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 2c9k_1_A DATA FIRST_RESID 68 DATA SEQUENCE GELSAYTIVV GTVLTGFGFT TPLGLALIGF GTLIPVLFPA QDQSNTWSDF DATA SEQUENCE ITQTKNIIKK EIASTYISNA NKILNRSFNV ISTYHNHLKT WENNPNPQNT DATA SEQUENCE QDVRTQIQLV HYHFQNVIPE LVNScPPNPS DcDYYNILVL SSYAQAANLH DATA SEQUENCE LTVLNQAVKF EAYLKNNXXX XXXXXXXTAI DYYPVLTKAI EDYTNYCVTT DATA SEQUENCE YKKGLNLIKT TPDSNLDGNI NWNTYNTYRT KMTTAVLDLV ALFPNYDVGK DATA SEQUENCE YPIGVQSELT REIYQVLNFE ESPYKYYDFQ YQEDSLTRRP HLFTWLDSLN DATA SEQUENCE FYEKAQTTPN NFFTSHYNMF HYTLDNISQK SSVFGNHNVT DKLKSLGLAT DATA SEQUENCE NIYIFLLNVI SLDNKYLNDY NNISKMDFFI TNGTRLLEKE LTAGSGQITY DATA SEQUENCE DVNKNIFGLP ILKRREEXXX XTLFPTYDNY SHILSFIKSL SIPATYKTQV DATA SEQUENCE YTFAWTHSSV DPKNTIYTHL TTQIPAVKAN SLGTASKVVQ GPGHTGGDLI DATA SEQUENCE DFKDHFKITC QHSNFQQSYF IRIRYASNGS ANTRAVINLS IPGVAELGMA DATA SEQUENCE LNPTFSGTDY TNLKYKDFQY LEFSNEVKFA PNQNISLVFN RSDVYTNTTV DATA SEQUENCE LIDKIEFLPI TR 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 68 G HA2 0.000 nan 3.960 nan 0.000 0.244 68 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 68 G C 0.000 174.833 174.900 -0.112 0.000 0.946 68 G CA 0.000 45.061 45.100 -0.066 0.000 0.502 69 E N 0.470 120.608 120.200 -0.104 0.000 2.376 69 E HA 0.567 4.916 4.350 -0.002 0.000 0.236 69 E C -1.611 174.864 176.600 -0.208 0.000 0.962 69 E CA -0.727 55.584 56.400 -0.148 0.000 0.768 69 E CB 1.026 30.701 29.700 -0.042 0.000 1.236 69 E HN 0.822 nan 8.360 nan 0.000 0.431 70 L N 3.409 124.431 121.223 -0.334 0.000 3.630 70 L HA 0.092 4.431 4.340 -0.002 0.000 0.241 70 L C 0.355 176.948 176.870 -0.463 0.000 0.991 70 L CA 0.385 54.988 54.840 -0.395 0.000 1.324 70 L CB 0.707 42.482 42.059 -0.473 0.000 1.874 70 L HN 0.377 nan 8.230 nan 0.000 0.683 71 S N 1.763 117.204 115.700 -0.432 0.000 2.522 71 S HA 0.065 4.534 4.470 -0.002 0.000 0.227 71 S C 1.702 176.175 174.600 -0.212 0.000 0.986 71 S CA 0.519 58.511 58.200 -0.347 0.000 0.929 71 S CB 0.055 63.031 63.200 -0.374 0.000 0.769 71 S HN 0.787 nan 8.310 nan 0.000 0.529 72 A N 1.533 124.221 122.820 -0.220 0.000 1.883 72 A HA -0.025 4.294 4.320 -0.002 0.000 0.217 72 A C 1.863 179.445 177.584 -0.003 0.000 1.186 72 A CA 1.418 53.407 52.037 -0.080 0.000 0.624 72 A CB -1.330 17.696 19.000 0.043 0.000 0.822 72 A HN 0.675 nan 8.150 nan 0.000 0.444 73 Y N 0.729 120.950 120.300 -0.131 0.000 2.040 73 Y HA -0.316 4.232 4.550 -0.003 0.000 0.275 73 Y C 3.208 179.055 175.900 -0.088 0.000 1.171 73 Y CA 1.664 59.664 58.100 -0.167 0.000 1.123 73 Y CB -0.842 37.471 38.460 -0.246 0.000 0.963 73 Y HN 0.530 nan 8.280 nan 0.000 0.493 74 T N -1.656 112.955 114.554 0.096 0.000 2.951 74 T HA -0.096 4.253 4.350 -0.002 0.000 0.268 74 T C 1.604 176.327 174.700 0.037 0.000 1.073 74 T CA 1.159 63.303 62.100 0.073 0.000 1.134 74 T CB -0.580 68.315 68.868 0.044 0.000 0.884 74 T HN 0.317 nan 8.240 nan 0.000 0.479 75 I N 0.757 121.332 120.570 0.008 0.000 2.277 75 I HA -0.054 4.115 4.170 -0.002 0.000 0.243 75 I C 2.609 178.741 176.117 0.024 0.000 1.094 75 I CA 0.551 61.852 61.300 0.001 0.000 1.393 75 I CB -0.294 37.698 38.000 -0.014 0.000 1.078 75 I HN 0.080 nan 8.210 nan 0.000 0.417 76 V N 0.684 120.629 119.914 0.051 0.000 2.392 76 V HA -0.241 3.877 4.120 -0.002 0.000 0.249 76 V C 2.406 178.527 176.094 0.044 0.000 1.059 76 V CA 1.545 63.886 62.300 0.069 0.000 1.051 76 V CB -0.439 31.457 31.823 0.121 0.000 0.658 76 V HN 0.251 nan 8.190 nan 0.000 0.455 77 V N 0.716 120.651 119.914 0.034 0.000 2.453 77 V HA -0.101 4.018 4.120 -0.002 0.000 0.247 77 V C 2.608 178.700 176.094 -0.004 0.000 1.048 77 V CA 1.927 64.226 62.300 -0.002 0.000 1.049 77 V CB -1.220 30.595 31.823 -0.014 0.000 0.672 77 V HN 0.601 nan 8.190 nan 0.000 0.457 78 G N -0.152 108.661 108.800 0.021 0.000 2.422 78 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.218 78 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.218 78 G C 1.671 176.559 174.900 -0.019 0.000 1.146 78 G CA 1.531 46.637 45.100 0.010 0.000 0.769 78 G HN 0.482 nan 8.290 nan 0.000 0.547 79 T N 0.789 115.333 114.554 -0.017 0.000 2.821 79 T HA -0.063 4.286 4.350 -0.002 0.000 0.267 79 T C 2.541 177.194 174.700 -0.078 0.000 1.046 79 T CA 1.046 63.127 62.100 -0.033 0.000 1.139 79 T CB -0.144 68.717 68.868 -0.012 0.000 0.871 79 T HN 0.073 nan 8.240 nan 0.000 0.454 80 V N 1.541 121.410 119.914 -0.075 0.000 2.307 80 V HA -0.107 4.011 4.120 -0.002 0.000 0.245 80 V C 2.498 178.516 176.094 -0.126 0.000 1.045 80 V CA 1.391 63.601 62.300 -0.150 0.000 1.024 80 V CB -0.725 31.083 31.823 -0.024 0.000 0.651 80 V HN 0.405 nan 8.190 nan 0.000 0.449 81 L N -0.182 121.021 121.223 -0.032 0.000 1.990 81 L HA -0.231 4.108 4.340 -0.002 0.000 0.213 81 L C 2.647 179.490 176.870 -0.045 0.000 1.072 81 L CA 2.264 57.102 54.840 -0.003 0.000 0.755 81 L CB -0.965 41.066 42.059 -0.047 0.000 0.889 81 L HN 0.351 nan 8.230 nan 0.000 0.432 82 T N -0.723 113.781 114.554 -0.082 0.000 2.867 82 T HA -0.113 4.235 4.350 -0.002 0.000 0.268 82 T C 1.761 176.367 174.700 -0.157 0.000 1.057 82 T CA 1.171 63.205 62.100 -0.110 0.000 1.136 82 T CB -0.490 68.337 68.868 -0.069 0.000 0.874 82 T HN 0.583 nan 8.240 nan 0.000 0.466 83 G N 0.406 109.093 108.800 -0.188 0.000 2.422 83 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.218 83 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.218 83 G C 1.008 175.718 174.900 -0.316 0.000 1.140 83 G CA 0.056 45.006 45.100 -0.251 0.000 0.775 83 G HN 0.523 nan 8.290 nan 0.000 0.545 84 F N 1.706 121.560 119.950 -0.159 0.000 2.816 84 F HA 0.172 4.698 4.527 -0.002 0.000 0.302 84 F C 2.504 178.161 175.800 -0.237 0.000 1.178 84 F CA -0.063 57.832 58.000 -0.176 0.000 1.421 84 F CB 0.243 39.102 39.000 -0.235 0.000 1.114 84 F HN 0.173 nan 8.300 nan 0.000 0.573 85 G N 0.415 109.039 108.800 -0.293 0.000 2.442 85 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.219 85 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.219 85 G C 0.602 175.117 174.900 -0.641 0.000 1.141 85 G CA 0.879 45.594 45.100 -0.641 0.000 0.763 85 G HN 0.273 nan 8.290 nan 0.000 0.554 86 F N -1.305 118.667 119.950 0.037 0.000 3.036 86 F HA 0.729 5.255 4.527 -0.002 0.000 0.274 86 F C 0.271 176.113 175.800 0.069 0.000 1.474 86 F CA -0.577 57.455 58.000 0.053 0.000 0.987 86 F CB 0.692 39.721 39.000 0.048 0.000 1.877 86 F HN -0.153 nan 8.300 nan 0.000 0.421 87 T N 0.291 115.044 114.554 0.332 0.000 4.328 87 T HA 0.492 4.841 4.350 -0.002 0.000 0.356 87 T C -1.487 173.296 174.700 0.138 0.000 0.889 87 T CA -0.349 61.874 62.100 0.204 0.000 0.998 87 T CB -0.125 68.845 68.868 0.170 0.000 1.122 87 T HN 0.982 nan 8.240 nan 0.000 0.467 88 T N 3.059 117.675 114.554 0.103 0.000 2.864 88 T HA 0.609 4.958 4.350 -0.002 0.000 0.299 88 T C -2.494 172.214 174.700 0.014 0.000 1.166 88 T CA -1.620 60.495 62.100 0.025 0.000 1.007 88 T CB 1.627 70.488 68.868 -0.012 0.000 1.219 88 T HN 0.093 nan 8.240 nan 0.000 0.506 89 P HA 0.032 nan 4.420 nan 0.000 0.224 89 P C 0.586 177.975 177.300 0.148 0.000 1.142 89 P CA 0.728 63.787 63.100 -0.068 0.000 0.778 89 P CB -0.069 31.352 31.700 -0.466 0.000 0.764 90 L N -3.299 117.996 121.223 0.119 0.000 2.858 90 L HA 0.373 4.712 4.340 -0.002 0.000 0.251 90 L C 1.487 178.424 176.870 0.111 0.000 1.149 90 L CA 0.287 55.199 54.840 0.120 0.000 0.955 90 L CB -0.900 41.239 42.059 0.134 0.000 1.289 90 L HN -0.046 nan 8.230 nan 0.000 0.542 91 G N 0.496 109.359 108.800 0.104 0.000 2.566 91 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.308 91 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.308 91 G C 0.482 175.422 174.900 0.066 0.000 1.317 91 G CA 0.257 45.418 45.100 0.101 0.000 0.930 91 G HN 0.132 nan 8.290 nan 0.000 0.547 92 L N 1.718 122.948 121.223 0.012 0.000 2.675 92 L HA 0.385 4.724 4.340 -0.002 0.000 0.239 92 L C 2.777 179.542 176.870 -0.174 0.000 1.151 92 L CA 1.824 56.615 54.840 -0.080 0.000 0.905 92 L CB -0.993 40.955 42.059 -0.186 0.000 1.057 92 L HN 0.794 nan 8.230 nan 0.000 0.435 93 A N -0.188 122.585 122.820 -0.077 0.000 1.831 93 A HA -0.118 4.201 4.320 -0.002 0.000 0.213 93 A C 2.091 179.868 177.584 0.322 0.000 1.223 93 A CA 1.106 53.132 52.037 -0.018 0.000 0.604 93 A CB -0.858 18.416 19.000 0.457 0.000 0.878 93 A HN 0.277 nan 8.150 nan 0.000 0.450 94 L N -0.593 120.827 121.223 0.329 0.000 2.103 94 L HA -0.218 4.121 4.340 -0.002 0.000 0.215 94 L C 1.866 178.952 176.870 0.361 0.000 1.080 94 L CA 2.038 57.093 54.840 0.358 0.000 0.764 94 L CB -0.214 41.937 42.059 0.154 0.000 0.890 94 L HN 0.414 nan 8.230 nan 0.000 0.435 95 I N -1.559 119.124 120.570 0.187 0.000 2.899 95 I HA 0.130 4.299 4.170 -0.002 0.000 0.257 95 I C 2.519 178.690 176.117 0.090 0.000 1.115 95 I CA 1.104 62.484 61.300 0.134 0.000 1.451 95 I CB -2.124 35.928 38.000 0.087 0.000 1.251 95 I HN 0.247 nan 8.210 nan 0.000 0.456 96 G N 0.575 109.379 108.800 0.006 0.000 2.475 96 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.220 96 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.220 96 G C 1.808 176.698 174.900 -0.018 0.000 1.125 96 G CA 0.583 45.645 45.100 -0.064 0.000 0.755 96 G HN 0.274 nan 8.290 nan 0.000 0.565 97 F N 1.097 121.040 119.950 -0.011 0.000 2.206 97 F HA 0.046 4.571 4.527 -0.004 0.000 0.298 97 F C 2.916 178.599 175.800 -0.195 0.000 1.090 97 F CA 0.244 58.163 58.000 -0.135 0.000 1.323 97 F CB -0.015 38.788 39.000 -0.328 0.000 1.028 97 F HN 0.241 nan 8.300 nan 0.000 0.492 98 G N -0.813 108.030 108.800 0.072 0.000 2.499 98 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.221 98 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.221 98 G C 1.489 176.444 174.900 0.092 0.000 1.109 98 G CA 1.691 46.845 45.100 0.091 0.000 0.749 98 G HN 0.280 nan 8.290 nan 0.000 0.568 99 T N 0.170 114.781 114.554 0.096 0.000 3.045 99 T HA 0.179 4.528 4.350 -0.002 0.000 0.239 99 T C 2.405 177.172 174.700 0.112 0.000 1.008 99 T CA -0.036 62.115 62.100 0.084 0.000 1.143 99 T CB -0.058 68.845 68.868 0.059 0.000 0.894 99 T HN 0.107 nan 8.240 nan 0.000 0.451 100 L N 1.041 122.357 121.223 0.154 0.000 2.012 100 L HA -0.088 4.251 4.340 -0.002 0.000 0.210 100 L C 2.453 179.488 176.870 0.274 0.000 1.073 100 L CA 1.454 56.422 54.840 0.212 0.000 0.748 100 L CB -0.718 41.513 42.059 0.287 0.000 0.891 100 L HN 0.257 nan 8.230 nan 0.000 0.431 101 I N -0.292 120.475 120.570 0.329 0.000 2.127 101 I HA -0.232 3.937 4.170 -0.002 0.000 0.241 101 I C -0.312 176.027 176.117 0.369 0.000 1.075 101 I CA 1.597 63.164 61.300 0.445 0.000 1.334 101 I CB -1.538 36.611 38.000 0.247 0.000 1.040 101 I HN 0.210 nan 8.210 nan 0.000 0.405 102 P HA -0.093 nan 4.420 nan 0.000 0.218 102 P C 1.873 179.194 177.300 0.035 0.000 1.149 102 P CA 1.087 64.255 63.100 0.113 0.000 0.817 102 P CB 0.087 31.837 31.700 0.083 0.000 0.785 103 V N -1.059 118.872 119.914 0.029 0.000 2.591 103 V HA -0.100 4.019 4.120 -0.002 0.000 0.249 103 V C 2.101 178.092 176.094 -0.172 0.000 1.053 103 V CA 1.471 63.744 62.300 -0.044 0.000 1.068 103 V CB -0.825 30.997 31.823 -0.001 0.000 0.689 103 V HN 0.077 nan 8.190 nan 0.000 0.462 104 L N -1.745 119.342 121.223 -0.226 0.000 2.554 104 L HA 0.264 4.603 4.340 -0.002 0.000 0.225 104 L C 0.092 176.247 176.870 -1.192 0.000 1.104 104 L CA 0.566 54.977 54.840 -0.716 0.000 0.866 104 L CB 0.239 41.914 42.059 -0.639 0.000 1.047 104 L HN 0.280 nan 8.230 nan 0.000 0.468 105 F N -0.578 119.260 119.950 -0.187 0.000 2.708 105 F HA 0.295 4.822 4.527 0.001 0.000 0.344 105 F C -1.796 173.823 175.800 -0.302 0.000 1.447 105 F CA -1.292 56.533 58.000 -0.291 0.000 1.140 105 F CB 0.488 39.331 39.000 -0.262 0.000 1.657 105 F HN -0.197 nan 8.300 nan 0.000 0.598 106 P HA -0.042 nan 4.420 nan 0.000 0.223 106 P C 0.791 178.002 177.300 -0.148 0.000 1.151 106 P CA 0.970 63.995 63.100 -0.125 0.000 0.787 106 P CB 0.551 32.169 31.700 -0.135 0.000 0.788 107 A N -1.094 121.608 122.820 -0.198 0.000 2.749 107 A HA 0.372 4.691 4.320 -0.002 0.000 0.299 107 A C 0.183 177.592 177.584 -0.291 0.000 1.105 107 A CA -0.318 51.604 52.037 -0.192 