.322 143 N HA 0.095 4.835 4.740 0.001 0.000 0.216 143 N C 1.383 176.913 175.510 0.034 0.000 1.144 143 N CA 0.312 53.360 53.050 -0.004 0.000 0.830 143 N CB -0.223 38.235 38.487 -0.048 0.000 1.034 143 N HN 0.440 nan 8.380 nan 0.000 0.484 144 S N 0.254 115.985 115.700 0.052 0.000 2.348 144 S HA -0.205 4.265 4.470 0.001 0.000 0.219 144 S C 1.861 176.495 174.600 0.056 0.000 1.033 144 S CA 0.484 58.724 58.200 0.066 0.000 0.974 144 S CB -0.528 62.702 63.200 0.051 0.000 0.868 144 S HN 0.295 nan 8.310 nan 0.000 0.459 145 Q N 1.416 121.245 119.800 0.049 0.000 2.368 145 Q HA -0.035 4.306 4.340 0.001 0.000 0.210 145 Q C 2.073 178.102 176.000 0.049 0.000 0.982 145 Q CA 1.009 56.840 55.803 0.048 0.000 0.884 145 Q CB -0.295 28.465 28.738 0.037 0.000 0.933 145 Q HN 0.336 nan 8.270 nan 0.000 0.460 146 R N 0.125 120.653 120.500 0.047 0.000 2.091 146 R HA -0.084 4.256 4.340 0.001 0.000 0.238 146 R C -0.791 175.543 176.300 0.058 0.000 1.136 146 R CA 1.766 57.893 56.100 0.046 0.000 0.959 146 R CB -1.344 28.980 30.300 0.040 0.000 0.856 146 R HN 0.486 nan 8.270 nan 0.000 0.437 147 P HA 0.235 nan 4.420 nan 0.000 0.298 147 P C 0.815 178.180 177.300 0.109 0.000 1.310 147 P CA 0.016 63.168 63.100 0.087 0.000 0.991 147 P CB 0.519 32.272 31.700 0.089 0.000 1.512 148 R N 0.834 121.395 120.500 0.102 0.000 2.120 148 R HA -0.088 4.252 4.340 0.001 0.000 0.234 148 R C 2.258 178.639 176.300 0.135 0.000 1.123 148 R CA 1.445 57.624 56.100 0.133 0.000 0.975 148 R CB -0.095 30.269 30.300 0.106 0.000 0.866 148 R HN 0.110 nan 8.270 nan 0.000 0.446 149 K N 0.580 121.034 120.400 0.091 0.000 2.137 149 K HA -0.024 4.297 4.320 0.001 0.000 0.202 149 K C 1.999 178.648 176.600 0.081 0.000 1.052 149 K CA 0.494 56.820 56.287 0.065 0.000 0.961 149 K CB 0.025 32.553 32.500 0.046 0.000 0.741 149 K HN 0.075 nan 8.250 nan 0.000 0.452 150 L N 1.054 122.335 121.223 0.097 0.000 2.042 150 L HA -0.213 4.128 4.340 0.001 0.000 0.210 150 L C 2.116 179.075 176.870 0.149 0.000 1.076 150 L CA 1.250 56.156 54.840 0.109 0.000 0.749 150 L CB -0.139 41.982 42.059 0.103 0.000 0.893 150 L HN 0.289 nan 8.230 nan 0.000 0.432 151 L N -1.195 120.149 121.223 0.202 0.000 2.023 151 L HA -0.152 4.188 4.340 0.001 0.000 0.205 151 L C 2.761 179.774 176.870 0.239 0.000 1.073 151 L CA 1.124 56.158 54.840 0.324 0.000 0.745 151 L CB -0.705 41.630 42.059 0.458 0.000 0.900 151 L HN 0.257 nan 8.230 nan 0.000 0.435 152 A N 0.449 123.350 122.820 0.136 0.000 1.972 152 A HA -0.211 4.110 4.320 0.001 0.000 0.219 152 A C 2.071 179.578 177.584 -0.128 0.000 1.169 152 A CA 1.981 53.891 52.037 -0.212 0.000 0.635 152 A CB -0.331 18.449 19.000 -0.367 0.000 0.810 152 A HN 0.679 nan 8.150 nan 0.000 0.446 153 E N -1.885 118.326 120.200 0.019 0.000 2.364 153 E HA 0.158 4.508 4.350 0.001 0.000 0.203 153 E C 1.758 178.500 176.600 0.237 0.000 0.888 153 E CA 0.211 56.684 56.400 0.121 0.000 0.989 153 E CB -0.051 29.704 29.700 0.093 0.000 0.985 153 E HN 0.400 nan 8.360 nan 0.000 0.499 154 K N 0.729 121.234 120.400 0.175 0.000 2.190 154 K HA 0.122 4.442 4.320 0.001 0.000 0.202 154 K C 1.944 178.673 176.600 0.216 0.000 1.045 154 K CA 0.787 57.196 56.287 0.203 0.000 0.976 154 K CB 0.645 33.224 32.500 0.131 0.000 0.849 154 K HN -0.049 nan 8.250 nan 0.000 0.468 155 V N 0.780 120.786 119.914 0.153 0.000 2.878 155 V HA -0.098 4.023 4.120 0.001 0.000 0.250 155 V C 1.925 177.998 176.094 -0.034 0.000 1.075 155 V CA 0.733 63.116 62.300 0.138 0.000 1.096 155 V CB 0.460 32.421 31.823 0.230 0.000 0.724 155 V HN 0.095 nan 8.190 nan 0.000 0.467 156 V N -0.271 119.502 119.914 -0.234 0.000 2.794 156 V HA -0.300 3.820 4.120 0.001 0.000 0.260 156 V C 1.956 177.722 176.094 -0.546 0.000 1.103 156 V CA 2.212 64.104 62.300 -0.680 0.000 1.125 156 V CB -0.459 30.940 31.823 -0.708 0.000 0.702 156 V HN 0.670 nan 8.190 nan 0.000 0.494 157 Y N -1.975 118.300 120.300 -0.041 0.000 2.396 157 Y HA 0.066 4.617 4.550 0.001 0.000 0.292 157 Y C 2.284 178.221 175.900 0.062 0.000 1.128 157 Y CA 1.264 59.439 58.100 0.125 0.000 1.194 157 Y CB -0.190 38.348 38.460 0.129 0.000 1.124 157 Y HN 0.024 nan 8.280 nan 0.000 0.543 158 V N -0.459 119.564 119.914 0.182 0.000 2.515 158 V HA -0.181 3.939 4.120 0.001 0.000 0.250 158 V C 2.236 178.355 176.094 0.041 0.000 1.058 158 V CA 2.112 64.477 62.300 0.108 0.000 1.064 158 V CB -1.048 30.838 31.823 0.104 0.000 0.675 158 V HN 0.579 nan 8.190 nan 0.000 0.461 159 G N -1.489 107.318 108.800 0.011 0.000 2.595 159 G HA2 0.036 3.996 3.960 0.001 0.000 0.213 159 G HA3 0.036 3.996 3.960 0.001 0.000 0.213 159 G C 1.345 176.166 174.900 -0.132 0.000 1.141 159 G CA 1.091 46.202 45.100 0.017 0.000 0.806 159 G HN 0.374 nan 8.290 nan 0.000 0.530 160 V N -1.642 118.114 119.914 -0.263 0.000 3.137 160 V HA 0.196 4.316 4.120 0.001 0.000 0.236 160 V C 2.019 177.891 176.094 -0.370 0.000 1.260 160 V CA 0.298 62.367 62.300 -0.384 0.000 1.244 160 V CB -0.221 31.218 31.823 -0.639 0.000 1.016 160 V HN 0.447 nan 8.190 nan 0.000 0.477 161 W N 0.343 121.603 121.300 -0.067 0.000 2.488 161 W HA 0.136 4.796 4.660 0.000 0.000 0.304 161 W C 2.161 178.716 176.519 0.060 0.000 1.175 161 W CA 0.593 57.956 57.345 0.029 0.000 1.365 161 W CB -0.237 29.286 29.460 0.106 0.000 1.131 161 W HN 0.091 nan 8.180 nan 0.000 0.520 162 I N 1.151 121.883 120.570 0.270 0.000 2.163 162 I HA -0.250 3.921 4.170 0.001 0.000 0.243 162 I C -0.380 175.799 176.117 0.103 0.000 1.085 162 I CA 1.290 62.694 61.300 0.173 0.000 1.347 162 I CB -1.906 36.176 38.000 0.137 0.000 1.044 162 I HN -0.126 nan 8.210 nan 0.000 0.408 163 P HA -0.105 nan 4.420 nan 0.000 0.219 163 P C 1.423 178.736 177.300 0.021 0.000 1.150 163 P CA 1.787 64.876 63.100 -0.018 0.000 0.814 163 P CB 0.030 31.650 31.700 -0.133 0.000 0.787 164 A N 0.172 123.020 122.820 0.047 0.000 1.898 164 A HA -0.106 4.215 4.320 0.001 0.000 0.216 164 A C 2.359 180.059 177.584 0.194 0.000 1.181 164 A CA 1.254 53.373 52.037 0.136 0.000 0.620 164 A CB -1.607 17.453 19.000 0.101 0.000 0.819 164 A HN 0.128 nan 8.150 nan 0.000 0.442 165 L N -1.266 120.081 121.223 0.208 0.000 2.201 165 L HA -0.098 4.242 4.340 0.001 0.000 0.212 165 L C 2.353 179.346 176.870 0.204 0.000 1.105 165 L CA 0.504 55.479 54.840 0.225 0.000 0.775 165 L CB -0.276 41.926 42.059 0.239 0.000 0.913 165 L HN 0.311 nan 8.230 nan 0.000 0.440 166 L N -0.906 120.413 121.223 0.162 0.000 2.156 166 L HA -0.134 4.206 4.340 0.001 0.000 0.208 166 L C 2.149 179.113 176.870 0.158 0.000 1.095 166 L CA 1.337 56.264 54.840 0.144 0.000 0.770 166 L CB -0.245 41.873 42.059 0.097 0.000 0.914 166 L HN 0.145 nan 8.230 nan 0.000 0.439 167 L N -0.979 120.339 121.223 0.159 0.000 2.362 167 L HA -0.157 4.183 4.340 0.001 0.000 0.219 167 L C 2.336 179.330 176.870 0.206 0.000 1.134 167 L CA 1.382 56.333 54.840 0.185 0.000 0.807 167 L CB -0.684 41.500 42.059 0.209 0.000 0.927 167 L HN 0.452 nan 8.230 nan 0.000 0.447 168 T N -3.433 111.234 114.554 0.189 0.000 3.055 168 T HA -0.052 4.298 4.350 0.001 0.000 0.265 168 T C 1.760 176.529 174.700 0.116 0.000 1.111 168 T CA 0.282 62.450 62.100 0.113 0.000 1.118 168 T CB -0.361 68.549 68.868 0.071 0.000 0.909 168 T HN 0.199 nan 8.240 nan 0.000 0.501 169 I N 2.283 122.997 120.570 0.239 0.000 2.143 169 I HA -0.174 3.997 4.170 0.001 0.000 0.245 169 I C -0.565 175.652 176.117 0.168 0.000 1.068 169 I CA 1.698 63.168 61.300 0.284 0.000 1.326 169 I CB -1.105 37.027 38.000 0.220 0.000 1.028 169 I HN 0.289 nan 8.210 nan 0.000 0.412 170 P HA -0.130 nan 4.420 nan 0.000 0.220 170 P C 0.937 178.250 177.300 0.022 0.000 1.148 170 P CA 1.359 64.508 63.100 0.081 0.000 0.803 170 P CB -0.119 31.533 31.700 -0.079 0.000 0.782 171 D N -1.086 119.282 120.400 -0.054 0.000 2.144 171 D HA -0.122 4.519 4.640 0.001 0.000 0.199 171 D C 1.829 177.998 176.300 -0.219 0.000 0.984 171 D CA 1.096 55.001 54.000 -0.158 0.000 0.834 171 D CB -0.586 40.089 40.800 -0.208 0.000 0.955 171 D HN 0.252 nan 8.370 nan 0.000 0.465 172 F N 0.924 120.833 119.950 -0.069 0.000 2.186 172 F HA -0.062 4.465 4.527 0.001 0.000 0.299 172 F C 2.426 178.132 175.800 -0.158 0.000 1.090 172 F CA 0.509 58.461 58.000 -0.080 0.000 1.307 172 F CB -0.151 38.826 39.000 -0.038 0.000 1.019 172 F HN -0.109 nan 8.300 nan 0.000 0.489 173 I N -1.358 119.137 120.570 -0.125 0.000 2.235 173 I HA -0.215 3.956 4.170 0.001 0.000 0.241 173 I C 1.819 177.654 176.117 -0.471 0.000 1.085 173 I CA 1.390 62.433 61.300 -0.429 0.000 1.378 173 I CB -0.572 36.931 38.000 -0.828 0.000 1.076 173 I HN -0.023 nan 8.210 nan 0.000 0.415 174 F N 1.280 121.191 119.950 -0.064 0.000 2.317 174 F HA 0.274 4.802 4.527 0.000 0.000 0.293 174 F C 1.703 177.359 175.800 -0.241 0.000 1.085 174 F CA -0.126 57.783 58.000 -0.152 0.000 1.390 174 F CB -0.446 38.468 39.000 -0.142 0.000 1.077 174 F HN -0.143 nan 8.300 nan 0.000 0.517 175 A N 1.670 124.382 122.820 -0.181 0.000 2.491 175 A HA 0.277 4.598 4.320 0.001 0.000 0.261 175 A C -0.140 177.306 177.584 -0.230 0.000 1.101 175 A CA 0.148 51.938 52.037 -0.413 0.000 0.772 175 A CB -0.407 18.144 19.000 -0.748 0.000 1.043 175 A HN 0.384 nan 8.150 nan 0.000 0.501 176 N N 1.052 119.664 118.700 -0.146 0.000 2.484 176 N HA 0.329 5.070 4.740 0.001 0.000 0.269 176 N C -1.404 174.092 175.510 -0.023 0.000 1.237 176 N CA -0.501 52.523 53.050 -0.042 0.000 0.838 176 N CB 2.208 40.700 38.487 0.008 0.000 1.593 176 N HN 0.295 nan 8.380 nan 0.000 0.485 177 V N 1.398 121.298 119.914 -0.023 0.000 2.498 177 V HA 0.490 4.610 4.120 0.001 0.000 0.279 177 V C 0.438 176.497 176.094 -0.060 0.000 1.048 177 V CA -0.140 62.160 62.300 0.000 0.000 0.967 177 V CB 0.892 32.818 31.823 0.171 0.000 0.988 177 V HN 0.826 nan 8.190 nan 0.000 0.473 178 S N 2.382 118.010 115.700 -0.119 0.000 2.556 178 S HA 0.513 4.983 4.470 0.001 0.000 0.271 178 S C -0.832 173.583 174.600 -0.309 0.000 1.135 178 S CA -0.955 57.081 58.200 -0.272 0.000 0.858 178 S CB 1.853 64.779 63.200 -0.456 0.000 1.114 178 S HN 0.678 nan 8.310 nan 0.000 0.468 179 E N 1.310 121.278 120.200 -0.387 0.000 1.861 179 E HA 0.485 4.835 4.350 0.001 0.000 0.263 179 E C 0.354 176.831 176.600 -0.205 0.000 1.137 179 E CA -0.367 55.795 56.400 -0.397 0.000 0.944 179 E CB 0.261 29.714 29.700 -0.412 0.000 1.092 179 E HN 0.760 nan 8.360 nan 0.000 0.420 180 A N 3.246 125.991 122.820 -0.125 0.000 2.466 180 A HA 0.214 4.534 4.320 0.001 0.000 0.238 180 A C 0.452 178.006 177.584 -0.051 0.000 1.074 180 A CA 0.288 52.291 52.037 -0.056 0.000 0.774 180 A CB 0.033 19.028 19.000 -0.008 0.000 1.015 180 A HN 0.736 nan 8.150 nan 0.000 0.498 181 D N 0.931 121.311 120.400 -0.033 0.000 2.570 181 D HA 0.330 4.970 4.640 0.001 0.000 0.243 181 D C 0.550 176.846 176.300 -0.006 0.000 1.171 181 D CA 0.794 54.781 54.000 -0.023 0.000 0.879 181 D CB -0.229 40.564 40.800 -0.012 0.000 1.143 181 D HN 0.718 nan 8.370 nan 0.000 0.511 182 D N -0.863 119.537 120.400 -0.000 0.000 