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 1wcq_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIDAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDENKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMScDDGQT WPVSKVFQPG SMSFSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGIcA PFTIPDVALE PGQQVTVPVA VTNQSGIAVP KPSLQLDASP DATA SEQUENCE DWQVQGSVEP LMPGRQAKGQ VTITVPAGTT PGRYRVGATL RTSAGNASTT DATA SEQUENCE FTVTVGLLDQ ARMSIADVDS EETAREDGRA SNVIDGNPST FWHTEWSRAD DATA SEQUENCE APGYPHRISL DLGGTHTISG LQYTRRQNSA NEQVADYEIY TSLNGTTWDG DATA SEQUENCE PVASGRFTTS LAPQRAVFPA RDARYIRLVA LSEQTGHKYA AVAELEVEGQ DATA SEQUENCE R 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 47 G C 0.000 174.965 174.900 0.109 0.000 0.946 47 G CA 0.000 45.160 45.100 0.099 0.000 0.502 48 E N 2.325 122.591 120.200 0.111 0.000 2.223 48 E HA 0.552 4.902 4.350 0.000 0.000 0.282 48 E C -2.297 174.402 176.600 0.165 0.000 1.046 48 E CA -1.600 54.872 56.400 0.120 0.000 0.857 48 E CB 1.254 31.014 29.700 0.100 0.000 1.055 48 E HN 0.101 nan 8.360 nan 0.000 0.409 49 P HA 0.010 nan 4.420 nan 0.000 0.264 49 P C -1.234 176.244 177.300 0.298 0.000 1.193 49 P CA -0.171 63.114 63.100 0.308 0.000 0.763 49 P CB 0.411 32.306 31.700 0.325 0.000 0.810 50 L N 5.559 126.974 121.223 0.319 0.000 2.356 50 L HA 0.598 4.938 4.340 0.000 0.000 0.277 50 L C -1.752 175.171 176.870 0.090 0.000 0.996 50 L CA -0.827 54.124 54.840 0.185 0.000 0.822 50 L CB 1.138 43.266 42.059 0.114 0.000 1.256 50 L HN 0.295 nan 8.230 nan 0.000 0.413 51 Y N 3.620 123.827 120.300 -0.155 0.000 2.361 51 Y HA 0.646 5.196 4.550 0.000 0.000 0.328 51 Y C -0.900 174.900 175.900 -0.167 0.000 1.044 51 Y CA -0.253 57.614 58.100 -0.389 0.000 1.085 51 Y CB 1.808 39.711 38.460 -0.928 0.000 1.194 51 Y HN 0.739 nan 8.280 nan 0.000 0.438 52 T N 4.871 119.108 114.554 -0.528 0.000 2.900 52 T HA 0.550 4.900 4.350 0.000 0.000 0.303 52 T C -1.706 172.745 174.700 -0.415 0.000 1.142 52 T CA -0.446 61.489 62.100 -0.276 0.000 1.007 52 T CB 1.658 70.465 68.868 -0.101 0.000 1.156 52 T HN 0.772 nan 8.240 nan 0.000 0.490 53 E N 1.387 121.493 120.200 -0.156 0.000 2.331 53 E HA 0.499 4.849 4.350 0.000 0.000 0.275 53 E C -1.455 175.139 176.600 -0.009 0.000 0.895 53 E CA -0.720 55.622 56.400 -0.097 0.000 0.753 53 E CB 2.267 32.005 29.700 0.064 0.000 1.216 53 E HN 0.709 nan 8.360 nan 0.000 0.434 54 Q N 1.811 121.607 119.800 -0.007 0.000 2.353 54 Q HA 0.411 4.751 4.340 0.000 0.000 0.275 54 Q C -1.379 174.565 176.000 -0.093 0.000 1.029 54 Q CA -1.032 54.766 55.803 -0.009 0.000 0.848 54 Q CB 1.752 30.523 28.738 0.053 0.000 1.390 54 Q HN 0.226 nan 8.270 nan 0.000 0.401 55 D N 2.189 122.519 120.400 -0.118 0.000 2.414 55 D HA 0.148 4.788 4.640 0.000 0.000 0.242 55 D C 0.532 176.677 176.300 -0.258 0.000 1.129 55 D CA 0.136 54.017 54.000 -0.198 0.000 0.885 55 D CB 1.345 42.047 40.800 -0.163 0.000 1.198 55 D HN 0.578 nan 8.370 nan 0.000 0.437 56 L N 0.301 121.296 121.223 -0.380 0.000 2.575 56 L HA 0.313 4.653 4.340 0.000 0.000 0.228 56 L C 0.646 177.241 176.870 -0.459 0.000 1.075 56 L CA 0.106 54.681 54.840 -0.442 0.000 0.867 56 L CB 0.347 42.046 42.059 -0.599 0.000 1.097 56 L HN 0.285 nan 8.230 nan 0.000 0.485 57 A N 0.413 122.889 122.820 -0.573 0.000 2.437 57 A HA 0.662 4.982 4.320 0.000 0.000 0.293 57 A C -1.152 176.137 177.584 -0.493 0.000 1.038 57 A CA -0.307 51.270 52.037 -0.766 0.000 0.708 57 A CB 1.686 19.838 19.000 -1.413 0.000 1.251 57 A HN -0.156 nan 8.150 nan 0.000 0.409 58 V N 3.312 123.054 119.914 -0.287 0.000 2.448 58 V HA 0.282 4.402 4.120 0.000 0.000 0.295 58 V C -0.181 176.018 176.094 0.174 0.000 1.025 58 V CA -1.189 61.077 62.300 -0.057 0.000 0.859 58 V CB 1.615 33.412 31.823 -0.043 0.000 0.988 58 V HN 0.879 nan 8.190 nan 0.000 0.431 59 N N 3.516 122.340 118.700 0.207 0.000 2.294 59 N HA 0.134 4.874 4.740 0.000 0.000 0.263 59 N C 1.299 176.900 175.510 0.152 0.000 1.281 59 N CA 1.546 54.731 53.050 0.224 0.000 0.846 59 N CB 0.839 39.379 38.487 0.087 0.000 1.061 59 N HN 1.182 nan 8.380 nan 0.000 0.478 60 G N 1.943 110.827 108.800 0.141 0.000 2.241 60 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 60 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 60 G C 0.115 175.082 174.900 0.113 0.000 0.998 60 G CA -0.168 44.983 45.100 0.084 0.000 0.621 60 G HN 0.590 nan 8.290 nan 0.000 0.519 61 R N 0.330 120.944 120.500 0.191 0.000 2.474 61 R HA 0.573 4.913 4.340 0.000 0.000 0.295 61 R C 0.443 176.893 176.300 0.251 0.000 0.980 61 R CA -0.270 55.923 56.100 0.155 0.000 0.934 61 R CB 0.816 31.172 30.300 0.094 0.000 1.101 61 R HN 0.191 nan 8.270 nan 0.000 0.469 62 E N 0.564 120.864 120.200 0.167 0.000 3.181 62 E HA -0.211 4.139 4.350 0.000 0.000 0.293 62 E C 0.583 177.313 176.600 0.216 0.000 0.936 62 E CA 1.227 57.739 56.400 0.187 0.000 0.975 62 E CB -1.612 28.207 29.700 0.199 0.000 1.496 62 E HN 1.181 nan 8.360 nan 0.000 0.429 63 G N -1.010 107.834 108.800 0.072 0.000 2.318 63 G HA2 -0.134 3.826 3.960 0.000 0.000 0.172 63 G HA3 -0.134 3.826 3.960 0.000 0.000 0.172 63 G C -0.128 174.357 174.900 -0.691 0.000 1.002 63 G CA -0.168 44.759 45.100 -0.288 0.000 0.697 63 G HN 0.109 nan 8.290 nan 0.000 0.483 64 F N 0.411 120.323 119.950 -0.064 0.000 2.578 64 F HA 0.566 5.093 4.527 0.000 0.000 0.311 64 F C -1.572 174.055 175.800 -0.288 0.000 1.094 64 F CA -1.901 55.928 58.000 -0.285 0.000 0.923 64 F CB 2.403 41.022 39.000 -0.635 0.000 1.230 64 F HN -0.167 nan 8.300 nan 0.000 0.450 65 P HA -0.072 nan 4.420 nan 0.000 0.231 65 P C -0.501 176.745 177.300 -0.090 0.000 1.168 65 P CA 0.992 64.059 63.100 -0.055 0.000 0.779 65 P CB 0.720 32.396 31.700 -0.040 0.000 0.844 66 N N -0.998 117.583 118.700 -0.198 0.000 2.308 66 N HA 0.196 4.936 4.740 0.000 0.000 0.283 66 N C -1.917 173.367 175.510 -0.377 0.000 1.105 66 N CA -0.376 52.565 53.050 -0.181 0.000 0.840 66 N CB 1.671 40.091 38.487 -0.111 0.000 1.633 66 N HN -0.275 nan 8.380 nan 0.000 0.476 67 Y N 1.270 121.533 120.300 -0.062 0.000 2.406 67 Y HA 0.563 5.113 4.550 0.000 0.000 0.340 67 Y C 0.209 176.026 175.900 -0.138 0.000 0.975 67 Y CA -0.603 57.436 58.100 -0.102 0.000 1.056 67 Y CB 1.907 40.270 38.460 -0.162 0.000 1.210 67 Y HN 0.321 nan 8.280 nan 0.000 0.448 68 R N 2.291 122.810 120.500 0.030 0.000 2.752 68 R HA 0.627 4.967 4.340 0.000 0.000 0.271 68 R C -1.720 174.566 176.300 -0.024 0.000 1.026 68 R CA -1.136 54.924 56.100 -0.067 0.000 0.901 68 R CB 2.308 32.506 30.300 -0.170 0.000 1.243 68 R HN 0.603 nan 8.270 nan 0.000 0.463 69 I N -0.205 120.322 120.570 -0.071 0.000 6.624 69 I HA -0.113 4.057 4.170 0.000 0.000 0.126 69 I C -2.558 173.652 176.117 0.156 0.000 1.828 69 I CA -0.532 60.791 61.300 0.039 0.000 2.037 69 I CB -1.836 36.178 38.000 0.024 0.000 3.518 69 I HN 0.507 nan 8.210 nan 0.000 0.169 70 P HA 0.565 nan 4.420 nan 0.000 0.279 70 P C -0.461 176.950 177.300 0.184 0.000 1.239 70 P CA -0.107 63.109 63.100 0.193 0.000 0.789 70 P CB 2.202 34.001 31.700 0.164 0.000 0.933 71 A N 3.163 126.091 122.820 0.179 0.000 2.422 71 A HA 0.698 5.018 4.320 0.000 0.000 0.302 71 A C -1.584 176.232 177.584 0.387 0.000 1.041 71 A CA -0.666 51.482 52.037 0.185 0.000 0.708 71 A CB 1.149 20.115 19.000 -0.057 0.000 1.257 71 A HN 0.546 nan 8.150 nan 0.000 0.414 72 L N 1.508 122.999 121.223 0.447 0.000 2.431 72 L HA 0.901 5.241 4.340 0.000 0.000 0.266 72 L C -0.374 176.679 176.870 0.304 0.000 0.978 72 L CA 0.308 55.394 54.840 0.410 0.000 0.822 72 L CB 2.359 44.605 42.059 0.311 0.000 1.310 72 L HN 0.829 nan 8.230 nan 0.000 0.409 73 T N 2.646 117.240 114.554 0.065 0.000 2.812 73 T HA 0.727 5.077 4.350 0.000 0.000 0.294 73 T C -1.771 172.889 174.700 -0.067 0.000 1.159 73 T CA -0.386 61.694 62.100 -0.035 0.000 1.008 73 T CB 1.625 70.397 68.868 -0.161 0.000 1.289 73 T HN 0.379 nan 8.240 nan 0.000 0.514 74 V N 3.221 123.110 119.914 -0.042 0.000 2.409 74 V HA 0.467 4.587 4.120 0.000 0.000 0.291 74 V C 0.789 176.844 176.094 -0.064 0.000 1.020 74 V CA -0.773 61.492 62.300 -0.059 0.000 0.848 74 V CB 1.411 33.213 31.823 -0.036 0.000 0.990 74 V HN 1.138 nan 8.190 nan 0.000 0.430 75 T N 3.269 117.768 114.554 -0.092 0.000 2.855 75 T HA 0.161 4.512 4.350 0.000 0.000 0.314 75 T C -1.552 173.115 174.700 -0.055 0.000 1.077 75 T CA -1.019 61.034 62.100 -0.078 0.000 1.095 75 T CB 0.833 69.642 68.868 -0.099 0.000 0.987 75 T HN 0.444 nan 8.240 nan 0.000 0.546 76 P HA -0.086 nan 4.420 nan 0.000 0.218 76 P C 1.069 178.342 177.300 -0.045 0.000 1.146 76 P CA 0.903 63.983 63.100 -0.032 0.000 0.813 76 P CB -0.021 31.661 31.700 -0.029 0.000 0.778 77 D N -1.525 118.838 120.400 -0.061 0.000 2.221 77 D HA -0.078 4.562 4.640 0.000 0.000 0.204 77 D C 1.808 178.064 176.300 -0.073 0.000 0.982 77 D CA 1.860 55.819 54.000 -0.069 0.000 0.857 77 D CB -0.663 40.087 40.800 -0.084 0.000 0.934 77 D HN 0.204 nan 8.370 nan 0.000 0.475 78 G N 0.418 109.172 108.800 -0.077 0.000 2.175 78 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 78 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 78 G C -0.174 174.652 174.900 -0.122 0.000 0.982 78 G CA 0.149 45.196 45.100 -0.089 0.000 0.641 78 G HN 0.246 nan 8.290 nan 0.000 0.527 79 D N 0.429 120.751 120.400 -0.130 0.000 2.414 79 D HA 0.478 5.118 4.640 0.000 0.000 0.242 79 D C 0.673 176.866 176.300 -0.178 0.000 1.129 79 D CA 0.042 53.940 54.000 -0.170 0.000 0.885 79 D CB 0.971 41.681 40.800 -0.150 0.000 1.198 79 D HN 0.143 nan 8.370 nan 0.000 0.437 80 L N 1.875 122.943 121.223 -0.257 0.000 2.334 80 L HA 0.416 4.756 4.340 0.000 0.000 0.277 80 L C -0.145 176.667 176.870 -0.096 0.000 1.075 80 L CA -0.266 54.457 54.840 -0.195 0.000 0.804 80 L CB 0.757 42.660 42.059 -0.261 0.000 1.174 80 L HN 0.170 nan 8.230 nan 0.000 0.438 81 L N 2.991 124.218 121.223 0.007 0.000 2.376 81 L HA 0.793 5.133 4.340 0.000 0.000 0.275 81 L C -0.297 176.747 176.870 0.289 0.000 0.987 81 L CA -0.677 54.222 54.840 0.099 0.000 0.828 81 L CB 1.741 43.676 42.059 -0.207 0.000 1.249 81 L HN 0.705 nan 8.230 nan 0.000 0.409 82 A N 2.342 125.430 122.820 0.447 0.000 2.304 82 A HA 0.777 5.097 4.320 0.000 0.000 0.323 82 A C -0.382 177.399 177.584 0.328 0.000 1.195 82 A CA -0.381 51.876 52.037 0.367 0.000 0.826 82 A CB 1.706 20.738 19.000 0.054 0.000 1.184 82 A HN 0.580 nan 8.150 nan 0.000 0.496 83 S N 1.100 116.971 115.700 0.284 0.000 2.599 83 S HA 0.945 5.415 4.470 0.000 0.000 0.287 83 S C -1.167 173.408 174.600 -0.042 0.000 1.105 83 S CA -0.439 57.689 58.200 -0.120 0.000 0.899 83 S CB 1.011 64.007 63.200 -0.340 0.000 1.100 83 S HN 1.429 nan 8.310 nan 0.000 0.482 84 Y N -0.801 119.434 120.300 -0.108 0.000 2.774 84 Y HA 0.511 5.062 4.550 0.000 0.000 0.346 84 Y C -1.502 174.319 175.900 -0.131 0.000 1.222 84 Y CA -1.374 56.669 58.100 -0.095 0.000 1.088 84 Y CB -0.177 38.243 38.460 -0.067 0.000 1.354 84 Y HN 0.386 nan 8.280 nan 0.000 0.455 85 D N 0.814 121.245 120.400 0.051 0.000 2.350 85 D HA 0.454 5.094 4.640 0.000 0.000 0.249 85 D C 0.064 176.285 176.300 -0.132 0.000 1.119 85 D CA 0.468 54.411 54.000 -0.096 0.000 0.886 85 D CB 1.506 42.251 40.800 -0.091 0.000 1.195 85 D HN 0.964 nan 8.370 nan 0.000 0.437 86 G N 1.813 110.290 108.800 -0.538 0.000 2.320 86 G HA2 0.411 4.371 3.960 0.000 0.000 0.300 86 G HA3 0.411 4.371 3.960 0.000 0.000 0.300 86 G C -0.237 174.287 174.900 -0.626 0.000 1.126 86 G CA -0.706 43.635 45.100 -1.266 0.000 0.896 86 G HN 0.278 nan 8.290 nan 0.000 0.436 87 R N 3.724 124.026 120.500 -0.329 0.000 2.287 87 R HA 0.227 4.567 4.340 0.000 0.000 0.316 87 R C -1.917 174.405 176.300 0.038 0.000 1.050 87 R CA -1.594 54.447 56.100 -0.099 0.000 0.983 87 R CB 2.265 32.491 30.300 -0.123 0.000 1.140 87 R HN 0.324 nan 8.270 nan 0.000 0.528 88 P HA -0.114 nan 4.420 nan 0.000 0.223 88 P C 0.908 178.218 177.300 0.017 0.000 1.151 88 P CA 1.179 64.342 63.100 0.105 0.000 0.787 88 P CB 0.360 32.114 31.700 0.090 0.000 0.788 89 T N -5.973 108.580 114.554 -0.002 0.000 3.129 89 T HA 0.421 4.771 4.350 0.000 0.000 0.267 89 T C 1.335 176.014 174.700 -0.035 0.000 1.018 89 T CA 0.162 62.249 62.100 -0.021 0.000 0.903 89 T CB -0.794 68.060 68.868 -0.024 0.000 1.067 89 T HN 0.183 nan 8.240 nan 0.000 0.549 90 G N 2.374 111.148 108.800 -0.043 0.000 2.283 90 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 90 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 90 G C 0.045 174.905 174.900 -0.067 0.000 1.029 90 G CA 0.771 45.835 45.100 -0.061 0.000 0.840 90 G HN 1.116 nan 8.290 nan 0.000 0.505 91 I N -3.530 117.000 120.570 -0.067 0.000 3.002 91 I HA 0.778 4.948 4.170 0.000 0.000 0.310 91 I C 0.271 176.336 176.117 -0.087 0.000 1.087 91 I CA -1.361 59.895 61.300 -0.073 0.000 1.017 91 I CB 1.717 39.682 38.000 -0.059 0.000 1.226 91 I HN 0.044 nan 8.210 nan 0.000 0.443 92 D N 2.785 123.127 120.400 -0.096 0.000 2.372 92 D HA 0.296 4.936 4.640 0.000 0.000 0.243 92 D C 0.327 176.566 176.300 -0.102 0.000 1.297 92 D CA -0.245 53.688 54.000 -0.112 0.000 0.958 92 D CB 0.407 41.127 40.800 -0.135 0.000 1.114 92 D HN 0.884 nan 8.370 nan 0.000 0.496 93 A N -0.030 122.721 122.820 -0.116 0.000 2.561 93 A HA 0.276 4.596 4.320 0.000 0.000 0.234 93 A C -1.580 175.947 177.584 -0.094 0.000 1.055 93 A CA -0.633 51.339 52.037 -0.107 0.000 0.756 93 A CB -0.339 18.592 19.000 -0.115 0.000 0.986 93 A HN 0.643 nan 8.150 nan 0.000 0.505 94 P HA 0.129 nan 4.420 nan 0.000 0.244 94 P C 0.640 177.887 177.300 -0.087 0.000 1.632 94 P CA 0.252 63.292 63.100 -0.100 0.000 0.944 94 P CB -0.406 31.235 31.700 -0.098 0.000 1.569 95 G N 2.984 111.737 108.800 -0.078 0.000 2.368 95 G HA2 0.046 4.006 3.960 0.000 0.000 0.233 95 G HA3 0.046 4.006 3.960 0.000 0.000 0.233 95 G C -1.955 172.907 174.900 -0.063 0.000 1.267 95 G CA -0.697 44.365 45.100 -0.063 0.000 0.873 95 G HN 0.141 nan 8.290 nan 0.000 0.539 96 P HA 0.077 nan 4.420 nan 0.000 0.226 96 P C -0.460 176.849 177.300 0.015 0.000 1.783 96 P CA -0.481 62.605 63.100 -0.023 0.000 0.980 96 P CB 0.012 31.713 31.700 0.002 0.000 1.967 97 N N 0.354 119.044 118.700 -0.015 0.000 2.483 97 N HA 0.227 4.967 4.740 0.000 0.000 0.269 97 N C 0.190 175.730 175.510 0.049 0.000 1.209 97 N CA -0.041 53.004 53.050 -0.009 0.000 0.969 97 N CB 0.544 38.995 38.487 -0.061 0.000 1.173 97 N HN 0.076 nan 8.380 nan 0.000 0.475 98 S N 0.594 116.271 115.700 -0.038 0.000 2.501 98 S HA 0.504 4.974 4.470 0.000 0.000 0.301 98 S C 0.021 174.501 174.600 -0.200 0.000 1.096 98 S CA -0.747 57.423 58.200 -0.049 0.000 1.063 98 S CB 1.009 64.198 63.200 -0.018 0.000 1.042 98 S HN 0.260 nan 8.310 nan 0.000 0.494 99 I N 3.440 123.858 120.570 -0.254 0.000 2.395 99 I HA 0.373 4.543 4.170 0.000 0.000 0.289 99 I C -0.030 175.844 176.117 -0.403 0.000 1.023 99 I CA -0.049 61.010 61.300 -0.402 0.000 1.350 99 I CB -0.034 37.578 38.000 -0.647 0.000 1.409 99 I HN 0.477 nan 8.210 nan 0.000 0.507 100 L N 5.239 126.170 121.223 -0.486 0.000 2.279 100 L HA 0.641 4.981 4.340 0.000 0.000 0.262 100 L C -0.372 176.164 176.870 -0.555 0.000 1.019 100 L CA -0.767 53.781 54.840 -0.487 0.000 0.823 100 L CB 2.214 43.925 42.059 -0.579 0.000 1.358 100 L HN 0.540 nan 8.230 nan 0.000 0.432 101 Q N 0.948 120.533 119.800 -0.358 0.000 2.352 101 Q HA 0.469 4.809 4.340 0.000 0.000 0.270 101 Q C -1.846 174.155 176.000 0.002 0.000 1.006 101 Q CA -0.764 54.939 55.803 -0.166 0.000 0.880 101 Q CB 2.606 31.352 28.738 0.013 0.000 1.392 101 Q HN 0.593 nan 8.270 nan 0.000 0.401 102 R N 2.161 122.740 120.500 0.132 0.000 2.670 102 R HA 0.570 4.910 4.340 0.000 0.000 0.289 102 R C -0.810 175.739 176.300 0.415 0.000 0.965 102 R CA -0.870 55.396 56.100 0.277 0.000 0.899 102 R CB 2.426 32.910 30.300 0.306 0.000 1.173 102 R HN 0.518 nan 8.270 nan 0.000 0.456 103 R N 0.856 121.532 120.500 0.293 0.000 2.664 103 R HA 0.396 4.736 4.340 0.000 0.000 0.286 103 R C -1.077 175.111 176.300 -0.186 0.000 0.967 103 R CA -0.313 55.842 56.100 0.092 0.000 0.933 103 R CB 1.969 32.280 30.300 0.018 0.000 1.146 103 R HN 0.579 nan 8.270 nan 0.000 0.468 104 S N 0.843 116.142 115.700 -0.668 0.000 2.532 104 S HA 0.226 4.696 4.470 0.000 0.000 0.299 104 S C 0.185 174.457 174.600 -0.547 0.000 1.105 104 S CA -0.555 57.080 58.200 -0.941 0.000 1.018 104 S CB 1.540 63.590 63.200 -1.916 0.000 1.021 104 S HN 0.726 nan 8.310 nan 0.000 0.483 105 T N 0.049 114.377 114.554 -0.376 0.000 3.134 105 T HA 0.253 4.603 4.350 0.000 0.000 0.260 105 T C -0.113 174.451 174.700 -0.226 0.000 1.027 105 T CA -0.117 61.833 62.100 -0.250 0.000 0.913 105 T CB -0.320 68.448 68.868 -0.168 0.000 1.046 105 T HN 0.625 nan 8.240 nan 0.000 0.553 106 D N 0.280 120.510 120.400 -0.282 0.000 2.891 106 D HA 0.330 4.971 4.640 0.000 0.000 0.332 106 D C 1.209 177.381 176.300 -0.214 0.000 1.369 106 D CA -0.530 53.345 54.000 -0.208 0.000 0.827 106 D CB -0.254 40.447 40.800 -0.165 0.000 1.141 106 D HN 0.321 nan 8.370 nan 0.000 0.464 107 G N -0.275 108.380 108.800 -0.241 0.000 2.198 107 G HA2 -0.029 3.931 3.960 0.000 0.000 0.260 107 G HA3 -0.029 3.931 3.960 0.000 0.000 0.260 107 G C 1.153 175.940 174.900 -0.189 0.000 1.025 107 G CA 0.531 45.517 45.100 -0.190 0.000 0.769 107 G HN 1.537 nan 8.290 nan 0.000 0.507 108 G N -1.646 106.918 108.800 -0.393 0.000 2.213 108 G HA2 -0.235 3.725 3.960 0.000 0.000 0.226 108 G HA3 -0.235 3.725 3.960 0.000 0.000 0.226 108 G C 1.106 175.938 174.900 -0.115 0.000 0.992 108 G CA 0.741 45.627 45.100 -0.356 0.000 0.632 108 G HN 0.871 nan 8.290 nan 0.000 0.511 109 R N 0.968 121.391 120.500 -0.129 0.000 2.062 109 R HA 0.211 4.551 4.340 0.000 0.000 0.231 109 R C 1.774 178.091 176.300 0.030 0.000 1.136 109 R CA 2.030 58.133 56.100 0.005 0.000 0.948 109 R CB -0.357 29.929 30.300 -0.024 0.000 0.845 109 R HN 0.690 nan 8.270 nan 0.000 0.430 110 T N -3.209 111.264 114.554 -0.135 0.000 2.908 110 T HA 0.577 4.927 4.350 0.000 0.000 0.290 110 T C -1.101 173.448 174.700 -0.251 0.000 1.034 110 T CA -0.894 61.184 62.100 -0.037 0.000 1.010 110 T CB 1.594 70.440 68.868 -0.037 0.000 1.068 110 T HN 0.120 nan 8.240 nan 0.000 0.481 111 W N 0.283 121.551 121.300 -0.054 0.000 2.785 111 W HA 0.672 5.333 4.660 0.000 0.000 0.333 111 W C 0.638 177.140 176.519 -0.030 0.000 1.062 111 W CA -0.648 56.664 57.345 -0.056 0.000 1.233 111 W CB 1.902 31.323 29.460 -0.065 0.000 1.413 111 W HN 1.190 nan 8.180 nan 0.000 0.489 112 G N 0.653 109.547 108.800 0.157 0.000 2.553 112 G HA2 0.302 4.262 3.960 0.000 0.000 0.278 112 G HA3 0.302 4.262 3.960 0.000 0.000 0.278 112 G C -0.282 174.699 174.900 0.135 0.000 1.349 112 G CA -0.661 44.503 45.100 0.107 0.000 1.037 112 G HN 0.576 nan 8.290 nan 0.000 0.508 113 E N -0.788 119.470 120.200 0.096 0.000 2.415 113 E HA 0.053 4.403 4.350 0.000 0.000 0.262 113 E C 0.186 176.851 176.600 0.108 0.000 1.038 113 E CA -0.296 56.160 56.400 0.093 0.000 0.921 113 E CB 0.529 30.272 29.700 0.073 0.000 0.950 113 E HN 0.429 nan 8.360 nan 0.000 0.438 114 Q N 2.502 122.368 119.800 0.109 0.000 2.271 114 Q HA -0.025 4.315 4.340 0.000 0.000 0.273 114 Q C -0.779 175.276 176.000 0.092 0.000 1.051 114 Q CA 0.356 56.224 55.803 0.108 0.000 0.901 114 Q CB 0.576 29.402 28.738 0.147 0.000 1.174 114 Q HN 0.533 nan 8.270 nan 0.000 0.385 115 Q N 1.891 121.727 119.800 0.059 0.000 2.359 115 Q HA 0.532 4.872 4.340 0.000 0.000 0.275 115 Q C -1.040 174.968 176.000 0.014 0.000 1.082 115 Q CA -1.120 54.719 55.803 0.060 0.000 0.849 115 Q CB 2.010 30.797 28.738 0.081 0.000 1.377 115 Q HN 0.430 nan 8.270 nan 0.000 0.452 116 V N 2.000 121.930 119.914 0.027 0.000 2.385 116 V HA 0.033 4.153 4.120 0.000 0.000 0.269 116 V C 0.794 176.845 176.094 -0.070 0.000 1.043 116 V CA -0.024 62.262 62.300 -0.024 0.000 0.906 116 V CB 0.914 32.749 31.823 0.021 0.000 0.995 116 V HN 0.719 nan 8.190 nan 0.000 0.467 117 V N 3.489 123.273 119.914 -0.217 0.000 2.446 117 V HA 0.041 4.161 4.120 0.000 0.000 0.244 117 V C 0.872 176.821 176.094 -0.241 0.000 1.039 117 V CA 1.213 63.294 62.300 -0.365 0.000 1.045 117 V CB 0.332 31.698 31.823 -0.762 0.000 0.681 117 V HN 0.829 nan 8.190 nan 0.000 0.459 118 S N -0.100 115.390 115.700 -0.350 0.000 2.677 118 S HA 0.734 5.204 4.470 0.000 0.000 0.283 118 S C -0.424 173.965 174.600 -0.352 0.000 1.159 118 S CA -0.365 57.516 58.200 -0.533 0.000 1.001 118 S CB 1.656 64.377 63.200 -0.798 0.000 1.032 118 S HN 0.437 nan 8.310 nan 0.000 0.487 119 A N 2.611 125.262 122.820 -0.281 0.000 2.252 119 A HA 0.739 5.059 4.320 0.000 0.000 0.309 119 A C 0.802 178.529 177.584 0.239 0.000 1.285 119 A CA -0.424 51.610 52.037 -0.005 0.000 0.900 119 A CB -0.056 18.937 19.000 -0.012 0.000 1.157 119 A HN 0.919 nan 8.150 nan 0.000 0.536 120 G N 0.917 109.911 108.800 0.323 0.000 2.630 120 G HA2 0.379 4.340 3.960 0.000 0.000 0.236 120 G HA3 0.379 4.340 3.960 0.000 0.000 0.236 120 G C 0.005 175.019 174.900 0.189 0.000 1.248 120 G CA -0.092 45.179 45.100 0.284 0.000 0.844 120 G HN 0.867 nan 8.290 nan 0.000 0.588 121 Q N -0.510 119.370 119.800 0.134 0.000 2.347 121 Q HA 0.316 4.656 4.340 0.000 0.000 0.265 121 Q C 1.047 177.079 176.000 0.054 0.000 1.024 121 Q CA -0.342 55.517 55.803 0.093 0.000 0.731 121 Q CB 0.931 