0.000 0.987 107 A CB -0.169 18.741 19.000 -0.149 0.000 1.180 107 A HN -0.099 nan 8.150 nan 0.000 0.528 108 Q N 0.374 119.857 119.800 -0.529 0.000 1.362 108 Q HA -0.241 4.098 4.340 -0.002 0.000 0.377 108 Q C 0.299 175.845 176.000 -0.757 0.000 0.972 108 Q CA 2.018 57.119 55.803 -1.171 0.000 0.658 108 Q CB -0.759 27.581 28.738 -0.664 0.000 4.537 108 Q HN 0.765 nan 8.270 nan 0.000 0.581 109 D N 0.900 121.043 120.400 -0.428 0.000 2.346 109 D HA -0.038 4.601 4.640 -0.002 0.000 0.248 109 D C 0.391 176.688 176.300 -0.004 0.000 1.173 109 D CA 0.921 54.902 54.000 -0.033 0.000 0.878 109 D CB -0.506 40.374 40.800 0.134 0.000 0.919 109 D HN 0.613 nan 8.370 nan 0.000 0.513 110 Q N -1.162 118.593 119.800 -0.075 0.000 2.139 110 Q HA 0.290 4.629 4.340 -0.002 0.000 0.301 110 Q C -0.636 175.313 176.000 -0.085 0.000 0.874 110 Q CA -0.623 55.151 55.803 -0.048 0.000 1.116 110 Q CB 0.260 28.970 28.738 -0.046 0.000 1.278 110 Q HN -0.102 nan 8.270 nan 0.000 0.426 111 S N 0.954 116.585 115.700 -0.115 0.000 2.686 111 S HA 0.357 4.826 4.470 -0.002 0.000 0.270 111 S C 0.419 174.896 174.600 -0.206 0.000 1.194 111 S CA -0.658 57.424 58.200 -0.196 0.000 0.990 111 S CB 0.506 63.526 63.200 -0.300 0.000 1.029 111 S HN 0.409 nan 8.310 nan 0.000 0.560 112 N N 0.154 118.693 118.700 -0.269 0.000 2.299 112 N HA 0.135 4.874 4.740 -0.002 0.000 0.246 112 N C 0.485 175.766 175.510 -0.382 0.000 1.254 112 N CA 0.070 52.980 53.050 -0.233 0.000 0.879 112 N CB 0.472 38.876 38.487 -0.138 0.000 1.214 112 N HN 0.403 nan 8.380 nan 0.000 0.510 113 T N -0.332 113.800 114.554 -0.704 0.000 2.652 113 T HA -0.142 4.207 4.350 -0.002 0.000 0.267 113 T C 1.531 175.564 174.700 -1.112 0.000 1.039 113 T CA 1.370 62.814 62.100 -1.094 0.000 1.153 113 T CB -0.202 67.668 68.868 -1.663 0.000 0.863 113 T HN 0.462 nan 8.240 nan 0.000 0.428 114 W N 1.391 122.397 121.300 -0.490 0.000 2.374 114 W HA -0.053 4.605 4.660 -0.003 0.000 0.288 114 W C 2.928 179.396 176.519 -0.086 0.000 1.218 114 W CA 0.131 57.303 57.345 -0.288 0.000 1.245 114 W CB -0.536 28.851 29.460 -0.123 0.000 1.126 114 W HN 0.142 nan 8.180 nan 0.000 0.545 115 S N 0.591 116.335 115.700 0.073 0.000 2.348 115 S HA -0.197 4.272 4.470 -0.002 0.000 0.221 115 S C 1.324 175.979 174.600 0.092 0.000 1.033 115 S CA 1.664 59.917 58.200 0.090 0.000 1.010 115 S CB -0.604 62.618 63.200 0.037 0.000 0.891 115 S HN 0.221 nan 8.310 nan 0.000 0.442 116 D N 0.942 121.354 120.400 0.021 0.000 2.123 116 D HA -0.086 4.553 4.640 -0.002 0.000 0.196 116 D C 1.687 178.154 176.300 0.280 0.000 0.992 116 D CA 1.058 55.110 54.000 0.087 0.000 0.833 116 D CB -0.441 40.363 40.800 0.007 0.000 0.954 116 D HN 0.436 nan 8.370 nan 0.000 0.455 117 F N 0.672 120.657 119.950 0.058 0.000 2.102 117 F HA -0.118 4.408 4.527 -0.002 0.000 0.298 117 F C 2.518 178.408 175.800 0.150 0.000 1.105 117 F CA 0.290 58.388 58.000 0.162 0.000 1.239 117 F CB -0.095 39.078 39.000 0.288 0.000 0.991 117 F HN -0.085 nan 8.300 nan 0.000 0.474 118 I N -0.447 120.321 120.570 0.329 0.000 2.233 118 I HA -0.229 3.940 4.170 -0.002 0.000 0.243 118 I C 2.285 178.484 176.117 0.137 0.000 1.093 118 I CA 1.298 62.708 61.300 0.183 0.000 1.380 118 I CB -0.844 37.242 38.000 0.144 0.000 1.067 118 I HN 0.078 nan 8.210 nan 0.000 0.413 119 T N 0.070 114.709 114.554 0.141 0.000 2.746 119 T HA -0.278 4.070 4.350 -0.002 0.000 0.267 119 T C 1.871 176.639 174.700 0.113 0.000 1.039 119 T CA 1.533 63.702 62.100 0.114 0.000 1.142 119 T CB -0.293 68.633 68.868 0.097 0.000 0.866 119 T HN 0.381 nan 8.240 nan 0.000 0.444 120 Q N 0.156 120.033 119.800 0.128 0.000 2.084 120 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 120 Q C 2.310 178.381 176.000 0.118 0.000 0.978 120 Q CA 1.573 57.445 55.803 0.115 0.000 0.844 120 Q CB -0.198 28.611 28.738 0.119 0.000 0.898 120 Q HN 0.428 nan 8.270 nan 0.000 0.426 121 T N 0.815 115.448 114.554 0.131 0.000 2.708 121 T HA -0.156 4.193 4.350 -0.002 0.000 0.266 121 T C 1.630 176.403 174.700 0.121 0.000 1.037 121 T CA 1.453 63.631 62.100 0.131 0.000 1.146 121 T CB -0.175 68.762 68.868 0.115 0.000 0.865 121 T HN 0.277 nan 8.240 nan 0.000 0.435 122 K N 0.915 121.375 120.400 0.100 0.000 2.209 122 K HA -0.102 4.217 4.320 -0.002 0.000 0.204 122 K C 1.812 178.497 176.600 0.142 0.000 1.048 122 K CA 1.000 57.367 56.287 0.133 0.000 0.940 122 K CB -0.082 32.489 32.500 0.118 0.000 0.729 122 K HN 0.185 nan 8.250 nan 0.000 0.451 123 N N 1.095 119.863 118.700 0.114 0.000 2.396 123 N HA -0.117 4.622 4.740 -0.002 0.000 0.180 123 N C 1.791 177.356 175.510 0.092 0.000 1.028 123 N CA 1.117 54.226 53.050 0.098 0.000 0.893 123 N CB -0.035 38.503 38.487 0.085 0.000 0.967 123 N HN 0.434 nan 8.380 nan 0.000 0.440 124 I N -1.860 118.769 120.570 0.098 0.000 2.731 124 I HA 0.123 4.292 4.170 -0.002 0.000 0.260 124 I C 1.673 177.832 176.117 0.071 0.000 1.138 124 I CA 0.963 62.315 61.300 0.085 0.000 1.461 124 I CB -0.139 37.922 38.000 0.102 0.000 1.128 124 I HN -0.136 nan 8.210 nan 0.000 0.438 125 I N 1.035 121.657 120.570 0.086 0.000 3.059 125 I HA -0.014 4.155 4.170 -0.002 0.000 0.270 125 I C 0.680 176.832 176.117 0.057 0.000 1.238 125 I CA 0.251 61.586 61.300 0.058 0.000 1.478 125 I CB -0.392 37.690 38.000 0.137 0.000 1.097 125 I HN 0.196 nan 8.210 nan 0.000 0.455 126 K N 1.916 122.370 120.400 0.091 0.000 3.078 126 K HA -0.240 4.079 4.320 -0.002 0.000 0.261 126 K C 0.204 176.822 176.600 0.030 0.000 0.947 126 K CA 0.767 57.097 56.287 0.072 0.000 0.702 126 K CB -1.339 31.195 32.500 0.056 0.000 1.318 126 K HN 0.411 nan 8.250 nan 0.000 0.473 127 K N 1.096 121.513 120.400 0.027 0.000 2.258 127 K HA 0.338 4.657 4.320 -0.002 0.000 0.236 127 K C -0.579 176.049 176.600 0.046 0.000 1.008 127 K CA -0.746 55.442 56.287 -0.166 0.000 0.869 127 K CB 1.359 33.382 32.500 -0.797 0.000 1.171 127 K HN 0.099 nan 8.250 nan 0.000 0.447 128 E N 1.955 122.164 120.200 0.015 0.000 2.312 128 E HA 0.501 4.850 4.350 -0.002 0.000 0.267 128 E C -0.818 175.904 176.600 0.204 0.000 0.894 128 E CA -0.943 55.551 56.400 0.157 0.000 0.773 128 E CB 2.224 31.981 29.700 0.096 0.000 1.241 128 E HN 0.594 nan 8.360 nan 0.000 0.432 129 I N -2.800 117.911 120.570 0.234 0.000 2.984 129 I HA 0.645 4.814 4.170 -0.002 0.000 0.303 129 I C -0.863 175.407 176.117 0.256 0.000 1.381 129 I CA -1.319 60.117 61.300 0.228 0.000 0.988 129 I CB 1.775 39.895 38.000 0.200 0.000 1.307 129 I HN 0.541 nan 8.210 nan 0.000 0.460 130 A N 2.802 125.815 122.820 0.321 0.000 2.548 130 A HA 0.298 4.617 4.320 -0.002 0.000 0.247 130 A C 1.329 179.066 177.584 0.254 0.000 1.067 130 A CA 0.430 52.618 52.037 0.250 0.000 0.757 130 A CB -0.045 19.067 19.000 0.187 0.000 0.996 130 A HN 1.074 nan 8.150 nan 0.000 0.504 131 S N 1.861 117.655 115.700 0.156 0.000 2.528 131 S HA -0.183 4.285 4.470 -0.002 0.000 0.244 131 S C 1.562 176.225 174.600 0.106 0.000 0.982 131 S CA 1.489 59.771 58.200 0.138 0.000 0.953 131 S CB -0.999 62.258 63.200 0.096 0.000 0.754 131 S HN 1.152 nan 8.310 nan 0.000 0.529 132 T N -1.682 112.894 114.554 0.037 0.000 2.915 132 T HA -0.045 4.304 4.350 -0.002 0.000 0.269 132 T C 1.430 176.093 174.700 -0.062 0.000 1.071 132 T CA 0.669 62.732 62.100 -0.062 0.000 1.132 132 T CB -0.718 68.038 68.868 -0.187 0.000 0.878 132 T HN 0.448 nan 8.240 nan 0.000 0.479 133 Y N 1.221 121.562 120.300 0.068 0.000 2.314 133 Y HA 0.253 4.801 4.550 -0.002 0.000 0.293 133 Y C 2.304 178.322 175.900 0.197 0.000 1.129 133 Y CA 0.193 58.348 58.100 0.091 0.000 1.201 133 Y CB -0.393 38.118 38.460 0.084 0.000 0.999 133 Y HN 0.223 nan 8.280 nan 0.000 0.541 134 I N -0.736 120.025 120.570 0.319 0.000 2.233 134 I HA -0.272 3.897 4.170 -0.002 0.000 0.243 134 I C 2.446 178.677 176.117 0.191 0.000 1.093 134 I CA 1.612 63.059 61.300 0.244 0.000 1.380 134 I CB -0.613 37.499 38.000 0.186 0.000 1.067 134 I HN 0.191 nan 8.210 nan 0.000 0.413 135 S N 0.508 116.292 115.700 0.140 0.000 2.423 135 S HA -0.193 4.276 4.470 -0.002 0.000 0.231 135 S C 1.809 176.475 174.600 0.111 0.000 1.014 135 S CA 1.247 59.512 58.200 0.108 0.000 0.965 135 S CB -0.764 62.477 63.200 0.068 0.000 0.785 135 S HN 0.506 nan 8.310 nan 0.000 0.495 136 N N 2.231 120.997 118.700 0.110 0.000 2.142 136 N HA -0.081 4.658 4.740 -0.002 0.000 0.186 136 N C 1.970 177.563 175.510 0.138 0.000 1.023 136 N CA 1.325 54.432 53.050 0.096 0.000 0.852 136 N CB -0.482 38.042 38.487 0.063 0.000 0.998 136 N HN 0.514 nan 8.380 nan 0.000 0.424 137 A N 1.150 124.089 122.820 0.198 0.000 1.902 137 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 137 A C 2.064 179.745 177.584 0.161 0.000 1.181 137 A CA 1.717 53.867 52.037 0.188 0.000 0.623 137 A CB -0.948 18.187 19.000 0.225 0.000 0.818 137 A HN 0.497 nan 8.150 nan 0.000 0.443 138 N N -0.397 118.435 118.700 0.221 0.000 2.244 138 N HA -0.149 4.590 4.740 -0.002 0.000 0.183 138 N C 1.660 177.346 175.510 0.293 0.000 1.016 138 N CA 1.767 55.014 53.050 0.328 0.000 0.866 138 N CB -0.239 38.387 38.487 0.232 0.000 0.980 138 N HN 0.571 nan 8.380 nan 0.000 0.430 139 K N -0.066 120.443 120.400 0.182 0.000 2.103 139 K HA 0.030 4.349 4.320 -0.002 0.000 0.204 139 K C 1.767 178.451 176.600 0.141 0.000 1.052 139 K CA 0.835 57.207 56.287 0.142 0.000 0.945 139 K CB 0.006 32.561 32.500 0.093 0.000 0.722 139 K HN 0.212 nan 8.250 nan 0.000 0.443 140 I N 0.718 121.359 120.570 0.117 0.000 2.233 140 I HA -0.219 3.950 4.170 -0.002 0.000 0.243 140 I C 1.664 177.833 176.117 0.088 0.000 1.093 140 I CA 0.556 61.904 61.300 0.079 0.000 1.380 140 I CB -0.060 37.967 38.000 0.044 0.000 1.067 140 I HN 0.123 nan 8.210 nan 0.000 0.413 141 L N 0.549 121.798 121.223 0.043 0.000 2.478 141 L HA -0.039 4.299 4.340 -0.002 0.000 0.223 141 L C 1.441 178.558 176.870 0.411 0.000 1.140 141 L CA 1.300 56.123 54.840 -0.029 0.000 0.842 141 L CB -1.304 40.295 42.059 -0.768 0.000 0.953 141 L HN 0.180 nan 8.230 nan 0.000 0.452 142 N N -0.655 118.343 118.700 0.496 0.000 2.434 142 N HA 0.026 4.765 4.740 -0.002 0.000 0.196 142 N C 1.600 177.308 175.510 0.329 0.000 1.183 142 N CA 0.215 53.614 53.050 0.581 0.000 0.849 142 N CB 0.097 38.824 38.487 0.400 0.000 0.992 142 N HN 0.254 nan 8.380 nan 0.000 0.460 143 R N -1.056 119.596 120.500 0.253 0.000 2.140 143 R HA 0.207 4.546 4.340 -0.002 0.000 0.213 143 R C 1.645 177.896 176.300 -0.081 0.000 1.059 143 R CA 0.458 56.630 56.100 0.120 0.000 1.000 143 R CB 0.106 30.516 30.300 0.183 0.000 0.910 143 R HN 0.050 nan 8.270 nan 0.000 0.455 144 S N 1.134 116.837 115.700 0.004 0.000 2.419 144 S HA -0.177 4.291 4.470 -0.002 0.000 0.235 144 S C 1.349 175.688 174.600 -0.435 0.000 1.019 144 S CA 1.099 59.126 58.200 -0.290 0.000 0.982 144 S CB -0.301 63.100 63.200 0.335 0.000 0.789 144 S HN 0.273 nan 8.310 nan 0.000 0.490 145 F N 2.910 122.447 119.950 -0.689 0.000 2.043 145 F HA -0.189 4.340 4.527 0.004 0.000 0.297 145 F C 1.811 177.287 175.800 -0.540 0.000 1.121 145 F CA 1.728 59.135 58.000 -0.988 0.000 1.199 145 F CB -0.915 37.556 39.000 -0.881 0.000 0.968 145 F HN 0.208 nan 8.300 nan 0.000 0.478 146 N N -0.464 117.903 118.700 -0.554 0.000 2.188 146 N HA -0.148 4.591 4.740 -0.002 0.000 0.184 146 N C 1.772 176.992 175.510 -0.482 0.000 1.018 146 N CA 1.271 53.999 53.050 -0.537 0.000 0.858 146 N CB -0.084 38.254 38.487 -0.248 0.000 0.989 146 N HN 0.166 nan 8.380 nan 0.000 0.426 147 V N 0.755 120.365 119.914 -0.506 0.000 2.626 147 V HA -0.140 3.978 4.120 -0.002 0.000 0.252 147 V C 1.743 177.582 176.094 -0.425 0.000 1.067 147 V CA 1.183 63.187 62.300 -0.493 0.000 1.081 147 V CB -0.227 31.102 31.823 -0.822 0.000 0.686 147 V HN 0.260 nan 8.190 nan 0.000 0.468 148 I N -0.531 119.741 120.570 -0.497 0.000 2.585 148 I HA -0.058 4.111 4.170 -0.002 0.000 0.254 148 I C 2.482 178.337 176.117 -0.437 0.000 1.129 148 I CA 1.137 62.161 61.300 -0.460 0.000 1.455 148 I CB -0.363 37.339 38.000 -0.496 0.000 1.111 148 I HN 0.119 nan 8.210 nan 0.000 0.433 149 S N -0.016 115.344 115.700 -0.567 0.000 2.356 149 S HA -0.183 4.286 4.470 -0.002 0.000 0.223 149 S C 2.065 176.473 174.600 -0.319 0.000 1.032 