2.946 182 D HA -0.203 4.438 4.640 0.001 0.000 0.202 182 D C 0.540 176.871 176.300 0.051 0.000 1.068 182 D CA 1.958 55.973 54.000 0.025 0.000 1.011 182 D CB -0.730 40.082 40.800 0.020 0.000 1.105 182 D HN 1.151 nan 8.370 nan 0.000 0.425 183 R N -1.577 118.957 120.500 0.056 0.000 2.692 183 R HA 0.471 4.811 4.340 0.001 0.000 0.269 183 R C -1.494 174.891 176.300 0.142 0.000 1.030 183 R CA -0.864 55.301 56.100 0.109 0.000 0.882 183 R CB 0.401 30.734 30.300 0.054 0.000 1.250 183 R HN -0.162 nan 8.270 nan 0.000 0.465 184 Y N 1.817 122.083 120.300 -0.058 0.000 2.477 184 Y HA 0.398 4.948 4.550 0.000 0.000 0.349 184 Y C 0.279 176.171 175.900 -0.013 0.000 0.977 184 Y CA -0.838 57.245 58.100 -0.028 0.000 1.214 184 Y CB 0.731 39.184 38.460 -0.012 0.000 1.124 184 Y HN 0.393 nan 8.280 nan 0.000 0.521 185 I N 3.648 124.249 120.570 0.051 0.000 2.395 185 I HA 0.159 4.329 4.170 0.001 0.000 0.289 185 I C -0.330 175.755 176.117 -0.053 0.000 1.023 185 I CA -0.297 61.006 61.300 0.006 0.000 1.350 185 I CB 0.603 38.622 38.000 0.031 0.000 1.409 185 I HN 0.637 nan 8.210 nan 0.000 0.507 186 c N 8.244 126.682 118.600 -0.269 0.000 2.386 186 c HA 0.678 5.248 4.570 0.001 0.000 0.318 186 c C -0.978 172.827 174.090 -0.474 0.000 1.128 186 c CA -0.230 55.800 56.329 -0.497 0.000 1.438 186 c CB -0.861 40.873 42.510 -1.295 0.000 1.987 186 c HN 0.893 nan 8.230 nan 0.000 0.426 187 D N 3.499 123.658 120.400 -0.401 0.000 2.692 187 D HA 0.234 4.875 4.640 0.001 0.000 0.290 187 D C -1.158 174.731 176.300 -0.684 0.000 1.281 187 D CA -0.708 52.992 54.000 -0.501 0.000 0.804 187 D CB 0.639 41.172 40.800 -0.444 0.000 1.331 187 D HN 0.594 nan 8.370 nan 0.000 0.432 188 R N -0.025 120.086 120.500 -0.648 0.000 2.480 188 R HA 0.295 4.636 4.340 0.001 0.000 0.303 188 R C -0.725 174.945 176.300 -1.050 0.000 0.985 188 R CA 0.389 56.089 56.100 -0.666 0.000 1.051 188 R CB -0.120 29.898 30.300 -0.469 0.000 0.935 188 R HN 0.173 nan 8.270 nan 0.000 0.410 189 F N 3.426 123.020 119.950 -0.593 0.000 2.449 189 F HA 0.349 4.877 4.527 0.001 0.000 0.342 189 F C -0.252 175.274 175.800 -0.456 0.000 1.127 189 F CA -0.679 57.021 58.000 -0.501 0.000 0.975 189 F CB 0.881 39.733 39.000 -0.246 0.000 1.146 189 F HN 0.360 nan 8.300 nan 0.000 0.444 190 Y N 2.720 122.994 120.300 -0.043 0.000 2.534 190 Y HA 0.426 4.977 4.550 0.000 0.000 0.329 190 Y C -1.337 174.490 175.900 -0.121 0.000 1.154 190 Y CA -2.117 55.776 58.100 -0.344 0.000 1.192 190 Y CB 0.172 38.289 38.460 -0.570 0.000 1.275 190 Y HN 0.375 nan 8.280 nan 0.000 0.491 191 P HA -0.083 nan 4.420 nan 0.000 0.217 191 P C -0.984 176.436 177.300 0.199 0.000 1.150 191 P CA 1.382 64.565 63.100 0.138 0.000 0.832 191 P CB 0.141 31.959 31.700 0.197 0.000 0.787 192 N N -2.399 116.482 118.700 0.300 0.000 2.647 192 N HA 0.118 4.858 4.740 0.001 0.000 0.266 192 N C -0.057 175.616 175.510 0.273 0.000 1.373 192 N CA -0.808 52.398 53.050 0.261 0.000 0.807 192 N CB 0.155 38.773 38.487 0.218 0.000 1.513 192 N HN -0.243 nan 8.380 nan 0.000 0.505 193 D N 0.026 120.535 120.400 0.181 0.000 2.371 193 D HA -0.090 4.550 4.640 0.001 0.000 0.221 193 D C 1.099 177.454 176.300 0.092 0.000 0.986 193 D CA 0.485 54.575 54.000 0.150 0.000 0.899 193 D CB -0.026 40.843 40.800 0.114 0.000 0.902 193 D HN 0.508 nan 8.370 nan 0.000 0.530 194 L N -1.053 120.204 121.223 0.056 0.000 2.093 194 L HA -0.049 4.292 4.340 0.001 0.000 0.208 194 L C 2.285 179.056 176.870 -0.165 0.000 1.085 194 L CA 0.896 55.698 54.840 -0.063 0.000 0.755 194 L CB -0.560 41.424 42.059 -0.126 0.000 0.904 194 L HN 0.030 nan 8.230 nan 0.000 0.435 195 W N -0.408 120.717 121.300 -0.291 0.000 2.350 195 W HA -0.167 4.493 4.660 0.000 0.000 0.289 195 W C 2.408 178.536 176.519 -0.652 0.000 1.215 195 W CA 0.927 57.910 57.345 -0.604 0.000 1.236 195 W CB -0.551 28.415 29.460 -0.824 0.000 1.130 195 W HN -0.118 nan 8.180 nan 0.000 0.541 196 V N -0.490 119.334 119.914 -0.150 0.000 2.332 196 V HA -0.314 3.806 4.120 0.001 0.000 0.248 196 V C 1.868 177.984 176.094 0.037 0.000 1.055 196 V CA 1.669 63.974 62.300 0.007 0.000 1.038 196 V CB -1.325 30.576 31.823 0.130 0.000 0.651 196 V HN 0.054 nan 8.190 nan 0.000 0.450 197 V N -0.097 119.812 119.914 -0.010 0.000 2.379 197 V HA -0.170 3.950 4.120 0.001 0.000 0.245 197 V C 2.432 178.531 176.094 0.008 0.000 1.044 197 V CA 1.717 64.029 62.300 0.021 0.000 1.036 197 V CB -0.351 31.477 31.823 0.010 0.000 0.664 197 V HN 0.439 nan 8.190 nan 0.000 0.453 198 V N -0.821 118.975 119.914 -0.197 0.000 2.490 198 V HA -0.208 3.913 4.120 0.001 0.000 0.250 198 V C 2.070 178.005 176.094 -0.266 0.000 1.061 198 V CA 1.909 63.992 62.300 -0.362 0.000 1.064 198 V CB -0.796 30.574 31.823 -0.755 0.000 0.670 198 V HN 0.477 nan 8.190 nan 0.000 0.461 199 F N -0.638 119.346 119.950 0.058 0.000 2.714 199 F HA 0.191 4.718 4.527 0.000 0.000 0.294 199 F C 2.241 178.172 175.800 0.218 0.000 1.120 199 F CA 0.245 58.331 58.000 0.145 0.000 1.398 199 F CB -0.309 38.764 39.000 0.122 0.000 1.120 199 F HN 0.118 nan 8.300 nan 0.000 0.589 200 Q N -0.114 119.883 119.800 0.329 0.000 2.123 200 Q HA -0.039 4.301 4.340 0.001 0.000 0.196 200 Q C 2.174 178.374 176.000 0.333 0.000 0.958 200 Q CA 1.428 57.417 55.803 0.311 0.000 0.841 200 Q CB -0.618 28.237 28.738 0.194 0.000 0.915 200 Q HN 0.436 nan 8.270 nan 0.000 0.455 201 F N 0.422 120.444 119.950 0.120 0.000 2.134 201 F HA -0.235 4.292 4.527 0.000 0.000 0.299 201 F C 2.402 178.255 175.800 0.088 0.000 1.097 201 F CA 1.300 59.340 58.000 0.068 0.000 1.264 201 F CB 0.124 39.129 39.000 0.008 0.000 1.001 201 F HN 0.225 nan 8.300 nan 0.000 0.479 202 Q N -0.162 119.854 119.800 0.359 0.000 2.084 202 Q HA -0.312 4.029 4.340 0.001 0.000 0.202 202 Q C 2.273 178.438 176.000 0.274 0.000 0.978 202 Q CA 1.856 57.810 55.803 0.252 0.000 0.844 202 Q CB -0.658 28.258 28.738 0.296 0.000 0.898 202 Q HN 0.609 nan 8.270 nan 0.000 0.426 203 H N 0.147 119.406 119.070 0.317 0.000 2.321 203 H HA -0.118 4.439 4.556 0.001 0.000 0.300 203 H C 2.049 177.546 175.328 0.281 0.000 1.087 203 H CA 1.717 57.994 56.048 0.382 0.000 1.319 203 H CB -0.099 29.889 29.762 0.378 0.000 1.379 203 H HN 0.289 nan 8.280 nan 0.000 0.501 204 I N 0.269 120.846 120.570 0.012 0.000 2.286 204 I HA -0.275 3.895 4.170 0.001 0.000 0.248 204 I C 2.762 178.856 176.117 -0.037 0.000 1.115 204 I CA 0.969 62.205 61.300 -0.106 0.000 1.392 204 I CB -0.213 37.761 38.000 -0.044 0.000 1.065 204 I HN 0.253 nan 8.210 nan 0.000 0.418 205 M N 0.424 120.081 119.600 0.094 0.000 2.062 205 M HA -0.136 4.345 4.480 0.001 0.000 0.259 205 M C 2.176 178.516 176.300 0.066 0.000 1.076 205 M CA 1.967 57.322 55.300 0.092 0.000 1.122 205 M CB -0.327 32.339 32.600 0.110 0.000 1.312 205 M HN 0.008 nan 8.290 nan 0.000 0.412 206 V N -0.750 119.182 119.914 0.029 0.000 2.667 206 V HA -0.035 4.085 4.120 0.001 0.000 0.252 206 V C 2.297 178.525 176.094 0.224 0.000 1.065 206 V CA 1.670 64.010 62.300 0.068 0.000 1.083 206 V CB -1.783 29.836 31.823 -0.341 0.000 0.692 206 V HN 0.664 nan 8.190 nan 0.000 0.468 207 G N -0.502 108.374 108.800 0.127 0.000 2.441 207 G HA2 -0.018 3.942 3.960 0.001 0.000 0.212 207 G HA3 -0.018 3.942 3.960 0.001 0.000 0.212 207 G C 1.398 176.286 174.900 -0.020 0.000 1.164 207 G CA 1.120 46.310 45.100 0.150 0.000 0.811 207 G HN 0.448 nan 8.290 nan 0.000 0.535 208 L N -1.188 119.973 121.223 -0.104 0.000 2.758 208 L HA 0.519 4.859 4.340 0.001 0.000 0.234 208 L C 2.183 178.944 176.870 -0.181 0.000 1.049 208 L CA 0.438 55.202 54.840 -0.127 0.000 0.908 208 L CB 0.020 41.897 42.059 -0.303 0.000 1.362 208 L HN 0.103 nan 8.230 nan 0.000 0.499 209 I N -0.458 120.028 120.570 -0.141 0.000 2.206 209 I HA -0.188 3.983 4.170 0.001 0.000 0.239 209 I C 2.140 178.195 176.117 -0.102 0.000 1.078 209 I CA 1.350 62.579 61.300 -0.117 0.000 1.367 209 I CB -0.170 37.794 38.000 -0.060 0.000 1.078 209 I HN 0.182 nan 8.210 nan 0.000 0.413 210 L N 1.003 122.203 121.223 -0.038 0.000 1.994 210 L HA -0.124 4.216 4.340 0.001 0.000 0.208 210 L C -0.306 176.426 176.870 -0.229 0.000 1.071 210 L CA 1.473 56.320 54.840 0.012 0.000 0.745 210 L CB -2.046 40.170 42.059 0.262 0.000 0.892 210 L HN 0.216 nan 8.230 nan 0.000 0.431 211 P HA -0.121 nan 4.420 nan 0.000 0.219 211 P C 1.602 178.655 177.300 -0.412 0.000 1.150 211 P CA 1.857 64.418 63.100 -0.899 0.000 0.814 211 P CB -0.159 30.898 31.700 -1.071 0.000 0.787 212 G N 0.460 109.080 108.800 -0.299 0.000 2.422 212 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 212 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 212 G C 1.652 176.419 174.900 -0.222 0.000 1.146 212 G CA 0.519 45.442 45.100 -0.296 0.000 0.769 212 G HN 0.239 nan 8.290 nan 0.000 0.547 213 I N 0.348 120.808 120.570 -0.184 0.000 2.202 213 I HA -0.155 4.015 4.170 0.001 0.000 0.242 213 I C 2.806 178.836 176.117 -0.146 0.000 1.091 213 I CA 0.562 61.779 61.300 -0.137 0.000 1.368 213 I CB -0.336 37.606 38.000 -0.098 0.000 1.058 213 I HN 0.031 nan 8.210 nan 0.000 0.410 214 V N 1.233 121.043 119.914 -0.173 0.000 2.255 214 V HA -0.309 3.812 4.120 0.001 0.000 0.247 214 V C 2.322 178.307 176.094 -0.182 0.000 1.051 214 V CA 2.096 64.284 62.300 -0.188 0.000 1.018 214 V CB -0.589 31.114 31.823 -0.200 0.000 0.641 214 V HN 0.318 nan 8.190 nan 0.000 0.445 215 I N -0.537 119.945 120.570 -0.147 0.000 2.127 215 I HA -0.272 3.899 4.170 0.001 0.000 0.241 215 I C 2.384 178.519 176.117 0.031 0.000 1.075 215 I CA 1.742 63.027 61.300 -0.025 0.000 1.334 215 I CB -0.370 37.659 38.000 0.049 0.000 1.040 215 I HN 0.222 nan 8.210 nan 0.000 0.405 216 L N -0.114 121.086 121.223 -0.038 0.000 2.191 216 L HA -0.187 4.153 4.340 0.001 0.000 0.212 216 L C 2.584 179.430 176.870 -0.040 0.000 1.103 216 L CA 0.986 55.811 54.840 -0.025 0.000 0.769 216 L CB -0.321 41.692 42.059 -0.076 0.000 0.908 216 L HN 0.207 nan 8.230 nan 0.000 0.438 217 S N -1.244 114.397 115.700 -0.098 0.000 2.345 217 S HA -0.177 4.293 4.470 0.001 0.000 0.219 217 S C 2.129 176.627 174.600 -0.169 0.000 1.031 217 S CA 1.289 59.407 58.200 -0.136 0.000 0.984 217 S CB -0.427 62.663 63.200 -0.184 0.000 0.874 217 S HN 0.475 nan 8.310 nan 0.000 0.451 218 C N 0.777 119.933 119.300 -0.241 0.000 2.388 218 C HA -0.144 4.316 4.460 0.001 0.000 0.277 218 C C 2.404 177.232 174.990 -0.271 0.000 1.210 218 C CA 0.722 59.545 59.018 -0.325 0.000 1.743 218 C CB -1.579 25.909 27.740 -0.419 0.000 2.047 218 C HN 0.629 nan 8.230 nan 0.000 0.458 219 Y N -0.653 119.622 120.300 -0.042 0.000 2.352 219 Y HA -0.169 4.381 4.550 0.000 0.000 0.292 219 Y C 2.792 178.682 175.900 -0.017 0.000 1.136 219 Y CA 1.285 59.375 58.100 -0.017 0.000 1.227 219 Y CB -0.553 37.898 38.460 -0.015 0.000 0.991 219 Y HN 0.491 nan 8.280 nan 0.000 0.545 220 C N 0.085 119.428 119.300 0.072 0.000 2.440 220 C HA -0.129 4.331 4.460 0.001 0.000 0.278 220 C C 2.499 177.501 174.990 0.019 0.000 1.295 220 C CA 0.916 59.953 59.018 