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_B 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 3.959 3.960 -0.001 0.000 0.244 47 G C 0.000 174.963 174.900 0.105 0.000 0.946 47 G CA 0.000 45.157 45.100 0.096 0.000 0.502 48 E N 0.881 121.143 120.200 0.102 0.000 2.290 48 E HA 0.342 4.691 4.350 -0.001 0.000 0.277 48 E C -2.013 174.680 176.600 0.155 0.000 1.035 48 E CA -1.400 55.067 56.400 0.112 0.000 0.873 48 E CB 0.811 30.566 29.700 0.092 0.000 1.029 48 E HN 0.076 nan 8.360 nan 0.000 0.419 49 P HA -0.012 nan 4.420 nan 0.000 0.268 49 P C -1.078 176.385 177.300 0.273 0.000 1.204 49 P CA -0.031 63.237 63.100 0.280 0.000 0.768 49 P CB 0.401 32.284 31.700 0.306 0.000 0.842 50 L N 5.061 126.469 121.223 0.308 0.000 2.349 50 L HA 0.579 4.918 4.340 -0.001 0.000 0.278 50 L C -1.742 175.199 176.870 0.117 0.000 0.996 50 L CA -0.686 54.264 54.840 0.183 0.000 0.825 50 L CB 1.002 43.125 42.059 0.106 0.000 1.243 50 L HN 0.282 nan 8.230 nan 0.000 0.412 51 Y N 4.066 124.301 120.300 -0.108 0.000 2.331 51 Y HA 0.675 5.225 4.550 -0.001 0.000 0.326 51 Y C -0.789 175.016 175.900 -0.159 0.000 1.020 51 Y CA -0.203 57.690 58.100 -0.345 0.000 1.136 51 Y CB 1.743 39.699 38.460 -0.840 0.000 1.157 51 Y HN 0.762 nan 8.280 nan 0.000 0.444 52 T N 2.313 116.522 114.554 -0.576 0.000 2.909 52 T HA 0.763 5.113 4.350 -0.001 0.000 0.299 52 T C -1.222 173.252 174.700 -0.377 0.000 1.073 52 T CA -0.936 61.001 62.100 -0.272 0.000 0.999 52 T CB 2.354 71.154 68.868 -0.114 0.000 1.098 52 T HN 0.692 nan 8.240 nan 0.000 0.477 53 E N 1.426 121.552 120.200 -0.122 0.000 2.383 53 E HA 0.625 4.975 4.350 -0.001 0.000 0.275 53 E C -1.416 175.181 176.600 -0.005 0.000 0.918 53 E CA -1.214 55.130 56.400 -0.094 0.000 0.764 53 E CB 2.078 31.786 29.700 0.013 0.000 1.252 53 E HN 0.887 nan 8.360 nan 0.000 0.449 54 Q N 1.099 120.895 119.800 -0.006 0.000 2.377 54 Q HA 0.444 4.783 4.340 -0.001 0.000 0.279 54 Q C -1.442 174.500 176.000 -0.098 0.000 1.049 54 Q CA -1.060 54.738 55.803 -0.008 0.000 0.825 54 Q CB 1.876 30.651 28.738 0.062 0.000 1.401 54 Q HN 0.382 nan 8.270 nan 0.000 0.404 55 D N 1.756 122.081 120.400 -0.125 0.000 2.302 55 D HA 0.231 4.870 4.640 -0.001 0.000 0.248 55 D C 0.376 176.515 176.300 -0.270 0.000 1.094 55 D CA -0.070 53.803 54.000 -0.211 0.000 0.897 55 D CB 1.524 42.221 40.800 -0.172 0.000 1.200 55 D HN 0.588 nan 8.370 nan 0.000 0.429 56 L N 0.334 121.318 121.223 -0.400 0.000 2.642 56 L HA 0.322 4.662 4.340 -0.001 0.000 0.233 56 L C 0.573 177.143 176.870 -0.501 0.000 1.077 56 L CA 0.140 54.698 54.840 -0.470 0.000 0.879 56 L CB 0.424 42.100 42.059 -0.638 0.000 1.151 56 L HN 0.296 nan 8.230 nan 0.000 0.495 57 A N 0.228 122.678 122.820 -0.617 0.000 2.488 57 A HA 0.691 5.011 4.320 -0.001 0.000 0.298 57 A C -1.274 176.005 177.584 -0.509 0.000 1.044 57 A CA -0.313 51.239 52.037 -0.808 0.000 0.693 57 A CB 1.940 20.052 19.000 -1.480 0.000 1.272 57 A HN -0.168 nan 8.150 nan 0.000 0.402 58 V N 3.080 122.814 119.914 -0.299 0.000 2.483 58 V HA 0.269 4.388 4.120 -0.001 0.000 0.297 58 V C -0.457 175.728 176.094 0.152 0.000 1.027 58 V CA -1.142 61.116 62.300 -0.070 0.000 0.855 58 V CB 1.755 33.548 31.823 -0.050 0.000 0.995 58 V HN 0.901 nan 8.190 nan 0.000 0.424 59 N N 3.587 122.409 118.700 0.204 0.000 2.223 59 N HA 0.126 4.865 4.740 -0.001 0.000 0.271 59 N C 1.289 176.887 175.510 0.147 0.000 1.315 59 N CA 1.658 54.835 53.050 0.212 0.000 0.835 59 N CB 0.566 39.106 38.487 0.089 0.000 1.066 59 N HN 1.204 nan 8.380 nan 0.000 0.486 60 G N 1.814 110.700 108.800 0.143 0.000 2.234 60 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.235 60 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.235 60 G C 0.044 175.013 174.900 0.114 0.000 0.997 60 G CA -0.164 44.988 45.100 0.088 0.000 0.623 60 G HN 0.604 nan 8.290 nan 0.000 0.514 61 R N 0.282 120.897 120.500 0.192 0.000 2.474 61 R HA 0.578 4.917 4.340 -0.001 0.000 0.295 61 R C 0.402 176.859 176.300 0.261 0.000 0.980 61 R CA -0.331 55.868 56.100 0.165 0.000 0.934 61 R CB 0.857 31.216 30.300 0.098 0.000 1.101 61 R HN 0.167 nan 8.270 nan 0.000 0.469 62 E N 0.325 120.629 120.200 0.174 0.000 3.181 62 E HA -0.216 4.133 4.350 -0.001 0.000 0.293 62 E C 0.585 177.334 176.600 0.247 0.000 0.936 62 E CA 1.271 57.792 56.400 0.201 0.000 0.975 62 E CB -1.624 28.201 29.700 0.208 0.000 1.496 62 E HN 1.203 nan 8.360 nan 0.000 0.429 63 G N -1.017 107.847 108.800 0.106 0.000 2.205 63 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.180 63 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.180 63 G C -0.120 174.400 174.900 -0.633 0.000 1.004 63 G CA -0.145 44.824 45.100 -0.218 0.000 0.670 63 G HN 0.134 nan 8.290 nan 0.000 0.496 64 F N -0.127 119.761 119.950 -0.103 0.000 2.591 64 F HA 0.551 5.078 4.527 -0.001 0.000 0.309 64 F C -1.647 173.985 175.800 -0.281 0.000 1.098 64 F CA -1.761 56.060 58.000 -0.299 0.000 0.937 64 F CB 2.292 40.889 39.000 -0.673 0.000 1.250 64 F HN -0.170 nan 8.300 nan 0.000 0.447 65 P HA -0.083 nan 4.420 nan 0.000 0.229 65 P C -0.512 176.754 177.300 -0.057 0.000 1.160 65 P CA 1.062 64.144 63.100 -0.031 0.000 0.777 65 P CB 0.665 32.349 31.700 -0.027 0.000 0.814 66 N N -0.875 117.725 118.700 -0.167 0.000 2.406 66 N HA 0.160 4.899 4.740 -0.001 0.000 0.283 66 N C -1.930 173.385 175.510 -0.326 0.000 1.074 66 N CA -0.343 52.617 53.050 -0.150 0.000 0.916 66 N CB 1.468 39.901 38.487 -0.090 0.000 1.639 66 N HN -0.254 nan 8.380 nan 0.000 0.485 67 Y N 1.519 121.783 120.300 -0.060 0.000 2.425 67 Y HA 0.601 5.150 4.550 -0.001 0.000 0.344 67 Y C 0.415 176.238 175.900 -0.128 0.000 0.969 67 Y CA -0.625 57.415 58.100 -0.101 0.000 1.052 67 Y CB 1.970 40.343 38.460 -0.146 0.000 1.215 67 Y HN 0.270 nan 8.280 nan 0.000 0.451 68 R N 2.214 122.743 120.500 0.049 0.000 2.716 68 R HA 0.580 4.919 4.340 -0.001 0.000 0.271 68 R C -1.758 174.536 176.300 -0.010 0.000 1.028 68 R CA -1.050 55.019 56.100 -0.052 0.000 0.883 68 R CB 2.326 32.540 30.300 -0.144 0.000 1.250 68 R HN 0.668 nan 8.270 nan 0.000 0.465 69 I N -0.170 120.371 120.570 -0.049 0.000 6.786 69 I HA -0.118 4.051 4.170 -0.001 0.000 0.126 69 I C -2.556 173.657 176.117 0.159 0.000 1.830 69 I CA -0.427 60.915 61.300 0.069 0.000 2.037 69 I CB -1.707 36.325 38.000 0.054 0.000 3.544 69 I HN 0.502 nan 8.210 nan 0.000 0.169 70 P HA 0.562 nan 4.420 nan 0.000 0.284 70 P C -0.490 176.916 177.300 0.177 0.000 1.253 70 P CA -0.121 63.092 63.100 0.188 0.000 0.800 70 P CB 2.296 34.096 31.700 0.168 0.000 0.961 71 A N 3.477 126.400 122.820 0.172 0.000 2.393 71 A HA 0.710 5.029 4.320 -0.001 0.000 0.306 71 A C -1.571 176.242 177.584 0.381 0.000 1.050 71 A CA -0.674 51.474 52.037 0.186 0.000 0.724 71 A CB 1.201 20.169 19.000 -0.053 0.000 1.248 71 A HN 0.536 nan 8.150 nan 0.000 0.424 72 L N 1.457 122.942 121.223 0.437 0.000 2.464 72 L HA 0.891 5.230 4.340 -0.001 0.000 0.266 72 L C -0.371 176.669 176.870 0.284 0.000 0.965 72 L CA 0.382 55.448 54.840 0.377 0.000 0.833 72 L CB 2.251 44.481 42.059 0.285 0.000 1.296 72 L HN 0.893 nan 8.230 nan 0.000 0.405 73 T N 2.656 117.257 114.554 0.079 0.000 2.762 73 T HA 0.757 5.107 4.350 -0.001 0.000 0.301 73 T C -1.795 172.861 174.700 -0.074 0.000 1.299 73 T CA -0.340 61.746 62.100 -0.023 0.000 1.005 73 T CB 1.476 70.260 68.868 -0.140 0.000 1.377 73 T HN 0.394 nan 8.240 nan 0.000 0.504 74 V N 2.793 122.674 119.914 -0.055 0.000 2.495 74 V HA 0.579 4.698 4.120 -0.001 0.000 0.298 74 V C 0.766 176.811 176.094 -0.082 0.000 1.031 74 V CA -0.774 61.484 62.300 -0.069 0.000 0.871 74 V CB 1.613 33.411 31.823 -0.041 0.000 0.988 74 V HN 1.125 nan 8.190 nan 0.000 0.432 75 T N 2.276 116.768 114.554 -0.103 0.000 2.828 75 T HA 0.283 4.633 4.350 -0.001 0.000 0.290 75 T C -1.652 173.005 174.700 -0.071 0.000 1.019 75 T CA -1.488 60.553 62.100 -0.098 0.000 1.031 75 T CB 1.208 70.007 68.868 -0.115 0.000 1.001 75 T HN 0.437 nan 8.240 nan 0.000 0.531 76 P HA -0.093 nan 4.420 nan 0.000 0.217 76 P C 0.874 178.140 177.300 -0.056 0.000 1.148 76 P CA 1.036 64.107 63.100 -0.049 0.000 0.834 76 P CB 0.018 31.688 31.700 -0.051 0.000 0.783 77 D N -2.296 118.061 120.400 -0.072 0.000 2.349 77 D HA 0.083 4.723 4.640 -0.001 0.000 0.224 77 D C 1.537 177.791 176.300 -0.078 0.000 1.029 77 D CA 1.118 55.075 54.000 -0.073 0.000 0.879 77 D CB -0.189 40.563 40.800 -0.079 0.000 0.906 77 D HN 0.180 nan 8.370 nan 0.000 0.528 78 G N 1.296 110.047 108.800 -0.082 0.000 2.157 78 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.239 78 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.239 78 G C -0.235 174.593 174.900 -0.121 0.000 0.982 78 G CA -0.320 44.726 45.100 -0.090 0.000 0.650 78 G HN 0.176 nan 8.290 nan 0.000 0.527 79 D N 0.304 120.626 120.400 -0.130 0.000 2.372 79 D HA 0.475 5.115 4.640 -0.001 0.000 0.243 79 D C 0.679 176.874 176.300 -0.174 0.000 1.121 79 D CA -0.073 53.825 54.000 -0.169 0.000 0.898 79 D CB 1.140 41.851 40.800 -0.149 0.000 1.202 79 D HN 0.097 nan 8.370 nan 0.000 0.428 80 L N 1.699 122.771 121.223 -0.251 0.000 2.305 80 L HA 0.313 4.652 4.340 -0.001 0.000 0.281 80 L C 0.002 176.844 176.870 -0.047 0.000 1.085 80 L CA -0.095 54.642 54.840 -0.172 0.000 0.813 80 L CB 0.541 42.447 42.059 -0.254 0.000 1.157 80 L HN 0.139 nan 8.230 nan 0.000 0.436 81 L N 3.484 124.721 121.223 0.024 0.000 2.325 81 L HA 0.778 5.117 4.340 -0.001 0.000 0.281 81 L C -0.136 176.905 176.870 0.286 0.000 1.004 81 L CA -0.624 54.278 54.840 0.103 0.000 0.823 81 L CB 1.615 43.569 42.059 -0.174 0.000 1.236 81 L HN 0.715 nan 8.230 nan 0.000 0.415 82 A N 2.498 125.559 122.820 0.403 0.000 2.318 82 A HA 0.743 5.062 4.320 -0.001 0.000 0.324 82 A C -0.482 177.284 177.584 0.304 0.000 1.170 82 A CA -0.405 51.830 52.037 0.328 0.000 0.810 82 A CB 1.742 20.751 19.000 0.015 0.000 1.198 82 A HN 0.558 nan 8.150 nan 0.000 0.484 83 S N 1.253 117.115 115.700 0.269 0.000 2.548 83 S HA 0.907 5.376 4.470 -0.001 0.000 0.286 83 S C -1.165 173.416 174.600 -0.032 0.000 1.098 83 S CA -0.439 57.692 58.200 -0.114 0.000 0.930 83 S CB 0.819 63.818 63.200 -0.335 0.000 1.070 83 S HN 1.224 nan 8.310 nan 0.000 0.480 84 Y N -0.222 120.021 120.300 -0.094 0.000 2.713 84 Y HA 0.603 5.152 4.550 -0.001 0.000 0.335 84 Y C -1.289 174.540 175.900 -0.119 0.000 1.222 84 Y CA -1.408 56.642 58.100 -0.083 0.000 1.061 84 Y CB 0.015 38.437 38.460 -0.064 0.000 1.314 84 Y HN 0.346 nan 8.280 nan 0.000 0.453 85 D N 0.608 121.035 120.400 0.045 0.000 2.302 85 D HA 0.456 5.095 4.640 -0.001 0.000 0.248 85 D C -0.036 176.176 176.300 -0.147 0.000 1.094 85 D CA 0.240 54.175 54.000 -0.109 0.000 0.897 85 D CB 1.576 42.316 40.800 -0.100 0.000 1.200 85 D HN 0.956 nan 8.370 nan 0.000 0.429 86 G N 1.635 110.107 108.800 -0.546 0.000 2.320 86 G HA2 0.408 4.367 3.960 -0.001 0.000 0.300 86 G HA3 0.408 4.367 3.960 -0.001 0.000 0.300 86 G C -0.250 174.180 174.900 -0.782 0.000 1.126 86 G CA -0.705 43.569 45.100 -1.377 0.000 0.896 86 G HN 0.273 nan 8.290 nan 0.000 0.436 87 R N 3.701 123.945 120.500 -0.426 0.000 2.287 87 R HA 0.214 4.554 4.340 -0.001 0.000 0.316 87 R C -1.977 174.362 176.300 0.065 0.000 1.050 87 R CA -1.559 54.472 56.100 -0.114 0.000 0.983 87 R CB 2.184 32.409 30.300 -0.124 0.000 1.140 87 R HN 0.315 nan 8.270 nan 0.000 0.528 88 P HA -0.144 nan 4.420 nan 0.000 0.219 88 P C 0.900 178.219 177.300 0.032 0.000 1.146 88 P CA 1.303 64.480 63.100 0.129 0.000 0.808 88 P CB 0.389 32.148 31.700 0.099 0.000 0.779 89 T N -6.611 107.949 114.554 0.010 0.000 3.145 89 T HA 0.445 4.794 4.350 -0.001 0.000 0.281 89 T C 1.253 175.937 174.700 -0.028 0.000 1.003 89 T CA 0.131 62.223 62.100 -0.013 0.000 0.901 89 T CB -0.548 68.310 68.868 -0.016 0.000 1.112 89 T HN 0.177 nan 8.240 nan 0.000 0.535 90 G N 2.317 111.095 108.800 -0.035 0.000 2.225 90 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.267 90 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.267 90 G C 0.024 174.887 174.900 -0.062 0.000 1.024 90 G CA 0.686 45.754 45.100 -0.053 0.000 0.784 90 G HN 1.164 nan 8.290 nan 0.000 0.507 91 I N -4.108 116.424 120.570 -0.063 0.000 3.042 91 I HA 0.719 4.888 4.170 -0.001 0.000 0.310 91 I C -0.169 175.898 176.117 -0.083 0.000 1.117 91 I CA -1.634 59.625 61.300 -0.069 0.000 1.003 91 I CB 1.550 39.516 38.000 -0.056 0.000 1.228 91 I HN -0.142 nan 8.210 nan 0.000 0.443 92 D N 2.107 122.451 120.400 -0.093 0.000 2.346 92 D HA 0.273 4.913 4.640 -0.001 0.000 0.249 92 D C 0.410 176.652 176.300 -0.098 0.000 1.308 92 D CA -0.041 53.894 54.000 -0.108 0.000 0.987 92 D CB 0.364 41.084 40.800 -0.132 0.000 1.114 92 D HN 0.823 nan 8.370 nan 0.000 0.529 93 A N 0.967 123.720 122.820 -0.111 0.000 2.561 93 A HA 0.188 4.508 4.320 -0.001 0.000 0.234 93 A C -1.453 176.077 177.584 -0.089 0.000 1.055 93 A CA -0.637 51.339 52.037 -0.102 0.000 0.756 93 A CB -0.179 18.757 19.000 -0.107 0.000 0.986 93 A HN 0.412 nan 8.150 nan 0.000 0.505 94 P HA 0.088 nan 4.420 nan 0.000 0.253 94 P C 0.726 177.978 177.300 -0.081 0.000 1.508 94 P CA 0.344 63.387 63.100 -0.094 0.000 0.883 94 P CB -0.533 31.112 31.700 -0.093 0.000 1.519 95 G N 3.311 112.069 108.800 -0.070 0.000 2.257 95 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.235 95 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.235 95 G C -1.936 172.932 174.900 -0.052 0.000 1.225 95 G CA -0.581 44.486 45.100 -0.055 0.000 0.878 95 G HN 0.170 nan 8.290 nan 0.000 0.505 96 P HA 0.085 nan 4.420 nan 0.000 0.230 96 P C -0.531 176.788 177.300 0.031 0.000 1.791 96 P CA -0.459 62.635 63.100 -0.010 0.000 1.020 96 P CB 0.109 31.817 31.700 0.014 0.000 1.977 97 N N 0.445 119.145 118.700 0.000 0.000 2.493 97 N HA 0.263 5.003 4.740 -0.001 0.000 0.275 97 N C 0.239 175.779 175.510 0.050 0.000 1.186 97 N CA -0.177 52.871 53.050 -0.003 0.000 0.978 97 N CB 0.718 39.168 38.487 -0.061 0.000 1.184 97 N HN 0.104 nan 8.380 nan 0.000 0.487 98 S N 0.502 116.181 115.700 -0.035 0.000 2.638 98 S HA 0.532 5.002 4.470 -0.001 0.000 0.298 98 S C -0.015 174.468 174.600 -0.194 0.000 1.111 98 S CA -0.722 57.453 58.200 -0.043 0.000 1.027 98 S CB 1.104 64.315 63.200 0.018 0.000 1.064 98 S HN 0.284 nan 8.310 nan 0.000 0.525 99 I N 2.961 123.383 120.570 -0.246 0.000 2.321 99 I HA 0.394 4.563 4.170 -0.001 0.000 0.291 99 I C -0.344 175.544 176.117 -0.381 0.000 0.998 99 I CA -0.186 60.889 61.300 -0.374 0.000 1.227 99 I CB 0.511 38.154 38.000 -0.595 0.000 1.368 99 I HN 0.447 nan 8.210 nan 0.000 0.466 100 L N 5.625 126.575 121.223 -0.455 0.000 2.303 100 L HA 0.618 4.958 4.340 -0.001 0.000 0.266 100 L C -0.263 176.297 176.870 -0.516 0.000 1.011 100 L CA -0.734 53.833 54.840 -0.456 0.000 0.818 100 L CB 2.065 43.796 42.059 -0.546 0.000 1.326 100 L HN 0.531 nan 8.230 nan 0.000 0.435 101 Q N 1.024 120.640 119.800 -0.306 0.000 2.377 101 Q HA 0.539 4.878 4.340 -0.001 0.000 0.279 101 Q C -1.744 174.258 176.000 0.004 0.000 1.049 101 Q CA -0.835 54.885 55.803 -0.139 0.000 0.825 101 Q CB 2.754 31.533 28.738 0.069 0.000 1.401 101 Q HN 0.589 nan 8.270 nan 0.000 0.404 102 R N 1.853 122.430 120.500 0.128 0.000 2.670 102 R HA 0.548 4.888 4.340 -0.001 0.000 0.289 102 R C -0.916 175.622 176.300 0.397 0.000 0.965 102 R CA -0.871 55.382 56.100 0.255 0.000 0.899 102 R CB 2.402 32.860 30.300 0.263 0.000 1.173 102 R HN 0.558 nan 8.270 nan 0.000 0.456 103 R N 0.969 121.659 120.500 0.316 0.000 2.562 103 R HA 0.348 4.687 4.340 -0.001 0.000 0.298 103 R C -1.185 175.047 176.300 -0.113 0.000 0.961 103 R CA -0.287 55.898 56.100 0.143 0.000 0.881 103 R CB 2.022 32.350 30.300 0.046 0.000 1.159 103 R HN 0.561 nan 8.270 nan 0.000 0.450 104 S N 1.558 116.898 115.700 -0.600 0.000 2.456 104 S HA 0.156 4.626 4.470 -0.001 0.000 0.316 104 S C 0.610 174.896 174.600 -0.522 0.000 1.089 104 S CA -0.550 57.104 58.200 -0.910 0.000 1.101 104 S CB 1.326 63.410 63.200 -1.860 0.000 0.995 104 S HN 0.720 nan 8.310 nan 0.000 0.468 105 T N 0.336 114.678 114.554 -0.354 0.000 3.122 105 T HA 0.179 4.528 4.350 -0.001 0.000 0.250 105 T C 0.107 174.674 174.700 -0.222 0.000 1.067 105 T CA 0.063 62.020 62.100 -0.238 0.000 0.966 105 T CB -0.319 68.454 68.868 -0.159 0.000 1.002 105 T HN 0.642 nan 8.240 nan 0.000 0.542 106 D N 0.046 120.279 120.400 -0.278 0.000 2.891 106 D HA 0.312 4.951 4.640 -0.001 0.000 0.332 106 D C 1.197 177.368 176.300 -0.215 0.000 1.369 106 D CA -0.464 53.411 54.000 -0.208 0.000 0.827 106 D CB -0.308 40.391 40.800 -0.169 0.000 1.141 106 D HN 0.323 nan 8.370 nan 0.000 0.464 107 G N -0.211 108.444 108.800 -0.242 0.000 2.179 107 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.257 107 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.257 107 G C 1.161 175.939 174.900 -0.204 0.000 1.010 107 G CA 0.478 45.462 45.100 -0.194 0.000 0.736 107 G HN 1.523 nan 8.290 nan 0.000 0.513 108 G N -1.531 107.020 108.800 -0.415 0.000 2.176 108 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.232 108 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.232 108 G C 1.135 175.954 174.900 -0.134 0.000 0.986 108 G CA 1.072 45.903 45.100 -0.448 0.000 0.643 108 G HN 0.882 nan 8.290 nan 0.000 0.522 109 R N 0.404 120.817 120.500 -0.145 0.000 2.066 109 R HA 0.134 4.474 4.340 -0.001 0.000 0.232 109 R C 1.593 177.890 176.300 -0.006 0.000 1.131 109 R CA 1.783 57.873 56.100 -0.017 0.000 0.955 109 R CB -0.242 30.033 30.300 -0.042 0.000 0.851 109 R HN 0.645 nan 8.270 nan 0.000 0.432 110 T N -2.883 111.560 114.554 -0.184 0.000 2.916 110 T HA 0.506 4.855 4.350 -0.001 0.000 0.292 110 T C -1.270 173.231 174.700 -0.331 0.000 1.055 110 T CA -0.896 61.151 62.100 -0.089 0.000 1.009 110 T CB 1.757 70.598 68.868 -0.045 0.000 1.118 110 T HN 0.146 nan 8.240 nan 0.000 0.497 111 W N -0.061 121.209 121.300 -0.050 0.000 2.915 111 W HA 0.676 5.335 4.660 -0.001 0.000 0.337 111 W C 0.528 177.031 176.519 -0.027 0.000 1.102 111 W CA -0.659 56.654 57.345 -0.054 0.000 1.224 111 W CB 2.132 31.554 29.460 -0.063 0.000 1.416 111 W HN 1.184 nan 8.180 nan 0.000 0.503 112 G N 0.311 109.213 108.800 0.170 0.000 2.509 112 G HA2 0.276 4.236 3.960 -0.001 0.000 0.269 112 G HA3 0.276 4.236 3.960 -0.001 0.000 0.269 112 G C -0.650 174.329 174.900 0.131 0.000 1.416 112 G CA -0.612 44.553 45.100 0.108 0.000 1.052 112 G HN 0.486 nan 8.290 nan 0.000 0.542 113 E N -0.554 119.703 120.200 0.096 0.000 2.404 113 E HA 0.092 4.441 4.350 -0.001 0.000 0.261 113 E C 0.083 176.749 176.600 0.109 0.000 1.074 113 E CA -0.182 56.274 56.400 0.093 0.000 0.917 113 E CB 0.493 30.237 29.700 0.072 0.000 0.965 113 E HN 0.376 nan 8.360 nan 0.000 0.433 114 Q N 2.674 122.541 119.800 0.112 0.000 2.281 114 Q HA 0.012 4.352 4.340 -0.001 0.000 0.267 114 Q C -0.860 175.200 176.000 0.100 0.000 1.053 114 Q CA 0.314 56.187 55.803 0.117 0.000 0.905 114 Q CB 0.614 29.448 28.738 0.161 0.000 1.195 114 Q HN 0.422 nan 8.270 nan 0.000 0.398 115 Q N 1.794 121.635 119.800 0.069 0.000 2.297 115 Q HA 0.552 4.892 4.340 -0.001 0.000 0.269 115 Q C -1.156 174.855 176.000 0.018 0.000 1.051 115 Q CA -1.068 54.774 55.803 0.066 0.000 0.869 115 Q CB 2.265 31.057 28.738 0.090 0.000 1.346 115 Q HN 0.449 nan 8.270 nan 0.000 0.457 116 V N 1.867 121.797 119.914 0.027 0.000 2.383 116 V HA 0.090 4.209 4.120 -0.001 0.000 0.275 116 V C 0.696 176.749 176.094 -0.068 0.000 1.036 116 V CA -0.171 62.113 62.300 -0.027 0.000 0.889 116 V CB 1.135 32.968 31.823 0.016 0.000 0.985 116 V HN 0.722 nan 8.190 nan 0.000 0.459 117 V N 3.194 122.981 119.914 -0.211 0.000 2.426 117 V HA 0.049 4.168 4.120 -0.001 0.000 0.242 117 V C 0.882 176.826 176.094 -0.250 0.000 1.036 117 V CA 1.203 63.277 62.300 -0.377 0.000 1.044 117 V CB 0.353 31.725 31.823 -0.752 0.000 0.688 117 V HN 0.819 nan 8.190 nan 0.000 0.462 118 S N 0.174 115.657 115.700 -0.361 0.000 2.733 118 S HA 0.724 5.194 4.470 -0.001 0.000 0.294 118 S C -0.306 174.080 174.600 -0.357 0.000 1.149 118 S CA -0.405 57.480 58.200 -0.526 0.000 1.034 118 S CB 1.530 64.249 63.200 -0.803 0.000 1.015 118 S HN 0.458 nan 8.310 nan 0.000 0.486 119 A N 2.834 125.481 122.820 -0.288 0.000 2.302 119 A HA 0.699 5.018 4.320 -0.001 0.000 0.295 119 A C 0.831 178.545 177.584 0.217 0.000 1.235 119 A CA -0.349 51.676 52.037 -0.019 0.000 0.876 119 A CB -0.102 18.885 19.000 -0.021 0.000 1.133 119 A HN 0.849 nan 8.150 nan 0.000 0.533 120 G N 1.118 110.099 108.800 0.302 0.000 2.634 120 G HA2 0.457 4.416 3.960 -0.001 0.000 0.255 120 G HA3 0.457 4.416 3.960 -0.001 0.000 0.255 120 G C -0.240 174.777 174.900 0.195 0.000 1.205 120 G CA -0.353 44.936 45.100 0.314 0.000 0.884 120 G HN 0.771 nan 8.290 nan 0.000 0.549 121 Q N -0.757 119.128 119.800 0.142 0.000 2.339 121 Q HA 0.263 4.603 4.340 -0.001 0.000 0.268 121 Q C 0.825 176.860 176.000 0.058 0.000 1.027 121 Q CA -0.394 55.466 55.803 0.094 0.000 0.759 121 Q CB 1.578 30.373 28.738 0.096 0.000 1.244 121 Q HN 0.710 nan 8.270 nan 0.000 0.464 122 T N -2.399 112.181 114.554 0.043 0.000 3.067 122 T HA -0.020 4.329 4.350 -0.001 0.000 0.257 122 T C 1.039 175.746 174.700 0.012 0.000 1.105 122 T CA 0.367 62.481 62.100 0.023 0.000 1.104 122 T CB 0.094 68.971 68.868 0.014 0.000 0.925 122 T HN 0.546 nan 8.240 nan 0.000 0.498 123 T N 0.539 115.101 114.554 0.014 0.000 2.867 123 T HA 0.732 5.082 4.350 -0.001 0.000 0.282 123 T C 0.154 174.862 174.700 