149 S CA 2.055 59.955 58.200 -0.500 0.000 1.005 149 S CB -0.528 62.187 63.200 -0.807 0.000 0.867 149 S HN 0.464 nan 8.310 nan 0.000 0.449 150 T N 1.016 115.387 114.554 -0.306 0.000 2.708 150 T HA -0.131 4.218 4.350 -0.002 0.000 0.266 150 T C 1.591 176.177 174.700 -0.190 0.000 1.037 150 T CA 1.558 63.500 62.100 -0.263 0.000 1.146 150 T CB -0.525 68.268 68.868 -0.125 0.000 0.865 150 T HN 0.536 nan 8.240 nan 0.000 0.435 151 Y N 1.517 121.721 120.300 -0.161 0.000 2.128 151 Y HA -0.264 4.278 4.550 -0.013 0.000 0.284 151 Y C 2.559 178.414 175.900 -0.073 0.000 1.154 151 Y CA 2.056 60.113 58.100 -0.071 0.000 1.149 151 Y CB -0.668 37.724 38.460 -0.113 0.000 0.976 151 Y HN 0.336 nan 8.280 nan 0.000 0.505 152 H N 0.404 119.310 119.070 -0.274 0.000 2.387 152 H HA -0.147 4.407 4.556 -0.003 0.000 0.299 152 H C 1.863 177.026 175.328 -0.275 0.000 1.099 152 H CA 2.193 58.070 56.048 -0.284 0.000 1.315 152 H CB -0.362 29.262 29.762 -0.230 0.000 1.380 152 H HN 0.372 nan 8.280 nan 0.000 0.513 153 N N -0.186 118.285 118.700 -0.381 0.000 2.062 153 N HA -0.141 4.598 4.740 -0.002 0.000 0.191 153 N C 1.849 177.143 175.510 -0.359 0.000 1.042 153 N CA 1.380 54.176 53.050 -0.424 0.000 0.845 153 N CB -0.648 37.575 38.487 -0.441 0.000 1.024 153 N HN 0.543 nan 8.380 nan 0.000 0.424 154 H N 0.609 119.552 119.070 -0.212 0.000 2.426 154 H HA -0.099 4.473 4.556 0.026 0.000 0.298 154 H C 2.038 177.265 175.328 -0.169 0.000 1.107 154 H CA 0.661 56.610 56.048 -0.165 0.000 1.298 154 H CB -0.355 29.303 29.762 -0.172 0.000 1.377 154 H HN 0.128 nan 8.280 nan 0.000 0.519 155 L N 1.449 122.537 121.223 -0.226 0.000 2.007 155 L HA -0.099 4.240 4.340 -0.002 0.000 0.205 155 L C 2.468 179.316 176.870 -0.036 0.000 1.073 155 L CA 1.845 56.555 54.840 -0.215 0.000 0.744 155 L CB -0.597 41.205 42.059 -0.429 0.000 0.898 155 L HN -0.004 nan 8.230 nan 0.000 0.435 156 K N -0.860 119.429 120.400 -0.185 0.000 2.103 156 K HA -0.143 4.176 4.320 -0.002 0.000 0.207 156 K C 1.764 178.330 176.600 -0.058 0.000 1.048 156 K CA 2.265 58.461 56.287 -0.152 0.000 0.930 156 K CB -0.851 31.462 32.500 -0.312 0.000 0.716 156 K HN 0.369 nan 8.250 nan 0.000 0.444 157 T N -0.465 114.062 114.554 -0.045 0.000 3.051 157 T HA -0.081 4.268 4.350 -0.002 0.000 0.269 157 T C 0.913 175.671 174.700 0.098 0.000 1.127 157 T CA 1.067 63.173 62.100 0.011 0.000 1.107 157 T CB -0.302 68.583 68.868 0.027 0.000 0.898 157 T HN 0.506 nan 8.240 nan 0.000 0.517 158 W N 2.299 123.568 121.300 -0.050 0.000 2.640 158 W HA 0.098 4.762 4.660 0.006 0.000 0.268 158 W C 1.773 178.303 176.519 0.019 0.000 1.263 158 W CA 0.192 57.538 57.345 0.002 0.000 1.344 158 W CB 0.208 29.675 29.460 0.012 0.000 1.093 158 W HN 0.402 nan 8.180 nan 0.000 0.603 159 E N -0.119 120.081 120.200 0.001 0.000 2.726 159 E HA -0.094 4.255 4.350 -0.002 0.000 0.329 159 E C 1.764 178.250 176.600 -0.191 0.000 0.595 159 E CA 0.588 56.888 56.400 -0.167 0.000 1.965 159 E CB -1.139 28.552 29.700 -0.014 0.000 1.717 159 E HN -0.141 nan 8.360 nan 0.000 0.531 160 N N 1.096 119.730 118.700 -0.111 0.000 2.182 160 N HA -0.182 4.557 4.740 -0.002 0.000 0.192 160 N C 0.217 175.667 175.510 -0.100 0.000 1.007 160 N CA 0.928 53.920 53.050 -0.097 0.000 0.873 160 N CB -0.853 37.595 38.487 -0.066 0.000 0.998 160 N HN 0.336 nan 8.380 nan 0.000 0.436 161 N N 0.833 119.475 118.700 -0.097 0.000 2.399 161 N HA 0.069 4.808 4.740 -0.002 0.000 0.250 161 N C -2.469 172.970 175.510 -0.119 0.000 1.272 161 N CA -1.349 51.652 53.050 -0.082 0.000 0.928 161 N CB 0.723 39.179 38.487 -0.051 0.000 1.158 161 N HN -0.077 nan 8.380 nan 0.000 0.463 162 P HA -0.089 nan 4.420 nan 0.000 0.269 162 P C -1.038 176.167 177.300 -0.157 0.000 1.200 162 P CA 0.515 63.555 63.100 -0.099 0.000 0.779 162 P CB 0.368 32.034 31.700 -0.056 0.000 0.841 163 N N 1.835 120.437 118.700 -0.163 0.000 2.761 163 N HA 0.175 4.913 4.740 -0.002 0.000 0.317 163 N C -1.906 173.562 175.510 -0.070 0.000 1.546 163 N CA -0.828 52.093 53.050 -0.216 0.000 1.015 163 N CB -0.216 38.111 38.487 -0.267 0.000 1.343 163 N HN 0.356 nan 8.380 nan 0.000 0.504 164 P HA 0.134 nan 4.420 nan 0.000 0.215 164 P C 0.862 178.212 177.300 0.083 0.000 1.173 164 P CA 0.622 63.739 63.100 0.028 0.000 0.663 164 P CB 0.666 32.383 31.700 0.028 0.000 0.720 165 Q N -3.111 116.752 119.800 0.104 0.000 1.891 165 Q HA 0.082 4.421 4.340 -0.002 0.000 0.206 165 Q C 1.437 177.516 176.000 0.132 0.000 0.710 165 Q CA 0.089 55.973 55.803 0.135 0.000 0.840 165 Q CB -0.481 28.309 28.738 0.087 0.000 1.211 165 Q HN 0.152 nan 8.270 nan 0.000 0.424 166 N N 1.115 119.877 118.700 0.103 0.000 2.176 166 N HA -0.098 4.641 4.740 -0.002 0.000 0.187 166 N C 1.611 177.180 175.510 0.098 0.000 1.043 166 N CA 2.447 55.544 53.050 0.078 0.000 0.851 166 N CB 0.072 38.588 38.487 0.048 0.000 1.018 166 N HN 0.189 nan 8.380 nan 0.000 0.436 167 T N -1.840 112.790 114.554 0.126 0.000 3.163 167 T HA -0.022 4.327 4.350 -0.002 0.000 0.260 167 T C 1.353 176.261 174.700 0.346 0.000 1.156 167 T CA 0.501 62.701 62.100 0.166 0.000 1.072 167 T CB -0.008 68.951 68.868 0.153 0.000 0.937 167 T HN 0.131 nan 8.240 nan 0.000 0.528 168 Q N 0.974 121.002 119.800 0.380 0.000 2.384 168 Q HA 0.065 4.403 4.340 -0.002 0.000 0.207 168 Q C 0.298 176.457 176.000 0.264 0.000 0.904 168 Q CA 0.376 56.537 55.803 0.597 0.000 0.933 168 Q CB -0.202 28.889 28.738 0.588 0.000 1.077 168 Q HN 0.430 nan 8.270 nan 0.000 0.522 169 D N 0.560 121.044 120.400 0.140 0.000 3.032 169 D HA 0.038 4.677 4.640 -0.002 0.000 0.241 169 D C 0.990 177.264 176.300 -0.043 0.000 1.196 169 D CA -0.026 54.010 54.000 0.060 0.000 0.927 169 D CB 0.079 40.898 40.800 0.030 0.000 1.129 169 D HN -0.038 nan 8.370 nan 0.000 0.458 170 V N 0.661 120.495 119.914 -0.134 0.000 2.759 170 V HA -0.166 3.953 4.120 -0.002 0.000 0.256 170 V C 2.370 178.330 176.094 -0.223 0.000 1.080 170 V CA 1.067 63.177 62.300 -0.318 0.000 1.101 170 V CB -0.368 30.985 31.823 -0.782 0.000 0.698 170 V HN 0.371 nan 8.190 nan 0.000 0.477 171 R N -0.266 120.187 120.500 -0.079 0.000 2.170 171 R HA -0.195 4.144 4.340 -0.002 0.000 0.242 171 R C 2.442 178.773 176.300 0.052 0.000 1.145 171 R CA 1.820 57.948 56.100 0.046 0.000 0.984 171 R CB -0.544 29.852 30.300 0.160 0.000 0.869 171 R HN 0.509 nan 8.270 nan 0.000 0.455 172 T N -0.176 114.381 114.554 0.004 0.000 2.896 172 T HA -0.117 4.232 4.350 -0.002 0.000 0.263 172 T C 1.773 176.476 174.700 0.005 0.000 1.050 172 T CA 0.971 63.074 62.100 0.005 0.000 1.140 172 T CB 0.103 68.951 68.868 -0.033 0.000 0.877 172 T HN 0.079 nan 8.240 nan 0.000 0.457 173 Q N 0.638 120.422 119.800 -0.027 0.000 2.119 173 Q HA 0.109 4.448 4.340 -0.002 0.000 0.201 173 Q C 2.058 178.135 176.000 0.128 0.000 0.972 173 Q CA 1.424 57.250 55.803 0.039 0.000 0.847 173 Q CB -0.516 28.241 28.738 0.032 0.000 0.903 173 Q HN 0.638 nan 8.270 nan 0.000 0.433 174 I N 0.102 120.732 120.570 0.099 0.000 2.286 174 I HA -0.325 3.844 4.170 -0.002 0.000 0.248 174 I C 2.221 178.390 176.117 0.087 0.000 1.115 174 I CA 1.253 62.581 61.300 0.047 0.000 1.392 174 I CB -0.291 37.662 38.000 -0.079 0.000 1.065 174 I HN 0.340 nan 8.210 nan 0.000 0.418 175 Q N 0.419 120.310 119.800 0.152 0.000 2.135 175 Q HA -0.190 4.149 4.340 -0.002 0.000 0.204 175 Q C 2.375 178.496 176.000 0.201 0.000 0.981 175 Q CA 1.348 57.290 55.803 0.232 0.000 0.856 175 Q CB -0.090 28.747 28.738 0.165 0.000 0.902 175 Q HN 0.554 nan 8.270 nan 0.000 0.425 176 L N -0.317 120.976 121.223 0.116 0.000 2.072 176 L HA -0.138 4.200 4.340 -0.002 0.000 0.205 176 L C 2.326 179.242 176.870 0.076 0.000 1.079 176 L CA 0.645 55.544 54.840 0.098 0.000 0.752 176 L CB -0.371 41.709 42.059 0.036 0.000 0.906 176 L HN 0.082 nan 8.230 nan 0.000 0.436 177 V N -0.614 119.306 119.914 0.010 0.000 2.490 177 V HA -0.305 3.814 4.120 -0.002 0.000 0.250 177 V C 2.414 178.538 176.094 0.050 0.000 1.061 177 V CA 1.961 64.205 62.300 -0.093 0.000 1.064 177 V CB -0.769 30.933 31.823 -0.202 0.000 0.670 177 V HN 0.505 nan 8.190 nan 0.000 0.461 178 H N -1.250 117.870 119.070 0.083 0.000 2.462 178 H HA -0.148 4.403 4.556 -0.009 0.000 0.292 178 H C 1.948 177.343 175.328 0.113 0.000 1.049 178 H CA 1.567 57.724 56.048 0.181 0.000 1.334 178 H CB -0.154 29.790 29.762 0.303 0.000 1.404 178 H HN 0.513 nan 8.280 nan 0.000 0.544 179 Y N -0.203 120.038 120.300 -0.098 0.000 2.286 179 Y HA -0.075 4.481 4.550 0.011 0.000 0.293 179 Y C 2.626 178.402 175.900 -0.208 0.000 1.124 179 Y CA 1.867 59.865 58.100 -0.170 0.000 1.178 179 Y CB -0.601 37.818 38.460 -0.068 0.000 1.010 179 Y HN 0.447 nan 8.280 nan 0.000 0.536 180 H N -0.817 118.047 119.070 -0.343 0.000 2.387 180 H HA -0.182 4.371 4.556 -0.004 0.000 0.299 180 H C 1.471 176.439 175.328 -0.599 0.000 1.090 180 H CA 2.358 58.096 56.048 -0.516 0.000 1.332 180 H CB -0.699 28.694 29.762 -0.614 0.000 1.386 180 H HN 0.397 nan 8.280 nan 0.000 0.516 181 F N -0.050 119.591 119.950 -0.515 0.000 2.664 181 F HA 0.036 4.563 4.527 -0.001 0.000 0.296 181 F C 2.310 177.758 175.800 -0.587 0.000 1.125 181 F CA 0.163 57.765 58.000 -0.663 0.000 1.444 181 F CB 0.199 38.632 39.000 -0.944 0.000 1.114 181 F HN 0.240 nan 8.300 nan 0.000 0.576 182 Q N -0.029 119.521 119.800 -0.416 0.000 2.311 182 Q HA -0.085 4.254 4.340 -0.002 0.000 0.203 182 Q C 1.455 177.268 176.000 -0.313 0.000 0.954 182 Q CA 0.809 56.420 55.803 -0.319 0.000 0.885 182 Q CB -0.000 28.513 28.738 -0.375 0.000 0.963 182 Q HN 0.415 nan 8.270 nan 0.000 0.471 183 N N -0.360 118.073 118.700 -0.446 0.000 2.499 183 N HA -0.048 4.691 4.740 -0.002 0.000 0.182 183 N C 1.742 177.070 175.510 -0.303 0.000 1.034 183 N CA 0.471 53.291 53.050 -0.384 0.000 0.882 183 N CB 0.044 38.225 38.487 -0.511 0.000 1.125 183 N HN -0.006 nan 8.380 nan 0.000 0.436 184 V N 1.948 121.617 119.914 -0.409 0.000 2.515 184 V HA -0.063 4.056 4.120 -0.002 0.000 0.250 184 V C 2.036 178.029 176.094 -0.168 0.000 1.058 184 V CA 1.069 63.174 62.300 -0.324 0.000 1.064 184 V CB -0.224 31.273 31.823 -0.543 0.000 0.675 184 V HN 0.154 nan 8.190 nan 0.000 0.461 185 I N 0.007 120.494 120.570 -0.138 0.000 2.233 185 I HA -0.075 4.094 4.170 -0.002 0.000 0.243 185 I C -0.235 175.888 176.117 0.011 0.000 1.093 185 I CA 1.298 62.563 61.300 -0.058 0.000 1.380 185 I CB -1.203 36.752 38.000 -0.076 0.000 1.067 185 I HN 0.359 nan 8.210 nan 0.000 0.413 186 P HA -0.165 nan 4.420 nan 0.000 0.217 186 P C 1.404 178.700 177.300 -0.006 0.000 1.151 186 P CA 1.252 64.341 63.100 -0.018 0.000 0.828 186 P CB 0.038 31.709 31.700 -0.048 0.000 0.788 187 E N -0.392 119.789 120.200 -0.033 0.000 2.023 187 E HA -0.229 4.120 4.350 -0.002 0.000 0.196 187 E C 1.860 178.487 176.600 0.045 0.000 1.003 187 E CA 1.040 57.432 56.400 -0.014 0.000 0.809 187 E CB -0.651 29.020 29.700 -0.048 0.000 0.755 187 E HN -0.034 nan 8.360 nan 0.000 0.449 188 L N 0.622 121.878 121.223 0.056 0.000 1.978 188 L HA -0.230 4.109 4.340 -0.002 0.000 0.218 188 L C 2.357 179.370 176.870 0.239 0.000 1.075 188 L CA 1.808 56.728 54.840 0.134 0.000 0.767 188 L CB -0.789 41.325 42.059 0.091 0.000 0.890 188 L HN 0.088 nan 8.230 nan 0.000 0.434 189 V N 0.316 120.336 119.914 0.177 0.000 2.490 189 V HA -0.232 3.887 4.120 -0.002 0.000 0.250 189 V C 2.045 178.249 176.094 0.183 0.000 1.061 189 V CA 1.906 64.321 62.300 0.191 0.000 1.064 189 V CB -0.878 30.978 31.823 0.055 0.000 0.670 189 V HN 0.564 nan 8.190 nan 0.000 0.461 190 N N -0.317 118.444 118.700 0.102 0.000 2.398 190 N HA 0.005 4.744 4.740 -0.002 0.000 0.188 190 N C 1.007 176.532 175.510 0.026 0.000 1.122 190 N CA 0.332 53.414 53.050 0.054 0.000 0.866 190 N CB 0.313 38.815 38.487 0.025 0.000 0.970 190 N HN 0.309 nan 8.380 nan 0.000 0.462 191 S N 1.370 117.093 115.700 0.038 0.000 3.149 191 S HA 0.133 4.602 4.470 -0.002 0.000 0.228 191 S C 0.708 175.136 174.600 -0.287 0.000 1.393 191 S CA -0.663 57.519 58.200 -0.031 0.000 1.224 191 S CB -0.518 62.705 63.200 0.038 0.000 1.112 191 S HN 0.359 nan 8.310 nan 0.000 0.502 192 c N -0.191 118.217 118.600 -0.319 0.000 2.407 192 c HA 0.790 5.359 4.570 -0.002 