0.032 0.000 1.738 220 C CB -1.278 26.459 27.740 -0.004 0.000 1.987 220 C HN 0.545 nan 8.230 nan 0.000 0.492 221 I N 0.517 121.087 120.570 -0.000 0.000 2.286 221 I HA -0.114 4.056 4.170 0.001 0.000 0.245 221 I C 2.307 178.450 176.117 0.042 0.000 1.104 221 I CA 1.510 62.823 61.300 0.022 0.000 1.397 221 I CB -0.384 37.639 38.000 0.038 0.000 1.072 221 I HN 0.271 nan 8.210 nan 0.000 0.417 222 I N 1.070 121.663 120.570 0.038 0.000 2.142 222 I HA -0.294 3.876 4.170 0.001 0.000 0.240 222 I C 2.594 178.751 176.117 0.066 0.000 1.078 222 I CA 1.835 63.165 61.300 0.050 0.000 1.343 222 I CB -0.468 37.558 38.000 0.044 0.000 1.046 222 I HN 0.253 nan 8.210 nan 0.000 0.405 223 I N -0.123 120.497 120.570 0.083 0.000 2.226 223 I HA -0.247 3.923 4.170 0.001 0.000 0.245 223 I C 2.629 178.768 176.117 0.036 0.000 1.100 223 I CA 2.082 63.419 61.300 0.062 0.000 1.374 223 I CB -1.077 36.961 38.000 0.063 0.000 1.057 223 I HN 0.247 nan 8.210 nan 0.000 0.413 224 S N 0.500 116.218 115.700 0.030 0.000 2.387 224 S HA -0.099 4.371 4.470 0.001 0.000 0.226 224 S C 2.000 176.610 174.600 0.015 0.000 1.026 224 S CA 0.909 59.120 58.200 0.019 0.000 0.972 224 S CB -0.681 62.527 63.200 0.015 0.000 0.814 224 S HN 0.566 nan 8.310 nan 0.000 0.477 225 K N 0.200 120.613 120.400 0.021 0.000 2.487 225 K HA 0.352 4.672 4.320 0.001 0.000 0.192 225 K C -0.010 176.595 176.600 0.009 0.000 1.027 225 K CA -0.097 56.199 56.287 0.015 0.000 1.054 225 K CB -0.002 32.513 32.500 0.024 0.000 0.824 225 K HN 0.344 nan 8.250 nan 0.000 0.510 236 K N 0.943 121.368 120.400 0.042 0.000 2.097 236 K HA 0.060 4.380 4.320 0.001 0.000 0.205 236 K C 1.720 178.357 176.600 0.061 0.000 1.050 236 K CA 1.468 57.782 56.287 0.045 0.000 0.938 236 K CB 0.023 32.554 32.500 0.051 0.000 0.718 236 K HN 0.254 nan 8.250 nan 0.000 0.442 237 A N 1.139 124.015 122.820 0.094 0.000 1.930 237 A HA -0.129 4.191 4.320 0.001 0.000 0.217 237 A C 1.987 179.630 177.584 0.099 0.000 1.175 237 A CA 1.069 53.170 52.037 0.108 0.000 0.627 237 A CB -0.455 18.638 19.000 0.154 0.000 0.815 237 A HN 0.367 nan 8.150 nan 0.000 0.443 238 L N -0.182 121.102 121.223 0.101 0.000 2.093 238 L HA -0.066 4.274 4.340 0.001 0.000 0.208 238 L C 2.220 179.135 176.870 0.076 0.000 1.085 238 L CA 2.492 57.403 54.840 0.119 0.000 0.755 238 L CB -0.429 41.701 42.059 0.118 0.000 0.904 238 L HN 0.407 nan 8.230 nan 0.000 0.435 239 K N -1.310 119.114 120.400 0.040 0.000 2.057 239 K HA -0.143 4.177 4.320 0.001 0.000 0.206 239 K C 1.856 178.453 176.600 -0.005 0.000 1.050 239 K CA 1.770 58.061 56.287 0.006 0.000 0.935 239 K CB -0.153 32.349 32.500 0.002 0.000 0.715 239 K HN 0.402 nan 8.250 nan 0.000 0.439 240 T N -0.113 114.445 114.554 0.007 0.000 2.684 240 T HA -0.174 4.177 4.350 0.001 0.000 0.267 240 T C 1.882 176.572 174.700 -0.016 0.000 1.036 240 T CA 2.018 64.111 62.100 -0.012 0.000 1.148 240 T CB -0.495 68.363 68.868 -0.017 0.000 0.863 240 T HN 0.407 nan 8.240 nan 0.000 0.436 241 T N 1.089 115.651 114.554 0.015 0.000 2.857 241 T HA -0.055 4.296 4.350 0.001 0.000 0.266 241 T C 2.046 176.727 174.700 -0.031 0.000 1.048 241 T CA 0.911 63.028 62.100 0.029 0.000 1.139 241 T CB -0.530 68.403 68.868 0.107 0.000 0.874 241 T HN 0.134 nan 8.240 nan 0.000 0.455 242 V N 2.331 122.182 119.914 -0.105 0.000 2.255 242 V HA -0.131 3.989 4.120 0.001 0.000 0.247 242 V C 2.547 178.567 176.094 -0.125 0.000 1.051 242 V CA 2.125 64.268 62.300 -0.260 0.000 1.018 242 V CB -0.711 30.954 31.823 -0.263 0.000 0.641 242 V HN 0.790 nan 8.190 nan 0.000 0.445 243 I N -1.392 119.143 120.570 -0.058 0.000 2.676 243 I HA -0.111 4.059 4.170 0.001 0.000 0.259 243 I C 2.061 178.187 176.117 0.014 0.000 1.194 243 I CA 1.535 62.825 61.300 -0.016 0.000 1.473 243 I CB -0.386 37.609 38.000 -0.008 0.000 1.096 243 I HN 0.261 nan 8.210 nan 0.000 0.443 244 L N 0.977 122.202 121.223 0.003 0.000 2.068 244 L HA 0.082 4.422 4.340 0.001 0.000 0.204 244 L C 2.284 179.193 176.870 0.064 0.000 1.076 244 L CA 1.772 56.626 54.840 0.024 0.000 0.753 244 L CB -0.508 41.546 42.059 -0.009 0.000 0.910 244 L HN 0.258 nan 8.230 nan 0.000 0.439 245 I N -0.972 119.624 120.570 0.044 0.000 2.252 245 I HA -0.280 3.890 4.170 0.001 0.000 0.245 245 I C 2.382 178.643 176.117 0.240 0.000 1.102 245 I CA 1.170 62.538 61.300 0.114 0.000 1.385 245 I CB -0.342 37.717 38.000 0.098 0.000 1.064 245 I HN 0.227 nan 8.210 nan 0.000 0.414 246 L N 0.454 121.761 121.223 0.141 0.000 2.083 246 L HA -0.197 4.143 4.340 0.001 0.000 0.209 246 L C 2.699 179.676 176.870 0.179 0.000 1.083 246 L CA 1.468 56.403 54.840 0.159 0.000 0.752 246 L CB -0.461 41.634 42.059 0.060 0.000 0.899 246 L HN 0.252 nan 8.230 nan 0.000 0.433 247 A N -1.099 121.809 122.820 0.146 0.000 1.968 247 A HA -0.208 4.113 4.320 0.001 0.000 0.217 247 A C 2.090 179.767 177.584 0.154 0.000 1.169 247 A CA 0.872 52.994 52.037 0.142 0.000 0.638 247 A CB -0.677 18.402 19.000 0.133 0.000 0.812 247 A HN 0.409 nan 8.150 nan 0.000 0.446 248 F N -0.224 119.728 119.950 0.003 0.000 2.102 248 F HA -0.129 4.398 4.527 0.000 0.000 0.298 248 F C 1.666 177.405 175.800 -0.102 0.000 1.105 248 F CA 1.678 59.617 58.000 -0.102 0.000 1.239 248 F CB -0.271 38.552 39.000 -0.295 0.000 0.991 248 F HN 0.214 nan 8.300 nan 0.000 0.474 249 F N 0.096 120.170 119.950 0.206 0.000 2.558 249 F HA 0.107 4.634 4.527 0.000 0.000 0.298 249 F C 2.369 178.202 175.800 0.055 0.000 1.119 249 F CA 0.686 58.777 58.000 0.150 0.000 1.451 249 F CB -1.243 37.903 39.000 0.243 0.000 1.091 249 F HN 0.064 nan 8.300 nan 0.000 0.563 250 A N -0.827 122.089 122.820 0.160 0.000 1.897 250 A HA -0.152 4.168 4.320 0.001 0.000 0.215 250 A C 2.256 179.824 177.584 -0.026 0.000 1.181 250 A CA 1.629 53.714 52.037 0.079 0.000 0.620 250 A CB -1.389 17.659 19.000 0.080 0.000 0.821 250 A HN 0.432 nan 8.150 nan 0.000 0.443 251 C N -2.741 116.494 119.300 -0.107 0.000 2.429 251 C HA -0.147 4.313 4.460 0.001 0.000 0.277 251 C C 2.338 177.054 174.990 -0.456 0.000 1.262 251 C CA 0.523 59.386 59.018 -0.259 0.000 1.733 251 C CB -1.826 25.741 27.740 -0.290 0.000 2.010 251 C HN 0.831 nan 8.230 nan 0.000 0.483 252 W N 0.260 121.307 121.300 -0.421 0.000 2.905 252 W HA 0.158 4.818 4.660 0.000 0.000 0.251 252 W C 2.230 178.250 176.519 -0.832 0.000 1.305 252 W CA -0.179 56.767 57.345 -0.665 0.000 1.465 252 W CB -0.381 28.540 29.460 -0.897 0.000 1.122 252 W HN 0.207 nan 8.180 nan 0.000 0.659 253 L N 1.925 123.019 121.223 -0.215 0.000 2.017 253 L HA -0.091 4.249 4.340 0.001 0.000 0.208 253 L C -0.658 176.226 176.870 0.023 0.000 1.073 253 L CA 2.166 56.996 54.840 -0.016 0.000 0.745 253 L CB -1.659 40.461 42.059 0.102 0.000 0.894 253 L HN -0.242 nan 8.230 nan 0.000 0.432 254 P HA -0.188 nan 4.420 nan 0.000 0.220 254 P C 1.130 178.484 177.300 0.090 0.000 1.148 254 P CA 1.303 64.426 63.100 0.039 0.000 0.803 254 P CB -0.227 31.478 31.700 0.009 0.000 0.782 255 Y N -0.862 119.416 120.300 -0.037 0.000 2.220 255 Y HA -0.216 4.334 4.550 0.000 0.000 0.291 255 Y C 2.092 178.111 175.900 0.198 0.000 1.129 255 Y CA 1.443 59.584 58.100 0.068 0.000 1.161 255 Y CB -0.885 37.650 38.460 0.125 0.000 0.997 255 Y HN -0.151 nan 8.280 nan 0.000 0.522 256 Y N 0.176 120.586 120.300 0.183 0.000 2.114 256 Y HA -0.290 4.261 4.550 0.000 0.000 0.282 256 Y C 2.469 178.329 175.900 -0.068 0.000 1.165 256 Y CA 1.434 59.567 58.100 0.054 0.000 1.148 256 Y CB -1.297 37.231 38.460 0.114 0.000 0.972 256 Y HN 0.146 nan 8.280 nan 0.000 0.504 257 I N -0.434 120.213 120.570 0.128 0.000 2.163 257 I HA -0.285 3.886 4.170 0.001 0.000 0.243 257 I C 2.700 178.781 176.117 -0.059 0.000 1.085 257 I CA 1.609 62.924 61.300 0.024 0.000 1.347 257 I CB -0.990 37.035 38.000 0.041 0.000 1.044 257 I HN 0.243 nan 8.210 nan 0.000 0.408 258 G N 1.413 110.169 108.800 -0.074 0.000 2.480 258 G HA2 -0.211 3.750 3.960 0.001 0.000 0.216 258 G HA3 -0.211 3.750 3.960 0.001 0.000 0.216 258 G C 1.566 176.362 174.900 -0.174 0.000 1.200 258 G CA 0.647 45.678 45.100 -0.115 0.000 0.782 258 G HN 0.186 nan 8.290 nan 0.000 0.554 259 I N 1.692 122.112 120.570 -0.251 0.000 2.208 259 I HA -0.145 4.025 4.170 0.001 0.000 0.245 259 I C 2.939 178.933 176.117 -0.206 0.000 1.097 259 I CA 1.354 62.528 61.300 -0.210 0.000 1.363 259 I CB -1.345 36.521 38.000 -0.224 0.000 1.051 259 I HN 0.107 nan 8.210 nan 0.000 0.413 260 S N 0.917 116.467 115.700 -0.250 0.000 2.400 260 S HA -0.133 4.337 4.470 0.001 0.000 0.232 260 S C 2.064 176.238 174.600 -0.711 0.000 1.025 260 S CA 1.223 59.151 58.200 -0.453 0.000 0.993 260 S CB -0.314 62.669 63.200 -0.362 0.000 0.808 260 S HN 0.398 nan 8.310 nan 0.000 0.478 261 I N 1.720 122.057 120.570 -0.387 0.000 2.286 261 I HA -0.149 4.022 4.170 0.001 0.000 0.245 261 I C 1.904 177.943 176.117 -0.131 0.000 1.104 261 I CA 1.049 62.213 61.300 -0.227 0.000 1.397 261 I CB -0.368 37.581 38.000 -0.085 0.000 1.072 261 I HN 0.195 nan 8.210 nan 0.000 0.417 262 D N 0.536 120.859 120.400 -0.129 0.000 2.178 262 D HA -0.120 4.520 4.640 0.001 0.000 0.202 262 D C 2.285 178.581 176.300 -0.006 0.000 0.974 262 D CA 1.202 55.184 54.000 -0.030 0.000 0.841 262 D CB -0.122 40.694 40.800 0.028 0.000 0.953 262 D HN 0.246 nan 8.370 nan 0.000 0.478 263 S N 0.723 116.360 115.700 -0.105 0.000 2.368 263 S HA -0.121 4.349 4.470 0.001 0.000 0.225 263 S C 1.710 176.364 174.600 0.091 0.000 1.030 263 S CA 0.741 58.900 58.200 -0.069 0.000 0.999 263 S CB -0.263 62.816 63.200 -0.201 0.000 0.844 263 S HN 0.175 nan 8.310 nan 0.000 0.459 264 F N 1.187 121.141 119.950 0.006 0.000 2.293 264 F HA 0.137 4.664 4.527 0.000 0.000 0.300 264 F C 1.948 177.766 175.800 0.029 0.000 1.086 264 F CA -0.485 57.522 58.000 0.011 0.000 1.375 264 F CB -1.085 37.924 39.000 0.015 0.000 1.045 264 F HN 0.167 nan 8.300 nan 0.000 0.516 265 I N -0.346 120.347 120.570 0.205 0.000 2.133 265 I HA -0.287 3.884 4.170 0.001 0.000 0.238 265 I C 2.303 178.495 176.117 0.124 0.000 1.074 265 I CA 1.217 62.607 61.300 0.151 0.000 1.342 265 I CB -0.538 37.535 38.000 0.122 0.000 1.053 265 I HN 0.005 nan 8.210 nan 0.000 0.404 266 L N -0.009 121.281 121.223 0.112 0.000 2.056 266 L HA -0.179 4.161 4.340 0.001 0.000 0.207 266 L C 2.171 179.090 176.870 0.083 0.000 1.078 266 L CA 1.218 56.115 54.840 0.094 0.000 0.749 266 L CB -0.491 41.619 42.059 0.086 0.000 0.901 266 L HN 0.260 nan 8.230 nan 0.000 0.433 267 L N -0.432 120.848 121.223 0.095 0.000 2.599 267 L HA 0.025 4.365 4.340 0.001 0.000 0.230 267 L C 0.147 177.057 176.870 0.067 0.000 1.141 267 L CA 0.074 54.963 54.840 0.080 0.000 0.877 267 L CB -0.406 41.707 42.059 0.091 0.000 1.009 267 L HN 0.273 nan 8.230 nan 0.000 0.447 268 E N -0.451 119.794 120.200 0.075 0.000 2.246 268 E HA -0.253 4.098 4.350 0.001 0.000 0.211 268 E C 0.694 177.305 176.600 0.018 0.000 1.278 268 E CA 0.077 56.507 56.400 0.049 0.000 0.694 268 E CB -1.275 28.444 29.700 0.033 0.000 1.166 268 E HN 0.482 nan 8.360 