0.014 0.000 1.000 123 T CA -0.618 61.487 62.100 0.009 0.000 1.042 123 T CB 1.392 70.264 68.868 0.006 0.000 0.973 123 T HN 0.416 nan 8.240 nan 0.000 0.465 124 A N 4.792 127.617 122.820 0.009 0.000 2.483 124 A HA 0.525 4.845 4.320 -0.001 0.000 0.238 124 A C -1.465 176.129 177.584 0.017 0.000 1.070 124 A CA -1.111 50.932 52.037 0.010 0.000 0.770 124 A CB -0.788 18.214 19.000 0.004 0.000 1.008 124 A HN 0.880 nan 8.150 nan 0.000 0.497 125 P HA 0.192 nan 4.420 nan 0.000 0.271 125 P C -0.403 176.916 177.300 0.031 0.000 1.233 125 P CA -0.254 62.861 63.100 0.025 0.000 0.764 125 P CB 0.335 32.057 31.700 0.037 0.000 0.825 126 I N 3.348 123.926 120.570 0.013 0.000 2.710 126 I HA 0.046 4.216 4.170 -0.001 0.000 0.286 126 I C 1.108 177.232 176.117 0.012 0.000 1.181 126 I CA 0.361 61.665 61.300 0.006 0.000 1.430 126 I CB -0.406 37.581 38.000 -0.021 0.000 1.367 126 I HN 0.352 nan 8.210 nan 0.000 0.577 127 K N 3.873 124.290 120.400 0.027 0.000 2.316 127 K HA 0.695 5.015 4.320 -0.001 0.000 0.251 127 K C -0.123 176.385 176.600 -0.154 0.000 0.934 127 K CA -0.668 55.613 56.287 -0.010 0.000 0.802 127 K CB 2.453 35.042 32.500 0.148 0.000 1.171 127 K HN 0.816 nan 8.250 nan 0.000 0.426 128 G N 1.886 110.478 108.800 -0.346 0.000 2.566 128 G HA2 0.675 4.635 3.960 -0.001 0.000 0.311 128 G HA3 0.675 4.635 3.960 -0.001 0.000 0.311 128 G C -1.400 173.123 174.900 -0.628 0.000 1.322 128 G CA -0.488 44.409 45.100 -0.339 0.000 0.969 128 G HN 0.336 nan 8.290 nan 0.000 0.490 129 F N 1.145 121.137 119.950 0.070 0.000 2.460 129 F HA 0.731 5.257 4.527 -0.001 0.000 0.341 129 F C 0.451 176.215 175.800 -0.059 0.000 1.130 129 F CA -0.795 57.231 58.000 0.043 0.000 0.962 129 F CB 2.588 41.535 39.000 -0.087 0.000 1.171 129 F HN 0.458 nan 8.300 nan 0.000 0.436 130 S N 1.502 117.280 115.700 0.130 0.000 2.550 130 S HA 0.576 5.045 4.470 -0.001 0.000 0.270 130 S C -1.836 172.823 174.600 0.098 0.000 1.145 130 S CA -0.626 57.600 58.200 0.044 0.000 0.852 130 S CB 1.072 64.264 63.200 -0.014 0.000 1.119 130 S HN 0.645 nan 8.310 nan 0.000 0.465 131 D N 1.627 122.061 120.400 0.056 0.000 3.585 131 D HA -0.064 4.576 4.640 -0.001 0.000 0.251 131 D C -2.736 173.624 176.300 0.101 0.000 1.065 131 D CA 0.535 54.592 54.000 0.096 0.000 1.048 131 D CB -0.356 40.530 40.800 0.143 0.000 0.952 131 D HN 0.312 nan 8.370 nan 0.000 0.421 132 P HA 0.304 nan 4.420 nan 0.000 0.278 132 P C -0.592 176.695 177.300 -0.020 0.000 1.238 132 P CA -0.330 62.760 63.100 -0.018 0.000 0.794 132 P CB 1.774 33.360 31.700 -0.191 0.000 0.955 133 S N 2.232 117.935 115.700 0.005 0.000 2.571 133 S HA 0.469 4.939 4.470 -0.001 0.000 0.284 133 S C -1.315 173.373 174.600 0.146 0.000 1.128 133 S CA -0.595 57.636 58.200 0.050 0.000 0.970 133 S CB 0.359 63.577 63.200 0.029 0.000 1.039 133 S HN 0.256 nan 8.310 nan 0.000 0.485 134 Y N 3.320 123.755 120.300 0.224 0.000 2.299 134 Y HA 0.585 5.135 4.550 -0.001 0.000 0.326 134 Y C 0.165 176.268 175.900 0.338 0.000 1.164 134 Y CA -0.543 57.724 58.100 0.279 0.000 1.234 134 Y CB 1.205 39.800 38.460 0.224 0.000 1.219 134 Y HN 0.547 nan 8.280 nan 0.000 0.497 135 L N 3.822 125.438 121.223 0.655 0.000 2.439 135 L HA 0.528 4.868 4.340 -0.001 0.000 0.270 135 L C -1.647 175.570 176.870 0.579 0.000 0.972 135 L CA -0.823 54.367 54.840 0.585 0.000 0.836 135 L CB 1.392 43.866 42.059 0.691 0.000 1.255 135 L HN 0.361 nan 8.230 nan 0.000 0.404 136 V N 3.220 123.365 119.914 0.386 0.000 2.407 136 V HA 0.230 4.349 4.120 -0.001 0.000 0.278 136 V C -0.129 176.158 176.094 0.321 0.000 1.037 136 V CA -0.534 61.938 62.300 0.286 0.000 0.900 136 V CB 1.482 33.390 31.823 0.141 0.000 0.983 136 V HN 0.607 nan 8.190 nan 0.000 0.459 137 D N 4.677 125.286 120.400 0.348 0.000 2.393 137 D HA 0.167 4.807 4.640 -0.001 0.000 0.232 137 D C 1.174 177.575 176.300 0.169 0.000 1.192 137 D CA -0.218 53.974 54.000 0.319 0.000 0.882 137 D CB 0.710 41.765 40.800 0.425 0.000 1.038 137 D HN 0.443 nan 8.370 nan 0.000 0.499 138 R N 2.479 123.064 120.500 0.142 0.000 2.276 138 R HA -0.015 4.324 4.340 -0.001 0.000 0.203 138 R C 1.304 177.638 176.300 0.057 0.000 1.017 138 R CA 0.450 56.598 56.100 0.079 0.000 1.010 138 R CB 0.488 30.832 30.300 0.073 0.000 0.900 138 R HN 0.539 nan 8.270 nan 0.000 0.469 139 E N 0.180 120.428 120.200 0.080 0.000 2.072 139 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 139 E C 1.599 178.160 176.600 -0.065 0.000 0.982 139 E CA 1.763 58.178 56.400 0.026 0.000 0.803 139 E CB 0.140 29.892 29.700 0.086 0.000 0.755 139 E HN 0.348 nan 8.360 nan 0.000 0.453 140 T N -3.715 110.790 114.554 -0.081 0.000 3.001 140 T HA 0.309 4.659 4.350 -0.001 0.000 0.251 140 T C 1.553 176.210 174.700 -0.071 0.000 1.040 140 T CA 0.341 62.365 62.100 -0.126 0.000 0.985 140 T CB 0.911 69.674 68.868 -0.176 0.000 1.011 140 T HN 0.279 nan 8.240 nan 0.000 0.509 141 G N 1.359 110.138 108.800 -0.035 0.000 2.179 141 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.260 141 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.260 141 G C 0.206 175.048 174.900 -0.097 0.000 0.977 141 G CA 0.262 45.330 45.100 -0.054 0.000 0.641 141 G HN 0.705 nan 8.290 nan 0.000 0.533 142 T N 1.080 115.573 114.554 -0.102 0.000 2.919 142 T HA 0.539 4.889 4.350 -0.001 0.000 0.302 142 T C 0.672 175.164 174.700 -0.346 0.000 1.031 142 T CA 0.372 62.313 62.100 -0.264 0.000 1.127 142 T CB 1.242 69.930 68.868 -0.300 0.000 0.952 142 T HN 0.346 nan 8.240 nan 0.000 0.540 143 I N 3.012 123.301 120.570 -0.467 0.000 2.404 143 I HA 0.461 4.630 4.170 -0.001 0.000 0.293 143 I C -0.790 175.137 176.117 -0.318 0.000 0.992 143 I CA -0.792 60.360 61.300 -0.247 0.000 1.149 143 I CB 1.263 39.205 38.000 -0.096 0.000 1.315 143 I HN 0.470 nan 8.210 nan 0.000 0.446 144 F N 4.061 124.233 119.950 0.370 0.000 2.492 144 F HA 0.445 4.972 4.527 -0.001 0.000 0.327 144 F C 0.357 176.348 175.800 0.318 0.000 1.079 144 F CA -0.746 57.415 58.000 0.269 0.000 0.967 144 F CB 1.227 40.264 39.000 0.061 0.000 1.169 144 F HN 0.381 nan 8.300 nan 0.000 0.472 145 N N 2.860 121.682 118.700 0.202 0.000 2.531 145 N HA 0.291 5.030 4.740 -0.001 0.000 0.268 145 N C -1.637 173.778 175.510 -0.159 0.000 1.023 145 N CA -0.306 52.734 53.050 -0.018 0.000 0.896 145 N CB 0.648 38.895 38.487 -0.400 0.000 1.233 145 N HN 0.353 nan 8.380 nan 0.000 0.512 146 F N 4.015 123.918 119.950 -0.078 0.000 2.399 146 F HA 0.382 4.908 4.527 -0.001 0.000 0.342 146 F C 1.204 176.902 175.800 -0.171 0.000 1.106 146 F CA 0.214 58.088 58.000 -0.211 0.000 1.196 146 F CB 0.767 39.656 39.000 -0.186 0.000 1.163 146 F HN 0.438 nan 8.300 nan 0.000 0.547 147 H N -0.390 118.781 119.070 0.167 0.000 2.950 147 H HA 0.484 5.040 4.556 -0.001 0.000 0.307 147 H C -1.291 174.168 175.328 0.218 0.000 1.403 147 H CA -1.352 54.779 56.048 0.139 0.000 1.145 147 H CB 0.443 30.256 29.762 0.086 0.000 1.844 147 H HN 0.509 nan 8.280 nan 0.000 0.515 148 V N -0.427 119.688 119.914 0.336 0.000 3.051 148 V HA 0.270 4.390 4.120 -0.001 0.000 0.306 148 V C -0.524 175.818 176.094 0.412 0.000 1.083 148 V CA -0.475 62.001 62.300 0.294 0.000 1.104 148 V CB 0.585 32.509 31.823 0.169 0.000 1.027 148 V HN 0.715 nan 8.190 nan 0.000 0.483 149 Y N 4.318 124.741 120.300 0.205 0.000 2.345 149 Y HA 0.693 5.243 4.550 -0.001 0.000 0.331 149 Y C 0.090 175.961 175.900 -0.047 0.000 0.959 149 Y CA -0.923 57.201 58.100 0.040 0.000 1.204 149 Y CB 0.911 39.512 38.460 0.234 0.000 1.135 149 Y HN 1.071 nan 8.280 nan 0.000 0.477 150 S N 4.541 120.029 115.700 -0.353 0.000 2.593 150 S HA 0.633 5.102 4.470 -0.001 0.000 0.297 150 S C -0.187 174.090 174.600 -0.539 0.000 1.112 150 S CA -0.544 57.407 58.200 -0.415 0.000 1.043 150 S CB 2.762 65.831 63.200 -0.219 0.000 1.054 150 S HN 0.843 nan 8.310 nan 0.000 0.516 151 Q N 0.561 120.113 119.800 -0.413 0.000 2.160 151 Q HA 0.347 4.687 4.340 -0.001 0.000 0.166 151 Q C 1.764 177.669 176.000 -0.159 0.000 0.592 151 Q CA -0.522 55.122 55.803 -0.265 0.000 0.711 151 Q CB 0.173 28.765 28.738 -0.244 0.000 1.157 151 Q HN 0.691 nan 8.270 nan 0.000 0.463 152 R N -0.052 120.369 120.500 -0.132 0.000 2.223 152 R HA 0.161 4.501 4.340 -0.001 0.000 0.198 152 R C 0.114 176.358 176.300 -0.093 0.000 0.984 152 R CA 0.456 56.501 56.100 -0.092 0.000 1.018 152 R CB 0.526 30.785 30.300 -0.068 0.000 0.945 152 R HN 0.219 nan 8.270 nan 0.000 0.479 153 Q N -0.172 119.559 119.800 -0.114 0.000 2.365 153 Q HA 0.410 4.749 4.340 -0.001 0.000 0.269 153 Q C -0.020 175.919 176.000 -0.103 0.000 1.061 153 Q CA -0.398 55.345 55.803 -0.099 0.000 0.816 153 Q CB 2.165 30.842 28.738 -0.102 0.000 1.325 153 Q HN 0.146 nan 8.270 nan 0.000 0.446 154 G N 0.247 109.000 108.800 -0.078 0.000 2.882 154 G HA2 0.215 4.174 3.960 -0.001 0.000 0.164 154 G HA3 0.215 4.174 3.960 -0.001 0.000 0.164 154 G C 0.152 175.041 174.900 -0.019 0.000 1.429 154 G CA -0.221 44.843 45.100 -0.059 0.000 1.059 154 G HN 0.511 nan 8.290 nan 0.000 0.581 155 F N 1.258 121.093 119.950 -0.192 0.000 2.128 155 F HA 0.171 4.697 4.527 -0.001 0.000 0.295 155 F C 2.683 178.401 175.800 -0.137 0.000 1.100 155 F CA 1.745 59.625 58.000 -0.200 0.000 1.260 155 F CB -0.315 38.460 39.000 -0.376 0.000 1.009 155 F HN 0.278 nan 8.300 nan 0.000 0.476 156 A N -0.024 122.686 122.820 -0.183 0.000 1.930 156 A HA 0.034 4.353 4.320 -0.001 0.000 0.217 156 A C 2.311 179.794 177.584 -0.169 0.000 1.175 156 A CA 1.485 53.396 52.037 -0.210 0.000 0.627 156 A CB -1.645 17.341 19.000 -0.023 0.000 0.815 156 A HN 0.492 nan 8.150 nan 0.000 0.443 157 G N -0.978 107.751 108.800 -0.118 0.000 2.939 157 G HA2 0.239 4.199 3.960 -0.001 0.000 0.210 157 G HA3 0.239 4.199 3.960 -0.001 0.000 0.210 157 G C 0.764 175.603 174.900 -0.102 0.000 1.160 157 G CA 0.708 45.753 45.100 -0.092 0.000 0.770 157 G HN 0.499 nan 8.290 nan 0.000 0.543 158 S N 0.222 115.843 115.700 -0.131 0.000 2.558 158 S HA 0.324 4.793 4.470 -0.001 0.000 0.288 158 S C 0.578 175.118 174.600 -0.099 0.000 1.318 158 S CA -0.146 57.983 58.200 -0.118 0.000 1.056 158 S CB 0.541 63.672 63.200 -0.116 0.000 0.853 158 S HN 0.410 nan 8.310 nan 0.000 0.505 159 R N 3.121 123.572 120.500 -0.081 0.000 2.787 159 R HA 0.507 4.847 4.340 -0.001 0.000 0.271 159 R C -2.607 173.671 176.300 -0.037 0.000 0.993 159 R CA -2.281 53.788 56.100 -0.052 0.000 0.993 159 R CB 0.803 31.077 30.300 -0.042 0.000 1.155 159 R HN 0.432 nan 8.270 nan 0.000 0.486 160 P HA 0.152 nan 4.420 nan 0.000 0.267 160 P C -0.458 176.844 177.300 0.003 0.000 1.200 160 P CA 0.284 63.389 63.100 0.008 0.000 0.772 160 P CB 0.681 32.391 31.700 0.017 0.000 0.855 161 G N 0.383 109.192 108.800 0.016 0.000 2.334 161 G HA2 0.258 4.218 3.960 -0.001 0.000 0.566 161 G HA3 0.258 4.218 3.960 -0.001 0.000 0.566 161 G C -0.099 174.832 174.900 0.051 0.000 1.413 161 G CA -0.038 45.079 45.100 0.028 0.000 0.993 161 G HN 0.627 nan 8.290 nan 0.000 0.642 162 T N -2.541 112.072 114.554 0.099 0.000 3.130 162 T HA 0.366 4.715 4.350 -0.001 0.000 0.288 162 T C 0.197 175.060 174.700 0.271 0.000 0.936 162 T CA 0.865 63.073 62.100 0.180 0.000 0.897 162 T CB 0.525 69.467 68.868 0.125 0.000 1.178 162 T HN 0.721 nan 8.240 nan 0.000 0.543 163 D N 3.085 123.606 120.400 0.201 0.000 2.450 163 D HA 0.221 4.860 4.640 -0.001 0.000 0.247 163 D C -1.374 175.046 176.300 0.199 0.000 1.162 163 D CA -1.663 52.432 54.000 0.159 0.000 0.879 163 D CB 1.393 42.258 40.800 0.109 0.000 1.163 163 D HN -0.016 nan 8.370 nan 0.000 0.472 164 P HA -0.128 nan 4.420 nan 0.000 0.218 164 P C 0.425 177.688 177.300 -0.061 0.000 1.146 164 P CA 1.169 64.097 63.100 -0.286 0.000 0.813 164 P CB 0.167 31.798 31.700 -0.115 0.000 0.778 165 A N -1.446 121.426 122.820 0.088 0.000 2.275 165 A HA -0.002 4.317 4.320 -0.001 0.000 0.212 165 A C 0.992 178.672 177.584 0.161 0.000 1.201 165 A CA 0.015 52.136 52.037 0.140 0.000 0.843 165 A CB -0.814 18.244 19.000 0.096 0.000 0.873 165 A HN 0.027 nan 8.150 nan 0.000 0.492 166 D N 1.424 121.952 120.400 0.214 0.000 2.389 166 D HA 0.046 4.686 4.640 -0.001 0.000 0.263 166 D C -1.456 174.884 176.300 0.066 0.000 1.255 166 D CA -1.367 52.715 54.000 0.137 0.000 0.914 166 D CB 1.090 41.969 40.800 0.131 0.000 1.116 166 D HN 0.185 nan 8.370 nan 0.000 0.502 167 P HA -0.038 nan 4.420 nan 0.000 0.239 167 P C 0.291 177.539 177.300 -0.086 0.000 1.184 167 P CA 0.441 63.515 63.100 -0.044 0.000 0.760 167 P CB 0.510 32.198 31.700 -0.021 0.000 0.884 168 N N -0.636 118.020 118.700 -0.074 0.000 2.187 168 N HA 0.109 4.848 4.740 -0.001 0.000 0.212 168 N C -0.284 175.152 175.510 -0.124 0.000 1.152 168 N CA 0.030 53.027 53.050 -0.088 0.000 0.872 168 N CB 1.443 39.897 38.487 -0.055 0.000 1.025 168 N HN 0.025 nan 8.380 nan 0.000 0.514 169 V N 1.898 121.700 119.914 -0.187 0.000 2.435 169 V HA 0.271 4.391 4.120 -0.001 0.000 0.290 169 V C -0.069 175.793 176.094 -0.387 0.000 1.030 169 V CA -0.873 61.245 62.300 -0.303 0.000 0.881 169 V CB 2.329 33.875 31.823 -0.463 0.000 0.983 169 V HN 0.028 nan 8.190 nan 0.000 0.445 170 L N 6.273 127.342 121.223 -0.257 0.000 2.363 170 L HA 0.329 4.669 4.340 -0.001 0.000 0.286 170 L C 0.261 177.045 176.870 -0.144 0.000 1.106 170 L CA 0.459 55.202 54.840 -0.160 0.000 0.859 170 L CB -0.413 41.637 42.059 -0.015 0.000 1.223 170 L HN 0.573 nan 8.230 nan 0.000 0.446 171 H N 3.786 122.880 119.070 0.038 0.000 2.652 171 H HA 0.333 4.888 4.556 -0.001 0.000 0.349 171 H C -0.104 175.359 175.328 0.226 0.000 1.099 171 H CA 0.131 56.270 56.048 0.151 0.000 1.417 171 H CB 1.268 31.172 29.762 0.237 0.000 1.457 171 H HN 0.711 nan 8.280 nan 0.000 0.568 172 A N 4.359 127.406 122.820 0.379 0.000 2.343 172 A HA 0.194 4.513 4.320 -0.001 0.000 0.305 172 A C 0.269 178.019 177.584 0.278 0.000 1.308 172 A CA -0.497 51.756 52.037 0.360 0.000 0.949 172 A CB -0.441 18.771 19.000 0.354 0.000 1.148 172 A HN 0.630 nan 8.150 nan 0.000 0.545 173 N N 0.121 118.947 118.700 0.210 0.000 2.443 173 N HA 0.643 5.382 4.740 -0.001 0.000 0.293 173 N C -1.132 174.248 175.510 -0.217 0.000 1.159 173 N CA -0.355 52.725 53.050 0.051 0.000 0.904 173 N CB 2.029 40.603 38.487 0.145 0.000 1.214 173 N HN 0.425 nan 8.380 nan 0.000 0.513 174 V N 0.132 119.872 119.914 -0.289 0.000 2.808 174 V HA 0.820 4.940 4.120 -0.001 0.000 0.308 174 V C -1.252 174.679 176.094 -0.273 0.000 1.099 174 V CA -0.656 61.334 62.300 -0.518 0.000 0.920 174 V CB 1.483 32.758 31.823 -0.913 0.000 1.014 174 V HN 0.787 nan 8.190 nan 0.000 0.425 175 A N 4.203 126.882 122.820 -0.235 0.000 2.306 175 A HA 0.861 5.181 4.320 -0.001 0.000 0.314 175 A C 0.028 177.730 177.584 0.197 0.000 1.164 175 A CA -0.333 51.646 52.037 -0.096 0.000 0.822 175 A CB 1.082 19.945 19.000 -0.227 0.000 1.130 175 A HN 0.915 nan 8.150 nan 0.000 0.496 176 T N 1.479 116.167 114.554 0.224 0.000 2.824 176 T HA 0.553 4.902 4.350 -0.001 0.000 0.282 176 T C -0.386 174.271 174.700 -0.071 0.000 0.993 176 T CA -0.314 61.854 62.100 0.114 0.000 0.967 176 T CB 1.340 70.259 68.868 0.084 0.000 0.960 176 T HN 0.714 nan 8.240 nan 0.000 0.441 177 S N 1.308 116.751 115.700 -0.428 0.000 2.519 177 S HA 0.471 4.941 4.470 -0.001 0.000 0.309 177 S C 0.973 175.267 174.600 -0.511 0.000 1.100 177 S CA -0.617 57.143 58.200 -0.733 0.000 1.059 177 S CB 0.868 63.119 63.200 -1.582 0.000 1.008 177 S HN 0.826 nan 8.310 nan 0.000 0.478 178 T N 0.170 114.503 114.554 -0.367 0.000 3.105 178 T HA 0.195 4.545 4.350 -0.001 0.000 0.253 178 T C 0.070 174.620 174.700 -0.249 0.000 1.047 178 T CA 0.038 61.977 62.100 -0.267 0.000 0.944 178 T CB -0.336 68.425 68.868 -0.178 0.000 1.016 178 T HN 0.625 nan 8.240 nan 0.000 0.544 179 D N 0.190 120.403 120.400 -0.312 0.000 2.804 179 D HA 0.355 4.995 4.640 -0.001 0.000 0.308 179 D C 1.215 177.358 176.300 -0.261 0.000 1.371 179 D CA -0.509 53.343 54.000 -0.246 0.000 0.823 179 D CB -0.279 40.397 40.800 -0.208 0.000 1.126 179 D HN 0.328 nan 8.370 nan 0.000 0.467 180 G N -0.325 108.305 108.800 -0.284 0.000 2.147 180 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.244 180 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.244 180 G C 1.133 175.870 174.900 -0.271 0.000 1.005 180 G CA 0.287 45.243 45.100 -0.240 0.000 0.713 180 G HN 1.475 nan 8.290 nan 0.000 0.515 181 G N -1.712 106.794 108.800 -0.489 0.000 2.157 181 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.248 181 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.248 181 G C 1.148 175.849 174.900 -0.332 0.000 0.979 181 G CA 0.862 45.659 45.100 -0.505 0.000 0.650 181 G HN 1.214 nan 8.290 nan 0.000 0.529 182 L N 0.515 121.528 121.223 -0.349 0.000 2.095 182 L HA 0.276 4.615 4.340 -0.001 0.000 0.204 182 L C 1.844 178.606 176.870 -0.179 0.000 1.080 182 L CA 1.942 56.679 54.840 -0.173 0.000 0.759 182 L CB -0.033 41.946 42.059 -0.134 0.000 0.914 182 L HN 0.607 nan 8.230 nan 0.000 0.439 183 T N -4.371 109.953 114.554 -0.382 0.000 2.896 183 T HA 0.488 4.837 4.350 -0.001 0.000 0.297 183 T C -1.558 172.837 174.700 -0.508 0.000 1.108 183 T CA -0.665 61.284 62.100 -0.252 0.000 1.004 183 T CB 1.683 70.485 68.868 -0.109 0.000 1.159 183 T HN 0.030 nan 8.240 nan 0.000 0.499 184 W N 1.055 122.302 121.300 -0.089 0.000 2.998 184 W HA 0.623 5.282 4.660 -0.001 0.000 0.335 184 W C 0.041 176.390 176.519 -0.282 0.000 1.110 184 W CA -0.697 56.522 57.345 -0.211 0.000 1.230 184 W CB 2.269 31.564 29.460 -0.275 0.000 1.405 184 W HN 1.008 nan 8.180 nan 0.000 0.493 185 S N 0.619 116.272 115.700 -0.078 0.000 2.690 185 S HA 0.736 5.205 4.470 -0.001 0.000 0.291 185 S C -1.146 173.276 174.600 -0.296 0.000 1.138 185 S CA -0.760 57.391 58.200 -0.082 0.000 1.013 185 S CB 1.448 64.651 63.200 0.005 0.000 1.053 185 S HN 0.516 nan 8.310 nan 0.000 0.539 186 H N 0.122 119.218 119.070 0.044 0.000 2.600 186 H HA 0.716 5.271 4.556 -0.001 0.000 0.357 186 H C -0.030 175.298 175.328 -0.000 0.000 1.106 186 H CA -0.788 55.260 56.048 -0.001 0.000 1.193 186 H CB 1.516 31.231 29.762 -0.078 0.000 1.594 186 H HN 0.799 nan 8.280 nan 0.000 0.526 187 R N 1.025 121.573 120.500 0.080 0.000 2.808 187 R HA 0.674 5.014 4.340 -0.001 0.000 0.272 187 R C -1.388 174.941 176.300 0.049 0.000 0.995 187 R CA -0.935 55.203 56.100 0.062 0.000 0.917 187 R CB 1.506 31.851 30.300 0.076 0.000 1.217 187 R HN 0.462 nan 8.270 nan 0.000 0.471 188 T N 2.407 116.991 114.554 0.050 0.000 2.771 188 T HA 0.354 4.704 4.350 -0.001 0.000 0.281 188 T C 0.845 175.592 174.700 0.078 0.000 0.982 188 T CA -0.726 61.412 62.100 0.064 0.000 0.978 188 T CB 0.787 69.647 68.868 -0.013 0.000 0.930 188 T HN 0.675 nan 8.240 nan 0.000 0.447 189 I N -0.411 120.222 120.570 0.105 0.000 4.081 189 I HA 0.220 4.390 4.170 -0.001 0.000 0.333 189 I C 1.598 177.783 176.117 0.113 0.000 1.413 189 I CA -0.437 60.924 61.300 0.101 0.000 1.110 189 I CB -0.195 37.843 38.000 0.064 0.000 1.082 189 I HN 0.405 nan 8.210 nan 0.000 0.402 190 T N 1.976 116.636 114.554 0.177 0.000 2.624 190 T HA -0.271 4.078 4.350 -0.001 0.000 0.268 190 T C 2.195 176.973 174.700 0.130 0.000 1.041 190 T CA 2.337 64.555 62.100 0.197 0.000 1.159 190 T CB -0.349 68.744 68.868 0.376 0.000 0.863 190 T HN 0.610 nan 8.240 nan 0.000 0.434 191 A N 2.112 125.005 122.820 0.122 0.000 1.948 191 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 191 A C 2.087 179.699 177.584 0.046 0.000 1.177 191 A CA 1.954 54.037 52.037 0.076 0.000 0.636 191 A CB -0.652 18.390 19.000 0.070 0.000 0.815 191 A HN 0.446 nan 8.150 nan 0.000 0.449 192 D N -0.423 120.011 120.400 0.057 0.000 2.277 192 D HA -0.024 4.615 4.640 -0.001 0.000 0.208 192 D C 1.416 177.726 176.300 0.017 0.000 0.962 192 D CA 1.382 55.409 54.000 0.046 0.000 0.865 192 D CB -0.119 40.738 40.800 0.094 0.000 0.939 192 D HN 0.775 nan 8.370 nan 0.000 0.510 193 I N -2.513 118.064 120.570 0.012 0.000 3.833 193 I HA 0.250 4.419 4.170 -0.001 0.000 0.328 193 I C -0.445 175.706 176.117 0.056 0.000 1.554 193 I CA -0.178 61.116 61.300 -0.011 0.000 1.116 193 I CB 0.614 38.532 38.000 -0.136 0.000 1.182 193 I HN -0.381 nan 8.210 nan 0.000 0.459 194 T N 3.796 118.354 114.554 0.006 0.000 3.401 194 T HA 0.354 4.704 4.350 -0.001 0.000 0.341 194 T C -1.619 172.936 174.700 -0.241 0.000 1.674 194 T CA -0.657 61.423 62.100 -0.034 0.000 1.600 194 T CB 0.947 69.844 68.868 0.047 0.000 0.974 194 T HN 0.231 nan 8.240 nan 0.000 0.672 195 P HA 0.093 nan 4.420 nan 0.000 0.231 195 P C 0.012 177.023 177.300 -0.482 0.000 1.168 195 P CA 0.586 63.459 63.100 -0.378 0.000 0.779 195 P CB 0.423 31.923 31.700 -0.333 0.000 0.844 196 D N 0.770 120.663 120.400 -0.846 0.000 2.381 196 D HA 0.154 4.793 4.640 -0.001 0.000 0.235 196 D C -1.726 174.314 176.300 -0.433 0.000 1.068 196 D CA -2.564 51.011 54.000 -0.708 0.000 0.832 196 D CB 1.859 41.985 40.800 -1.123 0.000 1.101 196 D HN -0.085 nan 8.370 nan 0.000 0.515 197 P HA 0.004 nan 4.420 nan 0.000 0.228 197 P C 1.214 178.512 177.300 -0.003 0.000 1.151 197 P CA 0.418 63.472 63.100 -0.077 0.000 0.770 197 P CB 0.217 31.887 31.700 -0.051 0.000 0.786 198 G N -1.479 107.327 108.800 0.010 0.000 2.598 198 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.215 198 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.215 198 G C -0.115 174.957 174.900 0.287 0.000 1.131 198 G CA -0.214 44.961 45.100 0.125 0.000 0.785 198 G HN 0.161 nan 8.290 nan 0.000 0.539 199 W N 