0.000 0.366 192 c C -2.841 171.053 174.090 -0.326 0.000 1.213 192 c CA -2.843 53.093 56.329 -0.656 0.000 2.011 192 c CB 0.230 42.572 42.510 -0.280 0.000 2.306 192 c HN 0.188 nan 8.230 nan 0.000 0.527 193 P HA 0.226 nan 4.420 nan 0.000 0.268 193 P C -1.927 175.333 177.300 -0.066 0.000 1.208 193 P CA -0.441 62.514 63.100 -0.242 0.000 0.777 193 P CB 0.104 31.576 31.700 -0.381 0.000 0.875 194 P HA -0.201 nan 4.420 nan 0.000 0.212 194 P C 0.124 177.425 177.300 0.002 0.000 1.178 194 P CA 1.201 64.309 63.100 0.013 0.000 0.915 194 P CB -0.330 31.388 31.700 0.029 0.000 0.788 195 N N -0.355 118.347 118.700 0.004 0.000 2.223 195 N HA -0.101 4.638 4.740 -0.002 0.000 0.271 195 N C -1.550 173.961 175.510 0.002 0.000 1.315 195 N CA -0.737 52.315 53.050 0.003 0.000 0.835 195 N CB 0.525 39.014 38.487 0.004 0.000 1.066 195 N HN -0.051 nan 8.380 nan 0.000 0.486 196 P HA -0.288 nan 4.420 nan 0.000 0.209 196 P C 1.341 178.651 177.300 0.018 0.000 1.167 196 P CA 2.042 65.149 63.100 0.011 0.000 0.941 196 P CB -0.029 31.677 31.700 0.009 0.000 0.787 197 S N -1.423 114.285 115.700 0.013 0.000 2.400 197 S HA -0.226 4.243 4.470 -0.002 0.000 0.232 197 S C 1.935 176.561 174.600 0.045 0.000 1.025 197 S CA 1.708 59.919 58.200 0.019 0.000 0.993 197 S CB -1.486 61.714 63.200 -0.001 0.000 0.808 197 S HN 0.123 nan 8.310 nan 0.000 0.478 198 D N 0.345 120.765 120.400 0.034 0.000 2.350 198 D HA -0.048 4.591 4.640 -0.002 0.000 0.216 198 D C 1.817 178.155 176.300 0.063 0.000 0.968 198 D CA 0.789 54.823 54.000 0.056 0.000 0.894 198 D CB -0.088 40.719 40.800 0.011 0.000 0.909 198 D HN 0.557 nan 8.370 nan 0.000 0.520 199 c N -0.019 118.608 118.600 0.045 0.000 2.504 199 c HA 0.032 4.601 4.570 -0.002 0.000 0.279 199 c C 2.112 176.273 174.090 0.117 0.000 1.358 199 c CA 0.154 56.519 56.329 0.059 0.000 1.747 199 c CB -0.515 42.014 42.510 0.032 0.000 2.037 199 c HN 0.205 nan 8.230 nan 0.000 0.503 200 D N -0.538 119.914 120.400 0.087 0.000 2.144 200 D HA -0.127 4.512 4.640 -0.002 0.000 0.200 200 D C 1.654 178.000 176.300 0.077 0.000 0.978 200 D CA 1.341 55.380 54.000 0.064 0.000 0.833 200 D CB -0.395 40.428 40.800 0.038 0.000 0.961 200 D HN 0.670 nan 8.370 nan 0.000 0.470 201 Y N 0.665 120.955 120.300 -0.016 0.000 2.242 201 Y HA -0.258 4.291 4.550 -0.001 0.000 0.291 201 Y C 2.128 178.023 175.900 -0.008 0.000 1.137 201 Y CA 1.073 59.154 58.100 -0.032 0.000 1.181 201 Y CB -0.637 37.804 38.460 -0.031 0.000 0.989 201 Y HN -0.017 nan 8.280 nan 0.000 0.527 202 Y N 0.714 120.889 120.300 -0.208 0.000 2.242 202 Y HA -0.169 4.379 4.550 -0.003 0.000 0.291 202 Y C 2.022 177.815 175.900 -0.177 0.000 1.137 202 Y CA 2.027 59.962 58.100 -0.275 0.000 1.181 202 Y CB -0.605 37.714 38.460 -0.235 0.000 0.989 202 Y HN 0.102 nan 8.280 nan 0.000 0.527 203 N N 0.828 119.390 118.700 -0.229 0.000 2.354 203 N HA -0.071 4.668 4.740 -0.002 0.000 0.179 203 N C 1.911 177.284 175.510 -0.227 0.000 1.021 203 N CA 1.507 54.407 53.050 -0.250 0.000 0.887 203 N CB -0.140 38.347 38.487 -0.000 0.000 0.974 203 N HN 0.709 nan 8.380 nan 0.000 0.437 204 I N -1.931 118.522 120.570 -0.194 0.000 2.617 204 I HA -0.022 4.147 4.170 -0.002 0.000 0.256 204 I C 1.786 177.821 176.117 -0.137 0.000 1.167 204 I CA 0.731 61.954 61.300 -0.128 0.000 1.469 204 I CB -0.088 37.862 38.000 -0.083 0.000 1.098 204 I HN -0.152 nan 8.210 nan 0.000 0.436 205 L N 0.565 121.607 121.223 -0.300 0.000 2.395 205 L HA 0.116 4.455 4.340 -0.002 0.000 0.218 205 L C 1.784 178.531 176.870 -0.205 0.000 1.130 205 L CA 1.175 55.836 54.840 -0.297 0.000 0.826 205 L CB 0.143 41.878 42.059 -0.541 0.000 0.941 205 L HN 0.178 nan 8.230 nan 0.000 0.451 206 V N -1.635 118.114 119.914 -0.275 0.000 3.528 206 V HA 0.029 4.148 4.120 -0.002 0.000 0.294 206 V C 1.834 177.917 176.094 -0.019 0.000 1.404 206 V CA 0.252 62.443 62.300 -0.182 0.000 1.065 206 V CB 0.555 32.128 31.823 -0.416 0.000 0.904 206 V HN 0.278 nan 8.190 nan 0.000 0.435 207 L N 1.915 123.122 121.223 -0.027 0.000 2.021 207 L HA -0.220 4.118 4.340 -0.002 0.000 0.215 207 L C 2.720 179.663 176.870 0.121 0.000 1.074 207 L CA 2.825 57.693 54.840 0.046 0.000 0.760 207 L CB -0.642 41.406 42.059 -0.018 0.000 0.889 207 L HN 0.515 nan 8.230 nan 0.000 0.433 208 S N -2.145 113.602 115.700 0.079 0.000 2.382 208 S HA -0.173 4.296 4.470 -0.002 0.000 0.228 208 S C 1.965 176.743 174.600 0.296 0.000 1.027 208 S CA 1.383 59.632 58.200 0.081 0.000 0.991 208 S CB -0.838 62.338 63.200 -0.039 0.000 0.823 208 S HN 0.539 nan 8.310 nan 0.000 0.469 209 S N 0.556 116.463 115.700 0.345 0.000 2.387 209 S HA 0.022 4.491 4.470 -0.002 0.000 0.226 209 S C 1.469 176.029 174.600 -0.068 0.000 1.026 209 S CA 0.901 59.219 58.200 0.197 0.000 0.972 209 S CB -0.697 62.523 63.200 0.033 0.000 0.814 209 S HN 0.671 nan 8.310 nan 0.000 0.477 210 Y N 2.818 123.069 120.300 -0.082 0.000 2.114 210 Y HA -0.260 4.289 4.550 -0.000 0.000 0.282 210 Y C 2.429 178.269 175.900 -0.101 0.000 1.165 210 Y CA 1.235 59.277 58.100 -0.096 0.000 1.148 210 Y CB -0.816 37.658 38.460 0.023 0.000 0.972 210 Y HN 0.217 nan 8.280 nan 0.000 0.504 211 A N 0.297 123.185 122.820 0.113 0.000 1.873 211 A HA -0.276 4.043 4.320 -0.002 0.000 0.218 211 A C 2.123 179.701 177.584 -0.010 0.000 1.193 211 A CA 2.033 54.109 52.037 0.065 0.000 0.629 211 A CB -0.878 18.183 19.000 0.101 0.000 0.826 211 A HN 0.572 nan 8.150 nan 0.000 0.447 212 Q N -0.520 119.325 119.800 0.075 0.000 2.112 212 Q HA -0.202 4.137 4.340 -0.002 0.000 0.206 212 Q C 2.453 178.424 176.000 -0.049 0.000 0.987 212 Q CA 1.793 57.675 55.803 0.132 0.000 0.858 212 Q CB -0.883 28.089 28.738 0.389 0.000 0.905 212 Q HN 0.680 nan 8.270 nan 0.000 0.420 213 A N 1.071 123.744 122.820 -0.246 0.000 1.858 213 A HA -0.122 4.197 4.320 -0.002 0.000 0.216 213 A C 2.367 179.549 177.584 -0.670 0.000 1.190 213 A CA 2.271 54.082 52.037 -0.376 0.000 0.617 213 A CB -0.908 17.846 19.000 -0.410 0.000 0.827 213 A HN 0.388 nan 8.150 nan 0.000 0.443 214 A N 0.024 122.345 122.820 -0.833 0.000 1.940 214 A HA -0.251 4.068 4.320 -0.002 0.000 0.219 214 A C 2.079 179.222 177.584 -0.736 0.000 1.176 214 A CA 1.886 53.222 52.037 -1.169 0.000 0.631 214 A CB -0.833 17.137 19.000 -1.717 0.000 0.814 214 A HN 0.723 nan 8.150 nan 0.000 0.446 215 N N 0.033 118.517 118.700 -0.359 0.000 2.084 215 N HA -0.123 4.616 4.740 -0.002 0.000 0.190 215 N C 1.834 177.185 175.510 -0.265 0.000 1.030 215 N CA 1.535 54.500 53.050 -0.143 0.000 0.849 215 N CB -0.204 38.422 38.487 0.232 0.000 1.012 215 N HN 0.503 nan 8.380 nan 0.000 0.423 216 L N 0.440 121.536 121.223 -0.211 0.000 2.012 216 L HA -0.233 4.106 4.340 -0.002 0.000 0.210 216 L C 2.760 179.453 176.870 -0.295 0.000 1.073 216 L CA 1.473 56.251 54.840 -0.104 0.000 0.748 216 L CB -0.983 41.122 42.059 0.076 0.000 0.891 216 L HN 0.356 nan 8.230 nan 0.000 0.431 217 H N 0.686 119.215 119.070 -0.902 0.000 2.289 217 H HA -0.196 4.357 4.556 -0.004 0.000 0.296 217 H C 2.177 177.278 175.328 -0.378 0.000 1.091 217 H CA 1.911 57.514 56.048 -0.741 0.000 1.274 217 H CB -0.432 28.890 29.762 -0.733 0.000 1.364 217 H HN 0.173 nan 8.280 nan 0.000 0.490 218 L N -0.420 120.493 121.223 -0.517 0.000 2.127 218 L HA -0.180 4.158 4.340 -0.002 0.000 0.211 218 L C 2.480 178.889 176.870 -0.768 0.000 1.089 218 L CA 1.697 56.110 54.840 -0.713 0.000 0.757 218 L CB -0.514 40.957 42.059 -0.979 0.000 0.899 218 L HN 0.333 nan 8.230 nan 0.000 0.434 219 T N -1.048 113.108 114.554 -0.663 0.000 2.777 219 T HA -0.116 4.233 4.350 -0.002 0.000 0.266 219 T C 1.970 176.549 174.700 -0.202 0.000 1.040 219 T CA 1.113 62.940 62.100 -0.455 0.000 1.141 219 T CB -0.116 68.524 68.868 -0.381 0.000 0.868 219 T HN 0.074 nan 8.240 nan 0.000 0.444 220 V N 1.359 121.200 119.914 -0.121 0.000 2.453 220 V HA -0.028 4.091 4.120 -0.002 0.000 0.247 220 V C 2.422 178.431 176.094 -0.140 0.000 1.048 220 V CA 1.190 63.425 62.300 -0.108 0.000 1.049 220 V CB -0.610 31.088 31.823 -0.208 0.000 0.672 220 V HN 0.419 nan 8.190 nan 0.000 0.457 221 L N 0.433 121.558 121.223 -0.164 0.000 2.027 221 L HA -0.168 4.171 4.340 -0.002 0.000 0.206 221 L C 2.572 179.391 176.870 -0.085 0.000 1.074 221 L CA 1.876 56.601 54.840 -0.191 0.000 0.745 221 L CB -0.800 41.135 42.059 -0.207 0.000 0.898 221 L HN 0.444 nan 8.230 nan 0.000 0.433 222 N N -0.090 118.576 118.700 -0.056 0.000 2.149 222 N HA -0.263 4.476 4.740 -0.002 0.000 0.188 222 N C 1.928 177.499 175.510 0.103 0.000 1.019 222 N CA 1.380 54.486 53.050 0.094 0.000 0.857 222 N CB 0.025 38.643 38.487 0.219 0.000 0.997 222 N HN 0.343 nan 8.380 nan 0.000 0.426 223 Q N 0.939 120.774 119.800 0.057 0.000 2.046 223 Q HA -0.013 4.326 4.340 -0.002 0.000 0.200 223 Q C 1.943 178.001 176.000 0.096 0.000 0.975 223 Q CA 1.499 57.359 55.803 0.096 0.000 0.836 223 Q CB -0.502 28.313 28.738 0.128 0.000 0.896 223 Q HN 0.433 nan 8.270 nan 0.000 0.428 224 A N 0.235 123.050 122.820 -0.008 0.000 1.883 224 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 224 A C 2.412 180.059 177.584 0.106 0.000 1.186 224 A CA 1.929 53.932 52.037 -0.056 0.000 0.624 224 A CB -0.948 17.750 19.000 -0.503 0.000 0.822 224 A HN 0.260 nan 8.150 nan 0.000 0.444 225 V N 0.122 120.099 119.914 0.105 0.000 2.287 225 V HA -0.315 3.803 4.120 -0.002 0.000 0.248 225 V C 2.508 178.686 176.094 0.140 0.000 1.053 225 V CA 2.507 64.903 62.300 0.159 0.000 1.027 225 V CB -0.709 31.218 31.823 0.174 0.000 0.646 225 V HN 0.573 nan 8.190 nan 0.000 0.447 226 K N -0.851 119.636 120.400 0.145 0.000 2.026 226 K HA -0.193 4.126 4.320 -0.002 0.000 0.208 226 K C 2.118 178.821 176.600 0.172 0.000 1.048 226 K CA 1.860 58.233 56.287 0.143 0.000 0.929 226 K CB -0.433 32.153 32.500 0.143 0.000 0.713 226 K HN 0.398 nan 8.250 nan 0.000 0.439 227 F N 2.601 122.570 119.950 0.030 0.000 2.091 227 F HA -0.267 4.252 4.527 -0.014 0.000 0.299 227 F C 2.163 178.015 175.800 0.086 0.000 1.103 227 F CA 1.768 59.767 58.000 -0.002 0.000 1.228 227 F CB -0.092 38.839 39.000 -0.115 0.000 0.984 227 F HN -0.006 nan 8.300 nan 0.000 0.477 228 E N 0.166 120.408 120.200 0.070 0.000 2.046 228 E HA -0.038 4.311 4.350 -0.002 0.000 0.190 228 E C 2.246 178.841 176.600 -0.007 0.000 0.982 228 E CA 1.251 57.651 56.400 -0.001 0.000 0.800 228 E CB -0.667 29.112 29.700 0.133 0.000 0.756 228 E HN 0.380 nan 8.360 nan 0.000 0.449 229 A N -0.380 122.469 122.820 0.048 0.000 2.070 229 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 229 A C 2.033 179.653 177.584 0.060 0.000 1.159 229 A CA 1.442 53.504 52.037 0.041 0.000 0.656 229 A CB -0.741 18.287 19.000 0.045 0.000 0.800 229 A HN 0.473 nan 8.150 nan 0.000 0.453 230 Y N 0.103 120.360 120.300 -0.072 0.000 2.337 230 Y HA 0.088 4.634 4.550 -0.007 0.000 0.293 230 Y C 1.607 177.454 175.900 -0.088 0.000 1.123 230 Y CA 1.153 59.216 58.100 -0.061 0.000 1.201 230 Y CB -0.091 38.339 38.460 -0.049 0.000 1.011 230 Y HN 0.198 nan 8.280 nan 0.000 0.545 231 L N 0.050 121.146 121.223 -0.211 0.000 2.554 231 L HA -0.030 4.309 4.340 -0.002 0.000 0.226 231 L C 1.795 178.562 176.870 -0.172 0.000 1.137 231 L CA 0.678 55.362 54.840 -0.261 0.000 0.863 231 L CB -0.290 41.623 42.059 -0.243 0.000 0.985 231 L HN 0.063 nan 8.230 nan 0.000 0.451 232 K N 0.051 120.377 120.400 -0.122 0.000 2.459 232 K HA 0.029 4.348 4.320 -0.002 0.000 0.193 232 K C 0.131 176.676 176.600 -0.091 0.000 1.030 232 K CA 0.078 56.318 56.287 -0.079 0.000 1.026 232 K CB 0.077 32.552 32.500 -0.043 0.000 0.809 232 K HN 0.351 nan 8.250 nan 0.000 0.504 233 N N 1.022 119.635 118.700 -0.145 0.000 2.538 233 N HA 0.034 4.773 4.740 -0.002 0.000 0.292 233 N C -0.181 175.236 175.510 -0.155 0.000 1.262 233 N CA -0.709 52.258 53.050 -0.139 0.000 0.976 233 N CB 0.349 38.739 38.487 -0.161 0.000 1.161 233 N HN 0.092 nan 8.380 nan 0.000 0.598 246 A N 4.033 126.884 122.820 0.051 0.000 3.076 246 A HA 0.555 4.874 4.320 -0.002 0.000 0.269 246 A C 0.802 178.420 177.584 0.056 0.000 1.916 246 A CA -0.189 51.888 52.037 0.066 0.000 1.492 246 A CB -1.455 17.570 19.000 0.043 0.000 1.000 246 A HN 0.772 nan 8.150 nan 0.000 0.615 