nan 0.000 0.370 269 I N -0.060 120.523 120.570 0.021 0.000 2.810 269 I HA 0.077 4.247 4.170 0.001 0.000 0.262 269 I C 1.142 177.216 176.117 -0.072 0.000 1.131 269 I CA 0.444 61.692 61.300 -0.086 0.000 1.453 269 I CB 0.349 38.191 38.000 -0.264 0.000 1.161 269 I HN 0.251 nan 8.210 nan 0.000 0.444 270 I N -2.349 118.232 120.570 0.019 0.000 2.406 270 I HA 0.437 4.608 4.170 0.001 0.000 0.290 270 I C -0.058 176.080 176.117 0.035 0.000 0.999 270 I CA -0.475 60.837 61.300 0.020 0.000 1.124 270 I CB 1.305 39.349 38.000 0.073 0.000 1.289 270 I HN -0.180 nan 8.210 nan 0.000 0.441 271 K N 4.975 125.371 120.400 -0.008 0.000 2.832 271 K HA 0.252 4.573 4.320 0.001 0.000 0.211 271 K C -0.407 176.189 176.600 -0.008 0.000 1.112 271 K CA -0.330 55.961 56.287 0.006 0.000 1.108 271 K CB 0.330 32.829 32.500 -0.002 0.000 0.899 271 K HN 0.638 nan 8.250 nan 0.000 0.464 272 Q N 0.500 120.283 119.800 -0.028 0.000 2.296 272 Q HA 0.139 4.480 4.340 0.001 0.000 0.262 272 Q C 1.206 177.248 176.000 0.071 0.000 0.981 272 Q CA 0.059 55.829 55.803 -0.056 0.000 0.905 272 Q CB 0.722 29.276 28.738 -0.308 0.000 1.186 272 Q HN 0.354 nan 8.270 nan 0.000 0.399 273 G N 1.785 110.618 108.800 0.056 0.000 2.844 273 G HA2 -0.270 3.690 3.960 0.001 0.000 0.438 273 G HA3 -0.270 3.690 3.960 0.001 0.000 0.438 273 G C 0.747 175.715 174.900 0.113 0.000 0.963 273 G CA 0.930 46.076 45.100 0.077 0.000 0.981 273 G HN 0.709 nan 8.290 nan 0.000 0.951 274 C N -1.150 118.215 119.300 0.108 0.000 3.364 274 C HA 0.343 4.804 4.460 0.001 0.000 0.340 274 C C 2.540 177.603 174.990 0.121 0.000 1.336 274 C CA 0.096 59.182 59.018 0.114 0.000 1.778 274 C CB -0.421 27.375 27.740 0.093 0.000 2.398 274 C HN 0.740 nan 8.230 nan 0.000 0.667 275 E N 0.299 120.574 120.200 0.125 0.000 2.107 275 E HA -0.141 4.210 4.350 0.001 0.000 0.191 275 E C 1.644 178.330 176.600 0.144 0.000 0.982 275 E CA 1.074 57.547 56.400 0.122 0.000 0.809 275 E CB -0.094 29.672 29.700 0.109 0.000 0.756 275 E HN 0.661 nan 8.360 nan 0.000 0.459 276 F N 2.642 122.601 119.950 0.014 0.000 2.084 276 F HA -0.175 4.352 4.527 0.000 0.000 0.296 276 F C 2.297 178.079 175.800 -0.030 0.000 1.111 276 F CA 1.969 59.961 58.000 -0.013 0.000 1.224 276 F CB -0.167 38.820 39.000 -0.021 0.000 0.991 276 F HN -0.036 nan 8.300 nan 0.000 0.471 277 E N -0.470 119.725 120.200 -0.007 0.000 2.160 277 E HA -0.290 4.060 4.350 0.001 0.000 0.195 277 E C 1.993 178.488 176.600 -0.175 0.000 0.991 277 E CA 1.505 57.795 56.400 -0.183 0.000 0.810 277 E CB -1.117 28.591 29.700 0.013 0.000 0.742 277 E HN 0.585 nan 8.360 nan 0.000 0.466 278 N N 0.818 119.543 118.700 0.041 0.000 2.309 278 N HA -0.127 4.614 4.740 0.001 0.000 0.182 278 N C 1.683 177.247 175.510 0.090 0.000 1.018 278 N CA 1.899 55.029 53.050 0.134 0.000 0.876 278 N CB 0.048 38.608 38.487 0.122 0.000 0.972 278 N HN 0.456 nan 8.380 nan 0.000 0.434 279 T N -2.835 111.711 114.554 -0.014 0.000 3.044 279 T HA 0.096 4.446 4.350 0.001 0.000 0.255 279 T C 2.062 176.750 174.700 -0.019 0.000 1.073 279 T CA 0.230 62.357 62.100 0.045 0.000 1.125 279 T CB -0.201 68.656 68.868 -0.019 0.000 0.908 279 T HN -0.112 nan 8.240 nan 0.000 0.480 280 V N 1.842 121.565 119.914 -0.318 0.000 2.307 280 V HA -0.155 3.965 4.120 0.001 0.000 0.245 280 V C 2.492 178.497 176.094 -0.148 0.000 1.045 280 V CA 2.000 64.085 62.300 -0.357 0.000 1.024 280 V CB -0.877 30.598 31.823 -0.579 0.000 0.651 280 V HN 0.636 nan 8.190 nan 0.000 0.449 281 H N -0.244 118.829 119.070 0.005 0.000 2.423 281 H HA -0.130 4.426 4.556 0.001 0.000 0.297 281 H C 2.300 177.656 175.328 0.048 0.000 1.075 281 H CA 1.473 57.540 56.048 0.032 0.000 1.342 281 H CB 0.021 29.799 29.762 0.026 0.000 1.395 281 H HN 0.292 nan 8.280 nan 0.000 0.530 282 K N -0.060 120.446 120.400 0.176 0.000 2.283 282 K HA -0.127 4.193 4.320 0.001 0.000 0.202 282 K C 0.742 177.288 176.600 -0.090 0.000 1.048 282 K CA 0.781 57.107 56.287 0.065 0.000 0.948 282 K CB 0.179 32.766 32.500 0.145 0.000 0.742 282 K HN 0.432 nan 8.250 nan 0.000 0.458 283 W N 0.112 121.361 121.300 -0.085 0.000 3.102 283 W HA 0.207 4.867 4.660 0.000 0.000 0.401 283 W C 0.662 177.151 176.519 -0.049 0.000 1.070 283 W CA -0.166 57.120 57.345 -0.099 0.000 1.921 283 W CB 0.373 29.756 29.460 -0.129 0.000 1.118 283 W HN 0.058 nan 8.180 nan 0.000 0.647 284 I N -0.842 119.801 120.570 0.121 0.000 2.899 284 I HA -0.149 4.022 4.170 0.001 0.000 0.257 284 I C 2.334 178.567 176.117 0.194 0.000 1.115 284 I CA 0.872 62.272 61.300 0.166 0.000 1.451 284 I CB -0.340 37.762 38.000 0.171 0.000 1.251 284 I HN -0.330 nan 8.210 nan 0.000 0.456 285 S N 1.065 116.830 115.700 0.109 0.000 2.382 285 S HA -0.112 4.359 4.470 0.001 0.000 0.228 285 S C 1.979 176.547 174.600 -0.055 0.000 1.027 285 S CA 1.381 59.629 58.200 0.079 0.000 0.991 285 S CB -0.329 62.915 63.200 0.073 0.000 0.823 285 S HN 0.303 nan 8.310 nan 0.000 0.469 286 I N 1.773 122.238 120.570 -0.176 0.000 2.202 286 I HA -0.161 4.010 4.170 0.001 0.000 0.242 286 I C 2.865 178.854 176.117 -0.212 0.000 1.091 286 I CA 1.561 62.693 61.300 -0.279 0.000 1.368 286 I CB -1.146 36.557 38.000 -0.496 0.000 1.058 286 I HN 0.388 nan 8.210 nan 0.000 0.410 287 T N -1.786 112.705 114.554 -0.106 0.000 2.867 287 T HA -0.198 4.153 4.350 0.001 0.000 0.268 287 T C 1.716 176.319 174.700 -0.162 0.000 1.057 287 T CA 1.314 63.380 62.100 -0.057 0.000 1.136 287 T CB -0.356 68.562 68.868 0.083 0.000 0.874 287 T HN 0.422 nan 8.240 nan 0.000 0.466 288 E N 1.203 121.303 120.200 -0.165 0.000 2.072 288 E HA -0.004 4.347 4.350 0.001 0.000 0.190 288 E C 2.480 178.429 176.600 -1.085 0.000 0.982 288 E CA 0.850 56.880 56.400 -0.616 0.000 0.803 288 E CB -0.344 29.173 29.700 -0.305 0.000 0.755 288 E HN 0.646 nan 8.360 nan 0.000 0.453 289 A N 0.972 123.416 122.820 -0.627 0.000 1.873 289 A HA -0.133 4.187 4.320 0.001 0.000 0.215 289 A C 2.163 179.507 177.584 -0.401 0.000 1.186 289 A CA 0.966 52.698 52.037 -0.509 0.000 0.616 289 A CB -0.655 18.064 19.000 -0.468 0.000 0.823 289 A HN 0.268 nan 8.150 nan 0.000 0.442 290 L N -0.657 120.361 121.223 -0.343 0.000 2.131 290 L HA -0.188 4.152 4.340 0.001 0.000 0.210 290 L C 3.018 179.712 176.870 -0.292 0.000 1.092 290 L CA 0.939 55.631 54.840 -0.246 0.000 0.759 290 L CB -0.422 41.510 42.059 -0.211 0.000 0.903 290 L HN 0.442 nan 8.230 nan 0.000 0.435 291 A N -0.181 122.304 122.820 -0.558 0.000 1.930 291 A HA -0.182 4.138 4.320 0.001 0.000 0.217 291 A C 1.917 179.167 177.584 -0.558 0.000 1.175 291 A CA 1.196 52.706 52.037 -0.878 0.000 0.627 291 A CB -0.691 17.338 19.000 -1.618 0.000 0.815 291 A HN 0.324 nan 8.150 nan 0.000 0.443 292 F N -0.735 119.031 119.950 -0.307 0.000 2.373 292 F HA -0.129 4.398 4.527 0.000 0.000 0.300 292 F C 1.784 177.495 175.800 -0.149 0.000 1.080 292 F CA 0.136 58.071 58.000 -0.107 0.000 1.417 292 F CB -1.477 37.582 39.000 0.099 0.000 1.070 292 F HN 0.423 nan 8.300 nan 0.000 0.546 293 F N 1.590 121.513 119.950 -0.046 0.000 2.307 293 F HA -0.275 4.252 4.527 0.000 0.000 0.301 293 F C 2.663 178.432 175.800 -0.051 0.000 1.076 293 F CA 1.834 59.802 58.000 -0.053 0.000 1.383 293 F CB -0.619 38.340 39.000 -0.068 0.000 1.055 293 F HN 0.264 nan 8.300 nan 0.000 0.526 294 H N -1.821 117.164 119.070 -0.141 0.000 2.426 294 H HA -0.216 4.340 4.556 0.000 0.000 0.298 294 H C 1.956 177.253 175.328 -0.051 0.000 1.107 294 H CA 1.808 57.789 56.048 -0.112 0.000 1.298 294 H CB -1.662 28.044 29.762 -0.094 0.000 1.377 294 H HN 0.315 nan 8.280 nan 0.000 0.519 295 C N -0.159 118.810 119.300 -0.552 0.000 2.437 295 C HA -0.009 4.452 4.460 0.001 0.000 0.283 295 C C 2.269 177.131 174.990 -0.214 0.000 1.424 295 C CA 0.701 59.538 59.018 -0.301 0.000 1.782 295 C CB -1.205 26.401 27.740 -0.223 0.000 1.833 295 C HN 0.841 nan 8.230 nan 0.000 0.532 296 C N -0.318 118.750 119.300 -0.387 0.000 2.906 296 C HA 0.222 4.682 4.460 0.001 0.000 0.274 296 C C 2.301 177.054 174.990 -0.395 0.000 1.257 296 C CA -0.144 58.630 59.018 -0.406 0.000 1.695 296 C CB -1.373 26.052 27.740 -0.526 0.000 1.958 296 C HN 0.597 nan 8.230 nan 0.000 0.619 297 L N 1.546 122.564 121.223 -0.343 0.000 2.056 297 L HA -0.101 4.240 4.340 0.001 0.000 0.207 297 L C 2.647 179.482 176.870 -0.058 0.000 1.078 297 L CA 1.458 56.203 54.840 -0.158 0.000 0.749 297 L CB -0.647 41.398 42.059 -0.023 0.000 0.901 297 L HN 0.349 nan 8.230 nan 0.000 0.433 298 N N 0.112 118.800 118.700 -0.020 0.000 2.084 298 N HA -0.131 4.610 4.740 0.001 0.000 0.190 298 N C -0.838 174.700 175.510 0.047 0.000 1.030 298 N CA 1.705 54.761 53.050 0.009 0.000 0.849 298 N CB -0.936 37.595 38.487 0.073 0.000 1.012 298 N HN 0.122 nan 8.380 nan 0.000 0.423 299 P HA 0.058 nan 4.420 nan 0.000 0.221 299 P C 1.461 178.817 177.300 0.093 0.000 1.155 299 P CA 0.551 63.735 63.100 0.139 0.000 0.812 299 P CB 0.144 31.879 31.700 0.058 0.000 0.801 300 I N -0.821 119.765 120.570 0.027 0.000 2.361 300 I HA -0.189 3.981 4.170 0.001 0.000 0.251 300 I C 2.081 178.239 176.117 0.067 0.000 1.133 300 I CA 1.384 62.714 61.300 0.050 0.000 1.413 300 I CB -0.614 37.418 38.000 0.053 0.000 1.073 300 I HN -0.150 nan 8.210 nan 0.000 0.424 301 L N -1.638 119.586 121.223 0.000 0.000 2.478 301 L HA -0.151 4.190 4.340 0.001 0.000 0.223 301 L C 1.635 178.455 176.870 -0.084 0.000 1.140 301 L CA 0.569 55.374 54.840 -0.057 0.000 0.842 301 L CB -0.361 41.614 42.059 -0.139 0.000 0.953 301 L HN 0.247 nan 8.230 nan 0.000 0.452 302 Y N 0.088 120.410 120.300 0.037 0.000 2.523 302 Y HA 0.242 4.792 4.550 0.000 0.000 0.279 302 Y C 1.599 177.501 175.900 0.004 0.000 1.139 302 Y CA -0.596 57.518 58.100 0.022 0.000 1.296 302 Y CB -0.263 38.199 38.460 0.004 0.000 1.045 302 Y HN 0.008 nan 8.280 nan 0.000 0.538 303 A N -0.642 122.251 122.820 0.121 0.000 2.407 303 A HA 0.325 4.645 4.320 0.001 0.000 0.248 303 A C 0.028 177.668 177.584 0.094 0.000 1.082 303 A CA -0.301 51.705 52.037 -0.052 0.000 0.785 303 A CB -0.642 18.267 19.000 -0.151 0.000 1.020 303 A HN 0.443 nan 8.150 nan 0.000 0.489 304 F N -1.497 118.543 119.950 0.151 0.000 3.093 304 F HA -0.155 4.373 4.527 0.001 0.000 0.287 304 F C 0.193 176.092 175.800 0.164 0.000 0.882 304 F CA 0.264 58.387 58.000 0.205 0.000 1.063 304 F CB -1.914 37.318 39.000 0.387 0.000 1.097 304 F HN 0.412 nan 8.300 nan 0.000 0.604 305 L N 1.199 122.552 121.223 0.217 0.000 2.325 305 L HA 0.578 4.918 4.340 0.001 0.000 0.284 305 L C 1.196 178.154 176.870 0.147 0.000 1.089 305 L CA 1.153 56.097 54.840 0.174 0.000 0.836 305 L CB 0.720 42.880 42.059 0.167 0.000 1.184 305 L HN 0.506 nan 8.230 nan 0.000 0.444 306 G N 3.185 112.071 108.800 0.143 0.000 2.199 306 G HA2 -0.234 3.726 3.960 0.001 0.000 0.254 306 G HA3 -0.234 3.726 3.960 0.001 0.000 0.254 306 G C 0.495 175.483 174.900 0.147 0.000 0.982 306 G CA 0.104 45.276 45.100 0.120 0.000 0.632 306 G HN 1.120 nan 8.290 nan 0.000 0.529 307 A N 0.226 123.177 122.820 0.218 0.000 2.488 307 