29.731 28.738 0.105 0.000 1.245 121 Q HN 0.627 nan 8.270 nan 0.000 0.472 122 T N -1.015 113.565 114.554 0.043 0.000 3.088 122 T HA 0.025 4.375 4.350 0.000 0.000 0.259 122 T C 0.678 175.386 174.700 0.012 0.000 1.122 122 T CA 0.613 62.727 62.100 0.023 0.000 1.095 122 T CB -0.170 68.708 68.868 0.015 0.000 0.930 122 T HN 0.555 nan 8.240 nan 0.000 0.508 123 T N 0.922 115.487 114.554 0.017 0.000 2.795 123 T HA 0.754 5.104 4.350 0.000 0.000 0.282 123 T C 0.167 174.877 174.700 0.015 0.000 0.980 123 T CA -0.775 61.333 62.100 0.012 0.000 1.012 123 T CB 1.459 70.335 68.868 0.013 0.000 0.936 123 T HN 0.397 nan 8.240 nan 0.000 0.457 124 A N 5.067 127.893 122.820 0.009 0.000 2.546 124 A HA 0.476 4.796 4.320 0.000 0.000 0.243 124 A C -1.350 176.244 177.584 0.017 0.000 1.063 124 A CA -1.056 50.987 52.037 0.010 0.000 0.757 124 A CB -0.749 18.253 19.000 0.004 0.000 0.991 124 A HN 0.809 nan 8.150 nan 0.000 0.503 125 P HA 0.261 nan 4.420 nan 0.000 0.281 125 P C -0.429 176.889 177.300 0.031 0.000 1.252 125 P CA -0.367 62.748 63.100 0.025 0.000 0.778 125 P CB 0.570 32.292 31.700 0.036 0.000 0.895 126 I N 3.284 123.861 120.570 0.012 0.000 2.634 126 I HA 0.121 4.291 4.170 0.000 0.000 0.284 126 I C 1.048 177.169 176.117 0.008 0.000 1.124 126 I CA 0.143 61.444 61.300 0.003 0.000 1.417 126 I CB -0.243 37.743 38.000 -0.023 0.000 1.396 126 I HN 0.368 nan 8.210 nan 0.000 0.571 127 K N 3.708 124.116 120.400 0.013 0.000 2.427 127 K HA 0.668 4.988 4.320 0.000 0.000 0.252 127 K C -0.273 176.221 176.600 -0.175 0.000 0.931 127 K CA -0.654 55.617 56.287 -0.026 0.000 0.793 127 K CB 2.511 35.084 32.500 0.122 0.000 1.211 127 K HN 0.813 nan 8.250 nan 0.000 0.426 128 G N 2.070 110.648 108.800 -0.369 0.000 2.566 128 G HA2 0.703 4.663 3.960 0.000 0.000 0.311 128 G HA3 0.703 4.663 3.960 0.000 0.000 0.311 128 G C -1.380 173.114 174.900 -0.676 0.000 1.322 128 G CA -0.483 44.393 45.100 -0.372 0.000 0.969 128 G HN 0.333 nan 8.290 nan 0.000 0.490 129 F N 1.010 121.004 119.950 0.073 0.000 2.477 129 F HA 0.754 5.281 4.527 0.000 0.000 0.335 129 F C 0.411 176.183 175.800 -0.047 0.000 1.130 129 F CA -0.846 57.190 58.000 0.061 0.000 0.948 129 F CB 2.702 41.681 39.000 -0.035 0.000 1.154 129 F HN 0.487 nan 8.300 nan 0.000 0.439 130 S N 1.426 117.211 115.700 0.142 0.000 2.547 130 S HA 0.542 5.012 4.470 0.000 0.000 0.270 130 S C -1.848 172.804 174.600 0.087 0.000 1.150 130 S CA -0.694 57.529 58.200 0.039 0.000 0.850 130 S CB 1.026 64.216 63.200 -0.016 0.000 1.118 130 S HN 0.658 nan 8.310 nan 0.000 0.461 131 D N 1.529 121.959 120.400 0.049 0.000 3.026 131 D HA -0.068 4.572 4.640 0.000 0.000 0.248 131 D C -2.681 173.682 176.300 0.105 0.000 1.100 131 D CA 0.657 54.718 54.000 0.101 0.000 0.855 131 D CB -0.566 40.325 40.800 0.152 0.000 1.011 131 D HN 0.351 nan 8.370 nan 0.000 0.423 132 P HA 0.243 nan 4.420 nan 0.000 0.275 132 P C -0.480 176.806 177.300 -0.023 0.000 1.228 132 P CA -0.230 62.855 63.100 -0.026 0.000 0.786 132 P CB 1.676 33.251 31.700 -0.208 0.000 0.927 133 S N 2.461 118.160 115.700 -0.003 0.000 2.733 133 S HA 0.413 4.883 4.470 0.000 0.000 0.294 133 S C -1.048 173.634 174.600 0.138 0.000 1.149 133 S CA -0.594 57.630 58.200 0.039 0.000 1.034 133 S CB 0.062 63.265 63.200 0.005 0.000 1.015 133 S HN 0.220 nan 8.310 nan 0.000 0.486 134 Y N 3.450 123.881 120.300 0.219 0.000 2.397 134 Y HA 0.468 5.018 4.550 0.000 0.000 0.335 134 Y C 0.322 176.419 175.900 0.329 0.000 1.213 134 Y CA -0.247 58.021 58.100 0.279 0.000 1.391 134 Y CB 0.790 39.387 38.460 0.228 0.000 1.293 134 Y HN 0.537 nan 8.280 nan 0.000 0.557 135 L N 3.543 125.157 121.223 0.651 0.000 2.482 135 L HA 0.470 4.810 4.340 0.000 0.000 0.269 135 L C -1.643 175.581 176.870 0.590 0.000 0.967 135 L CA -0.765 54.418 54.840 0.571 0.000 0.851 135 L CB 1.288 43.735 42.059 0.647 0.000 1.242 135 L HN 0.355 nan 8.230 nan 0.000 0.404 136 V N 3.078 123.231 119.914 0.398 0.000 2.432 136 V HA 0.211 4.331 4.120 0.000 0.000 0.275 136 V C -0.053 176.243 176.094 0.336 0.000 1.043 136 V CA -0.498 61.988 62.300 0.310 0.000 0.925 136 V CB 1.426 33.346 31.823 0.162 0.000 0.985 136 V HN 0.602 nan 8.190 nan 0.000 0.466 137 D N 4.919 125.548 120.400 0.381 0.000 2.374 137 D HA 0.148 4.789 4.640 0.000 0.000 0.240 137 D C 1.125 177.537 176.300 0.186 0.000 1.229 137 D CA -0.264 53.936 54.000 0.335 0.000 0.895 137 D CB 0.637 41.711 40.800 0.457 0.000 1.046 137 D HN 0.464 nan 8.370 nan 0.000 0.498 138 R N 2.559 123.149 120.500 0.150 0.000 2.313 138 R HA 0.050 4.390 4.340 0.000 0.000 0.199 138 R C 1.020 177.361 176.300 0.069 0.000 0.958 138 R CA 0.219 56.371 56.100 0.088 0.000 1.047 138 R CB 0.595 30.942 30.300 0.078 0.000 0.955 138 R HN 0.501 nan 8.270 nan 0.000 0.481 139 E N 0.353 120.608 120.200 0.091 0.000 2.099 139 E HA -0.070 4.280 4.350 0.000 0.000 0.191 139 E C 1.795 178.373 176.600 -0.037 0.000 0.962 139 E CA 1.572 57.999 56.400 0.045 0.000 0.826 139 E CB 0.233 29.997 29.700 0.107 0.000 0.788 139 E HN 0.291 nan 8.360 nan 0.000 0.461 140 T N -3.077 111.441 114.554 -0.061 0.000 3.009 140 T HA 0.195 4.545 4.350 0.000 0.000 0.258 140 T C 1.686 176.353 174.700 -0.054 0.000 1.063 140 T CA 0.762 62.798 62.100 -0.106 0.000 1.139 140 T CB 0.545 69.329 68.868 -0.140 0.000 0.890 140 T HN 0.313 nan 8.240 nan 0.000 0.471 141 G N 0.884 109.675 108.800 -0.016 0.000 2.213 141 G HA2 -0.229 3.731 3.960 0.000 0.000 0.236 141 G HA3 -0.229 3.731 3.960 0.000 0.000 0.236 141 G C 0.279 175.132 174.900 -0.078 0.000 0.991 141 G CA 0.116 45.193 45.100 -0.039 0.000 0.629 141 G HN 0.754 nan 8.290 nan 0.000 0.517 142 T N 2.829 117.329 114.554 -0.089 0.000 2.930 142 T HA 0.497 4.847 4.350 0.000 0.000 0.306 142 T C 0.614 175.132 174.700 -0.302 0.000 1.045 142 T CA 0.330 62.282 62.100 -0.247 0.000 1.134 142 T CB 1.169 69.873 68.868 -0.273 0.000 0.961 142 T HN 0.287 nan 8.240 nan 0.000 0.545 143 I N 2.854 123.172 120.570 -0.420 0.000 2.460 143 I HA 0.508 4.678 4.170 0.000 0.000 0.298 143 I C -0.387 175.555 176.117 -0.292 0.000 0.989 143 I CA -0.962 60.224 61.300 -0.189 0.000 1.173 143 I CB 1.163 39.139 38.000 -0.040 0.000 1.338 143 I HN 0.526 nan 8.210 nan 0.000 0.456 144 F N 3.332 123.517 119.950 0.393 0.000 2.546 144 F HA 0.451 4.978 4.527 0.000 0.000 0.320 144 F C 0.505 176.514 175.800 0.347 0.000 1.076 144 F CA -0.716 57.464 58.000 0.300 0.000 0.928 144 F CB 1.561 40.618 39.000 0.095 0.000 1.189 144 F HN 0.379 nan 8.300 nan 0.000 0.465 145 N N 2.736 121.588 118.700 0.253 0.000 2.576 145 N HA 0.294 5.034 4.740 0.000 0.000 0.269 145 N C -1.619 173.843 175.510 -0.080 0.000 1.058 145 N CA -0.289 52.781 53.050 0.034 0.000 0.860 145 N CB 0.658 38.936 38.487 -0.348 0.000 1.249 145 N HN 0.382 nan 8.380 nan 0.000 0.525 146 F N 3.973 123.902 119.950 -0.036 0.000 2.399 146 F HA 0.363 4.890 4.527 0.000 0.000 0.342 146 F C 1.264 177.000 175.800 -0.107 0.000 1.106 146 F CA 0.196 58.092 58.000 -0.174 0.000 1.196 146 F CB 0.757 39.648 39.000 -0.182 0.000 1.163 146 F HN 0.419 nan 8.300 nan 0.000 0.547 147 H N -0.565 118.607 119.070 0.170 0.000 2.950 147 H HA 0.463 5.019 4.556 0.000 0.000 0.307 147 H C -1.313 174.150 175.328 0.226 0.000 1.403 147 H CA -1.342 54.792 56.048 0.143 0.000 1.145 147 H CB 0.458 30.272 29.762 0.087 0.000 1.844 147 H HN 0.524 nan 8.280 nan 0.000 0.515 148 V N -0.339 119.781 119.914 0.344 0.000 2.881 148 V HA 0.281 4.401 4.120 0.000 0.000 0.303 148 V C -0.551 175.788 176.094 0.408 0.000 1.070 148 V CA -0.479 62.000 62.300 0.298 0.000 1.074 148 V CB 0.616 32.540 31.823 0.169 0.000 1.012 148 V HN 0.709 nan 8.190 nan 0.000 0.482 149 Y N 4.699 125.120 120.300 0.201 0.000 2.356 149 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 149 Y C 0.125 175.996 175.900 -0.048 0.000 0.958 149 Y CA -0.860 57.254 58.100 0.022 0.000 1.196 149 Y CB 0.862 39.461 38.460 0.232 0.000 1.137 149 Y HN 1.074 nan 8.280 nan 0.000 0.485 150 S N 4.538 120.042 115.700 -0.327 0.000 2.638 150 S HA 0.678 5.148 4.470 0.000 0.000 0.298 150 S C -0.247 174.043 174.600 -0.517 0.000 1.111 150 S CA -0.564 57.397 58.200 -0.399 0.000 1.027 150 S CB 2.843 65.913 63.200 -0.217 0.000 1.064 150 S HN 0.830 nan 8.310 nan 0.000 0.525 151 Q N 0.342 119.903 119.800 -0.398 0.000 1.845 151 Q HA 0.344 4.684 4.340 0.000 0.000 0.152 151 Q C 1.700 177.605 176.000 -0.157 0.000 0.453 151 Q CA -0.622 55.027 55.803 -0.257 0.000 0.693 151 Q CB 0.143 28.735 28.738 -0.244 0.000 0.936 151 Q HN 0.669 nan 8.270 nan 0.000 0.323 152 R N 0.146 120.567 120.500 -0.131 0.000 2.200 152 R HA 0.131 4.471 4.340 0.000 0.000 0.208 152 R C 0.226 176.469 176.300 -0.095 0.000 1.033 152 R CA 0.611 56.655 56.100 -0.093 0.000 1.000 152 R CB 0.383 30.641 30.300 -0.069 0.000 0.906 152 R HN 0.238 nan 8.270 nan 0.000 0.462 153 Q N -0.271 119.459 119.800 -0.118 0.000 2.377 153 Q HA 0.419 4.759 4.340 0.000 0.000 0.271 153 Q C -0.081 175.854 176.000 -0.108 0.000 1.077 153 Q CA -0.439 55.302 55.803 -0.104 0.000 0.820 153 Q CB 2.202 30.878 28.738 -0.104 0.000 1.347 153 Q HN 0.154 nan 8.270 nan 0.000 0.444 154 G N 0.048 108.797 108.800 -0.085 0.000 2.641 154 G HA2 0.256 4.216 3.960 0.000 0.000 0.239 154 G HA3 0.256 4.216 3.960 0.000 0.000 0.239 154 G C 0.156 175.037 174.900 -0.032 0.000 1.402 154 G CA -0.305 44.755 45.100 -0.067 0.000 1.046 154 G HN 0.503 nan 8.290 nan 0.000 0.565 155 F N 1.291 121.119 119.950 -0.203 0.000 2.075 155 F HA 0.008 4.535 4.527 0.000 0.000 0.297 155 F C 2.738 178.454 175.800 -0.139 0.000 1.113 155 F CA 2.026 59.900 58.000 -0.210 0.000 1.218 155 F CB -0.561 38.203 39.000 -0.393 0.000 0.984 155 F HN 0.304 nan 8.300 nan 0.000 0.472 156 A N -0.056 122.619 122.820 -0.241 0.000 1.940 156 A HA -0.046 4.274 4.320 0.000 0.000 0.219 156 A C 2.369 179.842 177.584 -0.184 0.000 1.176 156 A CA 1.712 53.601 52.037 -0.246 0.000 0.631 156 A CB -1.700 17.265 19.000 -0.058 0.000 0.814 156 A HN 0.535 nan 8.150 nan 0.000 0.446 157 G N -1.275 107.446 108.800 -0.132 0.000 2.838 157 G HA2 0.230 4.190 3.960 0.000 0.000 0.210 157 G HA3 0.230 4.190 3.960 0.000 0.000 0.210 157 G C 0.802 175.640 174.900 -0.103 0.000 1.153 157 G CA 0.718 45.760 45.100 -0.098 0.000 0.778 157 G HN 0.491 nan 8.290 nan 0.000 0.539 158 S N 0.286 115.911 115.700 -0.125 0.000 2.558 158 S HA 0.270 4.740 4.470 0.000 0.000 0.291 158 S C 0.583 175.128 174.600 -0.093 0.000 1.306 158 S CA -0.042 58.091 58.200 -0.112 0.000 1.056 158 S CB 0.425 63.564 63.200 -0.102 0.000 0.836 158 S HN 0.413 nan 8.310 nan 0.000 0.504 159 R N 3.213 123.667 120.500 -0.078 0.000 2.787 159 R HA 0.491 4.831 4.340 0.000 0.000 0.271 159 R C -2.593 173.686 176.300 -0.034 0.000 0.993 159 R CA -2.254 53.816 56.100 -0.050 0.000 0.993 159 R CB 0.753 31.027 30.300 -0.043 0.000 1.155 159 R HN 0.420 nan 8.270 nan 0.000 0.486 160 P HA 0.096 nan 4.420 nan 0.000 0.267 160 P C -0.442 176.859 177.300 0.002 0.000 1.201 160 P CA 0.446 63.552 63.100 0.010 0.000 0.775 160 P CB 0.558 32.268 31.700 0.017 0.000 0.854 161 G N 0.226 109.034 108.800 0.014 0.000 2.375 161 G HA2 0.222 4.182 3.960 0.000 0.000 0.663 161 G HA3 0.222 4.182 3.960 0.000 0.000 0.663 161 G C -0.003 174.920 174.900 0.039 0.000 1.391 161 G CA -0.039 45.075 45.100 0.022 0.000 0.949 161 G HN 0.654 nan 8.290 nan 0.000 0.646 162 T N -2.307 112.300 114.554 0.089 0.000 3.130 162 T HA 0.362 4.712 4.350 0.000 0.000 0.288 162 T C 0.303 175.165 174.700 0.271 0.000 0.936 162 T CA 0.929 63.131 62.100 0.170 0.000 0.897 162 T CB 0.499 69.438 68.868 0.117 0.000 1.178 162 T HN 0.733 nan 8.240 nan 0.000 0.543 163 D N 3.217 123.740 120.400 0.204 0.000 2.450 163 D HA 0.201 4.841 4.640 0.000 0.000 0.247 163 D C -1.366 175.068 176.300 0.224 0.000 1.162 163 D CA -1.570 52.533 54.000 0.172 0.000 0.879 163 D CB 1.361 42.231 40.800 0.116 0.000 1.163 163 D HN -0.001 nan 8.370 nan 0.000 0.472 164 P HA -0.135 nan 4.420 nan 0.000 0.218 164 P C 0.340 177.632 177.300 -0.014 0.000 1.146 164 P CA 1.203 64.164 63.100 -0.230 0.000 0.813 164 P CB 0.170 31.809 31.700 -0.101 0.000 0.778 165 A N -1.522 121.369 122.820 0.119 0.000 2.308 165 A HA 0.032 4.352 4.320 0.000 0.000 0.217 165 A C 0.848 178.538 177.584 0.178 0.000 1.216 165 A CA -0.056 52.078 52.037 0.162 0.000 0.864 165 A CB -0.761 18.303 19.000 0.107 0.000 0.902 165 A HN 0.011 nan 8.150 nan 0.000 0.499 166 D N 1.394 121.937 120.400 0.238 0.000 2.389 166 D HA 0.082 4.722 4.640 0.000 0.000 0.263 166 D C -1.554 174.781 176.300 0.059 0.000 1.255 166 D CA -1.549 52.532 54.000 0.135 0.000 0.914 166 D CB 1.170 42.037 40.800 0.111 0.000 1.116 166 D HN 0.160 nan 8.370 nan 0.000 0.502 167 P HA 0.004 nan 4.420 nan 0.000 0.245 167 P C 0.307 177.551 177.300 -0.095 0.000 1.212 167 P CA 0.301 63.371 63.100 -0.051 0.000 0.774 167 P CB 0.475 32.160 31.700 -0.025 0.000 0.999 168 N N -0.427 118.224 118.700 -0.081 0.000 2.230 168 N HA 0.096 4.836 4.740 0.000 0.000 0.202 168 N C -0.166 175.265 175.510 -0.132 0.000 1.119 168 N CA 0.112 53.106 53.050 -0.093 0.000 0.851 168 N CB 1.123 39.574 38.487 -0.060 0.000 0.990 168 N HN 0.042 nan 8.380 nan 0.000 0.497 169 V N 1.850 121.644 119.914 -0.200 0.000 2.435 169 V HA 0.269 4.389 4.120 0.000 0.000 0.290 169 V C -0.036 175.828 176.094 -0.383 0.000 1.030 169 V CA -0.950 61.163 62.300 -0.312 0.000 0.881 169 V CB 2.293 33.832 31.823 -0.475 0.000 0.983 169 V HN 0.009 nan 8.190 nan 0.000 0.445 170 L N 5.914 126.988 121.223 -0.248 0.000 2.342 170 L HA 0.377 4.717 4.340 0.000 0.000 0.285 170 L C 0.203 177.007 176.870 -0.109 0.000 1.095 170 L CA 0.478 55.228 54.840 -0.149 0.000 0.843 170 L CB -0.339 41.712 42.059 -0.013 0.000 1.201 170 L HN 0.589 nan 8.230 nan 0.000 0.445 171 H N 3.588 122.677 119.070 0.031 0.000 2.551 171 H HA 0.442 4.998 4.556 0.000 0.000 0.358 171 H C -0.286 175.171 175.328 0.214 0.000 1.151 171 H CA 0.061 56.194 56.048 0.141 0.000 1.374 171 H CB 1.499 31.396 29.762 0.226 0.000 1.473 171 H HN 0.719 nan 8.280 nan 0.000 0.574 172 A N 3.664 126.712 122.820 0.380 0.000 2.260 172 A HA 0.266 4.586 4.320 0.000 0.000 0.312 172 A C 0.121 177.865 177.584 0.265 0.000 1.321 172 A CA -0.569 51.674 52.037 0.343 0.000 0.928 172 A CB -0.249 18.915 19.000 0.274 0.000 1.158 172 A HN 0.637 nan 8.150 nan 0.000 0.542 173 N N -0.011 118.813 118.700 0.206 0.000 2.459 173 N HA 0.694 5.434 4.740 0.000 0.000 0.288 173 N C -1.153 174.224 175.510 -0.221 0.000 1.186 173 N CA -0.418 52.648 53.050 0.027 0.000 0.917 173 N CB 2.038 40.559 38.487 0.057 0.000 1.219 173 N HN 0.483 nan 8.380 nan 0.000 0.525 174 V N -0.425 119.305 119.914 -0.306 0.000 2.932 174 V HA 0.832 4.952 4.120 0.000 0.000 0.307 174 V C -1.524 174.421 176.094 -0.249 0.000 1.147 174 V CA -0.646 61.347 62.300 -0.512 0.000 0.951 174 V CB 1.646 32.922 31.823 -0.912 0.000 1.031 174 V HN 0.786 nan 8.190 nan 0.000 0.426 175 A N 3.873 126.584 122.820 -0.182 0.000 2.317 175 A HA 0.888 5.208 4.320 0.000 0.000 0.327 175 A C -0.105 177.597 177.584 0.196 0.000 1.178 175 A CA -0.429 51.591 52.037 -0.029 0.000 0.817 175 A CB 1.396 20.369 19.000 -0.046 0.000 1.189 175 A HN 0.919 nan 8.150 nan 0.000 0.489 176 T N 1.426 116.072 114.554 0.152 0.000 2.829 176 T HA 0.571 4.921 4.350 0.000 0.000 0.280 176 T C -0.226 174.375 174.700 -0.165 0.000 0.999 176 T CA -0.334 61.769 62.100 0.004 0.000 0.983 176 T CB 1.416 70.284 68.868 -0.000 0.000 0.968 176 T HN 0.669 nan 8.240 nan 0.000 0.446 177 S N 1.208 116.606 115.700 -0.504 0.000 2.519 177 S HA 0.475 4.945 4.470 0.000 0.000 0.309 177 S C 0.825 175.114 174.600 -0.519 0.000 1.100 177 S CA -0.674 57.066 58.200 -0.768 0.000 1.059 177 S CB 0.766 63.117 63.200 -1.416 0.000 1.008 177 S HN 0.839 nan 8.310 nan 0.000 0.478 178 T N 0.396 114.722 114.554 -0.380 0.000 3.223 178 T HA 0.270 4.620 4.350 0.000 0.000 0.259 178 T C -0.135 174.422 174.700 -0.240 0.000 1.015 178 T CA -0.137 61.803 62.100 -0.266 0.000 0.908 178 T CB -0.372 68.388 68.868 -0.181 0.000 1.054 178 T HN 0.628 nan 8.240 nan 0.000 0.567 179 D N -0.603 119.615 120.400 -0.303 0.000 2.914 179 D HA 0.272 4.912 4.640 0.000 0.000 0.349 179 D C 1.107 177.251 176.300 -0.260 0.000 1.540 179 D CA -0.316 53.538 54.000 -0.244 0.000 0.778 179 D CB -0.352 40.320 40.800 -0.213 0.000 1.213 179 D HN 0.337 nan 8.370 nan 0.000 0.451 180 G N -0.171 108.463 108.800 -0.276 0.000 2.176 180 G HA2 0.060 4.020 3.960 0.000 0.000 0.252 180 G HA3 0.060 4.020 3.960 0.000 0.000 0.252 180 G C 1.193 175.944 174.900 -0.250 0.000 1.024 180 G CA 0.575 45.541 45.100 -0.224 0.000 0.755 180 G HN 1.532 nan 8.290 nan 0.000 0.507 181 G N -1.686 106.839 108.800 -0.458 0.000 2.175 181 G HA2 -0.260 3.701 3.960 0.000 0.000 0.244 181 G HA3 -0.260 3.701 3.960 0.000 0.000 0.244 181 G C 1.280 176.017 174.900 -0.271 0.000 0.982 181 G CA 0.841 45.680 45.100 -0.434 0.000 0.641 181 G HN 1.194 nan 8.290 nan 0.000 0.527 182 L N 0.612 121.654 121.223 -0.301 0.000 2.027 182 L HA 0.188 4.528 4.340 0.000 0.000 0.206 182 L C 1.978 178.748 176.870 -0.168 0.000 1.074 182 L CA 1.977 56.725 54.840 -0.153 0.000 0.745 182 L CB -0.520 41.456 42.059 -0.138 0.000 0.898 182 L HN 0.627 nan 8.230 nan 0.000 0.433 183 T N -4.454 109.865 114.554 -0.392 0.000 2.887 183 T HA 0.504 4.854 4.350 0.000 0.000 0.292 183 T C -1.588 172.754 174.700 -0.596 0.000 1.087 183 T CA -0.673 61.263 62.100 -0.274 0.000 1.009 183 T CB 1.922 70.713 68.868 -0.128 0.000 1.203 183 T HN 0.081 nan 8.240 nan 0.000 0.518 184 W N 0.812 122.044 121.300 -0.114 0.000 3.259 184 W HA 0.578 5.238 4.660 0.000 0.000 0.331 184 W C -0.000 176.317 176.519 -0.337 0.000 1.144 184 W CA -0.670 56.531 57.345 -0.239 0.000 1.227 184 W CB 2.108 31.403 29.460 -0.274 0.000 1.371 184 W HN 1.043 nan 8.180 nan 0.000 0.491 185 S N 0.912 116.523 115.700 -0.148 0.000 2.745 185 S HA 0.777 5.247 4.470 0.000 0.000 0.292 185 S C -1.048 173.326 174.600 -0.377 0.000 1.133 185 S CA -0.616 57.487 58.200 -0.162 0.000 0.998 185 S CB 1.524 64.697 63.200 -0.044 0.000 1.087 185 S HN 0.536 nan 8.310 nan 0.000 0.551 186 H N -0.292 118.798 119.070 0.034 0.000 2.806 186 H HA 0.720 5.276 4.556 0.000 0.000 0.367 186 H C -0.239 175.081 175.328 -0.013 0.000 1.136 186 H CA -0.828 55.216 56.048 -0.007 0.000 1.178 186 H CB 1.657 31.371 29.762 -0.079 0.000 1.718 186 H HN 0.829 nan 8.280 nan 0.000 0.540 187 R N 0.842 121.390 120.500 0.080 0.000 2.764 187 R HA 0.662 5.002 4.340 0.000 0.000 0.270 187 R C -1.492 174.828 176.300 0.034 0.000 1.014 187 R CA -0.988 55.144 56.100 0.054 0.000 0.904 187 R CB 1.518 31.860 30.300 0.069 0.000 1.236 187 R HN 0.454 nan 8.270 nan 0.000 0.466 188 T N 2.348 116.923 114.554 0.035 0.000 2.770 188 T HA 0.328 4.678 4.350 0.000 0.000 0.283 188 T C 0.898 175.635 174.700 0.062 0.000 0.988 188 T CA -0.766 61.362 62.100 0.047 0.000 0.957 188 T CB 0.737 69.584 68.868 -0.035 0.000 0.930 188 T HN 0.650 nan 8.240 nan 0.000 0.443 189 I N -0.024 120.596 120.570 0.084 0.000 3.941 189 I HA 0.192 4.362 4.170 0.000 0.000 0.335 189 I C 1.590 177.767 176.117 0.100 0.000 1.402 189 I CA -0.378 60.976 61.300 0.089 0.000 1.112 189 I CB -0.417 37.623 38.000 0.067 0.000 1.043 189 I HN 0.395 nan 8.210 nan 0.000 0.395 190 T N 2.157 116.805 114.554 0.157 0.000 2.624 190 T HA -0.275 4.075 4.350 0.000 0.000 0.268 190 T C 2.131 176.904 174.700 0.122 0.000 1.041 190 T CA 2.383 64.593 62.100 0.183 0.000 1.159 190 T CB -0.302 68.784 68.868 0.364 0.000 0.863 190 T HN 0.631 nan 8.240 nan 0.000 0.434 191 A N 1.770 124.659 122.820 0.115 0.000 2.019 191 A HA -0.145 4.175 4.320 0.000 0.000 0.219 191 A C 2.057 179.668 177.584 0.046 0.000 1.164 191 A CA 1.638 53.718 52.037 0.073 0.000 0.644 191 A CB -0.501 18.540 19.000 0.069 0.000 0.805 191 A HN 0.417 nan 8.150 nan 0.000 0.449 192 D N 0.024 120.459 120.400 0.058 0.000 2.183 192 D HA -0.067 4.573 4.640 0.000 0.000 0.203 192 D C 1.550 177.865 176.300 0.025 0.000 0.969 192 D CA 1.507 55.537 54.000 0.050 0.000 0.842 192 D CB -0.222 40.638 40.800 0.100 0.000 0.957 192 D HN 0.757 nan 8.370 nan 0.000 0.484 193 I N -1.911 118.672 120.570 0.022 0.000 3.889 193 I HA 0.233 4.403 4.170 0.000 0.000 0.332 193 I C -0.439 175.719 176.117 0.067 0.000 1.493 193 I CA -0.089 61.214 61.300 0.004 0.000 1.158 193 I CB 0.375 38.311 38.000 -0.107 0.000 1.117 193 I HN -0.364 nan 8.210 nan 0.000 0.411 194 T N 3.793 118.358 114.554 0.018 0.000 3.390 194 T HA 0.355 4.705 4.350 0.000 0.000 0.351 194 T C -1.669 172.895 174.700 -0.227 0.000 1.759 194 T CA -0.689 61.399 62.100 -0.020 0.000 1.561 194 T CB 0.898 69.807 68.868 0.068 0.000 1.011 194 T HN 0.243 nan 8.240 nan 0.000 0.689 195 P HA 0.128 nan 4.420 nan 0.000 0.240 195 P C -0.102 176.898 177.300 -0.500 0.000 1.190 195 P CA 0.436 63.315 63.100 -0.367 0.000 0.781 195 P CB 0.484 31.993 31.700 -0.318 0.000 0.931 196 D N 0.713 120.588 120.400 -0.875 0.000 2.414 196 D HA 0.189 4.829 4.640 0.000 0.000 0.232 196 D C -1.831 174.202 176.300 -0.445 0.000 1.070 196 D CA -2.410 51.135 54.000 -0.759 0.000 0.839 196 D CB 1.925 42.002 40.800 -1.206 0.000 1.079 196 D HN -0.141 nan 8.370 nan 0.000 0.521 197 P HA -0.014 nan 4.420 nan 0.000 0.221 197 P C 1.196 178.488 177.300 -0.013 0.000 1.145 197 P CA 0.644 63.693 63.100 -0.085 0.000 0.795 197 P CB 0.273 31.938 31.700 -0.058 0.000 0.775 198 G N -2.321 106.479 108.800 -0.001 0.000 2.848 198 G HA2 -0.106 3.854 3.960 0.000 0.000 0.208 198 G HA3 -0.106 3.854 3.960 0.000 0.000 0.208 198 G C -0.315 174.746 174.900 0.267 0.000 1.152 198 G CA -0.252 44.912 45.100 0.108 0.000 0.789 198 G HN 0.159 nan 8.290 nan 0.000 0.531 199 W N 1.773 123.077 121.300 0.006 0.000 2.422 199 W HA 0.420 5.080 4.660 0.000 0.000 0.349 199 W C 1.401 177.917 176.519 -0.005 0.000 1.062 199 W CA -1.748 55.602 57.345 0.008 0.000 1.497 199 W CB 0.122 29.589 29.460 0.011 0.000 1.407 199 W HN 0.262 nan 8.180 nan 0.000 0.393 200 R N 0.722 121.324 120.500 0.170 0.000 2.297 200 R HA 0.253 4.593 4.340 0.000 0.000 0.197 200 R C 0.333 176.644 176.300 0.019 0.000 0.943 200 R CA 0.205 56.345 56.100 0.067 0.000 1.038 200 R CB 0.493 30.805 30.300 0.020 0.000 0.957 200 R HN 0.134 nan 8.270 nan 0.000 0.484 201 S N 0.120 115.843 115.700 0.038 0.000 2.543 201 S HA 0.493 4.963 4.470 0.000 0.000 0.274 201 S C -1.958 172.754 174.600 0.187 0.000 1.149 201 S CA -0.993 57.230 58.200 0.038 0.000 0.866 201 S CB 1.404 64.483 63.200 -0.202 0.000 1.111 201 S HN 0.482 nan 8.310 nan 0.000 0.457 202 R N 1.748 122.454 120.500 0.343 0.000 2.664 202 R HA 0.594 4.934 4.340 0.000 0.000 0.266 202 R C -1.990 174.625 176.300 0.524 0.000 1.046 202 R CA -0.766 55.578 56.100 0.406 0.000 0.885 202 R CB 0.340 30.788 30.300 0.247 0.000 1.254 202 R HN 0.732 nan 8.270 nan 0.000 0.465 203 F N -0.808 119.189 119.950 0.078 0.000 2.631 203 F HA 0.826 5.353 4.527 0.000 0.000 0.308 203 F C -0.839 174.772 175.800 -0.315 0.000 1.097 203 F CA -1.235 56.738 58.000 -0.046 0.000 0.952 203 F CB 1.729 40.604 39.000 -0.208 0.000 1.307 203 F HN 0.781 nan 8.300 nan 0.000 0.450 204 A N 1.965 124.390 122.820 -0.658 0.000 2.488 204 A HA 0.595 4.915 4.320 0.000 0.000 0.249 204 A C 0.302 177.489 177.584 -0.663 0.000 1.083 204 A CA -0.024 51.292 52.037 -1.201 0.000 0.768 204 A CB -0.261 18.231 19.000 -0.846 0.000 1.017 204 A HN 1.495 nan 8.150 nan 0.000 0.496 205 A N 3.406 125.819 122.820 -0.678 0.000 2.451 205 A HA 0.498 4.818 4.320 0.000 0.000 0.266 205 A C 0.967 178.421 177.584 -0.217 0.000 1.119 205 A CA 0.256 52.031 52.037 -0.437 0.000 0.786 205 A CB -0.491 18.271 19.000 -0.397 0.000 1.061 205 A HN 1.674 nan 8.150 nan 0.000 0.503 206 S N 2.316 117.980 115.700 -0.060 0.000 2.585 206 S HA 0.717 5.187 4.470 0.000 0.000 0.273 206 S C 0.912 175.518 174.600 0.010 0.000 1.339 206 S CA 0.133 58.347 58.200 0.023 0.000 1.028 206 S CB 1.269 64.566 63.200 0.161 0.000 0.906 206 S HN 2.382 nan 8.310 nan 0.000 0.528 207 G N 1.049 109.877 108.800 0.048 0.000 1.742 207 G HA2 0.056 4.016 3.960 0.000 0.000 0.185 207 G HA3 0.056 4.016 3.960 0.000 0.000 0.185 207 G C -0.833 174.142 174.900 0.126 0.000 1.174 207 G CA -0.086 45.064 45.100 0.083 0.000 1.276 207 G HN 1.035 nan 8.290 nan 0.000 0.424 208 E N 0.019 120.284 120.200 0.109 0.000 2.311 208 E HA 0.533 4.883 4.350 0.000 0.000 0.281 208 E C 0.245 176.916 176.600 0.118 0.000 0.905 208 E CA -0.108 56.393 56.400 0.168 0.000 0.778 208 E CB 1.194 31.020 29.700 0.208 0.000 1.240 208 E HN 0.925 nan 8.360 nan 0.000 0.410 209 G N 3.098 111.980 108.800 0.137 0.000 2.563 209 G HA2 0.610 4.570 3.960 0.000 0.000 0.283 209 G HA3 0.610 4.570 3.960 0.000 0.000 0.283 209 G C 0.002 174.996 174.900 0.156 0.000 1.309 209 G CA -0.468 44.697 45.100 0.108 0.000 1.022 209 G HN 0.592 nan 8.290 nan 0.000 0.501 210 I N -3.589 117.070 120.570 0.150 0.000 3.042 210 I HA 0.656 4.827 4.170 0.000 0.000 0.310 210 I C -0.945 175.266 176.117 0.156 0.000 1.117 210 I CA -1.163 60.222 61.300 0.141 0.000 1.003 210 I CB 2.498 40.559 38.000 0.103 0.000 1.228 210 I HN 0.458 nan 8.210 nan 0.000 0.443 211 Q N 3.337 123.216 119.800 0.131 0.000 2.316 211 Q HA 0.557 4.897 4.340 0.000 0.000 0.264 211 Q C -1.529 174.501 176.000 0.050 0.000 0.987 211 Q CA -0.841 55.031 55.803 0.114 0.000 0.852 211 Q CB 2.079 30.901 28.738 0.140 0.000 1.287 211 Q HN 0.723 nan 8.270 nan 0.000 0.448 212 L N 4.066 125.310 121.223 0.035 0.000 2.453 212 L HA 0.180 4.520 4.340 0.000 0.000 0.272 212 L C 1.183 178.025 176.870 -0.047 0.000 1.182 212 L CA -0.204 54.626 54.840 -0.017 0.000 0.858 212 L CB 0.395 42.465 42.059 0.019 0.000 1.120 212 L HN 0.660 nan 8.230 nan 0.000 0.474 213 R N 1.866 122.253 120.500 -0.188 0.000 2.282 213 R HA 0.164 4.505 4.340 0.000 0.000 0.195 213 R C -0.523 175.769 176.300 -0.012 0.000 0.909 213 R CA 0.330 56.328 56.100 -0.171 0.000 1.039 213 R CB 0.181 30.305 30.300 -0.293 0.000 1.015 213 R HN 0.381 nan 8.270 nan 0.000 0.513 214 Y N 0.140 120.468 120.300 0.046 0.000 2.549 214 Y HA 0.596 5.146 4.550 0.000 0.000 0.339 214 Y C 1.149 177.055 175.900 0.011 0.000 1.053 214 Y CA -1.080 57.037 58.100 0.028 0.000 1.105 214 Y CB 0.951 39.429 38.460 0.029 0.000 1.258 214 Y HN 0.322 nan 8.280 nan 0.000 0.478 215 G N 1.436 110.333 108.800 0.161 0.000 2.760 215 G HA2 -0.168 3.792 3.960 0.000 0.000 0.246 215 G HA3 -0.168 3.792 3.960 0.000 0.000 0.246 215 G C -1.864 173.006 174.900 -0.051 0.000 1.359 215 G CA -0.532 44.594 45.100 0.043 0.000 0.861 215 G HN 0.522 nan 8.290 nan 0.000 0.541 216 P HA -0.048 nan 4.420 nan 0.000 0.222 216 P C 0.751 177.838 177.300 -0.355 0.000 1.147 216 P CA 1.627 64.536 63.100 -0.317 0.000 0.790 216 P CB -0.069 31.343 31.700 -0.480 0.000 0.780 217 H N -0.720 118.343 119.070 -0.012 0.000 2.505 217 H HA 0.434 4.990 4.556 0.000 0.000 0.289 217 H C 0.671 175.988 175.328 -0.019 0.000 1.052 217 H CA -0.709 55.319 56.048 -0.034 0.000 1.156 217 H CB -0.206 29.512 29.762 -0.075 0.000 1.507 217 H HN 0.080 nan 8.280 nan 0.000 0.548 218 A N 0.770 123.629 122.820 0.064 0.000 2.584 218 A HA 0.308 4.628 4.320 0.000 0.000 0.239 218 A C 1.620 179.236 177.584 0.053 0.000 1.043 218 A CA 1.197 53.270 52.037 0.061 0.000 0.756 218 A CB -0.387 18.652 19.000 0.064 0.000 0.963 218 A HN 0.664 nan 8.150 nan 0.000 0.511 219 G N 1.486 110.319 108.800 0.054 0.000 2.213 219 G HA2 -0.265 3.695 3.960 0.000 0.000 0.236 219 G HA3 -0.265 3.695 3.960 0.000 0.000 0.236 219 G C 0.534 175.438 174.900 0.006 0.000 0.991 219 G CA 0.445 45.578 45.100 0.056 0.000 0.629 219 G HN 1.188 nan 8.290 nan 0.000 0.517 220 R N 0.881 121.387 120.500 0.011 0.000 2.538 220 R HA 0.390 4.730 4.340 0.000 0.000 0.282 220 R C 0.294 176.625 176.300 0.053 0.000 1.009 220 R CA -0.018 56.085 56.100 0.004 0.000 1.063 220 R CB -0.007 30.293 30.300 -0.001 0.000 0.945 220 R HN 0.314 nan 8.270 nan 0.000 0.414 221 L N 6.351 127.611 121.223 0.061 0.000 2.292 221 L HA 0.433 4.774 4.340 0.000 0.000 0.284 221 L C -0.082 176.960 176.870 0.288 0.000 1.065 221 L CA -0.542 54.411 54.840 0.188 0.000 0.806 221 L CB 1.231 43.423 42.059 0.221 0.000 1.175 221 L HN 0.578 nan 8.230 nan 0.000 0.431 222 I N 3.011 123.738 120.570 0.262 0.000 2.447 222 I HA 0.292 4.462 4.170 0.000 0.000 0.287 222 I C -0.628 175.574 176.117 0.142 0.000 1.023 222 I CA -0.552 60.894 61.300 0.243 0.000 1.083 222 I CB 2.102 40.202 38.000 0.167 0.000 1.245 222 I HN 0.522 nan 8.210 nan 0.000 0.434 223 Q N 5.540 125.376 119.800 0.060 0.000 2.331 223 Q HA 0.359 4.700 4.340 0.000 0.000 0.267 223 Q C -1.085 174.853 176.000 -0.104 0.000 1.006 223 Q CA -0.616 55.056 55.803 -0.218 0.000 0.818 223 Q CB 1.503 29.727 28.738 -0.857 0.000 1.276 223 Q HN 0.354 nan 8.270 nan 0.000 0.450 224 Q N 2.493 122.189 119.800 -0.173 0.000 2.327 224 Q HA 0.316 4.656 4.340 0.000 0.000 0.254 224 Q C -1.038 174.779 176.000 -0.304 0.000 0.952 224 Q CA 0.302 56.015 55.803 -0.150 0.000 0.884 224 Q CB 0.721 29.352 28.738 -0.179 0.000 1.224 224 Q HN 0.657 nan 8.270 nan 0.000 0.422 225 Y N -0.767 119.365 120.300 -0.281 0.000 2.576 225 Y HA 0.417 4.967 4.550 0.000 0.000 0.346 225 Y C 0.041 175.691 175.900 -0.416 0.000 1.018 225 Y CA -0.633 57.252 58.100 -0.358 0.000 1.050 225 Y CB 2.224 40.536 38.460 -0.245 0.000 1.280 225 Y HN 0.356 nan 8.280 nan 0.000 0.474 226 T N 3.693 117.993 114.554 -0.423 0.000 2.888 226 T HA 0.706 5.056 4.350 0.000 0.000 0.284 226 T C -0.987 173.614 174.700 -0.165 0.000 1.017 226 T CA -0.471 61.405 62.100 -0.374 0.000 1.022 226 T CB 0.895 69.382 68.868 -0.635 0.000 1.013 226 T HN 0.440 nan 8.240 nan 0.000 0.465 227 I N -0.668 119.810 120.570 -0.153 0.000 3.002 227 I HA 0.718 4.888 4.170 0.000 0.000 0.310 227 I C -1.194 174.847 176.117 -0.127 0.000 1.087 227 I CA -1.297 59.896 61.300 -0.179 0.000 1.017 227 I CB 1.419 39.010 38.000 -0.681 0.000 1.226 227 I HN 0.563 nan 8.210 nan 0.000 0.443 228 I N 3.907 124.393 120.570 -0.140 0.000 2.355 228 I HA 0.385 4.555 4.170 0.000 0.000 0.288 228 I C -0.317 175.783 176.117 -0.029 0.000 0.999 228 I CA -0.673 60.564 61.300 -0.106 0.000 1.163 228 I CB 1.070 38.928 38.000 -0.236 0.000 1.316 228 I HN 0.830 nan 8.210 nan 0.000 0.454 229 N N 5.546 124.258 118.700 0.021 0.000 2.374 229 N HA 0.234 4.974 4.740 0.000 0.000 0.284 229 N C 0.867 176.460 175.510 0.139 0.000 1.280 229 N CA -0.242 52.890 53.050 0.137 0.000 0.963 229 N CB 0.582 39.159 38.487 0.151 0.000 1.141 229 N HN 0.575 nan 8.380 nan 0.000 0.565 230 A N -1.332 121.582 122.820 0.156 0.000 2.067 230 A HA 0.243 4.563 4.320 0.000 0.000 0.217 230 A C 1.913 179.542 177.584 0.076 0.000 1.156 230 A CA 1.206 53.304 52.037 0.101 0.000 0.683 230 A CB -1.157 17.897 19.000 0.091 0.000 0.808 230 A HN 0.836 nan 8.150 nan 0.000 0.455 231 A N -1.461 121.407 122.820 0.080 0.000 2.235 231 A HA 0.396 4.716 4.320 0.000 0.000 0.208 231 A C 1.806 179.428 177.584 0.063 0.000 1.172 231 A CA 1.154 53.228 52.037 0.061 0.000 0.786 231 A CB -0.927 18.107 19.000 0.057 0.000 0.804 231 A HN 1.768 nan 8.150 nan 0.000 0.479 232 G N -1.816 107.032 108.800 0.080 0.000 2.155 232 G HA2 0.039 3.999 3.960 0.000 0.000 0.257 232 G HA3 0.039 3.999 3.960 0.000 0.000 0.257 232 G C 0.425 175.408 174.900 0.139 0.000 0.983 232 G CA 0.467 45.627 45.100 0.100 0.000 0.676 232 G HN 1.585 nan 8.290 nan 0.000 0.528 233 A N -0.198 122.696 122.820 0.124 0.000 2.371 233 A HA 0.701 5.021 4.320 0.000 0.000 0.257 233 A C -0.022 177.750 177.584 0.313 0.000 1.089 233 A CA -0.246 51.870 52.037 0.133 0.000 0.794 233 A CB 0.309 19.355 19.000 0.077 0.000 1.029 233 A HN 0.551 nan 8.150 nan 0.000 0.488 234 F N 1.139 121.098 119.950 0.015 0.000 2.411 234 F HA 0.398 4.925 4.527 0.000 0.000 0.350 234 F C 0.877 176.666 175.800 -0.019 0.000 1.114 234 F CA -0.380 57.647 58.000 0.044 0.000 1.135 234 F CB 1.027 40.101 39.000 0.124 0.000 1.120 234 F HN 0.567 nan 8.300 nan 0.000 0.495 235 Q N 1.403 121.243 119.800 0.067 0.000 2.433 235 Q HA 0.804 5.144 4.340 0.000 0.000 0.279 235 Q C -0.930 174.991 176.000 -0.131 0.000 1.105 235 Q CA -1.294 54.475 55.803 -0.057 0.000 0.815 235 Q CB 3.026 31.674 28.738 -0.151 0.000 1.403 235 Q HN 0.687 nan 8.270 nan 0.000 0.435 236 A N 0.979 123.715 122.820 -0.140 0.000 2.295 236 A HA 0.784 5.104 4.320 0.000 0.000 0.318 236 A C -1.007 176.471 177.584 -0.177 0.000 1.134 236 A CA -0.517 51.410 52.037 -0.184 0.000 0.827 236 A CB 1.446 20.320 19.000 -0.211 0.000 1.136 236 A HN 0.399 nan 8.150 nan 0.000 0.493 237 V N 1.234 121.062 119.914 -0.142 0.000 3.000 237 V HA 0.532 4.653 4.120 0.000 0.000 0.300 237 V C -0.460 175.671 176.094 0.062 0.000 1.251 237 V CA -0.439 61.843 62.300 -0.031 0.000 0.972 237 V CB 2.555 34.340 31.823 -0.063 0.000 1.065 237 V HN 1.004 nan 8.190 nan 0.000 0.431 238 S N 3.944 119.762 115.700 0.196 0.000 2.537 238 S HA 0.687 5.157 4.470 0.000 0.000 0.275 238 S C -0.505 174.294 174.600 0.332 0.000 1.272 238 S CA -0.403 57.965 58.200 0.278 0.000 1.050 238 S CB 1.509 64.941 63.200 0.387 0.000 0.961 238 S HN 0.647 nan 8.310 nan 0.000 0.496 239 V N 4.712 124.795 119.914 0.282 0.000 2.459 239 V HA 0.628 4.748 4.120 0.000 0.000 0.295 239 V C -1.031 175.301 176.094 0.398 0.000 1.029 239 V CA -0.580 61.840 62.300 0.199 0.000 0.874 239 V CB 0.843 32.685 31.823 0.032 0.000 0.985 239 V HN 0.888 nan 8.190 nan 0.000 0.438 240 Y N 1.867 122.371 120.300 0.340 0.000 2.597 240 Y HA 0.823 5.373 4.550 0.000 0.000 0.340 240 Y C -0.532 175.387 175.900 0.031 0.000 1.097 240 Y CA -1.111 57.139 58.100 0.251 0.000 1.037 240 Y CB 1.908 40.428 38.460 0.101 0.000 1.305 240 Y HN 0.414 nan 8.280 nan 0.000 0.463 241 S N 0.452 116.024 115.700 -0.212 0.000 2.521 241 S HA 0.418 4.888 4.470 0.000 0.000 0.295 241 S C -0.920 173.504 174.600 -0.294 0.000 1.098 241 S CA -0.596 57.230 58.200 -0.624 0.000 0.999 241 S CB 1.060 63.297 63.200 -1.605 0.000 1.034 241 S HN 0.793 nan 8.310 nan 0.000 0.483 242 D N 2.077 122.342 120.400 -0.226 0.000 2.431 242 D HA 0.154 4.794 4.640 0.000 0.000 0.213 242 D C -0.418 175.717 176.300 -0.275 0.000 1.130 242 D CA 0.203 54.097 54.000 -0.178 0.000 0.834 242 D CB 0.560 41.334 40.800 -0.043 0.000 0.985 242 D HN 0.712 nan 8.370 nan 0.000 0.504 243 D N -0.787 119.424 120.400 -0.314 0.000 2.891 243 D HA 0.037 4.677 4.640 0.000 0.000 0.332 243 D C 0.109 176.324 176.300 -0.141 0.000 1.369 243 D CA -0.638 53.234 54.000 -0.213 0.000 0.827 243 D CB -0.507 40.237 40.800 -0.093 0.000 1.141 243 D HN -0.036 nan 8.370 nan 0.000 0.464 244 H N 0.002 119.017 119.070 -0.092 0.000 2.899 244 H HA -0.147 4.409 4.556 0.000 0.000 0.282 244 H C 1.432 176.807 175.328 0.079 0.000 1.198 244 H CA 1.214 57.271 56.048 0.015 0.000 1.140 244 H CB -1.517 28.288 29.762 0.073 0.000 1.317 244 H HN 0.698 nan 8.280 nan 0.000 0.375 245 G N -0.719 107.939 108.800 -0.236 0.000 2.194 245 G HA2 -0.365 3.595 3.960 0.000 0.000 0.236 245 G HA3 -0.365 3.595 3.960 0.000 0.000 0.236 245 G C 1.370 176.252 174.900 -0.029 0.000 0.987 245 G CA 0.534 45.482 45.100 -0.254 0.000 0.635 245 G HN 0.510 nan 8.290 nan 0.000 0.520 246 R N 0.623 121.103 120.500 -0.034 0.000 2.083 246 R HA 0.090 4.430 4.340 0.000 0.000 0.237 246 R C 1.495 177.780 176.300 -0.024 0.000 1.137 246 R CA 1.869 57.987 56.100 0.031 0.000 0.951 246 R CB -0.331 29.985 30.300 0.026 0.000 0.851 246 R HN 0.661 nan 8.270 nan 0.000 0.434 247 T N -2.997 111.423 114.554 -0.223 0.000 2.907 247 T HA 0.523 4.873 4.350 0.000 0.000 0.292 247 T C -1.195 173.257 174.700 -0.414 0.000 1.043 247 T CA -0.931 61.083 62.100 -0.144 0.000 1.003 247 T CB 1.769 70.586 68.868 -0.085 0.000 1.084 247 T HN 0.166 nan 8.240 nan 0.000 0.483 248 W N 0.932 122.210 121.300 -0.038 0.000 3.033 248 W HA 0.733 5.393 4.660 0.000 0.000 0.336 248 W C -0.059 176.376 176.519 -0.141 0.000 1.173 248 W CA -0.888 56.412 57.345 -0.074 0.000 1.185 248 W CB 2.072 31.531 29.460 -0.001 0.000 1.425 248 W HN 1.091 nan 8.180 nan 0.000 0.536 249 R N 1.008 121.472 120.500 -0.060 0.000 2.799 249 R HA 0.961 5.301 4.340 0.000 0.000 0.270 249 R C -1.195 174.953 176.300 -0.253 0.000 1.010 249 R CA -1.240 54.753 56.100 -0.178 0.000 0.916 249 R CB 1.317 31.453 30.300 -0.274 0.000 1.228 249 R HN 0.449 nan 8.270 nan 0.000 0.469 250 A N 0.780 123.533 122.820 -0.111 0.000 2.304 250 A HA 0.688 5.008 4.320 0.000 0.000 0.301 250 A C 0.275 177.917 177.584 0.096 0.000 1.132 250 A CA -0.047 52.009 52.037 0.031 0.000 0.819 250 A CB 0.972 20.105 19.000 0.222 0.000 1.094 250 A HN 0.864 nan 8.150 nan 0.000 0.492 251 G N 0.122 109.085 108.800 0.272 0.000 2.714 251 G HA2 0.480 4.440 3.960 0.000 0.000 0.197 251 G HA3 0.480 4.440 3.960 0.000 0.000 0.197 251 G C -0.322 174.657 174.900 0.132 0.000 1.449 251 G CA -0.538 44.732 45.100 0.283 0.000 1.065 251 G HN 0.771 nan 8.290 nan 0.000 0.575 252 E N 0.148 120.314 120.200 -0.058 0.000 2.259 252 E HA 0.473 4.823 4.350 0.000 0.000 0.281 252 E C 0.198 176.895 176.600 0.162 0.000 1.027 252 E CA -0.471 55.965 56.400 0.060 0.000 0.838 252 E CB 1.526 31.186 29.700 -0.067 0.000 1.066 252 E HN 0.534 nan 8.360 nan 0.000 0.401 253 A N 2.791 125.752 122.820 0.236 0.000 2.445 253 A HA 0.295 4.615 4.320 0.000 0.000 0.242 253 A C -0.323 177.305 177.584 0.072 0.000 1.075 253 A CA -0.324 51.765 52.037 0.087 0.000 0.777 253 A CB 0.792 19.789 19.000 -0.004 0.000 1.013 253 A HN 0.403 nan 8.150 nan 0.000 0.493 254 V N 1.658 121.577 119.914 0.008 0.000 2.789 254 V HA 0.757 4.877 4.120 0.000 0.000 0.311 254 V C 0.313 176.398 176.094 -0.015 0.000 1.073 254 V CA 1.008 63.320 62.300 0.021 0.000 0.921 254 V CB 1.281 33.131 31.823 0.044 0.000 1.009 254 V HN 2.706 nan 8.190 nan 0.000 0.426 255 G N 3.951 112.757 108.800 0.010 0.000 2.795 255 G HA2 0.203 4.163 3.960 0.000 0.000 0.664 255 G HA3 0.203 4.163 3.960 0.000 0.000 0.664 255 G C -0.786 174.122 174.900 0.013 0.000 1.381 255 G CA -0.038 45.065 45.100 0.005 0.000 0.853 255 G HN 2.026 nan 8.290 nan 0.000 0.545 256 V N -2.613 117.310 119.914 0.015 0.000 3.074 256 V HA 0.960 5.080 4.120 0.000 0.000 0.314 256 V C 1.503 177.608 176.094 0.018 0.000 1.117 256 V CA 0.141 62.455 62.300 0.023 0.000 1.014 256 V CB 1.070 32.902 31.823 0.015 0.000 1.057 256 V HN 3.056 nan 8.190 nan 0.000 0.438 257 G N 1.583 110.392 108.800 0.014 0.000 2.249 257 G HA2 -0.168 3.792 3.960 0.000 0.000 0.273 257 G HA3 -0.168 3.792 3.960 0.000 0.000 0.273 257 G C -0.008 174.922 174.900 0.050 0.000 1.036 257 G CA 0.784 45.880 45.100 -0.006 0.000 0.824 257 G HN 0.703 nan 8.290 nan 0.000 0.504 258 M N -0.662 119.002 119.600 0.105 0.000 2.363 258 M HA 0.701 5.181 4.480 0.000 0.000 0.280 258 M C 0.485 176.898 176.300 0.189 0.000 1.182 258 M CA -0.438 54.916 55.300 0.091 0.000 0.974 258 M CB 0.877 33.492 32.600 0.025 0.000 1.452 258 M HN 0.270 nan 8.290 nan 0.000 0.507 259 D N -0.921 119.524 120.400 0.076 0.000 2.992 259 D HA 0.125 4.766 4.640 0.000 0.000 0.349 259 D C -1.314 174.906 176.300 -0.134 0.000 1.393 259 D CA -0.420 53.622 54.000 0.070 0.000 0.887 259 D CB 0.880 41.779 40.800 0.166 0.000 1.447 259 D HN 0.557 nan 8.370 nan 0.000 0.524 260 E N 1.092 121.168 120.200 -0.205 0.000 3.131 260 E HA -0.033 4.317 4.350 0.000 0.000 0.258 260 E C 0.069 176.533 176.600 -0.228 0.000 0.901 260 E CA 0.805 57.019 56.400 -0.310 0.000 0.964 260 E CB -0.191 29.369 29.700 -0.233 0.000 0.903 260 E HN 0.249 nan 8.360 nan 0.000 0.537 261 N N 2.315 120.867 118.700 -0.246 0.000 2.455 261 N HA 0.455 5.195 4.740 0.000 0.000 0.278 261 N C -0.976 174.441 175.510 -0.156 0.000 1.291 261 N CA -0.995 51.950 53.050 -0.173 0.000 0.780 261 N CB 1.785 40.164 38.487 -0.179 0.000 1.520 261 N HN 0.031 nan 8.380 nan 0.000 0.486 262 K N 0.341 120.687 120.400 -0.090 0.000 2.477 262 K HA 0.544 4.864 4.320 0.000 0.000 0.255 262 K C -0.707 175.894 176.600 0.002 0.000 0.952 262 K CA -0.436 55.825 56.287 -0.043 0.000 0.826 262 K CB 1.988 34.485 32.500 -0.004 0.000 1.331 262 K HN 0.866 nan 8.250 nan 0.000 0.437 263 T N -2.569 112.006 114.554 0.035 0.000 2.907 263 T HA 0.729 5.079 4.350 0.000 0.000 0.292 263 T C -0.695 174.068 174.700 0.104 0.000 1.043 263 T CA -0.904 61.248 62.100 0.086 0.000 1.003 263 T CB 1.763 70.703 68.868 0.120 0.000 1.084 263 T HN 0.267 nan 8.240 nan 0.000 0.483 264 V N 0.504 120.492 119.914 0.123 0.000 3.012 264 V HA 0.578 4.698 4.120 0.000 0.000 0.307 264 V C -1.181 174.979 176.094 0.110 0.000 1.166 264 V CA -0.878 61.493 62.300 0.119 0.000 0.974 264 V CB 2.035 33.944 31.823 0.144 0.000 1.040 264 V HN 1.143 nan 8.190 nan 0.000 0.428 265 E N 4.680 124.929 120.200 0.081 0.000 2.200 265 E HA 0.494 4.844 4.350 0.000 0.000 0.283 265 E C -0.893 175.772 176.600 0.109 0.000 1.015 265 E CA -0.486 55.955 56.400 0.068 0.000 0.819 265 E CB 1.163 30.846 29.700 -0.027 0.000 1.081 265 E HN 0.653 nan 8.360 nan 0.000 0.397 266 L N 2.757 124.067 121.223 0.144 0.000 2.456 266 L HA 0.104 4.444 4.340 0.000 0.000 0.257 266 L C 1.903 178.924 176.870 0.252 0.000 1.162 266 L CA -0.220 54.715 54.840 0.159 0.000 0.808 266 L CB 1.078 43.205 42.059 0.114 0.000 1.136 266 L HN 0.730 nan 8.230 nan 0.000 0.466 267 S N -0.388 115.431 115.700 0.199 0.000 2.441 267 S HA -0.209 4.261 4.470 0.000 0.000 0.242 267 S C 0.947 175.586 174.600 0.065 0.000 1.018 267 S CA 1.471 59.779 58.200 0.180 0.000 0.988 267 S CB -0.456 62.791 63.200 0.079 0.000 0.778 267 S HN 0.864 nan 8.310 nan 0.000 0.498 268 D N -0.638 119.812 120.400 0.083 0.000 2.395 268 D HA 0.319 4.959 4.640 0.000 0.000 0.213 268 D C 1.340 177.700 176.300 0.100 0.000 1.110 268 D CA 0.437 54.453 54.000 0.025 0.000 0.835 268 D CB -0.309 40.500 40.800 0.016 0.000 0.965 268 D HN 0.578 nan 8.370 nan 0.000 0.505 269 G N 0.606 109.558 108.800 0.255 0.000 2.195 269 G HA2 -0.313 3.647 3.960 0.000 0.000 0.246 269 G HA3 -0.313 3.647 3.960 0.000 0.000 0.246 269 G C 0.389 175.379 174.900 0.151 0.000 0.984 269 G CA -0.123 45.148 45.100 0.285 0.000 0.633 269 G HN 0.433 nan 8.290 nan 0.000 0.525 270 R N -0.305 120.262 120.500 0.112 0.000 2.734 270 R HA 0.424 4.764 4.340 0.000 0.000 0.266 270 R C 0.017 176.368 176.300 0.085 0.000 1.044 270 R CA 0.191 56.335 56.100 0.074 0.000 1.128 270 R CB 0.884 31.220 30.300 0.060 0.000 1.010 270 R HN 0.110 nan 8.270 nan 0.000 0.461 271 V N 4.253 124.205 119.914 0.063 0.000 2.334 271 V HA 0.171 4.291 4.120 0.000 0.000 0.281 271 V C -0.503 175.702 176.094 0.185 0.000 1.016 271 V CA -0.769 