247 I N 0.322 120.929 120.570 0.062 0.000 2.813 247 I HA -0.013 4.156 4.170 -0.002 0.000 0.287 247 I C 0.441 176.546 176.117 -0.021 0.000 1.196 247 I CA 0.253 61.517 61.300 -0.060 0.000 1.421 247 I CB 0.541 38.406 38.000 -0.224 0.000 1.365 247 I HN 0.471 nan 8.210 nan 0.000 0.591 248 D N 4.266 124.591 120.400 -0.125 0.000 2.461 248 D HA 0.233 4.872 4.640 -0.002 0.000 0.240 248 D C -0.197 176.065 176.300 -0.063 0.000 1.094 248 D CA -0.354 53.650 54.000 0.006 0.000 0.868 248 D CB 0.489 41.306 40.800 0.029 0.000 1.062 248 D HN 0.291 nan 8.370 nan 0.000 0.530 249 Y N 2.468 122.793 120.300 0.043 0.000 2.490 249 Y HA 0.054 4.592 4.550 -0.020 0.000 0.281 249 Y C 1.267 177.193 175.900 0.043 0.000 1.174 249 Y CA -0.198 57.896 58.100 -0.011 0.000 1.295 249 Y CB -0.420 37.999 38.460 -0.068 0.000 1.062 249 Y HN 0.534 nan 8.280 nan 0.000 0.522 250 Y N 1.913 122.274 120.300 0.100 0.000 2.224 250 Y HA -0.067 4.480 4.550 -0.005 0.000 0.289 250 Y C -0.886 175.030 175.900 0.027 0.000 1.146 250 Y CA 0.514 58.651 58.100 0.061 0.000 1.182 250 Y CB -1.240 37.254 38.460 0.056 0.000 0.983 250 Y HN 0.074 nan 8.280 nan 0.000 0.524 251 P HA -0.124 nan 4.420 nan 0.000 0.219 251 P C 1.829 179.025 177.300 -0.175 0.000 1.150 251 P CA 1.555 64.542 63.100 -0.189 0.000 0.814 251 P CB 0.110 31.764 31.700 -0.077 0.000 0.787 252 V N -0.499 119.351 119.914 -0.108 0.000 2.488 252 V HA -0.148 3.971 4.120 -0.002 0.000 0.246 252 V C 2.286 178.297 176.094 -0.139 0.000 1.046 252 V CA 1.073 63.318 62.300 -0.092 0.000 1.053 252 V CB -1.113 30.685 31.823 -0.041 0.000 0.679 252 V HN 0.056 nan 8.190 nan 0.000 0.458 253 L N 0.328 121.479 121.223 -0.119 0.000 2.012 253 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 253 L C 2.392 179.149 176.870 -0.188 0.000 1.073 253 L CA 2.551 57.314 54.840 -0.130 0.000 0.748 253 L CB -1.175 40.897 42.059 0.021 0.000 0.891 253 L HN 0.320 nan 8.230 nan 0.000 0.431 254 T N -0.432 113.969 114.554 -0.254 0.000 2.595 254 T HA -0.242 4.107 4.350 -0.002 0.000 0.264 254 T C 1.930 176.511 174.700 -0.197 0.000 1.058 254 T CA 1.905 63.868 62.100 -0.229 0.000 1.166 254 T CB -0.279 68.385 68.868 -0.338 0.000 0.863 254 T HN 0.124 nan 8.240 nan 0.000 0.415 255 K N 1.251 121.535 120.400 -0.193 0.000 2.160 255 K HA 0.024 4.342 4.320 -0.002 0.000 0.206 255 K C 2.145 178.573 176.600 -0.287 0.000 1.047 255 K CA 1.264 57.441 56.287 -0.184 0.000 0.930 255 K CB -0.712 31.701 32.500 -0.145 0.000 0.720 255 K HN 0.352 nan 8.250 nan 0.000 0.450 256 A N 0.020 122.624 122.820 -0.359 0.000 1.929 256 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 256 A C 2.154 179.410 177.584 -0.547 0.000 1.176 256 A CA 1.190 52.865 52.037 -0.604 0.000 0.628 256 A CB -0.433 18.216 19.000 -0.585 0.000 0.816 256 A HN 0.260 nan 8.150 nan 0.000 0.444 257 I N -0.703 119.639 120.570 -0.381 0.000 2.252 257 I HA -0.226 3.943 4.170 -0.002 0.000 0.245 257 I C 2.562 178.353 176.117 -0.543 0.000 1.102 257 I CA 1.723 62.802 61.300 -0.368 0.000 1.385 257 I CB -0.219 37.621 38.000 -0.266 0.000 1.064 257 I HN 0.541 nan 8.210 nan 0.000 0.414 258 E N 1.098 120.971 120.200 -0.545 0.000 2.028 258 E HA -0.238 4.111 4.350 -0.002 0.000 0.191 258 E C 1.692 178.162 176.600 -0.216 0.000 0.988 258 E CA 1.539 57.652 56.400 -0.477 0.000 0.799 258 E CB 0.119 29.739 29.700 -0.133 0.000 0.755 258 E HN 0.351 nan 8.360 nan 0.000 0.447 259 D N -0.159 120.119 120.400 -0.203 0.000 2.097 259 D HA -0.181 4.458 4.640 -0.002 0.000 0.195 259 D C 1.876 178.221 176.300 0.075 0.000 0.989 259 D CA 1.225 55.161 54.000 -0.107 0.000 0.827 259 D CB -0.591 40.072 40.800 -0.229 0.000 0.966 259 D HN 0.408 nan 8.370 nan 0.000 0.456 260 Y N 0.944 121.252 120.300 0.013 0.000 2.181 260 Y HA -0.206 4.342 4.550 -0.004 0.000 0.288 260 Y C 2.766 178.818 175.900 0.253 0.000 1.146 260 Y CA 0.995 59.187 58.100 0.153 0.000 1.164 260 Y CB -0.262 38.158 38.460 -0.065 0.000 0.982 260 Y HN -0.037 nan 8.280 nan 0.000 0.515 261 T N 0.149 114.876 114.554 0.288 0.000 2.643 261 T HA -0.190 4.159 4.350 -0.002 0.000 0.264 261 T C 1.571 176.357 174.700 0.143 0.000 1.045 261 T CA 1.563 63.785 62.100 0.205 0.000 1.155 261 T CB -0.408 68.448 68.868 -0.020 0.000 0.863 261 T HN 0.342 nan 8.240 nan 0.000 0.420 262 N N 0.303 119.059 118.700 0.093 0.000 2.205 262 N HA -0.101 4.638 4.740 -0.002 0.000 0.186 262 N C 1.584 177.183 175.510 0.148 0.000 1.015 262 N CA 1.012 54.122 53.050 0.101 0.000 0.862 262 N CB -0.400 38.140 38.487 0.089 0.000 0.986 262 N HN 0.488 nan 8.380 nan 0.000 0.429 263 Y N 1.335 121.695 120.300 0.101 0.000 2.153 263 Y HA -0.114 4.436 4.550 -0.000 0.000 0.289 263 Y C 2.507 178.430 175.900 0.039 0.000 1.127 263 Y CA 1.010 59.147 58.100 0.062 0.000 1.131 263 Y CB -0.640 37.872 38.460 0.085 0.000 0.995 263 Y HN 0.012 nan 8.280 nan 0.000 0.505 264 C N -0.652 118.703 119.300 0.091 0.000 2.413 264 C HA -0.187 4.272 4.460 -0.002 0.000 0.276 264 C C 2.804 177.785 174.990 -0.016 0.000 1.236 264 C CA 1.259 60.281 59.018 0.006 0.000 1.735 264 C CB -1.317 26.529 27.740 0.176 0.000 2.031 264 C HN 0.492 nan 8.230 nan 0.000 0.474 265 V N 0.383 120.334 119.914 0.062 0.000 2.295 265 V HA -0.224 3.895 4.120 -0.002 0.000 0.246 265 V C 2.508 178.651 176.094 0.082 0.000 1.049 265 V CA 2.536 64.914 62.300 0.130 0.000 1.024 265 V CB -1.222 30.713 31.823 0.186 0.000 0.648 265 V HN 0.593 nan 8.190 nan 0.000 0.447 266 T N -0.092 114.452 114.554 -0.017 0.000 2.622 266 T HA -0.225 4.124 4.350 -0.002 0.000 0.266 266 T C 1.981 176.592 174.700 -0.148 0.000 1.047 266 T CA 2.354 64.411 62.100 -0.072 0.000 1.159 266 T CB -0.466 68.345 68.868 -0.095 0.000 0.863 266 T HN 0.572 nan 8.240 nan 0.000 0.422 267 T N 1.015 115.379 114.554 -0.316 0.000 2.759 267 T HA -0.131 4.218 4.350 -0.002 0.000 0.269 267 T C 1.642 176.271 174.700 -0.118 0.000 1.042 267 T CA 1.357 63.264 62.100 -0.321 0.000 1.140 267 T CB -0.538 67.969 68.868 -0.602 0.000 0.864 267 T HN 0.473 nan 8.240 nan 0.000 0.455 268 Y N 2.285 122.502 120.300 -0.139 0.000 2.207 268 Y HA -0.125 4.424 4.550 -0.002 0.000 0.287 268 Y C 2.036 177.953 175.900 0.029 0.000 1.156 268 Y CA 1.194 59.272 58.100 -0.037 0.000 1.182 268 Y CB -0.262 38.145 38.460 -0.087 0.000 0.979 268 Y HN 0.094 nan 8.280 nan 0.000 0.521 269 K N -0.078 120.166 120.400 -0.260 0.000 2.296 269 K HA -0.069 4.250 4.320 -0.002 0.000 0.200 269 K C 2.020 178.492 176.600 -0.214 0.000 1.048 269 K CA 0.900 57.008 56.287 -0.298 0.000 0.966 269 K CB -0.018 32.414 32.500 -0.113 0.000 0.754 269 K HN 0.280 nan 8.250 nan 0.000 0.466 270 K N 0.256 120.558 120.400 -0.163 0.000 2.148 270 K HA -0.084 4.234 4.320 -0.002 0.000 0.204 270 K C 2.176 178.674 176.600 -0.169 0.000 1.050 270 K CA 1.257 57.464 56.287 -0.133 0.000 0.942 270 K CB -0.069 32.365 32.500 -0.109 0.000 0.724 270 K HN 0.241 nan 8.250 nan 0.000 0.446 271 G N 1.151 109.821 108.800 -0.217 0.000 2.394 271 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.215 271 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.215 271 G C 1.380 175.972 174.900 -0.514 0.000 1.165 271 G CA 0.166 45.031 45.100 -0.391 0.000 0.784 271 G HN 0.058 nan 8.290 nan 0.000 0.535 272 L N 1.444 122.419 121.223 -0.414 0.000 2.042 272 L HA -0.075 4.264 4.340 -0.002 0.000 0.210 272 L C 2.388 179.163 176.870 -0.160 0.000 1.076 272 L CA 1.713 56.328 54.840 -0.375 0.000 0.749 272 L CB -0.569 41.234 42.059 -0.426 0.000 0.893 272 L HN 0.329 nan 8.230 nan 0.000 0.432 273 N N -0.630 117.979 118.700 -0.152 0.000 2.354 273 N HA -0.154 4.585 4.740 -0.002 0.000 0.179 273 N C 1.966 177.411 175.510 -0.109 0.000 1.021 273 N CA 0.892 53.883 53.050 -0.098 0.000 0.887 273 N CB 0.114 38.547 38.487 -0.089 0.000 0.974 273 N HN 0.302 nan 8.380 nan 0.000 0.437 274 L N 1.678 122.813 121.223 -0.146 0.000 1.976 274 L HA -0.040 4.299 4.340 -0.002 0.000 0.209 274 L C 2.227 179.023 176.870 -0.122 0.000 1.071 274 L CA 1.419 56.180 54.840 -0.132 0.000 0.746 274 L CB -0.768 41.204 42.059 -0.145 0.000 0.890 274 L HN 0.108 nan 8.230 nan 0.000 0.432 275 I N -0.281 120.199 120.570 -0.150 0.000 2.127 275 I HA -0.335 3.834 4.170 -0.002 0.000 0.241 275 I C 2.403 178.511 176.117 -0.016 0.000 1.075 275 I CA 1.751 63.005 61.300 -0.076 0.000 1.334 275 I CB -0.497 37.458 38.000 -0.075 0.000 1.040 275 I HN 0.305 nan 8.210 nan 0.000 0.405 276 K N 0.072 120.460 120.400 -0.020 0.000 2.574 276 K HA -0.098 4.221 4.320 -0.002 0.000 0.193 276 K C 1.453 177.960 176.600 -0.155 0.000 1.035 276 K CA 0.981 57.160 56.287 -0.179 0.000 0.982 276 K CB 0.079 32.392 32.500 -0.311 0.000 0.795 276 K HN 0.230 nan 8.250 nan 0.000 0.491 277 T N -0.688 113.811 114.554 -0.092 0.000 2.971 277 T HA 0.067 4.416 4.350 -0.002 0.000 0.252 277 T C -0.113 174.558 174.700 -0.048 0.000 1.022 277 T CA 0.135 62.192 62.100 -0.072 0.000 0.980 277 T CB 0.619 69.444 68.868 -0.071 0.000 1.044 277 T HN 0.030 nan 8.240 nan 0.000 0.501 278 T N 4.601 119.130 114.554 -0.042 0.000 2.727 278 T HA 0.384 4.733 4.350 -0.002 0.000 0.298 278 T C -2.567 172.138 174.700 0.008 0.000 0.942 278 T CA -1.104 60.979 62.100 -0.028 0.000 0.997 278 T CB 1.276 70.115 68.868 -0.049 0.000 0.917 278 T HN 0.056 nan 8.240 nan 0.000 0.487 279 P HA 0.124 nan 4.420 nan 0.000 0.269 279 P C -0.468 176.866 177.300 0.057 0.000 1.209 279 P CA -0.328 62.800 63.100 0.047 0.000 0.776 279 P CB 0.498 32.220 31.700 0.037 0.000 0.876 280 D N 1.301 121.757 120.400 0.093 0.000 2.329 280 D HA 0.112 4.751 4.640 -0.002 0.000 0.232 280 D C 0.691 177.052 176.300 0.103 0.000 1.088 280 D CA -0.099 53.961 54.000 0.101 0.000 0.835 280 D CB 0.868 41.754 40.800 0.142 0.000 1.078 280 D HN 0.113 nan 8.370 nan 0.000 0.495 281 S N 3.295 119.041 115.700 0.077 0.000 2.374 281 S HA -0.224 4.245 4.470 -0.002 0.000 0.227 281 S C 1.582 176.240 174.600 0.096 0.000 1.037 281 S CA 1.273 59.517 58.200 0.072 0.000 1.024 281 S CB -0.286 62.945 63.200 0.052 0.000 0.861 281 S HN 0.653 nan 8.310 nan 0.000 0.456 282 N N 0.988 119.753 118.700 0.108 0.000 2.205 282 N HA -0.037 4.702 4.740 -0.002 0.000 0.186 282 N C 0.981 176.598 175.510 0.177 0.000 1.015 282 N CA 0.894 54.020 53.050 0.128 0.000 0.862 282 N CB -0.250 38.316 38.487 0.132 0.000 0.986 282 N HN 0.338 nan 8.380 nan 0.000 0.429 283 L N 0.501 121.843 121.223 0.199 0.000 2.653 283 L HA 0.126 4.465 4.340 -0.002 0.000 0.231 283 L C -0.218 176.850 176.870 0.330 0.000 1.153 283 L CA -0.013 55.002 54.840 0.290 0.000 0.933 283 L CB -0.023 42.175 42.059 0.231 0.000 1.175 283 L HN 0.085 nan 8.230 nan 0.000 0.473 284 D N 0.953 121.474 120.400 0.202 0.000 2.870 284 D HA -0.198 4.441 4.640 -0.002 0.000 0.228 284 D C 1.224 177.584 176.300 0.100 0.000 1.147 284 D CA 1.095 55.166 54.000 0.119 0.000 0.757 284 D CB -0.947 39.892 40.800 0.065 0.000 1.091 284 D HN 0.665 nan 8.370 nan 0.000 0.429 285 G N -0.595 108.273 108.800 0.114 0.000 2.259 285 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.217 285 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.217 285 G C 0.280 175.248 174.900 0.115 0.000 1.001 285 G CA 0.202 45.357 45.100 0.091 0.000 0.627 285 G HN 0.465 nan 8.290 nan 0.000 0.501 286 N N 1.205 120.005 118.700 0.166 0.000 2.381 286 N HA 0.299 5.038 4.740 -0.002 0.000 0.241 286 N C 0.853 176.478 175.510 0.191 0.000 1.279 286 N CA -0.294 52.870 53.050 0.190 0.000 0.896 286 N CB 0.140 38.782 38.487 0.259 0.000 1.118 286 N HN 0.207 nan 8.380 nan 0.000 0.438 287 I N 2.062 122.754 120.570 0.203 0.000 2.634 287 I HA -0.005 4.164 4.170 -0.002 0.000 0.284 287 I C 0.859 177.166 176.117 0.317 0.000 1.124 287 I CA 0.041 61.465 61.300 0.206 0.000 1.417 287 I CB -0.167 37.940 38.000 0.178 0.000 1.396 287 I HN 0.497 nan 8.210 nan 0.000 0.571 288 N N 5.356 124.231 118.700 0.291 0.000 2.500 288 N HA -0.026 4.713 4.740 -0.002 0.000 0.236 288 N C 0.623 176.356 175.510 0.373 0.000 1.022 288 N CA -0.325 52.929 53.050 0.339 0.000 0.935 288 N CB 0.373 39.002 38.487 0.236 0.000 1.147 288 N HN 0.675 nan 8.380 nan 0.000 0.512 289 W N 5.099 126.561 121.300 0.269 0.000 2.363 289 W