1.600 122.904 121.300 0.007 0.000 2.481 199 W HA 0.461 5.121 4.660 -0.001 0.000 0.320 199 W C 1.415 177.929 176.519 -0.008 0.000 1.209 199 W CA -1.481 55.868 57.345 0.006 0.000 1.400 199 W CB 0.132 29.599 29.460 0.012 0.000 1.361 199 W HN 0.255 nan 8.180 nan 0.000 0.456 200 R N 0.770 121.366 120.500 0.160 0.000 2.282 200 R HA 0.328 4.668 4.340 -0.001 0.000 0.195 200 R C 0.393 176.691 176.300 -0.004 0.000 0.909 200 R CA 0.030 56.162 56.100 0.053 0.000 1.039 200 R CB 0.668 30.975 30.300 0.011 0.000 1.015 200 R HN 0.152 nan 8.270 nan 0.000 0.513 201 S N 0.209 115.905 115.700 -0.007 0.000 2.556 201 S HA 0.598 5.067 4.470 -0.001 0.000 0.271 201 S C -1.830 172.866 174.600 0.159 0.000 1.135 201 S CA -0.937 57.254 58.200 -0.014 0.000 0.858 201 S CB 1.508 64.516 63.200 -0.321 0.000 1.114 201 S HN 0.461 nan 8.310 nan 0.000 0.468 202 R N 1.256 121.965 120.500 0.348 0.000 2.728 202 R HA 0.584 4.923 4.340 -0.001 0.000 0.274 202 R C -2.083 174.548 176.300 0.551 0.000 1.032 202 R CA -0.788 55.585 56.100 0.456 0.000 0.866 202 R CB 0.361 30.858 30.300 0.328 0.000 1.263 202 R HN 0.838 nan 8.270 nan 0.000 0.475 203 F N -1.214 118.806 119.950 0.116 0.000 2.635 203 F HA 0.757 5.284 4.527 -0.001 0.000 0.314 203 F C -1.072 174.459 175.800 -0.448 0.000 1.119 203 F CA -0.977 56.966 58.000 -0.094 0.000 1.000 203 F CB 1.539 40.420 39.000 -0.197 0.000 1.278 203 F HN 0.827 nan 8.300 nan 0.000 0.446 204 A N 2.485 124.823 122.820 -0.803 0.000 2.488 204 A HA 0.582 4.901 4.320 -0.001 0.000 0.249 204 A C 0.456 177.645 177.584 -0.658 0.000 1.083 204 A CA 0.037 51.350 52.037 -1.206 0.000 0.768 204 A CB -0.279 18.174 19.000 -0.911 0.000 1.017 204 A HN 1.661 nan 8.150 nan 0.000 0.496 205 A N 3.632 126.044 122.820 -0.681 0.000 2.491 205 A HA 0.482 4.801 4.320 -0.001 0.000 0.261 205 A C 1.004 178.452 177.584 -0.226 0.000 1.101 205 A CA 0.303 52.075 52.037 -0.442 0.000 0.772 205 A CB -0.555 18.203 19.000 -0.403 0.000 1.043 205 A HN 1.749 nan 8.150 nan 0.000 0.501 206 S N 2.464 118.118 115.700 -0.077 0.000 2.572 206 S HA 0.685 5.155 4.470 -0.001 0.000 0.279 206 S C 0.852 175.448 174.600 -0.006 0.000 1.341 206 S CA 0.163 58.367 58.200 0.007 0.000 1.043 206 S CB 1.181 64.462 63.200 0.136 0.000 0.887 206 S HN 2.383 nan 8.310 nan 0.000 0.516 207 G N 1.239 110.063 108.800 0.039 0.000 2.013 207 G HA2 0.125 4.084 3.960 -0.001 0.000 0.076 207 G HA3 0.125 4.084 3.960 -0.001 0.000 0.076 207 G C -1.104 173.871 174.900 0.124 0.000 1.053 207 G CA -0.150 44.993 45.100 0.071 0.000 1.230 207 G HN 0.997 nan 8.290 nan 0.000 0.431 208 E N -0.190 120.077 120.200 0.112 0.000 2.304 208 E HA 0.551 4.901 4.350 -0.001 0.000 0.277 208 E C 0.217 176.889 176.600 0.121 0.000 0.898 208 E CA -0.150 56.354 56.400 0.173 0.000 0.764 208 E CB 1.413 31.235 29.700 0.202 0.000 1.216 208 E HN 0.915 nan 8.360 nan 0.000 0.419 209 G N 3.044 111.933 108.800 0.148 0.000 2.532 209 G HA2 0.682 4.641 3.960 -0.001 0.000 0.291 209 G HA3 0.682 4.641 3.960 -0.001 0.000 0.291 209 G C -0.096 174.901 174.900 0.161 0.000 1.349 209 G CA -0.513 44.654 45.100 0.112 0.000 1.038 209 G HN 0.599 nan 8.290 nan 0.000 0.518 210 I N -3.822 116.843 120.570 0.159 0.000 3.174 210 I HA 0.680 4.849 4.170 -0.001 0.000 0.313 210 I C -1.197 175.021 176.117 0.168 0.000 1.155 210 I CA -1.164 60.226 61.300 0.150 0.000 0.977 210 I CB 2.463 40.528 38.000 0.107 0.000 1.248 210 I HN 0.473 nan 8.210 nan 0.000 0.453 211 Q N 2.566 122.448 119.800 0.137 0.000 2.330 211 Q HA 0.556 4.895 4.340 -0.001 0.000 0.269 211 Q C -1.527 174.505 176.000 0.053 0.000 1.022 211 Q CA -0.810 55.066 55.803 0.122 0.000 0.796 211 Q CB 2.113 30.940 28.738 0.147 0.000 1.271 211 Q HN 0.700 nan 8.270 nan 0.000 0.450 212 L N 3.625 124.871 121.223 0.039 0.000 2.485 212 L HA 0.138 4.477 4.340 -0.001 0.000 0.275 212 L C 1.190 178.032 176.870 -0.046 0.000 1.207 212 L CA -0.023 54.807 54.840 -0.016 0.000 0.855 212 L CB 0.298 42.370 42.059 0.022 0.000 1.114 212 L HN 0.674 nan 8.230 nan 0.000 0.485 213 R N 1.479 121.865 120.500 -0.190 0.000 2.344 213 R HA 0.185 4.525 4.340 -0.001 0.000 0.209 213 R C -0.585 175.722 176.300 0.012 0.000 0.886 213 R CA 0.209 56.215 56.100 -0.157 0.000 1.040 213 R CB 0.363 30.470 30.300 -0.322 0.000 1.114 213 R HN 0.403 nan 8.270 nan 0.000 0.547 214 Y N 0.185 120.514 120.300 0.049 0.000 2.587 214 Y HA 0.614 5.163 4.550 -0.001 0.000 0.337 214 Y C 1.205 177.112 175.900 0.013 0.000 1.065 214 Y CA -0.988 57.130 58.100 0.030 0.000 1.126 214 Y CB 0.785 39.263 38.460 0.030 0.000 1.279 214 Y HN 0.304 nan 8.280 nan 0.000 0.489 215 G N 1.101 109.999 108.800 0.164 0.000 2.681 215 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.220 215 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.220 215 G C -2.037 172.832 174.900 -0.052 0.000 1.353 215 G CA -0.452 44.669 45.100 0.036 0.000 0.872 215 G HN 0.532 nan 8.290 nan 0.000 0.557 216 P HA 0.097 nan 4.420 nan 0.000 0.229 216 P C 0.804 177.886 177.300 -0.362 0.000 1.160 216 P CA 1.370 64.285 63.100 -0.308 0.000 0.777 216 P CB -0.023 31.412 31.700 -0.441 0.000 0.814 217 H N -0.548 118.517 119.070 -0.008 0.000 2.520 217 H HA 0.427 4.982 4.556 -0.001 0.000 0.284 217 H C 0.649 175.970 175.328 -0.011 0.000 1.037 217 H CA -0.708 55.323 56.048 -0.027 0.000 1.168 217 H CB -0.309 29.413 29.762 -0.068 0.000 1.497 217 H HN 0.056 nan 8.280 nan 0.000 0.547 218 A N 0.836 123.696 122.820 0.068 0.000 2.580 218 A HA 0.307 4.627 4.320 -0.001 0.000 0.244 218 A C 1.605 179.224 177.584 0.059 0.000 1.045 218 A CA 1.223 53.300 52.037 0.067 0.000 0.761 218 A CB -0.394 18.649 19.000 0.072 0.000 0.962 218 A HN 0.660 nan 8.150 nan 0.000 0.512 219 G N 1.517 110.352 108.800 0.060 0.000 2.232 219 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.226 219 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.226 219 G C 0.518 175.424 174.900 0.009 0.000 0.996 219 G CA 0.310 45.445 45.100 0.058 0.000 0.626 219 G HN 1.077 nan 8.290 nan 0.000 0.509 220 R N 1.004 121.518 120.500 0.023 0.000 2.522 220 R HA 0.423 4.763 4.340 -0.001 0.000 0.284 220 R C 0.260 176.603 176.300 0.072 0.000 1.032 220 R CA -0.085 56.028 56.100 0.021 0.000 1.049 220 R CB -0.021 30.288 30.300 0.015 0.000 0.956 220 R HN 0.307 nan 8.270 nan 0.000 0.422 221 L N 6.742 128.018 121.223 0.088 0.000 2.276 221 L HA 0.413 4.752 4.340 -0.001 0.000 0.286 221 L C -0.091 176.972 176.870 0.323 0.000 1.061 221 L CA -0.486 54.484 54.840 0.217 0.000 0.807 221 L CB 1.175 43.382 42.059 0.248 0.000 1.177 221 L HN 0.552 nan 8.230 nan 0.000 0.429 222 I N 3.322 124.059 120.570 0.279 0.000 2.410 222 I HA 0.301 4.470 4.170 -0.001 0.000 0.286 222 I C -0.521 175.681 176.117 0.141 0.000 1.009 222 I CA -0.550 60.898 61.300 0.247 0.000 1.111 222 I CB 1.955 40.058 38.000 0.171 0.000 1.262 222 I HN 0.551 nan 8.210 nan 0.000 0.443 223 Q N 5.788 125.617 119.800 0.048 0.000 2.333 223 Q HA 0.353 4.692 4.340 -0.001 0.000 0.267 223 Q C -1.102 174.839 176.000 -0.100 0.000 1.012 223 Q CA -0.613 55.058 55.803 -0.219 0.000 0.824 223 Q CB 1.605 29.810 28.738 -0.889 0.000 1.290 223 Q HN 0.376 nan 8.270 nan 0.000 0.449 224 Q N 2.518 122.225 119.800 -0.155 0.000 2.327 224 Q HA 0.278 4.617 4.340 -0.001 0.000 0.254 224 Q C -0.987 174.851 176.000 -0.270 0.000 0.952 224 Q CA 0.257 55.983 55.803 -0.128 0.000 0.884 224 Q CB 0.665 29.301 28.738 -0.170 0.000 1.224 224 Q HN 0.648 nan 8.270 nan 0.000 0.422 225 Y N -0.546 119.586 120.300 -0.279 0.000 2.562 225 Y HA 0.399 4.949 4.550 -0.001 0.000 0.343 225 Y C 0.127 175.777 175.900 -0.416 0.000 1.025 225 Y CA -0.642 57.246 58.100 -0.355 0.000 1.082 225 Y CB 2.129 40.448 38.460 -0.235 0.000 1.264 225 Y HN 0.350 nan 8.280 nan 0.000 0.478 226 T N 3.959 118.243 114.554 -0.449 0.000 2.823 226 T HA 0.663 5.012 4.350 -0.001 0.000 0.279 226 T C -0.787 173.844 174.700 -0.115 0.000 0.998 226 T CA -0.499 61.388 62.100 -0.355 0.000 0.994 226 T CB 0.581 69.104 68.868 -0.576 0.000 0.960 226 T HN 0.457 nan 8.240 nan 0.000 0.448 227 I N -0.103 120.391 120.570 -0.127 0.000 2.846 227 I HA 0.753 4.922 4.170 -0.001 0.000 0.307 227 I C -1.021 175.031 176.117 -0.109 0.000 1.053 227 I CA -1.244 59.972 61.300 -0.140 0.000 1.050 227 I CB 1.355 39.007 38.000 -0.580 0.000 1.239 227 I HN 0.533 nan 8.210 nan 0.000 0.439 228 I N 3.737 124.222 120.570 -0.141 0.000 2.404 228 I HA 0.418 4.588 4.170 -0.001 0.000 0.293 228 I C -0.491 175.595 176.117 -0.051 0.000 0.992 228 I CA -0.622 60.611 61.300 -0.112 0.000 1.149 228 I CB 1.400 39.244 38.000 -0.260 0.000 1.315 228 I HN 0.828 nan 8.210 nan 0.000 0.446 229 N N 5.042 123.752 118.700 0.016 0.000 2.491 229 N HA 0.391 5.131 4.740 -0.001 0.000 0.279 229 N C 0.770 176.357 175.510 0.128 0.000 1.236 229 N CA -0.501 52.616 53.050 0.113 0.000 0.982 229 N CB 0.719 39.279 38.487 0.122 0.000 1.194 229 N HN 0.574 nan 8.380 nan 0.000 0.582 230 A N -0.611 122.303 122.820 0.157 0.000 2.024 230 A HA 0.033 4.353 4.320 -0.001 0.000 0.220 230 A C 1.967 179.596 177.584 0.076 0.000 1.164 230 A CA 1.950 54.049 52.037 0.103 0.000 0.643 230 A CB -1.413 17.644 19.000 0.096 0.000 0.806 230 A HN 0.868 nan 8.150 nan 0.000 0.451 231 A N -2.006 120.863 122.820 0.081 0.000 2.206 231 A HA 0.387 4.707 4.320 -0.001 0.000 0.211 231 A C 1.901 179.523 177.584 0.063 0.000 1.158 231 A CA 1.289 53.364 52.037 0.064 0.000 0.761 231 A CB -0.829 18.207 19.000 0.061 0.000 0.801 231 A HN 1.869 nan 8.150 nan 0.000 0.473 232 G N -2.183 106.663 108.800 0.077 0.000 2.157 232 G HA2 0.081 4.040 3.960 -0.001 0.000 0.248 232 G HA3 0.081 4.040 3.960 -0.001 0.000 0.248 232 G C 0.404 175.387 174.900 0.140 0.000 0.979 232 G CA 0.331 45.487 45.100 0.094 0.000 0.650 232 G HN 1.573 nan 8.290 nan 0.000 0.529 233 A N 0.144 123.041 122.820 0.129 0.000 2.340 233 A HA 0.705 5.024 4.320 -0.001 0.000 0.268 233 A C -0.038 177.748 177.584 0.336 0.000 1.100 233 A CA -0.319 51.804 52.037 0.143 0.000 0.803 233 A CB 0.262 19.309 19.000 0.079 0.000 1.043 233 A HN 0.567 nan 8.150 nan 0.000 0.488 234 F N 1.405 121.370 119.950 0.026 0.000 2.424 234 F HA 0.341 4.867 4.527 -0.001 0.000 0.356 234 F C 0.916 176.710 175.800 -0.010 0.000 1.110 234 F CA -0.309 57.725 58.000 0.058 0.000 1.161 234 F CB 0.603 39.686 39.000 0.137 0.000 1.115 234 F HN 0.565 nan 8.300 nan 0.000 0.507 235 Q N 1.598 121.444 119.800 0.077 0.000 2.399 235 Q HA 0.809 5.148 4.340 -0.001 0.000 0.276 235 Q C -0.792 175.138 176.000 -0.117 0.000 1.098 235 Q CA -1.345 54.431 55.803 -0.044 0.000 0.827 235 Q CB 2.749 31.413 28.738 -0.124 0.000 1.386 235 Q HN 0.660 nan 8.270 nan 0.000 0.443 236 A N 1.084 123.828 122.820 -0.127 0.000 2.310 236 A HA 0.701 5.021 4.320 -0.001 0.000 0.299 236 A C -0.880 176.608 177.584 -0.160 0.000 1.147 236 A CA -0.480 51.455 52.037 -0.170 0.000 0.818 236 A CB 1.210 20.090 19.000 -0.200 0.000 1.096 236 A HN 0.407 nan 8.150 nan 0.000 0.495 237 V N 1.691 121.534 119.914 -0.119 0.000 2.969 237 V HA 0.539 4.659 4.120 -0.001 0.000 0.304 237 V C -0.328 175.820 176.094 0.090 0.000 1.192 237 V CA -0.429 61.866 62.300 -0.009 0.000 0.962 237 V CB 2.614 34.395 31.823 -0.071 0.000 1.045 237 V HN 0.987 nan 8.190 nan 0.000 0.428 238 S N 3.775 119.613 115.700 0.229 0.000 2.525 238 S HA 0.705 5.174 4.470 -0.001 0.000 0.278 238 S C -0.534 174.270 174.600 0.341 0.000 1.234 238 S CA -0.398 57.981 58.200 0.299 0.000 1.058 238 S CB 1.536 64.973 63.200 0.394 0.000 0.983 238 S HN 0.619 nan 8.310 nan 0.000 0.495 239 V N 4.566 124.647 119.914 0.278 0.000 2.555 239 V HA 0.656 4.775 4.120 -0.001 0.000 0.302 239 V C -1.035 175.303 176.094 0.406 0.000 1.038 239 V CA -0.596 61.818 62.300 0.189 0.000 0.887 239 V CB 1.070 32.868 31.823 -0.041 0.000 0.991 239 V HN 0.893 nan 8.190 nan 0.000 0.434 240 Y N 1.676 122.177 120.300 0.335 0.000 2.597 240 Y HA 0.827 5.377 4.550 -0.001 0.000 0.340 240 Y C -0.597 175.349 175.900 0.076 0.000 1.097 240 Y CA -1.124 57.140 58.100 0.274 0.000 1.037 240 Y CB 1.929 40.460 38.460 0.117 0.000 1.305 240 Y HN 0.427 nan 8.280 nan 0.000 0.463 241 S N 0.581 116.222 115.700 -0.098 0.000 2.557 241 S HA 0.395 4.865 4.470 -0.001 0.000 0.291 241 S C -1.046 173.395 174.600 -0.265 0.000 1.116 241 S CA -0.616 57.253 58.200 -0.551 0.000 0.992 241 S CB 0.994 63.303 63.200 -1.484 0.000 1.028 241 S HN 0.783 nan 8.310 nan 0.000 0.484 242 D N 2.445 122.721 120.400 -0.206 0.000 2.402 242 D HA 0.160 4.799 4.640 -0.001 0.000 0.216 242 D C -0.309 175.833 176.300 -0.263 0.000 1.128 242 D CA 0.214 54.115 54.000 -0.165 0.000 0.833 242 D CB 0.562 41.339 40.800 -0.039 0.000 0.971 242 D HN 0.724 nan 8.370 nan 0.000 0.503 243 D N -1.054 119.156 120.400 -0.317 0.000 2.895 243 D HA 0.007 4.647 4.640 -0.001 0.000 0.350 243 D C 0.088 176.289 176.300 -0.165 0.000 1.389 243 D CA -0.589 53.274 54.000 -0.229 0.000 0.812 243 D CB -0.604 40.126 40.800 -0.116 0.000 1.164 243 D HN -0.044 nan 8.370 nan 0.000 0.455 244 H N 0.168 119.179 119.070 -0.099 0.000 2.820 244 H HA -0.152 4.403 4.556 -0.001 0.000 0.295 244 H C 1.398 176.750 175.328 0.041 0.000 1.187 244 H CA 1.356 57.406 56.048 0.004 0.000 1.144 244 H CB -1.542 28.264 29.762 0.073 0.000 1.354 244 H HN 0.754 nan 8.280 nan 0.000 0.395 245 G N -0.548 108.078 108.800 -0.289 0.000 2.179 245 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.220 245 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.220 245 G C 1.072 175.880 174.900 -0.154 0.000 0.990 245 G CA 0.769 45.609 45.100 -0.434 0.000 0.646 245 G HN 0.566 nan 8.290 nan 0.000 0.517 246 R N 0.876 121.307 120.500 -0.115 0.000 2.073 246 R HA 0.096 4.436 4.340 -0.001 0.000 0.234 246 R C 1.448 177.705 176.300 -0.072 0.000 1.134 246 R CA 2.188 58.280 56.100 -0.014 0.000 0.952 246 R CB -0.169 30.128 30.300 -0.005 0.000 0.850 246 R HN 0.665 nan 8.270 nan 0.000 0.433 247 T N -3.157 111.244 114.554 -0.256 0.000 2.906 247 T HA 0.507 4.856 4.350 -0.001 0.000 0.295 247 T C -1.228 173.203 174.700 -0.449 0.000 1.061 247 T CA -0.922 61.066 62.100 -0.188 0.000 1.000 247 T CB 1.519 70.330 68.868 -0.094 0.000 1.103 247 T HN 0.219 nan 8.240 nan 0.000 0.486 248 W N 1.063 122.331 121.300 -0.053 0.000 2.844 248 W HA 0.750 5.409 4.660 -0.001 0.000 0.340 248 W C 0.065 176.491 176.519 -0.154 0.000 1.093 248 W CA -0.925 56.367 57.345 -0.088 0.000 1.212 248 W CB 2.009 31.460 29.460 -0.015 0.000 1.422 248 W HN 1.084 nan 8.180 nan 0.000 0.515 249 R N 0.978 121.445 120.500 -0.054 0.000 2.799 249 R HA 0.949 5.289 4.340 -0.001 0.000 0.270 249 R C -1.162 174.993 176.300 -0.243 0.000 1.010 249 R CA -1.200 54.792 56.100 -0.180 0.000 0.916 249 R CB 1.327 31.459 30.300 -0.280 0.000 1.228 249 R HN 0.462 nan 8.270 nan 0.000 0.469 250 A N 1.026 123.787 122.820 -0.098 0.000 2.327 250 A HA 0.645 4.965 4.320 -0.001 0.000 0.283 250 A C 0.431 178.099 177.584 0.141 0.000 1.127 250 A CA -0.026 52.040 52.037 0.049 0.000 0.810 250 A CB 0.814 19.969 19.000 0.258 0.000 1.066 250 A HN 0.873 nan 8.150 nan 0.000 0.492 251 G N 0.242 109.262 108.800 0.366 0.000 2.546 251 G HA2 0.444 4.403 3.960 -0.001 0.000 0.239 251 G HA3 0.444 4.403 3.960 -0.001 0.000 0.239 251 G C -0.191 174.869 174.900 0.267 0.000 1.476 251 G CA -0.509 44.885 45.100 0.490 0.000 1.064 251 G HN 0.785 nan 8.290 nan 0.000 0.561 252 E N -0.149 120.083 120.200 0.054 0.000 2.249 252 E HA 0.484 4.834 4.350 -0.001 0.000 0.280 252 E C 0.099 176.813 176.600 0.189 0.000 1.016 252 E CA -0.523 55.936 56.400 0.099 0.000 0.830 252 E CB 1.635 31.286 29.700 -0.082 0.000 1.081 252 E HN 0.515 nan 8.360 nan 0.000 0.395 253 A N 2.514 125.481 122.820 0.244 0.000 2.304 253 A HA 0.470 4.789 4.320 -0.001 0.000 0.271 253 A C -0.522 177.107 177.584 0.075 0.000 1.091 253 A CA -0.449 51.642 52.037 0.090 0.000 0.812 253 A CB 1.104 20.066 19.000 -0.063 0.000 1.056 253 A HN 0.389 nan 8.150 nan 0.000 0.489 254 V N 0.596 120.518 119.914 0.013 0.000 2.888 254 V HA 0.729 4.849 4.120 -0.001 0.000 0.309 254 V C 0.287 176.372 176.094 -0.014 0.000 1.114 254 V CA 0.994 63.309 62.300 0.025 0.000 0.940 254 V CB 1.462 33.316 31.823 0.052 0.000 1.021 254 V HN 2.667 nan 8.190 nan 0.000 0.426 255 G N 3.641 112.446 108.800 0.007 0.000 2.795 255 G HA2 0.237 4.197 3.960 -0.001 0.000 0.664 255 G HA3 0.237 4.197 3.960 -0.001 0.000 0.664 255 G C -0.774 174.135 174.900 0.015 0.000 1.381 255 G CA 0.100 45.203 45.100 0.004 0.000 0.853 255 G HN 2.047 nan 8.290 nan 0.000 0.545 256 V N -3.063 116.862 119.914 0.019 0.000 3.130 256 V HA 0.966 5.086 4.120 -0.001 0.000 0.310 256 V C 1.494 177.603 176.094 0.024 0.000 1.158 256 V CA 0.333 62.650 62.300 0.028 0.000 1.029 256 V CB 1.073 32.907 31.823 0.018 0.000 1.057 256 V HN 3.085 nan 8.190 nan 0.000 0.436 257 G N 1.168 109.978 108.800 0.016 0.000 2.203 257 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.263 257 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.263 257 G C 0.075 175.010 174.900 0.058 0.000 1.012 257 G CA 0.810 45.909 45.100 -0.001 0.000 0.749 257 G HN 0.769 nan 8.290 nan 0.000 0.512 258 M N -0.472 119.193 119.600 0.109 0.000 2.159 258 M HA 0.657 5.137 4.480 -0.001 0.000 0.293 258 M C 0.597 177.010 176.300 0.189 0.000 1.186 258 M CA -0.318 55.039 55.300 0.096 0.000 1.073 258 M CB 0.678 33.297 32.600 0.032 0.000 1.419 258 M HN 0.269 nan 8.290 nan 0.000 0.490 259 D N -0.952 119.490 120.400 0.070 0.000 3.435 259 D HA 0.138 4.778 4.640 -0.001 0.000 0.352 259 D C -1.263 174.952 176.300 -0.141 0.000 1.460 259 D CA -0.428 53.603 54.000 0.052 0.000 0.935 259 D CB 0.692 41.582 40.800 0.149 0.000 1.468 259 D HN 0.532 nan 8.370 nan 0.000 0.573 260 E N 1.132 121.223 120.200 -0.181 0.000 2.820 260 E HA 0.051 4.400 4.350 -0.001 0.000 0.251 260 E C 0.038 176.505 176.600 -0.222 0.000 0.944 260 E CA 0.676 56.902 56.400 -0.290 0.000 0.955 260 E CB -0.100 29.458 29.700 -0.237 0.000 0.904 260 E HN 0.239 nan 8.360 nan 0.000 0.513 261 N N 2.324 120.877 118.700 -0.244 0.000 2.357 261 N HA 0.427 5.166 4.740 -0.001 0.000 0.284 261 N C -1.045 174.372 175.510 -0.155 0.000 1.236 261 N CA -1.003 51.944 53.050 -0.172 0.000 0.774 261 N CB 1.820 40.201 38.487 -0.176 0.000 1.534 261 N HN 0.046 nan 8.380 nan 0.000 0.478 262 K N 0.560 120.907 120.400 -0.089 0.000 2.469 262 K HA 0.509 4.829 4.320 -0.001 0.000 0.254 262 K C -0.628 175.973 176.600 0.002 0.000 0.939 262 K CA -0.423 55.836 56.287 -0.046 0.000 0.812 262 K CB 2.140 34.631 32.500 -0.015 0.000 1.301 262 K HN 0.852 nan 8.250 nan 0.000 0.433 263 T N -2.346 112.227 114.554 0.032 0.000 2.932 263 T HA 0.730 5.080 4.350 -0.001 0.000 0.289 263 T C -0.459 174.303 174.700 0.103 0.000 1.039 263 T CA -0.916 61.235 62.100 0.084 0.000 1.024 263 T CB 1.796 70.735 68.868 0.118 0.000 1.090 263 T HN 0.281 nan 8.240 nan 0.000 0.496 264 V N 0.285 120.273 119.914 0.122 0.000 3.012 264 V HA 0.549 4.668 4.120 -0.001 0.000 0.307 264 V C -1.330 174.832 176.094 0.112 0.000 1.166 264 V CA -0.872 61.499 62.300 0.118 0.000 0.974 264 V CB 2.046 33.954 31.823 0.141 0.000 1.040 264 V HN 1.139 nan 8.190 nan 0.000 0.428 265 E N 5.223 125.474 120.200 0.084 0.000 2.167 265 E HA 0.467 4.816 4.350 -0.001 0.000 0.284 265 E C -0.658 176.010 176.600 0.113 0.000 1.016 265 E CA -0.484 55.959 56.400 0.072 0.000 0.817 265 E CB 1.097 30.786 29.700 -0.019 0.000 1.080 265 E HN 0.684 nan 8.360 nan 0.000 0.397 266 L N 2.528 123.839 121.223 0.147 0.000 2.479 266 L HA 0.052 4.391 4.340 -0.001 0.000 0.248 266 L C 1.925 178.946 176.870 0.251 0.000 1.205 266 L CA 0.000 54.936 54.840 0.160 0.000 0.817 266 L CB 0.711 42.842 42.059 0.119 0.000 1.162 266 L HN 0.708 nan 8.230 nan 0.000 0.486 267 S N -0.773 115.045 115.700 0.196 0.000 2.442 267 S HA -0.152 4.317 4.470 -0.001 0.000 0.236 267 S C 0.864 175.499 174.600 0.059 0.000 1.007 267 S CA 1.089 59.398 58.200 0.181 0.000 0.965 267 S CB -0.373 62.876 63.200 0.082 0.000 0.773 267 S HN 0.825 nan 8.310 nan 0.000 0.504 268 D N -0.616 119.829 120.400 0.075 0.000 2.395 268 D HA 0.319 4.958 4.640 -0.001 0.000 0.213 268 D C 1.335 177.688 176.300 0.088 0.000 1.110 268 D CA 0.437 54.444 54.000 0.012 0.000 0.835 268 D CB -0.285 40.522 40.800 0.011 0.000 0.965 268 D HN 0.539 nan 8.370 nan 0.000 0.505 269 G N 0.708 109.653 108.800 0.241 0.000 2.195 269 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.246 269 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.246 269 G C 0.368 175.359 174.900 0.151 0.000 0.984 269 G CA -0.196 45.073 45.100 0.281 0.000 0.633 269 G HN 0.408 nan 8.290 nan 0.000 0.525 270 R N -0.225 120.342 120.500 0.112 0.000 2.734 270 R HA 0.399 4.738 4.340 -0.001 0.000 0.266 270 R C -0.025 176.332 176.300 0.095 0.000 1.044 270 R CA 0.235 56.382 56.100 0.079 0.000 1.128 270 R CB 0.886 31.226 30.300 0.067 0.000 1.010 270 R HN 0.104 nan 8.270 nan 0.000 0.461 271 V N 4.526 124.489 119.914 0.082 0.000 2.384 271 V HA 0.179 4.299 4.120 -0.001 0.000 0.287 271 V C -0.546 175.670 176.094 0.204 0.000 1.020 271 V CA -0.793 61.584 62.300 0.129 0.000 0.850 271 V CB 1.428 33.317 31.823 0.110 0.000 0.987 271 V HN 0.434 nan 8.190 nan 0.000 0.436 272 L N 6.632 127.966 121.223 0.185 0.000 2.276 272 L HA 0.619 4.959 4.340 -0.001 0.000 0.286 272 L C -0.666 176.302 176.870 0.164 0.000 1.061 272 L CA 0.132 55.080 54.840 0.180 0.000 0.807 272 