61.595 62.300 0.106 0.000 0.832 271 V CB 1.247 33.119 31.823 0.081 0.000 0.999 271 V HN 0.431 nan 8.190 nan 0.000 0.439 272 L N 6.302 127.632 121.223 0.177 0.000 2.292 272 L HA 0.598 4.938 4.340 0.000 0.000 0.284 272 L C -0.584 176.394 176.870 0.180 0.000 1.065 272 L CA 0.123 55.073 54.840 0.183 0.000 0.806 272 L CB 1.193 43.341 42.059 0.149 0.000 1.175 272 L HN 0.665 nan 8.230 nan 0.000 0.431 273 L N 5.979 127.288 121.223 0.144 0.000 2.307 273 L HA 0.558 4.898 4.340 0.000 0.000 0.284 273 L C -0.929 175.943 176.870 0.002 0.000 1.023 273 L CA -0.239 54.599 54.840 -0.004 0.000 0.810 273 L CB 1.030 42.916 42.059 -0.289 0.000 1.231 273 L HN 0.773 nan 8.230 nan 0.000 0.423 274 N N 3.155 121.856 118.700 0.001 0.000 2.480 274 N HA 0.334 5.074 4.740 0.000 0.000 0.289 274 N C -1.984 173.525 175.510 -0.001 0.000 1.073 274 N CA -0.149 52.915 53.050 0.023 0.000 0.885 274 N CB 2.089 40.631 38.487 0.092 0.000 1.421 274 N HN 0.607 nan 8.380 nan 0.000 0.503 275 S N 2.097 117.788 115.700 -0.016 0.000 2.548 275 S HA 0.449 4.920 4.470 0.000 0.000 0.286 275 S C -0.495 174.097 174.600 -0.014 0.000 1.098 275 S CA -0.802 57.374 58.200 -0.041 0.000 0.930 275 S CB 1.564 64.726 63.200 -0.063 0.000 1.070 275 S HN 0.645 nan 8.310 nan 0.000 0.480 276 R N 1.848 122.330 120.500 -0.030 0.000 2.590 276 R HA 0.129 4.469 4.340 0.000 0.000 0.274 276 R C -0.995 175.317 176.300 0.020 0.000 1.061 276 R CA 0.004 56.098 56.100 -0.009 0.000 1.081 276 R CB 0.307 30.588 30.300 -0.033 0.000 0.984 276 R HN 0.576 nan 8.270 nan 0.000 0.448 277 D N 2.299 122.720 120.400 0.034 0.000 2.443 277 D HA 0.048 4.688 4.640 0.000 0.000 0.221 277 D C 0.694 177.024 176.300 0.050 0.000 1.097 277 D CA -0.260 53.765 54.000 0.042 0.000 0.865 277 D CB 1.344 42.172 40.800 0.046 0.000 1.034 277 D HN 0.582 nan 8.370 nan 0.000 0.511 278 S N 2.396 118.139 115.700 0.071 0.000 2.474 278 S HA -0.085 4.385 4.470 0.000 0.000 0.235 278 S C 1.661 176.247 174.600 -0.023 0.000 0.997 278 S CA 0.503 58.740 58.200 0.061 0.000 0.949 278 S CB 0.001 63.279 63.200 0.130 0.000 0.766 278 S HN 0.398 nan 8.310 nan 0.000 0.517 279 A N 1.426 124.237 122.820 -0.016 0.000 2.278 279 A HA 0.358 4.678 4.320 0.000 0.000 0.212 279 A C 0.847 178.449 177.584 0.030 0.000 1.213 279 A CA -0.335 51.696 52.037 -0.009 0.000 0.840 279 A CB -0.562 18.436 19.000 -0.002 0.000 0.866 279 A HN 0.503 nan 8.150 nan 0.000 0.489 280 R N -0.692 119.825 120.500 0.028 0.000 3.332 280 R HA -0.165 4.175 4.340 0.000 0.000 0.263 280 R C 1.068 177.394 176.300 0.043 0.000 1.053 280 R CA 0.615 56.730 56.100 0.025 0.000 0.705 280 R CB -2.762 27.543 30.300 0.009 0.000 1.166 280 R HN 0.777 nan 8.270 nan 0.000 0.427 281 S N -0.907 114.833 115.700 0.067 0.000 2.481 281 S HA 0.072 4.542 4.470 0.000 0.000 0.231 281 S C 1.594 176.229 174.600 0.058 0.000 0.996 281 S CA 0.782 59.053 58.200 0.118 0.000 0.942 281 S CB 0.615 63.922 63.200 0.177 0.000 0.768 281 S HN 1.117 nan 8.310 nan 0.000 0.520 282 G N -0.450 108.306 108.800 -0.072 0.000 2.141 282 G HA2 -0.200 3.760 3.960 0.000 0.000 0.231 282 G HA3 -0.200 3.760 3.960 0.000 0.000 0.231 282 G C -0.153 174.356 174.900 -0.651 0.000 0.984 282 G CA 0.324 45.222 45.100 -0.336 0.000 0.660 282 G HN 0.584 nan 8.290 nan 0.000 0.525 283 Y N -0.984 119.307 120.300 -0.015 0.000 2.677 283 Y HA 0.791 5.341 4.550 0.000 0.000 0.334 283 Y C 0.570 176.454 175.900 -0.027 0.000 1.154 283 Y CA -1.456 56.626 58.100 -0.029 0.000 1.070 283 Y CB 0.730 39.167 38.460 -0.039 0.000 1.294 283 Y HN -0.006 nan 8.280 nan 0.000 0.475 284 R N 1.248 121.835 120.500 0.145 0.000 2.539 284 R HA 0.339 4.679 4.340 0.000 0.000 0.275 284 R C -0.896 175.428 176.300 0.041 0.000 1.077 284 R CA -0.562 55.574 56.100 0.059 0.000 1.097 284 R CB 0.477 30.771 30.300 -0.010 0.000 1.018 284 R HN 0.625 nan 8.270 nan 0.000 0.483 285 K N 0.757 121.169 120.400 0.019 0.000 2.123 285 K HA 0.483 4.803 4.320 0.000 0.000 0.259 285 K C -0.391 176.204 176.600 -0.009 0.000 0.960 285 K CA -0.739 55.550 56.287 0.004 0.000 0.872 285 K CB 1.834 34.334 32.500 0.001 0.000 1.079 285 K HN 0.457 nan 8.250 nan 0.000 0.440 286 V N -1.584 118.327 119.914 -0.004 0.000 3.007 286 V HA 0.975 5.095 4.120 0.000 0.000 0.311 286 V C -1.321 174.787 176.094 0.023 0.000 1.120 286 V CA -0.715 61.591 62.300 0.009 0.000 0.980 286 V CB 1.686 33.526 31.823 0.028 0.000 1.033 286 V HN 0.892 nan 8.190 nan 0.000 0.429 287 A N 2.290 125.139 122.820 0.048 0.000 2.610 287 A HA 0.960 5.280 4.320 0.000 0.000 0.291 287 A C -1.338 176.370 177.584 0.206 0.000 1.086 287 A CA -0.153 51.948 52.037 0.106 0.000 0.677 287 A CB 1.889 20.936 19.000 0.079 0.000 1.278 287 A HN 2.343 nan 8.150 nan 0.000 0.414 288 V N 0.104 120.171 119.914 0.255 0.000 2.971 288 V HA 0.832 4.952 4.120 0.000 0.000 0.309 288 V C -0.490 175.672 176.094 0.114 0.000 1.130 288 V CA 0.078 62.516 62.300 0.230 0.000 0.964 288 V CB 2.182 34.075 31.823 0.116 0.000 1.029 288 V HN 1.551 nan 8.190 nan 0.000 0.427 289 S N 2.320 117.971 115.700 -0.081 0.000 2.501 289 S HA 0.615 5.085 4.470 0.000 0.000 0.301 289 S C 0.562 175.078 174.600 -0.140 0.000 1.096 289 S CA 0.203 58.192 58.200 -0.352 0.000 1.063 289 S CB 1.637 64.342 63.200 -0.824 0.000 1.042 289 S HN 1.224 nan 8.310 nan 0.000 0.494 290 T N -0.223 114.268 114.554 -0.105 0.000 3.129 290 T HA 0.253 4.603 4.350 0.000 0.000 0.267 290 T C -0.150 174.543 174.700 -0.012 0.000 1.018 290 T CA -0.150 61.931 62.100 -0.032 0.000 0.903 290 T CB -0.278 68.585 68.868 -0.008 0.000 1.067 290 T HN 0.618 nan 8.240 nan 0.000 0.549 291 D N 0.196 120.559 120.400 -0.061 0.000 2.720 291 D HA 0.326 4.966 4.640 0.000 0.000 0.285 291 D C 1.256 177.456 176.300 -0.167 0.000 1.359 291 D CA -0.400 53.589 54.000 -0.017 0.000 0.818 291 D CB -0.303 40.494 40.800 -0.006 0.000 1.108 291 D HN 0.344 nan 8.370 nan 0.000 0.474 292 G N -0.187 108.551 108.800 -0.102 0.000 2.198 292 G HA2 -0.002 3.958 3.960 0.000 0.000 0.260 292 G HA3 -0.002 3.958 3.960 0.000 0.000 0.260 292 G C 1.174 175.875 174.900 -0.331 0.000 1.025 292 G CA 0.481 45.466 45.100 -0.191 0.000 0.769 292 G HN 1.480 nan 8.290 nan 0.000 0.507 293 G N -1.703 106.902 108.800 -0.324 0.000 2.194 293 G HA2 -0.239 3.721 3.960 0.000 0.000 0.236 293 G HA3 -0.239 3.721 3.960 0.000 0.000 0.236 293 G C 0.808 175.579 174.900 -0.214 0.000 0.987 293 G CA 1.479 46.424 45.100 -0.259 0.000 0.635 293 G HN 1.756 nan 8.290 nan 0.000 0.520 294 H N 1.690 120.523 119.070 -0.395 0.000 2.321 294 H HA 0.260 4.816 4.556 0.000 0.000 0.300 294 H C 1.649 176.971 175.328 -0.008 0.000 1.087 294 H CA 2.841 58.802 56.048 -0.145 0.000 1.319 294 H CB 0.027 29.683 29.762 -0.176 0.000 1.379 294 H HN 0.912 nan 8.280 nan 0.000 0.501 295 S N -1.772 113.771 115.700 -0.262 0.000 2.588 295 S HA 0.493 4.963 4.470 0.000 0.000 0.275 295 S C -1.498 172.890 174.600 -0.353 0.000 1.130 295 S CA -1.004 57.074 58.200 -0.203 0.000 0.855 295 S CB 1.815 64.946 63.200 -0.115 0.000 1.116 295 S HN 0.221 nan 8.310 nan 0.000 0.472 296 Y N 0.074 120.370 120.300 -0.007 0.000 2.524 296 Y HA 0.703 5.253 4.550 0.000 0.000 0.344 296 Y C 1.195 177.103 175.900 0.013 0.000 1.012 296 Y CA -0.341 57.764 58.100 0.008 0.000 1.068 296 Y CB 1.819 40.283 38.460 0.006 0.000 1.249 296 Y HN 1.085 nan 8.280 nan 0.000 0.468 297 G N 1.166 110.050 108.800 0.139 0.000 2.525 297 G HA2 0.380 4.340 3.960 0.000 0.000 0.276 297 G HA3 0.380 4.340 3.960 0.000 0.000 0.276 297 G C -2.622 172.337 174.900 0.099 0.000 1.388 297 G CA -1.206 43.950 45.100 0.092 0.000 1.050 297 G HN 0.370 nan 8.290 nan 0.000 0.520 298 P HA 0.267 nan 4.420 nan 0.000 0.271 298 P C -0.390 176.937 177.300 0.045 0.000 1.218 298 P CA -0.458 62.671 63.100 0.049 0.000 0.780 298 P CB 1.019 32.738 31.700 0.031 0.000 0.901 299 V N 2.909 122.841 119.914 0.030 0.000 2.498 299 V HA 0.351 4.471 4.120 0.000 0.000 0.279 299 V C 0.635 176.732 176.094 0.006 0.000 1.048 299 V CA 0.163 62.472 62.300 0.015 0.000 0.967 299 V CB 0.729 32.552 31.823 0.001 0.000 0.988 299 V HN 0.754 nan 8.190 nan 0.000 0.473 300 T N 2.552 117.107 114.554 0.002 0.000 2.916 300 T HA 0.737 5.087 4.350 0.000 0.000 0.292 300 T C -0.627 174.062 174.700 -0.018 0.000 1.055 300 T CA -0.764 61.330 62.100 -0.011 0.000 1.009 300 T CB 1.739 70.600 68.868 -0.012 0.000 1.118 300 T HN 0.183 nan 8.240 nan 0.000 0.497 301 I N 2.381 122.931 120.570 -0.034 0.000 2.416 301 I HA 0.238 4.408 4.170 0.000 0.000 0.288 301 I C 0.203 176.264 176.117 -0.093 0.000 1.051 301 I CA 0.047 61.320 61.300 -0.045 0.000 1.375 301 I CB 0.675 38.647 38.000 -0.047 0.000 1.407 301 I HN 0.651 nan 8.210 nan 0.000 0.516 302 D N 6.511 126.863 120.400 -0.079 0.000 2.443 302 D HA 0.200 4.840 4.640 0.000 0.000 0.221 302 D C 0.889 177.073 176.300 -0.194 0.000 1.097 302 D CA -0.316 53.624 54.000 -0.101 0.000 0.865 302 D CB 0.627 41.391 40.800 -0.059 0.000 1.034 302 D HN 0.394 nan 8.370 nan 0.000 0.511 303 R N 1.931 122.223 120.500 -0.347 0.000 2.323 303 R HA 0.003 4.343 4.340 0.000 0.000 0.198 303 R C 0.544 176.718 176.300 -0.210 0.000 0.988 303 R CA 0.319 56.040 56.100 -0.632 0.000 1.041 303 R CB 0.461 30.360 30.300 -0.668 0.000 0.926 303 R HN 0.355 nan 8.270 nan 0.000 0.476 304 D N 0.549 120.893 120.400 -0.092 0.000 2.312 304 D HA -0.042 4.598 4.640 0.000 0.000 0.211 304 D C 0.272 176.537 176.300 -0.058 0.000 0.964 304 D CA 0.966 54.952 54.000 -0.023 0.000 0.877 304 D CB 0.311 41.149 40.800 0.063 0.000 0.924 304 D HN 0.195 nan 8.370 nan 0.000 0.515 305 L N 2.565 123.763 121.223 -0.041 0.000 2.408 305 L HA 0.288 4.628 4.340 0.000 0.000 0.257 305 L C -2.427 174.521 176.870 0.130 0.000 1.053 305 L CA -1.793 52.979 54.840 -0.113 0.000 0.922 305 L CB 1.816 43.623 42.059 -0.420 0.000 1.261 305 L HN -0.302 nan 8.230 nan 0.000 0.458 306 P HA 0.047 nan 4.420 nan 0.000 0.268 306 P C -1.044 176.194 177.300 -0.104 0.000 1.205 306 P CA 0.167 63.195 63.100 -0.121 0.000 0.771 306 P CB 1.584 33.199 31.700 -0.141 0.000 0.858 307 D N 3.100 123.392 120.400 -0.180 0.000 2.837 307 D HA 0.165 4.805 4.640 0.000 0.000 0.220 307 D C -2.479 173.750 176.300 -0.118 0.000 1.236 307 D CA -1.920 52.029 54.000 -0.085 0.000 0.838 307 D CB 2.994 43.791 40.800 -0.006 0.000 1.647 307 D HN 0.108 nan 8.370 nan 0.000 0.486 308 P HA 0.141 nan 4.420 nan 0.000 0.249 308 P C -0.805 176.481 177.300 -0.023 0.000 1.583 308 P CA 0.175 63.237 63.100 -0.064 0.000 0.988 308 P CB -0.333 31.337 31.700 -0.050 0.000 1.530 309 T N -1.270 113.277 114.554 -0.012 0.000 3.245 309 T HA -0.163 4.187 4.350 0.000 0.000 0.434 309 T C -0.337 174.391 174.700 0.047 0.000 0.770 309 T CA 0.464 62.577 62.100 0.021 0.000 2.278 309 T CB -2.234 66.653 68.868 0.033 0.000 1.692 309 T HN 0.472 nan 8.240 nan 0.000 0.677 310 N N 0.662 119.372 118.700 0.016 0.000 2.710 310 N HA 0.477 5.217 4.740 0.000 0.000 0.257 310 N C -0.770 174.629 175.510 -0.185 0.000 1.327 310 N CA -0.733 52.325 53.050 0.013 0.000 0.861 310 N CB 1.327 39.839 38.487 0.042 0.000 1.532 310 N HN 0.225 nan 8.380 nan 0.000 0.499 311 N N 0.402 118.760 118.700 -0.570 0.000 2.263 311 N HA 0.700 5.440 4.740 0.000 0.000 0.239 311 N C -1.003 174.278 175.510 -0.382 0.000 1.317 311 N CA 0.414 53.048 53.050 -0.694 0.000 0.909 311 N CB 0.657 38.252 38.487 -1.487 0.000 1.171 311 N HN 0.706 nan 8.380 nan 0.000 0.492 312 A N -0.906 121.728 122.820 -0.310 0.000 2.515 312 A HA 0.544 4.864 4.320 0.000 0.000 0.292 312 A C -1.337 176.098 177.584 -0.248 0.000 1.065 312 A CA -0.442 51.416 52.037 -0.299 0.000 0.641 312 A CB 0.290 19.116 19.000 -0.289 0.000 1.306 312 A HN 0.781 nan 8.150 nan 0.000 0.441 313 S N -0.319 115.189 115.700 -0.321 0.000 2.546 313 S HA 0.804 5.274 4.470 0.000 0.000 0.274 313 S C -1.068 173.495 174.600 -0.061 0.000 1.121 313 S CA -0.465 57.658 58.200 -0.129 0.000 0.887 313 S CB 1.519 64.688 63.200 -0.052 0.000 1.094 313 S HN 1.776 nan 8.310 nan 0.000 0.474 314 I N 3.223 123.863 120.570 0.117 0.000 2.478 314 I HA 0.647 4.817 4.170 0.000 0.000 0.287 314 I C -1.332 174.899 176.117 0.191 0.000 1.042 314 I CA -1.211 60.247 61.300 0.262 0.000 1.067 314 I CB 1.188 39.416 38.000 0.381 0.000 1.233 314 I HN 0.933 nan 8.210 nan 0.000 0.431 315 I N 4.173 124.857 120.570 0.190 0.000 3.042 315 I HA 0.601 4.771 4.170 0.000 0.000 0.310 315 I C -0.721 175.484 176.117 0.146 0.000 1.117 315 I CA -1.070 60.321 61.300 0.152 0.000 1.003 315 I CB 1.716 39.796 38.000 0.134 0.000 1.228 315 I HN 0.375 nan 8.210 nan 0.000 0.443 316 R N 2.724 123.301 120.500 0.127 0.000 2.370 316 R HA 0.270 4.610 4.340 0.000 0.000 0.309 316 R C 0.897 177.247 176.300 0.083 0.000 1.059 316 R CA 0.452 56.622 56.100 0.116 0.000 0.981 316 R CB 1.256 31.630 30.300 0.123 0.000 0.972 316 R HN 0.976 nan 8.270 nan 0.000 0.437 317 A N 3.921 126.733 122.820 -0.014 0.000 1.933 317 A HA -0.097 4.223 4.320 0.000 0.000 0.218 317 A C 0.345 177.691 177.584 -0.396 0.000 1.175 317 A CA 1.187 53.071 52.037 -0.255 0.000 0.628 317 A CB -0.013 18.673 19.000 -0.522 0.000 0.814 317 A HN 0.559 nan 8.150 nan 0.000 0.444 318 F N -0.778 119.289 119.950 0.194 0.000 2.686 318 F HA 0.328 4.855 4.527 0.000 0.000 0.365 318 F C -1.839 174.035 175.800 0.122 0.000 1.196 318 F CA -2.128 55.963 58.000 0.151 0.000 1.198 318 F CB 1.446 40.523 39.000 0.128 0.000 1.454 318 F HN 0.024 nan 8.300 nan 0.000 0.539 319 P HA -0.085 nan 4.420 nan 0.000 0.230 319 P C 0.268 177.645 177.300 0.128 0.000 1.158 319 P CA 1.194 64.379 63.100 0.141 0.000 0.769 319 P CB 0.501 32.260 31.700 0.099 0.000 0.807 320 D N -0.432 120.067 120.400 0.165 0.000 2.369 320 D HA 0.149 4.789 4.640 0.000 0.000 0.211 320 D C 0.936 177.334 176.300 0.164 0.000 1.077 320 D CA -0.027 54.056 54.000 0.139 0.000 0.842 320 D CB 0.065 40.932 40.800 0.112 0.000 0.947 320 D HN 0.088 nan 8.370 nan 0.000 0.509 321 A N 2.790 125.732 122.820 0.203 0.000 2.531 321 A HA 0.283 4.603 4.320 0.000 0.000 0.236 321 A C -2.045 175.673 177.584 0.222 0.000 1.062 321 A CA -0.637 51.504 52.037 0.174 0.000 0.760 321 A CB -0.122 18.988 19.000 0.184 0.000 0.995 321 A HN -0.048 nan 8.150 nan 0.000 0.501 322 P HA 0.333 nan 4.420 nan 0.000 0.274 322 P C -0.081 177.200 177.300 -0.032 0.000 1.231 322 P CA -0.020 63.138 63.100 0.097 0.000 0.790 322 P CB 0.623 32.340 31.700 0.030 0.000 0.951 323 A N 1.517 124.121 122.820 -0.360 0.000 2.540 323 A HA 0.385 4.705 4.320 0.000 0.000 0.239 323 A C 1.554 178.966 177.584 -0.288 0.000 1.061 323 A CA 0.815 52.410 52.037 -0.738 0.000 0.758 323 A CB -1.539 16.823 19.000 -1.063 0.000 0.991 323 A HN 0.929 nan 8.150 nan 0.000 0.502 324 G N 1.237 109.920 108.800 -0.195 0.000 2.184 324 G HA2 -0.214 3.746 3.960 0.000 0.000 0.264 324 G HA3 -0.214 3.746 3.960 0.000 0.000 0.264 324 G C 0.615 175.486 174.900 -0.048 0.000 0.975 324 G CA 1.065 46.107 45.100 -0.097 0.000 0.642 324 G HN 2.204 nan 8.290 nan 0.000 0.536 325 S N -0.076 115.605 115.700 -0.033 0.000 2.592 325 S HA 0.728 5.198 4.470 0.000 0.000 0.271 325 S C 1.749 176.354 174.600 0.008 0.000 1.326 325 S CA 0.466 58.658 58.200 -0.013 0.000 1.024 325 S CB 1.802 64.997 63.200 -0.009 0.000 0.921 325 S HN 1.695 nan 8.310 nan 0.000 0.527 326 A N 2.483 125.301 122.820 -0.003 0.000 1.917 326 A HA -0.172 4.148 4.320 0.000 0.000 0.219 326 A C 2.351 179.959 177.584 0.040 0.000 1.182 326 A CA 1.684 53.726 52.037 0.009 0.000 0.633 326 A CB -0.739 18.257 19.000 -0.006 0.000 0.819 326 A HN 0.925 nan 8.150 nan 0.000 0.448 327 R N -0.838 119.669 120.500 0.012 0.000 2.115 327 R HA 0.028 4.368 4.340 0.000 0.000 0.226 327 R C 2.348 178.786 176.300 0.229 0.000 1.100 327 R CA 0.947 57.082 56.100 0.058 0.000 0.980 327 R CB -0.409 29.761 30.300 -0.217 0.000 0.875 327 R HN 0.504 nan 8.270 nan 0.000 0.445 328 A N 1.273 124.191 122.820 0.163 0.000 2.125 328 A HA -0.160 4.160 4.320 0.000 0.000 0.219 328 A C 1.573 179.271 177.584 0.189 0.000 1.156 328 A CA 1.250 53.416 52.037 0.214 0.000 0.671 328 A CB -0.154 18.966 19.000 0.200 0.000 0.794 328 A HN 0.207 nan 8.150 nan 0.000 0.459 329 K N -0.496 119.988 120.400 0.140 0.000 2.393 329 K HA 0.165 4.485 4.320 0.000 0.000 0.193 329 K C -0.358 176.288 176.600 0.076 0.000 1.026 329 K CA -0.038 56.301 56.287 0.087 0.000 1.064 329 K CB 0.408 32.934 32.500 0.042 0.000 0.833 329 K HN 0.285 nan 8.250 nan 0.000 0.521 330 V N 3.108 123.112 119.914 0.151 0.000 2.455 330 V HA 0.187 4.307 4.120 0.000 0.000 0.273 330 V C -0.036 176.110 176.094 0.086 0.000 1.045 330 V CA -0.213 62.164 62.300 0.129 0.000 0.976 330 V CB 0.564 32.541 31.823 0.255 0.000 0.993 330 V HN 0.125 nan 8.190 nan 0.000 0.475 331 L N 5.931 127.181 121.223 0.044 0.000 2.342 331 L HA 0.657 4.997 4.340 0.000 0.000 0.271 331 L C -0.609 176.390 176.870 0.214 0.000 1.008 331 L CA -0.604 54.313 54.840 0.129 0.000 0.818 331 L CB 2.064 44.221 42.059 0.164 0.000 1.296 331 L HN 0.416 nan 8.230 nan 0.000 0.427 332 L N 2.156 123.516 121.223 0.229 0.000 2.334 332 L HA 0.550 4.890 4.340 0.000 0.000 0.276 332 L C -1.121 175.971 176.870 0.371 0.000 1.014 332 L CA -0.442 54.555 54.840 0.262 0.000 0.815 332 L CB 2.127 44.212 42.059 0.043 0.000 1.268 332 L HN 0.375 nan 8.230 nan 0.000 0.428 333 F N 2.080 122.121 119.950 0.153 0.000 2.540 333 F HA 0.610 5.137 4.527 0.000 0.000 0.317 333 F C -0.320 175.469 175.800 -0.019 0.000 1.104 333 F CA -0.465 57.521 58.000 -0.023 0.000 0.913 333 F CB 1.995 40.763 39.000 -0.386 0.000 1.170 333 F HN 0.418 nan 8.300 nan 0.000 0.450 334 S N 6.052 121.343 115.700 -0.683 0.000 2.502 334 S HA 0.807 5.277 4.470 0.000 0.000 0.304 334 S C -1.240 172.925 174.600 -0.725 0.000 1.097 334 S CA -0.571 57.342 58.200 -0.479 0.000 1.045 334 S CB 1.821 64.894 63.200 -0.211 0.000 1.019 334 S HN 0.967 nan 8.310 nan 0.000 0.481 335 N N 0.812 119.279 118.700 -0.388 0.000 3.179 335 N HA 0.430 5.170 4.740 0.000 0.000 0.250 335 N C -1.506 173.940 175.510 -0.107 0.000 1.507 335 N CA -0.665 52.231 53.050 -0.257 0.000 0.883 335 N CB 1.093 39.410 38.487 -0.282 0.000 1.435 335 N HN 0.879 nan 8.380 nan 0.000 0.532 336 A N -0.109 122.660 122.820 -0.085 0.000 2.396 336 A HA 0.636 4.956 4.320 0.000 0.000 0.279 336 A C 0.734 178.269 177.584 -0.081 0.000 1.165 336 A CA 0.012 51.989 52.037 -0.101 0.000 0.824 336 A CB -0.662 18.298 19.000 -0.066 0.000 1.100 336 A HN 0.931 nan 8.150 nan 0.000 0.516 337 A N 2.983 125.744 122.820 -0.099 0.000 2.840 337 A HA 0.486 4.807 4.320 0.000 0.000 0.269 337 A C 0.785 178.314 177.584 -0.091 0.000 1.439 337 A CA 0.467 52.461 52.037 -0.072 0.000 1.083 337 A CB -0.629 18.332 19.000 -0.065 0.000 1.019 337 A HN 0.922 nan 8.150 nan 0.000 0.607 338 S N -1.225 114.415 115.700 -0.101 0.000 2.566 338 S HA 0.410 4.880 4.470 0.000 0.000 0.298 338 S C 0.587 175.105 174.600 -0.136 0.000 1.083 338 S CA -0.520 57.614 58.200 -0.110 0.000 0.978 338 S CB 1.344 64.486 63.200 -0.096 0.000 1.073 338 S HN 0.517 nan 8.310 nan 0.000 0.491 339 Q N 1.011 120.713 119.800 -0.162 0.000 2.402 339 Q HA 0.064 4.404 4.340 0.000 0.000 0.206 339 Q C 1.161 177.079 176.000 -0.138 0.000 0.919 339 Q CA 1.039 56.720 55.803 -0.204 0.000 0.923 339 Q CB 0.289 28.860 28.738 -0.277 0.000 1.048 339 Q HN 0.912 nan 8.270 nan 0.000 0.515 340 T N -3.168 111.323 114.554 -0.105 0.000 3.003 340 T HA 0.164 4.514 4.350 0.000 0.000 0.261 340 T C 0.581 175.244 174.700 -0.062 0.000 1.003 340 T CA 0.157 62.209 62.100 -0.080 0.000 0.917 340 T CB 0.623 69.447 68.868 -0.074 0.000 1.084 340 T HN 0.105 nan 8.240 nan 0.000 0.522 341 S N 0.471 116.133 115.700 -0.063 0.000 2.565 341 S HA 0.553 5.023 4.470 0.000 0.000 0.269 341 S C -1.409 173.164 174.600 -0.044 0.000 1.153 341 S CA -1.168 57.004 58.200 -0.047 0.000 0.835 341 S CB 1.566 64.738 63.200 -0.047 0.000 1.122 341 S HN 0.231 nan 8.310 nan 0.000 0.462 342 R N 2.107 122.592 120.500 -0.025 0.000 2.891 342 R HA 0.519 4.859 4.340 0.000 0.000 0.248 342 R C -0.181 176.100 176.300 -0.033 0.000 1.439 342 R CA 0.065 56.158 56.100 -0.011 0.000 1.288 342 R CB 0.074 30.393 30.300 0.031 0.000 1.212 342 R HN 0.826 nan 8.270 nan 0.000 0.605 343 S N -0.469 115.189 115.700 -0.070 0.000 2.672 343 S HA 0.179 4.649 4.470 0.000 0.000 0.271 343 S C -0.815 173.692 174.600 -0.156 0.000 1.171 343 S CA -1.282 56.856 58.200 -0.103 0.000 0.817 343 S CB 1.321 64.472 63.200 -0.081 0.000 1.150 343 S HN 0.522 nan 8.310 nan 0.000 0.478 344 Q N -0.427 119.255 119.800 -0.197 0.000 2.451 344 Q HA -0.120 4.220 4.340 0.000 0.000 0.305 344 Q C 0.503 176.295 176.000 -0.347 0.000 1.345 344 Q CA 0.514 56.173 55.803 -0.241 0.000 0.854 344 Q CB -2.535 26.106 28.738 -0.163 0.000 1.162 344 Q HN 1.167 nan 8.270 nan 0.000 0.440 345 G N 0.862 109.313 108.800 -0.583 0.000 2.305 345 G HA2 0.292 4.252 3.960 0.000 0.000 0.243 345 G HA3 0.292 4.252 3.960 0.000 0.000 0.243 345 G C -0.110 174.225 174.900 -0.942 0.000 1.288 345 G CA 0.446 44.970 45.100 -0.960 0.000 0.901 345 G HN 0.147 nan 8.290 nan 0.000 0.516 346 T N 2.663 117.058 114.554 -0.264 0.000 2.952 346 T HA 0.403 4.753 4.350 0.000 0.000 0.305 346 T C -0.456 174.364 174.700 0.200 0.000 1.064 346 T CA -0.512 61.595 62.100 0.012 0.000 1.008 346 T CB 1.479 