A HA 0.580 4.900 4.320 0.001 0.000 0.249 307 A C 0.545 178.310 177.584 0.301 0.000 1.083 307 A CA 0.588 52.792 52.037 0.278 0.000 0.768 307 A CB 0.301 19.570 19.000 0.448 0.000 1.017 307 A HN 0.379 nan 8.150 nan 0.000 0.496 308 K N 2.584 123.118 120.400 0.222 0.000 2.250 308 K HA 0.263 4.583 4.320 0.001 0.000 0.280 308 K C -1.274 175.462 176.600 0.226 0.000 1.098 308 K CA -0.132 56.273 56.287 0.196 0.000 0.916 308 K CB 0.101 32.669 32.500 0.113 0.000 1.209 308 K HN 0.573 nan 8.250 nan 0.000 0.461 309 F N 4.350 124.298 119.950 -0.003 0.000 2.679 309 F HA 0.064 4.592 4.527 0.000 0.000 0.351 309 F C 1.139 176.926 175.800 -0.021 0.000 1.279 309 F CA 0.263 58.242 58.000 -0.035 0.000 1.227 309 F CB 0.138 39.095 39.000 -0.071 0.000 1.623 309 F HN 0.399 nan 8.300 nan 0.000 0.666 310 K N -0.395 120.052 120.400 0.078 0.000 2.424 310 K HA 0.135 4.455 4.320 0.001 0.000 0.200 310 K C 0.658 177.265 176.600 0.012 0.000 1.279 310 K CA 0.325 56.641 56.287 0.050 0.000 0.918 310 K CB 0.073 32.602 32.500 0.048 0.000 1.287 310 K HN 0.206 nan 8.250 nan 0.000 0.502 311 T N 2.573 117.117 114.554 -0.017 0.000 2.930 311 T HA 0.237 4.587 4.350 0.001 0.000 0.306 311 T C 0.526 175.203 174.700 -0.038 0.000 1.045 311 T CA -0.203 61.881 62.100 -0.027 0.000 1.134 311 T CB 1.041 69.888 68.868 -0.034 0.000 0.961 311 T HN 0.258 nan 8.240 nan 0.000 0.545 1011 E N 1.333 121.548 120.200 0.025 0.000 2.364 1011 E HA 0.356 4.706 4.350 0.001 0.000 0.196 1011 E C 1.132 177.745 176.600 0.022 0.000 0.990 1011 E CA 0.944 57.374 56.400 0.050 0.000 0.886 1011 E CB 1.372 31.102 29.700 0.050 0.000 0.866 1011 E HN 0.399 nan 8.360 nan 0.000 0.493 1012 G N 1.772 110.554 108.800 -0.029 0.000 2.722 1012 G HA2 -0.200 3.760 3.960 0.001 0.000 0.686 1012 G HA3 -0.200 3.760 3.960 0.001 0.000 0.686 1012 G C -0.966 173.889 174.900 -0.074 0.000 1.282 1012 G CA -0.192 44.871 45.100 -0.061 0.000 0.817 1012 G HN 0.151 nan 8.290 nan 0.000 0.605 1013 L N 1.247 122.411 121.223 -0.099 0.000 2.313 1013 L HA 0.955 5.295 4.340 0.001 0.000 0.283 1013 L C 0.115 176.921 176.870 -0.107 0.000 1.013 1013 L CA -0.945 53.842 54.840 -0.088 0.000 0.816 1013 L CB 1.693 43.694 42.059 -0.096 0.000 1.236 1013 L HN 0.762 nan 8.230 nan 0.000 0.419 1014 R N 4.074 124.523 120.500 -0.085 0.000 2.500 1014 R HA 0.434 4.775 4.340 0.001 0.000 0.299 1014 R C 0.037 176.357 176.300 0.034 0.000 1.038 1014 R CA -0.354 55.685 56.100 -0.101 0.000 0.903 1014 R CB 1.191 31.266 30.300 -0.376 0.000 1.177 1014 R HN 0.843 nan 8.270 nan 0.000 0.455 1015 L N 2.262 123.498 121.223 0.022 0.000 2.554 1015 L HA 0.159 4.499 4.340 0.001 0.000 0.226 1015 L C 0.524 177.436 176.870 0.069 0.000 1.137 1015 L CA 0.643 55.508 54.840 0.043 0.000 0.863 1015 L CB -0.070 41.999 42.059 0.016 0.000 0.985 1015 L HN 0.357 nan 8.230 nan 0.000 0.451 1016 K N 1.385 121.841 120.400 0.093 0.000 2.324 1016 K HA 0.400 4.720 4.320 0.001 0.000 0.253 1016 K C -0.055 176.672 176.600 0.212 0.000 0.932 1016 K CA -0.802 55.553 56.287 0.114 0.000 0.799 1016 K CB 1.516 34.064 32.500 0.079 0.000 1.154 1016 K HN 0.050 nan 8.250 nan 0.000 0.425 1017 I N 2.366 123.050 120.570 0.190 0.000 2.906 1017 I HA 0.067 4.237 4.170 0.001 0.000 0.302 1017 I C -0.594 175.714 176.117 0.320 0.000 1.220 1017 I CA 0.195 61.631 61.300 0.225 0.000 1.441 1017 I CB -0.512 37.568 38.000 0.133 0.000 1.336 1017 I HN 0.644 nan 8.210 nan 0.000 0.565 1018 Y N 2.660 123.060 120.300 0.166 0.000 2.588 1018 Y HA 0.682 5.233 4.550 0.000 0.000 0.343 1018 Y C -1.046 174.917 175.900 0.106 0.000 1.065 1018 Y CA -1.622 56.553 58.100 0.125 0.000 1.038 1018 Y CB 1.139 39.647 38.460 0.079 0.000 1.297 1018 Y HN 0.401 nan 8.280 nan 0.000 0.467 1019 K N 2.735 123.167 120.400 0.054 0.000 2.201 1019 K HA 0.193 4.514 4.320 0.001 0.000 0.278 1019 K C -0.875 175.732 176.600 0.012 0.000 1.027 1019 K CA -0.739 55.481 56.287 -0.110 0.000 0.909 1019 K CB 0.893 33.304 32.500 -0.148 0.000 1.062 1019 K HN 0.827 nan 8.250 nan 0.000 0.465 1020 D N 0.936 121.295 120.400 -0.069 0.000 2.398 1020 D HA -0.002 4.638 4.640 0.001 0.000 0.264 1020 D C 0.819 177.117 176.300 -0.003 0.000 1.263 1020 D CA -0.369 53.662 54.000 0.051 0.000 1.037 1020 D CB -0.069 40.758 40.800 0.044 0.000 1.101 1020 D HN 0.397 nan 8.370 nan 0.000 0.551 1021 T N -0.580 113.988 114.554 0.023 0.000 2.721 1021 T HA -0.240 4.111 4.350 0.001 0.000 0.268 1021 T C 1.249 175.891 174.700 -0.096 0.000 1.038 1021 T CA 2.052 64.143 62.100 -0.014 0.000 1.145 1021 T CB -0.435 68.445 68.868 0.019 0.000 0.858 1021 T HN 0.723 nan 8.240 nan 0.000 0.459 1022 E N 0.724 120.809 120.200 -0.193 0.000 2.472 1022 E HA 0.373 4.723 4.350 0.001 0.000 0.196 1022 E C 1.421 177.688 176.600 -0.555 0.000 1.033 1022 E CA 0.348 56.522 56.400 -0.377 0.000 0.886 1022 E CB 0.116 29.549 29.700 -0.445 0.000 0.944 1022 E HN 0.471 nan 8.360 nan 0.000 0.492 1023 G N 0.957 109.502 108.800 -0.424 0.000 2.130 1023 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 1023 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 1023 G C -0.394 174.278 174.900 -0.381 0.000 0.999 1023 G CA -0.177 44.703 45.100 -0.367 0.000 0.686 1023 G HN 0.347 nan 8.290 nan 0.000 0.515 1024 Y N -0.682 119.499 120.300 -0.198 0.000 2.334 1024 Y HA 0.564 5.114 4.550 0.001 0.000 0.328 1024 Y C 0.784 176.530 175.900 -0.257 0.000 1.130 1024 Y CA -1.562 56.412 58.100 -0.210 0.000 1.163 1024 Y CB 0.815 39.217 38.460 -0.097 0.000 1.207 1024 Y HN 0.141 nan 8.280 nan 0.000 0.471 1025 Y N 1.834 122.181 120.300 0.078 0.000 2.650 1025 Y HA 0.146 4.696 4.550 -0.000 0.000 0.331 1025 Y C 0.674 176.510 175.900 -0.106 0.000 1.165 1025 Y CA -0.258 57.820 58.100 -0.037 0.000 1.473 1025 Y CB 0.045 38.504 38.460 -0.002 0.000 1.224 1025 Y HN 0.495 nan 8.280 nan 0.000 0.533 1026 T N 2.125 116.576 114.554 -0.172 0.000 2.896 1026 T HA 0.819 5.169 4.350 0.001 0.000 0.297 1026 T C -0.978 173.557 174.700 -0.275 0.000 1.108 1026 T CA -0.881 61.033 62.100 -0.310 0.000 1.004 1026 T CB 2.313 70.848 68.868 -0.554 0.000 1.159 1026 T HN 0.547 nan 8.240 nan 0.000 0.499 1027 I N 0.124 120.750 120.570 0.093 0.000 2.775 1027 I HA 0.547 4.717 4.170 0.001 0.000 0.295 1027 I C 0.459 176.758 176.117 0.303 0.000 1.287 1027 I CA 0.363 61.834 61.300 0.285 0.000 1.029 1027 I CB 1.480 39.582 38.000 0.170 0.000 1.282 1027 I HN 1.338 nan 8.210 nan 0.000 0.426 1028 G N 5.761 114.728 108.800 0.278 0.000 2.553 1028 G HA2 -0.245 3.715 3.960 0.001 0.000 0.242 1028 G HA3 -0.245 3.715 3.960 0.001 0.000 0.242 1028 G C -0.276 174.746 174.900 0.202 0.000 1.277 1028 G CA -0.077 45.131 45.100 0.180 0.000 0.910 1028 G HN 0.740 nan 8.290 nan 0.000 0.576 1029 I N 2.638 123.302 120.570 0.157 0.000 2.270 1029 I HA 0.414 4.585 4.170 0.001 0.000 0.300 1029 I C 1.597 177.831 176.117 0.196 0.000 1.186 1029 I CA 1.111 62.482 61.300 0.118 0.000 1.431 1029 I CB -0.129 37.858 38.000 -0.021 0.000 1.485 1029 I HN 1.833 nan 8.210 nan 0.000 0.650 1030 G N 3.465 112.444 108.800 0.299 0.000 2.341 1030 G HA2 -0.346 3.614 3.960 0.001 0.000 0.292 1030 G HA3 -0.346 3.614 3.960 0.001 0.000 0.292 1030 G C 0.144 175.312 174.900 0.448 0.000 1.021 1030 G CA 0.112 45.450 45.100 0.397 0.000 0.905 1030 G HN 0.782 nan 8.290 nan 0.000 0.508 1031 H N -0.965 118.273 119.070 0.280 0.000 2.620 1031 H HA 0.534 5.089 4.556 -0.001 0.000 0.313 1031 H C 0.285 175.695 175.328 0.136 0.000 1.075 1031 H CA -0.919 55.266 56.048 0.228 0.000 1.397 1031 H CB 0.890 30.761 29.762 0.181 0.000 1.446 1031 H HN 0.227 nan 8.280 nan 0.000 0.493 1032 L N 6.759 127.920 121.223 -0.103 0.000 2.282 1032 L HA 0.112 4.453 4.340 0.001 0.000 0.287 1032 L C -0.138 176.726 176.870 -0.011 0.000 1.075 1032 L CA -0.222 54.594 54.840 -0.039 0.000 0.839 1032 L CB 0.064 42.073 42.059 -0.084 0.000 1.219 1032 L HN 0.775 nan 8.230 nan 0.000 0.434 1033 L N 3.054 124.342 121.223 0.108 0.000 1.955 1033 L HA 0.004 4.345 4.340 0.001 0.000 0.213 1033 L C 1.107 178.003 176.870 0.043 0.000 1.072 1033 L CA 1.674 56.578 54.840 0.108 0.000 0.755 1033 L CB -0.768 41.364 42.059 0.122 0.000 0.888 1033 L HN 0.760 nan 8.230 nan 0.000 0.432 1034 T N -2.698 111.882 114.554 0.043 0.000 2.977 1034 T HA 0.210 4.560 4.350 0.001 0.000 0.345 1034 T C -0.113 174.572 174.700 -0.025 0.000 1.562 1034 T CA -0.720 61.377 62.100 -0.006 0.000 1.090 1034 T CB 0.978 69.854 68.868 0.013 0.000 1.383 1034 T HN 0.094 nan 8.240 nan 0.000 0.484 1035 K N 1.245 121.535 120.400 -0.183 0.000 2.444 1035 K HA 0.174 4.494 4.320 0.001 0.000 0.193 1035 K C 0.742 177.333 176.600 -0.014 0.000 1.024 1035 K CA -0.072 56.017 56.287 -0.329 0.000 1.077 1035 K CB 0.301 32.377 32.500 -0.707 0.000 0.833 1035 K HN 0.379 nan 8.250 nan 0.000 0.517 1036 S N 2.004 117.735 115.700 0.053 0.000 2.510 1036 S HA 0.122 4.592 4.470 0.001 0.000 0.279 1036 S C -1.877 172.851 174.600 0.214 0.000 1.284 1036 S CA -1.520 56.741 58.200 0.101 0.000 1.059 1036 S CB 0.762 64.003 63.200 0.069 0.000 0.901 1036 S HN -0.029 nan 8.310 nan 0.000 0.491 1037 P HA 0.040 nan 4.420 nan 0.000 0.234 1037 P C 0.105 177.610 177.300 0.341 0.000 1.167 1037 P CA 0.217 63.465 63.100 0.246 0.000 0.763 1037 P CB 0.073 31.848 31.700 0.126 0.000 0.835 1038 S N -0.374 115.449 115.700 0.205 0.000 2.516 1038 S HA 0.110 4.580 4.470 0.001 0.000 0.282 1038 S C 1.188 175.772 174.600 -0.027 0.000 1.286 1038 S CA -0.462 57.795 58.200 0.095 0.000 1.066 1038 S CB -0.118 63.106 63.200 0.041 0.000 0.884 1038 S HN -0.169 nan 8.310 nan 0.000 0.491 1039 L N 5.605 126.772 121.223 -0.093 0.000 1.976 1039 L HA -0.089 4.251 4.340 0.001 0.000 0.209 1039 L C 2.127 178.834 176.870 -0.273 0.000 1.071 1039 L CA 2.012 56.671 54.840 -0.302 0.000 0.746 1039 L CB -0.699 41.288 42.059 -0.120 0.000 0.890 1039 L HN 0.689 nan 8.230 nan 0.000 0.432 1040 N N -0.651 117.969 118.700 -0.133 0.000 2.188 1040 N HA -0.126 4.614 4.740 0.001 0.000 0.184 1040 N C 1.809 177.266 175.510 -0.088 0.000 1.018 1040 N CA 1.000 53.992 53.050 -0.096 0.000 0.858 1040 N CB -0.289 38.166 38.487 -0.052 0.000 0.989 1040 N HN 0.355 nan 8.380 nan 0.000 0.426 1041 A N 0.856 123.630 122.820 -0.077 0.000 1.969 1041 A HA 0.071 4.391 4.320 0.001 0.000 0.218 1041 A C 2.273 179.820 177.584 -0.061 0.000 1.169 1041 A CA 1.562 53.570 52.037 -0.050 0.000 0.635 1041 A CB -0.703 18.284 19.000 -0.022 0.000 0.810 1041 A HN 0.344 nan 8.150 nan 0.000 0.445 1042 A N -0.155 122.591 122.820 -0.124 0.000 1.872 1042 A HA -0.057 4.264 4.320 0.001 0.000 0.214 1042 A C 2.102 179.623 177.584 -0.106 0.000 1.187 1042 A CA 1.489 53.451 52.037 -0.125 0.000 0.614 1042 A CB -0.356 18.463 19.000 -0.302 0.000 0.826 1042 A HN 0.481 nan 8.150 nan 0.000 0.442 1043 K N 0.597 120.912 120.400 -0.142 0.000 2.009 1043 K HA -0.153 4.167 4.320 0.001 0.000 0.210 1043 K C 2.343 178.915 176.600 -0.047 0.000 1.049 1043 K CA 1.856 58.090 56.287 -0.088 0.000 0.929 1043 K CB -0.355 