L CB 1.170 43.319 42.059 0.149 0.000 1.177 272 L HN 0.660 nan 8.230 nan 0.000 0.429 273 L N 6.014 127.306 121.223 0.115 0.000 2.307 273 L HA 0.565 4.905 4.340 -0.001 0.000 0.284 273 L C -0.967 175.894 176.870 -0.014 0.000 1.023 273 L CA -0.255 54.569 54.840 -0.026 0.000 0.810 273 L CB 1.049 42.911 42.059 -0.328 0.000 1.231 273 L HN 0.796 nan 8.230 nan 0.000 0.423 274 N N 3.149 121.847 118.700 -0.005 0.000 2.410 274 N HA 0.337 5.077 4.740 -0.001 0.000 0.287 274 N C -1.967 173.542 175.510 -0.001 0.000 1.044 274 N CA -0.171 52.893 53.050 0.023 0.000 0.881 274 N CB 2.161 40.707 38.487 0.099 0.000 1.405 274 N HN 0.600 nan 8.380 nan 0.000 0.490 275 S N 1.876 117.568 115.700 -0.014 0.000 2.542 275 S HA 0.444 4.914 4.470 -0.001 0.000 0.293 275 S C -0.428 174.165 174.600 -0.012 0.000 1.089 275 S CA -0.804 57.373 58.200 -0.039 0.000 0.961 275 S CB 1.522 64.686 63.200 -0.060 0.000 1.062 275 S HN 0.652 nan 8.310 nan 0.000 0.483 276 R N 1.802 122.283 120.500 -0.030 0.000 2.643 276 R HA 0.156 4.496 4.340 -0.001 0.000 0.270 276 R C -1.022 175.291 176.300 0.021 0.000 1.061 276 R CA -0.030 56.065 56.100 -0.009 0.000 1.107 276 R CB 0.364 30.644 30.300 -0.034 0.000 0.999 276 R HN 0.560 nan 8.270 nan 0.000 0.460 277 D N 1.951 122.372 120.400 0.034 0.000 2.427 277 D HA 0.065 4.705 4.640 -0.001 0.000 0.226 277 D C 0.495 176.825 176.300 0.049 0.000 1.076 277 D CA -0.373 53.652 54.000 0.042 0.000 0.849 277 D CB 1.443 42.269 40.800 0.044 0.000 1.052 277 D HN 0.572 nan 8.370 nan 0.000 0.515 278 S N 2.256 117.997 115.700 0.069 0.000 2.555 278 S HA -0.022 4.448 4.470 -0.001 0.000 0.230 278 S C 1.588 176.174 174.600 -0.022 0.000 0.978 278 S CA 0.399 58.634 58.200 0.058 0.000 0.934 278 S CB 0.095 63.364 63.200 0.115 0.000 0.766 278 S HN 0.398 nan 8.310 nan 0.000 0.533 279 A N 1.481 124.295 122.820 -0.010 0.000 2.275 279 A HA 0.378 4.697 4.320 -0.001 0.000 0.212 279 A C 0.862 178.461 177.584 0.025 0.000 1.201 279 A CA -0.386 51.647 52.037 -0.007 0.000 0.843 279 A CB -0.484 18.520 19.000 0.007 0.000 0.873 279 A HN 0.500 nan 8.150 nan 0.000 0.492 280 R N -0.457 120.055 120.500 0.021 0.000 3.336 280 R HA -0.177 4.162 4.340 -0.001 0.000 0.260 280 R C 1.112 177.428 176.300 0.027 0.000 1.032 280 R CA 0.544 56.652 56.100 0.013 0.000 0.693 280 R CB -2.804 27.495 30.300 -0.003 0.000 1.134 280 R HN 0.740 nan 8.270 nan 0.000 0.433 281 S N -0.804 114.929 115.700 0.054 0.000 2.442 281 S HA -0.005 4.464 4.470 -0.001 0.000 0.236 281 S C 1.686 176.288 174.600 0.003 0.000 1.007 281 S CA 0.844 59.106 58.200 0.104 0.000 0.965 281 S CB 0.358 63.668 63.200 0.184 0.000 0.773 281 S HN 1.182 nan 8.310 nan 0.000 0.504 282 G N -0.698 108.019 108.800 -0.139 0.000 2.159 282 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.227 282 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.227 282 G C -0.194 174.228 174.900 -0.796 0.000 0.986 282 G CA 0.148 44.982 45.100 -0.443 0.000 0.651 282 G HN 0.556 nan 8.290 nan 0.000 0.523 283 Y N -0.705 119.585 120.300 -0.016 0.000 2.615 283 Y HA 0.767 5.317 4.550 -0.001 0.000 0.341 283 Y C 0.459 176.343 175.900 -0.027 0.000 1.089 283 Y CA -1.463 56.618 58.100 -0.031 0.000 1.049 283 Y CB 0.816 39.252 38.460 -0.040 0.000 1.296 283 Y HN 0.016 nan 8.280 nan 0.000 0.470 284 R N 1.333 121.914 120.500 0.136 0.000 2.539 284 R HA 0.334 4.674 4.340 -0.001 0.000 0.275 284 R C -0.772 175.554 176.300 0.043 0.000 1.077 284 R CA -0.534 55.601 56.100 0.058 0.000 1.097 284 R CB 0.517 30.813 30.300 -0.008 0.000 1.018 284 R HN 0.649 nan 8.270 nan 0.000 0.483 285 K N 0.787 121.200 120.400 0.022 0.000 2.123 285 K HA 0.472 4.792 4.320 -0.001 0.000 0.259 285 K C -0.369 176.225 176.600 -0.011 0.000 0.960 285 K CA -0.730 55.560 56.287 0.004 0.000 0.872 285 K CB 1.772 34.273 32.500 0.001 0.000 1.079 285 K HN 0.452 nan 8.250 nan 0.000 0.440 286 V N -1.672 118.237 119.914 -0.008 0.000 2.925 286 V HA 0.968 5.087 4.120 -0.001 0.000 0.311 286 V C -1.199 174.901 176.094 0.011 0.000 1.104 286 V CA -0.726 61.575 62.300 0.002 0.000 0.954 286 V CB 1.614 33.450 31.823 0.022 0.000 1.022 286 V HN 0.909 nan 8.190 nan 0.000 0.427 287 A N 2.243 125.079 122.820 0.026 0.000 2.588 287 A HA 0.991 5.310 4.320 -0.001 0.000 0.290 287 A C -1.307 176.390 177.584 0.188 0.000 1.136 287 A CA -0.248 51.841 52.037 0.086 0.000 0.681 287 A CB 1.889 20.925 19.000 0.060 0.000 1.282 287 A HN 2.276 nan 8.150 nan 0.000 0.421 288 V N -0.113 119.962 119.914 0.269 0.000 2.888 288 V HA 0.758 4.877 4.120 -0.001 0.000 0.309 288 V C -0.596 175.601 176.094 0.171 0.000 1.114 288 V CA 0.113 62.561 62.300 0.246 0.000 0.940 288 V CB 2.125 34.023 31.823 0.126 0.000 1.021 288 V HN 1.521 nan 8.190 nan 0.000 0.426 289 S N 2.689 118.385 115.700 -0.007 0.000 2.472 289 S HA 0.573 5.042 4.470 -0.001 0.000 0.303 289 S C 0.671 175.200 174.600 -0.118 0.000 1.099 289 S CA 0.213 58.230 58.200 -0.305 0.000 1.077 289 S CB 1.607 64.359 63.200 -0.747 0.000 1.031 289 S HN 1.173 nan 8.310 nan 0.000 0.487 290 T N -0.059 114.440 114.554 -0.091 0.000 3.092 290 T HA 0.218 4.567 4.350 -0.001 0.000 0.258 290 T C 0.010 174.702 174.700 -0.014 0.000 1.031 290 T CA -0.084 61.999 62.100 -0.027 0.000 0.925 290 T CB -0.270 68.594 68.868 -0.006 0.000 1.036 290 T HN 0.634 nan 8.240 nan 0.000 0.544 291 D N 0.523 120.888 120.400 -0.058 0.000 2.804 291 D HA 0.311 4.951 4.640 -0.001 0.000 0.308 291 D C 1.201 177.459 176.300 -0.070 0.000 1.371 291 D CA -0.562 53.438 54.000 -0.001 0.000 0.823 291 D CB -0.352 40.461 40.800 0.022 0.000 1.126 291 D HN 0.317 nan 8.370 nan 0.000 0.467 292 G N -0.099 108.676 108.800 -0.042 0.000 2.249 292 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.273 292 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.273 292 G C 1.193 175.918 174.900 -0.291 0.000 1.036 292 G CA 0.527 45.560 45.100 -0.110 0.000 0.824 292 G HN 1.497 nan 8.290 nan 0.000 0.504 293 G N -1.657 106.956 108.800 -0.312 0.000 2.195 293 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.246 293 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.246 293 G C 0.826 175.565 174.900 -0.267 0.000 0.984 293 G CA 1.522 46.453 45.100 -0.281 0.000 0.633 293 G HN 1.807 nan 8.290 nan 0.000 0.525 294 H N 1.589 120.399 119.070 -0.433 0.000 2.326 294 H HA 0.320 4.876 4.556 -0.001 0.000 0.301 294 H C 1.623 176.912 175.328 -0.064 0.000 1.081 294 H CA 2.643 58.579 56.048 -0.188 0.000 1.334 294 H CB 0.032 29.680 29.762 -0.189 0.000 1.385 294 H HN 0.907 nan 8.280 nan 0.000 0.504 295 S N -1.604 113.870 115.700 -0.377 0.000 2.588 295 S HA 0.506 4.975 4.470 -0.001 0.000 0.275 295 S C -1.492 172.829 174.600 -0.465 0.000 1.130 295 S CA -0.965 57.041 58.200 -0.324 0.000 0.855 295 S CB 1.847 64.891 63.200 -0.261 0.000 1.116 295 S HN 0.213 nan 8.310 nan 0.000 0.472 296 Y N 0.029 120.311 120.300 -0.030 0.000 2.562 296 Y HA 0.707 5.257 4.550 -0.001 0.000 0.343 296 Y C 1.191 177.092 175.900 0.001 0.000 1.025 296 Y CA -0.331 57.766 58.100 -0.005 0.000 1.082 296 Y CB 1.809 40.268 38.460 -0.001 0.000 1.264 296 Y HN 1.073 nan 8.280 nan 0.000 0.478 297 G N 1.056 109.951 108.800 0.159 0.000 2.485 297 G HA2 0.399 4.358 3.960 -0.001 0.000 0.260 297 G HA3 0.399 4.358 3.960 -0.001 0.000 0.260 297 G C -2.600 172.358 174.900 0.097 0.000 1.459 297 G CA -1.101 44.057 45.100 0.096 0.000 1.060 297 G HN 0.380 nan 8.290 nan 0.000 0.546 298 P HA 0.350 nan 4.420 nan 0.000 0.276 298 P C -0.617 176.708 177.300 0.042 0.000 1.244 298 P CA -0.541 62.587 63.100 0.046 0.000 0.801 298 P CB 1.231 32.949 31.700 0.030 0.000 1.006 299 V N 2.004 121.933 119.914 0.026 0.000 2.432 299 V HA 0.391 4.510 4.120 -0.001 0.000 0.275 299 V C 0.645 176.742 176.094 0.004 0.000 1.043 299 V CA 0.014 62.321 62.300 0.011 0.000 0.925 299 V CB 0.776 32.598 31.823 -0.001 0.000 0.985 299 V HN 0.776 nan 8.190 nan 0.000 0.466 300 T N 2.600 117.155 114.554 0.001 0.000 2.926 300 T HA 0.755 5.105 4.350 -0.001 0.000 0.289 300 T C -0.517 174.174 174.700 -0.016 0.000 1.054 300 T CA -0.770 61.324 62.100 -0.010 0.000 1.015 300 T CB 1.766 70.626 68.868 -0.013 0.000 1.167 300 T HN 0.246 nan 8.240 nan 0.000 0.526 301 I N 1.844 122.396 120.570 -0.031 0.000 2.342 301 I HA 0.258 4.428 4.170 -0.001 0.000 0.291 301 I C -0.141 175.924 176.117 -0.087 0.000 1.010 301 I CA -0.355 60.925 61.300 -0.035 0.000 1.308 301 I CB 0.992 38.977 38.000 -0.026 0.000 1.400 301 I HN 0.656 nan 8.210 nan 0.000 0.488 302 D N 6.494 126.852 120.400 -0.070 0.000 2.396 302 D HA 0.186 4.825 4.640 -0.001 0.000 0.225 302 D C 0.882 177.067 176.300 -0.192 0.000 1.121 302 D CA -0.229 53.710 54.000 -0.102 0.000 0.853 302 D CB 0.813 41.573 40.800 -0.067 0.000 1.043 302 D HN 0.393 nan 8.370 nan 0.000 0.500 303 R N 2.104 122.399 120.500 -0.341 0.000 2.299 303 R HA 0.015 4.355 4.340 -0.001 0.000 0.197 303 R C 0.593 176.759 176.300 -0.223 0.000 0.971 303 R CA 0.284 56.002 56.100 -0.636 0.000 1.030 303 R CB 0.493 30.401 30.300 -0.653 0.000 0.932 303 R HN 0.374 nan 8.270 nan 0.000 0.477 304 D N 0.516 120.852 120.400 -0.106 0.000 2.312 304 D HA -0.040 4.599 4.640 -0.001 0.000 0.211 304 D C 0.270 176.513 176.300 -0.095 0.000 0.964 304 D CA 0.964 54.939 54.000 -0.042 0.000 0.877 304 D CB 0.323 41.151 40.800 0.046 0.000 0.924 304 D HN 0.194 nan 8.370 nan 0.000 0.515 305 L N 2.625 123.792 121.223 -0.094 0.000 2.435 305 L HA 0.292 4.632 4.340 -0.001 0.000 0.253 305 L C -2.407 174.517 176.870 0.089 0.000 1.087 305 L CA -1.782 52.961 54.840 -0.161 0.000 0.950 305 L CB 1.528 43.296 42.059 -0.486 0.000 1.304 305 L HN -0.301 nan 8.230 nan 0.000 0.453 306 P HA 0.036 nan 4.420 nan 0.000 0.268 306 P C -0.967 176.291 177.300 -0.070 0.000 1.205 306 P CA 0.225 63.286 63.100 -0.064 0.000 0.771 306 P CB 1.594 33.242 31.700 -0.087 0.000 0.858 307 D N 2.824 123.134 120.400 -0.149 0.000 2.803 307 D HA 0.159 4.799 4.640 -0.001 0.000 0.218 307 D C -2.493 173.745 176.300 -0.104 0.000 1.245 307 D CA -1.793 52.166 54.000 -0.068 0.000 0.821 307 D CB 2.824 43.626 40.800 0.004 0.000 1.626 307 D HN 0.086 nan 8.370 nan 0.000 0.487 308 P HA 0.163 nan 4.420 nan 0.000 0.258 308 P C -0.783 176.502 177.300 -0.025 0.000 1.416 308 P CA 0.201 63.264 63.100 -0.061 0.000 0.927 308 P CB -0.049 31.624 31.700 -0.046 0.000 1.444 309 T N -0.811 113.736 114.554 -0.012 0.000 3.316 309 T HA -0.140 4.209 4.350 -0.001 0.000 0.428 309 T C -0.449 174.282 174.700 0.051 0.000 0.768 309 T CA 0.494 62.605 62.100 0.020 0.000 2.252 309 T CB -2.150 66.733 68.868 0.025 0.000 1.703 309 T HN 0.505 nan 8.240 nan 0.000 0.702 310 N N 0.721 119.440 118.700 0.031 0.000 2.859 310 N HA 0.465 5.205 4.740 -0.001 0.000 0.250 310 N C -1.082 174.351 175.510 -0.130 0.000 1.341 310 N CA -0.722 52.361 53.050 0.055 0.000 0.881 310 N CB 1.141 39.678 38.487 0.084 0.000 1.516 310 N HN 0.184 nan 8.380 nan 0.000 0.503 311 N N 0.332 118.765 118.700 -0.444 0.000 2.381 311 N HA 0.760 5.499 4.740 -0.001 0.000 0.254 311 N C -1.098 174.188 175.510 -0.373 0.000 1.264 311 N CA 0.320 52.969 53.050 -0.669 0.000 0.942 311 N CB 0.995 38.534 38.487 -1.580 0.000 1.190 311 N HN 0.715 nan 8.380 nan 0.000 0.495 312 A N -0.571 122.055 122.820 -0.322 0.000 2.564 312 A HA 0.608 4.927 4.320 -0.001 0.000 0.291 312 A C -1.189 176.228 177.584 -0.278 0.000 1.102 312 A CA -0.473 51.367 52.037 -0.329 0.000 0.660 312 A CB 0.439 19.224 19.000 -0.358 0.000 1.283 312 A HN 0.751 nan 8.150 nan 0.000 0.430 313 S N -0.459 115.035 115.700 -0.343 0.000 2.627 313 S HA 0.855 5.324 4.470 -0.001 0.000 0.283 313 S C -1.013 173.543 174.600 -0.073 0.000 1.127 313 S CA -0.512 57.600 58.200 -0.146 0.000 0.863 313 S CB 1.635 64.796 63.200 -0.065 0.000 1.121 313 S HN 1.746 nan 8.310 nan 0.000 0.479 314 I N 1.882 122.507 120.570 0.090 0.000 2.586 314 I HA 0.625 4.794 4.170 -0.001 0.000 0.288 314 I C -1.754 174.469 176.117 0.177 0.000 1.147 314 I CA -1.121 60.316 61.300 0.229 0.000 1.047 314 I CB 1.386 39.596 38.000 0.351 0.000 1.244 314 I HN 0.961 nan 8.210 nan 0.000 0.429 315 I N 4.208 124.886 120.570 0.180 0.000 2.865 315 I HA 0.578 4.747 4.170 -0.001 0.000 0.302 315 I C -0.839 175.352 176.117 0.123 0.000 1.140 315 I CA -0.980 60.402 61.300 0.136 0.000 1.021 315 I CB 1.873 39.943 38.000 0.117 0.000 1.233 315 I HN 0.395 nan 8.210 nan 0.000 0.427 316 R N 3.234 123.799 120.500 0.107 0.000 2.484 316 R HA 0.230 4.569 4.340 -0.001 0.000 0.293 316 R C 0.901 177.224 176.300 0.038 0.000 1.023 316 R CA 0.559 56.712 56.100 0.089 0.000 1.037 316 R CB 1.197 31.559 30.300 0.104 0.000 0.951 316 R HN 0.973 nan 8.270 nan 0.000 0.418 317 A N 3.847 126.620 122.820 -0.078 0.000 2.014 317 A HA -0.041 4.279 4.320 -0.001 0.000 0.218 317 A C 0.288 177.551 177.584 -0.535 0.000 1.163 317 A CA 0.994 52.830 52.037 -0.336 0.000 0.652 317 A CB 0.090 18.725 19.000 -0.608 0.000 0.808 317 A HN 0.535 nan 8.150 nan 0.000 0.449 318 F N -0.755 119.305 119.950 0.183 0.000 2.564 318 F HA 0.356 4.883 4.527 -0.001 0.000 0.361 318 F C -2.036 173.835 175.800 0.119 0.000 1.161 318 F CA -2.375 55.713 58.000 0.147 0.000 1.198 318 F CB 1.481 40.558 39.000 0.127 0.000 1.424 318 F HN 0.008 nan 8.300 nan 0.000 0.517 319 P HA -0.030 nan 4.420 nan 0.000 0.233 319 P C 0.476 177.849 177.300 0.121 0.000 1.167 319 P CA 1.035 64.213 63.100 0.131 0.000 0.770 319 P CB 0.432 32.188 31.700 0.092 0.000 0.837 320 D N -0.396 120.100 120.400 0.159 0.000 2.339 320 D HA 0.130 4.769 4.640 -0.001 0.000 0.217 320 D C 0.936 177.336 176.300 0.167 0.000 1.050 320 D CA 0.054 54.135 54.000 0.136 0.000 0.856 320 D CB -0.087 40.780 40.800 0.111 0.000 0.922 320 D HN 0.083 nan 8.370 nan 0.000 0.518 321 A N 2.701 125.648 122.820 0.212 0.000 2.498 321 A HA 0.313 4.632 4.320 -0.001 0.000 0.239 321 A C -2.009 175.715 177.584 0.234 0.000 1.068 321 A CA -0.767 51.384 52.037 0.190 0.000 0.766 321 A CB -0.064 19.056 19.000 0.199 0.000 1.003 321 A HN -0.050 nan 8.150 nan 0.000 0.497 322 P HA 0.314 nan 4.420 nan 0.000 0.272 322 P C -0.062 177.236 177.300 -0.002 0.000 1.223 322 P CA 0.006 63.170 63.100 0.108 0.000 0.784 322 P CB 0.597 32.317 31.700 0.034 0.000 0.923 323 A N 1.509 124.142 122.820 -0.312 0.000 2.561 323 A HA 0.373 4.692 4.320 -0.001 0.000 0.234 323 A C 1.572 178.988 177.584 -0.281 0.000 1.055 323 A CA 0.805 52.424 52.037 -0.697 0.000 0.756 323 A CB -1.531 16.866 19.000 -1.005 0.000 0.986 323 A HN 0.925 nan 8.150 nan 0.000 0.505 324 G N 1.233 109.914 108.800 -0.199 0.000 2.189 324 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.267 324 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.267 324 G C 0.676 175.550 174.900 -0.045 0.000 0.975 324 G CA 1.263 46.306 45.100 -0.095 0.000 0.644 324 G HN 2.189 nan 8.290 nan 0.000 0.537 325 S N -0.408 115.278 115.700 -0.024 0.000 2.624 325 S HA 0.754 5.223 4.470 -0.001 0.000 0.263 325 S C 1.745 176.355 174.600 0.016 0.000 1.287 325 S CA 0.413 58.611 58.200 -0.004 0.000 0.990 325 S CB 1.713 64.915 63.200 0.004 0.000 0.950 325 S HN 1.601 nan 8.310 nan 0.000 0.561 326 A N 1.210 124.033 122.820 0.005 0.000 1.898 326 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 326 A C 2.338 179.951 177.584 0.050 0.000 1.181 326 A CA 1.179 53.225 52.037 0.016 0.000 0.620 326 A CB -0.736 18.263 19.000 -0.002 0.000 0.819 326 A HN 0.891 nan 8.150 nan 0.000 0.442 327 R N -0.460 120.055 120.500 0.024 0.000 2.120 327 R HA -0.028 4.311 4.340 -0.001 0.000 0.234 327 R C 2.233 178.692 176.300 0.266 0.000 1.123 327 R CA 1.014 57.160 56.100 0.076 0.000 0.975 327 R CB -0.398 29.768 30.300 -0.224 0.000 0.866 327 R HN 0.496 nan 8.270 nan 0.000 0.446 328 A N 1.064 123.998 122.820 0.191 0.000 2.121 328 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 328 A C 1.506 179.201 177.584 0.186 0.000 1.154 328 A CA 1.116 53.290 52.037 0.228 0.000 0.679 328 A CB -0.092 19.047 19.000 0.231 0.000 0.795 328 A HN 0.193 nan 8.150 nan 0.000 0.458 329 K N -0.439 120.044 120.400 0.138 0.000 2.404 329 K HA 0.179 4.498 4.320 -0.001 0.000 0.194 329 K C -0.440 176.197 176.600 0.062 0.000 1.023 329 K CA -0.050 56.283 56.287 0.078 0.000 1.094 329 K CB 0.497 33.020 32.500 0.039 0.000 0.841 329 K HN 0.257 nan 8.250 nan 0.000 0.523 330 V N 3.274 123.272 119.914 0.140 0.000 2.408 330 V HA 0.193 4.312 4.120 -0.001 0.000 0.267 330 V C -0.073 176.059 176.094 0.064 0.000 1.047 330 V CA -0.225 62.146 62.300 0.120 0.000 0.937 330 V CB 0.473 32.462 31.823 0.276 0.000 0.999 330 V HN 0.130 nan 8.190 nan 0.000 0.472 331 L N 6.035 127.264 121.223 0.011 0.000 2.342 331 L HA 0.671 5.011 4.340 -0.001 0.000 0.271 331 L C -0.573 176.414 176.870 0.194 0.000 1.008 331 L CA -0.646 54.252 54.840 0.096 0.000 0.818 331 L CB 1.983 44.122 42.059 0.133 0.000 1.296 331 L HN 0.401 nan 8.230 nan 0.000 0.427 332 L N 1.904 123.261 121.223 0.224 0.000 2.334 332 L HA 0.578 4.917 4.340 -0.001 0.000 0.276 332 L C -1.067 176.030 176.870 0.378 0.000 1.014 332 L CA -0.431 54.569 54.840 0.267 0.000 0.815 332 L CB 2.063 44.148 42.059 0.044 0.000 1.268 332 L HN 0.370 nan 8.230 nan 0.000 0.428 333 F N 1.712 121.756 119.950 0.156 0.000 2.565 333 F HA 0.676 5.202 4.527 -0.001 0.000 0.313 333 F C -0.518 175.280 175.800 -0.004 0.000 1.091 333 F CA -0.411 57.578 58.000 -0.018 0.000 0.915 333 F CB 2.120 40.887 39.000 -0.389 0.000 1.208 333 F HN 0.444 nan 8.300 nan 0.000 0.453 334 S N 5.686 120.990 115.700 -0.659 0.000 2.538 334 S HA 0.841 5.310 4.470 -0.001 0.000 0.288 334 S C -1.392 172.809 174.600 -0.666 0.000 1.108 334 S CA -0.577 57.385 58.200 -0.397 0.000 0.971 334 S CB 2.106 65.222 63.200 -0.140 0.000 1.041 334 S HN 1.071 nan 8.310 nan 0.000 0.483 335 N N 0.485 118.986 118.700 -0.331 0.000 3.356 335 N HA 0.364 5.103 4.740 -0.001 0.000 0.246 335 N C -1.634 173.805 175.510 -0.119 0.000 1.480 335 N CA -0.577 52.318 53.050 -0.259 0.000 0.877 335 N CB 1.024 39.306 38.487 -0.342 0.000 1.431 335 N HN 0.976 nan 8.380 nan 0.000 0.500 336 A N -0.002 122.766 122.820 -0.088 0.000 2.350 336 A HA 0.668 4.987 4.320 -0.001 0.000 0.293 336 A C 0.412 177.951 177.584 -0.075 0.000 1.231 336 A CA -0.038 51.940 52.037 -0.099 0.000 0.883 336 A CB -0.798 18.166 19.000 -0.060 0.000 1.133 336 A HN 0.928 nan 8.150 nan 0.000 0.533 337 A N 3.229 125.994 122.820 -0.093 0.000 3.015 337 A HA 0.581 4.900 4.320 -0.001 0.000 0.293 337 A C 0.380 177.916 177.584 -0.081 0.000 1.572 337 A CA 0.359 52.360 52.037 -0.061 0.000 1.274 337 A CB -0.650 18.314 19.000 -0.060 0.000 1.156 337 A HN 1.754 nan 8.150 nan 0.000 0.562 338 S N 0.863 116.509 115.700 -0.089 0.000 2.602 338 S HA 0.188 4.657 4.470 -0.001 0.000 0.301 338 S C 0.148 174.674 174.600 -0.122 0.000 1.091 338 S CA -0.484 57.655 58.200 -0.102 0.000 0.895 338 S CB 0.686 63.831 63.200 -0.092 0.000 1.090 338 S HN 0.567 nan 8.310 nan 0.000 0.449 339 Q N 2.168 121.878 119.800 -0.150 0.000 2.389 339 Q HA 0.033 4.373 4.340 -0.001 0.000 0.204 339 Q C 1.545 177.465 176.000 -0.133 0.000 0.944 339 Q CA 1.410 57.098 55.803 -0.193 0.000 0.908 339 Q CB 0.113 28.701 28.738 -0.251 0.000 1.002 339 Q HN 0.921 nan 8.270 nan 0.000 0.493 340 T N -3.522 110.970 114.554 -0.102 0.000 3.056 340 T HA 0.138 4.488 4.350 -0.001 0.000 0.243 340 T C 1.047 175.710 174.700 -0.061 0.000 0.995 340 T CA -0.168 61.884 62.100 -0.079 0.000 1.091 340 T CB 0.459 69.282 68.868 -0.074 0.000 0.990 340 T HN -0.089 nan 8.240 nan 0.000 0.464 341 S N 0.343 116.007 115.700 -0.060 0.000 2.532 341 S HA 0.547 5.017 4.470 -0.001 0.000 0.301 341 S C -0.493 174.081 174.600 -0.043 0.000 1.083 341 S CA -0.888 57.284 58.200 -0.047 0.000 1.025 341 S CB 1.167 64.338 63.200 -0.048 0.000 1.056 341 S HN 0.308 nan 8.310 nan 0.000 0.494 342 R N 2.578 123.063 120.500 -0.025 0.000 3.688 342 R HA 0.240 4.579 4.340 -0.001 0.000 0.194 342 R C -0.118 176.164 176.300 -0.030 0.000 1.677 342 R CA -0.116 55.977 56.100 -0.011 0.000 1.351 342 R CB -0.400 29.913 30.300 0.023 0.000 1.338 342 R HN 0.623 nan 8.270 nan 0.000 0.731 343 S N -0.672 114.990 115.700 -0.064 0.000 2.688 343 S HA 0.215 4.685 4.470 -0.001 0.000 0.275 343 S C -0.429 174.084 174.600 -0.146 0.000 1.175 343 S CA -1.073 57.072 58.200 -0.093 0.000 0.818 343 S CB 1.611 64.766 63.200 -0.074 0.000 1.157 343 S HN 0.347 nan 8.310 nan 0.000 0.482 344 Q N -0.237 119.450 119.800 -0.188 0.000 2.464 344 Q HA -0.090 4.249 4.340 -0.001 0.000 0.304 344 Q C 0.182 175.974 176.000 -0.348 0.000 1.401 344 Q CA 0.841 56.504 55.803 -0.232 0.000 0.806 344 Q CB -1.867 26.777 28.738 -0.157 0.000 1.134 344 Q HN 1.487 nan 8.270 nan 0.000 0.411 345 G N 1.475 109.929 108.800 -0.577 0.000 2.305 345 G HA2 0.390 4.349 3.960 -0.001 0.000 0.243 345 G HA3 0.390 4.349 3.960 -0.001 0.000 0.243 345 G C -0.322 173.967 174.900 -1.019 0.000 1.288 345 G CA 0.659 45.179 45.100 -0.966 0.000 0.901 345 G HN 0.280 nan 8.290 nan 0.000 0.516 346 T N 2.748 117.049 114.554 -0.422 0.000 2.893 346 T HA 0.428 4.777 4.350 -0.001 0.000 0.293 346 T C -0.353 174.457 174.700 0.184 0.000 1.027 346 T CA -0.506 61.546 62.100 -0.080 0.000 0.988 346 T CB 1.552 70.378 68.868 -0.070 0.000 1.043 346 T HN 0.251 nan 8.240 nan 0.000 0.461 347 I N 2.988 123.695 120.570 0.229 0.000 2.359 347 I HA 0.473 4.642 4.170 -0.001 0.000 0.294 347 I C 0.509 176.713 176.117 0.146 0.000 0.987 347 