70.320 68.868 -0.044 0.000 1.078 346 T HN 0.283 nan 8.240 nan 0.000 0.459 347 I N 3.272 123.961 120.570 0.198 0.000 2.359 347 I HA 0.496 4.666 4.170 0.000 0.000 0.294 347 I C 0.487 176.683 176.117 0.133 0.000 0.987 347 I CA -0.695 60.674 61.300 0.115 0.000 1.225 347 I CB 1.362 39.353 38.000 -0.015 0.000 1.366 347 I HN 0.509 nan 8.210 nan 0.000 0.466 348 R N 5.665 126.292 120.500 0.212 0.000 2.832 348 R HA 0.784 5.124 4.340 0.000 0.000 0.271 348 R C -0.775 175.791 176.300 0.443 0.000 0.996 348 R CA -0.948 55.325 56.100 0.289 0.000 0.977 348 R CB 2.914 33.357 30.300 0.239 0.000 1.168 348 R HN 0.548 nan 8.270 nan 0.000 0.482 349 M N 0.927 120.800 119.600 0.455 0.000 2.393 349 M HA 0.343 4.823 4.480 0.000 0.000 0.299 349 M C -1.420 175.004 176.300 0.208 0.000 1.103 349 M CA -0.378 55.126 55.300 0.340 0.000 0.910 349 M CB 2.456 35.161 32.600 0.175 0.000 1.659 349 M HN 0.611 nan 8.290 nan 0.000 0.445 350 S N 2.597 118.231 115.700 -0.110 0.000 2.521 350 S HA 0.595 5.065 4.470 0.000 0.000 0.295 350 S C -0.421 174.045 174.600 -0.223 0.000 1.098 350 S CA -0.723 57.204 58.200 -0.456 0.000 0.999 350 S CB 1.241 63.665 63.200 -1.292 0.000 1.034 350 S HN 0.922 nan 8.310 nan 0.000 0.483 351 c N 2.723 121.231 118.600 -0.153 0.000 2.994 351 c HA 0.413 4.983 4.570 0.000 0.000 0.284 351 c C 0.254 174.305 174.090 -0.065 0.000 1.404 351 c CA -0.612 55.686 56.329 -0.052 0.000 1.775 351 c CB -1.799 40.718 42.510 0.012 0.000 2.458 351 c HN 0.891 nan 8.230 nan 0.000 0.593 352 D N -1.363 118.953 120.400 -0.140 0.000 2.895 352 D HA 0.147 4.787 4.640 0.000 0.000 0.350 352 D C -0.033 176.188 176.300 -0.131 0.000 1.389 352 D CA -0.273 53.660 54.000 -0.113 0.000 0.812 352 D CB -0.590 40.145 40.800 -0.108 0.000 1.164 352 D HN 0.003 nan 8.370 nan 0.000 0.455 353 D N 0.078 120.408 120.400 -0.116 0.000 3.012 353 D HA -0.142 4.499 4.640 0.000 0.000 0.222 353 D C 1.271 177.496 176.300 -0.126 0.000 1.167 353 D CA 1.722 55.679 54.000 -0.071 0.000 0.854 353 D CB -1.331 39.460 40.800 -0.014 0.000 1.107 353 D HN 0.785 nan 8.370 nan 0.000 0.421 354 G N -0.529 108.071 108.800 -0.332 0.000 2.141 354 G HA2 -0.383 3.577 3.960 0.000 0.000 0.231 354 G HA3 -0.383 3.577 3.960 0.000 0.000 0.231 354 G C 0.909 175.599 174.900 -0.351 0.000 0.984 354 G CA 0.717 45.526 45.100 -0.484 0.000 0.660 354 G HN 0.474 nan 8.290 nan 0.000 0.525 355 Q N -0.140 119.496 119.800 -0.274 0.000 2.119 355 Q HA 0.099 4.439 4.340 0.000 0.000 0.201 355 Q C 1.519 177.398 176.000 -0.202 0.000 0.972 355 Q CA 1.624 57.329 55.803 -0.164 0.000 0.847 355 Q CB 0.071 28.743 28.738 -0.110 0.000 0.903 355 Q HN 0.817 nan 8.270 nan 0.000 0.433 356 T N -3.824 110.515 114.554 -0.359 0.000 2.906 356 T HA 0.471 4.821 4.350 0.000 0.000 0.295 356 T C -1.475 172.902 174.700 -0.538 0.000 1.061 356 T CA -0.839 61.090 62.100 -0.284 0.000 1.000 356 T CB 0.997 69.783 68.868 -0.137 0.000 1.103 356 T HN 0.201 nan 8.240 nan 0.000 0.486 357 W N 2.532 123.811 121.300 -0.036 0.000 2.165 357 W HA 0.369 5.029 4.660 0.000 0.000 0.288 357 W C -1.889 174.622 176.519 -0.014 0.000 0.900 357 W CA -2.092 55.239 57.345 -0.024 0.000 1.914 357 W CB 1.258 30.689 29.460 -0.050 0.000 2.091 357 W HN 0.610 nan 8.180 nan 0.000 0.399 358 P HA -0.035 nan 4.420 nan 0.000 0.226 358 P C 0.230 177.598 177.300 0.114 0.000 1.153 358 P CA 1.033 64.187 63.100 0.091 0.000 0.777 358 P CB 0.952 32.701 31.700 0.082 0.000 0.794 359 V N 0.367 120.365 119.914 0.140 0.000 2.604 359 V HA 0.506 4.626 4.120 0.000 0.000 0.305 359 V C 0.005 176.170 176.094 0.119 0.000 1.043 359 V CA -0.412 61.953 62.300 0.109 0.000 0.888 359 V CB 1.915 33.798 31.823 0.099 0.000 0.995 359 V HN 0.217 nan 8.190 nan 0.000 0.429 360 S N 3.776 119.505 115.700 0.047 0.000 2.550 360 S HA 0.849 5.319 4.470 0.000 0.000 0.270 360 S C -1.248 173.306 174.600 -0.075 0.000 1.145 360 S CA -0.924 57.291 58.200 0.025 0.000 0.852 360 S CB 2.403 65.625 63.200 0.037 0.000 1.119 360 S HN 0.754 nan 8.310 nan 0.000 0.465 361 K N 1.353 121.688 120.400 -0.108 0.000 2.523 361 K HA 0.607 4.927 4.320 0.000 0.000 0.257 361 K C -1.644 174.900 176.600 -0.094 0.000 0.932 361 K CA -0.780 55.365 56.287 -0.236 0.000 0.812 361 K CB 2.205 34.319 32.500 -0.644 0.000 1.326 361 K HN 0.620 nan 8.250 nan 0.000 0.433 362 V N 5.808 125.656 119.914 -0.110 0.000 2.555 362 V HA 0.145 4.265 4.120 0.000 0.000 0.286 362 V C 0.572 176.684 176.094 0.031 0.000 1.044 362 V CA 0.119 62.363 62.300 -0.094 0.000 1.026 362 V CB 0.462 32.197 31.823 -0.147 0.000 0.981 362 V HN 0.802 nan 8.190 nan 0.000 0.480 363 F N 1.961 121.853 119.950 -0.097 0.000 2.717 363 F HA 0.505 5.032 4.527 0.000 0.000 0.297 363 F C 0.676 176.312 175.800 -0.273 0.000 1.113 363 F CA -0.290 57.557 58.000 -0.255 0.000 1.319 363 F CB 0.408 39.218 39.000 -0.317 0.000 1.097 363 F HN 0.457 nan 8.300 nan 0.000 0.595 364 Q N 1.392 120.765 119.800 -0.712 0.000 2.878 364 Q HA 0.398 4.738 4.340 0.000 0.000 0.232 364 Q C -2.461 173.317 176.000 -0.371 0.000 0.893 364 Q CA -2.262 53.263 55.803 -0.463 0.000 0.742 364 Q CB 1.566 29.981 28.738 -0.539 0.000 1.354 364 Q HN -0.109 nan 8.270 nan 0.000 0.466 365 P HA -0.069 nan 4.420 nan 0.000 0.218 365 P C 0.403 177.628 177.300 -0.126 0.000 1.148 365 P CA 1.451 64.457 63.100 -0.157 0.000 0.822 365 P CB 0.376 32.016 31.700 -0.099 0.000 0.784 366 G N -0.974 107.769 108.800 -0.095 0.000 2.714 366 G HA2 0.191 4.151 3.960 0.000 0.000 0.197 366 G HA3 0.191 4.151 3.960 0.000 0.000 0.197 366 G C -0.443 174.422 174.900 -0.057 0.000 1.449 366 G CA -0.229 44.836 45.100 -0.058 0.000 1.065 366 G HN 0.065 nan 8.290 nan 0.000 0.575 367 S N 0.024 115.714 115.700 -0.016 0.000 2.544 367 S HA 0.345 4.815 4.470 0.000 0.000 0.290 367 S C -0.080 174.542 174.600 0.038 0.000 1.276 367 S CA 0.246 58.447 58.200 0.003 0.000 1.075 367 S CB -0.178 63.030 63.200 0.014 0.000 0.849 367 S HN 0.398 nan 8.310 nan 0.000 0.494 368 M N 5.071 124.685 119.600 0.022 0.000 2.215 368 M HA 0.300 4.780 4.480 0.000 0.000 0.251 368 M C -0.344 176.013 176.300 0.095 0.000 0.987 368 M CA -0.225 55.118 55.300 0.072 0.000 1.025 368 M CB 1.086 33.601 32.600 -0.142 0.000 2.064 368 M HN 0.704 nan 8.290 nan 0.000 0.473 369 S N 3.175 118.983 115.700 0.180 0.000 3.224 369 S HA 0.534 5.004 4.470 0.000 0.000 0.171 369 S C -0.146 174.676 174.600 0.370 0.000 0.846 369 S CA -0.123 58.213 58.200 0.227 0.000 1.328 369 S CB 0.136 63.426 63.200 0.151 0.000 0.614 369 S HN 0.570 nan 8.310 nan 0.000 0.578 370 F N 2.882 122.877 119.950 0.075 0.000 2.459 370 F HA 0.446 4.973 4.527 0.000 0.000 0.346 370 F C 0.972 176.853 175.800 0.135 0.000 1.128 370 F CA -0.918 57.126 58.000 0.073 0.000 1.268 370 F CB 0.169 39.202 39.000 0.055 0.000 1.161 370 F HN 0.299 nan 8.300 nan 0.000 0.583 371 S N 0.298 116.135 115.700 0.229 0.000 2.537 371 S HA 0.693 5.164 4.470 0.000 0.000 0.270 371 S C -0.827 173.821 174.600 0.081 0.000 1.142 371 S CA -0.806 57.516 58.200 0.205 0.000 0.870 371 S CB 2.041 65.354 63.200 0.188 0.000 1.112 371 S HN 0.683 nan 8.310 nan 0.000 0.466 372 T N 2.152 116.765 114.554 0.098 0.000 3.071 372 T HA 0.540 4.890 4.350 0.000 0.000 0.311 372 T C -1.329 173.429 174.700 0.096 0.000 1.042 372 T CA -0.551 61.598 62.100 0.081 0.000 1.028 372 T CB 0.513 69.452 68.868 0.118 0.000 1.068 372 T HN 0.684 nan 8.240 nan 0.000 0.451 373 L N 3.275 124.546 121.223 0.080 0.000 2.343 373 L HA 0.790 5.130 4.340 0.000 0.000 0.275 373 L C 0.484 177.439 176.870 0.141 0.000 1.056 373 L CA -0.594 54.312 54.840 0.110 0.000 0.804 373 L CB 2.038 44.158 42.059 0.103 0.000 1.203 373 L HN 0.590 nan 8.230 nan 0.000 0.440 374 T N 1.042 115.691 114.554 0.157 0.000 2.894 374 T HA 0.666 5.016 4.350 0.000 0.000 0.309 374 T C -1.226 173.553 174.700 0.132 0.000 1.208 374 T CA -0.452 61.736 62.100 0.147 0.000 1.016 374 T CB 1.691 70.642 68.868 0.139 0.000 1.192 374 T HN 0.634 nan 8.240 nan 0.000 0.491 375 A N 3.732 126.605 122.820 0.089 0.000 2.301 375 A HA 0.774 5.094 4.320 0.000 0.000 0.298 375 A C -0.406 177.087 177.584 -0.152 0.000 1.185 375 A CA -0.492 51.498 52.037 -0.079 0.000 0.830 375 A CB 0.105 19.111 19.000 0.010 0.000 1.112 375 A HN 0.771 nan 8.150 nan 0.000 0.508 376 L N 3.422 124.466 121.223 -0.298 0.000 2.360 376 L HA 0.328 4.668 4.340 0.000 0.000 0.271 376 L C -1.434 175.328 176.870 -0.181 0.000 1.057 376 L CA -1.975 52.749 54.840 -0.194 0.000 0.803 376 L CB 1.393 43.349 42.059 -0.172 0.000 1.207 376 L HN 0.485 nan 8.230 nan 0.000 0.445 377 P HA -0.193 nan 4.420 nan 0.000 0.217 377 P C 0.645 177.899 177.300 -0.077 0.000 1.148 377 P CA 1.172 64.226 63.100 -0.076 0.000 0.828 377 P CB -0.003 31.658 31.700 -0.065 0.000 0.783 378 D N -1.807 118.535 120.400 -0.098 0.000 2.336 378 D HA 0.058 4.698 4.640 0.000 0.000 0.229 378 D C 1.377 177.621 176.300 -0.092 0.000 1.061 378 D CA 0.639 54.592 54.000 -0.078 0.000 0.875 378 D CB -0.994 39.763 40.800 -0.071 0.000 0.904 378 D HN 0.250 nan 8.370 nan 0.000 0.525 379 G N -0.082 108.625 108.800 -0.154 0.000 2.179 379 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 379 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 379 G C 0.540 175.191 174.900 -0.414 0.000 0.977 379 G CA 0.786 45.771 45.100 -0.192 0.000 0.641 379 G HN 0.813 nan 8.290 nan 0.000 0.533 380 T N -2.294 111.982 114.554 -0.463 0.000 2.893 380 T HA 0.743 5.093 4.350 0.000 0.000 0.279 380 T C -0.224 173.888 174.700 -0.979 0.000 0.991 380 T CA -0.717 61.075 62.100 -0.512 0.000 0.950 380 T CB 1.839 70.571 68.868 -0.228 0.000 1.223 380 T HN 0.441 nan 8.240 nan 0.000 0.585 381 Y N -1.278 118.715 120.300 -0.512 0.000 2.462 381 Y HA 0.629 5.179 4.550 0.000 0.000 0.346 381 Y C 0.745 176.376 175.900 -0.448 0.000 0.976 381 Y CA -0.996 56.764 58.100 -0.567 0.000 1.044 381 Y CB 2.221 40.105 38.460 -0.960 0.000 1.230 381 Y HN 1.094 nan 8.280 nan 0.000 0.455 382 G N 1.713 110.481 108.800 -0.055 0.000 2.389 382 G HA2 0.568 4.528 3.960 0.000 0.000 0.317 382 G HA3 0.568 4.528 3.960 0.000 0.000 0.317 382 G C -1.919 173.000 174.900 0.031 0.000 1.137 382 G CA -0.497 44.644 45.100 0.069 0.000 0.870 382 G HN 0.480 nan 8.290 nan 0.000 0.496 383 L N 1.836 122.992 121.223 -0.112 0.000 2.541 383 L HA 0.583 4.923 4.340 0.000 0.000 0.266 383 L C -1.607 175.272 176.870 0.016 0.000 0.966 383 L CA -0.753 54.059 54.840 -0.047 0.000 0.871 383 L CB 1.780 43.761 42.059 -0.130 0.000 1.232 383 L HN 0.429 nan 8.230 nan 0.000 0.408 384 L N 6.544 127.861 121.223 0.157 0.000 2.313 384 L HA 0.787 5.127 4.340 0.000 0.000 0.283 384 L C -1.101 175.904 176.870 0.224 0.000 1.013 384 L CA -0.210 54.735 54.840 0.174 0.000 0.816 384 L CB 1.296 43.476 42.059 0.201 0.000 1.236 384 L HN 0.674 nan 8.230 nan 0.000 0.419 385 Y N 1.209 121.529 120.300 0.035 0.000 2.670 385 Y HA 0.625 5.175 4.550 0.000 0.000 0.334 385 Y C -1.358 174.580 175.900 0.062 0.000 1.185 385 Y CA -1.216 56.939 58.100 0.092 0.000 1.053 385 Y CB 1.130 39.692 38.460 0.170 0.000 1.298 385 Y HN 0.550 nan 8.280 nan 0.000 0.459 386 E N 3.404 123.724 120.200 0.200 0.000 2.035 386 E HA 0.244 4.594 4.350 0.000 0.000 0.271 386 E C -2.222 174.441 176.600 0.106 0.000 0.953 386 E CA -2.106 54.315 56.400 0.035 0.000 0.777 386 E CB 1.464 31.188 29.700 0.040 0.000 1.104 386 E HN 0.482 nan 8.360 nan 0.000 0.408 387 P HA 0.015 nan 4.420 nan 0.000 0.249 387 P C 0.844 178.160 177.300 0.027 0.000 1.229 387 P CA 0.718 63.858 63.100 0.067 0.000 0.788 387 P CB 0.688 32.359 31.700 -0.047 0.000 1.072 388 G N -0.201 108.593 108.800 -0.010 0.000 2.307 388 G HA2 -0.228 3.732 3.960 0.000 0.000 0.210 388 G HA3 -0.228 3.732 3.960 0.000 0.000 0.210 388 G C 0.866 175.748 174.900 -0.029 0.000 1.005 388 G CA 0.446 45.537 45.100 -0.016 0.000 0.634 388 G HN 0.453 nan 8.290 nan 0.000 0.496 389 T N -1.236 113.292 114.554 -0.043 0.000 3.145 389 T HA 0.598 4.948 4.350 0.000 0.000 0.255 389 T C 1.543 176.215 174.700 -0.046 0.000 1.039 389 T CA 1.410 63.488 62.100 -0.037 0.000 0.928 389 T CB 0.821 69.666 68.868 -0.038 0.000 1.029 389 T HN 2.264 nan 8.240 nan 0.000 0.554 390 G N 1.495 110.250 108.800 -0.075 0.000 2.113 390 G HA2 0.158 4.118 3.960 0.000 0.000 0.082 390 G HA3 0.158 4.118 3.960 0.000 0.000 0.082 390 G C -1.762 173.003 174.900 -0.225 0.000 1.155 390 G CA -0.477 44.561 45.100 -0.103 0.000 1.241 390 G HN 0.339 nan 8.290 nan 0.000 0.453 391 I N 1.270 121.614 120.570 -0.376 0.000 2.533 391 I HA 0.661 4.831 4.170 0.000 0.000 0.290 391 I C 0.016 175.858 176.117 -0.458 0.000 1.056 391 I CA -0.484 60.539 61.300 -0.461 0.000 1.057 391 I CB 1.723 39.264 38.000 -0.766 0.000 1.240 391 I HN 0.731 nan 8.210 nan 0.000 0.423 392 R N 4.778 124.997 120.500 -0.468 0.000 2.686 392 R HA 0.474 4.814 4.340 0.000 0.000 0.283 392 R C -2.021 174.080 176.300 -0.331 0.000 0.978 392 R CA -0.647 55.189 56.100 -0.441 0.000 0.897 392 R CB 2.568 32.509 30.300 -0.598 0.000 1.192 392 R HN 0.548 nan 8.270 nan 0.000 0.457 393 Y N 2.548 122.654 120.300 -0.323 0.000 2.341 393 Y HA 0.677 5.227 4.550 0.000 0.000 0.338 393 Y C -1.375 174.468 175.900 -0.095 0.000 0.965 393 Y CA -0.446 57.533 58.100 -0.200 0.000 1.108 393 Y CB 1.773 40.045 38.460 -0.313 0.000 1.180 393 Y HN 0.748 nan 8.280 nan 0.000 0.458 394 A N 5.034 127.324 122.820 -0.883 0.000 2.356 394 A HA 0.632 4.953 4.320 0.000 0.000 0.323 394 A C -1.469 175.487 177.584 -1.046 0.000 1.119 394 A CA -0.889 50.665 52.037 -0.804 0.000 0.790 394 A CB 1.239 19.923 19.000 -0.527 0.000 1.273 394 A HN 0.780 nan 8.150 nan 0.000 0.452 395 N N -0.056 118.207 118.700 -0.729 0.000 2.284 395 N HA 0.773 5.513 4.740 0.000 0.000 0.300 395 N C -1.159 174.128 175.510 -0.371 0.000 1.047 395 N CA -0.479 52.308 53.050 -0.439 0.000 0.821 395 N CB 1.173 39.544 38.487 -0.194 0.000 1.337 395 N HN 0.599 nan 8.380 nan 0.000 0.482 396 F N 0.582 120.354 119.950 -0.297 0.000 2.645 396 F HA 0.653 5.180 4.527 0.000 0.000 0.310 396 F C -0.907 174.958 175.800 0.108 0.000 1.102 396 F CA -1.168 56.721 58.000 -0.184 0.000 0.952 396 F CB 0.931 39.752 39.000 -0.297 0.000 1.326 396 F HN 0.418 nan 8.300 nan 0.000 0.456 397 N N 1.474 120.391 118.700 0.362 0.000 2.471 397 N HA 0.392 5.132 4.740 0.000 0.000 0.288 397 N C 0.229 176.071 175.510 0.553 0.000 1.220 397 N CA -1.004 52.252 53.050 0.343 0.000 0.893 397 N CB 1.095 39.724 38.487 0.238 0.000 1.256 397 N HN 0.868 nan 8.380 nan 0.000 0.534 398 L N -0.351 121.130 121.223 0.430 0.000 2.079 398 L HA -0.153 4.187 4.340 0.000 0.000 0.210 398 L C 2.371 179.436 176.870 0.325 0.000 1.081 398 L CA 1.864 56.927 54.840 0.371 0.000 0.752 398 L CB -0.838 41.394 42.059 0.289 0.000 0.896 398 L HN 0.767 nan 8.230 nan 0.000 0.433 399 A N -0.344 122.653 122.820 0.295 0.000 1.940 399 A HA -0.282 4.038 4.320 0.000 0.000 0.219 399 A C 2.008 179.750 177.584 0.262 0.000 1.176 399 A CA 1.752 53.930 52.037 0.235 0.000 0.631 399 A CB -1.028 18.096 19.000 0.208 0.000 0.814 399 A HN 0.663 nan 8.150 nan 0.000 0.446 400 W N 0.220 121.634 121.300 0.190 0.000 2.355 400 W HA -0.169 4.491 4.660 0.000 0.000 0.309 400 W C 1.645 178.237 176.519 0.121 0.000 1.206 400 W CA 1.693 59.143 57.345 0.176 0.000 1.284 400 W CB -0.409 29.209 29.460 0.262 0.000 1.145 400 W HN 0.269 nan 8.180 nan 0.000 0.502 401 L N 1.644 122.944 121.223 0.129 0.000 2.013 401 L HA -0.002 4.339 4.340 0.000 0.000 0.212 401 L C 2.154 178.886 176.870 -0.229 0.000 1.073 401 L CA 2.772 57.503 54.840 -0.182 0.000 0.753 401 L CB -1.429 40.715 42.059 0.142 0.000 0.890 401 L HN 0.424 nan 8.230 nan 0.000 0.432 402 G N -1.904 106.857 108.800 -0.065 0.000 2.171 402 G HA2 -0.137 3.823 3.960 0.000 0.000 0.238 402 G HA3 -0.137 3.823 3.960 0.000 0.000 0.238 402 G C 0.524 175.408 174.900 -0.026 0.000 1.039 402 G CA 0.254 45.318 45.100 -0.060 0.000 0.759 402 G HN 0.863 nan 8.290 nan 0.000 0.501 403 G N -1.129 107.680 108.800 0.015 0.000 2.509 403 G HA2 0.751 4.711 3.960 0.000 0.000 0.328 403 G HA3 0.751 4.711 3.960 0.000 0.000 0.328 403 G C -0.490 174.444 174.900 0.056 0.000 1.194 403 G CA -0.719 44.402 45.100 0.035 0.000 0.967 403 G HN 0.908 nan 8.290 nan 0.000 0.488 404 I N -0.429 120.177 120.570 0.061 0.000 2.509 404 I HA 0.281 4.451 4.170 0.000 0.000 0.293 404 I C -0.249 175.912 176.117 0.072 0.000 1.020 404 I CA -0.894 60.444 61.300 0.063 0.000 1.088 404 I CB 1.700 39.728 38.000 0.047 0.000 1.267 404 I HN 0.404 nan 8.210 nan 0.000 0.430 405 c N 7.321 125.962 118.600 0.068 0.000 3.031 405 c HA 0.421 4.991 4.570 0.000 0.000 0.489 405 c C 0.858 174.983 174.090 0.058 0.000 1.020 405 c CA -0.174 56.191 56.329 0.060 0.000 1.104 405 c CB -2.286 40.256 42.510 0.054 0.000 1.470 405 c HN 0.637 nan 8.230 nan 0.000 0.583 406 A N 3.877 126.747 122.820 0.083 0.000 3.216 406 A HA 0.518 4.838 4.320 0.000 0.000 0.321 406 A C -2.501 175.193 177.584 0.184 0.000 1.042 406 A CA -0.871 51.225 52.037 0.098 0.000 0.838 406 A CB 0.311 19.350 19.000 0.065 0.000 1.136 406 A HN 0.480 nan 8.150 nan 0.000 0.483 407 P HA 0.451 nan 4.420 nan 0.000 0.271 407 P C -0.669 176.776 177.300 0.240 0.000 1.218 407 P CA 0.246 63.432 63.100 0.145 0.000 0.780 407 P CB 0.426 32.144 31.700 0.029 0.000 0.901 408 F N -1.113 118.844 119.950 0.012 0.000 2.613 408 F HA 0.784 5.311 4.527 0.000 0.000 0.314 408 F C -0.752 175.057 175.800 0.014 0.000 1.075 408 F CA -0.970 57.035 58.000 0.009 0.000 0.945 408 F CB 1.649 40.655 39.000 0.009 0.000 1.310 408 F HN 0.332 nan 8.300 nan 0.000 0.467 409 T N 0.501 115.114 114.554 0.099 0.000 2.887 409 T HA 0.816 5.166 4.350 0.000 0.000 0.288 409 T C -0.985 173.734 174.700 0.031 0.000 1.021 409 T CA -0.667 61.430 62.100 -0.004 0.000 1.000 409 T CB 1.852 70.721 68.868 0.002 0.000 1.034 409 T HN 0.756 nan 8.240 nan 0.000 0.467 410 I N 2.980 123.525 120.570 -0.042 0.000 2.534 410 I HA 0.390 4.560 4.170 0.000 0.000 0.288 410 I C -2.417 173.604 176.117 -0.160 0.000 1.077 410 I CA -2.570 58.621 61.300 -0.181 0.000 1.051 410 I CB 2.783 40.521 38.000 -0.436 0.000 1.234 410 I HN 0.486 nan 8.210 nan 0.000 0.425 411 P HA 0.147 nan 4.420 nan 0.000 0.272 411 P C -0.924 176.384 177.300 0.013 0.000 1.223 411 P CA -0.276 62.798 63.100 -0.044 0.000 0.784 411 P CB 0.623 32.300 31.700 -0.038 0.000 0.923 412 D N -0.262 120.199 120.400 0.102 0.000 2.400 412 D HA 0.236 4.876 4.640 0.000 0.000 0.238 412 D C -0.211 176.171 176.300 0.137 0.000 1.157 412 D CA 0.388 54.496 54.000 0.180 0.000 0.889 412 D CB 0.480 41.354 40.800 0.123 0.000 1.199 412 D HN 0.005 nan 8.370 nan 0.000 0.436 413 V N -0.013 120.010 119.914 0.181 0.000 3.012 413 V HA 0.695 4.815 4.120 0.000 0.000 0.307 413 V C -1.534 174.633 176.094 0.122 0.000 1.166 413 V CA -0.607 61.766 62.300 0.122 0.000 0.974 413 V CB 2.035 33.924 31.823 0.110 0.000 1.040 413 V HN 0.663 nan 8.190 nan 0.000 0.428 414 A N 5.558 128.424 122.820 0.076 0.000 2.337 414 A HA 1.002 5.322 4.320 0.000 0.000 0.329 414 A C -1.173 176.432 177.584 0.035 0.000 1.146 414 A CA -0.454 51.621 52.037 0.064 0.000 0.800 414 A CB 1.364 20.392 19.000 0.047 0.000 1.220 414 A HN 1.556 nan 8.150 nan 0.000 0.472 415 L N -1.267 119.968 121.223 0.020 0.000 2.654 415 L HA 0.798 5.138 4.340 0.000 0.000 0.257 415 L C -0.576 176.278 176.870 -0.027 0.000 1.093 415 L CA -0.847 53.981 54.840 -0.019 0.000 0.903 415 L CB 0.725 42.747 42.059 -0.062 0.000 1.520 415 L HN 0.472 nan 8.230 nan 0.000 0.402 416 E N 0.110 120.282 120.200 -0.048 0.000 2.212 416 E HA 0.511 4.862 4.350 0.000 0.000 0.270 416 E C -2.565 173.982 176.600 -0.088 0.000 0.956 416 E CA -2.032 54.340 56.400 -0.046 0.000 0.825 416 E CB 1.299 30.981 29.700 -0.031 0.000 1.167 416 E HN 0.444 nan 8.360 nan 0.000 0.400 417 P HA 0.017 nan 4.420 nan 0.000 0.262 417 P C 0.690 177.931 177.300 -0.099 0.000 1.182 417 P CA 1.118 64.157 63.100 -0.101 0.000 0.761 417 P CB 0.356 32.024 31.700 -0.052 0.000 0.795 418 G N 2.007 110.727 108.800 -0.134 0.000 2.284 418 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 418 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 418 G C 0.075 174.906 174.900 -0.115 0.000 1.009 418 G CA -0.412 44.624 45.100 -0.107 0.000 0.625 418 G HN 0.558 nan 8.290 nan 0.000 0.501 419 Q N 0.423 120.147 119.800 -0.127 0.000 2.312 419 Q HA 0.568 4.908 4.340 0.000 0.000 0.236 419 Q C 0.048 175.971 176.000 -0.129 0.000 0.965 419 Q CA -0.097 55.642 55.803 -0.108 0.000 0.894 419 Q CB 1.066 29.753 28.738 -0.085 0.000 1.225 419 Q HN 0.512 nan 8.270 nan 0.000 0.478 420 Q N 1.151 120.898 119.800 -0.089 0.000 2.330 420 Q HA 0.600 4.940 4.340 0.000 0.000 0.269 420 Q C -1.936 174.033 176.000 -0.052 0.000 1.022 420 Q CA -0.546 55.211 55.803 -0.076 0.000 0.796 420 Q CB 1.941 30.646 28.738 -0.056 0.000 1.271 420 Q HN 0.467 nan 8.270 nan 0.000 0.450 421 V N 3.091 122.979 119.914 -0.043 0.000 2.789 421 V HA 0.588 4.708 4.120 0.000 0.000 0.311 421 V C -1.135 174.952 176.094 -0.011 0.000 1.073 421 V CA -0.280 62.006 62.300 -0.023 0.000 0.921 421 V CB 2.710 34.523 31.823 -0.016 0.000 1.009 421 V HN 0.951 nan 8.190 nan 0.000 0.426 422 T N 5.537 120.083 114.554 -0.014 0.000 2.771 422 T HA 0.605 4.955 4.350 0.000 0.000 0.281 422 T C -0.473 