32.090 32.500 -0.092 0.000 0.714 1043 K HN 0.642 nan 8.250 nan 0.000 0.440 1044 S N 0.994 116.667 115.700 -0.044 0.000 2.442 1044 S HA -0.149 4.321 4.470 0.001 0.000 0.236 1044 S C 1.871 176.463 174.600 -0.014 0.000 1.007 1044 S CA 1.265 59.450 58.200 -0.026 0.000 0.965 1044 S CB -0.058 63.127 63.200 -0.025 0.000 0.773 1044 S HN 0.222 nan 8.310 nan 0.000 0.504 1045 E N 0.662 120.854 120.200 -0.012 0.000 2.285 1045 E HA 0.211 4.561 4.350 0.001 0.000 0.194 1045 E C 1.158 177.771 176.600 0.022 0.000 0.997 1045 E CA 0.442 56.845 56.400 0.006 0.000 0.845 1045 E CB -0.118 29.588 29.700 0.009 0.000 0.782 1045 E HN 0.522 nan 8.360 nan 0.000 0.491 1046 L N 0.034 121.265 121.223 0.012 0.000 3.069 1046 L HA 0.215 4.556 4.340 0.001 0.000 0.271 1046 L C 0.644 177.510 176.870 -0.006 0.000 1.201 1046 L CA 0.092 54.940 54.840 0.013 0.000 1.015 1046 L CB 0.748 42.825 42.059 0.029 0.000 1.371 1046 L HN -0.076 nan 8.230 nan 0.000 0.574 1047 D N -0.511 119.885 120.400 -0.008 0.000 2.271 1047 D HA -0.055 4.585 4.640 0.001 0.000 0.206 1047 D C 1.729 178.024 176.300 -0.007 0.000 0.967 1047 D CA 0.549 54.543 54.000 -0.010 0.000 0.867 1047 D CB 0.670 41.462 40.800 -0.013 0.000 0.960 1047 D HN 0.011 nan 8.370 nan 0.000 0.509 1048 K N 0.653 121.051 120.400 -0.003 0.000 2.400 1048 K HA 0.182 4.503 4.320 0.001 0.000 0.194 1048 K C 1.470 178.072 176.600 0.002 0.000 1.033 1048 K CA 0.249 56.536 56.287 0.000 0.000 1.021 1048 K CB 0.145 32.647 32.500 0.003 0.000 0.808 1048 K HN -0.056 nan 8.250 nan 0.000 0.505 1049 A N 0.289 123.109 122.820 -0.000 0.000 2.072 1049 A HA 0.059 4.379 4.320 0.001 0.000 0.216 1049 A C 1.794 179.367 177.584 -0.018 0.000 1.156 1049 A CA 1.108 53.141 52.037 -0.006 0.000 0.701 1049 A CB -0.494 18.494 19.000 -0.019 0.000 0.816 1049 A HN 0.410 nan 8.150 nan 0.000 0.458 1050 I N -5.519 115.040 120.570 -0.018 0.000 3.718 1050 I HA 0.519 4.690 4.170 0.001 0.000 0.297 1050 I C 1.252 177.365 176.117 -0.007 0.000 1.220 1050 I CA 0.474 61.764 61.300 -0.016 0.000 1.381 1050 I CB 0.010 37.999 38.000 -0.019 0.000 1.238 1050 I HN 0.298 nan 8.210 nan 0.000 0.448 1051 G N 2.015 110.811 108.800 -0.006 0.000 2.356 1051 G HA2 -0.152 3.808 3.960 0.001 0.000 0.233 1051 G HA3 -0.152 3.808 3.960 0.001 0.000 0.233 1051 G C -0.205 174.693 174.900 -0.003 0.000 1.105 1051 G CA -0.238 44.860 45.100 -0.003 0.000 0.861 1051 G HN 0.518 nan 8.290 nan 0.000 0.493 1052 R N -1.289 119.208 120.500 -0.005 0.000 2.664 1052 R HA 0.261 4.601 4.340 0.001 0.000 0.266 1052 R C -0.841 175.456 176.300 -0.006 0.000 1.046 1052 R CA -0.939 55.158 56.100 -0.004 0.000 0.885 1052 R CB 0.912 31.210 30.300 -0.004 0.000 1.254 1052 R HN 0.231 nan 8.270 nan 0.000 0.465 1053 N N 0.307 119.004 118.700 -0.005 0.000 2.439 1053 N HA 0.083 4.823 4.740 0.001 0.000 0.243 1053 N C 0.376 175.883 175.510 -0.006 0.000 1.088 1053 N CA -0.105 52.941 53.050 -0.007 0.000 0.940 1053 N CB 1.136 39.620 38.487 -0.006 0.000 1.180 1053 N HN 0.578 nan 8.380 nan 0.000 0.505 1054 T N -1.607 112.943 114.554 -0.006 0.000 2.969 1054 T HA 0.138 4.489 4.350 0.001 0.000 0.250 1054 T C 0.698 175.396 174.700 -0.004 0.000 1.021 1054 T CA -0.299 61.798 62.100 -0.004 0.000 1.003 1054 T CB 0.080 68.947 68.868 -0.002 0.000 1.040 1054 T HN 0.555 nan 8.240 nan 0.000 0.492 1055 N N 1.533 120.227 118.700 -0.009 0.000 2.741 1055 N HA -0.239 4.501 4.740 0.001 0.000 0.250 1055 N C 0.898 176.403 175.510 -0.008 0.000 1.115 1055 N CA 0.647 53.690 53.050 -0.012 0.000 0.724 1055 N CB -1.321 37.161 38.487 -0.007 0.000 1.090 1055 N HN 0.874 nan 8.380 nan 0.000 0.558 1056 G N -1.204 107.593 108.800 -0.005 0.000 2.992 1056 G HA2 -0.281 3.679 3.960 0.001 0.000 0.229 1056 G HA3 -0.281 3.679 3.960 0.001 0.000 0.229 1056 G C -0.125 174.788 174.900 0.022 0.000 1.969 1056 G CA -0.154 44.952 45.100 0.009 0.000 1.603 1056 G HN 0.578 nan 8.290 nan 0.000 0.573 1057 V N 2.832 122.761 119.914 0.024 0.000 2.678 1057 V HA 0.328 4.449 4.120 0.001 0.000 0.304 1057 V C 0.848 176.953 176.094 0.019 0.000 1.086 1057 V CA 1.499 63.814 62.300 0.025 0.000 1.246 1057 V CB -0.562 31.272 31.823 0.019 0.000 0.861 1057 V HN 1.190 nan 8.190 nan 0.000 0.491 1058 I N 0.924 121.507 120.570 0.022 0.000 2.828 1058 I HA 0.936 5.106 4.170 0.001 0.000 0.302 1058 I C 0.315 176.438 176.117 0.011 0.000 1.101 1058 I CA -0.657 60.652 61.300 0.014 0.000 1.031 1058 I CB 1.848 39.855 38.000 0.012 0.000 1.231 1058 I HN 0.633 nan 8.210 nan 0.000 0.427 1059 T N 1.509 116.066 114.554 0.006 0.000 2.788 1059 T HA 0.237 4.587 4.350 0.001 0.000 0.287 1059 T C 0.746 175.447 174.700 0.001 0.000 1.007 1059 T CA -0.193 61.908 62.100 0.003 0.000 1.005 1059 T CB 0.550 69.418 68.868 0.001 0.000 1.012 1059 T HN 0.861 nan 8.240 nan 0.000 0.530 1060 K N -0.117 120.281 120.400 -0.004 0.000 2.057 1060 K HA -0.108 4.212 4.320 0.001 0.000 0.206 1060 K C 1.402 177.998 176.600 -0.007 0.000 1.050 1060 K CA 1.844 58.125 56.287 -0.010 0.000 0.935 1060 K CB -0.198 32.291 32.500 -0.017 0.000 0.715 1060 K HN 0.720 nan 8.250 nan 0.000 0.439 1061 D N 0.368 120.767 120.400 -0.002 0.000 2.219 1061 D HA -0.103 4.537 4.640 0.001 0.000 0.205 1061 D C 1.512 177.818 176.300 0.010 0.000 0.970 1061 D CA 0.954 54.956 54.000 0.004 0.000 0.851 1061 D CB 0.191 40.993 40.800 0.004 0.000 0.943 1061 D HN 0.317 nan 8.370 nan 0.000 0.488 1062 E N 0.339 120.543 120.200 0.007 0.000 2.072 1062 E HA -0.115 4.235 4.350 0.001 0.000 0.191 1062 E C 2.127 178.733 176.600 0.011 0.000 0.985 1062 E CA 0.920 57.324 56.400 0.006 0.000 0.801 1062 E CB -0.062 29.638 29.700 0.000 0.000 0.750 1062 E HN 0.245 nan 8.360 nan 0.000 0.452 1063 A N 1.192 124.021 122.820 0.014 0.000 1.969 1063 A HA -0.228 4.092 4.320 0.001 0.000 0.218 1063 A C 1.995 179.618 177.584 0.064 0.000 1.169 1063 A CA 1.396 53.450 52.037 0.029 0.000 0.635 1063 A CB -0.351 18.660 19.000 0.018 0.000 0.810 1063 A HN 0.202 nan 8.150 nan 0.000 0.445 1064 E N -0.274 119.954 120.200 0.047 0.000 2.106 1064 E HA -0.168 4.182 4.350 0.001 0.000 0.192 1064 E C 1.994 178.674 176.600 0.133 0.000 0.984 1064 E CA 1.121 57.570 56.400 0.082 0.000 0.806 1064 E CB -0.061 29.660 29.700 0.035 0.000 0.750 1064 E HN 0.567 nan 8.360 nan 0.000 0.458 1065 K N 0.135 120.581 120.400 0.077 0.000 2.057 1065 K HA -0.140 4.181 4.320 0.001 0.000 0.206 1065 K C 2.215 178.852 176.600 0.061 0.000 1.050 1065 K CA 0.664 56.987 56.287 0.060 0.000 0.935 1065 K CB -0.073 32.446 32.500 0.030 0.000 0.715 1065 K HN 0.109 nan 8.250 nan 0.000 0.439 1066 L N 0.345 121.600 121.223 0.053 0.000 2.056 1066 L HA -0.134 4.206 4.340 0.001 0.000 0.207 1066 L C 2.054 178.995 176.870 0.117 0.000 1.078 1066 L CA 1.361 56.214 54.840 0.021 0.000 0.749 1066 L CB -0.377 41.637 42.059 -0.075 0.000 0.901 1066 L HN 0.098 nan 8.230 nan 0.000 0.433 1067 F N 0.082 120.040 119.950 0.014 0.000 2.186 1067 F HA -0.190 4.340 4.527 0.004 0.000 0.299 1067 F C 2.100 177.915 175.800 0.025 0.000 1.090 1067 F CA 1.934 59.940 58.000 0.009 0.000 1.307 1067 F CB -0.417 38.559 39.000 -0.039 0.000 1.019 1067 F HN 0.181 nan 8.300 nan 0.000 0.489 1068 N N -0.310 118.427 118.700 0.062 0.000 2.188 1068 N HA -0.182 4.559 4.740 0.001 0.000 0.184 1068 N C 1.717 177.198 175.510 -0.048 0.000 1.018 1068 N CA 1.222 54.259 53.050 -0.021 0.000 0.858 1068 N CB -0.153 38.374 38.487 0.067 0.000 0.989 1068 N HN 0.459 nan 8.380 nan 0.000 0.426 1069 Q N 0.127 119.929 119.800 0.003 0.000 2.172 1069 Q HA -0.079 4.262 4.340 0.001 0.000 0.200 1069 Q C 0.914 176.936 176.000 0.037 0.000 0.964 1069 Q CA 0.779 56.597 55.803 0.025 0.000 0.855 1069 Q CB 0.271 29.039 28.738 0.049 0.000 0.918 1069 Q HN 0.376 nan 8.270 nan 0.000 0.444 1070 D N -0.407 120.017 120.400 0.040 0.000 2.149 1070 D HA -0.096 4.544 4.640 0.001 0.000 0.201 1070 D C 1.848 178.147 176.300 -0.002 0.000 0.972 1070 D CA 0.856 54.916 54.000 0.099 0.000 0.835 1070 D CB 0.305 41.227 40.800 0.204 0.000 0.966 1070 D HN 0.064 nan 8.370 nan 0.000 0.476 1071 V N 1.218 121.008 119.914 -0.206 0.000 2.273 1071 V HA -0.178 3.942 4.120 0.001 0.000 0.242 1071 V C 1.761 177.808 176.094 -0.078 0.000 1.035 1071 V CA 1.485 63.666 62.300 -0.198 0.000 1.013 1071 V CB -0.475 31.128 31.823 -0.367 0.000 0.652 1071 V HN -0.029 nan 8.190 nan 0.000 0.452 1072 D N 0.565 120.929 120.400 -0.060 0.000 2.239 1072 D HA -0.171 4.470 4.640 0.001 0.000 0.202 1072 D C 1.941 178.231 176.300 -0.017 0.000 0.993 1072 D CA 1.623 55.610 54.000 -0.022 0.000 0.874 1072 D CB -0.155 40.641 40.800 -0.008 0.000 0.922 1072 D HN 0.476 nan 8.370 nan 0.000 0.464 1073 A N -0.096 122.716 122.820 -0.013 0.000 1.956 1073 A HA 0.364 4.684 4.320 0.001 0.000 0.212 1073 A C 2.095 179.662 177.584 -0.028 0.000 1.188 1073 A CA 1.035 53.064 52.037 -0.013 0.000 0.675 1073 A CB -0.139 18.862 19.000 0.001 0.000 0.845 1073 A HN 0.191 nan 8.150 nan 0.000 0.455 1074 A N -0.974 121.832 122.820 -0.024 0.000 2.178 1074 A HA 0.292 4.613 4.320 0.001 0.000 0.211 1074 A C 1.904 179.451 177.584 -0.062 0.000 1.157 1074 A CA 1.075 53.090 52.037 -0.036 0.000 0.780 1074 A CB -0.362 18.642 19.000 0.006 0.000 0.828 1074 A HN 0.412 nan 8.150 nan 0.000 0.476 1075 V N -0.339 119.537 119.914 -0.062 0.000 2.951 1075 V HA -0.063 4.057 4.120 0.001 0.000 0.255 1075 V C 2.354 178.367 176.094 -0.136 0.000 1.088 1075 V CA 1.266 63.506 62.300 -0.100 0.000 1.109 1075 V CB -0.593 31.214 31.823 -0.026 0.000 0.724 1075 V HN 0.569 nan 8.190 nan 0.000 0.471 1076 R N -0.175 120.274 120.500 -0.086 0.000 2.115 1076 R HA -0.012 4.328 4.340 0.001 0.000 0.226 1076 R C 2.293 178.537 176.300 -0.093 0.000 1.100 1076 R CA 1.175 57.231 56.100 -0.074 0.000 0.980 1076 R CB -0.616 29.659 30.300 -0.043 0.000 0.875 1076 R HN 0.562 nan 8.270 nan 0.000 0.445 1077 G N 1.166 109.907 108.800 -0.098 0.000 2.422 1077 G HA2 -0.195 3.765 3.960 0.001 0.000 0.218 1077 G HA3 -0.195 3.765 3.960 0.001 0.000 0.218 1077 G C 1.407 176.232 174.900 -0.125 0.000 1.140 1077 G CA 0.442 45.485 45.100 -0.095 0.000 0.775 1077 G HN 0.161 nan 8.290 nan 0.000 0.545 1078 I N 0.307 120.757 120.570 -0.200 0.000 2.315 1078 I HA -0.073 4.098 4.170 0.001 0.000 0.248 1078 I C 2.372 178.340 176.117 -0.248 0.000 1.117 1078 I CA 0.667 61.795 61.300 -0.285 0.000 1.404 1078 I CB -0.176 37.487 38.000 -0.562 0.000 1.071 1078 I HN 0.086 nan 8.210 nan 0.000 0.419 1079 L N -0.013 121.076 121.223 -0.222 0.000 2.376 1079 L HA -0.075 4.266 4.340 0.001 0.000 0.219 1079 L C 2.401 179.235 176.870 -0.060 0.000 1.133 1079 L CA 0.767 55.540 54.840 -0.112 0.000 0.816 1079 L CB -0.386 41.631 42.059 -0.071 0.000 0.933 1079 L HN 0.115 nan 8.230 nan 0.000 0.449 1080 R N -0.558 119.901 120.500 -0.067 0.000 2.175 1080 R HA 0.098 4.439 4.340 0.001 0.000 0.202 1080 R C 0.966 177.243 176.300 -0.038 0.000 1.018 1080 R CA 0.062 56.136 56.100 -0.044 0.000 1.029 1080 R CB -0.008 30.267 30.300 -0.042 0.000 0.959 