I CA -0.677 60.717 61.300 0.157 0.000 1.225 347 I CB 1.396 39.411 38.000 0.025 0.000 1.366 347 I HN 0.479 nan 8.210 nan 0.000 0.466 348 R N 5.607 126.239 120.500 0.220 0.000 2.778 348 R HA 0.716 5.055 4.340 -0.001 0.000 0.277 348 R C -0.635 175.935 176.300 0.449 0.000 0.977 348 R CA -0.847 55.429 56.100 0.293 0.000 0.950 348 R CB 2.859 33.294 30.300 0.225 0.000 1.165 348 R HN 0.558 nan 8.270 nan 0.000 0.474 349 M N 1.085 120.945 119.600 0.434 0.000 2.395 349 M HA 0.352 4.832 4.480 -0.001 0.000 0.307 349 M C -1.240 175.171 176.300 0.186 0.000 1.091 349 M CA -0.366 55.144 55.300 0.350 0.000 0.919 349 M CB 2.272 34.978 32.600 0.178 0.000 1.662 349 M HN 0.560 nan 8.290 nan 0.000 0.440 350 S N 2.629 118.213 115.700 -0.193 0.000 2.482 350 S HA 0.534 5.003 4.470 -0.001 0.000 0.303 350 S C -0.263 174.177 174.600 -0.267 0.000 1.091 350 S CA -0.757 57.099 58.200 -0.574 0.000 1.057 350 S CB 1.147 63.456 63.200 -1.485 0.000 1.031 350 S HN 0.931 nan 8.310 nan 0.000 0.485 351 c N 2.875 121.366 118.600 -0.181 0.000 2.881 351 c HA 0.394 4.963 4.570 -0.001 0.000 0.290 351 c C 0.331 174.374 174.090 -0.079 0.000 1.362 351 c CA -0.561 55.727 56.329 -0.068 0.000 1.757 351 c CB -1.722 40.785 42.510 -0.006 0.000 2.265 351 c HN 0.901 nan 8.230 nan 0.000 0.600 352 D N -1.534 118.772 120.400 -0.157 0.000 2.940 352 D HA 0.121 4.760 4.640 -0.001 0.000 0.366 352 D C -0.171 176.050 176.300 -0.131 0.000 1.446 352 D CA -0.249 53.680 54.000 -0.119 0.000 0.780 352 D CB -0.700 40.034 40.800 -0.110 0.000 1.206 352 D HN -0.013 nan 8.370 nan 0.000 0.454 353 D N 0.264 120.594 120.400 -0.117 0.000 2.870 353 D HA -0.125 4.514 4.640 -0.001 0.000 0.228 353 D C 1.319 177.550 176.300 -0.115 0.000 1.147 353 D CA 1.754 55.712 54.000 -0.070 0.000 0.757 353 D CB -1.380 39.413 40.800 -0.012 0.000 1.091 353 D HN 0.808 nan 8.370 nan 0.000 0.429 354 G N -0.626 107.983 108.800 -0.319 0.000 2.157 354 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.248 354 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.248 354 G C 0.983 175.730 174.900 -0.254 0.000 0.979 354 G CA 0.785 45.660 45.100 -0.375 0.000 0.650 354 G HN 0.494 nan 8.290 nan 0.000 0.529 355 Q N -0.183 119.474 119.800 -0.238 0.000 2.119 355 Q HA 0.112 4.451 4.340 -0.001 0.000 0.201 355 Q C 1.558 177.466 176.000 -0.154 0.000 0.972 355 Q CA 1.584 57.307 55.803 -0.132 0.000 0.847 355 Q CB 0.048 28.729 28.738 -0.095 0.000 0.903 355 Q HN 0.836 nan 8.270 nan 0.000 0.433 356 T N -3.918 110.449 114.554 -0.311 0.000 2.906 356 T HA 0.500 4.850 4.350 -0.001 0.000 0.295 356 T C -1.624 172.769 174.700 -0.512 0.000 1.075 356 T CA -0.869 61.094 62.100 -0.228 0.000 1.005 356 T CB 1.141 69.940 68.868 -0.115 0.000 1.136 356 T HN 0.240 nan 8.240 nan 0.000 0.498 357 W N 2.050 123.333 121.300 -0.030 0.000 2.036 357 W HA 0.372 5.031 4.660 -0.001 0.000 0.294 357 W C -1.953 174.562 176.519 -0.006 0.000 0.948 357 W CA -1.776 55.557 57.345 -0.020 0.000 1.774 357 W CB 1.517 30.944 29.460 -0.054 0.000 1.950 357 W HN 0.611 nan 8.180 nan 0.000 0.384 358 P HA -0.036 nan 4.420 nan 0.000 0.221 358 P C 0.314 177.693 177.300 0.132 0.000 1.150 358 P CA 1.106 64.273 63.100 0.112 0.000 0.800 358 P CB 1.055 32.813 31.700 0.097 0.000 0.787 359 V N 0.791 120.792 119.914 0.145 0.000 2.513 359 V HA 0.470 4.590 4.120 -0.001 0.000 0.299 359 V C 0.193 176.360 176.094 0.121 0.000 1.035 359 V CA -0.296 62.072 62.300 0.113 0.000 0.889 359 V CB 1.643 33.525 31.823 0.098 0.000 0.988 359 V HN 0.267 nan 8.190 nan 0.000 0.440 360 S N 3.988 119.718 115.700 0.049 0.000 2.550 360 S HA 0.846 5.316 4.470 -0.001 0.000 0.270 360 S C -1.208 173.347 174.600 -0.075 0.000 1.145 360 S CA -0.942 57.273 58.200 0.025 0.000 0.852 360 S CB 2.374 65.598 63.200 0.039 0.000 1.119 360 S HN 0.732 nan 8.310 nan 0.000 0.465 361 K N 1.303 121.639 120.400 -0.107 0.000 2.543 361 K HA 0.568 4.888 4.320 -0.001 0.000 0.255 361 K C -1.694 174.847 176.600 -0.099 0.000 0.934 361 K CA -0.755 55.394 56.287 -0.231 0.000 0.810 361 K CB 2.181 34.314 32.500 -0.612 0.000 1.315 361 K HN 0.622 nan 8.250 nan 0.000 0.433 362 V N 6.008 125.856 119.914 -0.110 0.000 2.555 362 V HA 0.117 4.236 4.120 -0.001 0.000 0.286 362 V C 0.731 176.848 176.094 0.038 0.000 1.044 362 V CA 0.133 62.370 62.300 -0.105 0.000 1.026 362 V CB 0.367 32.102 31.823 -0.147 0.000 0.981 362 V HN 0.796 nan 8.190 nan 0.000 0.480 363 F N 2.154 122.086 119.950 -0.030 0.000 2.622 363 F HA 0.430 4.957 4.527 -0.001 0.000 0.288 363 F C 0.808 176.475 175.800 -0.221 0.000 1.120 363 F CA -0.107 57.801 58.000 -0.154 0.000 1.423 363 F CB 0.284 39.161 39.000 -0.205 0.000 1.127 363 F HN 0.457 nan 8.300 nan 0.000 0.588 364 Q N 1.971 121.384 119.800 -0.644 0.000 2.589 364 Q HA 0.388 4.727 4.340 -0.001 0.000 0.245 364 Q C -2.350 173.443 176.000 -0.346 0.000 0.931 364 Q CA -2.669 52.891 55.803 -0.404 0.000 0.730 364 Q CB 1.585 30.037 28.738 -0.477 0.000 1.315 364 Q HN -0.090 nan 8.270 nan 0.000 0.469 365 P HA -0.060 nan 4.420 nan 0.000 0.218 365 P C 0.472 177.701 177.300 -0.118 0.000 1.148 365 P CA 1.223 64.236 63.100 -0.146 0.000 0.822 365 P CB 0.367 32.013 31.700 -0.091 0.000 0.784 366 G N -0.458 108.291 108.800 -0.085 0.000 2.630 366 G HA2 0.239 4.199 3.960 -0.001 0.000 0.223 366 G HA3 0.239 4.199 3.960 -0.001 0.000 0.223 366 G C -0.502 174.370 174.900 -0.047 0.000 1.434 366 G CA -0.201 44.869 45.100 -0.049 0.000 1.057 366 G HN 0.164 nan 8.290 nan 0.000 0.570 367 S N -0.319 115.375 115.700 -0.010 0.000 2.552 367 S HA 0.388 4.858 4.470 -0.001 0.000 0.289 367 S C -0.075 174.555 174.600 0.051 0.000 1.304 367 S CA 0.289 58.493 58.200 0.008 0.000 1.063 367 S CB 0.021 63.230 63.200 0.014 0.000 0.848 367 S HN 0.494 nan 8.310 nan 0.000 0.499 368 M N 4.735 124.363 119.600 0.047 0.000 2.387 368 M HA 0.242 4.721 4.480 -0.001 0.000 0.215 368 M C -0.594 175.770 176.300 0.106 0.000 0.973 368 M CA -0.188 55.175 55.300 0.106 0.000 0.924 368 M CB 0.810 33.362 32.600 -0.080 0.000 2.471 368 M HN 0.729 nan 8.290 nan 0.000 0.445 369 S N 3.210 119.015 115.700 0.174 0.000 2.790 369 S HA 0.559 5.029 4.470 -0.001 0.000 0.162 369 S C -0.057 174.771 174.600 0.380 0.000 0.792 369 S CA -0.036 58.288 58.200 0.207 0.000 1.089 369 S CB 0.183 63.436 63.200 0.088 0.000 0.666 369 S HN 0.580 nan 8.310 nan 0.000 0.521 370 F N 2.854 122.851 119.950 0.077 0.000 2.382 370 F HA 0.565 5.091 4.527 -0.001 0.000 0.331 370 F C 0.882 176.758 175.800 0.126 0.000 1.121 370 F CA -1.377 56.663 58.000 0.067 0.000 1.183 370 F CB 0.481 39.511 39.000 0.050 0.000 1.207 370 F HN 0.300 nan 8.300 nan 0.000 0.555 371 S N -0.076 115.765 115.700 0.234 0.000 2.537 371 S HA 0.662 5.132 4.470 -0.001 0.000 0.270 371 S C -0.879 173.774 174.600 0.089 0.000 1.142 371 S CA -0.789 57.535 58.200 0.206 0.000 0.870 371 S CB 2.037 65.352 63.200 0.192 0.000 1.112 371 S HN 0.662 nan 8.310 nan 0.000 0.466 372 T N 2.129 116.746 114.554 0.105 0.000 2.971 372 T HA 0.583 4.932 4.350 -0.001 0.000 0.304 372 T C -1.202 173.554 174.700 0.095 0.000 1.038 372 T CA -0.593 61.556 62.100 0.080 0.000 1.007 372 T CB 0.618 69.555 68.868 0.114 0.000 1.055 372 T HN 0.671 nan 8.240 nan 0.000 0.451 373 L N 2.923 124.195 121.223 0.081 0.000 2.360 373 L HA 0.768 5.107 4.340 -0.001 0.000 0.271 373 L C 0.466 177.418 176.870 0.137 0.000 1.057 373 L CA -0.634 54.273 54.840 0.111 0.000 0.803 373 L CB 1.969 44.093 42.059 0.107 0.000 1.207 373 L HN 0.569 nan 8.230 nan 0.000 0.445 374 T N 1.016 115.661 114.554 0.152 0.000 2.956 374 T HA 0.617 4.967 4.350 -0.001 0.000 0.312 374 T C -0.949 173.838 174.700 0.146 0.000 1.151 374 T CA -0.481 61.707 62.100 0.147 0.000 1.024 374 T CB 1.520 70.470 68.868 0.136 0.000 1.140 374 T HN 0.652 nan 8.240 nan 0.000 0.473 375 A N 4.556 127.455 122.820 0.132 0.000 2.409 375 A HA 0.653 4.972 4.320 -0.001 0.000 0.267 375 A C -0.095 177.439 177.584 -0.083 0.000 1.127 375 A CA -0.230 51.823 52.037 0.026 0.000 0.795 375 A CB -0.168 18.877 19.000 0.074 0.000 1.061 375 A HN 0.795 nan 8.150 nan 0.000 0.502 376 L N 3.858 124.949 121.223 -0.219 0.000 2.360 376 L HA 0.292 4.631 4.340 -0.001 0.000 0.271 376 L C -1.312 175.471 176.870 -0.144 0.000 1.057 376 L CA -1.938 52.809 54.840 -0.154 0.000 0.803 376 L CB 1.313 43.272 42.059 -0.168 0.000 1.207 376 L HN 0.496 nan 8.230 nan 0.000 0.445 377 P HA -0.215 nan 4.420 nan 0.000 0.217 377 P C 0.715 177.969 177.300 -0.077 0.000 1.151 377 P CA 1.263 64.320 63.100 -0.071 0.000 0.849 377 P CB -0.006 31.657 31.700 -0.063 0.000 0.787 378 D N -1.834 118.508 120.400 -0.098 0.000 2.378 378 D HA 0.022 4.661 4.640 -0.001 0.000 0.227 378 D C 1.426 177.667 176.300 -0.099 0.000 1.012 378 D CA 0.891 54.841 54.000 -0.084 0.000 0.905 378 D CB -0.974 39.780 40.800 -0.076 0.000 0.895 378 D HN 0.288 nan 8.370 nan 0.000 0.532 379 G N -0.251 108.456 108.800 -0.155 0.000 2.199 379 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.254 379 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.254 379 G C 0.581 175.241 174.900 -0.400 0.000 0.982 379 G CA 0.718 45.708 45.100 -0.183 0.000 0.632 379 G HN 0.818 nan 8.290 nan 0.000 0.529 380 T N -1.937 112.356 114.554 -0.434 0.000 2.814 380 T HA 0.686 5.035 4.350 -0.001 0.000 0.284 380 T C -0.208 173.892 174.700 -1.000 0.000 0.998 380 T CA -0.472 61.288 62.100 -0.568 0.000 0.935 380 T CB 1.607 70.312 68.868 -0.271 0.000 1.167 380 T HN 0.473 nan 8.240 nan 0.000 0.545 381 Y N -1.083 118.929 120.300 -0.479 0.000 2.391 381 Y HA 0.615 5.165 4.550 -0.001 0.000 0.341 381 Y C 0.700 176.282 175.900 -0.531 0.000 0.965 381 Y CA -0.987 56.748 58.100 -0.609 0.000 1.067 381 Y CB 2.067 39.886 38.460 -1.069 0.000 1.199 381 Y HN 1.093 nan 8.280 nan 0.000 0.450 382 G N 2.267 111.013 108.800 -0.090 0.000 2.367 382 G HA2 0.564 4.523 3.960 -0.001 0.000 0.314 382 G HA3 0.564 4.523 3.960 -0.001 0.000 0.314 382 G C -1.832 173.095 174.900 0.044 0.000 1.130 382 G CA -0.518 44.620 45.100 0.063 0.000 0.864 382 G HN 0.511 nan 8.290 nan 0.000 0.486 383 L N 2.296 123.483 121.223 -0.061 0.000 2.541 383 L HA 0.605 4.945 4.340 -0.001 0.000 0.266 383 L C -1.571 175.338 176.870 0.065 0.000 0.966 383 L CA -0.802 54.033 54.840 -0.008 0.000 0.871 383 L CB 1.843 43.836 42.059 -0.112 0.000 1.232 383 L HN 0.427 nan 8.230 nan 0.000 0.408 384 L N 6.578 127.907 121.223 0.178 0.000 2.313 384 L HA 0.763 5.102 4.340 -0.001 0.000 0.283 384 L C -1.087 175.921 176.870 0.229 0.000 1.013 384 L CA -0.186 54.766 54.840 0.187 0.000 0.816 384 L CB 1.224 43.401 42.059 0.197 0.000 1.236 384 L HN 0.683 nan 8.230 nan 0.000 0.419 385 Y N 1.304 121.620 120.300 0.028 0.000 2.705 385 Y HA 0.653 5.203 4.550 -0.001 0.000 0.332 385 Y C -1.336 174.596 175.900 0.054 0.000 1.221 385 Y CA -1.184 56.964 58.100 0.080 0.000 1.059 385 Y CB 1.175 39.724 38.460 0.148 0.000 1.298 385 Y HN 0.554 nan 8.280 nan 0.000 0.459 386 E N 3.166 123.510 120.200 0.241 0.000 2.073 386 E HA 0.241 4.590 4.350 -0.001 0.000 0.269 386 E C -2.264 174.426 176.600 0.149 0.000 0.917 386 E CA -2.115 54.322 56.400 0.061 0.000 0.757 386 E CB 1.612 31.339 29.700 0.046 0.000 1.111 386 E HN 0.481 nan 8.360 nan 0.000 0.410 387 P HA 0.017 nan 4.420 nan 0.000 0.249 387 P C 0.865 178.187 177.300 0.036 0.000 1.229 387 P CA 0.698 63.853 63.100 0.092 0.000 0.788 387 P CB 0.663 32.355 31.700 -0.014 0.000 1.072 388 G N -0.221 108.576 108.800 -0.005 0.000 2.284 388 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.216 388 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.216 388 G C 0.934 175.818 174.900 -0.027 0.000 1.009 388 G CA 0.515 45.606 45.100 -0.015 0.000 0.625 388 G HN 0.436 nan 8.290 nan 0.000 0.501 389 T N -1.234 113.296 114.554 -0.040 0.000 3.069 389 T HA 0.585 4.934 4.350 -0.001 0.000 0.252 389 T C 1.616 176.288 174.700 -0.046 0.000 1.053 389 T CA 1.487 63.566 62.100 -0.036 0.000 0.964 389 T CB 1.030 69.874 68.868 -0.040 0.000 1.005 389 T HN 2.230 nan 8.240 nan 0.000 0.532 390 G N 1.497 110.249 108.800 -0.080 0.000 2.174 390 G HA2 0.194 4.154 3.960 -0.001 0.000 0.070 390 G HA3 0.194 4.154 3.960 -0.001 0.000 0.070 390 G C -1.835 172.926 174.900 -0.231 0.000 1.120 390 G CA -0.547 44.487 45.100 -0.110 0.000 1.194 390 G HN 0.296 nan 8.290 nan 0.000 0.435 391 I N 1.373 121.707 120.570 -0.393 0.000 2.466 391 I HA 0.631 4.801 4.170 -0.001 0.000 0.289 391 I C 0.052 175.885 176.117 -0.474 0.000 1.026 391 I CA -0.479 60.538 61.300 -0.470 0.000 1.078 391 I CB 1.598 39.147 38.000 -0.753 0.000 1.249 391 I HN 0.676 nan 8.210 nan 0.000 0.429 392 R N 4.937 125.144 120.500 -0.488 0.000 2.686 392 R HA 0.464 4.804 4.340 -0.001 0.000 0.286 392 R C -1.854 174.235 176.300 -0.351 0.000 0.969 392 R CA -0.638 55.172 56.100 -0.483 0.000 0.898 392 R CB 2.312 32.198 30.300 -0.691 0.000 1.183 392 R HN 0.521 nan 8.270 nan 0.000 0.456 393 Y N 2.753 122.850 120.300 -0.338 0.000 2.335 393 Y HA 0.660 5.210 4.550 -0.001 0.000 0.338 393 Y C -1.329 174.517 175.900 -0.090 0.000 0.977 393 Y CA -0.565 57.415 58.100 -0.201 0.000 1.114 393 Y CB 1.651 39.939 38.460 -0.286 0.000 1.182 393 Y HN 0.737 nan 8.280 nan 0.000 0.463 394 A N 5.050 127.394 122.820 -0.793 0.000 2.356 394 A HA 0.639 4.958 4.320 -0.001 0.000 0.323 394 A C -1.414 175.532 177.584 -1.065 0.000 1.119 394 A CA -0.867 50.699 52.037 -0.785 0.000 0.790 394 A CB 1.135 19.875 19.000 -0.433 0.000 1.273 394 A HN 0.777 nan 8.150 nan 0.000 0.452 395 N N 0.077 118.284 118.700 -0.822 0.000 2.296 395 N HA 0.726 5.465 4.740 -0.001 0.000 0.294 395 N C -1.214 174.024 175.510 -0.454 0.000 1.033 395 N CA -0.528 52.200 53.050 -0.537 0.000 0.839 395 N CB 1.106 39.422 38.487 -0.285 0.000 1.395 395 N HN 0.571 nan 8.380 nan 0.000 0.479 396 F N 0.880 120.630 119.950 -0.333 0.000 2.629 396 F HA 0.689 5.215 4.527 -0.001 0.000 0.316 396 F C -0.690 175.173 175.800 0.105 0.000 1.081 396 F CA -1.128 56.754 58.000 -0.196 0.000 0.954 396 F CB 1.023 39.853 39.000 -0.283 0.000 1.337 396 F HN 0.407 nan 8.300 nan 0.000 0.474 397 N N 1.223 120.166 118.700 0.405 0.000 2.457 397 N HA 0.376 5.116 4.740 -0.001 0.000 0.290 397 N C -0.040 175.853 175.510 0.637 0.000 1.232 397 N CA -1.022 52.264 53.050 0.393 0.000 0.852 397 N CB 1.277 39.904 38.487 0.234 0.000 1.313 397 N HN 0.872 nan 8.380 nan 0.000 0.522 398 L N -0.219 121.309 121.223 0.509 0.000 2.201 398 L HA -0.071 4.268 4.340 -0.001 0.000 0.212 398 L C 2.350 179.427 176.870 0.346 0.000 1.105 398 L CA 1.479 56.582 54.840 0.438 0.000 0.775 398 L CB -0.685 41.592 42.059 0.363 0.000 0.913 398 L HN 0.780 nan 8.230 nan 0.000 0.440 399 A N -0.047 122.963 122.820 0.317 0.000 1.908 399 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 399 A C 2.009 179.754 177.584 0.269 0.000 1.181 399 A CA 1.847 54.033 52.037 0.249 0.000 0.627 399 A CB -1.103 18.026 19.000 0.214 0.000 0.818 399 A HN 0.667 nan 8.150 nan 0.000 0.445 400 W N 0.162 121.581 121.300 0.198 0.000 2.363 400 W HA -0.139 4.520 4.660 -0.001 0.000 0.296 400 W C 1.566 178.163 176.519 0.131 0.000 1.212 400 W CA 1.615 59.070 57.345 0.183 0.000 1.260 400 W CB -0.315 29.310 29.460 0.275 0.000 1.131 400 W HN 0.270 nan 8.180 nan 0.000 0.530 401 L N 1.678 122.949 121.223 0.080 0.000 2.083 401 L HA 0.117 4.457 4.340 -0.001 0.000 0.209 401 L C 2.092 178.818 176.870 -0.240 0.000 1.083 401 L CA 2.362 57.070 54.840 -0.220 0.000 0.752 401 L CB -1.213 40.928 42.059 0.138 0.000 0.899 401 L HN 0.339 nan 8.230 nan 0.000 0.433 402 G N -1.310 107.441 108.800 -0.080 0.000 2.198 402 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.257 402 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.257 402 G C 0.508 175.389 174.900 -0.032 0.000 1.042 402 G CA 0.243 45.303 45.100 -0.067 0.000 0.791 402 G HN 0.853 nan 8.290 nan 0.000 0.502 403 G N -1.200 107.607 108.800 0.012 0.000 2.568 403 G HA2 0.767 4.726 3.960 -0.001 0.000 0.313 403 G HA3 0.767 4.726 3.960 -0.001 0.000 0.313 403 G C -0.567 174.363 174.900 0.051 0.000 1.227 403 G CA -0.640 44.478 45.100 0.029 0.000 0.979 403 G HN 0.978 nan 8.290 nan 0.000 0.486 404 I N -0.365 120.236 120.570 0.052 0.000 2.509 404 I HA 0.306 4.475 4.170 -0.001 0.000 0.293 404 I C -0.201 175.953 176.117 0.061 0.000 1.020 404 I CA -0.931 60.400 61.300 0.052 0.000 1.088 404 I CB 1.644 39.662 38.000 0.030 0.000 1.267 404 I HN 0.417 nan 8.210 nan 0.000 0.430 405 c N 7.338 125.974 118.600 0.059 0.000 3.461 405 c HA 0.375 4.944 4.570 -0.001 0.000 0.525 405 c C 0.937 175.055 174.090 0.045 0.000 1.028 405 c CA -0.061 56.298 56.329 0.050 0.000 1.068 405 c CB -2.414 40.124 42.510 0.047 0.000 1.402 405 c HN 0.641 nan 8.230 nan 0.000 0.612 406 A N 3.395 126.255 122.820 0.065 0.000 3.317 406 A HA 0.468 4.787 4.320 -0.001 0.000 0.307 406 A C -2.272 175.410 177.584 0.162 0.000 1.003 406 A CA -0.792 51.290 52.037 0.075 0.000 0.882 406 A CB 0.261 19.280 19.000 0.033 0.000 1.136 406 A HN 0.487 nan 8.150 nan 0.000 0.488 407 P HA 0.411 nan 4.420 nan 0.000 0.269 407 P C -0.600 176.863 177.300 0.273 0.000 1.217 407 P CA 0.407 63.609 63.100 0.170 0.000 0.783 407 P CB 0.353 32.083 31.700 0.049 0.000 0.898 408 F N -1.907 118.046 119.950 0.005 0.000 2.678 408 F HA 0.681 5.207 4.527 -0.001 0.000 0.308 408 F C -1.205 174.598 175.800 0.004 0.000 1.118 408 F CA -0.903 57.097 58.000 0.001 0.000 0.959 408 F CB 1.568 40.568 39.000 -0.000 0.000 1.305 408 F HN 0.401 nan 8.300 nan 0.000 0.443 409 T N 0.673 115.252 114.554 0.040 0.000 2.893 409 T HA 0.838 5.187 4.350 -0.001 0.000 0.291 409 T C -1.103 173.577 174.700 -0.034 0.000 1.028 409 T CA -0.682 61.381 62.100 -0.062 0.000 0.995 409 T CB 1.935 70.786 68.868 -0.028 0.000 1.051 409 T HN 0.793 nan 8.240 nan 0.000 0.470 410 I N 3.123 123.623 120.570 -0.117 0.000 2.534 410 I HA 0.418 4.588 4.170 -0.001 0.000 0.288 410 I C -2.344 173.646 176.117 -0.211 0.000 1.077 410 I CA -2.520 58.628 61.300 -0.253 0.000 1.051 410 I CB 2.928 40.590 38.000 -0.563 0.000 1.234 410 I HN 0.528 nan 8.210 nan 0.000 0.425 411 P HA 0.174 nan 4.420 nan 0.000 0.274 411 P C -1.050 176.267 177.300 0.028 0.000 1.237 411 P CA -0.352 62.717 63.100 -0.052 0.000 0.793 411 P CB 0.757 32.434 31.700 -0.038 0.000 0.977 412 D N -0.424 120.045 120.400 0.116 0.000 2.368 412 D HA 0.267 4.906 4.640 -0.001 0.000 0.240 412 D C -0.157 176.230 176.300 0.145 0.000 1.169 412 D CA 0.254 54.371 54.000 0.195 0.000 0.906 412 D CB 0.629 41.507 40.800 0.130 0.000 1.187 412 D HN 0.024 nan 8.370 nan 0.000 0.435 413 V N -0.325 119.702 119.914 0.187 0.000 3.120 413 V HA 0.671 4.790 4.120 -0.001 0.000 0.303 413 V C -1.590 174.581 176.094 0.128 0.000 1.238 413 V CA -0.642 61.737 62.300 0.132 0.000 1.008 413 V CB 2.109 34.011 31.823 0.132 0.000 1.064 413 V HN 0.680 nan 8.190 nan 0.000 0.434 414 A N 5.353 128.223 122.820 0.083 0.000 2.330 414 A HA 0.976 5.295 4.320 -0.001 0.000 0.327 414 A C -1.372 176.237 177.584 0.040 0.000 1.155 414 A CA -0.446 51.632 52.037 0.067 0.000 0.803 414 A CB 1.236 20.263 19.000 0.045 0.000 1.208 414 A HN 1.256 nan 8.150 nan 0.000 0.477 415 L N -0.749 120.487 121.223 0.023 0.000 2.397 415 L HA 0.752 5.091 4.340 -0.001 0.000 0.251 415 L C -0.282 176.570 176.870 -0.030 0.000 1.064 415 L CA -1.070 53.760 54.840 -0.017 0.000 0.859 415 L CB 0.196 42.224 42.059 -0.052 0.000 1.468 415 L HN 0.447 nan 8.230 nan 0.000 0.411 416 E N 1.349 121.521 120.200 -0.046 0.000 2.318 416 E HA 0.435 4.784 4.350 -0.001 0.000 0.265 416 E C -2.427 174.112 176.600 -0.101 0.000 1.069 416 E CA -1.945 54.424 56.400 -0.051 0.000 0.893 416 E CB 0.439 30.116 29.700 -0.039 0.000 1.076 416 E HN 0.467 nan 8.360 nan 0.000 0.414 417 P HA 0.041 nan 4.420 nan 0.000 0.268 417 P C 0.507 177.729 177.300 -0.129 0.000 1.205 417 P CA 0.412 63.424 63.100 -0.147 0.000 0.771 417 P CB 0.459 32.104 31.700 -0.092 0.000 0.858 418 G N 0.967 109.669 108.800 -0.164 0.000 2.143 418 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.248 418 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.248 418 G C -0.032 174.799 174.900 -0.116 0.000 0.991 418 G CA -0.061 44.964 45.100 -0.125 0.000 0.689 418 G HN 0.637 nan 8.290 nan 0.000 0.522 419 Q N -0.666 119.048 119.800 -0.144 0.000 2.416 419 Q HA 0.668 5.007 4.340 -0.001 0.000 0.279 419 Q C 0.005 175.925 176.000 -0.132 0.000 1.101 419 Q CA -0.848 54.888 55.803 -0.111 0.000 0.830 419 Q CB 1.605 30.290 28.738 -0.087 0.000 1.402 419 Q HN 0.618 nan 8.270 nan 0.000 0.445 420 Q N -0.572 119.174 119.800 -0.089 0.000 2.495 420 Q HA 0.862 5.202 4.340 -0.001 0.000 0.287 420 Q C -1.508 174.468 176.000 -0.041 0.000 1.078 420 Q CA -0.902 54.857 55.803 -0.074 0.000 0.793 420 Q CB 2.502 31.205 28.738 -0.058 0.000 1.459 420 Q HN 0.375 nan 8.270 nan 0.000 0.422 421 V N 0.091 119.992 119.914 -0.022 0.000 3.147 421 V HA 0.554 4.673 4.120 -0.001 0.000 0.299 421 V C -1.642 174.455 176.094 0.006 0.000 1.302 421 V CA -0.237 62.059 62.300 -0.006 0.000 1.015 421 V CB 2.874 34.699 31.823 0.003 0.000 1.086 421 V HN 0.994 nan 8.190 nan 0.000 0.437 422 T N 4.238 118.792 114.554 0.001 0.000 2.792 422 T HA 0.647 4.996 4.350 -0.001 0.000 0.280 422 T C -0.608 174.083 174.700 -0.015 0.000 0.990 422 T CA -0.268 61.831 62.100 -0.002 0.000 0.960 422 T CB 1.339 70.204 68.868 -0.005 0.000 0.939 422 T HN 1.099 nan 8.240 nan 