HA -0.082 4.577 4.660 -0.001 0.000 0.296 289 W C 1.696 178.210 176.519 -0.007 0.000 1.212 289 W CA 1.336 58.771 57.345 0.149 0.000 1.260 289 W CB -0.168 29.234 29.460 -0.096 0.000 1.131 289 W HN 0.634 nan 8.180 nan 0.000 0.530 290 N N -1.249 117.231 118.700 -0.366 0.000 2.244 290 N HA -0.180 4.559 4.740 -0.002 0.000 0.183 290 N C 1.498 176.739 175.510 -0.448 0.000 1.016 290 N CA 1.811 54.395 53.050 -0.776 0.000 0.866 290 N CB -0.183 37.452 38.487 -1.421 0.000 0.980 290 N HN 0.079 nan 8.380 nan 0.000 0.430 291 T N -0.467 113.958 114.554 -0.214 0.000 2.777 291 T HA -0.145 4.204 4.350 -0.002 0.000 0.266 291 T C 1.452 176.128 174.700 -0.040 0.000 1.040 291 T CA 0.862 62.918 62.100 -0.073 0.000 1.141 291 T CB -0.432 68.444 68.868 0.015 0.000 0.868 291 T HN 0.362 nan 8.240 nan 0.000 0.444 292 Y N 2.343 122.557 120.300 -0.143 0.000 2.145 292 Y HA -0.189 4.361 4.550 -0.001 0.000 0.286 292 Y C 2.443 178.245 175.900 -0.164 0.000 1.145 292 Y CA 1.696 59.751 58.100 -0.075 0.000 1.148 292 Y CB -0.364 38.153 38.460 0.095 0.000 0.981 292 Y HN 0.160 nan 8.280 nan 0.000 0.507 293 N N -0.986 117.528 118.700 -0.309 0.000 2.188 293 N HA -0.158 4.581 4.740 -0.002 0.000 0.184 293 N C 1.637 177.026 175.510 -0.202 0.000 1.018 293 N CA 2.085 54.901 53.050 -0.391 0.000 0.858 293 N CB -0.356 37.564 38.487 -0.946 0.000 0.989 293 N HN 0.331 nan 8.380 nan 0.000 0.426 294 T N -0.783 113.666 114.554 -0.174 0.000 2.708 294 T HA -0.167 4.182 4.350 -0.002 0.000 0.266 294 T C 1.464 176.143 174.700 -0.036 0.000 1.037 294 T CA 1.326 63.381 62.100 -0.075 0.000 1.146 294 T CB -0.668 68.172 68.868 -0.045 0.000 0.865 294 T HN 0.366 nan 8.240 nan 0.000 0.435 295 Y N 2.202 122.416 120.300 -0.143 0.000 2.256 295 Y HA -0.157 4.392 4.550 -0.002 0.000 0.288 295 Y C 2.603 178.445 175.900 -0.096 0.000 1.155 295 Y CA 1.474 59.499 58.100 -0.126 0.000 1.203 295 Y CB -0.229 38.131 38.460 -0.168 0.000 0.980 295 Y HN 0.014 nan 8.280 nan 0.000 0.530 296 R N -0.822 119.581 120.500 -0.161 0.000 2.073 296 R HA -0.109 4.230 4.340 -0.002 0.000 0.229 296 R C 2.003 178.206 176.300 -0.161 0.000 1.120 296 R CA 1.932 57.955 56.100 -0.128 0.000 0.967 296 R CB -0.462 29.813 30.300 -0.042 0.000 0.862 296 R HN 0.282 nan 8.270 nan 0.000 0.436 297 T N 1.468 115.953 114.554 -0.114 0.000 2.777 297 T HA -0.063 4.286 4.350 -0.002 0.000 0.266 297 T C 1.573 176.161 174.700 -0.185 0.000 1.040 297 T CA 1.169 63.208 62.100 -0.103 0.000 1.141 297 T CB 0.007 68.850 68.868 -0.041 0.000 0.868 297 T HN 0.186 nan 8.240 nan 0.000 0.444 298 K N 1.080 121.352 120.400 -0.213 0.000 2.025 298 K HA 0.141 4.460 4.320 -0.002 0.000 0.207 298 K C 2.185 178.495 176.600 -0.484 0.000 1.049 298 K CA 0.925 57.050 56.287 -0.270 0.000 0.933 298 K CB -0.442 31.951 32.500 -0.178 0.000 0.714 298 K HN 0.314 nan 8.250 nan 0.000 0.438 299 M N 0.808 120.086 119.600 -0.537 0.000 2.319 299 M HA -0.040 4.439 4.480 -0.002 0.000 0.265 299 M C 1.949 177.903 176.300 -0.576 0.000 1.068 299 M CA 1.269 56.198 55.300 -0.618 0.000 1.118 299 M CB -1.203 30.972 32.600 -0.707 0.000 1.395 299 M HN 0.063 nan 8.290 nan 0.000 0.435 300 T N 0.831 115.101 114.554 -0.473 0.000 2.737 300 T HA -0.101 4.247 4.350 -0.002 0.000 0.265 300 T C 1.846 176.359 174.700 -0.311 0.000 1.038 300 T CA 2.192 64.055 62.100 -0.396 0.000 1.144 300 T CB -0.337 68.383 68.868 -0.247 0.000 0.866 300 T HN 0.600 nan 8.240 nan 0.000 0.434 301 T N -0.086 114.306 114.554 -0.269 0.000 3.035 301 T HA 0.276 4.625 4.350 -0.002 0.000 0.268 301 T C 1.964 176.485 174.700 -0.298 0.000 1.109 301 T CA 0.870 62.863 62.100 -0.178 0.000 1.119 301 T CB -0.188 68.626 68.868 -0.090 0.000 0.900 301 T HN 0.308 nan 8.240 nan 0.000 0.503 302 A N 0.690 123.165 122.820 -0.576 0.000 1.909 302 A HA 0.488 4.807 4.320 -0.002 0.000 0.210 302 A C 2.322 179.658 177.584 -0.414 0.000 1.273 302 A CA 0.767 52.361 52.037 -0.739 0.000 0.654 302 A CB -0.313 17.809 19.000 -1.464 0.000 0.945 302 A HN 0.341 nan 8.150 nan 0.000 0.471 303 V N 0.189 119.853 119.914 -0.416 0.000 2.543 303 V HA -0.008 4.111 4.120 -0.002 0.000 0.232 303 V C 2.418 178.306 176.094 -0.343 0.000 1.087 303 V CA 1.008 63.122 62.300 -0.309 0.000 1.113 303 V CB -1.225 30.438 31.823 -0.267 0.000 0.779 303 V HN 0.495 nan 8.190 nan 0.000 0.495 304 L N 0.487 121.460 121.223 -0.417 0.000 2.064 304 L HA -0.286 4.053 4.340 -0.002 0.000 0.216 304 L C 2.342 179.012 176.870 -0.333 0.000 1.077 304 L CA 1.953 56.561 54.840 -0.386 0.000 0.766 304 L CB -0.973 40.805 42.059 -0.469 0.000 0.890 304 L HN 0.395 nan 8.230 nan 0.000 0.435 305 D N -0.140 120.075 120.400 -0.310 0.000 2.144 305 D HA -0.147 4.492 4.640 -0.002 0.000 0.199 305 D C 2.098 178.211 176.300 -0.312 0.000 0.984 305 D CA 0.967 54.797 54.000 -0.284 0.000 0.834 305 D CB -0.076 40.587 40.800 -0.227 0.000 0.955 305 D HN 0.132 nan 8.370 nan 0.000 0.465 306 L N 0.377 121.401 121.223 -0.331 0.000 2.072 306 L HA -0.080 4.259 4.340 -0.002 0.000 0.205 306 L C 2.189 178.557 176.870 -0.837 0.000 1.079 306 L CA 1.115 55.717 54.840 -0.397 0.000 0.752 306 L CB -0.405 41.492 42.059 -0.269 0.000 0.906 306 L HN -0.124 nan 8.230 nan 0.000 0.436 307 V N -0.081 119.333 119.914 -0.832 0.000 2.490 307 V HA -0.233 3.885 4.120 -0.002 0.000 0.250 307 V C 2.686 178.481 176.094 -0.499 0.000 1.061 307 V CA 1.360 63.087 62.300 -0.955 0.000 1.064 307 V CB -1.352 30.255 31.823 -0.360 0.000 0.670 307 V HN 0.550 nan 8.190 nan 0.000 0.461 308 A N -0.355 122.256 122.820 -0.349 0.000 2.067 308 A HA -0.011 4.308 4.320 -0.002 0.000 0.219 308 A C 2.072 179.531 177.584 -0.208 0.000 1.158 308 A CA 1.258 53.164 52.037 -0.219 0.000 0.661 308 A CB -0.348 18.510 19.000 -0.237 0.000 0.801 308 A HN 0.559 nan 8.150 nan 0.000 0.452 309 L N -2.302 118.769 121.223 -0.253 0.000 2.477 309 L HA 0.142 4.480 4.340 -0.002 0.000 0.220 309 L C 1.966 178.767 176.870 -0.114 0.000 1.106 309 L CA 0.007 54.716 54.840 -0.218 0.000 0.851 309 L CB -0.404 41.592 42.059 -0.105 0.000 0.994 309 L HN 0.391 nan 8.230 nan 0.000 0.462 310 F N 1.369 121.309 119.950 -0.017 0.000 2.147 310 F HA -0.199 4.328 4.527 0.001 0.000 0.301 310 F C -0.159 175.688 175.800 0.078 0.000 1.084 310 F CA 0.811 58.906 58.000 0.159 0.000 1.268 310 F CB -1.341 37.754 39.000 0.159 0.000 1.009 310 F HN 0.190 nan 8.300 nan 0.000 0.486 311 P HA -0.148 nan 4.420 nan 0.000 0.222 311 P C 0.305 177.589 177.300 -0.026 0.000 1.147 311 P CA 1.471 64.711 63.100 0.232 0.000 0.790 311 P CB -0.214 31.669 31.700 0.305 0.000 0.780 312 N N -1.916 116.470 118.700 -0.523 0.000 2.396 312 N HA -0.131 4.607 4.740 -0.002 0.000 0.180 312 N C 0.918 176.130 175.510 -0.496 0.000 1.028 312 N CA 0.433 52.816 53.050 -1.112 0.000 0.893 312 N CB -0.361 36.658 38.487 -2.448 0.000 0.967 312 N HN 0.214 nan 8.380 nan 0.000 0.440 313 Y N 1.037 121.351 120.300 0.022 0.000 2.616 313 Y HA -0.025 4.525 4.550 0.001 0.000 0.296 313 Y C 0.844 176.871 175.900 0.211 0.000 1.154 313 Y CA 0.087 58.337 58.100 0.250 0.000 1.325 313 Y CB -0.215 38.364 38.460 0.199 0.000 1.007 313 Y HN -0.026 nan 8.280 nan 0.000 0.542 314 D N 0.620 121.228 120.400 0.347 0.000 2.455 314 D HA -0.000 4.639 4.640 -0.002 0.000 0.234 314 D C 1.270 177.780 176.300 0.350 0.000 1.224 314 D CA 0.243 54.464 54.000 0.369 0.000 0.999 314 D CB 0.472 41.474 40.800 0.336 0.000 1.072 314 D HN 0.034 nan 8.370 nan 0.000 0.514 315 V N 3.826 123.933 119.914 0.321 0.000 2.527 315 V HA -0.249 3.870 4.120 -0.002 0.000 0.255 315 V C 2.421 178.525 176.094 0.017 0.000 1.081 315 V CA 2.132 64.530 62.300 0.164 0.000 1.092 315 V CB -0.608 31.268 31.823 0.089 0.000 0.673 315 V HN 0.642 nan 8.190 nan 0.000 0.470 316 G N -0.349 108.456 108.800 0.008 0.000 2.414 316 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.215 316 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.215 316 G C 1.648 176.504 174.900 -0.074 0.000 1.188 316 G CA 0.517 45.562 45.100 -0.091 0.000 0.783 316 G HN 0.410 nan 8.290 nan 0.000 0.537 317 K N -0.272 120.074 120.400 -0.089 0.000 2.057 317 K HA -0.028 4.291 4.320 -0.002 0.000 0.206 317 K C 0.082 176.329 176.600 -0.589 0.000 1.050 317 K CA 0.729 56.755 56.287 -0.436 0.000 0.935 317 K CB -0.114 32.017 32.500 -0.615 0.000 0.715 317 K HN 0.463 nan 8.250 nan 0.000 0.439 318 Y N 0.399 120.687 120.300 -0.021 0.000 2.837 318 Y HA 0.227 4.775 4.550 -0.003 0.000 0.356 318 Y C -1.868 174.054 175.900 0.037 0.000 1.035 318 Y CA -2.315 55.788 58.100 0.006 0.000 1.165 318 Y CB 1.108 39.551 38.460 -0.027 0.000 1.147 318 Y HN 0.022 nan 8.280 nan 0.000 0.628 319 P HA -0.182 nan 4.420 nan 0.000 0.215 319 P C 1.222 178.593 177.300 0.118 0.000 1.157 319 P CA 1.604 64.756 63.100 0.086 0.000 0.868 319 P CB 0.269 31.995 31.700 0.044 0.000 0.788 320 I N -5.833 114.812 120.570 0.125 0.000 3.941 320 I HA 0.539 4.708 4.170 -0.002 0.000 0.335 320 I C 0.435 176.626 176.117 0.122 0.000 1.402 320 I CA -0.229 61.144 61.300 0.122 0.000 1.112 320 I CB -0.152 37.909 38.000 0.100 0.000 1.043 320 I HN -0.021 nan 8.210 nan 0.000 0.395 321 G N 0.953 109.842 108.800 0.149 0.000 2.515 321 G HA2 0.154 4.113 3.960 -0.002 0.000 0.686 321 G HA3 0.154 4.113 3.960 -0.002 0.000 0.686 321 G C -1.114 173.830 174.900 0.074 0.000 1.274 321 G CA -0.434 44.731 45.100 0.108 0.000 0.874 321 G HN 0.455 nan 8.290 nan 0.000 0.631 322 V N -0.909 119.007 119.914 0.002 0.000 2.969 322 V HA 0.752 4.871 4.120 -0.002 0.000 0.304 322 V C -0.488 175.545 176.094 -0.102 0.000 1.192 322 V CA -0.876 61.391 62.300 -0.055 0.000 0.962 322 V CB 1.876 33.540 31.823 -0.266 0.000 1.045 322 V HN 1.147 nan 8.190 nan 0.000 0.428 323 Q N 2.723 122.480 119.800 -0.071 0.000 2.372 323 Q HA 0.723 5.061 4.340 -0.002 0.000 0.259 323 Q C -0.332 175.648 176.000 -0.034 0.000 0.993 323 Q CA -0.050 55.706 55.803 -0.078 0.000 0.854 323 Q CB 1.645 30.326 28.738 -0.095 0.000 1.231 323 Q HN 1.142 nan 8.270 nan 0.000 0.462 324 S N 2.370 118.018 115.700 -0.086 0.000 2.677 324 S HA 0.911 5.380 4.470 -0.002 0.000 0.304 324 S C -0.794 173.745 174.600 -0.102 0.000 1.108 324 S CA -0.799 57.339 58.200 -0.104 0.000 0.944 324 S CB 1.726 64.807 63.200 -0.199 0.000 1.127 324 S HN 0.653 nan 8.310 nan 0.000 0.511 325 E N 0.100 120.225 120.200 -0.126 0.000 2.429 325 E HA 0.597 4.946 4.350 -0.002 0.000 0.276 325 E C -1.627 174.848 176.600 -0.208 0.000 0.953 325 E CA -1.207 55.102 56.400 -0.151 0.000 0.787 325 E CB 1.315 30.945 29.700 -0.116 0.000 1.307 325 E HN 0.580 nan 8.360 nan 0.000 0.458 326 L N 1.705 122.778 121.223 -0.249 0.000 2.298 326 L HA 0.350 4.689 4.340 -0.002 0.000 0.284 326 L C 0.926 177.709 176.870 -0.145 0.000 1.013 326 L CA -0.537 54.153 54.840 -0.249 0.000 0.824 326 L CB 1.647 43.461 42.059 -0.410 0.000 1.221 326 L HN 0.906 nan 8.230 nan 0.000 0.418 327 T N -1.878 112.602 114.554 -0.124 0.000 3.044 327 T HA 0.030 4.379 4.350 -0.002 0.000 0.250 327 T C 1.012 175.759 174.700 0.079 0.000 1.081 327 T CA -0.436 61.653 62.100 -0.019 0.000 1.040 327 T CB 0.040 68.880 68.868 -0.046 0.000 0.962 327 T HN 0.484 nan 8.240 nan 0.000 0.506 328 R N 2.162 122.650 120.500 -0.021 0.000 2.756 328 R HA 0.214 4.553 4.340 -0.002 0.000 0.264 328 R C -0.714 175.582 176.300 -0.006 0.000 1.026 328 R CA 0.302 56.378 56.100 -0.039 0.000 1.121 328 R CB -0.031 30.230 30.300 -0.065 0.000 0.999 328 R HN 0.455 nan 8.270 nan 0.000 0.449 329 E N 1.697 121.856 120.200 -0.068 0.000 2.212 329 E HA 0.524 4.873 4.350 -0.002 0.000 0.270 329 E C -0.226 176.275 176.600 -0.164 0.000 0.956 329 E CA -0.899 55.412 56.400 -0.149 0.000 0.825 329 E CB 1.640 31.149 29.700 -0.318 0.000 1.167 329 E HN 0.666 nan 8.360 nan 0.000 0.400 330 I N -1.528 118.920 120.570 -0.204 0.000 2.865 330 I HA 0.542 4.711 4.170 -0.002 0.000 0.302 330 I C -1.438 174.583 176.117 -0.161 0.000 1.140 330 I CA -1.041 60.212 61.300 -0.078 0.000 1.021 330 I CB 1.452 39.472 38.000 0.035 0.000 1.233 330 I HN 0.385 nan 8.210 nan 0.000 0.427 331 Y N 1.620 122.032 120.300 0.187 0.000 2.499 331 Y HA 0.613 5.162 4.550 -0.002 0.000 0.347 331 Y C -0.440 175.607 