1080 R HN 0.125 nan 8.270 nan 0.000 0.480 1081 N N 0.874 119.544 118.700 -0.049 0.000 2.420 1081 N HA 0.015 4.756 4.740 0.001 0.000 0.262 1081 N C 0.352 175.848 175.510 -0.025 0.000 1.144 1081 N CA 0.324 53.352 53.050 -0.037 0.000 0.952 1081 N CB 1.522 39.983 38.487 -0.044 0.000 1.081 1081 N HN 0.195 nan 8.380 nan 0.000 0.480 1082 A N 5.170 127.982 122.820 -0.014 0.000 2.067 1082 A HA -0.080 4.241 4.320 0.001 0.000 0.219 1082 A C 1.982 179.566 177.584 0.000 0.000 1.158 1082 A CA 0.870 52.904 52.037 -0.005 0.000 0.661 1082 A CB -0.034 18.964 19.000 -0.004 0.000 0.801 1082 A HN 0.648 nan 8.150 nan 0.000 0.452 1083 K N -0.030 120.369 120.400 -0.002 0.000 2.057 1083 K HA -0.066 4.254 4.320 0.001 0.000 0.206 1083 K C 1.805 178.411 176.600 0.011 0.000 1.050 1083 K CA 1.650 57.940 56.287 0.004 0.000 0.935 1083 K CB -0.586 31.916 32.500 0.004 0.000 0.715 1083 K HN 0.721 nan 8.250 nan 0.000 0.439 1084 L N -1.497 119.732 121.223 0.009 0.000 2.616 1084 L HA 0.265 4.605 4.340 0.001 0.000 0.229 1084 L C 2.025 178.926 176.870 0.052 0.000 1.110 1084 L CA 0.342 55.196 54.840 0.025 0.000 0.884 1084 L CB 0.089 42.157 42.059 0.014 0.000 1.115 1084 L HN -0.128 nan 8.230 nan 0.000 0.481 1085 K N 1.347 121.769 120.400 0.036 0.000 2.209 1085 K HA -0.017 4.304 4.320 0.001 0.000 0.204 1085 K C -0.726 175.928 176.600 0.090 0.000 1.048 1085 K CA 1.298 57.623 56.287 0.062 0.000 0.940 1085 K CB -0.455 32.062 32.500 0.028 0.000 0.729 1085 K HN 0.405 nan 8.250 nan 0.000 0.451 1086 P HA 0.009 nan 4.420 nan 0.000 0.245 1086 P C 1.146 178.473 177.300 0.046 0.000 1.203 1086 P CA 0.499 63.627 63.100 0.046 0.000 0.792 1086 P CB 0.353 32.067 31.700 0.024 0.000 0.997 1087 V N -0.790 119.160 119.914 0.061 0.000 2.374 1087 V HA -0.179 3.941 4.120 0.001 0.000 0.241 1087 V C 2.535 178.683 176.094 0.090 0.000 1.034 1087 V CA 1.234 63.563 62.300 0.048 0.000 1.037 1087 V CB -1.535 30.305 31.823 0.028 0.000 0.682 1087 V HN -0.048 nan 8.190 nan 0.000 0.463 1088 Y N 1.585 121.891 120.300 0.009 0.000 2.181 1088 Y HA -0.244 4.307 4.550 0.001 0.000 0.288 1088 Y C 2.353 178.272 175.900 0.031 0.000 1.146 1088 Y CA 2.066 60.183 58.100 0.028 0.000 1.164 1088 Y CB -0.229 38.246 38.460 0.024 0.000 0.982 1088 Y HN 0.301 nan 8.280 nan 0.000 0.515 1089 D N -0.746 119.726 120.400 0.119 0.000 2.144 1089 D HA -0.147 4.493 4.640 0.001 0.000 0.200 1089 D C 2.363 178.652 176.300 -0.018 0.000 0.978 1089 D CA 1.604 55.625 54.000 0.035 0.000 0.833 1089 D CB -0.351 40.503 40.800 0.089 0.000 0.961 1089 D HN 0.514 nan 8.370 nan 0.000 0.470 1090 S N 0.022 115.720 115.700 -0.002 0.000 2.453 1090 S HA -0.040 4.430 4.470 0.001 0.000 0.231 1090 S C 1.172 175.764 174.600 -0.014 0.000 1.005 1090 S CA 0.081 58.278 58.200 -0.006 0.000 0.949 1090 S CB -0.317 62.881 63.200 -0.004 0.000 0.774 1090 S HN 0.125 nan 8.310 nan 0.000 0.510 1091 L N 2.614 123.813 121.223 -0.039 0.000 2.313 1091 L HA 0.436 4.777 4.340 0.001 0.000 0.282 1091 L C 0.935 177.760 176.870 -0.074 0.000 1.092 1091 L CA -0.142 54.679 54.840 -0.032 0.000 0.831 1091 L CB 0.028 42.074 42.059 -0.022 0.000 1.159 1091 L HN 0.382 nan 8.230 nan 0.000 0.442 1092 D N 2.508 122.902 120.400 -0.010 0.000 2.349 1092 D HA 0.378 5.018 4.640 0.001 0.000 0.239 1092 D C 1.248 177.531 176.300 -0.029 0.000 1.315 1092 D CA 0.377 54.372 54.000 -0.009 0.000 0.937 1092 D CB 0.651 41.471 40.800 0.034 0.000 1.133 1092 D HN 0.749 nan 8.370 nan 0.000 0.489 1093 A N -0.708 122.098 122.820 -0.025 0.000 1.859 1093 A HA -0.054 4.267 4.320 0.001 0.000 0.217 1093 A C 2.590 180.163 177.584 -0.019 0.000 1.198 1093 A CA 2.502 54.520 52.037 -0.031 0.000 0.629 1093 A CB -0.924 18.065 19.000 -0.018 0.000 0.830 1093 A HN 0.886 nan 8.150 nan 0.000 0.446 1094 V N -0.390 119.520 119.914 -0.008 0.000 2.332 1094 V HA -0.267 3.854 4.120 0.001 0.000 0.248 1094 V C 2.712 178.803 176.094 -0.005 0.000 1.055 1094 V CA 2.530 64.821 62.300 -0.014 0.000 1.038 1094 V CB -0.630 31.186 31.823 -0.012 0.000 0.651 1094 V HN 0.573 nan 8.190 nan 0.000 0.450 1095 R N -1.272 119.258 120.500 0.050 0.000 2.200 1095 R HA 0.008 4.348 4.340 0.001 0.000 0.208 1095 R C 2.496 178.902 176.300 0.177 0.000 1.033 1095 R CA 0.604 56.792 56.100 0.146 0.000 1.000 1095 R CB -0.148 30.313 30.300 0.267 0.000 0.906 1095 R HN 0.373 nan 8.270 nan 0.000 0.462 1096 R N -0.027 120.506 120.500 0.055 0.000 2.073 1096 R HA -0.032 4.308 4.340 0.001 0.000 0.229 1096 R C 1.951 178.300 176.300 0.083 0.000 1.120 1096 R CA 1.402 57.483 56.100 -0.031 0.000 0.967 1096 R CB -0.090 30.068 30.300 -0.236 0.000 0.862 1096 R HN 0.166 nan 8.270 nan 0.000 0.436 1097 A N 0.536 123.389 122.820 0.054 0.000 1.969 1097 A HA -0.043 4.277 4.320 0.001 0.000 0.218 1097 A C 2.235 179.853 177.584 0.056 0.000 1.169 1097 A CA 1.447 53.528 52.037 0.073 0.000 0.635 1097 A CB -0.449 18.577 19.000 0.043 0.000 0.810 1097 A HN 0.474 nan 8.150 nan 0.000 0.445 1098 A N -0.560 122.244 122.820 -0.026 0.000 1.933 1098 A HA -0.019 4.301 4.320 0.001 0.000 0.218 1098 A C 2.098 179.687 177.584 0.009 0.000 1.175 1098 A CA 1.592 53.534 52.037 -0.158 0.000 0.628 1098 A CB -0.500 18.111 19.000 -0.649 0.000 0.814 1098 A HN 0.561 nan 8.150 nan 0.000 0.444 1099 L N -0.342 121.002 121.223 0.202 0.000 2.156 1099 L HA -0.024 4.316 4.340 0.001 0.000 0.208 1099 L C 2.147 179.114 176.870 0.161 0.000 1.095 1099 L CA 1.372 56.368 54.840 0.261 0.000 0.770 1099 L CB -0.254 41.999 42.059 0.323 0.000 0.914 1099 L HN 0.425 nan 8.230 nan 0.000 0.439 1100 I N -0.542 120.132 120.570 0.174 0.000 2.315 1100 I HA -0.247 3.923 4.170 0.001 0.000 0.248 1100 I C 2.139 178.340 176.117 0.141 0.000 1.117 1100 I CA 1.173 62.561 61.300 0.147 0.000 1.404 1100 I CB -0.510 37.583 38.000 0.155 0.000 1.071 1100 I HN 0.337 nan 8.210 nan 0.000 0.419 1101 N N 1.004 119.780 118.700 0.128 0.000 2.289 1101 N HA -0.178 4.562 4.740 0.001 0.000 0.184 1101 N C 1.819 177.411 175.510 0.136 0.000 1.016 1101 N CA 1.403 54.535 53.050 0.136 0.000 0.872 1101 N CB -0.086 38.461 38.487 0.100 0.000 0.973 1101 N HN 0.265 nan 8.380 nan 0.000 0.433 1102 M N -0.857 118.788 119.600 0.075 0.000 2.236 1102 M HA -0.046 4.434 4.480 0.001 0.000 0.266 1102 M C 1.534 177.818 176.300 -0.027 0.000 1.070 1102 M CA 0.692 55.968 55.300 -0.041 0.000 1.137 1102 M CB 0.179 32.688 32.600 -0.152 0.000 1.378 1102 M HN -0.000 nan 8.290 nan 0.000 0.426 1103 V N -0.065 119.871 119.914 0.036 0.000 2.270 1103 V HA -0.292 3.829 4.120 0.001 0.000 0.245 1103 V C 2.016 178.150 176.094 0.066 0.000 1.043 1103 V CA 1.882 64.200 62.300 0.031 0.000 1.014 1103 V CB -0.774 31.065 31.823 0.027 0.000 0.645 1103 V HN 0.419 nan 8.190 nan 0.000 0.447 1104 F N 0.201 120.157 119.950 0.009 0.000 2.250 1104 F HA -0.223 4.303 4.527 -0.001 0.000 0.301 1104 F C 2.530 178.357 175.800 0.046 0.000 1.077 1104 F CA 2.120 60.137 58.000 0.029 0.000 1.348 1104 F CB 0.010 39.046 39.000 0.060 0.000 1.040 1104 F HN 0.169 nan 8.300 nan 0.000 0.509 1105 Q N -0.487 119.440 119.800 0.212 0.000 2.089 1105 Q HA -0.117 4.224 4.340 0.001 0.000 0.195 1105 Q C 1.957 178.004 176.000 0.078 0.000 0.963 1105 Q CA 1.386 57.288 55.803 0.165 0.000 0.834 1105 Q CB 0.088 28.935 28.738 0.182 0.000 0.906 1105 Q HN 0.409 nan 8.270 nan 0.000 0.452 1106 M N -0.980 118.635 119.600 0.024 0.000 2.657 1106 M HA 0.278 4.759 4.480 0.001 0.000 0.262 1106 M C 0.660 176.954 176.300 -0.011 0.000 1.213 1106 M CA 0.697 56.004 55.300 0.012 0.000 1.182 1106 M CB 1.171 33.767 32.600 -0.007 0.000 1.303 1106 M HN 0.250 nan 8.290 nan 0.000 0.501 1107 G N 1.129 109.907 108.800 -0.036 0.000 2.675 1107 G HA2 -0.146 3.815 3.960 0.001 0.000 0.686 1107 G HA3 -0.146 3.815 3.960 0.001 0.000 0.686 1107 G C -0.157 174.720 174.900 -0.038 0.000 1.215 1107 G CA -0.484 44.582 45.100 -0.057 0.000 0.777 1107 G HN 0.410 nan 8.290 nan 0.000 0.638 1108 E N -0.326 119.845 120.200 -0.048 0.000 2.253 1108 E HA -0.200 4.150 4.350 0.001 0.000 0.202 1108 E C 2.417 179.005 176.600 -0.020 0.000 1.014 1108 E CA 2.099 58.476 56.400 -0.039 0.000 0.823 1108 E CB -0.004 29.667 29.700 -0.049 0.000 0.736 1108 E HN 0.571 nan 8.360 nan 0.000 0.478 1109 T N -1.130 113.415 114.554 -0.015 0.000 3.010 1109 T HA 0.020 4.370 4.350 0.001 0.000 0.252 1109 T C 1.750 176.460 174.700 0.016 0.000 1.047 1109 T CA 0.671 62.768 62.100 -0.004 0.000 1.140 1109 T CB -0.061 68.801 68.868 -0.011 0.000 0.885 1109 T HN 0.320 nan 8.240 nan 0.000 0.464 1110 G N 2.190 111.003 108.800 0.022 0.000 2.433 1110 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 1110 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 1110 G C 1.806 176.785 174.900 0.131 0.000 1.186 1110 G CA 1.392 46.525 45.100 0.056 0.000 0.779 1110 G HN 0.507 nan 8.290 nan 0.000 0.543 1111 V N -1.100 118.870 119.914 0.094 0.000 2.626 1111 V HA 0.209 4.330 4.120 0.001 0.000 0.252 1111 V C 2.699 178.898 176.094 0.175 0.000 1.067 1111 V CA 1.673 64.034 62.300 0.102 0.000 1.081 1111 V CB -0.884 30.890 31.823 -0.081 0.000 0.686 1111 V HN 0.386 nan 8.190 nan 0.000 0.468 1112 A N 0.773 123.652 122.820 0.098 0.000 2.252 1112 A HA 0.419 4.740 4.320 0.001 0.000 0.207 1112 A C 1.918 179.549 177.584 0.078 0.000 1.194 1112 A CA 0.814 52.894 52.037 0.073 0.000 0.809 1112 A CB -0.912 18.105 19.000 0.027 0.000 0.814 1112 A HN 0.725 nan 8.150 nan 0.000 0.482 1113 G N -1.650 107.213 108.800 0.106 0.000 3.233 1113 G HA2 0.412 4.373 3.960 0.001 0.000 0.234 1113 G HA3 0.412 4.373 3.960 0.001 0.000 0.234 1113 G C 0.149 175.008 174.900 -0.068 0.000 1.137 1113 G CA -0.274 44.825 45.100 -0.001 0.000 0.763 1113 G HN 0.306 nan 8.290 nan 0.000 0.549 1118 L N 1.345 122.580 121.223 0.021 0.000 2.730 1118 L HA 0.297 4.637 4.340 0.001 0.000 0.236 1118 L C 2.267 179.114 176.870 -0.039 0.000 1.061 1118 L CA 0.163 54.986 54.840 -0.027 0.000 0.898 1118 L CB -0.097 41.971 42.059 0.014 0.000 1.270 1118 L HN 0.176 nan 8.230 nan 0.000 0.500 1119 R N 0.369 120.856 120.500 -0.021 0.000 2.189 1119 R HA -0.049 4.292 4.340 0.001 0.000 0.218 1119 R C 1.668 177.937 176.300 -0.052 0.000 1.074 1119 R CA 1.140 57.222 56.100 -0.030 0.000 0.991 1119 R CB -0.293 29.995 30.300 -0.018 0.000 0.883 1119 R HN 0.344 nan 8.270 nan 0.000 0.457 1120 M N 0.479 120.044 119.600 -0.059 0.000 2.248 1120 M HA 0.015 4.495 4.480 0.001 0.000 0.265 1120 M C 2.112 178.341 176.300 -0.117 0.000 1.079 1120 M CA 0.913 56.163 55.300 -0.082 0.000 1.150 1120 M CB -0.115 32.450 32.600 -0.057 0.000 1.366 1120 M HN 0.081 nan 8.290 nan 0.000 0.433 1121 L N 0.845 121.992 121.223 -0.127 0.000 2.141 1121 L HA -0.221 4.119 4.340 0.001 0.000 0.209 1121 L C 2.537 179.334 176.870 -0.121 0.000 1.094 1121 L CA 1.711 56.451 54.840 -0.166 0.000 0.763 1121 L CB -0.309 41.578 42.059 -0.288 0.000 0.908 1121 L HN 0.378 nan 8.230 nan 0.000 0.437 1122 Q N -1.895 117.849 119.800 -0.093 0.000 2.212 1122 Q HA -0.195 4.146 4.340 