0.000 0.439 423 V N 1.958 121.851 119.914 -0.034 0.000 2.667 423 V HA 0.824 4.944 4.120 -0.001 0.000 0.308 423 V C -2.679 173.370 176.094 -0.076 0.000 1.048 423 V CA -2.993 59.266 62.300 -0.068 0.000 0.928 423 V CB 1.451 33.193 31.823 -0.136 0.000 1.004 423 V HN 0.573 nan 8.190 nan 0.000 0.444 424 P HA 0.324 nan 4.420 nan 0.000 0.274 424 P C -0.727 176.536 177.300 -0.062 0.000 1.231 424 P CA -0.149 62.921 63.100 -0.051 0.000 0.790 424 P CB 1.498 33.178 31.700 -0.034 0.000 0.951 425 V N 1.713 121.612 119.914 -0.026 0.000 2.513 425 V HA 0.634 4.754 4.120 -0.001 0.000 0.299 425 V C 0.309 176.422 176.094 0.033 0.000 1.035 425 V CA -0.711 61.602 62.300 0.021 0.000 0.889 425 V CB 1.334 33.183 31.823 0.044 0.000 0.988 425 V HN 0.759 nan 8.190 nan 0.000 0.440 426 A N 4.414 127.275 122.820 0.068 0.000 2.319 426 A HA 0.802 5.121 4.320 -0.001 0.000 0.310 426 A C -0.927 176.724 177.584 0.112 0.000 1.152 426 A CA -0.494 51.578 52.037 0.058 0.000 0.783 426 A CB 1.444 20.464 19.000 0.033 0.000 1.184 426 A HN 0.639 nan 8.150 nan 0.000 0.474 427 V N 2.866 122.824 119.914 0.073 0.000 2.347 427 V HA 0.347 4.466 4.120 -0.001 0.000 0.280 427 V C 0.205 176.334 176.094 0.057 0.000 1.021 427 V CA -0.273 62.080 62.300 0.088 0.000 0.847 427 V CB 1.548 33.354 31.823 -0.029 0.000 0.990 427 V HN 0.876 nan 8.190 nan 0.000 0.444 428 T N 4.432 119.031 114.554 0.075 0.000 2.739 428 T HA 0.143 4.492 4.350 -0.001 0.000 0.298 428 T C 0.304 175.024 174.700 0.034 0.000 0.929 428 T CA -0.116 62.008 62.100 0.040 0.000 1.014 428 T CB -0.185 68.702 68.868 0.032 0.000 0.914 428 T HN 0.591 nan 8.240 nan 0.000 0.509 429 N N 3.161 121.871 118.700 0.017 0.000 2.399 429 N HA 0.064 4.803 4.740 -0.001 0.000 0.259 429 N C 0.718 176.234 175.510 0.011 0.000 1.160 429 N CA -0.029 53.028 53.050 0.012 0.000 0.946 429 N CB 0.660 39.147 38.487 0.000 0.000 1.156 429 N HN 0.534 nan 8.380 nan 0.000 0.489 430 Q N 0.887 120.696 119.800 0.016 0.000 2.247 430 Q HA 0.077 4.416 4.340 -0.001 0.000 0.204 430 Q C 1.052 177.062 176.000 0.017 0.000 0.872 430 Q CA -0.065 55.745 55.803 0.012 0.000 0.951 430 Q CB 0.385 29.127 28.738 0.007 0.000 1.099 430 Q HN 0.722 nan 8.270 nan 0.000 0.501 431 S N -1.050 114.661 115.700 0.019 0.000 2.527 431 S HA 0.124 4.593 4.470 -0.001 0.000 0.222 431 S C 1.710 176.320 174.600 0.016 0.000 0.985 431 S CA 0.463 58.678 58.200 0.024 0.000 0.921 431 S CB 0.094 63.309 63.200 0.024 0.000 0.772 431 S HN 0.488 nan 8.310 nan 0.000 0.529 432 G N 1.452 110.258 108.800 0.009 0.000 2.189 432 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.267 432 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.267 432 G C 0.081 174.982 174.900 0.003 0.000 0.975 432 G CA 0.676 45.778 45.100 0.003 0.000 0.644 432 G HN 1.157 nan 8.290 nan 0.000 0.537 433 I N -1.559 119.014 120.570 0.005 0.000 2.648 433 I HA 0.900 5.070 4.170 -0.001 0.000 0.304 433 I C 0.253 176.370 176.117 -0.000 0.000 1.009 433 I CA -0.881 60.421 61.300 0.004 0.000 1.114 433 I CB 2.034 40.039 38.000 0.009 0.000 1.293 433 I HN 0.503 nan 8.210 nan 0.000 0.449 434 A N 5.291 128.110 122.820 -0.002 0.000 2.328 434 A HA 0.656 4.975 4.320 -0.001 0.000 0.284 434 A C -0.474 177.106 177.584 -0.006 0.000 1.160 434 A CA -0.439 51.595 52.037 -0.005 0.000 0.818 434 A CB 0.600 19.597 19.000 -0.005 0.000 1.087 434 A HN 0.661 nan 8.150 nan 0.000 0.504 435 V N 5.757 125.663 119.914 -0.012 0.000 2.340 435 V HA 0.230 4.350 4.120 -0.001 0.000 0.277 435 V C -1.873 174.210 176.094 -0.019 0.000 1.017 435 V CA -0.860 61.431 62.300 -0.015 0.000 0.820 435 V CB 1.420 33.230 31.823 -0.022 0.000 1.028 435 V HN 0.798 nan 8.190 nan 0.000 0.436 436 P HA -0.068 nan 4.420 nan 0.000 0.216 436 P C 0.456 177.745 177.300 -0.018 0.000 1.150 436 P CA 1.204 64.296 63.100 -0.014 0.000 0.837 436 P CB 0.249 31.944 31.700 -0.010 0.000 0.786 437 K N -0.754 119.634 120.400 -0.020 0.000 2.954 437 K HA 0.302 4.621 4.320 -0.001 0.000 0.171 437 K C -2.551 174.031 176.600 -0.031 0.000 1.079 437 K CA -1.505 54.769 56.287 -0.022 0.000 0.908 437 K CB 0.843 33.334 32.500 -0.016 0.000 1.142 437 K HN 0.186 nan 8.250 nan 0.000 0.613 438 P HA 0.090 nan 4.420 nan 0.000 0.272 438 P C -0.072 177.191 177.300 -0.061 0.000 1.230 438 P CA 0.029 63.091 63.100 -0.062 0.000 0.788 438 P CB 0.950 32.597 31.700 -0.088 0.000 0.949 439 S N 0.623 116.282 115.700 -0.068 0.000 2.627 439 S HA 0.696 5.166 4.470 -0.001 0.000 0.283 439 S C -1.217 173.338 174.600 -0.076 0.000 1.127 439 S CA -0.799 57.367 58.200 -0.058 0.000 0.863 439 S CB 1.453 64.634 63.200 -0.031 0.000 1.121 439 S HN 0.315 nan 8.310 nan 0.000 0.479 440 L N 1.536 122.730 121.223 -0.049 0.000 2.404 440 L HA 0.564 4.904 4.340 -0.001 0.000 0.272 440 L C -0.755 176.128 176.870 0.021 0.000 0.980 440 L CA -0.164 54.655 54.840 -0.035 0.000 0.836 440 L CB 1.766 43.805 42.059 -0.033 0.000 1.238 440 L HN 0.974 nan 8.230 nan 0.000 0.408 441 Q N 4.453 124.281 119.800 0.046 0.000 2.333 441 Q HA 0.674 5.014 4.340 -0.001 0.000 0.265 441 Q C -1.754 174.304 176.000 0.095 0.000 0.989 441 Q CA -0.615 55.222 55.803 0.057 0.000 0.842 441 Q CB 1.426 30.187 28.738 0.038 0.000 1.262 441 Q HN 0.698 nan 8.270 nan 0.000 0.451 442 L N 2.904 124.185 121.223 0.097 0.000 2.344 442 L HA 0.498 4.837 4.340 -0.001 0.000 0.272 442 L C -0.806 176.097 176.870 0.055 0.000 1.035 442 L CA -0.623 54.286 54.840 0.115 0.000 0.807 442 L CB 1.646 43.804 42.059 0.165 0.000 1.237 442 L HN 0.612 nan 8.230 nan 0.000 0.442 443 D N 2.393 122.804 120.400 0.019 0.000 2.454 443 D HA 0.624 5.264 4.640 -0.001 0.000 0.247 443 D C -0.532 175.704 176.300 -0.107 0.000 1.129 443 D CA -0.066 53.912 54.000 -0.036 0.000 0.877 443 D CB 1.871 42.646 40.800 -0.041 0.000 1.082 443 D HN 0.583 nan 8.370 nan 0.000 0.537 444 A N 1.050 123.793 122.820 -0.128 0.000 2.437 444 A HA 0.716 5.036 4.320 -0.001 0.000 0.288 444 A C 0.012 177.390 177.584 -0.342 0.000 1.201 444 A CA -0.704 51.165 52.037 -0.280 0.000 0.795 444 A CB 0.912 19.808 19.000 -0.173 0.000 1.359 444 A HN 0.261 nan 8.150 nan 0.000 0.435 445 S N 1.650 116.951 115.700 -0.665 0.000 2.563 445 S HA 0.126 4.595 4.470 -0.001 0.000 0.294 445 S C -1.727 172.756 174.600 -0.195 0.000 1.279 445 S CA -0.072 57.827 58.200 -0.501 0.000 1.069 445 S CB 0.243 62.968 63.200 -0.791 0.000 0.828 445 S HN 0.475 nan 8.310 nan 0.000 0.497 446 P HA -0.173 nan 4.420 nan 0.000 0.218 446 P C 1.063 178.400 177.300 0.062 0.000 1.146 446 P CA 1.111 64.208 63.100 -0.005 0.000 0.813 446 P CB 0.009 31.704 31.700 -0.007 0.000 0.778 447 D N -3.020 117.447 120.400 0.112 0.000 2.323 447 D HA -0.104 4.535 4.640 -0.001 0.000 0.209 447 D C 0.355 176.808 176.300 0.256 0.000 0.973 447 D CA 0.219 54.319 54.000 0.166 0.000 0.874 447 D CB -0.579 40.323 40.800 0.169 0.000 0.930 447 D HN 0.120 nan 8.370 nan 0.000 0.521 448 W N 1.930 123.197 121.300 -0.055 0.000 2.184 448 W HA 0.348 5.008 4.660 -0.001 0.000 0.338 448 W C 0.839 177.339 176.519 -0.031 0.000 1.257 448 W CA -0.841 56.469 57.345 -0.059 0.000 1.243 448 W CB 0.284 29.694 29.460 -0.083 0.000 1.122 448 W HN -0.141 nan 8.180 nan 0.000 0.585 449 Q N 1.694 121.598 119.800 0.173 0.000 2.348 449 Q HA 0.576 4.916 4.340 -0.001 0.000 0.265 449 Q C -1.643 174.442 176.000 0.142 0.000 0.998 449 Q CA -0.311 55.563 55.803 0.119 0.000 0.831 449 Q CB 1.104 29.876 28.738 0.057 0.000 1.251 449 Q HN 0.338 nan 8.270 nan 0.000 0.456 450 V N 5.026 125.030 119.914 0.150 0.000 2.577 450 V HA 0.490 4.609 4.120 -0.001 0.000 0.303 450 V C -0.916 175.250 176.094 0.120 0.000 1.042 450 V CA -0.614 61.785 62.300 0.165 0.000 0.872 450 V CB 1.595 33.549 31.823 0.218 0.000 0.998 450 V HN 0.911 nan 8.190 nan 0.000 0.423 451 Q N 3.115 122.980 119.800 0.109 0.000 2.386 451 Q HA 0.829 5.168 4.340 -0.001 0.000 0.274 451 Q C -0.761 175.280 176.000 0.068 0.000 1.011 451 Q CA -0.843 55.007 55.803 0.078 0.000 0.867 451 Q CB 2.627 31.397 28.738 0.054 0.000 1.409 451 Q HN 0.883 nan 8.270 nan 0.000 0.395 452 G N 0.473 109.306 108.800 0.055 0.000 2.684 452 G HA2 0.740 4.699 3.960 -0.001 0.000 0.290 452 G HA3 0.740 4.699 3.960 -0.001 0.000 0.290 452 G C -1.275 173.634 174.900 0.015 0.000 1.425 452 G CA -0.262 44.861 45.100 0.039 0.000 0.822 452 G HN 1.039 nan 8.290 nan 0.000 0.482 453 S N -2.077 113.622 115.700 -0.002 0.000 2.638 453 S HA 0.832 5.301 4.470 -0.001 0.000 0.274 453 S C -1.495 173.082 174.600 -0.038 0.000 1.157 453 S CA -0.774 57.414 58.200 -0.020 0.000 0.826 453 S CB 1.830 65.021 63.200 -0.015 0.000 1.139 453 S HN 1.873 nan 8.310 nan 0.000 0.474 454 V N 0.588 120.469 119.914 -0.055 0.000 2.841 454 V HA 0.550 4.669 4.120 -0.001 0.000 0.310 454 V C -0.817 175.245 176.094 -0.053 0.000 1.090 454 V CA -0.654 61.605 62.300 -0.068 0.000 0.930 454 V CB 1.832 33.581 31.823 -0.125 0.000 1.014 454 V HN 1.079 nan 8.190 nan 0.000 0.425 455 E N 5.507 125.682 120.200 -0.043 0.000 2.391 455 E HA 0.311 4.661 4.350 -0.001 0.000 0.255 455 E C -2.448 174.130 176.600 -0.037 0.000 1.187 455 E CA -1.537 54.844 56.400 -0.033 0.000 0.941 455 E CB 0.242 29.927 29.700 -0.025 0.000 1.010 455 E HN 0.560 nan 8.360 nan 0.000 0.458 456 P HA -0.043 nan 4.420 nan 0.000 0.267 456 P C -0.820 176.463 177.300 -0.030 0.000 1.200 456 P CA 0.491 63.574 63.100 -0.029 0.000 0.772 456 P CB 0.352 32.040 31.700 -0.021 0.000 0.855 457 L N 2.964 124.168 121.223 -0.031 0.000 2.312 457 L HA 0.492 4.832 4.340 -0.001 0.000 0.281 457 L C 0.502 177.361 176.870 -0.017 0.000 1.070 457 L CA -0.171 54.653 54.840 -0.027 0.000 0.805 457 L CB 0.221 42.261 42.059 -0.032 0.000 1.174 457 L HN 0.256 nan 8.230 nan 0.000 0.434 458 M N 2.928 122.520 119.600 -0.013 0.000 2.530 458 M HA 0.450 4.930 4.480 -0.001 0.000 0.307 458 M C -2.556 173.740 176.300 -0.007 0.000 1.161 458 M CA -1.949 53.346 55.300 -0.009 0.000 0.903 458 M CB 2.521 35.116 32.600 -0.009 0.000 1.711 458 M HN 0.210 nan 8.290 nan 0.000 0.451 459 P HA 0.039 nan 4.420 nan 0.000 0.262 459 P C 0.699 177.996 177.300 -0.004 0.000 1.182 459 P CA 1.059 64.157 63.100 -0.003 0.000 0.761 459 P CB 0.321 32.019 31.700 -0.004 0.000 0.795 460 G N 1.738 110.536 108.800 -0.003 0.000 2.187 460 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.261 460 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.261 460 G C 0.073 174.971 174.900 -0.003 0.000 1.000 460 G CA -0.175 44.923 45.100 -0.003 0.000 0.718 460 G HN 0.513 nan 8.290 nan 0.000 0.519 461 R N -0.333 120.166 120.500 -0.003 0.000 2.670 461 R HA 0.480 4.820 4.340 -0.001 0.000 0.289 461 R C -0.068 176.232 176.300 -0.001 0.000 0.965 461 R CA -0.909 55.190 56.100 -0.003 0.000 0.899 461 R CB 1.256 31.553 30.300 -0.006 0.000 1.173 461 R HN 0.437 nan 8.270 nan 0.000 0.456 462 Q N 1.362 121.162 119.800 0.000 0.000 2.314 462 Q HA 0.466 4.805 4.340 -0.001 0.000 0.257 462 Q C -0.862 175.137 176.000 -0.002 0.000 0.975 462 Q CA -0.290 55.515 55.803 0.004 0.000 0.933 462 Q CB 1.166 29.908 28.738 0.007 0.000 1.195 462 Q HN 0.690 nan 8.270 nan 0.000 0.426 463 A N 4.632 127.449 122.820 -0.006 0.000 2.316 463 A HA 0.412 4.732 4.320 -0.001 0.000 0.284 463 A C -0.619 176.957 177.584 -0.014 0.000 1.115 463 A CA -0.509 51.518 52.037 -0.016 0.000 0.812 463 A CB 0.661 19.642 19.000 -0.031 0.000 1.064 463 A HN 0.780 nan 8.150 nan 0.000 0.489 464 K N 0.391 120.781 120.400 -0.016 0.000 2.087 464 K HA 0.640 4.959 4.320 -0.001 0.000 0.255 464 K C 0.330 176.916 176.600 -0.023 0.000 0.988 464 K CA 0.006 56.285 56.287 -0.014 0.000 0.915 464 K CB 1.762 34.254 32.500 -0.013 0.000 1.043 464 K HN 0.872 nan 8.250 nan 0.000 0.457 465 G N 0.364 109.152 108.800 -0.020 0.000 2.749 465 G HA2 0.475 4.435 3.960 -0.001 0.000 0.300 465 G HA3 0.475 4.435 3.960 -0.001 0.000 0.300 465 G C -1.891 172.997 174.900 -0.019 0.000 1.352 465 G CA -0.626 44.459 45.100 -0.025 0.000 0.789 465 G HN 0.524 nan 8.290 nan 0.000 0.509 466 Q N -1.736 118.054 119.800 -0.017 0.000 2.435 466 Q HA 0.741 5.081 4.340 -0.001 0.000 0.282 466 Q C -1.732 174.263 176.000 -0.009 0.000 1.020 466 Q CA -0.918 54.874 55.803 -0.018 0.000 0.820 466 Q CB 2.323 31.054 28.738 -0.012 0.000 1.436 466 Q HN 0.649 nan 8.270 nan 0.000 0.395 467 V N 1.222 121.126 119.914 -0.017 0.000 2.709 467 V HA 0.725 4.845 4.120 -0.001 0.000 0.308 467 V C -0.870 175.243 176.094 0.032 0.000 1.062 467 V CA -0.516 61.795 62.300 0.020 0.000 0.901 467 V CB 2.348 34.180 31.823 0.016 0.000 1.003 467 V HN 0.959 nan 8.190 nan 0.000 0.425 468 T N 5.681 120.269 114.554 0.057 0.000 2.797 468 T HA 0.752 5.101 4.350 -0.001 0.000 0.279 468 T C -0.511 174.243 174.700 0.090 0.000 0.991 468 T CA -0.178 61.954 62.100 0.053 0.000 0.979 468 T CB 1.196 70.084 68.868 0.032 0.000 0.943 468 T HN 0.367 nan 8.240 nan 0.000 0.444 469 I N 2.547 123.169 120.570 0.085 0.000 2.436 469 I HA 0.377 4.547 4.170 -0.001 0.000 0.289 469 I C 0.022 176.128 176.117 -0.017 0.000 1.010 469 I CA -0.473 60.888 61.300 0.102 0.000 1.098 469 I CB 2.119 40.223 38.000 0.174 0.000 1.266 469 I HN 0.534 nan 8.210 nan 0.000 0.434 470 T N 5.407 119.925 114.554 -0.059 0.000 2.786 470 T HA 0.497 4.847 4.350 -0.001 0.000 0.283 470 T C -0.329 174.147 174.700 -0.374 0.000 0.992 470 T CA -0.524 61.480 62.100 -0.160 0.000 0.954 470 T CB 1.502 70.317 68.868 -0.089 0.000 0.934 470 T HN 0.144 nan 8.240 nan 0.000 0.440 471 V N 6.340 125.913 119.914 -0.568 0.000 2.370 471 V HA 0.350 4.470 4.120 -0.001 0.000 0.279 471 V C -2.212 173.556 176.094 -0.543 0.000 1.029 471 V CA -2.317 59.395 62.300 -0.981 0.000 0.870 471 V CB 1.205 32.392 31.823 -1.060 0.000 0.984 471 V HN 0.673 nan 8.190 nan 0.000 0.451 472 P HA 0.189 nan 4.420 nan 0.000 0.268 472 P C -0.114 177.084 177.300 -0.171 0.000 1.204 472 P CA -0.004 62.967 63.100 -0.215 0.000 0.768 472 P CB 0.501 32.133 31.700 -0.114 0.000 0.842 473 A N 3.211 125.962 122.820 -0.116 0.000 2.587 473 A HA 0.358 4.678 4.320 -0.001 0.000 0.233 473 A C 1.603 179.157 177.584 -0.051 0.000 1.049 473 A CA 1.007 52.998 52.037 -0.078 0.000 0.754 473 A CB -1.382 17.586 19.000 -0.054 0.000 0.977 473 A HN 0.902 nan 8.150 nan 0.000 0.509 474 G N 1.274 110.054 108.800 -0.033 0.000 2.195 474 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.246 474 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.246 474 G C 0.457 175.367 174.900 0.016 0.000 0.984 474 G CA 0.421 45.519 45.100 -0.004 0.000 0.633 474 G HN 1.322 nan 8.290 nan 0.000 0.525 475 T N 3.164 117.717 114.554 -0.002 0.000 2.867 475 T HA 0.429 4.778 4.350 -0.001 0.000 0.297 475 T C 0.945 175.700 174.700 0.093 0.000 0.989 475 T CA 0.858 62.986 62.100 0.046 0.000 1.159 475 T CB 0.777 69.618 68.868 -0.043 0.000 0.928 475 T HN 0.463 nan 8.240 nan 0.000 0.538 476 T N 6.322 120.974 114.554 0.163 0.000 2.908 476 T HA 0.128 4.477 4.350 -0.001 0.000 0.301 476 T C -2.153 172.696 174.700 0.248 0.000 1.019 476 T CA -1.116 61.091 62.100 0.178 0.000 1.152 476 T CB -0.168 68.810 68.868 0.184 0.000 0.966 476 T HN 0.323 nan 8.240 nan 0.000 0.540 477 P HA 0.393 nan 4.420 nan 0.000 0.264 477 P C 0.476 177.862 177.300 0.143 0.000 1.183 477 P CA 0.496 63.682 63.100 0.144 0.000 0.763 477 P CB 0.426 32.161 31.700 0.059 0.000 0.807 478 G N 1.877 110.778 108.800 0.168 0.000 2.317 478 G HA2 0.274 4.234 3.960 -0.001 0.000 0.293 478 G HA3 0.274 4.234 3.960 -0.001 0.000 0.293 478 G C -1.679 173.196 174.900 -0.042 0.000 1.287 478 G CA -0.873 44.199 45.100 -0.046 0.000 0.850 478 G HN 0.365 nan 8.290 nan 0.000 0.515 479 R N -0.336 120.029 120.500 -0.225 0.000 2.338 479 R HA 0.528 4.867 4.340 -0.001 0.000 0.317 479 R C -1.504 174.614 176.300 -0.303 0.000 0.968 479 R CA -0.506 55.529 56.100 -0.108 0.000 0.849 479 R CB 1.664 31.919 30.300 -0.075 0.000 1.128 479 R HN 0.496 nan 8.270 nan 0.000 0.448 480 Y N 1.515 121.812 120.300 -0.005 0.000 2.328 480 Y HA 0.321 4.871 4.550 -0.001 0.000 0.336 480 Y C 0.482 176.262 175.900 -0.199 0.000 0.960 480 Y CA -0.754 57.273 58.100 -0.122 0.000 1.134 480 Y CB 1.512 39.870 38.460 -0.169 0.000 1.166 480 Y HN 0.234 nan 8.280 nan 0.000 0.464 481 R N 2.818 123.249 120.500 -0.115 0.000 2.340 481 R HA 0.534 4.873 4.340 -0.001 0.000 0.300 481 R C -1.438 174.687 176.300 -0.292 0.000 1.069 481 R CA -0.297 55.691 56.100 -0.186 0.000 0.984 481 R CB 0.708 30.923 30.300 -0.141 0.000 1.003 481 R HN 0.530 nan 8.270 nan 0.000 0.459 482 V N 3.742 123.371 119.914 -0.476 0.000 2.448 482 V HA 0.378 4.498 4.120 -0.001 0.000 0.295 482 V C 0.676 176.564 176.094 -0.344 0.000 1.025 482 V CA -0.801 61.191 62.300 -0.513 0.000 0.859 482 V CB 1.677 32.965 31.823 -0.893 0.000 0.988 482 V HN 0.943 nan 8.190 nan 0.000 0.431 483 G N 3.133 111.843 108.800 -0.151 0.000 2.444 483 G HA2 0.650 4.610 3.960 -0.001 0.000 0.268 483 G HA3 0.650 4.610 3.960 -0.001 0.000 0.268 483 G C -0.375 174.573 174.900 0.080 0.000 1.203 483 G CA 0.061 45.141 45.100 -0.033 0.000 0.835 483 G HN 1.148 nan 8.290 nan 0.000 0.543 484 A N 1.114 124.029 122.820 0.157 0.000 2.393 484 A HA 0.817 5.136 4.320 -0.001 0.000 0.306 484 A C -0.254 177.540 177.584 0.349 0.000 1.050 484 A CA -0.577 51.634 52.037 0.289 0.000 0.724 484 A CB 1.884 21.150 19.000 0.443 0.000 1.248 484 A HN 0.667 nan 8.150 nan 0.000 0.424 485 T N 2.435 117.158 114.554 0.282 0.000 2.840 485 T HA 0.450 4.799 4.350 -0.001 0.000 0.287 485 T C -0.805 173.962 174.700 0.112 0.000 0.991 485 T CA -0.254 61.983 62.100 0.227 0.000 0.964 485 T CB 0.983 69.914 68.868 0.105 0.000 0.954 485 T HN 0.637 nan 8.240 nan 0.000 0.438 486 L N 5.073 126.302 121.223 0.011 0.000 2.278 486 L HA 0.495 4.835 4.340 -0.001 0.000 0.287 486 L C -0.121 176.696 176.870 -0.089 0.000 1.072 486 L CA 0.027 54.726 54.840 -0.235 0.000 0.819 486 L CB 0.018 41.728 42.059 -0.581 0.000 1.176 486 L HN 0.511 nan 8.230 nan 0.000 0.435 487 R N 3.464 123.920 120.500 -0.074 0.000 2.445 487 R HA 0.712 5.051 4.340 -0.001 0.000 0.308 487 R C -0.425 175.848 176.300 -0.045 0.000 0.961 487 R CA -0.503 55.574 56.100 -0.039 0.000 0.862 487 R CB 1.641 31.928 30.300 -0.023 0.000 1.144 487 R HN 0.768 nan 8.270 nan 0.000 0.447 488 T N -2.344 112.192 114.554 -0.031 0.000 2.841 488 T HA 0.161 4.511 4.350 -0.001 0.000 0.296 488 T C 0.946 175.639 174.700 -0.011 0.000 1.166 488 T CA -0.712 61.373 62.100 -0.025 0.000 1.007 488 T CB 1.660 70.510 68.868 -0.030 0.000 1.253 488 T HN 0.461 nan 8.240 nan 0.000 0.511 489 S N 0.196 115.893 115.700 -0.006 0.000 2.515 489 S HA 0.143 4.612 4.470 -0.001 0.000 0.231 489 S C 1.983 176.589 174.600 0.011 0.000 0.987 489 S CA 0.393 58.595 58.200 0.003 0.000 0.936 489 S CB -0.632 62.571 63.200 0.004 0.000 0.766 489 S HN 1.081 nan 8.310 nan 0.000 0.528 490 A N 1.020 123.846 122.820 0.010 0.000 2.178 490 A HA 0.634 4.953 4.320 -0.001 0.000 0.211 490 A C 1.203 178.801 177.584 0.023 0.000 1.157 490 A CA 0.421 52.470 52.037 0.020 0.000 0.780 490 A CB -0.416 18.595 19.000 0.018 0.000 0.828 490 A HN 1.259 nan 8.150 nan 0.000 0.476 491 G N -1.071 107.737 108.800 0.012 0.000 2.353 491 G HA2 0.206 4.165 3.960 -0.001 0.000 0.424 491 G HA3 0.206 4.165 3.960 -0.001 0.000 0.424 491 G C -1.818 173.085 174.900 0.005 0.000 1.320 491 G CA -0.686 44.421 45.100 0.010 0.000 0.995 491 G HN 0.243 nan 8.290 nan 0.000 0.580 492 N N -0.260 118.444 118.700 0.007 0.000 2.362 492 N HA 0.876 5.615 4.740 -0.001 0.000 0.299 492 N C 0.035 175.578 175.510 0.055 0.000 1.170 492 N CA 0.332 53.392 53.050 0.017 0.000 0.825 492 N CB 1.975 40.466 38.487 0.008 0.000 1.299 492 N HN 1.306 nan 8.380 nan 0.000 0.502 493 A N -0.103 122.782 122.820 0.108 0.000 2.479 493 A HA 0.829 5.149 4.320 -0.001 0.000 0.296 493 A C -0.640 177.148 177.584 0.339 0.000 1.121 493 A CA -0.551 51.611 52.037 0.209 0.000 0.743 493 A CB 0.998 20.157 19.000 0.266 0.000 1.323 493 A HN 0.676 nan 8.150 nan 0.000 0.415 494 S N -0.382 115.478 115.700 0.266 0.000 2.595 494 S HA 0.889 5.358 4.470 -0.001 0.000 0.281 494 S C -0.436 174.097 174.600 -0.111 0.000 1.117 494 S CA -0.156 58.160 58.200 0.192 0.000 0.873 494 S CB 1.862 65.127 63.200 0.109 0.000 1.108 494 S HN 1.409 nan 8.310 nan 0.000 0.477 495 T N 0.391 114.769 114.554 -0.293 0.000 2.778 495 T HA 0.853 5.202 4.350 -0.001 0.000 0.293 495 T C -1.083 173.551 174.700 -0.111 0.000 1.144 495 T CA 0.005 61.910 62.100 -0.325 0.000 1.010 495 T CB 1.461 69.922 68.868 -0.678 0.000 1.325 495 T HN 1.348 nan 8.240 nan 0.000 0.515 496 T N 0.002 114.529 114.554 -0.045 0.000 2.883 496 T HA 0.856 5.206 4.350 -0.001 0.000 0.296 496 T C -1.041 173.764 174.700 0.176 0.000 1.117 496 T CA -0.821 61.299 62.100 0.034 0.000 1.006 496 T CB 1.493 70.339 68.868 -0.038 0.000 1.191 496 T HN 0.769 nan 8.240 nan 0.000 0.508 497 F N -1.608 118.325 119.950 -0.028 0.000 2.715 497 F HA 0.831 5.357 4.527 -0.001 0.000 0.318 497 F C -0.993 174.823 175.800 0.026 0.000 1.141 497 F CA -1.181 56.816 58.000 -0.005 0.000 0.950 497 F CB 1.311 40.316 39.000 0.009 0.000 1.374 497 F HN 0.606 nan 8.300 nan 0.000 0.477 498 T N 1.654 116.264 114.554 0.093 0.000 2.823 498 T HA 0.597 4.946 4.350 -0.001 0.000 0.279 498 T C -1.001 173.793 174.700 0.157 0.000 0.998 498 T CA -0.613 61.502 62.100 0.026 0.000 0.994 498 T CB 1.769 70.664 68.868 0.045 0.000 0.960 498 T HN 0.549 nan 8.240 nan 0.000 0.448 499 V