174.210 174.700 -0.028 0.000 0.982 422 T CA -0.255 61.835 62.100 -0.016 0.000 0.978 422 T CB 1.173 70.032 68.868 -0.015 0.000 0.930 422 T HN 0.903 nan 8.240 nan 0.000 0.447 423 V N 2.504 122.389 119.914 -0.049 0.000 2.667 423 V HA 0.797 4.917 4.120 0.000 0.000 0.308 423 V C -2.617 173.426 176.094 -0.084 0.000 1.048 423 V CA -2.993 59.258 62.300 -0.081 0.000 0.928 423 V CB 1.452 33.184 31.823 -0.151 0.000 1.004 423 V HN 0.569 nan 8.190 nan 0.000 0.444 424 P HA 0.390 nan 4.420 nan 0.000 0.278 424 P C -0.873 176.389 177.300 -0.062 0.000 1.238 424 P CA -0.265 62.802 63.100 -0.054 0.000 0.794 424 P CB 1.699 33.377 31.700 -0.036 0.000 0.955 425 V N 2.029 121.923 119.914 -0.034 0.000 2.448 425 V HA 0.593 4.713 4.120 0.000 0.000 0.295 425 V C 0.290 176.400 176.094 0.025 0.000 1.025 425 V CA -0.763 61.542 62.300 0.008 0.000 0.859 425 V CB 1.337 33.169 31.823 0.015 0.000 0.988 425 V HN 0.734 nan 8.190 nan 0.000 0.431 426 A N 4.832 127.688 122.820 0.059 0.000 2.267 426 A HA 0.758 5.078 4.320 0.000 0.000 0.315 426 A C -0.617 177.033 177.584 0.110 0.000 1.297 426 A CA -0.482 51.588 52.037 0.056 0.000 0.865 426 A CB 1.042 20.061 19.000 0.032 0.000 1.165 426 A HN 0.668 nan 8.150 nan 0.000 0.513 427 V N 3.185 123.145 119.914 0.077 0.000 2.368 427 V HA 0.257 4.377 4.120 0.000 0.000 0.266 427 V C 0.411 176.543 176.094 0.062 0.000 1.045 427 V CA -0.148 62.208 62.300 0.093 0.000 0.899 427 V CB 1.001 32.818 31.823 -0.010 0.000 1.006 427 V HN 0.841 nan 8.190 nan 0.000 0.470 428 T N 4.615 119.216 114.554 0.078 0.000 2.739 428 T HA 0.138 4.488 4.350 0.000 0.000 0.298 428 T C 0.315 175.039 174.700 0.040 0.000 0.929 428 T CA -0.138 61.989 62.100 0.044 0.000 1.014 428 T CB -0.179 68.709 68.868 0.033 0.000 0.914 428 T HN 0.626 nan 8.240 nan 0.000 0.509 429 N N 3.194 121.909 118.700 0.025 0.000 2.415 429 N HA 0.092 4.833 4.740 0.000 0.000 0.246 429 N C 0.627 176.148 175.510 0.018 0.000 1.078 429 N CA -0.218 52.845 53.050 0.022 0.000 0.942 429 N CB 0.717 39.210 38.487 0.011 0.000 1.140 429 N HN 0.516 nan 8.380 nan 0.000 0.501 430 Q N 1.063 120.876 119.800 0.023 0.000 2.220 430 Q HA 0.099 4.439 4.340 0.000 0.000 0.205 430 Q C 0.918 176.932 176.000 0.024 0.000 0.865 430 Q CA -0.084 55.730 55.803 0.018 0.000 0.960 430 Q CB 0.390 29.136 28.738 0.013 0.000 1.097 430 Q HN 0.727 nan 8.270 nan 0.000 0.493 431 S N -1.214 114.502 115.700 0.026 0.000 2.478 431 S HA 0.162 4.632 4.470 0.000 0.000 0.222 431 S C 1.708 176.322 174.600 0.024 0.000 1.008 431 S CA 0.467 58.687 58.200 0.032 0.000 0.928 431 S CB 0.203 63.424 63.200 0.035 0.000 0.781 431 S HN 0.484 nan 8.310 nan 0.000 0.518 432 G N 1.946 110.754 108.800 0.015 0.000 2.205 432 G HA2 -0.269 3.691 3.960 0.000 0.000 0.261 432 G HA3 -0.269 3.691 3.960 0.000 0.000 0.261 432 G C 0.145 175.050 174.900 0.008 0.000 0.980 432 G CA 0.374 45.479 45.100 0.008 0.000 0.632 432 G HN 0.995 nan 8.290 nan 0.000 0.533 433 I N -1.305 119.273 120.570 0.012 0.000 2.607 433 I HA 0.855 5.025 4.170 0.000 0.000 0.305 433 I C 0.371 176.491 176.117 0.007 0.000 0.995 433 I CA -0.803 60.504 61.300 0.011 0.000 1.148 433 I CB 2.006 40.017 38.000 0.017 0.000 1.323 433 I HN 0.408 nan 8.210 nan 0.000 0.461 434 A N 5.001 127.823 122.820 0.004 0.000 2.363 434 A HA 0.595 4.915 4.320 0.000 0.000 0.270 434 A C -0.336 177.247 177.584 -0.000 0.000 1.121 434 A CA -0.402 51.635 52.037 0.001 0.000 0.800 434 A CB 0.730 19.730 19.000 -0.000 0.000 1.052 434 A HN 0.601 nan 8.150 nan 0.000 0.493 435 V N 5.394 125.304 119.914 -0.005 0.000 2.357 435 V HA 0.239 4.359 4.120 0.000 0.000 0.281 435 V C -1.908 174.178 176.094 -0.013 0.000 1.015 435 V CA -0.830 61.464 62.300 -0.009 0.000 0.827 435 V CB 1.437 33.252 31.823 -0.014 0.000 1.018 435 V HN 0.811 nan 8.190 nan 0.000 0.432 436 P HA -0.037 nan 4.420 nan 0.000 0.219 436 P C 0.398 177.689 177.300 -0.015 0.000 1.150 436 P CA 1.065 64.158 63.100 -0.011 0.000 0.814 436 P CB 0.235 31.931 31.700 -0.007 0.000 0.787 437 K N -0.496 119.894 120.400 -0.016 0.000 3.022 437 K HA 0.332 4.652 4.320 0.000 0.000 0.178 437 K C -2.599 173.985 176.600 -0.027 0.000 1.089 437 K CA -1.704 54.571 56.287 -0.019 0.000 0.916 437 K CB 0.396 32.888 32.500 -0.013 0.000 1.159 437 K HN 0.187 nan 8.250 nan 0.000 0.592 438 P HA 0.079 nan 4.420 nan 0.000 0.271 438 P C -0.093 177.172 177.300 -0.058 0.000 1.218 438 P CA 0.048 63.114 63.100 -0.057 0.000 0.780 438 P CB 0.988 32.640 31.700 -0.080 0.000 0.901 439 S N 1.525 117.188 115.700 -0.062 0.000 2.634 439 S HA 0.679 5.149 4.470 0.000 0.000 0.296 439 S C -0.955 173.597 174.600 -0.079 0.000 1.104 439 S CA -0.845 57.322 58.200 -0.055 0.000 0.920 439 S CB 1.430 64.613 63.200 -0.030 0.000 1.111 439 S HN 0.312 nan 8.310 nan 0.000 0.493 440 L N 1.559 122.746 121.223 -0.060 0.000 2.343 440 L HA 0.524 4.865 4.340 0.000 0.000 0.278 440 L C -0.578 176.299 176.870 0.011 0.000 0.996 440 L CA -0.219 54.589 54.840 -0.053 0.000 0.831 440 L CB 1.548 43.570 42.059 -0.061 0.000 1.232 440 L HN 0.930 nan 8.230 nan 0.000 0.413 441 Q N 4.299 124.122 119.800 0.037 0.000 2.307 441 Q HA 0.594 4.934 4.340 0.000 0.000 0.262 441 Q C -1.607 174.448 176.000 0.091 0.000 0.961 441 Q CA -0.698 55.137 55.803 0.054 0.000 0.882 441 Q CB 1.570 30.330 28.738 0.038 0.000 1.264 441 Q HN 0.670 nan 8.270 nan 0.000 0.446 442 L N 2.437 123.716 121.223 0.094 0.000 2.334 442 L HA 0.441 4.781 4.340 0.000 0.000 0.273 442 L C -0.574 176.333 176.870 0.061 0.000 1.013 442 L CA -0.626 54.283 54.840 0.116 0.000 0.816 442 L CB 1.729 43.890 42.059 0.170 0.000 1.278 442 L HN 0.558 nan 8.230 nan 0.000 0.431 443 D N 1.706 122.123 120.400 0.028 0.000 2.462 443 D HA 0.695 5.335 4.640 0.000 0.000 0.245 443 D C -0.993 175.255 176.300 -0.086 0.000 1.122 443 D CA -0.098 53.888 54.000 -0.024 0.000 0.864 443 D CB 1.377 42.160 40.800 -0.029 0.000 1.098 443 D HN 0.645 nan 8.370 nan 0.000 0.541 444 A N 2.199 124.958 122.820 -0.101 0.000 2.483 444 A HA 0.733 5.053 4.320 0.000 0.000 0.286 444 A C -0.089 177.299 177.584 -0.326 0.000 1.207 444 A CA -0.745 51.157 52.037 -0.225 0.000 0.764 444 A CB 1.089 20.044 19.000 -0.075 0.000 1.341 444 A HN 0.393 nan 8.150 nan 0.000 0.428 445 S N 1.353 116.637 115.700 -0.692 0.000 2.561 445 S HA 0.116 4.587 4.470 0.000 0.000 0.294 445 S C -1.578 172.858 174.600 -0.273 0.000 1.294 445 S CA 0.078 57.905 58.200 -0.621 0.000 1.055 445 S CB 0.284 62.795 63.200 -1.148 0.000 0.819 445 S HN 0.490 nan 8.310 nan 0.000 0.503 446 P HA -0.113 nan 4.420 nan 0.000 0.219 446 P C 0.642 177.954 177.300 0.021 0.000 1.146 446 P CA 1.039 64.113 63.100 -0.044 0.000 0.808 446 P CB 0.014 31.694 31.700 -0.033 0.000 0.779 447 D N -4.050 116.390 120.400 0.067 0.000 2.398 447 D HA -0.021 4.620 4.640 0.000 0.000 0.210 447 D C -0.038 176.415 176.300 0.255 0.000 1.094 447 D CA -0.259 53.823 54.000 0.138 0.000 0.839 447 D CB -0.562 40.313 40.800 0.125 0.000 0.963 447 D HN 0.053 nan 8.370 nan 0.000 0.506 448 W N 1.623 122.890 121.300 -0.055 0.000 2.261 448 W HA 0.448 5.108 4.660 0.000 0.000 0.323 448 W C 0.282 176.782 176.519 -0.033 0.000 1.243 448 W CA -0.800 56.508 57.345 -0.062 0.000 1.210 448 W CB 0.498 29.905 29.460 -0.089 0.000 1.149 448 W HN -0.210 nan 8.180 nan 0.000 0.562 449 Q N 1.603 121.490 119.800 0.145 0.000 2.337 449 Q HA 0.441 4.781 4.340 0.000 0.000 0.255 449 Q C -0.650 175.417 176.000 0.112 0.000 0.997 449 Q CA -0.101 55.759 55.803 0.094 0.000 0.925 449 Q CB 0.859 29.617 28.738 0.034 0.000 1.212 449 Q HN 0.176 nan 8.270 nan 0.000 0.436 450 V N 3.314 123.310 119.914 0.137 0.000 2.735 450 V HA 0.653 4.773 4.120 0.000 0.000 0.310 450 V C -0.541 175.616 176.094 0.105 0.000 1.061 450 V CA -0.875 61.514 62.300 0.148 0.000 0.913 450 V CB 1.878 33.823 31.823 0.204 0.000 1.005 450 V HN 0.801 nan 8.190 nan 0.000 0.428 451 Q N 2.119 121.976 119.800 0.095 0.000 2.472 451 Q HA 0.831 5.171 4.340 0.000 0.000 0.281 451 Q C -0.773 175.266 176.000 0.064 0.000 0.997 451 Q CA -0.839 55.005 55.803 0.067 0.000 0.828 451 Q CB 2.544 31.308 28.738 0.043 0.000 1.443 451 Q HN 0.956 nan 8.270 nan 0.000 0.390 452 G N 0.300 109.129 108.800 0.048 0.000 2.684 452 G HA2 0.754 4.714 3.960 0.000 0.000 0.290 452 G HA3 0.754 4.714 3.960 0.000 0.000 0.290 452 G C -1.353 173.550 174.900 0.005 0.000 1.425 452 G CA -0.322 44.798 45.100 0.033 0.000 0.822 452 G HN 1.174 nan 8.290 nan 0.000 0.482 453 S N -2.015 113.676 115.700 -0.015 0.000 2.543 453 S HA 0.739 5.209 4.470 0.000 0.000 0.274 453 S C -1.439 173.130 174.600 -0.052 0.000 1.149 453 S CA -0.453 57.729 58.200 -0.031 0.000 0.866 453 S CB 1.519 64.707 63.200 -0.020 0.000 1.111 453 S HN 2.088 nan 8.310 nan 0.000 0.457 454 V N 1.113 120.988 119.914 -0.066 0.000 2.789 454 V HA 0.628 4.748 4.120 0.000 0.000 0.311 454 V C -0.602 175.456 176.094 -0.059 0.000 1.073 454 V CA -0.622 61.630 62.300 -0.080 0.000 0.921 454 V CB 1.751 33.490 31.823 -0.141 0.000 1.009 454 V HN 1.064 nan 8.190 nan 0.000 0.426 455 E N 5.693 125.864 120.200 -0.048 0.000 2.392 455 E HA 0.305 4.655 4.350 0.000 0.000 0.259 455 E C -2.464 174.113 176.600 -0.038 0.000 1.108 455 E CA -1.610 54.769 56.400 -0.036 0.000 0.916 455 E CB 0.229 29.912 29.700 -0.028 0.000 0.989 455 E HN 0.588 nan 8.360 nan 0.000 0.432 456 P HA -0.056 nan 4.420 nan 0.000 0.265 456 P C -0.687 176.598 177.300 -0.025 0.000 1.187 456 P CA 0.552 63.636 63.100 -0.026 0.000 0.766 456 P CB 0.324 32.013 31.700 -0.018 0.000 0.820 457 L N 3.383 124.590 121.223 -0.025 0.000 2.326 457 L HA 0.430 4.770 4.340 0.000 0.000 0.278 457 L C 0.592 177.456 176.870 -0.011 0.000 1.092 457 L CA -0.116 54.712 54.840 -0.020 0.000 0.810 457 L CB 0.194 42.240 42.059 -0.021 0.000 1.153 457 L HN 0.223 nan 8.230 nan 0.000 0.439 458 M N 4.430 124.025 119.600 -0.008 0.000 2.393 458 M HA 0.408 4.888 4.480 0.000 0.000 0.316 458 M C -2.483 173.815 176.300 -0.002 0.000 1.087 458 M CA -1.873 53.424 55.300 -0.005 0.000 0.937 458 M CB 2.499 35.096 32.600 -0.006 0.000 1.668 458 M HN 0.217 nan 8.290 nan 0.000 0.438 459 P HA 0.032 nan 4.420 nan 0.000 0.262 459 P C 0.796 178.095 177.300 -0.000 0.000 1.182 459 P CA 0.934 64.034 63.100 0.001 0.000 0.761 459 P CB 0.365 32.066 31.700 0.000 0.000 0.795 460 G N 2.352 111.152 108.800 0.001 0.000 2.168 460 G HA2 -0.236 3.724 3.960 0.000 0.000 0.263 460 G HA3 -0.236 3.724 3.960 0.000 0.000 0.263 460 G C 0.230 175.130 174.900 -0.001 0.000 0.977 460 G CA -0.085 45.015 45.100 -0.001 0.000 0.659 460 G HN 0.625 nan 8.290 nan 0.000 0.533 461 R N -0.251 120.249 120.500 0.000 0.000 2.803 461 R HA 0.480 4.820 4.340 0.000 0.000 0.276 461 R C -0.016 176.285 176.300 0.001 0.000 0.978 461 R CA -0.747 55.353 56.100 -0.001 0.000 0.939 461 R CB 1.029 31.327 30.300 -0.003 0.000 1.179 461 R HN 0.394 nan 8.270 nan 0.000 0.472 462 Q N 0.490 120.291 119.800 0.002 0.000 2.259 462 Q HA 0.518 4.858 4.340 0.000 0.000 0.249 462 Q C -0.665 175.335 176.000 -0.002 0.000 0.914 462 Q CA -0.356 55.450 55.803 0.004 0.000 0.904 462 Q CB 1.874 30.615 28.738 0.006 0.000 1.213 462 Q HN 0.585 nan 8.270 nan 0.000 0.428 463 A N 2.710 125.528 122.820 -0.004 0.000 2.350 463 A HA 0.526 4.846 4.320 0.000 0.000 0.324 463 A C -0.839 176.736 177.584 -0.015 0.000 1.118 463 A CA -0.770 51.258 52.037 -0.015 0.000 0.783 463 A CB 1.006 19.989 19.000 -0.028 0.000 1.236 463 A HN 0.639 nan 8.150 nan 0.000 0.457 464 K N 0.559 120.948 120.400 -0.019 0.000 2.118 464 K HA 0.651 4.971 4.320 0.000 0.000 0.267 464 K C 0.306 176.887 176.600 -0.031 0.000 0.991 464 K CA -0.069 56.207 56.287 -0.019 0.000 0.916 464 K CB 1.872 34.362 32.500 -0.017 0.000 1.041 464 K HN 0.872 nan 8.250 nan 0.000 0.455 465 G N 0.552 109.334 108.800 -0.031 0.000 2.782 465 G HA2 0.503 4.463 3.960 0.000 0.000 0.304 465 G HA3 0.503 4.463 3.960 0.000 0.000 0.304 465 G C -1.876 173.005 174.900 -0.032 0.000 1.315 465 G CA -0.689 44.388 45.100 -0.039 0.000 0.791 465 G HN 0.560 nan 8.290 nan 0.000 0.519 466 Q N -1.692 118.089 119.800 -0.031 0.000 2.426 466 Q HA 0.677 5.017 4.340 0.000 0.000 0.278 466 Q C -1.883 174.105 176.000 -0.020 0.000 1.007 466 Q CA -0.915 54.871 55.803 -0.029 0.000 0.850 466 Q CB 2.365 31.090 28.738 -0.022 0.000 1.427 466 Q HN 0.557 nan 8.270 nan 0.000 0.391 467 V N 1.594 121.491 119.914 -0.029 0.000 2.588 467 V HA 0.673 4.794 4.120 0.000 0.000 0.304 467 V C -0.766 175.339 176.094 0.017 0.000 1.042 467 V CA -0.487 61.818 62.300 0.009 0.000 0.877 467 V CB 2.254 34.083 31.823 0.010 0.000 0.996 467 V HN 0.951 nan 8.190 nan 0.000 0.425 468 T N 6.141 120.720 114.554 0.042 0.000 2.770 468 T HA 0.722 5.072 4.350 0.000 0.000 0.283 468 T C -0.453 174.282 174.700 0.059 0.000 0.988 468 T CA -0.094 62.026 62.100 0.034 0.000 0.957 468 T CB 0.747 69.626 68.868 0.018 0.000 0.930 468 T HN 0.384 nan 8.240 nan 0.000 0.443 469 I N 2.642 123.239 120.570 0.046 0.000 2.436 469 I HA 0.398 4.568 4.170 0.000 0.000 0.289 469 I C 0.074 176.150 176.117 -0.068 0.000 1.010 469 I CA -0.618 60.707 61.300 0.042 0.000 1.098 469 I CB 2.147 40.213 38.000 0.110 0.000 1.266 469 I HN 0.473 nan 8.210 nan 0.000 0.434 470 T N 5.255 119.746 114.554 -0.106 0.000 2.786 470 T HA 0.474 4.824 4.350 0.000 0.000 0.283 470 T C -0.268 174.191 174.700 -0.401 0.000 0.992 470 T CA -0.524 61.460 62.100 -0.193 0.000 0.954 470 T CB 1.573 70.374 68.868 -0.110 0.000 0.934 470 T HN 0.165 nan 8.240 nan 0.000 0.440 471 V N 6.564 126.145 119.914 -0.554 0.000 2.407 471 V HA 0.340 4.460 4.120 0.000 0.000 0.278 471 V C -2.137 173.691 176.094 -0.443 0.000 1.037 471 V CA -2.197 59.590 62.300 -0.855 0.000 0.900 471 V CB 1.145 32.397 31.823 -0.951 0.000 0.983 471 V HN 0.680 nan 8.190 nan 0.000 0.459 472 P HA 0.225 nan 4.420 nan 0.000 0.271 472 P C -0.243 176.984 177.300 -0.121 0.000 1.218 472 P CA -0.118 62.892 63.100 -0.151 0.000 0.780 472 P CB 0.547 32.213 31.700 -0.056 0.000 0.901 473 A N 2.480 125.252 122.820 -0.080 0.000 2.520 473 A HA 0.401 4.721 4.320 0.000 0.000 0.235 473 A C 1.544 179.113 177.584 -0.026 0.000 1.065 473 A CA 0.873 52.879 52.037 -0.052 0.000 0.764 473 A CB -1.422 17.556 19.000 -0.037 0.000 1.002 473 A HN 0.891 nan 8.150 nan 0.000 0.502 474 G N 1.142 109.936 108.800 -0.010 0.000 2.176 474 G HA2 -0.207 3.754 3.960 0.000 0.000 0.253 474 G HA3 -0.207 3.754 3.960 0.000 0.000 0.253 474 G C 0.458 175.380 174.900 0.037 0.000 0.979 474 G CA 0.483 45.591 45.100 0.014 0.000 0.641 474 G HN 1.250 nan 8.290 nan 0.000 0.530 475 T N 2.639 117.209 114.554 0.027 0.000 2.888 475 T HA 0.444 4.794 4.350 0.000 0.000 0.301 475 T C 0.843 175.615 174.700 0.120 0.000 1.001 475 T CA 0.853 63.002 62.100 0.083 0.000 1.147 475 T CB 0.956 69.839 68.868 0.024 0.000 0.931 475 T HN 0.302 nan 8.240 nan 0.000 0.541 476 T N 6.763 121.429 114.554 0.186 0.000 2.888 476 T HA 0.187 4.537 4.350 0.000 0.000 0.301 476 T C -2.039 172.806 174.700 0.241 0.000 1.001 476 T CA -0.926 61.282 62.100 0.180 0.000 1.147 476 T CB 0.275 69.251 68.868 0.181 0.000 0.931 476 T HN 0.346 nan 8.240 nan 0.000 0.541 477 P HA 0.414 nan 4.420 nan 0.000 0.267 477 P C 0.342 177.734 177.300 0.153 0.000 1.200 477 P CA 0.383 63.576 63.100 0.155 0.000 0.772 477 P CB 0.482 32.224 31.700 0.070 0.000 0.855 478 G N 0.950 109.843 108.800 0.157 0.000 2.341 478 G HA2 0.211 4.171 3.960 0.000 0.000 0.293 478 G HA3 0.211 4.171 3.960 0.000 0.000 0.293 478 G C -1.666 173.189 174.900 -0.075 0.000 1.298 478 G CA -0.935 44.141 45.100 -0.040 0.000 0.868 478 G HN 0.398 nan 8.290 nan 0.000 0.540 479 R N -0.363 119.982 120.500 -0.259 0.000 2.294 479 R HA 0.553 4.894 4.340 0.000 0.000 0.319 479 R C -1.370 174.704 176.300 -0.378 0.000 0.984 479 R CA -0.427 55.575 56.100 -0.163 0.000 0.861 479 R CB 1.157 31.395 30.300 -0.103 0.000 1.104 479 R HN 0.485 nan 8.270 nan 0.000 0.451 480 Y N 1.789 122.105 120.300 0.026 0.000 2.326 480 Y HA 0.316 4.866 4.550 0.000 0.000 0.331 480 Y C 0.278 176.089 175.900 -0.148 0.000 0.962 480 Y CA -0.813 57.236 58.100 -0.085 0.000 1.167 480 Y CB 1.477 39.867 38.460 -0.116 0.000 1.148 480 Y HN 0.319 nan 8.280 nan 0.000 0.463 481 R N 2.468 122.917 120.500 -0.086 0.000 2.347 481 R HA 0.562 4.902 4.340 0.000 0.000 0.304 481 R C -1.400 174.750 176.300 -0.249 0.000 1.072 481 R CA -0.247 55.761 56.100 -0.153 0.000 0.980 481 R CB 0.499 30.726 30.300 -0.121 0.000 0.986 481 R HN 0.519 nan 8.270 nan 0.000 0.448 482 V N 4.033 123.690 119.914 -0.429 0.000 2.448 482 V HA 0.475 4.595 4.120 0.000 0.000 0.295 482 V C 0.576 176.453 176.094 -0.363 0.000 1.025 482 V CA -0.704 61.292 62.300 -0.506 0.000 0.859 482 V CB 1.744 33.006 31.823 -0.935 0.000 0.988 482 V HN 0.968 nan 8.190 nan 0.000 0.431 483 G N 2.935 111.639 108.800 -0.160 0.000 2.425 483 G HA2 0.736 4.696 3.960 0.000 0.000 0.302 483 G HA3 0.736 4.696 3.960 0.000 0.000 0.302 483 G C -0.598 174.345 174.900 0.072 0.000 1.159 483 G CA -0.157 44.920 45.100 -0.038 0.000 0.865 483 G HN 1.157 nan 8.290 nan 0.000 0.515 484 A N 0.762 123.681 122.820 0.165 0.000 2.422 484 A HA 0.807 5.127 4.320 0.000 0.000 0.302 484 A C -0.330 177.463 177.584 0.349 0.000 1.041 484 A CA -0.566 51.654 52.037 0.305 0.000 0.708 484 A CB 1.819 21.121 19.000 0.504 0.000 1.257 484 A HN 0.695 nan 8.150 nan 0.000 0.414 485 T N 2.289 117.014 114.554 0.286 0.000 2.812 485 T HA 0.477 4.828 4.350 0.000 0.000 0.282 485 T C -0.765 174.004 174.700 0.116 0.000 0.990 485 T CA -0.272 61.977 62.100 0.248 0.000 0.960 485 T CB 1.117 70.058 68.868 0.121 0.000 0.948 485 T HN 0.585 nan 8.240 nan 0.000 0.438 486 L N 4.779 126.029 121.223 0.045 0.000 2.278 486 L HA 0.441 4.781 4.340 0.000 0.000 0.287 486 L C -0.005 176.833 176.870 -0.053 0.000 1.072 486 L CA -0.044 54.680 54.840 -0.194 0.000 0.819 486 L CB 0.041 41.851 42.059 -0.414 0.000 1.176 486 L HN 0.497 nan 8.230 nan 0.000 0.435 487 R N 3.442 123.910 120.500 -0.053 0.000 2.294 487 R HA 0.647 4.988 4.340 0.000 0.000 0.319 487 R C -0.409 175.872 176.300 -0.032 0.000 0.984 487 R CA -0.496 55.589 56.100 -0.025 0.000 0.861 487 R CB 1.393 31.685 30.300 -0.014 0.000 1.104 487 R HN 0.723 nan 8.270 nan 0.000 0.451 488 T N -2.232 112.311 114.554 -0.018 0.000 2.896 488 T HA 0.134 4.484 4.350 0.000 0.000 0.297 488 T C 1.109 175.808 174.700 -0.002 0.000 1.108 488 T CA -0.665 61.426 62.100 -0.014 0.000 1.004 488 T CB 1.738 70.598 68.868 -0.014 0.000 1.159 488 T HN 0.473 nan 8.240 nan 0.000 0.499 489 S N 0.634 116.334 115.700 0.001 0.000 2.447 489 S HA 0.063 4.533 4.470 0.000 0.000 0.233 489 S C 1.817 176.427 174.600 0.015 0.000 1.006 489 S CA 0.515 58.720 58.200 0.008 0.000 0.957 489 S CB -0.698 62.507 63.200 0.009 0.000 0.773 489 S HN 1.204 nan 8.310 nan 0.000 0.507 490 A N 0.833 123.663 122.820 0.017 0.000 2.415 490 A HA 0.650 4.971 4.320 0.000 0.000 0.248 490 A C 1.062 178.664 177.584 0.030 0.000 1.299 490 A CA 0.098 52.151 52.037 0.027 0.000 0.899 490 A CB -0.920 18.097 19.000 0.027 0.000 0.997 490 A HN 1.483 nan 8.150 nan 0.000 0.506 491 G N -0.453 108.360 108.800 0.021 0.000 2.497 491 G HA2 0.041 4.001 3.960 0.000 0.000 0.686 491 G HA3 0.041 4.001 3.960 0.000 0.000 0.686 491 G C -1.451 173.460 174.900 0.018 0.000 1.288 491 G CA -0.787 44.325 45.100 0.019 0.000 0.899 491 G HN 0.337 nan 8.290 nan 0.000 0.608 492 N N -0.311 118.401 118.700 0.020 0.000 2.292 492 N HA 0.890 5.630 4.740 0.000 0.000 0.303 492 N C 0.136 175.690 175.510 0.074 0.000 1.140 492 N CA 0.344 53.415 53.050 0.035 0.000 0.788 492 N CB 1.996 40.494 38.487 0.019 0.000 1.361 492 N HN 1.414 nan 8.380 nan 0.000 0.489 493 A N -0.022 122.880 122.820 0.137 0.000 2.479 493 A HA 0.856 5.176 4.320 0.000 0.000 0.296 493 A C -0.618 177.180 177.584 0.356 0.000 1.121 493 A CA -0.520 51.651 52.037 0.222 0.000 0.743 493 A CB 1.121 20.285 19.000 0.275 0.000 1.323 493 A HN 0.696 nan 8.150 nan 0.000 0.415 494 S N -0.595 115.251 115.700 0.245 0.000 2.618 494 S HA 0.904 5.374 4.470 0.000 0.000 0.277 494 S C -0.553 173.929 174.600 -0.197 0.000 1.138 494 S CA 0.001 58.291 58.200 0.150 0.000 0.844 494 S CB 1.815 65.072 63.200 0.096 0.000 1.127 494 S HN 1.672 nan 8.310 nan 0.000 0.474 495 T N 0.374 114.758 114.554 -0.283 0.000 2.762 495 T HA 0.795 5.145 4.350 0.000 0.000 0.301 495 T C -1.256 173.387 174.700 -0.095 0.000 1.299 495 T CA 0.028 61.929 62.100 -0.331 0.000 1.005 495 T CB 1.403 69.832 68.868 -0.732 0.000 1.377 495 T HN 1.411 nan 8.240 nan 0.000 0.504 496 T N 0.249 114.783 114.554 -0.035 0.000 2.916 496 T HA 0.893 5.243 4.350 0.000 0.000 0.292 496 T C -1.048 173.736 174.700 0.141 0.000 1.064 496 T CA -0.806 61.303 62.100 0.015 0.000 1.011 496 T CB 1.559 70.406 68.868 -0.034 0.000 1.152 496 T HN 0.834 nan 8.240 nan 0.000 0.510 497 F N -1.848 118.105 119.950 0.005 0.000 2.686 497 F HA 0.771 5.298 4.527 0.000 0.000 0.311 497 F C -1.112 174.720 175.800 0.054 0.000 1.128 497 F CA -1.084 56.929 58.000 0.023 0.000 0.946 497 F CB 1.190 40.211 39.000 0.036 0.000 1.336 497 F HN 0.612 nan 8.300 nan 0.000 0.457 498 T N 2.116 116.776 114.554 0.176 0.000 2.794 498 T HA 0.621 4.971 4.350 0.000 0.000 0.280 498 T C -0.931 173.907 174.700 0.230 0.000 0.987 498 T CA -0.601 61.557 62.100 