0.001 0.000 0.199 1122 Q C 2.011 177.968 176.000 -0.073 0.000 0.950 1122 Q CA 1.206 56.972 55.803 -0.063 0.000 0.863 1122 Q CB -0.579 28.137 28.738 -0.037 0.000 0.944 1122 Q HN 0.353 nan 8.270 nan 0.000 0.465 1123 Q N 1.069 120.810 119.800 -0.098 0.000 2.515 1123 Q HA 0.049 4.390 4.340 0.001 0.000 0.212 1123 Q C -0.390 175.503 176.000 -0.178 0.000 0.970 1123 Q CA 0.606 56.340 55.803 -0.116 0.000 0.941 1123 Q CB 0.024 28.693 28.738 -0.115 0.000 0.998 1123 Q HN 0.447 nan 8.270 nan 0.000 0.518 1124 K N -0.526 119.751 120.400 -0.206 0.000 3.291 1124 K HA -0.205 4.115 4.320 0.001 0.000 0.290 1124 K C -0.907 175.256 176.600 -0.729 0.000 1.235 1124 K CA 0.491 56.590 56.287 -0.315 0.000 0.848 1124 K CB -1.098 31.285 32.500 -0.195 0.000 1.295 1124 K HN 0.217 nan 8.250 nan 0.000 0.497 1125 R N 1.135 121.302 120.500 -0.555 0.000 2.296 1125 R HA 0.101 4.441 4.340 0.001 0.000 0.327 1125 R C 1.204 177.273 176.300 -0.385 0.000 1.137 1125 R CA -0.387 55.347 56.100 -0.610 0.000 1.020 1125 R CB 0.156 30.277 30.300 -0.298 0.000 1.110 1125 R HN 0.283 nan 8.270 nan 0.000 0.499 1126 W N 2.019 123.338 121.300 0.031 0.000 2.418 1126 W HA -0.076 4.584 4.660 0.000 0.000 0.319 1126 W C 0.563 177.113 176.519 0.053 0.000 1.183 1126 W CA 0.598 57.973 57.345 0.050 0.000 1.327 1126 W CB -0.450 29.055 29.460 0.074 0.000 1.163 1126 W HN 0.452 nan 8.180 nan 0.000 0.479 1127 D N 0.382 121.061 120.400 0.465 0.000 2.269 1127 D HA -0.111 4.529 4.640 0.001 0.000 0.208 1127 D C 1.923 178.321 176.300 0.163 0.000 0.963 1127 D CA 1.050 55.212 54.000 0.271 0.000 0.864 1127 D CB -0.214 40.729 40.800 0.239 0.000 0.936 1127 D HN 0.232 nan 8.370 nan 0.000 0.505 1128 E N 0.359 120.631 120.200 0.121 0.000 2.106 1128 E HA -0.109 4.242 4.350 0.001 0.000 0.192 1128 E C 2.037 178.663 176.600 0.043 0.000 0.984 1128 E CA 0.839 57.273 56.400 0.056 0.000 0.806 1128 E CB 0.001 29.706 29.700 0.009 0.000 0.750 1128 E HN 0.279 nan 8.360 nan 0.000 0.458 1129 A N 1.316 124.160 122.820 0.039 0.000 1.935 1129 A HA 0.099 4.419 4.320 0.001 0.000 0.214 1129 A C 2.354 179.978 177.584 0.067 0.000 1.178 1129 A CA 1.127 53.175 52.037 0.019 0.000 0.640 1129 A CB -0.338 18.629 19.000 -0.054 0.000 0.825 1129 A HN 0.255 nan 8.150 nan 0.000 0.447 1130 A N 0.275 123.165 122.820 0.116 0.000 1.883 1130 A HA -0.080 4.240 4.320 0.001 0.000 0.217 1130 A C 2.302 179.949 177.584 0.105 0.000 1.186 1130 A CA 2.441 54.576 52.037 0.164 0.000 0.624 1130 A CB -1.320 17.796 19.000 0.193 0.000 0.822 1130 A HN 1.129 nan 8.150 nan 0.000 0.444 1131 V N -1.586 118.368 119.914 0.066 0.000 2.626 1131 V HA -0.204 3.916 4.120 0.001 0.000 0.252 1131 V C 1.874 177.968 176.094 0.001 0.000 1.067 1131 V CA 2.295 64.602 62.300 0.011 0.000 1.081 1131 V CB -1.303 30.529 31.823 0.015 0.000 0.686 1131 V HN 0.664 nan 8.190 nan 0.000 0.468 1132 N N 0.250 118.979 118.700 0.047 0.000 2.216 1132 N HA -0.027 4.713 4.740 0.001 0.000 0.183 1132 N C 1.879 177.472 175.510 0.139 0.000 1.017 1132 N CA 1.205 54.298 53.050 0.072 0.000 0.861 1132 N CB -0.112 38.420 38.487 0.075 0.000 0.986 1132 N HN 0.501 nan 8.380 nan 0.000 0.428 1133 L N 0.560 121.899 121.223 0.194 0.000 2.141 1133 L HA -0.046 4.294 4.340 0.001 0.000 0.209 1133 L C 2.214 179.239 176.870 0.259 0.000 1.094 1133 L CA 0.785 55.851 54.840 0.378 0.000 0.763 1133 L CB -0.260 42.067 42.059 0.447 0.000 0.908 1133 L HN 0.201 nan 8.230 nan 0.000 0.437 1134 A N -0.877 121.904 122.820 -0.065 0.000 2.239 1134 A HA -0.115 4.206 4.320 0.001 0.000 0.209 1134 A C 1.955 179.223 177.584 -0.527 0.000 1.171 1134 A CA 0.805 52.459 52.037 -0.639 0.000 0.768 1134 A CB -0.284 18.275 19.000 -0.734 0.000 0.790 1134 A HN 0.263 nan 8.150 nan 0.000 0.478 1135 K N 0.363 120.695 120.400 -0.113 0.000 2.440 1135 K HA 0.124 4.444 4.320 0.001 0.000 0.206 1135 K C 0.306 176.959 176.600 0.088 0.000 1.025 1135 K CA 0.352 56.626 56.287 -0.022 0.000 1.135 1135 K CB 0.226 32.724 32.500 -0.003 0.000 0.856 1135 K HN 0.565 nan 8.250 nan 0.000 0.502 1136 S N -1.275 114.543 115.700 0.197 0.000 2.758 1136 S HA 0.328 4.798 4.470 0.001 0.000 0.292 1136 S C 0.810 175.580 174.600 0.283 0.000 1.131 1136 S CA -0.810 57.558 58.200 0.279 0.000 0.997 1136 S CB 1.807 65.341 63.200 0.557 0.000 1.111 1136 S HN 0.167 nan 8.310 nan 0.000 0.552 1137 R N -0.801 119.860 120.500 0.268 0.000 2.161 1137 R HA 0.134 4.474 4.340 0.001 0.000 0.213 1137 R C 1.962 178.435 176.300 0.288 0.000 1.055 1137 R CA 0.983 57.218 56.100 0.225 0.000 0.996 1137 R CB -0.432 29.963 30.300 0.159 0.000 0.901 1137 R HN 0.855 nan 8.270 nan 0.000 0.456 1138 W N -0.091 121.347 121.300 0.230 0.000 2.392 1138 W HA -0.244 4.418 4.660 0.003 0.000 0.279 1138 W C 1.409 178.057 176.519 0.215 0.000 1.225 1138 W CA 1.135 58.617 57.345 0.228 0.000 1.233 1138 W CB -0.451 29.194 29.460 0.307 0.000 1.122 1138 W HN 0.177 nan 8.180 nan 0.000 0.561 1139 Y N 2.903 123.041 120.300 -0.269 0.000 2.293 1139 Y HA -0.210 4.340 4.550 0.000 0.000 0.291 1139 Y C 2.155 177.920 175.900 -0.225 0.000 1.137 1139 Y CA 2.563 60.394 58.100 -0.449 0.000 1.202 1139 Y CB -0.762 37.554 38.460 -0.239 0.000 0.990 1139 Y HN 0.234 nan 8.280 nan 0.000 0.537 1140 N N -1.228 117.424 118.700 -0.079 0.000 2.402 1140 N HA -0.077 4.664 4.740 0.001 0.000 0.174 1140 N C 1.523 176.981 175.510 -0.088 0.000 1.027 1140 N CA 1.026 54.010 53.050 -0.110 0.000 0.891 1140 N CB -0.637 37.864 38.487 0.023 0.000 1.016 1140 N HN 0.383 nan 8.380 nan 0.000 0.439 1141 Q N -0.069 119.721 119.800 -0.017 0.000 2.020 1141 Q HA -0.040 4.301 4.340 0.001 0.000 0.202 1141 Q C 0.053 176.043 176.000 -0.016 0.000 0.982 1141 Q CA 1.694 57.511 55.803 0.023 0.000 0.838 1141 Q CB -0.086 28.720 28.738 0.113 0.000 0.899 1141 Q HN 0.606 nan 8.270 nan 0.000 0.423 1142 T N -2.271 112.243 114.554 -0.066 0.000 3.250 1142 T HA 0.317 4.667 4.350 0.001 0.000 0.391 1142 T C -2.599 171.958 174.700 -0.239 0.000 1.502 1142 T CA -1.906 60.143 62.100 -0.085 0.000 1.320 1142 T CB 1.346 70.234 68.868 0.032 0.000 1.102 1142 T HN -0.117 nan 8.240 nan 0.000 0.610 1143 P HA -0.060 nan 4.420 nan 0.000 0.214 1143 P C 1.393 178.512 177.300 -0.301 0.000 1.162 1143 P CA 1.036 63.900 63.100 -0.393 0.000 0.879 1143 P CB 0.156 31.665 31.700 -0.319 0.000 0.786 1144 N N -0.387 118.210 118.700 -0.171 0.000 2.188 1144 N HA -0.085 4.655 4.740 0.001 0.000 0.184 1144 N C 1.679 177.146 175.510 -0.072 0.000 1.018 1144 N CA 1.010 53.998 53.050 -0.104 0.000 0.858 1144 N CB -0.705 37.742 38.487 -0.067 0.000 0.989 1144 N HN 0.156 nan 8.380 nan 0.000 0.426 1145 R N 0.572 121.036 120.500 -0.060 0.000 2.148 1145 R HA 0.157 4.497 4.340 0.001 0.000 0.223 1145 R C 2.039 178.362 176.300 0.038 0.000 1.088 1145 R CA 1.131 57.238 56.100 0.013 0.000 0.985 1145 R CB -0.187 30.151 30.300 0.062 0.000 0.880 1145 R HN 0.202 nan 8.270 nan 0.000 0.451 1146 A N 0.917 123.653 122.820 -0.140 0.000 1.911 1146 A HA -0.043 4.277 4.320 0.001 0.000 0.212 1146 A C 1.945 179.458 177.584 -0.118 0.000 1.189 1146 A CA 0.740 52.586 52.037 -0.319 0.000 0.639 1146 A CB -0.206 18.116 19.000 -1.130 0.000 0.839 1146 A HN 0.157 nan 8.150 nan 0.000 0.449 1147 K N -0.003 120.344 120.400 -0.088 0.000 2.103 1147 K HA -0.177 4.143 4.320 0.001 0.000 0.207 1147 K C 2.223 178.860 176.600 0.061 0.000 1.048 1147 K CA 1.443 57.747 56.287 0.029 0.000 0.930 1147 K CB -0.158 32.344 32.500 0.003 0.000 0.716 1147 K HN 0.443 nan 8.250 nan 0.000 0.444 1148 R N -0.001 120.526 120.500 0.045 0.000 2.073 1148 R HA -0.105 4.236 4.340 0.001 0.000 0.234 1148 R C 2.332 178.660 176.300 0.046 0.000 1.134 1148 R CA 1.540 57.670 56.100 0.050 0.000 0.952 1148 R CB -0.419 29.904 30.300 0.038 0.000 0.850 1148 R HN 0.048 nan 8.270 nan 0.000 0.433 1149 V N 1.491 121.455 119.914 0.084 0.000 2.295 1149 V HA -0.249 3.871 4.120 0.001 0.000 0.246 1149 V C 2.298 178.384 176.094 -0.013 0.000 1.049 1149 V CA 1.800 64.121 62.300 0.034 0.000 1.024 1149 V CB -0.452 31.545 31.823 0.291 0.000 0.648 1149 V HN 0.249 nan 8.190 nan 0.000 0.447 1150 I N 0.300 121.018 120.570 0.248 0.000 2.163 1150 I HA -0.256 3.914 4.170 0.001 0.000 0.243 1150 I C 2.534 178.801 176.117 0.250 0.000 1.085 1150 I CA 2.051 63.569 61.300 0.363 0.000 1.347 1150 I CB -0.641 37.535 38.000 0.292 0.000 1.044 1150 I HN 0.325 nan 8.210 nan 0.000 0.408 1151 T N -0.465 114.177 114.554 0.147 0.000 2.867 1151 T HA -0.138 4.212 4.350 0.001 0.000 0.268 1151 T C 1.836 176.607 174.700 0.117 0.000 1.057 1151 T CA 1.781 63.957 62.100 0.127 0.000 1.136 1151 T CB -0.394 68.537 68.868 0.104 0.000 0.874 1151 T HN 0.379 nan 8.240 nan 0.000 0.466 1152 T N 1.755 116.319 114.554 0.017 0.000 2.867 1152 T HA 0.002 4.352 4.350 0.001 0.000 0.268 1152 T C 1.474 176.160 174.700 -0.023 0.000 1.057 1152 T CA 0.905 62.972 62.100 -0.055 0.000 1.136 1152 T CB -0.404 68.352 68.868 -0.187 0.000 0.874 1152 T HN 0.318 nan 8.240 nan 0.000 0.466 1153 F N 1.336 121.373 119.950 0.145 0.000 2.128 1153 F HA 0.165 4.691 4.527 -0.001 0.000 0.295 1153 F C 2.583 178.488 175.800 0.176 0.000 1.100 1153 F CA 0.454 58.544 58.000 0.150 0.000 1.260 1153 F CB -0.578 38.511 39.000 0.147 0.000 1.009 1153 F HN -0.066 nan 8.300 nan 0.000 0.476 1154 R N -0.426 120.281 120.500 0.345 0.000 2.083 1154 R HA -0.147 4.193 4.340 0.001 0.000 0.237 1154 R C 2.149 178.536 176.300 0.146 0.000 1.137 1154 R CA 2.382 58.620 56.100 0.230 0.000 0.951 1154 R CB -0.486 29.912 30.300 0.164 0.000 0.851 1154 R HN 0.489 nan 8.270 nan 0.000 0.434 1155 T N -5.105 109.554 114.554 0.174 0.000 3.176 1155 T HA 0.447 4.797 4.350 0.001 0.000 0.259 1155 T C 0.775 175.655 174.700 0.300 0.000 0.978 1155 T CA 0.374 62.597 62.100 0.205 0.000 1.050 1155 T CB 1.223 70.228 68.868 0.227 0.000 1.136 1155 T HN 0.407 nan 8.240 nan 0.000 0.465 1156 G N 1.039 110.006 108.800 0.278 0.000 2.291 1156 G HA2 0.209 4.170 3.960 0.001 0.000 0.249 1156 G HA3 0.209 4.170 3.960 0.001 0.000 0.249 1156 G C -0.831 174.021 174.900 -0.080 0.000 1.340 1156 G CA -0.205 44.958 45.100 0.104 0.000 1.017 1156 G HN 0.527 nan 8.290 nan 0.000 0.470 1157 T N 0.452 114.767 114.554 -0.399 0.000 4.219 1157 T HA 0.383 4.734 4.350 0.001 0.000 0.263 1157 T C -0.727 173.577 174.700 -0.661 0.000 1.217 1157 T CA 0.484 62.323 62.100 -0.435 0.000 1.145 1157 T CB -0.749 67.876 68.868 -0.404 0.000 1.298 1157 T HN 0.409 nan 8.240 nan 0.000 0.999 1158 W N 3.106 124.402 121.300 -0.005 0.000 2.148 1158 W HA 0.361 5.022 4.660 0.001 0.000 0.288 1158 W C -0.160 176.357 176.519 -0.004 0.000 0.920 1158 W CA -0.971 56.373 57.345 -0.001 0.000 1.904 1158 W CB 0.518 29.980 29.460 0.004 0.000 2.083 1158 W HN 0.494 nan 8.180 nan 0.000 0.398 1159 D N 0.000 120.475 120.400 0.125 0.000 6.856 1159 D HA 0.000 4.640 4.640 0.001 0.000 0.175 1159 D CA 0.000 54.046 54.000 0.077 0.000 0.868 1159 D CB 0.000 40.822 40.800 0.036 0.000 0.688 1159 D HN 0.000 nan 8.370 nan 0.000 0.683