N 3.715 123.731 119.914 0.169 0.000 2.347 499 V HA 0.370 4.490 4.120 -0.001 0.000 0.280 499 V C 0.408 176.698 176.094 0.328 0.000 1.021 499 V CA -0.629 61.852 62.300 0.301 0.000 0.847 499 V CB 1.472 33.564 31.823 0.449 0.000 0.990 499 V HN 0.962 nan 8.190 nan 0.000 0.444 500 T N 4.928 119.619 114.554 0.229 0.000 2.806 500 T HA 0.525 4.874 4.350 -0.001 0.000 0.290 500 T C -0.238 174.576 174.700 0.190 0.000 0.966 500 T CA -0.233 61.988 62.100 0.201 0.000 1.060 500 T CB 1.398 70.333 68.868 0.111 0.000 0.927 500 T HN 0.355 nan 8.240 nan 0.000 0.485 501 V N 2.908 122.964 119.914 0.237 0.000 2.407 501 V HA 0.600 4.720 4.120 -0.001 0.000 0.291 501 V C 0.996 177.157 176.094 0.111 0.000 1.018 501 V CA -0.393 62.001 62.300 0.156 0.000 0.842 501 V CB 1.014 32.954 31.823 0.196 0.000 0.996 501 V HN 1.180 nan 8.190 nan 0.000 0.426 502 G N 4.836 113.665 108.800 0.048 0.000 2.225 502 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.267 502 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.267 502 G C -0.237 174.675 174.900 0.020 0.000 1.024 502 G CA 0.555 45.671 45.100 0.027 0.000 0.784 502 G HN 0.562 nan 8.290 nan 0.000 0.507 503 L N -0.570 120.666 121.223 0.020 0.000 2.342 503 L HA 0.614 4.953 4.340 -0.001 0.000 0.271 503 L C 1.081 177.931 176.870 -0.033 0.000 1.008 503 L CA -1.292 53.547 54.840 -0.001 0.000 0.818 503 L CB 1.605 43.673 42.059 0.014 0.000 1.296 503 L HN -0.021 nan 8.230 nan 0.000 0.427 504 L N 0.730 121.909 121.223 -0.073 0.000 2.472 504 L HA 0.147 4.487 4.340 -0.001 0.000 0.260 504 L C 0.130 176.939 176.870 -0.101 0.000 1.209 504 L CA -0.261 54.488 54.840 -0.152 0.000 0.817 504 L CB 0.430 42.344 42.059 -0.242 0.000 1.106 504 L HN 0.563 nan 8.230 nan 0.000 0.479 505 D N 0.839 121.169 120.400 -0.117 0.000 2.338 505 D HA 0.027 4.667 4.640 -0.001 0.000 0.255 505 D C 0.851 177.126 176.300 -0.043 0.000 1.237 505 D CA 0.237 54.204 54.000 -0.055 0.000 0.883 505 D CB 1.110 41.890 40.800 -0.034 0.000 1.087 505 D HN 0.399 nan 8.370 nan 0.000 0.485 506 Q N 2.670 122.457 119.800 -0.022 0.000 2.124 506 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 506 Q C 1.729 177.726 176.000 -0.006 0.000 0.977 506 Q CA 1.377 57.173 55.803 -0.011 0.000 0.850 506 Q CB 0.027 28.764 28.738 -0.003 0.000 0.901 506 Q HN 0.658 nan 8.270 nan 0.000 0.429 507 A N 0.879 123.697 122.820 -0.003 0.000 2.070 507 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 507 A C 1.823 179.410 177.584 0.004 0.000 1.159 507 A CA 1.034 53.072 52.037 0.001 0.000 0.656 507 A CB -0.202 18.800 19.000 0.004 0.000 0.800 507 A HN 0.193 nan 8.150 nan 0.000 0.453 508 R N -1.473 119.028 120.500 0.002 0.000 2.280 508 R HA 0.258 4.597 4.340 -0.001 0.000 0.195 508 R C 0.143 176.448 176.300 0.008 0.000 0.935 508 R CA -0.071 56.035 56.100 0.010 0.000 1.033 508 R CB -0.016 30.297 30.300 0.021 0.000 0.964 508 R HN 0.507 nan 8.270 nan 0.000 0.489 509 M N 0.108 119.709 119.600 0.002 0.000 2.283 509 M HA 0.163 4.642 4.480 -0.001 0.000 0.314 509 M C 0.203 176.511 176.300 0.013 0.000 1.153 509 M CA -0.075 55.228 55.300 0.006 0.000 1.084 509 M CB 1.755 34.359 32.600 0.006 0.000 1.468 509 M HN -0.079 nan 8.290 nan 0.000 0.474 510 S N 0.356 116.071 115.700 0.024 0.000 2.607 510 S HA 0.637 5.106 4.470 -0.001 0.000 0.273 510 S C -0.860 173.764 174.600 0.039 0.000 1.148 510 S CA -1.124 57.094 58.200 0.029 0.000 0.833 510 S CB 1.133 64.357 63.200 0.039 0.000 1.130 510 S HN 0.469 nan 8.310 nan 0.000 0.470 511 I N 2.043 122.624 120.570 0.018 0.000 2.471 511 I HA 0.341 4.511 4.170 -0.001 0.000 0.286 511 I C 1.367 177.511 176.117 0.045 0.000 1.079 511 I CA -0.245 61.056 61.300 0.002 0.000 1.398 511 I CB 0.458 38.426 38.000 -0.053 0.000 1.403 511 I HN 1.010 nan 8.210 nan 0.000 0.530 512 A N 5.581 128.450 122.820 0.083 0.000 1.924 512 A HA 0.101 4.420 4.320 -0.001 0.000 0.211 512 A C 0.275 177.885 177.584 0.043 0.000 1.198 512 A CA 0.881 52.993 52.037 0.125 0.000 0.657 512 A CB -0.064 19.086 19.000 0.251 0.000 0.852 512 A HN 0.811 nan 8.150 nan 0.000 0.454 513 D N -3.692 116.702 120.400 -0.009 0.000 2.648 513 D HA 0.464 5.103 4.640 -0.001 0.000 0.244 513 D C -1.209 175.020 176.300 -0.118 0.000 1.244 513 D CA -0.391 53.578 54.000 -0.052 0.000 0.772 513 D CB 1.494 42.259 40.800 -0.057 0.000 1.379 513 D HN 0.397 nan 8.370 nan 0.000 0.428 514 V N 1.229 121.080 119.914 -0.104 0.000 2.851 514 V HA 0.344 4.463 4.120 -0.001 0.000 0.307 514 V C 0.027 176.128 176.094 0.012 0.000 1.129 514 V CA -0.384 61.831 62.300 -0.140 0.000 0.932 514 V CB 1.986 33.648 31.823 -0.269 0.000 1.024 514 V HN 0.837 nan 8.190 nan 0.000 0.426 515 D N 3.424 123.886 120.400 0.102 0.000 2.218 515 D HA -0.025 4.614 4.640 -0.001 0.000 0.204 515 D C 0.580 176.993 176.300 0.188 0.000 0.976 515 D CA 1.342 55.429 54.000 0.146 0.000 0.853 515 D CB 0.654 41.569 40.800 0.191 0.000 0.939 515 D HN 0.550 nan 8.370 nan 0.000 0.481 516 S N -0.719 115.148 115.700 0.278 0.000 2.579 516 S HA 0.337 4.806 4.470 -0.001 0.000 0.290 516 S C -2.134 172.686 174.600 0.366 0.000 1.123 516 S CA -0.817 57.533 58.200 0.250 0.000 0.894 516 S CB 1.341 64.675 63.200 0.223 0.000 1.095 516 S HN 0.395 nan 8.310 nan 0.000 0.450 517 E N 1.845 122.194 120.200 0.248 0.000 2.343 517 E HA 0.542 4.892 4.350 -0.001 0.000 0.278 517 E C -1.282 175.372 176.600 0.090 0.000 0.910 517 E CA -0.969 55.598 56.400 0.279 0.000 0.757 517 E CB 1.419 31.326 29.700 0.346 0.000 1.218 517 E HN 0.340 nan 8.360 nan 0.000 0.435 518 E N 1.431 121.655 120.200 0.039 0.000 2.290 518 E HA 0.161 4.511 4.350 -0.001 0.000 0.277 518 E C 0.095 176.644 176.600 -0.085 0.000 1.035 518 E CA 0.427 56.745 56.400 -0.136 0.000 0.873 518 E CB 1.111 30.647 29.700 -0.273 0.000 1.029 518 E HN 0.703 nan 8.360 nan 0.000 0.419 519 T N 0.575 115.049 114.554 -0.133 0.000 2.993 519 T HA 0.331 4.681 4.350 -0.001 0.000 0.260 519 T C 1.447 176.065 174.700 -0.137 0.000 0.939 519 T CA 0.301 62.343 62.100 -0.096 0.000 0.886 519 T CB 0.111 68.950 68.868 -0.048 0.000 1.209 519 T HN 0.270 nan 8.240 nan 0.000 0.518 520 A N 2.419 125.113 122.820 -0.210 0.000 1.872 520 A HA 0.181 4.501 4.320 -0.001 0.000 0.214 520 A C 2.405 179.864 177.584 -0.207 0.000 1.187 520 A CA 0.699 52.617 52.037 -0.198 0.000 0.614 520 A CB -0.226 18.637 19.000 -0.227 0.000 0.826 520 A HN 0.317 nan 8.150 nan 0.000 0.442 521 R N -0.368 119.935 120.500 -0.328 0.000 2.404 521 R HA 0.175 4.515 4.340 -0.001 0.000 0.237 521 R C -0.116 176.147 176.300 -0.062 0.000 0.907 521 R CA 0.766 56.722 56.100 -0.240 0.000 1.063 521 R CB 0.300 30.326 30.300 -0.458 0.000 1.134 521 R HN 0.891 nan 8.270 nan 0.000 0.529 522 E N -0.458 119.697 120.200 -0.075 0.000 2.447 522 E HA 0.118 4.468 4.350 -0.001 0.000 0.279 522 E C -1.619 174.965 176.600 -0.026 0.000 1.053 522 E CA -0.798 55.619 56.400 0.027 0.000 0.840 522 E CB 0.922 30.731 29.700 0.182 0.000 1.409 522 E HN -0.285 nan 8.360 nan 0.000 0.461 523 D N 0.595 120.966 120.400 -0.048 0.000 2.483 523 D HA 0.265 4.905 4.640 -0.001 0.000 0.220 523 D C 0.041 176.282 176.300 -0.099 0.000 1.173 523 D CA -0.044 53.910 54.000 -0.078 0.000 0.964 523 D CB 0.431 41.170 40.800 -0.103 0.000 1.046 523 D HN 0.604 nan 8.370 nan 0.000 0.517 524 G N 3.081 111.892 108.800 0.018 0.000 3.605 524 G HA2 0.037 3.996 3.960 -0.001 0.000 0.277 524 G HA3 0.037 3.996 3.960 -0.001 0.000 0.277 524 G C 0.641 175.689 174.900 0.245 0.000 1.093 524 G CA -0.486 44.707 45.100 0.156 0.000 0.821 524 G HN 0.280 nan 8.290 nan 0.000 0.532 525 R N 0.246 120.829 120.500 0.138 0.000 2.585 525 R HA 0.215 4.554 4.340 -0.001 0.000 0.275 525 R C 1.726 178.155 176.300 0.214 0.000 1.018 525 R CA 0.301 56.487 56.100 0.144 0.000 1.072 525 R CB 0.822 31.154 30.300 0.053 0.000 0.953 525 R HN 0.177 nan 8.270 nan 0.000 0.419 526 A N 2.412 125.317 122.820 0.142 0.000 1.927 526 A HA -0.254 4.065 4.320 -0.001 0.000 0.220 526 A C 2.058 179.611 177.584 -0.052 0.000 1.185 526 A CA 2.259 54.218 52.037 -0.131 0.000 0.639 526 A CB -0.660 18.143 19.000 -0.329 0.000 0.820 526 A HN 0.861 nan 8.150 nan 0.000 0.451 527 S N 0.005 115.698 115.700 -0.012 0.000 2.500 527 S HA -0.132 4.338 4.470 -0.001 0.000 0.239 527 S C 1.330 175.939 174.600 0.017 0.000 0.989 527 S CA 1.171 59.367 58.200 -0.007 0.000 0.951 527 S CB -0.596 62.602 63.200 -0.004 0.000 0.759 527 S HN 0.572 nan 8.310 nan 0.000 0.523 528 N N 1.782 120.512 118.700 0.051 0.000 2.459 528 N HA 0.000 4.740 4.740 -0.001 0.000 0.181 528 N C 1.741 177.298 175.510 0.079 0.000 1.046 528 N CA 1.133 54.214 53.050 0.051 0.000 0.904 528 N CB -0.223 38.290 38.487 0.043 0.000 0.964 528 N HN 0.647 nan 8.380 nan 0.000 0.444 529 V N -0.394 119.577 119.914 0.096 0.000 3.041 529 V HA 0.053 4.172 4.120 -0.001 0.000 0.260 529 V C 1.325 177.448 176.094 0.047 0.000 1.105 529 V CA 0.940 63.297 62.300 0.096 0.000 1.125 529 V CB -0.733 31.157 31.823 0.110 0.000 0.730 529 V HN 0.320 nan 8.190 nan 0.000 0.479 530 I N -1.253 119.333 120.570 0.027 0.000 3.707 530 I HA 0.426 4.596 4.170 -0.001 0.000 0.330 530 I C 0.930 177.052 176.117 0.008 0.000 1.572 530 I CA 0.221 61.529 61.300 0.014 0.000 1.104 530 I CB 0.186 38.191 38.000 0.009 0.000 1.240 530 I HN 0.250 nan 8.210 nan 0.000 0.475 531 D N 1.123 121.528 120.400 0.008 0.000 2.349 531 D HA 0.114 4.753 4.640 -0.001 0.000 0.214 531 D C 1.551 177.848 176.300 -0.004 0.000 1.063 531 D CA 0.593 54.592 54.000 -0.001 0.000 0.847 531 D CB 0.323 41.119 40.800 -0.007 0.000 0.933 531 D HN 0.487 nan 8.370 nan 0.000 0.513 532 G N 0.697 109.497 108.800 -0.000 0.000 2.162 532 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 532 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 532 G C 0.025 174.920 174.900 -0.007 0.000 0.976 532 G CA 0.178 45.276 45.100 -0.005 0.000 0.655 532 G HN 0.580 nan 8.290 nan 0.000 0.533 533 N N 0.475 119.174 118.700 -0.002 0.000 2.558 533 N HA 0.506 5.246 4.740 -0.001 0.000 0.242 533 N C -1.181 174.347 175.510 0.031 0.000 0.979 533 N CA -2.342 50.709 53.050 0.002 0.000 0.931 533 N CB 1.735 40.211 38.487 -0.019 0.000 1.122 533 N HN -0.047 nan 8.380 nan 0.000 0.508 534 P HA -0.123 nan 4.420 nan 0.000 0.223 534 P C 1.057 178.419 177.300 0.104 0.000 1.144 534 P CA 1.081 64.209 63.100 0.047 0.000 0.783 534 P CB 0.224 31.937 31.700 0.021 0.000 0.771 535 S N -2.120 113.660 115.700 0.134 0.000 2.515 535 S HA -0.017 4.453 4.470 -0.001 0.000 0.231 535 S C 0.906 175.585 174.600 0.132 0.000 0.987 535 S CA 0.576 58.880 58.200 0.173 0.000 0.936 535 S CB -1.327 62.022 63.200 0.248 0.000 0.766 535 S HN 0.258 nan 8.310 nan 0.000 0.528 536 T N 0.189 114.781 114.554 0.063 0.000 2.885 536 T HA 0.730 5.080 4.350 -0.001 0.000 0.285 536 T C -0.709 174.001 174.700 0.017 0.000 1.019 536 T CA -1.061 60.976 62.100 -0.105 0.000 1.010 536 T CB 1.377 70.181 68.868 -0.108 0.000 1.022 536 T HN 0.401 nan 8.240 nan 0.000 0.466 537 F N -0.813 119.189 119.950 0.086 0.000 2.626 537 F HA 0.780 5.306 4.527 -0.001 0.000 0.311 537 F C -1.008 174.916 175.800 0.205 0.000 1.088 537 F CA -2.186 55.886 58.000 0.120 0.000 0.949 537 F CB 0.763 39.808 39.000 0.074 0.000 1.322 537 F HN 0.823 nan 8.300 nan 0.000 0.461 538 W N 3.820 125.274 121.300 0.257 0.000 2.218 538 W HA 0.474 5.133 4.660 -0.001 0.000 0.326 538 W C -1.302 175.440 176.519 0.372 0.000 1.276 538 W CA -0.236 57.238 57.345 0.215 0.000 1.210 538 W CB 0.322 29.863 29.460 0.134 0.000 1.143 538 W HN 0.757 nan 8.180 nan 0.000 0.563 539 H N 4.346 123.388 119.070 -0.048 0.000 2.759 539 H HA 0.245 4.800 4.556 -0.001 0.000 0.354 539 H C -0.122 174.914 175.328 -0.486 0.000 1.074 539 H CA -0.089 55.789 56.048 -0.283 0.000 1.226 539 H CB 1.514 31.374 29.762 0.164 0.000 1.648 539 H HN 0.527 nan 8.280 nan 0.000 0.529 540 T N 1.164 115.369 114.554 -0.582 0.000 2.856 540 T HA -0.027 4.323 4.350 -0.001 0.000 0.329 540 T C 0.565 175.305 174.700 0.066 0.000 1.094 540 T CA -0.507 61.433 62.100 -0.267 0.000 1.112 540 T CB 0.752 69.235 68.868 -0.642 0.000 1.009 540 T HN 0.653 nan 8.240 nan 0.000 0.550 541 E N 1.744 121.965 120.200 0.034 0.000 2.414 541 E HA 0.036 4.386 4.350 -0.001 0.000 0.263 541 E C 0.412 176.969 176.600 -0.071 0.000 1.000 541 E CA -0.426 55.940 56.400 -0.056 0.000 0.914 541 E CB 0.178 29.862 29.700 -0.027 0.000 0.948 541 E HN 0.911 nan 8.360 nan 0.000 0.444 542 W N 3.065 124.177 121.300 -0.314 0.000 2.782 542 W HA 0.091 4.751 4.660 -0.001 0.000 0.268 542 W C 0.923 177.343 176.519 -0.165 0.000 1.043 542 W CA 0.322 57.397 57.345 -0.450 0.000 1.387 542 W CB -0.456 28.407 29.460 -0.996 0.000 0.904 542 W HN 0.478 nan 8.180 nan 0.000 0.625 543 S N 1.145 116.500 115.700 -0.575 0.000 2.603 543 S HA 0.245 4.715 4.470 -0.001 0.000 0.220 543 S C 0.549 175.051 174.600 -0.164 0.000 0.967 543 S CA -0.061 57.850 58.200 -0.482 0.000 0.920 543 S CB -0.267 62.415 63.200 -0.863 0.000 0.773 543 S HN 0.144 nan 8.310 nan 0.000 0.529 544 R N 0.279 120.730 120.500 -0.082 0.000 2.437 544 R HA 0.623 4.963 4.340 -0.001 0.000 0.310 544 R C 1.033 177.380 176.300 0.079 0.000 0.955 544 R CA 0.052 56.151 56.100 -0.003 0.000 0.851 544 R CB 1.299 31.588 30.300 -0.017 0.000 1.161 544 R HN 0.207 nan 8.270 nan 0.000 0.446 545 A N 2.462 125.336 122.820 0.090 0.000 1.986 545 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 545 A C 1.416 179.066 177.584 0.110 0.000 1.171 545 A CA 2.156 54.263 52.037 0.116 0.000 0.640 545 A CB -0.369 18.683 19.000 0.087 0.000 0.811 545 A HN 0.865 nan 8.150 nan 0.000 0.451 546 D N -0.015 120.434 120.400 0.081 0.000 2.349 546 D HA 0.313 4.952 4.640 -0.001 0.000 0.224 546 D C 0.768 177.123 176.300 0.091 0.000 1.029 546 D CA 0.437 54.481 54.000 0.074 0.000 0.879 546 D CB -0.822 40.008 40.800 0.049 0.000 0.906 546 D HN 0.474 nan 8.370 nan 0.000 0.528 547 A N 1.721 124.611 122.820 0.116 0.000 2.613 547 A HA 0.255 4.575 4.320 -0.001 0.000 0.230 547 A C -1.910 175.783 177.584 0.183 0.000 1.051 547 A CA -0.529 51.599 52.037 0.153 0.000 0.754 547 A CB -0.394 18.729 19.000 0.204 0.000 0.979 547 A HN 0.249 nan 8.150 nan 0.000 0.510 548 P HA 0.368 nan 4.420 nan 0.000 0.276 548 P C 0.448 177.898 177.300 0.251 0.000 1.244 548 P CA 0.196 63.400 63.100 0.172 0.000 0.801 548 P CB 1.077 32.860 31.700 0.138 0.000 1.006 549 G N 0.262 109.141 108.800 0.131 0.000 2.574 549 G HA2 0.331 4.291 3.960 -0.001 0.000 0.248 549 G HA3 0.331 4.291 3.960 -0.001 0.000 0.248 549 G C -0.847 173.889 174.900 -0.273 0.000 1.422 549 G CA -0.661 44.505 45.100 0.109 0.000 1.051 549 G HN 0.383 nan 8.290 nan 0.000 0.560 550 Y N 1.312 121.408 120.300 -0.340 0.000 2.379 550 Y HA 0.285 4.834 4.550 -0.001 0.000 0.337 550 Y C -1.050 174.690 175.900 -0.267 0.000 1.238 550 Y CA -0.934 56.882 58.100 -0.472 0.000 1.405 550 Y CB 0.527 38.875 38.460 -0.187 0.000 1.310 550 Y HN 0.252 nan 8.280 nan 0.000 0.569 551 P HA 0.156 nan 4.420 nan 0.000 0.274 551 P C -1.045 176.009 177.300 -0.409 0.000 1.231 551 P CA -0.010 63.024 63.100 -0.109 0.000 0.790 551 P CB 1.025 32.732 31.700 0.012 0.000 0.951 552 H N 1.011 120.032 119.070 -0.082 0.000 2.676 552 H HA 0.619 5.175 4.556 -0.001 0.000 0.352 552 H C 0.088 175.503 175.328 0.144 0.000 1.193 552 H CA -0.443 55.596 56.048 -0.014 0.000 1.243 552 H CB 2.298 31.960 29.762 -0.167 0.000 1.751 552 H HN 0.418 nan 8.280 nan 0.000 0.567 553 R N 1.003 121.719 120.500 0.360 0.000 2.561 553 R HA 0.447 4.786 4.340 -0.001 0.000 0.266 553 R C -1.842 174.428 176.300 -0.049 0.000 1.091 553 R CA -0.532 55.646 56.100 0.131 0.000 0.927 553 R CB 2.253 32.552 30.300 -0.001 0.000 1.240 553 R HN 0.673 nan 8.270 nan 0.000 0.449 554 I N 1.930 122.376 120.570 -0.208 0.000 2.656 554 I HA 0.459 4.628 4.170 -0.001 0.000 0.292 554 I C -1.488 174.501 176.117 -0.214 0.000 1.144 554 I CA -0.306 60.746 61.300 -0.414 0.000 1.038 554 I CB 2.494 39.946 38.000 -0.914 0.000 1.244 554 I HN 0.593 nan 8.210 nan 0.000 0.420 555 S N 7.074 122.679 115.700 -0.159 0.000 2.536 555 S HA 0.678 5.147 4.470 -0.001 0.000 0.287 555 S C -1.269 173.377 174.600 0.078 0.000 1.101 555 S CA -0.556 57.632 58.200 -0.021 0.000 0.950 555 S CB 1.955 65.125 63.200 -0.050 0.000 1.056 555 S HN 0.385 nan 8.310 nan 0.000 0.481 556 L N 2.760 124.089 121.223 0.177 0.000 2.322 556 L HA 0.508 4.847 4.340 -0.001 0.000 0.281 556 L C -0.271 176.761 176.870 0.269 0.000 1.014 556 L CA -0.507 54.431 54.840 0.163 0.000 0.815 556 L CB 1.433 43.559 42.059 0.112 0.000 1.247 556 L HN 0.639 nan 8.230 nan 0.000 0.421 557 D N 3.001 123.527 120.400 0.210 0.000 2.277 557 D HA 0.178 4.817 4.640 -0.001 0.000 0.249 557 D C 0.769 177.040 176.300 -0.048 0.000 1.134 557 D CA -0.042 53.982 54.000 0.040 0.000 0.863 557 D CB 1.065 41.947 40.800 0.137 0.000 1.143 557 D HN 0.465 nan 8.370 nan 0.000 0.458 558 L N 3.035 124.176 121.223 -0.136 0.000 2.554 558 L HA 0.191 4.530 4.340 -0.001 0.000 0.226 558 L C 1.799 178.666 176.870 -0.005 0.000 1.137 558 L CA 0.482 55.298 54.840 -0.039 0.000 0.863 558 L CB -0.168 41.899 42.059 0.014 0.000 0.985 558 L HN 0.784 nan 8.230 nan 0.000 0.451 559 G N -0.228 108.533 108.800 -0.066 0.000 2.176 559 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.253 559 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.253 559 G C 0.427 175.319 174.900 -0.013 0.000 0.979 559 G CA -0.136 44.954 45.100 -0.018 0.000 0.641 559 G HN 0.746 nan 8.290 nan 0.000 0.530 560 G N -2.337 106.438 108.800 -0.041 0.000 2.316 560 G HA2 0.581 4.541 3.960 -0.001 0.000 0.296 560 G HA3 0.581 4.541 3.960 -0.001 0.000 0.296 560 G C -0.699 174.101 174.900 -0.166 0.000 1.399 560 G CA 0.418 45.447 45.100 -0.118 0.000 0.833 560 G HN 0.932 nan 8.290 nan 0.000 0.565 561 T N 1.028 115.426 114.554 -0.261 0.000 2.780 561 T HA 0.634 4.984 4.350 -0.001 0.000 0.294 561 T C -0.456 174.013 174.700 -0.386 0.000 0.949 561 T CA 0.334 62.312 62.100 -0.203 0.000 1.074 561 T CB 0.621 69.409 68.868 -0.134 0.000 0.910 561 T HN 0.537 nan 8.240 nan 0.000 0.501 562 H N -0.025 119.037 119.070 -0.013 0.000 2.895 562 H HA 0.403 4.958 4.556 -0.001 0.000 0.373 562 H C -0.224 175.118 175.328 0.022 0.000 1.174 562 H CA -0.749 55.301 56.048 0.003 0.000 1.144 562 H CB 1.334 31.099 29.762 0.004 0.000 1.793 562 H HN 0.449 nan 8.280 nan 0.000 0.551 563 T N 3.532 118.174 114.554 0.147 0.000 2.779 563 T HA 0.366 4.716 4.350 -0.001 0.000 0.296 563 T C 0.271 175.037 174.700 0.109 0.000 0.938 563 T CA -0.208 61.956 62.100 0.107 0.000 1.119 563 T CB -0.580 68.329 68.868 0.068 0.000 0.891 563 T HN 0.419 nan 8.240 nan 0.000 0.526 564 I N 0.031 120.673 120.570 0.120 0.000 2.892 564 I HA 0.787 4.956 4.170 -0.001 0.000 0.306 564 I C 0.376 176.489 176.117 -0.006 0.000 1.078 564 I CA -0.980 60.373 61.300 0.088 0.000 1.032 564 I CB 2.555 40.659 38.000 0.174 0.000 1.229 564 I HN 0.520 nan 8.210 nan 0.000 0.435 565 S N 0.866 116.390 115.700 -0.292 0.000 2.976 565 S HA 0.645 5.114 4.470 -0.001 0.000 0.252 565 S C 0.061 173.943 174.600 -1.195 0.000 0.940 565 S CA 0.046 57.820 58.200 -0.709 0.000 1.283 565 S CB 0.055 63.075 63.200 -0.301 0.000 1.194 565 S HN 1.533 nan 8.310 nan 0.000 0.662 566 G N 0.758 108.965 108.800 -0.988 0.000 2.489 566 G HA2 0.535 4.494 3.960 -0.001 0.000 0.291 566 G HA3 0.535 4.494 3.960 -0.001 0.000 0.291 566 G C -2.429 172.463 174.900 -0.014 0.000 1.487 566 G CA -0.678 44.124 45.100 -0.496 0.000 0.795 566 G HN 0.510 nan 8.290 nan 0.000 0.513 567 L N -0.208 121.110 121.223 0.159 0.000 2.381 567 L HA 0.734 5.073 4.340 -0.001 0.000 0.268 567 L C -0.368 176.584 176.870 0.137 0.000 0.997 567 L CA -0.546 54.405 54.840 0.185 0.000 0.818 567 L CB 2.137 44.359 42.059 0.272 0.000 1.310 567 L HN 0.614 nan 8.230 nan 0.000 0.416 568 Q N 3.731 123.589 119.800 0.097 0.000 2.331 568 Q HA 0.319 4.659 4.340 -0.001 0.000 0.267 568 Q C -1.811 174.218 176.000 0.049 0.000 1.006 568 Q CA -0.617 55.222 55.803 0.060 0.000 0.818 568 Q CB 2.538 31.283 28.738 0.011 0.000 1.276 568 Q HN 0.613 nan 8.270 nan 0.000 0.450 569 Y N 1.144 121.319 120.300 -0.207 0.000 2.335 569 Y HA 0.403 4.953 4.550 -0.001 0.000 0.338 569 Y C -1.051 174.656 175.900 -0.322 0.000 0.977 569 Y CA -0.381 57.515 58.100 -0.341 0.000 1.114 569 Y CB 1.630 39.578 38.460 -0.853 0.000 1.182 569 Y HN 0.443 nan 8.280 nan 0.000 0.463 570 T N 7.333 121.479 114.554 -0.681 0.000 2.770 570 T HA 0.378 4.727 4.350 -0.001 0.000 0.283 570 T C -0.409 173.723 174.700 -0.948 0.000 0.988 570 T CA -0.900 60.775 62.100 -0.710 0.000 0.957 570 T CB 0.397 69.069 68.868 -0.326 0.000 0.930 570 T HN 0.789 nan 8.240 nan 0.000 0.443 571 R N 2.338 122.226 120.500 -1.021 0.000 2.784 571 R HA 0.293 4.632 4.340 -0.001 0.000 0.266 571 R C 0.364 176.489 176.300 -0.291 0.000 1.044 571 R CA -0.811 54.923 56.100 -0.611 0.000 1.151 571 R CB 0.779 30.883 30.300 -0.327 0.000 1.037 571 R HN 0.522 nan 8.270 nan 0.000 0.478 572 R N 1.019 121.389 120.500 -0.217 0.000 2.583 572 R HA -0.111 4.228 4.340 -0.001 0.000 0.274 572 R C 0.354 176.540 176.300 -0.191 0.000 0.998 572 R CA 0.343 56.302 56.100 -0.235 0.000 1.081 572 R CB 0.632 30.643 30.300 -0.481 0.000 0.940 572 R HN 0.734 nan 8.270 nan 0.000 0.413 573 Q N 2.078 121.804 119.800 -0.124 0.000 2.339 573 Q HA -0.054 4.286 4.340 -0.001 0.000 0.205 573 Q C 0.433 176.374 176.000 -0.099 0.000 0.925 573 Q CA 0.851 56.596 55.803 -0.096 0.000 0.898 573 Q CB 0.222 28.929 28.738 -0.052 0.000 1.013 573 Q HN 0.737 nan 8.270 nan 0.000 0.504 574 N N -0.373 118.262 118.700 -0.109 0.000 2.234 574 N HA 0.071 4.810 4.740 -0.001 0.000 0.227 574 N C -0.561 174.872 175.510 -0.128 0.000 1.151 574 N CA -0.123 52.874 53.050 -0.088 0.000 0.865 574 N CB 0.873 39.343 38.487 -0.029 0.000 1.066 574 N HN -0.093 nan 8.380 nan 0.000 0.515 575 S N -1.419 114.175 115.700 -0.177 0.000 2.537 575 S HA 0.689 5.158 4.470 -0.001 0.000 0.271 575 S C -1.140 173.355 174.600 -0.176 0.000 1.148 575 S CA -0.195 57.897 58.200 -0.180 0.000 0.868 575 S CB 1.051 64.120 63.200 -0.218 0.000 1.115 575 S HN 0.258 nan 8.310 nan 0.000 0.461 576 A N 2.858 125.586 122.820 -0.153 0.000 2.508 576 A HA 0.403 4.723 4.320 -0.001 0.000 0.257 576 A C 0.607 178.104 177.584 -0.144 0.000 1.226 576 A CA -0.162 51.799 52.037 -0.127 0.000 0.947 576 A CB -0.129 18.814 19.000 -0.095 0.000 1.079 576 A HN 0.636 nan 8.150 nan 0.000 0.531 577 N N 0.500 119.079 118.700 -0.203 0.000 2.214 577 N HA 0.143 4.882 4.740 -0.001 0.000 0.214 577 N C -0.418 174.987 175.510 -0.174 0.000 1.132 577 N CA 0.361 53.229 53.050 -0.303 0.000 0.856 577 N CB 0.668 38.799 38.487 -0.593 0.000 1.020 577 N HN 0.442 nan 8.380 nan 0.000 0.509 578 E N -0.229 119.901 120.200 -0.118 0.000 2.869 578 E HA 0.180 4.530 4.350 -0.001 0.000 0.207 578 E C -0.515 176.080 176.600 -0.009 0.000 0.986 578 E CA -0.158 56.196 56.400 -0.076 0.000 1.131 578 E CB 0.353 29.887 29.700 -0.275 0.000 1.098 578 E HN 0.212 nan 8.360 nan 0.000 0.459 579 Q N 0.700 120.526 119.800 0.044 0.000 2.267 579 Q HA 0.336 4.675 4.340 -0.001 0.000 0.255 579 Q C -0.136 175.990 176.000 0.210 0.000 0.923 579 Q CA -0.666 55.217 55.803 0.133 0.000 0.925 579 Q CB 1.951 30.755 28.738 0.109 0.000 1.195 579 Q HN 0.053 nan 8.270 nan 0.000 0.417 580 V N 2.148 122.235 119.914 0.290 0.000 2.655 580 V HA 0.088 4.207 4.120 -0.001 0.000 0.300 580 V C 0.575 176.810 176.094 0.236 0.000 1.044 580 V CA 0.699 63.153 62.300 0.257 0.000 1.095 580 V CB 0.708 32.623 31.823 0.154 0.000 0.952 580 V HN 1.034 nan 8.190 nan 0.000 0.485 581 A N 3.731 126.650 122.820 0.164 0.000 2.392 581 A HA 0.305 4.625 4.320 -0.001 0.000 0.217 581 A C 0.531 178.162 177.584 0.080 0.000 2.391 581 A CA -0.125 51.985 52.037 0.123 0.000 1.329 581 A CB -0.201 18.813 19.000 0.024 0.000 1.199 581 A HN 0.683 nan 8.150 nan 0.000 0.527 582 D N 0.518 120.913 120.400 -0.009 0.000 2.425 582 D HA 0.458 5.097 4.640 -0.001 0.000 0.247 582 D C -0.846 175.434 176.300 -0.033 0.000 1.147 582 D CA 0.825 54.763 54.000 -0.104 0.000 0.879 582 D CB 0.470 41.203 40.800 -0.112 0.000 1.179 582 D HN 0.424 nan 8.370 nan 0.000 0.456 583 Y N -1.441 118.720 120.300 -0.232 0.000 2.581 583 Y HA 0.656 5.206 4.550 -0.001 0.000 0.345 583 Y C -0.717 175.087 175.900 -0.160 0.000 1.036 583 Y CA -1.186 56.799 58.100 -0.192 0.000 1.042 583 Y CB 1.378 39.606 38.460 -0.386 0.000 1.289 583 Y HN 0.139 nan 8.280 nan 0.000 0.471 584 E N 2.288 122.522 120.200 0.056 0.000 2.293 584 E HA 0.626 4.975 4.350 -0.001 0.000 0.270 584 E C -1.500 175.129 176.600 0.049 0.000 0.879 584 E CA -0.872 55.491 56.400 -0.061 0.000 0.756 584 E CB 3.166 32.800 29.700 -0.109 0.000 1.208 584 E HN 0.619 nan 8.360 nan 0.000 0.428 585 I N 2.195 122.712 120.570 -0.088 0.000 2.493 585 I HA 0.404 4.573 4.170 -0.001 0.000 0.298 585 I C -1.020 174.899 176.117 -0.330 0.000 0.998 585 I CA -0.705 60.567 61.300 -0.047 0.000 1.137 585 I CB 0.905 38.944 38.000 0.065 0.000 1.310 585 I HN 0.459 nan 8.210 nan 0.000 0.445 586 Y N 2.168 122.488 120.300 0.033 0.000 2.570 586 Y HA 0.643 5.192 4.550 -0.001 0.000 0.345 586 Y C 0.359 176.410 175.900 0.251 0.000 1.014 586 Y CA -0.850 57.320 58.100 0.116 0.000 1.063 586 Y CB 2.326 40.931 38.460 0.241 0.000 1.272 586 Y HN 0.530 nan 8.280 nan 0.000 0.477 587 T N -1.836 112.945 114.554 0.379 0.000 2.930 587 T HA 0.796 5.146 4.350 -0.001 0.000 0.290 587 T C -0.743 174.013 174.700 0.093 0.000 1.052 587 T CA -0.903 61.366 62.100 0.282 0.000 1.017 587 T CB 1.910 70.844 68.868 0.110 0.000 1.137 587 T HN 0.579 nan 8.240 nan 0.000 0.511 588 S N -0.272 115.352 115.700 -0.126 0.000 2.537 588 S HA 0.517 4.986 4.470 -0.001 0.000 0.270 588 S C 0.205 174.756 174.600 -0.083 0.000 1.142 588 S CA -0.877 57.099 58.200 -0.374 0.000 0.870 588 S CB 1.316 63.782 63.200 -1.223 0.000 1.112 588 S HN 0.745 nan 8.310 nan 0.000 0.466 589 L N 2.696 123.876 121.223 -0.072 0.000 2.298 589 L HA 0.166 4.506 4.340 -0.001 0.000 0.209 589 L C 1.827 178.753 176.870 0.093 0.000 1.084 589 L CA 0.601 55.450 54.840 0.014 0.000 0.816 589 L CB -0.208 41.842 42.059 -0.015 0.000 0.967 589 L HN 0.799 nan 8.230 nan 0.000 0.460 590 N N -0.798 117.885 118.700 -0.028 0.000 2.227 590 N HA 0.067 4.806 4.740 -0.001 0.000 0.196 590 N C 1.265 176.626 175.510 -0.249 0.000 1.142 590 N CA 0.853 53.882 53.050 -0.035 0.000 0.887 590 N CB 0.872 39.306 38.487 -0.089 0.000 1.022 590 N HN 0.148 nan 8.380 nan 0.000 0.500 591 G N -0.407 107.985 108.800 -0.680 0.000 2.195 591 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.246 591 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.246 591 G C 0.894 175.482 174.900 -0.521 0.000 0.984 591 G CA 1.086 45.502 45.100 -1.140 0.000 0.633 591 G HN 0.668 nan 8.290 nan 0.000 0.525 592 T N -2.534 111.770 114.554 -0.418 0.000 2.987 592 T HA 0.361 4.711 4.350 -0.001 0.000 0.248 592 T C 0.934 175.534 174.700 -0.167 0.000 0.997 592 T CA 1.368 63.393 62.100 -0.125 0.000 1.013 592 T CB 0.343 69.161 68.868 -0.084 0.000 1.077 592 T HN 0.869 nan 8.240 nan 0.000 0.483 593 T N 1.351 115.665 114.554 -0.400 0.000 2.767 593 T HA 0.579 4.928 4.350 -0.001 0.000 0.284 593 T C -1.404 172.996 174.700 -0.500 0.000 0.973 593 T CA -0.683 61.257 62.100 -0.267 0.000 0.996 593 T CB 0.807 69.590 68.868 -0.142 0.000 0.927 593 T HN 0.399 nan 8.240 nan 0.000 0.456 594 W N 1.873 123.151 121.300 -0.036 0.000 2.532 594 W HA 0.404 5.063 4.660 -0.001 0.000 0.321 594 W C -0.417 176.164 176.519 0.104 0.000 1.037 594 W CA -0.822 56.525 57.345 0.003 0.000 1.220 594 W CB 1.123 30.494 29.460 -0.147 0.000 1.361 594 W HN 0.573 nan 8.180 nan 0.000 0.468 595 D N 2.459 123.044 120.400 0.308 0.000 2.198 595 D HA 0.636 5.276 4.640 -0.001 0.000 0.245 595 D C 0.597 177.053 176.300 0.259 0.000 1.079 595 D CA 0.045 54.175 54.000 0.216 0.000 0.854 595 D CB 1.988 42.842 40.800 0.090 0.000 1.148 595 D HN 0.621 nan 8.370 nan 0.000 0.456 596 G N 2.181 111.080 108.800 0.166 0.000 2.293 596 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.282 596 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.282 596 G C -2.870 171.977 174.900 -0.087 0.000 1.299 596 G CA -1.089 43.963 45.100 -0.079 0.000 1.018 596 G HN 0.380 nan 8.290 nan 0.000 0.478 597 P HA 0.314 nan 4.420 nan 0.000 0.264 597 P C 1.174 178.265 177.300 -0.349 0.000 1.193 597 P CA 0.430 63.149 63.100 -0.635 0.000 0.763 597 P CB 1.085 32.523 31.700 -0.437 0.000 0.810 598 V N 0.299 119.985 119.914 -0.380 0.000 3.354 598 V HA 0.505 4.624 4.120 -0.001 0.000 0.258 598 V C 0.588 176.580 176.094 -0.169 0.000 1.159 598 V CA 0.879 63.007 62.300 -0.286 0.000 1.125 598 V CB -0.767 30.744 31.823 -0.519 0.000 0.774 598 V HN 0.570 nan 8.190 nan 0.000 0.464 599 A N 0.166 122.890 122.820 -0.161 0.000 2.594 599 A HA 0.888 5.207 4.320 -0.001 0.000 0.295 599 A C -0.413 177.118 177.584 -0.089 0.000 1.071 599 A CA 0.222 52.263 52.037 0.007 0.000 0.685 599 A CB 1.740 20.895 19.000 0.259 0.000 1.285 599 A HN 1.155 nan 8.150 nan 0.000 0.405 600 S N -0.347 115.237 115.700 -0.193 0.000 2.615 600 S HA 0.983 5.452 4.470 -0.001 0.000 0.269 600 S C -0.089 174.066 174.600 -0.742 0.000 1.161 600 S CA 0.076 57.936 58.200 -0.567 0.000 0.817 600 S CB 1.099 64.064 63.200 -0.391 0.000 1.131 600 S HN 2.753 nan 8.310 nan 0.000 0.467 601 G N 0.438 108.529 108.800 -1.182 0.000 2.398 601 G HA2 0.461 4.420 3.960 -0.001 0.000 0.251 601 G HA3 0.461 4.420 3.960 -0.001 0.000 0.251 601 G C -1.971 172.427 174.900 -0.837 0.000 1.277 601 G CA -0.800 43.841 45.100 -0.765 0.000 0.927 601 G HN 0.809 nan 8.290 nan 0.000 0.477 602 R N -0.405 119.913 120.500 -0.304 0.000 2.533 602 R HA 0.589 4.928 4.340 -0.001 0.000 0.288 602 R C -1.075 175.307 176.300 0.136 0.000 1.039 602 R CA -0.673 55.371 56.100 -0.093 0.000 0.909 602 R CB 0.993 31.255 30.300 -0.064 0.000 1.195 602 R HN 0.278 nan 8.270 nan 0.000 0.438 603 F N 1.162 121.271 119.950 0.264 0.000 2.440 603 F HA 0.189 4.716 4.527 -0.001 0.000 0.323 603 F C 1.603 177.474 175.800 0.118 0.000 1.192 603 F CA 0.132 58.219 58.000 0.145 0.000 1.252 603 F CB 0.887 39.873 39.000 -0.024 0.000 1.214 603 F HN 0.499 nan 8.300 nan 0.000 0.578 604 T N -3.187 111.579 114.554 0.354 0.000 2.888 604 T HA 0.326 4.675 4.350 -0.001 0.000 0.283 604 T C 0.844 175.655 174.700 0.184 0.000 1.013 604 T CA 0.084 62.307 62.100 0.205 0.000 0.938 604 T CB 0.996 69.951 68.868 0.145 0.000 1.298 604 T HN 0.630 nan 8.240 nan 0.000 0.580 605 T N -2.106 112.513 114.554 0.108 0.000 3.122 605 T HA 0.243 4.592 4.350 -0.001 0.000 0.250 605 T C 0.938 175.656 174.700 0.030 0.000 1.067 605 T CA -0.100 62.043 62.100 0.071 0.000 0.966 605 T CB -0.486 68.406 68.868 0.040 0.000 1.002 605 T HN 0.637 nan 8.240 nan 0.000 0.542 606 S N 0.733 116.454 115.700 0.035 0.000 2.558 606 S HA 0.135 4.604 4.470 -0.001 0.000 0.293 606 S C 1.108 175.676 174.600 -0.053 0.000 1.292 606 S CA -0.455 57.742 58.200 -0.005 0.000 1.063 606 S CB -0.027 63.177 63.200 0.008 0.000 0.831 606 S HN 0.509 nan 8.310 nan 0.000 0.499 607 L N 3.739 124.919 121.223 -0.071 0.000 2.492 607 L HA 0.211 4.550 4.340 -0.001 0.000 0.223 607 L C 1.392 178.184 176.870 -0.130 0.000 1.132 607 L CA 0.338 55.114 54.840 -0.107 0.000 0.850 607 L CB -0.554 41.452 42.059 -0.088 0.000 0.966 607 L HN 0.716 nan 8.230 nan 0.000 0.454 608 A N -0.076 122.679 122.820 -0.109 0.000 2.304 608 A HA 0.490 4.809 4.320 -0.001 0.000 0.271 608 A C -2.259 175.239 177.584 -0.144 0.000 1.091 608 A CA -1.305 50.663 52.037 -0.116 0.000 0.812 608 A CB -0.242 18.706 19.000 -0.086 0.000 1.056 608 A HN -0.097 nan 8.150 nan 0.000 0.489 609 P HA 0.124 nan 4.420 nan 0.000 0.265 609 P C -0.876 176.373 177.300 -0.085 0.000 1.193 609 P CA 0.495 63.507 63.100 -0.146 0.000 0.765 609 P CB 0.322 31.950 31.700 -0.120 0.000 0.823 610 Q N 2.466 122.224 119.800 -0.070 0.000 2.333 610 Q HA 0.420 4.759 4.340 -0.001 0.000 0.267 610 Q C -0.219 175.838 176.000 0.095 0.000 1.012 610 Q CA -0.778 55.049 55.803 0.040 0.000 0.824 610 Q CB 2.284 31.075 28.738 0.088 0.000 1.290 610 Q HN 0.323 nan 8.270 nan 0.000 0.449 611 R N 0.870 121.447 120.500 0.128 0.000 2.357 611 R HA 0.589 4.929 4.340 -0.001 0.000 0.296 611 R C -0.708 175.715 176.300 0.205 0.000 1.052 611 R CA -0.353 55.827 56.100 0.133 0.000 0.988 611 R CB 0.985 31.337 30.300 0.086 0.000 1.025 611 R HN 0.537 nan 8.270 nan 0.000 0.469 612 A N 3.303 126.246 122.820 0.205 0.000 2.310 612 A HA 0.434 4.754 4.320 -0.001 0.000 0.304 612 A C -0.068 177.647 177.584 0.218 0.000 1.231 612 A CA -0.745 51.439 52.037 0.245 0.000 0.799 612 A CB 0.801 19.941 19.000 0.233 0.000 1.162 612 A HN 0.566 nan 8.150 nan 0.000 0.486 613 V N 0.587 120.599 119.914 0.163 0.000 2.966 613 V HA 1.023 5.142 4.120 -0.001 0.000 0.317 613 V C -0.535 175.667 176.094 0.180 0.000 1.070 613 V CA -0.932 61.378 62.300 0.017 0.000 1.008 613 V CB 0.982 32.795 31.823 -0.017 0.000 1.070 613 V HN 1.191 nan 8.190 nan 0.000 0.457 614 F N -0.512 119.477 119.950 0.064 0.000 2.693 614 F HA 0.906 5.432 4.527 -0.001 0.000 0.309 614 F C -3.127 172.701 175.800 0.046 0.000 1.129 614 F CA -2.522 55.508 58.000 0.051 0.000 0.948 614 F CB 0.734 39.765 39.000 0.051 0.000 1.315 614 F HN 0.415 nan 8.300 nan 0.000 0.447 615 P HA 0.321 nan 4.420 nan 0.000 0.271 615 P C -0.451 176.959 177.300 0.182 0.000 1.216 615 P CA -0.053 63.127 63.100 0.133 0.000 0.776 615 P CB 0.868 32.633 31.700 0.109 0.000 0.881 616 A N 4.139 127.013 122.820 0.089 0.000 2.466 616 A HA 0.484 4.803 4.320 -0.001 0.000 0.238 616 A C 0.610 178.278 177.584 0.139 0.000 1.074 616 A CA 0.100 52.194 52.037 0.095 0.000 0.774 616 A CB 0.012 19.033 19.000 0.035 0.000 1.015 616 A HN 0.714 nan 8.150 nan 0.000 0.498 617 R N 1.020 121.619 120.500 0.164 0.000 2.712 617 R HA 0.362 4.702 4.340 -0.001 0.000 0.272 617 R C -2.123 174.255 176.300 0.130 0.000 1.032 617 R CA -0.892 55.289 56.100 0.135 0.000 0.874 617 R CB 0.386 30.776 30.300 0.150 0.000 1.256 617 R HN 0.498 nan 8.270 nan 0.000 0.468 618 D N 0.515 120.968 120.400 0.088 0.000 2.345 618 D HA 0.632 5.272 4.640 -0.001 0.000 0.247 618 D C -0.485 175.862 176.300 0.078 0.000 1.108 618 D CA 0.306 54.350 54.000 0.074 0.000 0.894 618 D CB 1.585 42.406 40.800 0.034 0.000 1.203 618 D HN 0.702 nan 8.370 nan 0.000 0.430 619 A N 1.820 124.691 122.820 0.084 0.000 2.574 619 A HA 0.483 4.802 4.320 -0.001 0.000 0.297 619 A C 0.407 178.011 177.584 0.033 0.000 1.062 619 A CA -0.730 51.352 52.037 0.075 0.000 0.686 619 A CB 1.568 20.650 19.000 0.137 0.000 1.285 619 A HN 0.497 nan 8.150 nan 0.000 0.403 620 R N -0.286 120.194 120.500 -0.032 0.000 2.282 620 R HA 0.319 4.659 4.340 -0.001 0.000 0.195 620 R C -0.967 175.052 176.300 -0.469 0.000 0.909 620 R CA 0.731 56.680 56.100 -0.252 0.000 1.039 620 R CB 0.195 30.273 30.300 -0.369 0.000 1.015 620 R HN 0.700 nan 8.270 nan 0.000 0.513 621 Y N -0.476 119.845 120.300 0.036 0.000 2.524 621 Y HA 0.486 5.035 4.550 -0.001 0.000 0.347 621 Y C -0.654 175.396 175.900 0.249 0.000 1.005 621 Y CA -1.102 57.074 58.100 0.127 0.000 1.025 621 Y CB 2.052 40.559 38.460 0.079 0.000 1.275 621 Y HN -0.148 nan 8.280 nan 0.000 0.460 622 I N 2.373 123.241 120.570 0.497 0.000 2.686 622 I HA 0.603 4.773 4.170 -0.001 0.000 0.295 622 I C -1.424 174.939 176.117 0.410 0.000 1.114 622 I CA -0.933 60.643 61.300 0.460 0.000 1.038 622 I CB 2.039 40.229 38.000 0.316 0.000 1.238 622 I HN 0.783 nan 8.210 nan 0.000 0.420 623 R N 6.587 127.285 120.500 0.330 0.000 2.575 623 R HA 0.577 4.917 4.340 -0.001 0.000 0.293 623 R C -2.206 174.182 176.300 0.146 0.000 0.983 623 R CA -0.700 55.441 56.100 0.069 0.000 0.887 623 R CB 1.924 31.994 30.300 -0.383 0.000 1.184 623 R HN 0.561 nan 8.270 nan 0.000 0.445 624 L N 5.226 126.513 121.223 0.106 0.000 2.287 624 L HA 0.438 4.778 4.340 -0.001 0.000 0.287 624 L C -1.431 175.540 176.870 0.168 0.000 1.022 624 L CA -0.465 54.479 54.840 0.174 0.000 0.814 624 L CB 1.881 44.057 42.059 0.195 0.000 1.217 624 L HN 0.416 nan 8.230 nan 0.000 0.420 625 V N 5.335 125.379 119.914 0.216 0.000 2.370 625 V HA 0.680 4.799 4.120 -0.001 0.000 0.279 625 V C 0.491 176.735 176.094 0.251 0.000 1.029 625 V CA -0.461 61.961 62.300 0.204 0.000 0.870 625 V CB 1.107 33.053 31.823 0.205 0.000 0.984 625 V HN 0.942 nan 8.190 nan 0.000 0.451 626 A N 5.457 128.454 122.820 0.295 0.000 2.279 626 A HA 0.649 4.969 4.320 -0.001 0.000 0.306 626 A C 0.654 178.470 177.584 0.388 0.000 1.300 626 A CA -0.344 51.916 52.037 0.372 0.000 0.925 626 A CB 0.283 19.563 19.000 0.468 0.000 1.152 626 A HN 0.903 nan 8.150 nan 0.000 0.544 627 L N 2.126 123.515 121.223 0.277 0.000 2.354 627 L HA 0.124 4.463 4.340 -0.001 0.000 0.212 627 L C 1.000 177.950 176.870 0.133 0.000 1.091 627 L CA 0.901 55.857 54.840 0.193 0.000 0.828 627 L CB -0.141 41.953 42.059 0.057 0.000 0.973 627 L HN 0.801 nan 8.230 nan 0.000 0.461 628 S N -2.351 113.342 115.700 -0.011 0.000 2.596 628 S HA 0.432 4.901 4.470 -0.001 0.000 0.270 628 S C -1.021 173.210 174.600 -0.616 0.000 1.155 628 S CA -0.950 56.960 58.200 -0.484 0.000 0.827 628 S CB 2.591 65.631 63.200 -0.267 0.000 1.130 628 S HN -0.025 nan 8.310 nan 0.000 0.467 629 E N 0.087 119.782 120.200 -0.841 0.000 2.248 629 E HA 0.274 4.624 4.350 -0.001 0.000 0.272 629 E C 0.527 177.045 176.600 -0.136 0.000 1.008 629 E CA -0.576 55.621 56.400 -0.338 0.000 0.856 629 E CB 1.258 30.796 29.700 -0.269 0.000 1.120 629 E HN 0.664 nan 8.360 nan 0.000 0.397 630 Q N 0.623 120.418 119.800 -0.009 0.000 2.133 630 Q HA -0.139 4.200 4.340 -0.001 0.000 0.208 630 Q C 1.312 177.317 176.000 0.007 0.000 0.991 630 Q CA 2.269 58.082 55.803 0.017 0.000 0.867 630 Q CB -0.319 28.449 28.738 0.050 0.000 0.911 630 Q HN 0.612 nan 8.270 nan 0.000 0.417 631 T N -4.045 110.540 114.554 0.053 0.000 3.293 631 T HA 0.498 4.847 4.350 -0.001 0.000 0.276 631 T C 0.881 175.533 174.700 -0.079 0.000 1.003 631 T CA 0.267 62.393 62.100 0.044 0.000 0.916 631 T CB 0.548 69.504 68.868 0.147 0.000 1.134 631 T HN 0.396 nan 8.240 nan 0.000 0.530 632 G N 1.363 110.082 108.800 -0.135 0.000 2.153 632 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.252 632 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.252 632 G C -0.071 174.647 174.900 -0.304 0.000 0.994 632 G CA 0.179 45.134 45.100 -0.242 0.000 0.698 632 G HN 0.756 nan 8.290 nan 0.000 0.521 633 H N -0.891 118.092 119.070 -0.146 0.000 2.581 633 H HA 0.516 5.072 4.556 -0.001 0.000 0.369 633 H C 1.498 176.781 175.328 -0.075 0.000 1.351 633 H CA 0.562 56.539 56.048 -0.120 0.000 1.434 633 H CB 0.705 30.408 29.762 -0.099 0.000 1.558 633 H HN 0.108 nan 8.280 nan 0.000 0.608 634 K N 0.056 120.401 120.400 -0.092 0.000 2.137 634 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 634 K C -0.404 176.253 176.600 0.094 0.000 1.052 634 K CA 0.763 56.962 56.287 -0.146 0.000 0.961 634 K CB 0.278 32.444 32.500 -0.557 0.000 0.741 634 K HN 0.376 nan 8.250 nan 0.000 0.452 635 Y N 0.056 120.540 120.300 0.306 0.000 2.376 635 Y HA 0.524 5.073 4.550 -0.001 0.000 0.325 635 Y C 0.040 175.864 175.900 -0.127 0.000 1.199 635 Y CA -1.732 56.352 58.100 -0.028 0.000 1.206 635 Y CB 1.349 39.766 38.460 -0.071 0.000 1.229 635 Y HN -0.050 nan 8.280 nan 0.000 0.480 636 A N 1.065 123.602 122.820 -0.472 0.000 2.342 636 A HA 0.934 5.253 4.320 -0.001 0.000 0.323 636 A C -1.048 176.053 177.584 -0.805 0.000 1.125 636 A CA -0.455 51.305 52.037 -0.461 0.000 0.785 636 A CB 0.752 19.436 19.000 -0.525 0.000 1.221 636 A HN 0.923 nan 8.150 nan 0.000 0.463 637 A N 1.381 123.894 122.820 -0.512 0.000 2.422 637 A HA 0.737 5.057 4.320 -0.001 0.000 0.302 637 A C -1.240 176.295 177.584 -0.082 0.000 1.041 637 A CA -0.476 51.290 52.037 -0.452 0.000 0.708 637 A CB 1.574 20.239 19.000 -0.559 0.000 1.257 637 A HN 1.334 nan 8.150 nan 0.000 0.414 638 V N 1.726 121.725 119.914 0.142 0.000 2.623 638 V HA 0.551 4.671 4.120 -0.001 0.000 0.304 638 V C 0.939 177.178 176.094 0.243 0.000 1.054 638 V CA 0.153 62.603 62.300 0.250 0.000 0.882 638 V CB 1.356 33.487 31.823 0.514 0.000 1.002 638 V HN 1.299 nan 8.190 nan 0.000 0.424 639 A N 3.360 126.231 122.820 0.086 0.000 1.903 639 A HA 0.253 4.572 4.320 -0.001 0.000 0.213 639 A C 0.728 178.359 177.584 0.078 0.000 1.185 639 A CA 1.026 53.137 52.037 0.123 0.000 0.628 639 A CB 0.133 19.156 19.000 0.039 0.000 0.830 639 A HN 0.682 nan 8.150 nan 0.000 0.446 640 E N -1.108 119.096 120.200 0.006 0.000 2.343 640 E HA 0.582 4.932 4.350 -0.001 0.000 0.278 640 E C -1.795 174.816 176.600 0.018 0.000 0.910 640 E CA -0.306 56.100 56.400 0.009 0.000 0.757 640 E CB 1.729 31.410 29.700 -0.031 0.000 1.218 640 E HN 0.261 nan 8.360 nan 0.000 0.435 641 L N 2.058 123.311 121.223 0.050 0.000 2.341 641 L HA 0.445 4.785 4.340 -0.001 0.000 0.278 641 L C 0.086 176.980 176.870 0.040 0.000 1.005 641 L CA -0.675 54.202 54.840 0.063 0.000 0.818 641 L CB 1.512 43.628 42.059 0.094 0.000 1.259 641 L HN 0.231 nan 8.230 nan 0.000 0.418 642 E N 2.766 122.988 120.200 0.036 0.000 2.227 642 E HA 0.562 4.912 4.350 -0.001 0.000 0.268 642 E C -1.182 175.445 176.600 0.046 0.000 0.907 642 E CA -0.737 55.678 56.400 0.026 0.000 0.786 642 E CB 3.287 32.990 29.700 0.005 0.000 1.191 642 E HN 0.159 nan 8.360 nan 0.000 0.411 643 V N 1.885 121.819 119.914 0.033 0.000 2.409 643 V HA 0.185 4.305 4.120 -0.001 0.000 0.291 643 V C -0.042 176.056 176.094 0.006 0.000 1.020 643 V CA -0.855 61.472 62.300 0.045 0.000 0.848 643 V CB 1.447 33.306 31.823 0.061 0.000 0.990 643 V HN 0.529 nan 8.190 nan 0.000 0.430 644 E N 3.314 123.508 120.200 -0.010 0.000 2.290 644 E HA 0.585 4.934 4.350 -0.001 0.000 0.277 644 E C 0.495 177.068 176.600 -0.045 0.000 1.035 644 E CA 0.180 56.557 56.400 -0.038 0.000 0.873 644 E CB 1.327 30.985 29.700 -0.070 0.000 1.029 644 E HN 0.962 nan 8.360 nan 0.000 0.419 645 G N 2.366 111.148 108.800 -0.030 0.000 2.321 645 G HA2 0.070 4.029 3.960 -0.001 0.000 0.296 645 G HA3 0.070 4.029 3.960 -0.001 0.000 0.296 645 G C -1.547 173.350 174.900 -0.005 0.000 1.287 645 G CA -0.945 44.148 45.100 -0.011 0.000 0.846 645 G HN 0.411 nan 8.290 nan 0.000 0.508 646 Q N 0.543 120.364 119.800 0.035 0.000 2.340 646 Q HA 0.461 4.800 4.340 -0.001 0.000 0.259 646 Q C 0.640 176.702 176.000 0.105 0.000 0.964 646 Q CA -0.626 55.210 55.803 0.055 0.000 0.900 646 Q CB 1.720 30.496 28.738 0.064 0.000 1.228 646 Q HN 0.634 nan 8.270 nan 0.000 0.449 647 R N 0.000 120.529 120.500 0.048 0.000 2.786 647 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 647 R CA 0.000 56.120 56.100 0.034 0.000 0.921 647 R CB 0.000 30.274 30.300 -0.044 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535