175.900 0.244 0.000 0.987 331 Y CA -0.759 57.486 58.100 0.242 0.000 1.044 331 Y CB 1.857 40.429 38.460 0.187 0.000 1.245 331 Y HN 0.506 nan 8.280 nan 0.000 0.461 332 Q N 1.541 121.639 119.800 0.497 0.000 2.365 332 Q HA 0.698 5.037 4.340 -0.002 0.000 0.269 332 Q C -1.296 174.942 176.000 0.396 0.000 1.061 332 Q CA -1.199 54.862 55.803 0.429 0.000 0.816 332 Q CB 3.413 32.489 28.738 0.563 0.000 1.325 332 Q HN 0.603 nan 8.270 nan 0.000 0.446 333 V N 2.020 122.168 119.914 0.391 0.000 2.815 333 V HA 0.767 4.885 4.120 -0.002 0.000 0.314 333 V C -1.753 174.627 176.094 0.477 0.000 1.064 333 V CA -0.770 61.764 62.300 0.390 0.000 0.952 333 V CB 1.884 33.963 31.823 0.427 0.000 1.020 333 V HN 0.676 nan 8.190 nan 0.000 0.439 334 L N 4.913 126.408 121.223 0.453 0.000 2.386 334 L HA 0.724 5.062 4.340 -0.002 0.000 0.271 334 L C 0.093 177.208 176.870 0.408 0.000 0.993 334 L CA 0.265 55.413 54.840 0.514 0.000 0.819 334 L CB 1.544 43.960 42.059 0.596 0.000 1.294 334 L HN 0.901 nan 8.230 nan 0.000 0.414 335 N N 2.766 121.668 118.700 0.337 0.000 2.776 335 N HA -0.302 4.436 4.740 -0.002 0.000 0.250 335 N C 0.505 176.135 175.510 0.200 0.000 1.112 335 N CA 1.459 54.644 53.050 0.224 0.000 0.733 335 N CB -1.684 36.928 38.487 0.209 0.000 1.097 335 N HN 0.775 nan 8.380 nan 0.000 0.558 336 F N 1.591 121.634 119.950 0.155 0.000 2.084 336 F HA -0.100 4.426 4.527 -0.001 0.000 0.296 336 F C 2.050 177.904 175.800 0.089 0.000 1.111 336 F CA 1.987 60.076 58.000 0.148 0.000 1.224 336 F CB -0.019 39.109 39.000 0.213 0.000 0.991 336 F HN 0.045 nan 8.300 nan 0.000 0.471 337 E N 0.178 120.396 120.200 0.030 0.000 2.150 337 E HA -0.154 4.195 4.350 -0.002 0.000 0.193 337 E C 1.597 178.114 176.600 -0.138 0.000 0.985 337 E CA 1.510 57.875 56.400 -0.060 0.000 0.814 337 E CB -0.299 29.518 29.700 0.195 0.000 0.752 337 E HN 0.550 nan 8.360 nan 0.000 0.466 338 E N 0.165 120.227 120.200 -0.230 0.000 2.444 338 E HA 0.168 4.517 4.350 -0.002 0.000 0.191 338 E C -0.387 176.099 176.600 -0.190 0.000 1.041 338 E CA -0.090 56.081 56.400 -0.381 0.000 0.883 338 E CB 0.586 29.945 29.700 -0.569 0.000 1.024 338 E HN -0.006 nan 8.360 nan 0.000 0.470 339 S N 0.917 116.508 115.700 -0.181 0.000 2.566 339 S HA 0.242 4.710 4.470 -0.002 0.000 0.298 339 S C -1.861 172.543 174.600 -0.328 0.000 1.083 339 S CA -1.232 56.856 58.200 -0.187 0.000 0.978 339 S CB 1.882 65.074 63.200 -0.013 0.000 1.073 339 S HN 0.022 nan 8.310 nan 0.000 0.491 340 P HA -0.041 nan 4.420 nan 0.000 0.227 340 P C 0.631 177.707 177.300 -0.374 0.000 1.161 340 P CA 0.905 63.805 63.100 -0.334 0.000 0.788 340 P CB -0.107 31.449 31.700 -0.240 0.000 0.822 341 Y N 2.666 122.790 120.300 -0.293 0.000 2.425 341 Y HA -0.217 4.332 4.550 -0.002 0.000 0.285 341 Y C 2.375 178.210 175.900 -0.107 0.000 1.170 341 Y CA 1.357 59.276 58.100 -0.301 0.000 1.304 341 Y CB -1.267 36.947 38.460 -0.410 0.000 0.972 341 Y HN 0.148 nan 8.280 nan 0.000 0.558 342 K N -0.690 119.573 120.400 -0.228 0.000 2.442 342 K HA -0.140 4.179 4.320 -0.002 0.000 0.198 342 K C 0.725 177.269 176.600 -0.092 0.000 1.042 342 K CA 1.477 57.617 56.287 -0.244 0.000 0.958 342 K CB -0.530 31.473 32.500 -0.828 0.000 0.766 342 K HN 0.430 nan 8.250 nan 0.000 0.474 343 Y N -0.249 120.150 120.300 0.164 0.000 2.462 343 Y HA 0.142 4.691 4.550 -0.002 0.000 0.261 343 Y C 0.348 176.332 175.900 0.141 0.000 1.146 343 Y CA -0.948 57.234 58.100 0.136 0.000 1.283 343 Y CB 0.232 38.724 38.460 0.054 0.000 1.090 343 Y HN -0.102 nan 8.280 nan 0.000 0.526 344 Y N 0.887 121.282 120.300 0.159 0.000 2.289 344 Y HA 0.098 4.646 4.550 -0.002 0.000 0.332 344 Y C 0.619 176.607 175.900 0.147 0.000 1.324 344 Y CA -1.608 56.561 58.100 0.114 0.000 1.478 344 Y CB 0.129 38.662 38.460 0.121 0.000 1.378 344 Y HN -0.078 nan 8.280 nan 0.000 0.558 345 D N 0.039 120.597 120.400 0.263 0.000 2.449 345 D HA -0.109 4.529 4.640 -0.002 0.000 0.236 345 D C 0.788 177.261 176.300 0.288 0.000 1.149 345 D CA 0.361 54.507 54.000 0.243 0.000 0.878 345 D CB 0.342 41.254 40.800 0.188 0.000 1.198 345 D HN 0.410 nan 8.370 nan 0.000 0.446 346 F N 2.542 122.581 119.950 0.148 0.000 2.026 346 F HA -0.238 4.287 4.527 -0.002 0.000 0.296 346 F C 2.210 178.054 175.800 0.074 0.000 1.133 346 F CA 1.792 59.870 58.000 0.130 0.000 1.188 346 F CB -0.417 38.629 39.000 0.078 0.000 0.968 346 F HN 0.457 nan 8.300 nan 0.000 0.476 347 Q N -0.534 119.442 119.800 0.293 0.000 2.248 347 Q HA -0.282 4.056 4.340 -0.002 0.000 0.208 347 Q C 1.912 177.900 176.000 -0.020 0.000 0.984 347 Q CA 2.063 57.944 55.803 0.130 0.000 0.875 347 Q CB -0.994 27.872 28.738 0.213 0.000 0.910 347 Q HN 0.714 nan 8.270 nan 0.000 0.433 348 Y N 0.233 120.486 120.300 -0.079 0.000 2.163 348 Y HA -0.188 4.361 4.550 -0.002 0.000 0.288 348 Y C 1.945 177.685 175.900 -0.267 0.000 1.136 348 Y CA 2.102 60.141 58.100 -0.102 0.000 1.147 348 Y CB -0.149 38.318 38.460 0.010 0.000 0.987 348 Y HN 0.205 nan 8.280 nan 0.000 0.509 349 Q N -0.311 119.213 119.800 -0.459 0.000 2.084 349 Q HA -0.233 4.106 4.340 -0.002 0.000 0.202 349 Q C 2.175 177.550 176.000 -1.041 0.000 0.978 349 Q CA 1.762 57.038 55.803 -0.879 0.000 0.844 349 Q CB -0.198 27.931 28.738 -1.015 0.000 0.898 349 Q HN 0.441 nan 8.270 nan 0.000 0.426 350 E N 1.204 120.888 120.200 -0.860 0.000 2.058 350 E HA -0.224 4.125 4.350 -0.002 0.000 0.194 350 E C 1.343 177.737 176.600 -0.343 0.000 0.997 350 E CA 1.768 57.894 56.400 -0.457 0.000 0.801 350 E CB -0.132 29.393 29.700 -0.293 0.000 0.746 350 E HN 0.245 nan 8.360 nan 0.000 0.450 351 D N -0.598 119.611 120.400 -0.318 0.000 2.123 351 D HA -0.137 4.502 4.640 -0.002 0.000 0.196 351 D C 1.946 178.067 176.300 -0.299 0.000 0.992 351 D CA 1.856 55.711 54.000 -0.241 0.000 0.833 351 D CB -0.462 40.224 40.800 -0.190 0.000 0.954 351 D HN 0.340 nan 8.370 nan 0.000 0.455 352 S N -1.012 114.402 115.700 -0.476 0.000 2.548 352 S HA 0.125 4.594 4.470 -0.002 0.000 0.215 352 S C 1.723 176.087 174.600 -0.394 0.000 0.976 352 S CA -0.064 57.878 58.200 -0.430 0.000 0.908 352 S CB 0.064 62.900 63.200 -0.607 0.000 0.781 352 S HN 0.167 nan 8.310 nan 0.000 0.519 353 L N 1.598 122.537 121.223 -0.475 0.000 2.731 353 L HA 0.290 4.629 4.340 -0.002 0.000 0.240 353 L C 0.893 177.543 176.870 -0.367 0.000 1.120 353 L CA 0.315 54.895 54.840 -0.432 0.000 0.913 353 L CB 0.554 42.227 42.059 -0.642 0.000 1.213 353 L HN 0.448 nan 8.230 nan 0.000 0.515 354 T N -2.650 111.681 114.554 -0.371 0.000 2.883 354 T HA 0.572 4.921 4.350 -0.002 0.000 0.284 354 T C -0.210 174.417 174.700 -0.122 0.000 1.041 354 T CA -0.869 60.927 62.100 -0.508 0.000 1.007 354 T CB 2.003 70.514 68.868 -0.596 0.000 1.220 354 T HN -0.057 nan 8.240 nan 0.000 0.552 355 R N 0.195 120.738 120.500 0.072 0.000 2.460 355 R HA 0.578 4.917 4.340 -0.002 0.000 0.303 355 R C -0.075 176.265 176.300 0.068 0.000 0.968 355 R CA -0.882 55.243 56.100 0.041 0.000 0.889 355 R CB 1.507 31.796 30.300 -0.019 0.000 1.123 355 R HN 0.506 nan 8.270 nan 0.000 0.455 356 R N 2.284 122.809 120.500 0.041 0.000 2.734 356 R HA 0.081 4.420 4.340 -0.002 0.000 0.266 356 R C -2.124 174.200 176.300 0.039 0.000 1.044 356 R CA -1.123 55.000 56.100 0.038 0.000 1.128 356 R CB 0.123 30.441 30.300 0.030 0.000 1.010 356 R HN 0.340 nan 8.270 nan 0.000 0.461 357 P HA -0.113 nan 4.420 nan 0.000 0.261 357 P C -1.079 176.184 177.300 -0.061 0.000 1.165 357 P CA 1.027 64.063 63.100 -0.107 0.000 0.759 357 P CB 0.317 31.979 31.700 -0.064 0.000 0.772 358 H N 1.127 120.149 119.070 -0.080 0.000 2.942 358 H HA 0.452 5.007 4.556 -0.002 0.000 0.316 358 H C -0.966 174.295 175.328 -0.112 0.000 1.323 358 H CA -1.183 54.817 56.048 -0.080 0.000 1.144 358 H CB 0.463 30.175 29.762 -0.083 0.000 1.866 358 H HN 0.090 nan 8.280 nan 0.000 0.545 359 L N 1.363 122.639 121.223 0.088 0.000 2.380 359 L HA 0.127 4.465 4.340 -0.002 0.000 0.273 359 L C 0.323 177.299 176.870 0.176 0.000 1.138 359 L CA -0.688 54.108 54.840 -0.074 0.000 0.832 359 L CB 0.201 41.953 42.059 -0.513 0.000 1.124 359 L HN 0.405 nan 8.230 nan 0.000 0.454 360 F N 2.682 122.616 119.950 -0.026 0.000 2.623 360 F HA -0.029 4.498 4.527 -0.002 0.000 0.386 360 F C 0.828 176.614 175.800 -0.024 0.000 1.068 360 F CA 0.200 58.166 58.000 -0.057 0.000 1.265 360 F CB 0.488 39.378 39.000 -0.183 0.000 1.026 360 F HN 0.537 nan 8.300 nan 0.000 0.568 361 T N 2.384 116.523 114.554 -0.692 0.000 2.908 361 T HA 0.548 4.897 4.350 -0.002 0.000 0.290 361 T C -1.239 173.036 174.700 -0.709 0.000 1.034 361 T CA -0.822 61.050 62.100 -0.379 0.000 1.010 361 T CB 1.036 69.747 68.868 -0.261 0.000 1.068 361 T HN 0.534 nan 8.240 nan 0.000 0.481 362 W N 1.669 122.871 121.300 -0.164 0.000 2.573 362 W HA 0.597 5.255 4.660 -0.002 0.000 0.326 362 W C -0.457 176.036 176.519 -0.042 0.000 1.049 362 W CA -1.254 56.016 57.345 -0.125 0.000 1.220 362 W CB 1.364 30.710 29.460 -0.190 0.000 1.373 362 W HN 0.566 nan 8.180 nan 0.000 0.507 363 L N 4.517 125.912 121.223 0.286 0.000 2.407 363 L HA 0.121 4.460 4.340 -0.002 0.000 0.282 363 L C 0.859 177.885 176.870 0.261 0.000 1.110 363 L CA 0.720 55.708 54.840 0.247 0.000 0.863 363 L CB -0.026 42.126 42.059 0.156 0.000 1.207 363 L HN 0.460 nan 8.230 nan 0.000 0.454 364 D N 1.413 121.981 120.400 0.280 0.000 2.103 364 D HA 0.003 4.642 4.640 -0.002 0.000 0.199 364 D C 0.340 176.696 176.300 0.094 0.000 0.978 364 D CA 1.412 55.547 54.000 0.225 0.000 0.829 364 D CB 0.341 41.278 40.800 0.228 0.000 0.981 364 D HN 0.631 nan 8.370 nan 0.000 0.464 365 S N -0.957 114.780 115.700 0.062 0.000 2.567 365 S HA 0.506 4.975 4.470 -0.002 0.000 0.270 365 S C -1.446 173.109 174.600 -0.075 0.000 1.152 365 S CA -1.011 57.167 58.200 -0.037 0.000 0.835 365 S CB 1.758 64.927 63.200 -0.051 0.000 1.115 365 S HN -0.075 nan 8.310 nan 0.000 0.459 366 L N 2.502 123.638 121.223 -0.145 0.000 2.296 366 L HA 0.556 4.895 4.340 -0.002 0.000 0.286 366 L C -0.690 176.064 176.870 -0.192 0.000 1.023 366 L CA -0.445 54.325 54.840 -0.116 0.000 0.812 366 L CB 1.210 43.260 42.059 -0.016 0.000 1.223 366 L HN 0.770 nan 8.230 nan 0.000 0.421 367 N N 4.873 123.315 118.700 -0.429 0.000 2.569 367 N HA 0.341 5.080 4.740 -0.002 0.000 0.254 367 N C -1.367 173.711 175.510 -0.720 0.000 1.004 367 N CA -0.249 52.383 53.050 -0.698 0.000 0.904 367 N CB 1.339 38.969 38.487 -1.429 0.000 1.165 367 N HN 0.230 nan 8.380 nan 0.000 0.513 368 F N 1.744 121.325 119.950 -0.614 0.000 2.427 368 F HA 0.377 4.903 4.527 -0.002 0.000 0.346 368 F C 0.143 175.771 175.800 -0.286 0.000 1.120 368 F CA -0.707 56.975 58.000 -0.530 0.000 1.033 368 F CB 0.726 38.977 39.000 -1.249 0.000 1.126 368 F HN 0.299 nan 8.300 nan 0.000 0.462 369 Y N 1.962 122.369 120.300 0.178 0.000 2.304 369 Y HA 0.338 4.887 4.550 -0.002 0.000 0.328 369 Y C 0.540 176.727 175.900 0.479 0.000 1.123 369 Y CA -0.624 57.640 58.100 0.273 0.000 1.218 369 Y CB 0.748 39.333 38.460 0.207 0.000 1.207 369 Y HN 0.572 nan 8.280 nan 0.000 0.495 370 E N 1.747 122.255 120.200 0.513 0.000 2.264 370 E HA 0.508 4.856 4.350 -0.002 0.000 0.260 370 E C -1.292 175.382 176.600 0.122 0.000 0.961 370 E CA -1.344 55.219 56.400 0.271 0.000 0.834 370 E CB 1.407 31.186 29.700 0.130 0.000 1.230 370 E HN 0.406 nan 8.360 nan 0.000 0.412 371 K N -0.045 120.311 120.400 -0.073 0.000 2.185 371 K HA 0.250 4.569 4.320 -0.002 0.000 0.271 371 K C 0.719 177.283 176.600 -0.060 0.000 1.013 371 K CA 0.215 56.439 56.287 -0.105 0.000 0.943 371 K CB 1.186 33.518 32.500 -0.280 0.000 0.998 371 K HN 0.664 nan 8.250 nan 0.000 0.468 372 A N 2.947 125.750 122.820 -0.029 0.000 2.024 372 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 372 A C 1.019 178.580 177.584 -0.038 0.000 1.164 372 A CA 1.105 53.133 52.037 -0.015 0.000 0.643 372 A CB -0.691 18.305 19.000 -0.005 0.000 0.806 372 A HN 0.870 nan 8.150 nan 0.000 0.451 373 Q N -1.166 118.593 119.800 -0.067 0.000 2.730 373 Q HA 0.129 4.468 4.340 -0.002 0.000 0.255 373 Q C 0.208 176.165 176.000 -0.071 0.000 1.155 373 Q CA 1.188 56.949 55.803 -0.071 0.000 1.035 373 Q CB 0.032 28.711 28.738 -0.098 0.000 1.335 373 Q HN 