0.096 0.000 0.993 498 T CB 1.663 70.580 68.868 0.082 0.000 0.939 498 T HN 0.567 nan 8.240 nan 0.000 0.449 499 V N 3.694 123.748 119.914 0.233 0.000 2.384 499 V HA 0.387 4.507 4.120 0.000 0.000 0.287 499 V C 0.318 176.625 176.094 0.356 0.000 1.020 499 V CA -0.649 61.853 62.300 0.336 0.000 0.850 499 V CB 1.682 33.784 31.823 0.465 0.000 0.987 499 V HN 0.955 nan 8.190 nan 0.000 0.436 500 T N 5.016 119.718 114.554 0.245 0.000 2.749 500 T HA 0.500 4.850 4.350 0.000 0.000 0.287 500 T C -0.231 174.585 174.700 0.193 0.000 0.970 500 T CA -0.238 61.987 62.100 0.209 0.000 0.980 500 T CB 1.251 70.189 68.868 0.117 0.000 0.924 500 T HN 0.358 nan 8.240 nan 0.000 0.456 501 V N 2.983 123.049 119.914 0.254 0.000 2.370 501 V HA 0.601 4.721 4.120 0.000 0.000 0.283 501 V C 1.196 177.363 176.094 0.120 0.000 1.023 501 V CA -0.443 61.955 62.300 0.164 0.000 0.857 501 V CB 0.924 32.870 31.823 0.205 0.000 0.985 501 V HN 1.160 nan 8.190 nan 0.000 0.443 502 G N 4.614 113.448 108.800 0.057 0.000 2.258 502 G HA2 -0.233 3.728 3.960 0.000 0.000 0.274 502 G HA3 -0.233 3.728 3.960 0.000 0.000 0.274 502 G C -0.124 174.790 174.900 0.024 0.000 1.021 502 G CA 0.463 45.582 45.100 0.033 0.000 0.798 502 G HN 0.566 nan 8.290 nan 0.000 0.507 503 L N -0.288 120.952 121.223 0.028 0.000 2.325 503 L HA 0.561 4.901 4.340 0.000 0.000 0.278 503 L C 1.227 178.081 176.870 -0.027 0.000 1.023 503 L CA -1.230 53.614 54.840 0.006 0.000 0.811 503 L CB 1.382 43.453 42.059 0.019 0.000 1.249 503 L HN -0.021 nan 8.230 nan 0.000 0.431 504 L N 1.199 122.383 121.223 -0.066 0.000 2.467 504 L HA 0.067 4.407 4.340 0.000 0.000 0.270 504 L C 0.272 177.092 176.870 -0.084 0.000 1.205 504 L CA -0.151 54.608 54.840 -0.136 0.000 0.828 504 L CB 0.296 42.223 42.059 -0.219 0.000 1.101 504 L HN 0.572 nan 8.230 nan 0.000 0.479 505 D N 1.478 121.823 120.400 -0.092 0.000 2.344 505 D HA 0.021 4.661 4.640 0.000 0.000 0.253 505 D C 0.947 177.224 176.300 -0.039 0.000 1.255 505 D CA 0.197 54.171 54.000 -0.044 0.000 0.894 505 D CB 1.012 41.795 40.800 -0.028 0.000 1.067 505 D HN 0.416 nan 8.370 nan 0.000 0.492 506 Q N 2.721 122.509 119.800 -0.021 0.000 2.197 506 Q HA -0.211 4.129 4.340 0.000 0.000 0.207 506 Q C 1.706 177.702 176.000 -0.007 0.000 0.984 506 Q CA 1.562 57.358 55.803 -0.012 0.000 0.869 506 Q CB -0.015 28.721 28.738 -0.003 0.000 0.906 506 Q HN 0.660 nan 8.270 nan 0.000 0.426 507 A N 0.871 123.689 122.820 -0.004 0.000 2.067 507 A HA -0.143 4.177 4.320 0.000 0.000 0.219 507 A C 1.812 179.397 177.584 0.002 0.000 1.158 507 A CA 0.908 52.945 52.037 -0.000 0.000 0.661 507 A CB -0.207 18.794 19.000 0.002 0.000 0.801 507 A HN 0.195 nan 8.150 nan 0.000 0.452 508 R N -1.099 119.401 120.500 -0.001 0.000 2.299 508 R HA 0.198 4.538 4.340 0.000 0.000 0.197 508 R C 0.220 176.522 176.300 0.003 0.000 0.971 508 R CA 0.076 56.180 56.100 0.006 0.000 1.030 508 R CB -0.112 30.198 30.300 0.016 0.000 0.932 508 R HN 0.529 nan 8.270 nan 0.000 0.477 509 M N -0.126 119.473 119.600 -0.002 0.000 2.368 509 M HA 0.219 4.699 4.480 0.000 0.000 0.311 509 M C 0.156 176.462 176.300 0.011 0.000 1.168 509 M CA -0.236 55.066 55.300 0.002 0.000 1.044 509 M CB 1.833 34.434 32.600 0.003 0.000 1.506 509 M HN -0.076 nan 8.290 nan 0.000 0.475 510 S N 0.214 115.927 115.700 0.022 0.000 2.607 510 S HA 0.614 5.084 4.470 0.000 0.000 0.273 510 S C -0.825 173.798 174.600 0.037 0.000 1.148 510 S CA -1.116 57.100 58.200 0.026 0.000 0.833 510 S CB 1.138 64.357 63.200 0.031 0.000 1.130 510 S HN 0.505 nan 8.310 nan 0.000 0.470 511 I N 2.108 122.689 120.570 0.017 0.000 2.452 511 I HA 0.276 4.446 4.170 0.000 0.000 0.287 511 I C 1.441 177.586 176.117 0.046 0.000 1.079 511 I CA -0.137 61.163 61.300 0.001 0.000 1.387 511 I CB 0.351 38.321 38.000 -0.051 0.000 1.404 511 I HN 1.003 nan 8.210 nan 0.000 0.522 512 A N 6.044 128.920 122.820 0.094 0.000 1.903 512 A HA 0.026 4.346 4.320 0.000 0.000 0.213 512 A C 0.395 178.013 177.584 0.057 0.000 1.185 512 A CA 1.089 53.208 52.037 0.138 0.000 0.628 512 A CB -0.095 19.074 19.000 0.282 0.000 0.830 512 A HN 0.823 nan 8.150 nan 0.000 0.446 513 D N -4.317 116.084 120.400 0.003 0.000 2.671 513 D HA 0.512 5.152 4.640 0.000 0.000 0.273 513 D C -1.116 175.117 176.300 -0.111 0.000 1.264 513 D CA -0.403 53.572 54.000 -0.042 0.000 0.788 513 D CB 1.572 42.348 40.800 -0.040 0.000 1.324 513 D HN 0.395 nan 8.370 nan 0.000 0.424 514 V N 0.586 120.440 119.914 -0.101 0.000 2.969 514 V HA 0.316 4.436 4.120 0.000 0.000 0.304 514 V C -0.305 175.791 176.094 0.004 0.000 1.192 514 V CA -0.346 61.875 62.300 -0.131 0.000 0.962 514 V CB 2.046 33.721 31.823 -0.246 0.000 1.045 514 V HN 0.870 nan 8.190 nan 0.000 0.428 515 D N 2.945 123.399 120.400 0.090 0.000 2.183 515 D HA 0.009 4.649 4.640 0.000 0.000 0.203 515 D C 0.588 176.997 176.300 0.181 0.000 0.969 515 D CA 1.324 55.408 54.000 0.140 0.000 0.842 515 D CB 0.744 41.657 40.800 0.187 0.000 0.957 515 D HN 0.552 nan 8.370 nan 0.000 0.484 516 S N -0.747 115.112 115.700 0.266 0.000 2.556 516 S HA 0.378 4.848 4.470 0.000 0.000 0.280 516 S C -2.156 172.664 174.600 0.366 0.000 1.141 516 S CA -0.779 57.570 58.200 0.248 0.000 0.883 516 S CB 1.467 64.805 63.200 0.230 0.000 1.103 516 S HN 0.393 nan 8.310 nan 0.000 0.453 517 E N 1.728 122.075 120.200 0.245 0.000 2.335 517 E HA 0.518 4.868 4.350 0.000 0.000 0.280 517 E C -1.362 175.291 176.600 0.090 0.000 0.918 517 E CA -0.940 55.625 56.400 0.276 0.000 0.765 517 E CB 1.395 31.275 29.700 0.301 0.000 1.218 517 E HN 0.370 nan 8.360 nan 0.000 0.425 518 E N 1.456 121.679 120.200 0.038 0.000 2.259 518 E HA 0.243 4.593 4.350 0.000 0.000 0.281 518 E C 0.028 176.570 176.600 -0.098 0.000 1.027 518 E CA 0.160 56.467 56.400 -0.154 0.000 0.838 518 E CB 1.268 30.767 29.700 -0.336 0.000 1.066 518 E HN 0.696 nan 8.360 nan 0.000 0.401 519 T N 0.608 115.079 114.554 -0.140 0.000 2.993 519 T HA 0.332 4.682 4.350 0.000 0.000 0.260 519 T C 1.455 176.072 174.700 -0.137 0.000 0.939 519 T CA 0.300 62.338 62.100 -0.102 0.000 0.886 519 T CB 0.120 68.954 68.868 -0.057 0.000 1.209 519 T HN 0.287 nan 8.240 nan 0.000 0.518 520 A N 2.608 125.306 122.820 -0.203 0.000 1.854 520 A HA 0.148 4.468 4.320 0.000 0.000 0.214 520 A C 2.392 179.854 177.584 -0.203 0.000 1.192 520 A CA 0.722 52.643 52.037 -0.194 0.000 0.611 520 A CB -0.286 18.583 19.000 -0.218 0.000 0.832 520 A HN 0.328 nan 8.150 nan 0.000 0.442 521 R N -0.100 120.204 120.500 -0.326 0.000 2.362 521 R HA 0.157 4.497 4.340 0.000 0.000 0.227 521 R C -0.122 176.149 176.300 -0.048 0.000 0.905 521 R CA 0.786 56.752 56.100 -0.223 0.000 1.067 521 R CB 0.123 30.201 30.300 -0.370 0.000 1.078 521 R HN 0.898 nan 8.270 nan 0.000 0.516 522 E N -0.559 119.594 120.200 -0.078 0.000 2.439 522 E HA 0.094 4.445 4.350 0.000 0.000 0.279 522 E C -1.696 174.874 176.600 -0.051 0.000 1.077 522 E CA -0.817 55.585 56.400 0.003 0.000 0.849 522 E CB 0.696 30.476 29.700 0.134 0.000 1.408 522 E HN -0.268 nan 8.360 nan 0.000 0.457 523 D N 0.380 120.734 120.400 -0.077 0.000 2.494 523 D HA 0.288 4.928 4.640 0.000 0.000 0.217 523 D C -0.003 176.203 176.300 -0.158 0.000 1.153 523 D CA -0.074 53.862 54.000 -0.107 0.000 0.954 523 D CB 0.483 41.210 40.800 -0.122 0.000 1.034 523 D HN 0.600 nan 8.370 nan 0.000 0.518 524 G N 3.051 111.835 108.800 -0.026 0.000 3.707 524 G HA2 0.037 3.997 3.960 0.000 0.000 0.286 524 G HA3 0.037 3.997 3.960 0.000 0.000 0.286 524 G C 0.613 175.649 174.900 0.228 0.000 1.112 524 G CA -0.515 44.657 45.100 0.120 0.000 0.861 524 G HN 0.295 nan 8.290 nan 0.000 0.534 525 R N 0.270 120.838 120.500 0.114 0.000 2.523 525 R HA 0.092 4.432 4.340 0.000 0.000 0.281 525 R C 1.734 178.141 176.300 0.177 0.000 0.969 525 R CA 0.317 56.491 56.100 0.122 0.000 1.093 525 R CB 0.703 31.024 30.300 0.035 0.000 0.917 525 R HN 0.226 nan 8.270 nan 0.000 0.408 526 A N 2.662 125.533 122.820 0.086 0.000 1.948 526 A HA -0.229 4.091 4.320 0.000 0.000 0.220 526 A C 2.022 179.563 177.584 -0.072 0.000 1.177 526 A CA 2.070 53.997 52.037 -0.184 0.000 0.636 526 A CB -0.499 18.235 19.000 -0.443 0.000 0.815 526 A HN 0.849 nan 8.150 nan 0.000 0.449 527 S N 0.672 116.355 115.700 -0.029 0.000 2.469 527 S HA -0.161 4.309 4.470 0.000 0.000 0.238 527 S C 1.366 175.974 174.600 0.013 0.000 0.998 527 S CA 1.143 59.334 58.200 -0.014 0.000 0.957 527 S CB -0.621 62.573 63.200 -0.010 0.000 0.764 527 S HN 0.621 nan 8.310 nan 0.000 0.514 528 N N 2.017 120.743 118.700 0.042 0.000 2.453 528 N HA -0.043 4.697 4.740 0.000 0.000 0.183 528 N C 1.792 177.352 175.510 0.083 0.000 1.041 528 N CA 1.203 54.282 53.050 0.049 0.000 0.900 528 N CB -0.549 37.960 38.487 0.036 0.000 0.961 528 N HN 0.659 nan 8.380 nan 0.000 0.443 529 V N -0.337 119.638 119.914 0.101 0.000 2.970 529 V HA 0.019 4.139 4.120 0.000 0.000 0.260 529 V C 1.361 177.485 176.094 0.050 0.000 1.100 529 V CA 1.005 63.366 62.300 0.102 0.000 1.122 529 V CB -0.730 31.166 31.823 0.122 0.000 0.721 529 V HN 0.316 nan 8.190 nan 0.000 0.483 530 I N -0.941 119.646 120.570 0.028 0.000 3.762 530 I HA 0.437 4.607 4.170 0.000 0.000 0.333 530 I C 0.817 176.939 176.117 0.008 0.000 1.566 530 I CA 0.121 61.430 61.300 0.015 0.000 1.129 530 I CB 0.113 38.119 38.000 0.009 0.000 1.218 530 I HN 0.240 nan 8.210 nan 0.000 0.456 531 D N 0.881 121.287 120.400 0.009 0.000 2.369 531 D HA 0.128 4.768 4.640 0.000 0.000 0.211 531 D C 1.492 177.789 176.300 -0.005 0.000 1.077 531 D CA 0.397 54.396 54.000 -0.001 0.000 0.842 531 D CB 0.319 41.115 40.800 -0.007 0.000 0.947 531 D HN 0.458 nan 8.370 nan 0.000 0.509 532 G N 0.683 109.482 108.800 -0.002 0.000 2.147 532 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 532 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 532 G C -0.134 174.760 174.900 -0.011 0.000 1.005 532 G CA 0.067 45.163 45.100 -0.006 0.000 0.713 532 G HN 0.558 nan 8.290 nan 0.000 0.515 533 N N 0.029 118.727 118.700 -0.004 0.000 2.573 533 N HA 0.513 5.254 4.740 0.000 0.000 0.262 533 N C -1.353 174.175 175.510 0.030 0.000 1.029 533 N CA -2.222 50.829 53.050 0.001 0.000 0.882 533 N CB 1.946 40.424 38.487 -0.015 0.000 1.204 533 N HN -0.078 nan 8.380 nan 0.000 0.519 534 P HA -0.020 nan 4.420 nan 0.000 0.223 534 P C 0.734 178.095 177.300 0.101 0.000 1.144 534 P CA 0.924 64.048 63.100 0.040 0.000 0.783 534 P CB 0.454 32.160 31.700 0.011 0.000 0.771 535 S N -1.550 114.227 115.700 0.129 0.000 2.522 535 S HA 0.011 4.481 4.470 0.000 0.000 0.227 535 S C 1.024 175.710 174.600 0.142 0.000 0.986 535 S CA 0.817 59.120 58.200 0.172 0.000 0.929 535 S CB -0.631 62.702 63.200 0.222 0.000 0.769 535 S HN 0.356 nan 8.310 nan 0.000 0.529 536 T N 0.504 115.107 114.554 0.082 0.000 2.912 536 T HA 0.750 5.100 4.350 0.000 0.000 0.288 536 T C -0.701 174.036 174.700 0.061 0.000 1.030 536 T CA -0.929 61.138 62.100 -0.055 0.000 1.020 536 T CB 1.588 70.406 68.868 -0.082 0.000 1.056 536 T HN 0.143 nan 8.240 nan 0.000 0.480 537 F N -1.273 118.728 119.950 0.084 0.000 2.631 537 F HA 0.742 5.269 4.527 0.000 0.000 0.308 537 F C -1.251 174.673 175.800 0.207 0.000 1.097 537 F CA -2.169 55.900 58.000 0.115 0.000 0.952 537 F CB 0.708 39.746 39.000 0.064 0.000 1.307 537 F HN 0.852 nan 8.300 nan 0.000 0.450 538 W N 4.150 125.613 121.300 0.271 0.000 2.218 538 W HA 0.524 5.184 4.660 0.000 0.000 0.326 538 W C -1.381 175.366 176.519 0.380 0.000 1.276 538 W CA -0.251 57.226 57.345 0.220 0.000 1.210 538 W CB 0.370 29.911 29.460 0.136 0.000 1.143 538 W HN 0.791 nan 8.180 nan 0.000 0.563 539 H N 4.225 123.276 119.070 -0.032 0.000 2.877 539 H HA 0.243 4.799 4.556 0.000 0.000 0.347 539 H C -0.176 174.928 175.328 -0.374 0.000 1.042 539 H CA -0.090 55.817 56.048 -0.235 0.000 1.276 539 H CB 1.559 31.465 29.762 0.240 0.000 1.681 539 H HN 0.530 nan 8.280 nan 0.000 0.521 540 T N 1.002 115.308 114.554 -0.413 0.000 2.748 540 T HA 0.058 4.408 4.350 0.000 0.000 0.304 540 T C 0.530 175.290 174.700 0.099 0.000 1.041 540 T CA -0.736 61.259 62.100 -0.176 0.000 1.033 540 T CB 0.894 69.423 68.868 -0.565 0.000 0.995 540 T HN 0.645 nan 8.240 nan 0.000 0.536 541 E N 1.271 121.510 120.200 0.065 0.000 2.415 541 E HA 0.023 4.373 4.350 0.000 0.000 0.263 541 E C 0.337 176.908 176.600 -0.049 0.000 0.995 541 E CA -0.375 56.005 56.400 -0.033 0.000 0.915 541 E CB 0.177 29.872 29.700 -0.008 0.000 0.951 541 E HN 0.896 nan 8.360 nan 0.000 0.449 542 W N 3.224 124.334 121.300 -0.316 0.000 2.782 542 W HA 0.079 4.739 4.660 0.000 0.000 0.268 542 W C 1.029 177.432 176.519 -0.193 0.000 1.043 542 W CA 0.368 57.401 57.345 -0.520 0.000 1.387 542 W CB -0.438 28.337 29.460 -1.141 0.000 0.904 542 W HN 0.488 nan 8.180 nan 0.000 0.625 543 S N 1.120 116.444 115.700 -0.626 0.000 2.562 543 S HA 0.226 4.696 4.470 0.000 0.000 0.221 543 S C 0.653 175.143 174.600 -0.183 0.000 0.975 543 S CA -0.051 57.822 58.200 -0.545 0.000 0.918 543 S CB -0.216 62.414 63.200 -0.951 0.000 0.772 543 S HN 0.135 nan 8.310 nan 0.000 0.531 544 R N 0.031 120.470 120.500 -0.101 0.000 2.532 544 R HA 0.670 5.010 4.340 0.000 0.000 0.295 544 R C 1.031 177.381 176.300 0.083 0.000 0.968 544 R CA 0.097 56.194 56.100 -0.006 0.000 0.916 544 R CB 1.173 31.462 30.300 -0.018 0.000 1.124 544 R HN 0.206 nan 8.270 nan 0.000 0.463 545 A N 1.767 124.642 122.820 0.092 0.000 2.070 545 A HA -0.171 4.149 4.320 0.000 0.000 0.220 545 A C 1.177 178.830 177.584 0.116 0.000 1.159 545 A CA 1.717 53.828 52.037 0.123 0.000 0.656 545 A CB -0.283 18.773 19.000 0.094 0.000 0.800 545 A HN 0.846 nan 8.150 nan 0.000 0.453 546 D N 0.005 120.457 120.400 0.088 0.000 2.340 546 D HA 0.319 4.959 4.640 0.000 0.000 0.220 546 D C 0.713 177.073 176.300 0.098 0.000 1.039 546 D CA 0.400 54.447 54.000 0.078 0.000 0.866 546 D CB -0.762 40.069 40.800 0.052 0.000 0.913 546 D HN 0.371 nan 8.370 nan 0.000 0.523 547 A N 1.985 124.884 122.820 0.133 0.000 2.587 547 A HA 0.270 4.590 4.320 0.000 0.000 0.233 547 A C -1.873 175.827 177.584 0.193 0.000 1.049 547 A CA -0.633 51.509 52.037 0.174 0.000 0.754 547 A CB -0.335 18.816 19.000 0.252 0.000 0.977 547 A HN 0.208 nan 8.150 nan 0.000 0.509 548 P HA 0.315 nan 4.420 nan 0.000 0.274 548 P C 0.517 177.945 177.300 0.212 0.000 1.246 548 P CA 0.219 63.415 63.100 0.161 0.000 0.795 548 P CB 0.801 32.584 31.700 0.140 0.000 1.006 549 G N -0.208 108.640 108.800 0.080 0.000 2.606 549 G HA2 0.345 4.305 3.960 0.000 0.000 0.262 549 G HA3 0.345 4.305 3.960 0.000 0.000 0.262 549 G C -0.828 173.862 174.900 -0.350 0.000 1.394 549 G CA -0.672 44.449 45.100 0.036 0.000 1.044 549 G HN 0.372 nan 8.290 nan 0.000 0.553 550 Y N 1.454 121.549 120.300 -0.341 0.000 2.457 550 Y HA 0.257 4.807 4.550 0.000 0.000 0.341 550 Y C -0.961 174.778 175.900 -0.268 0.000 1.240 550 Y CA -0.864 56.970 58.100 -0.444 0.000 1.437 550 Y CB 0.382 38.740 38.460 -0.169 0.000 1.328 550 Y HN 0.261 nan 8.280 nan 0.000 0.588 551 P HA 0.141 nan 4.420 nan 0.000 0.274 551 P C -1.045 176.044 177.300 -0.351 0.000 1.237 551 P CA 0.022 63.084 63.100 -0.062 0.000 0.793 551 P CB 1.096 32.805 31.700 0.016 0.000 0.977 552 H N 0.712 119.790 119.070 0.013 0.000 2.771 552 H HA 0.605 5.161 4.556 0.000 0.000 0.367 552 H C 0.065 175.501 175.328 0.180 0.000 1.172 552 H CA -0.489 55.588 56.048 0.049 0.000 1.186 552 H CB 2.512 32.214 29.762 -0.100 0.000 1.790 552 H HN 0.476 nan 8.280 nan 0.000 0.556 553 R N 1.565 122.285 120.500 0.365 0.000 2.522 553 R HA 0.482 4.822 4.340 0.000 0.000 0.273 553 R C -2.038 174.256 176.300 -0.010 0.000 1.133 553 R CA -0.501 55.686 56.100 0.146 0.000 0.969 553 R CB 1.542 31.840 30.300 -0.003 0.000 1.235 553 R HN 0.646 nan 8.270 nan 0.000 0.433 554 I N 2.818 123.301 120.570 -0.145 0.000 2.582 554 I HA 0.487 4.657 4.170 0.000 0.000 0.292 554 I C -1.359 174.651 176.117 -0.178 0.000 1.066 554 I CA -0.480 60.598 61.300 -0.370 0.000 1.053 554 I CB 2.486 40.008 38.000 -0.796 0.000 1.241 554 I HN 0.752 nan 8.210 nan 0.000 0.421 555 S N 7.547 123.163 115.700 -0.140 0.000 2.532 555 S HA 0.634 5.104 4.470 0.000 0.000 0.299 555 S C -0.786 173.869 174.600 0.091 0.000 1.105 555 S CA -0.641 57.559 58.200 0.000 0.000 1.018 555 S CB 1.605 64.801 63.200 -0.007 0.000 1.021 555 S HN 0.421 nan 8.310 nan 0.000 0.483 556 L N 2.284 123.613 121.223 0.178 0.000 2.325 556 L HA 0.557 4.897 4.340 0.000 0.000 0.278 556 L C -0.316 176.711 176.870 0.261 0.000 1.023 556 L CA -0.891 54.047 54.840 0.164 0.000 0.811 556 L CB 1.112 43.235 42.059 0.106 0.000 1.249 556 L HN 0.519 nan 8.230 nan 0.000 0.431 557 D N 2.402 122.918 120.400 0.193 0.000 2.249 557 D HA 0.247 4.887 4.640 0.000 0.000 0.246 557 D C 0.512 176.778 176.300 -0.057 0.000 1.114 557 D CA -0.191 53.822 54.000 0.021 0.000 0.854 557 D CB 1.644 42.504 40.800 0.099 0.000 1.132 557 D HN 0.409 nan 8.370 nan 0.000 0.461 558 L N 2.847 123.986 121.223 -0.139 0.000 2.558 558 L HA 0.234 4.574 4.340 0.000 0.000 0.225 558 L C 1.779 178.647 176.870 -0.004 0.000 1.128 558 L CA 0.348 55.164 54.840 -0.039 0.000 0.868 558 L CB -0.160 41.909 42.059 0.017 0.000 1.006 558 L HN 0.745 nan 8.230 nan 0.000 0.454 559 G N -0.089 108.677 108.800 -0.057 0.000 2.176 559 G HA2 -0.138 3.822 3.960 0.000 0.000 0.253 559 G HA3 -0.138 3.822 3.960 0.000 0.000 0.253 559 G C 0.420 175.315 174.900 -0.007 0.000 0.979 559 G CA -0.137 44.954 45.100 -0.016 0.000 0.641 559 G HN 0.761 nan 8.290 nan 0.000 0.530 560 G N -2.355 106.435 108.800 -0.016 0.000 2.316 560 G HA2 0.588 4.548 3.960 0.000 0.000 0.296 560 G HA3 0.588 4.548 3.960 0.000 0.000 0.296 560 G C -0.730 174.088 174.900 -0.136 0.000 1.399 560 G CA 0.439 45.486 45.100 -0.088 0.000 0.833 560 G HN 0.855 nan 8.290 nan 0.000 0.565 561 T N 0.960 115.362 114.554 -0.253 0.000 2.856 561 T HA 0.629 4.980 4.350 0.000 0.000 0.292 561 T C -0.533 173.928 174.700 -0.398 0.000 0.980 561 T CA 0.374 62.355 62.100 -0.198 0.000 1.091 561 T CB 0.571 69.361 68.868 -0.130 0.000 0.936 561 T HN 0.514 nan 8.240 nan 0.000 0.503 562 H N -0.050 119.015 119.070 -0.007 0.000 2.895 562 H HA 0.381 4.937 4.556 0.000 0.000 0.373 562 H C -0.210 175.136 175.328 0.031 0.000 1.174 562 H CA -0.692 55.361 56.048 0.010 0.000 1.144 562 H CB 1.201 30.970 29.762 0.011 0.000 1.793 562 H HN 0.438 nan 8.280 nan 0.000 0.551 563 T N 3.761 118.404 114.554 0.147 0.000 2.769 563 T HA 0.330 4.680 4.350 0.000 0.000 0.293 563 T C 0.404 175.173 174.700 0.114 0.000 0.931 563 T CA -0.126 62.040 62.100 0.110 0.000 1.139 563 T CB -0.818 68.091 68.868 0.070 0.000 0.881 563 T HN 0.428 nan 8.240 nan 0.000 0.532 564 I N 0.087 120.734 120.570 0.128 0.000 2.957 564 I HA 0.797 4.967 4.170 0.000 0.000 0.310 564 I C 0.350 176.450 176.117 -0.029 0.000 1.063 564 I CA -1.014 60.342 61.300 0.093 0.000 1.033 564 I CB 2.555 40.674 38.000 0.198 0.000 1.230 564 I HN 0.497 nan 8.210 nan 0.000 0.447 565 S N 0.992 116.472 115.700 -0.367 0.000 3.004 565 S HA 0.645 5.115 4.470 0.000 0.000 0.244 565 S C -0.012 173.836 174.600 -1.254 0.000 0.870 565 S CA 0.026 57.728 58.200 -0.831 0.000 1.267 565 S CB -0.039 62.956 63.200 -0.343 0.000 1.208 565 S HN 1.643 nan 8.310 nan 0.000 0.624 566 G N 0.737 108.871 108.800 -1.109 0.000 2.377 566 G HA2 0.487 4.447 3.960 0.000 0.000 0.297 566 G HA3 0.487 4.447 3.960 0.000 0.000 0.297 566 G C -2.512 172.426 174.900 0.064 0.000 1.547 566 G CA -0.654 44.199 45.100 -0.412 0.000 0.833 566 G HN 0.611 nan 8.290 nan 0.000 0.583 567 L N -0.053 121.295 121.223 0.208 0.000 2.408 567 L HA 0.726 5.066 4.340 0.000 0.000 0.268 567 L C -0.457 176.507 176.870 0.156 0.000 0.986 567 L CA -0.552 54.420 54.840 0.220 0.000 0.820 567 L CB 2.153 44.392 42.059 0.299 0.000 1.303 567 L HN 0.624 nan 8.230 nan 0.000 0.411 568 Q N 4.007 123.871 119.800 0.106 0.000 2.333 568 Q HA 0.314 4.654 4.340 0.000 0.000 0.268 568 Q C -1.796 174.229 176.000 0.041 0.000 1.007 568 Q CA -0.588 55.253 55.803 0.064 0.000 0.810 568 Q CB 2.501 31.251 28.738 0.020 0.000 1.264 568 Q HN 0.624 nan 8.270 nan 0.000 0.452 569 Y N 1.357 121.527 120.300 -0.217 0.000 2.331 569 Y HA 0.420 4.970 4.550 0.000 0.000 0.338 569 Y C -0.965 174.746 175.900 -0.315 0.000 0.992 569 Y CA -0.338 57.552 58.100 -0.351 0.000 1.121 569 Y CB 1.532 39.490 38.460 -0.837 0.000 1.184 569 Y HN 0.402 nan 8.280 nan 0.000 0.469 570 T N 7.313 121.429 114.554 -0.729 0.000 2.786 570 T HA 0.389 4.739 4.350 0.000 0.000 0.283 570 T C -0.392 173.734 174.700 -0.956 0.000 0.992 570 T CA -0.932 60.728 62.100 -0.734 0.000 0.954 570 T CB 0.514 69.184 68.868 -0.331 0.000 0.934 570 T HN 0.797 nan 8.240 nan 0.000 0.440 571 R N 2.177 122.080 120.500 -0.994 0.000 2.726 571 R HA 0.393 4.733 4.340 0.000 0.000 0.272 571 R C 0.356 176.467 176.300 -0.315 0.000 1.097 571 R CA -0.934 54.798 56.100 -0.613 0.000 1.198 571 R CB 0.833 30.970 30.300 -0.272 0.000 1.114 571 R HN 0.485 nan 8.270 nan 0.000 0.550 572 R N 0.652 121.008 120.500 -0.241 0.000 2.585 572 R HA -0.098 4.242 4.340 0.000 0.000 0.275 572 R C 0.533 176.707 176.300 -0.210 0.000 1.018 572 R CA 0.210 56.146 56.100 -0.272 0.000 1.072 572 R CB 0.640 30.640 30.300 -0.501 0.000 0.953 572 R HN 0.687 nan 8.270 nan 0.000 0.419 573 Q N 1.971 121.685 119.800 -0.142 0.000 2.302 573 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 573 Q C 0.451 176.390 176.000 -0.102 0.000 0.936 573 Q CA 1.063 56.804 55.803 -0.102 0.000 0.886 573 Q CB 0.158 28.865 28.738 -0.052 0.000 0.986 573 Q HN 0.711 nan 8.270 nan 0.000 0.487 574 N N -0.563 118.068 118.700 -0.116 0.000 2.275 574 N HA 0.084 4.824 4.740 0.000 0.000 0.236 574 N C -0.645 174.786 175.510 -0.130 0.000 1.154 574 N CA -0.148 52.846 53.050 -0.093 0.000 0.866 574 N CB 0.854 39.320 38.487 -0.035 0.000 1.093 574 N HN -0.085 nan 8.380 nan 0.000 0.515 575 S N -1.568 114.028 115.700 -0.173 0.000 2.558 575 S HA 0.656 5.126 4.470 0.000 0.000 0.277 575 S C -1.284 173.212 174.600 -0.174 0.000 1.143 575 S CA -0.147 57.946 58.200 -0.179 0.000 0.865 575 S CB 0.798 63.867 63.200 -0.219 0.000 1.102 575 S HN 0.286 nan 8.310 nan 0.000 0.454 576 A N 2.761 125.493 122.820 -0.148 0.000 2.508 576 A HA 0.416 4.736 4.320 0.000 0.000 0.250 576 A C 0.590 178.105 177.584 -0.115 0.000 1.208 576 A CA -0.132 51.838 52.037 -0.113 0.000 0.960 576 A CB -0.091 18.858 19.000 -0.085 0.000 1.099 576 A HN 0.619 nan 8.150 nan 0.000 0.542 577 N N 0.430 119.027 118.700 -0.171 0.000 2.238 577 N HA 0.177 4.917 4.740 0.000 0.000 0.222 577 N C -0.389 175.048 175.510 -0.121 0.000 1.133 577 N CA 0.358 53.264 53.050 -0.240 0.000 0.854 577 N CB 0.682 38.850 38.487 -0.530 0.000 1.041 577 N HN 0.423 nan 8.380 nan 0.000 0.510 578 E N -0.396 119.749 120.200 -0.092 0.000 2.995 578 E HA 0.187 4.537 4.350 0.000 0.000 0.203 578 E C -0.604 175.994 176.600 -0.004 0.000 0.980 578 E CA -0.147 56.216 56.400 -0.061 0.000 1.172 578 E CB 0.516 30.044 29.700 -0.287 0.000 1.088 578 E HN 0.179 nan 8.360 nan 0.000 0.463 579 Q N 0.950 120.781 119.800 0.051 0.000 2.294 579 Q HA 0.280 4.620 4.340 0.000 0.000 0.257 579 Q C -0.199 175.916 176.000 0.191 0.000 0.955 579 Q CA -0.563 55.313 55.803 0.122 0.000 0.936 579 Q CB 1.808 30.606 28.738 0.099 0.000 1.188 579 Q HN 0.054 nan 8.270 nan 0.000 0.420 580 V N 2.655 122.728 119.914 0.265 0.000 2.617 580 V HA -0.025 4.095 4.120 0.000 0.000 0.304 580 V C 0.666 176.888 176.094 0.214 0.000 1.040 580 V CA 0.806 63.245 62.300 0.232 0.000 1.149 580 V CB 0.435 32.340 31.823 0.137 0.000 0.914 580 V HN 1.006 nan 8.190 nan 0.000 0.487 581 A N 4.325 127.230 122.820 0.141 0.000 2.579 581 A HA 0.316 4.636 4.320 0.000 0.000 0.220 581 A C 0.524 178.151 177.584 0.071 0.000 2.352 581 A CA -0.094 52.003 52.037 0.100 0.000 1.183 581 A CB -0.262 18.738 19.000 0.001 0.000 1.311 581 A HN 0.674 nan 8.150 nan 0.000 0.534 582 D N 0.027 120.415 120.400 -0.020 0.000 2.382 582 D HA 0.489 5.129 4.640 0.000 0.000 0.245 582 D C -0.729 175.561 176.300 -0.016 0.000 1.120 582 D CA 0.815 54.752 54.000 -0.105 0.000 0.890 582 D CB 0.555 41.282 40.800 -0.122 0.000 1.201 582 D HN 0.412 nan 8.370 nan 0.000 0.433 583 Y N -1.620 118.568 120.300 -0.186 0.000 2.625 583 Y HA 0.688 5.238 4.550 0.000 0.000 0.338 583 Y C -0.865 174.970 175.900 -0.107 0.000 1.123 583 Y CA -1.153 56.875 58.100 -0.120 0.000 1.046 583 Y CB 1.282 39.612 38.460 -0.217 0.000 1.299 583 Y HN 0.184 nan 8.280 nan 0.000 0.464 584 E N 1.477 121.770 120.200 0.155 0.000 2.367 584 E HA 0.680 5.030 4.350 0.000 0.000 0.273 584 E C -1.675 175.036 176.600 0.185 0.000 0.903 584 E CA -0.910 55.522 56.400 0.052 0.000 0.764 584 E CB 3.241 32.940 29.700 -0.001 0.000 1.252 584 E HN 0.636 nan 8.360 nan 0.000 0.446 585 I N 2.091 122.672 120.570 0.018 0.000 2.465 585 I HA 0.404 4.574 4.170 0.000 0.000 0.291 585 I C -1.207 174.786 176.117 -0.207 0.000 1.014 585 I CA -0.598 60.722 61.300 0.032 0.000 1.093 585 I CB 1.030 39.063 38.000 0.054 0.000 1.267 585 I HN 0.446 nan 8.210 nan 0.000 0.431 586 Y N 2.678 122.977 120.300 -0.003 0.000 2.570 586 Y HA 0.668 5.219 4.550 0.000 0.000 0.345 586 Y C 0.431 176.458 175.900 0.211 0.000 1.014 586 Y CA -0.661 57.486 58.100 0.077 0.000 1.063 586 Y CB 2.471 41.015 38.460 0.139 0.000 1.272 586 Y HN 0.551 nan 8.280 nan 0.000 0.477 587 T N -1.816 112.980 114.554 0.404 0.000 2.887 587 T HA 0.803 5.153 4.350 0.000 0.000 0.292 587 T C -0.840 173.998 174.700 0.230 0.000 1.087 587 T CA -0.882 61.427 62.100 0.349 0.000 1.009 587 T CB 1.851 70.800 68.868 0.135 0.000 1.203 587 T HN 0.599 nan 8.240 nan 0.000 0.518 588 S N -0.500 115.195 115.700 -0.009 0.000 2.537 588 S HA 0.527 4.997 4.470 0.000 0.000 0.271 588 S C -0.010 174.549 174.600 -0.070 0.000 1.148 588 S CA -0.866 57.150 58.200 -0.307 0.000 0.868 588 S CB 1.354 63.816 63.200 -1.230 0.000 1.115 588 S HN 0.750 nan 8.310 nan 0.000 0.461 589 L N 2.623 123.794 121.223 -0.086 0.000 2.253 589 L HA 0.179 4.519 4.340 0.000 0.000 0.205 589 L C 1.852 178.754 176.870 0.054 0.000 1.078 589 L CA 0.668 55.510 54.840 0.002 0.000 0.805 589 L CB -0.232 41.816 42.059 -0.018 0.000 0.963 589 L HN 0.829 nan 8.230 nan 0.000 0.459 590 N N -0.700 117.950 118.700 -0.083 0.000 2.282 590 N HA 0.065 4.805 4.740 0.000 0.000 0.185 590 N C 1.308 176.654 175.510 -0.273 0.000 1.099 590 N CA 0.872 53.871 53.050 -0.085 0.000 0.878 590 N CB 0.634 39.056 38.487 -0.108 0.000 0.993 590 N HN 0.169 nan 8.380 nan 0.000 0.481 591 G N -0.610 107.768 108.800 -0.703 0.000 2.195 591 G HA2 -0.337 3.623 3.960 0.000 0.000 0.246 591 G HA3 -0.337 3.623 3.960 0.000 0.000 0.246 591 G C 0.908 175.424 174.900 -0.640 0.000 0.984 591 G CA 1.129 45.527 45.100 -1.170 0.000 0.633 591 G HN 0.703 nan 8.290 nan 0.000 0.525 592 T N -2.785 111.465 114.554 -0.508 0.000 2.964 592 T HA 0.383 4.734 4.350 0.000 0.000 0.250 592 T C 0.858 175.425 174.700 -0.222 0.000 0.982 592 T CA 1.394 63.365 62.100 -0.215 0.000 0.959 592 T CB 0.443 69.245 68.868 -0.110 0.000 1.141 592 T HN 1.120 nan 8.240 nan 0.000 0.494 593 T N 0.649 114.978 114.554 -0.374 0.000 2.772 593 T HA 0.616 4.966 4.350 0.000 0.000 0.288 593 T C -1.365 173.117 174.700 -0.364 0.000 0.994 593 T CA -0.696 61.277 62.100 -0.212 0.000 0.951 593 T CB 0.749 69.558 68.868 -0.098 0.000 0.933 593 T HN 0.382 nan 8.240 nan 0.000 0.447 594 W N 1.941 123.242 121.300 0.002 0.000 2.429 594 W HA 0.440 5.100 4.660 -0.000 0.000 0.314 594 W C -0.291 176.302 176.519 0.123 0.000 1.062 594 W CA -0.682 56.693 57.345 0.050 0.000 1.211 594 W CB 1.143 30.584 29.460 -0.032 0.000 1.305 594 W HN 0.554 nan 8.180 nan 0.000 0.476 595 D N 1.999 122.586 120.400 0.311 0.000 2.210 595 D HA 0.615 5.255 4.640 0.000 0.000 0.249 595 D C 0.603 177.050 176.300 0.244 0.000 1.078 595 D CA 0.403 54.534 54.000 0.218 0.000 0.875 595 D CB 1.831 42.693 40.800 0.102 0.000 1.175 595 D HN 0.613 nan 8.370 nan 0.000 0.440 596 G N 2.001 110.869 108.800 0.113 0.000 2.315 596 G HA2 -0.025 3.935 3.960 0.000 0.000 0.296 596 G HA3 -0.025 3.935 3.960 0.000 0.000 0.296 596 G C -2.845 171.923 174.900 -0.220 0.000 1.289 596 G CA -1.049 43.950 45.100 -0.168 0.000 0.996 596 G HN 0.391 nan 8.290 nan 0.000 0.487 597 P HA 0.331 nan 4.420 nan 0.000 0.267 597 P C 1.260 178.317 177.300 -0.405 0.000 1.209 597 P CA 0.475 63.099 63.100 -0.793 0.000 0.763 597 P CB 1.161 32.515 31.700 -0.576 0.000 0.816 598 V N 0.251 119.918 119.914 -0.412 0.000 3.306 598 V HA 0.419 4.540 4.120 0.000 0.000 0.264 598 V C 0.614 176.590 176.094 -0.197 0.000 1.149 598 V CA 0.980 63.095 62.300 -0.310 0.000 1.143 598 V CB -0.951 30.573 31.823 -0.498 0.000 0.767 598 V HN 0.667 nan 8.190 nan 0.000 0.476 599 A N -0.012 122.700 122.820 -0.181 0.000 2.589 599 A HA 0.825 5.145 4.320 0.000 0.000 0.296 599 A C -0.443 177.086 177.584 -0.090 0.000 1.062 599 A CA 0.177 52.203 52.037 -0.020 0.000 0.686 599 A CB 1.503 20.622 19.000 0.200 0.000 1.282 599 A HN 1.097 nan 8.150 nan 0.000 0.404 600 S N -0.162 115.430 115.700 -0.181 0.000 2.607 600 S HA 1.001 5.471 4.470 0.000 0.000 0.273 600 S C -0.052 174.121 174.600 -0.712 0.000 1.148 600 S CA -0.115 57.776 58.200 -0.515 0.000 0.833 600 S CB 1.424 64.392 63.200 -0.388 0.000 1.130 600 S HN 2.636 nan 8.310 nan 0.000 0.470 601 G N 0.327 108.341 108.800 -1.309 0.000 2.356 601 G HA2 0.534 4.494 3.960 0.000 0.000 0.281 601 G HA3 0.534 4.494 3.960 0.000 0.000 0.281 601 G C -2.027 172.395 174.900 -0.797 0.000 1.246 601 G CA -0.894 43.731 45.100 -0.792 0.000 0.889 601 G HN 0.796 nan 8.290 nan 0.000 0.486 602 R N -0.049 120.258 120.500 -0.322 0.000 2.502 602 R HA 0.593 4.933 4.340 0.000 0.000 0.300 602 R C -0.982 175.338 176.300 0.033 0.000 0.984 602 R CA -0.624 55.393 56.100 -0.138 0.000 0.882 602 R CB 0.798 31.047 30.300 -0.084 0.000 1.180 602 R HN 0.263 nan 8.270 nan 0.000 0.444 603 F N 1.336 121.420 119.950 0.223 0.000 2.440 603 F HA 0.146 4.673 4.527 0.000 0.000 0.323 603 F C 1.633 177.494 175.800 0.102 0.000 1.192 603 F CA 0.201 58.273 58.000 0.121 0.000 1.252 603 F CB 0.718 39.693 39.000 -0.042 0.000 1.214 603 F HN 0.499 nan 8.300 nan 0.000 0.578 604 T N -3.280 111.478 114.554 0.341 0.000 2.888 604 T HA 0.310 4.660 4.350 0.000 0.000 0.283 604 T C 0.918 175.732 174.700 0.190 0.000 1.013 604 T CA 0.050 62.269 62.100 0.198 0.000 0.938 604 T CB 0.944 69.900 68.868 0.145 0.000 1.298 604 T HN 0.637 nan 8.240 nan 0.000 0.580 605 T N -2.112 112.511 114.554 0.115 0.000 3.107 605 T HA 0.213 4.563 4.350 0.000 0.000 0.249 605 T C 1.056 175.783 174.700 0.046 0.000 1.096 605 T CA 0.023 62.172 62.100 0.082 0.000 1.012 605 T CB -0.477 68.418 68.868 0.046 0.000 0.977 605 T HN 0.662 nan 8.240 nan 0.000 0.527 606 S N 0.804 116.535 115.700 0.051 0.000 2.599 606 S HA 0.054 4.524 4.470 0.000 0.000 0.303 606 S C 1.111 175.691 174.600 -0.033 0.000 1.267 606 S CA -0.356 57.852 58.200 0.013 0.000 1.055 606 S CB -0.087 63.131 63.200 0.030 0.000 0.790 606 S HN 0.500 nan 8.310 nan 0.000 0.500 607 L N 3.640 124.829 121.223 -0.057 0.000 2.492 607 L HA 0.195 4.535 4.340 0.000 0.000 0.223 607 L C 1.369 178.170 176.870 -0.115 0.000 1.132 607 L CA 0.346 55.129 54.840 -0.094 0.000 0.850 607 L CB -0.608 41.403 42.059 -0.080 0.000 0.966 607 L HN 0.706 nan 8.230 nan 0.000 0.454 608 A N -0.085 122.680 122.820 -0.092 0.000 2.286 608 A HA 0.502 4.822 4.320 0.000 0.000 0.286 608 A C -2.239 175.272 177.584 -0.121 0.000 1.097 608 A CA -1.358 50.621 52.037 -0.098 0.000 0.821 608 A CB -0.201 18.758 19.000 -0.068 0.000 1.076 608 A HN -0.094 nan 8.150 nan 0.000 0.490 609 P HA 0.074 nan 4.420 nan 0.000 0.264 609 P C -0.830 176.434 177.300 -0.061 0.000 1.183 609 P CA 0.590 63.613 63.100 -0.127 0.000 0.763 609 P CB 0.281 31.917 31.700 -0.108 0.000 0.807 610 Q N 2.539 122.315 119.800 -0.040 0.000 2.316 610 Q HA 0.408 4.748 4.340 0.000 0.000 0.264 610 Q C -0.203 175.879 176.000 0.136 0.000 0.987 610 Q CA -0.699 55.154 55.803 0.083 0.000 0.852 610 Q CB 2.188 31.020 28.738 0.157 0.000 1.287 610 Q HN 0.326 nan 8.270 nan 0.000 0.448 611 R N 0.864 121.462 120.500 0.163 0.000 2.349 611 R HA 0.642 4.983 4.340 0.000 0.000 0.299 611 R C -0.791 175.650 176.300 0.235 0.000 1.027 611 R CA -0.396 55.800 56.100 0.160 0.000 0.958 611 R CB 1.226 31.589 30.300 0.105 0.000 1.047 611 R HN 0.542 nan 8.270 nan 0.000 0.468 612 A N 3.024 125.989 122.820 0.242 0.000 2.363 612 A HA 0.419 4.739 4.320 0.000 0.000 0.296 612 A C -0.265 177.485 177.584 0.277 0.000 1.237 612 A CA -0.723 51.486 52.037 0.287 0.000 0.773 612 A CB 0.773 19.953 19.000 0.301 0.000 1.153 612 A HN 0.542 nan 8.150 nan 0.000 0.473 613 V N 0.604 120.639 119.914 0.201 0.000 2.713 613 V HA 1.013 5.133 4.120 0.000 0.000 0.307 613 V C -0.615 175.594 176.094 0.192 0.000 1.052 613 V CA -0.954 61.380 62.300 0.056 0.000 0.967 613 V CB 0.944 32.764 31.823 -0.005 0.000 1.019 613 V HN 1.111 nan 8.190 nan 0.000 0.459 614 F N 0.272 120.263 119.950 0.069 0.000 2.654 614 F HA 0.911 5.438 4.527 -0.000 0.000 0.308 614 F C -3.090 172.739 175.800 0.049 0.000 1.108 614 F CA -2.856 55.177 58.000 0.055 0.000 0.957 614 F CB 0.731 39.765 39.000 0.056 0.000 1.309 614 F HN 0.333 nan 8.300 nan 0.000 0.446 615 P HA 0.166 nan 4.420 nan 0.000 0.264 615 P C -0.411 176.990 177.300 0.169 0.000 1.183 615 P CA 0.226 63.404 63.100 0.130 0.000 0.763 615 P CB 0.503 32.277 31.700 0.123 0.000 0.807 616 A N 4.465 127.324 122.820 0.065 0.000 2.540 616 A HA 0.284 4.604 4.320 0.000 0.000 0.239 616 A C 0.639 178.304 177.584 0.135 0.000 1.061 616 A CA 0.428 52.502 52.037 0.061 0.000 0.758 616 A CB -0.262 18.751 19.000 0.022 0.000 0.991 616 A HN 0.674 nan 8.150 nan 0.000 0.502 617 R N 1.330 121.940 120.500 0.183 0.000 2.764 617 R HA 0.532 4.872 4.340 0.000 0.000 0.270 617 R C -1.978 174.412 176.300 0.149 0.000 1.014 617 R CA -0.994 55.203 56.100 0.163 0.000 0.904 617 R CB 0.953 31.369 30.300 0.193 0.000 1.236 617 R HN 0.417 nan 8.270 nan 0.000 0.466 618 D N 0.572 121.034 120.400 0.103 0.000 2.312 618 D HA 0.582 5.222 4.640 0.000 0.000 0.252 618 D C -0.669 175.683 176.300 0.087 0.000 1.150 618 D CA 0.298 54.348 54.000 0.083 0.000 0.870 618 D CB 1.701 42.527 40.800 0.042 0.000 1.153 618 D HN 0.712 nan 8.370 nan 0.000 0.457 619 A N 2.326 125.204 122.820 0.097 0.000 2.587 619 A HA 0.570 4.890 4.320 0.000 0.000 0.293 619 A C 0.438 178.049 177.584 0.046 0.000 1.087 619 A CA -0.764 51.325 52.037 0.087 0.000 0.692 619 A CB 1.627 20.713 19.000 0.144 0.000 1.291 619 A HN 0.488 nan 8.150 nan 0.000 0.407 620 R N -0.740 119.747 120.500 -0.022 0.000 2.344 620 R HA 0.338 4.678 4.340 0.000 0.000 0.209 620 R C -1.124 174.913 176.300 -0.440 0.000 0.886 620 R CA 0.531 56.492 56.100 -0.233 0.000 1.040 620 R CB 0.259 30.351 30.300 -0.348 0.000 1.114 620 R HN 0.674 nan 8.270 nan 0.000 0.547 621 Y N -0.228 120.103 120.300 0.051 0.000 2.524 621 Y HA 0.491 5.041 4.550 0.000 0.000 0.347 621 Y C -0.767 175.285 175.900 0.253 0.000 1.005 621 Y CA -1.129 57.049 58.100 0.129 0.000 1.025 621 Y CB 2.122 40.618 38.460 0.060 0.000 1.275 621 Y HN -0.111 nan 8.280 nan 0.000 0.460 622 I N 2.697 123.550 120.570 0.471 0.000 2.619 622 I HA 0.591 4.761 4.170 0.000 0.000 0.292 622 I C -1.345 174.996 176.117 0.373 0.000 1.100 622 I CA -0.864 60.686 61.300 0.418 0.000 1.043 622 I CB 1.726 39.901 38.000 0.291 0.000 1.239 622 I HN 0.753 nan 8.210 nan 0.000 0.420 623 R N 6.911 127.592 120.500 0.302 0.000 2.513 623 R HA 0.536 4.876 4.340 0.000 0.000 0.301 623 R C -2.084 174.292 176.300 0.127 0.000 0.968 623 R CA -0.746 55.394 56.100 0.067 0.000 0.872 623 R CB 1.745 31.825 30.300 -0.367 0.000 1.177 623 R HN 0.606 nan 8.270 nan 0.000 0.444 624 L N 5.521 126.809 121.223 0.109 0.000 2.264 624 L HA 0.383 4.723 4.340 0.000 0.000 0.289 624 L C -1.298 175.678 176.870 0.177 0.000 1.044 624 L CA -0.311 54.639 54.840 0.183 0.000 0.807 624 L CB 1.752 43.937 42.059 0.210 0.000 1.192 624 L HN 0.412 nan 8.230 nan 0.000 0.425 625 V N 5.899 125.950 119.914 0.229 0.000 2.328 625 V HA 0.584 4.704 4.120 0.000 0.000 0.278 625 V C 0.521 176.777 176.094 0.270 0.000 1.021 625 V CA -0.523 61.901 62.300 0.207 0.000 0.838 625 V CB 0.955 32.891 31.823 0.189 0.000 0.999 625 V HN 0.940 nan 8.190 nan 0.000 0.447 626 A N 5.621 128.633 122.820 0.320 0.000 2.376 626 A HA 0.579 4.899 4.320 0.000 0.000 0.298 626 A C 0.826 178.654 177.584 0.406 0.000 1.271 626 A CA -0.241 52.029 52.037 0.390 0.000 0.926 626 A CB 0.140 19.422 19.000 0.470 0.000 1.141 626 A HN 0.899 nan 8.150 nan 0.000 0.539 627 L N 2.208 123.598 121.223 0.278 0.000 2.249 627 L HA 0.088 4.428 4.340 0.000 0.000 0.207 627 L C 1.175 178.102 176.870 0.095 0.000 1.090 627 L CA 1.077 56.026 54.840 0.182 0.000 0.802 627 L CB -0.140 41.950 42.059 0.052 0.000 0.947 627 L HN 0.818 nan 8.230 nan 0.000 0.453 628 S N -2.310 113.342 115.700 -0.080 0.000 2.596 628 S HA 0.435 4.905 4.470 0.000 0.000 0.270 628 S C -0.988 173.186 174.600 -0.709 0.000 1.155 628 S CA -0.948 56.907 58.200 -0.577 0.000 0.827 628 S CB 2.684 65.704 63.200 -0.300 0.000 1.130 628 S HN -0.012 nan 8.310 nan 0.000 0.467 629 E N -0.031 119.638 120.200 -0.885 0.000 2.227 629 E HA 0.294 4.644 4.350 0.000 0.000 0.268 629 E C 0.453 176.966 176.600 -0.146 0.000 0.990 629 E CA -0.625 55.563 56.400 -0.354 0.000 0.856 629 E CB 1.402 30.968 29.700 -0.223 0.000 1.159 629 E HN 0.695 nan 8.360 nan 0.000 0.401 630 Q N 0.308 120.101 119.800 -0.012 0.000 2.181 630 Q HA -0.115 4.225 4.340 0.000 0.000 0.205 630 Q C 1.174 177.172 176.000 -0.004 0.000 0.980 630 Q CA 1.990 57.800 55.803 0.010 0.000 0.862 630 Q CB -0.047 28.721 28.738 0.050 0.000 0.905 630 Q HN 0.584 nan 8.270 nan 0.000 0.429 631 T N -4.839 109.731 114.554 0.026 0.000 3.339 631 T HA 0.495 4.845 4.350 0.000 0.000 0.292 631 T C 0.831 175.442 174.700 -0.149 0.000 1.012 631 T CA 0.243 62.341 62.100 -0.003 0.000 0.937 631 T CB 0.762 69.692 68.868 0.103 0.000 1.164 631 T HN 0.335 nan 8.240 nan 0.000 0.509 632 G N 1.330 110.023 108.800 -0.179 0.000 2.143 632 G HA2 -0.245 3.715 3.960 0.000 0.000 0.249 632 G HA3 -0.245 3.715 3.960 0.000 0.000 0.249 632 G C -0.057 174.645 174.900 -0.329 0.000 0.981 632 G CA 0.069 45.008 45.100 -0.267 0.000 0.665 632 G HN 0.778 nan 8.290 nan 0.000 0.528 633 H N -0.641 118.368 119.070 -0.102 0.000 2.660 633 H HA 0.452 5.008 4.556 0.000 0.000 0.374 633 H C 1.537 176.863 175.328 -0.002 0.000 1.291 633 H CA 0.890 56.897 56.048 -0.069 0.000 1.437 633 H CB 0.702 30.436 29.762 -0.048 0.000 1.509 633 H HN 0.152 nan 8.280 nan 0.000 0.614 634 K N 0.340 120.722 120.400 -0.031 0.000 2.167 634 K HA -0.027 4.293 4.320 0.000 0.000 0.203 634 K C -0.486 176.087 176.600 -0.046 0.000 1.052 634 K CA 0.761 56.944 56.287 -0.173 0.000 0.956 634 K CB 0.323 32.452 32.500 -0.619 0.000 0.735 634 K HN 0.407 nan 8.250 nan 0.000 0.451 635 Y N -0.047 120.424 120.300 0.285 0.000 2.457 635 Y HA 0.543 5.093 4.550 0.000 0.000 0.333 635 Y C 0.003 175.812 175.900 -0.151 0.000 1.119 635 Y CA -1.639 56.437 58.100 -0.041 0.000 1.143 635 Y CB 1.410 39.839 38.460 -0.051 0.000 1.230 635 Y HN -0.089 nan 8.280 nan 0.000 0.469 636 A N 1.174 123.717 122.820 -0.462 0.000 2.324 636 A HA 0.939 5.259 4.320 0.000 0.000 0.330 636 A C -0.906 176.200 177.584 -0.796 0.000 1.165 636 A CA -0.354 51.386 52.037 -0.494 0.000 0.813 636 A CB 0.602 19.218 19.000 -0.639 0.000 1.197 636 A HN 0.971 nan 8.150 nan 0.000 0.484 637 A N 1.194 123.692 122.820 -0.537 0.000 2.455 637 A HA 0.691 5.011 4.320 0.000 0.000 0.300 637 A C -1.378 176.123 177.584 -0.138 0.000 1.040 637 A CA -0.420 51.321 52.037 -0.494 0.000 0.697 637 A CB 1.573 20.202 19.000 -0.619 0.000 1.265 637 A HN 1.366 nan 8.150 nan 0.000 0.407 638 V N 1.941 121.900 119.914 0.076 0.000 2.524 638 V HA 0.528 4.648 4.120 0.000 0.000 0.297 638 V C 0.963 177.180 176.094 0.204 0.000 1.035 638 V CA 0.147 62.562 62.300 0.193 0.000 0.867 638 V CB 1.238 33.348 31.823 0.478 0.000 1.004 638 V HN 1.373 nan 8.190 nan 0.000 0.426 639 A N 3.490 126.341 122.820 0.051 0.000 1.897 639 A HA 0.178 4.498 4.320 0.000 0.000 0.215 639 A C 0.788 178.413 177.584 0.068 0.000 1.181 639 A CA 1.233 53.334 52.037 0.106 0.000 0.620 639 A CB 0.101 19.111 19.000 0.017 0.000 0.821 639 A HN 0.670 nan 8.150 nan 0.000 0.443 640 E N -1.243 118.951 120.200 -0.011 0.000 2.343 640 E HA 0.578 4.928 4.350 0.000 0.000 0.278 640 E C -1.827 174.776 176.600 0.004 0.000 0.910 640 E CA -0.312 56.087 56.400 -0.002 0.000 0.757 640 E CB 1.699 31.375 29.700 -0.039 0.000 1.218 640 E HN 0.257 nan 8.360 nan 0.000 0.435 641 L N 2.369 123.618 121.223 0.043 0.000 2.349 641 L HA 0.415 4.755 4.340 0.000 0.000 0.278 641 L C 0.004 176.898 176.870 0.041 0.000 0.996 641 L CA -0.674 54.203 54.840 0.062 0.000 0.825 641 L CB 1.492 43.609 42.059 0.096 0.000 1.243 641 L HN 0.215 nan 8.230 nan 0.000 0.412 642 E N 2.882 123.103 120.200 0.035 0.000 2.202 642 E HA 0.500 4.850 4.350 0.000 0.000 0.272 642 E C -0.990 175.641 176.600 0.051 0.000 0.951 642 E CA -0.707 55.709 56.400 0.027 0.000 0.813 642 E CB 3.284 32.989 29.700 0.007 0.000 1.151 642 E HN 0.155 nan 8.360 nan 0.000 0.398 643 V N 2.320 122.257 119.914 0.039 0.000 2.384 643 V HA 0.149 4.269 4.120 0.000 0.000 0.287 643 V C 0.099 176.201 176.094 0.014 0.000 1.020 643 V CA -0.764 61.568 62.300 0.054 0.000 0.850 643 V CB 1.244 33.104 31.823 0.062 0.000 0.987 643 V HN 0.526 nan 8.190 nan 0.000 0.436 644 E N 3.461 123.662 120.200 0.001 0.000 2.299 644 E HA 0.542 4.892 4.350 0.000 0.000 0.272 644 E C 0.482 177.055 176.600 -0.045 0.000 1.043 644 E CA 0.197 56.578 56.400 -0.033 0.000 0.895 644 E CB 1.125 30.784 29.700 -0.068 0.000 1.011 644 E HN 0.942 nan 8.360 nan 0.000 0.432 645 G N 2.090 110.873 108.800 -0.029 0.000 2.328 645 G HA2 0.147 4.107 3.960 0.000 0.000 0.295 645 G HA3 0.147 4.107 3.960 0.000 0.000 0.295 645 G C -1.672 173.231 174.900 0.005 0.000 1.413 645 G CA -0.983 44.111 45.100 -0.010 0.000 0.817 645 G HN 0.373 nan 8.290 nan 0.000 0.546 646 Q N 0.592 120.421 119.800 0.048 0.000 2.314 646 Q HA 0.533 4.873 4.340 0.000 0.000 0.257 646 Q C 0.959 177.043 176.000 0.141 0.000 0.975 646 Q CA -0.438 55.407 55.803 0.071 0.000 0.933 646 Q CB 0.418 29.200 28.738 0.073 0.000 1.195 646 Q HN 0.697 nan 8.270 nan 0.000 0.426 647 R N 0.000 120.547 120.500 0.079 0.000 2.786 647 R HA 0.000 4.340 4.340 0.000 0.000 0.208 647 R CA 0.000 56.157 56.100 0.096 0.000 0.921 647 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535