0.145 nan 8.270 nan 0.000 0.556 374 T N -1.068 113.448 114.554 -0.064 0.000 2.993 374 T HA 0.079 4.428 4.350 -0.002 0.000 0.260 374 T C -0.061 174.598 174.700 -0.068 0.000 0.939 374 T CA 0.396 62.460 62.100 -0.060 0.000 0.886 374 T CB 0.315 69.159 68.868 -0.039 0.000 1.209 374 T HN 0.864 nan 8.240 nan 0.000 0.518 375 T N 2.139 116.653 114.554 -0.067 0.000 2.903 375 T HA 0.310 4.658 4.350 -0.002 0.000 0.314 375 T C -2.619 172.021 174.700 -0.101 0.000 1.078 375 T CA -1.210 60.850 62.100 -0.067 0.000 1.114 375 T CB 0.099 68.938 68.868 -0.049 0.000 0.987 375 T HN -0.098 nan 8.240 nan 0.000 0.548 376 P HA 0.067 nan 4.420 nan 0.000 0.271 376 P C 0.280 177.444 177.300 -0.228 0.000 1.228 376 P CA 0.058 63.069 63.100 -0.149 0.000 0.797 376 P CB 0.121 31.744 31.700 -0.127 0.000 0.914 377 N N -2.155 116.367 118.700 -0.296 0.000 2.815 377 N HA -0.159 4.580 4.740 -0.002 0.000 0.248 377 N C -0.258 175.094 175.510 -0.262 0.000 1.110 377 N CA 0.539 53.338 53.050 -0.418 0.000 0.699 377 N CB -1.835 36.120 38.487 -0.887 0.000 1.040 377 N HN 0.474 nan 8.380 nan 0.000 0.555 378 N N 0.631 119.178 118.700 -0.255 0.000 2.493 378 N HA 0.608 5.347 4.740 -0.002 0.000 0.275 378 N C -0.197 175.143 175.510 -0.284 0.000 1.186 378 N CA 0.173 53.005 53.050 -0.362 0.000 0.978 378 N CB 0.644 38.947 38.487 -0.307 0.000 1.184 378 N HN 0.186 nan 8.380 nan 0.000 0.487 379 F N -1.064 118.740 119.950 -0.243 0.000 2.711 379 F HA 0.525 5.051 4.527 -0.002 0.000 0.313 379 F C -1.334 174.328 175.800 -0.230 0.000 1.141 379 F CA -1.465 56.366 58.000 -0.280 0.000 0.941 379 F CB 0.343 39.286 39.000 -0.095 0.000 1.349 379 F HN 0.155 nan 8.300 nan 0.000 0.464 380 F N 1.482 121.727 119.950 0.492 0.000 2.438 380 F HA 0.304 4.830 4.527 -0.002 0.000 0.360 380 F C 1.596 177.738 175.800 0.570 0.000 1.118 380 F CA -0.168 58.110 58.000 0.462 0.000 1.164 380 F CB 1.394 40.704 39.000 0.515 0.000 1.131 380 F HN 0.719 nan 8.300 nan 0.000 0.527 381 T N 1.357 116.294 114.554 0.638 0.000 2.708 381 T HA -0.103 4.246 4.350 -0.002 0.000 0.266 381 T C 0.720 175.700 174.700 0.466 0.000 1.037 381 T CA 1.676 64.088 62.100 0.520 0.000 1.146 381 T CB -0.002 69.078 68.868 0.354 0.000 0.865 381 T HN 0.672 nan 8.240 nan 0.000 0.435 382 S N 0.190 116.175 115.700 0.476 0.000 2.752 382 S HA 0.632 5.100 4.470 -0.002 0.000 0.284 382 S C -1.318 173.481 174.600 0.332 0.000 1.189 382 S CA -1.061 57.368 58.200 0.382 0.000 0.835 382 S CB 2.531 65.883 63.200 0.253 0.000 1.192 382 S HN 0.650 nan 8.310 nan 0.000 0.506 383 H N -1.353 117.708 119.070 -0.015 0.000 2.950 383 H HA 0.628 5.183 4.556 -0.002 0.000 0.307 383 H C -2.053 173.208 175.328 -0.112 0.000 1.403 383 H CA -0.799 55.018 56.048 -0.386 0.000 1.145 383 H CB 0.478 29.438 29.762 -1.336 0.000 1.844 383 H HN 1.188 nan 8.280 nan 0.000 0.515 384 Y N -0.304 119.791 120.300 -0.341 0.000 2.624 384 Y HA 0.540 5.088 4.550 -0.002 0.000 0.334 384 Y C -1.697 174.087 175.900 -0.193 0.000 1.155 384 Y CA -1.182 56.761 58.100 -0.262 0.000 1.046 384 Y CB 1.038 39.397 38.460 -0.169 0.000 1.316 384 Y HN 0.664 nan 8.280 nan 0.000 0.457 385 N N 2.855 121.597 118.700 0.069 0.000 2.417 385 N HA 0.483 5.222 4.740 -0.002 0.000 0.300 385 N C -1.228 174.473 175.510 0.318 0.000 1.102 385 N CA -0.683 52.384 53.050 0.028 0.000 0.886 385 N CB 1.784 40.076 38.487 -0.324 0.000 1.203 385 N HN 0.522 nan 8.380 nan 0.000 0.496 386 M N 2.365 122.121 119.600 0.260 0.000 2.243 386 M HA 0.470 4.949 4.480 -0.002 0.000 0.324 386 M C -0.861 175.616 176.300 0.294 0.000 1.031 386 M CA -0.559 54.862 55.300 0.201 0.000 0.949 386 M CB 0.444 33.121 32.600 0.127 0.000 1.615 386 M HN 0.566 nan 8.290 nan 0.000 0.430 387 F N 0.716 120.736 119.950 0.118 0.000 2.711 387 F HA 0.820 5.346 4.527 -0.002 0.000 0.313 387 F C -1.012 174.867 175.800 0.132 0.000 1.141 387 F CA -0.951 57.124 58.000 0.124 0.000 0.941 387 F CB 1.512 40.563 39.000 0.085 0.000 1.349 387 F HN 0.685 nan 8.300 nan 0.000 0.464 388 H N -1.365 117.870 119.070 0.275 0.000 3.012 388 H HA 0.409 4.964 4.556 -0.002 0.000 0.367 388 H C -1.894 173.692 175.328 0.430 0.000 1.211 388 H CA -1.029 55.106 56.048 0.144 0.000 1.139 388 H CB 1.119 30.953 29.762 0.119 0.000 1.838 388 H HN 0.883 nan 8.280 nan 0.000 0.550 389 Y N 0.655 121.187 120.300 0.386 0.000 2.330 389 Y HA 0.048 4.597 4.550 -0.002 0.000 0.341 389 Y C 1.175 177.398 175.900 0.539 0.000 1.278 389 Y CA -0.463 57.864 58.100 0.378 0.000 1.453 389 Y CB 0.797 39.428 38.460 0.286 0.000 1.342 389 Y HN 0.521 nan 8.280 nan 0.000 0.590 390 T N 3.703 118.701 114.554 0.740 0.000 2.871 390 T HA -0.005 4.344 4.350 -0.002 0.000 0.296 390 T C 0.585 175.540 174.700 0.426 0.000 0.998 390 T CA 0.241 62.745 62.100 0.673 0.000 1.162 390 T CB -0.273 68.946 68.868 0.585 0.000 0.947 390 T HN 0.616 nan 8.240 nan 0.000 0.536 391 L N 0.761 122.175 121.223 0.318 0.000 4.001 391 L HA -0.194 4.145 4.340 -0.002 0.000 0.413 391 L C 0.235 177.212 176.870 0.179 0.000 1.185 391 L CA 0.276 55.224 54.840 0.180 0.000 0.963 391 L CB -1.258 40.875 42.059 0.123 0.000 1.976 391 L HN 0.656 nan 8.230 nan 0.000 0.939 392 D N 0.398 120.953 120.400 0.259 0.000 2.168 392 D HA 0.245 4.884 4.640 -0.002 0.000 0.246 392 D C 1.038 177.380 176.300 0.069 0.000 1.050 392 D CA -0.355 53.763 54.000 0.197 0.000 0.857 392 D CB 0.747 41.727 40.800 0.301 0.000 1.169 392 D HN 0.336 nan 8.370 nan 0.000 0.453 393 N N 2.964 121.676 118.700 0.020 0.000 2.313 393 N HA 0.107 4.846 4.740 -0.002 0.000 0.207 393 N C -0.219 175.260 175.510 -0.051 0.000 1.141 393 N CA -0.198 52.824 53.050 -0.047 0.000 0.830 393 N CB 0.243 38.709 38.487 -0.034 0.000 1.008 393 N HN 0.242 nan 8.380 nan 0.000 0.481 394 I N 0.634 121.187 120.570 -0.028 0.000 2.378 394 I HA 0.136 4.305 4.170 -0.002 0.000 0.291 394 I C -0.289 175.781 176.117 -0.079 0.000 0.992 394 I CA -0.907 60.361 61.300 -0.054 0.000 1.154 394 I CB 1.890 39.861 38.000 -0.047 0.000 1.315 394 I HN 0.004 nan 8.210 nan 0.000 0.448 395 S N 6.173 121.810 115.700 -0.105 0.000 2.420 395 S HA 0.357 4.826 4.470 -0.002 0.000 0.313 395 S C -0.298 174.141 174.600 -0.268 0.000 1.079 395 S CA -0.624 57.499 58.200 -0.128 0.000 1.104 395 S CB 0.398 63.557 63.200 -0.070 0.000 0.969 395 S HN 0.538 nan 8.310 nan 0.000 0.471 396 Q N 2.945 122.425 119.800 -0.533 0.000 2.312 396 Q HA 0.392 4.731 4.340 -0.002 0.000 0.236 396 Q C -0.343 175.223 176.000 -0.723 0.000 0.965 396 Q CA -0.368 55.010 55.803 -0.708 0.000 0.894 396 Q CB 1.018 29.134 28.738 -1.037 0.000 1.225 396 Q HN 0.540 nan 8.270 nan 0.000 0.478 397 K N 0.641 120.804 120.400 -0.395 0.000 2.259 397 K HA 0.372 4.691 4.320 -0.002 0.000 0.252 397 K C -0.556 176.083 176.600 0.065 0.000 0.936 397 K CA -0.431 55.768 56.287 -0.148 0.000 0.810 397 K CB 1.474 33.858 32.500 -0.194 0.000 1.143 397 K HN 0.784 nan 8.250 nan 0.000 0.427 398 S N 1.552 117.420 115.700 0.280 0.000 2.646 398 S HA 0.342 4.811 4.470 -0.002 0.000 0.273 398 S C 0.103 174.701 174.600 -0.003 0.000 1.168 398 S CA -0.633 57.763 58.200 0.327 0.000 1.013 398 S CB 1.087 64.569 63.200 0.470 0.000 1.098 398 S HN 0.520 nan 8.310 nan 0.000 0.544 399 S N -0.308 115.274 115.700 -0.198 0.000 2.614 399 S HA 0.369 4.838 4.470 -0.002 0.000 0.265 399 S C -0.426 173.822 174.600 -0.586 0.000 1.303 399 S CA -0.710 57.202 58.200 -0.479 0.000 1.000 399 S CB 0.722 63.478 63.200 -0.739 0.000 0.935 399 S HN 0.566 nan 8.310 nan 0.000 0.551 400 V N 3.652 123.300 119.914 -0.444 0.000 2.304 400 V HA 0.276 4.395 4.120 -0.002 0.000 0.262 400 V C -0.494 175.395 176.094 -0.342 0.000 1.061 400 V CA -0.263 61.880 62.300 -0.262 0.000 0.872 400 V CB -1.121 30.633 31.823 -0.115 0.000 1.077 400 V HN 0.589 nan 8.190 nan 0.000 0.480 401 F N 2.560 122.325 119.950 -0.308 0.000 2.435 401 F HA 0.644 5.170 4.527 -0.002 0.000 0.316 401 F C 1.360 177.101 175.800 -0.098 0.000 1.220 401 F CA 1.197 59.047 58.000 -0.250 0.000 1.241 401 F CB 0.163 38.941 39.000 -0.370 0.000 1.234 401 F HN 0.729 nan 8.300 nan 0.000 0.569 402 G N 0.902 109.796 108.800 0.157 0.000 2.660 402 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.215 402 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.215 402 G C -0.811 174.177 174.900 0.147 0.000 1.345 402 G CA -0.298 44.903 45.100 0.168 0.000 0.877 402 G HN 1.005 nan 8.290 nan 0.000 0.549 403 N N -0.278 118.539 118.700 0.196 0.000 2.976 403 N HA 0.246 4.985 4.740 -0.002 0.000 0.255 403 N C 0.166 175.787 175.510 0.184 0.000 1.312 403 N CA -0.402 52.751 53.050 0.173 0.000 0.897 403 N CB 0.007 38.613 38.487 0.199 0.000 1.184 403 N HN 0.746 nan 8.380 nan 0.000 0.497 404 H N 3.246 122.323 119.070 0.011 0.000 3.138 404 H HA 0.021 4.576 4.556 -0.002 0.000 0.275 404 H C -0.177 175.096 175.328 -0.093 0.000 0.997 404 H CA -0.247 55.745 56.048 -0.093 0.000 1.460 404 H CB 0.394 30.021 29.762 -0.224 0.000 1.524 404 H HN 0.572 nan 8.280 nan 0.000 0.532 405 N N 3.377 121.978 118.700 -0.165 0.000 2.294 405 N HA -0.053 4.686 4.740 -0.002 0.000 0.248 405 N C 0.934 176.111 175.510 -0.556 0.000 1.300 405 N CA -0.353 52.559 53.050 -0.231 0.000 0.925 405 N CB 0.953 39.390 38.487 -0.083 0.000 1.188 405 N HN 0.351 nan 8.380 nan 0.000 0.512 406 V N -0.972 118.741 119.914 -0.336 0.000 3.660 406 V HA -0.000 4.119 4.120 -0.002 0.000 0.276 406 V C 1.475 177.477 176.094 -0.154 0.000 1.317 406 V CA 0.841 62.948 62.300 -0.320 0.000 1.097 406 V CB -0.304 31.405 31.823 -0.191 0.000 0.863 406 V HN 0.871 nan 8.190 nan 0.000 0.438 407 T N -1.797 112.700 114.554 -0.096 0.000 3.266 407 T HA 0.239 4.587 4.350 -0.002 0.000 0.278 407 T C -0.095 174.624 174.700 0.031 0.000 1.010 407 T CA -0.494 61.594 62.100 -0.019 0.000 0.909 407 T CB -0.388 68.469 68.868 -0.019 0.000 1.122 407 T HN 0.478 nan 8.240 nan 0.000 0.536 408 D N 0.505 120.949 120.400 0.073 0.000 2.277 408 D HA 0.435 5.074 4.640 -0.002 0.000 0.250 408 D C -0.276 176.205 176.300 0.301 0.000 1.032 408 D CA -0.814 53.294 54.000 0.180 0.000 0.947 408 D CB 1.081 42.027 40.800 0.244 0.000 1.159 408 D HN 0.063 nan 8.370 nan 0.000 0.460 409 K N 0.181 120.744 120.400 0.273 0.000 2.172 409 K HA 0.344 4.663 4.320 -0.002 0.000 0.276 409 K C -0.846 175.904 176.600 0.250 0.000 1.013 409 K CA -1.049 55.382 56.287 0.239 0.000 0.913 409 K CB 1.341 33.925 32.500 0.139 0.000 1.055 409 K HN 0.273 nan 8.250 nan 0.000 0.461 410 L N 3.982 125.273 121.223 0.114 0.000 2.265 410 L HA 0.185 4.524 4.340 -0.002 0.000 0.288 410 L C -0.726 176.095 176.870 -0.082 0.000 1.058 410 L CA 0.220 54.961 54.840 -0.164 0.000 0.809 410 L CB 0.429 42.339 42.059 -0.248 0.000 1.179 410 L HN 0.308 nan 8.230 nan 0.000 0.429 411 K N 3.814 124.163 120.400 -0.084 0.000 2.404 411 K HA 0.329 4.648 4.320 -0.002 0.000 0.257 411 K C -0.686 175.832 176.600 -0.136 0.000 1.026 411 K CA -0.162 56.109 56.287 -0.026 0.000 0.951 411 K CB 1.430 34.013 32.500 0.140 0.000 1.203 411 K HN 0.609 nan 8.250 nan 0.000 0.446 412 S N 2.749 118.366 115.700 -0.139 0.000 2.608 412 S HA 0.614 5.083 4.470 -0.002 0.000 0.291 412 S C -1.027 173.480 174.600 -0.155 0.000 1.146 412 S CA -0.786 57.309 58.200 -0.174 0.000 1.043 412 S CB 0.634 63.735 63.200 -0.165 0.000 1.037 412 S HN 0.448 nan 8.310 nan 0.000 0.520 413 L N 4.427 125.530 121.223 -0.199 0.000 2.377 413 L HA 0.769 5.107 4.340 -0.002 0.000 0.270 413 L C 0.180 176.922 176.870 -0.214 0.000 0.991 413 L CA 0.004 54.697 54.840 -0.245 0.000 0.851 413 L CB 0.937 42.730 42.059 -0.442 0.000 1.218 413 L HN 0.743 nan 8.230 nan 0.000 0.420 414 G N 4.553 113.263 108.800 -0.150 0.000 2.547 414 G HA2 0.662 4.621 3.960 -0.002 0.000 0.291 414 G HA3 0.662 4.621 3.960 -0.002 0.000 0.291 414 G C -1.220 173.619 174.900 -0.103 0.000 1.211 414 G CA -0.627 44.411 45.100 -0.104 0.000 0.950 414 G HN 0.614 nan 8.290 nan 0.000 0.504 415 L N -0.010 121.179 121.223 -0.057 0.000 2.543 415 L HA 0.547 4.886 4.340 -0.002 0.000 0.265 415 L C 0.353 177.207 176.870 -0.027 0.000 0.945 415 L CA -0.889 53.921 54.840 -0.049 0.000 0.869 415 L CB 1.919 43.964 42.059 -0.023 0.000 1.294 415 L HN 0.749 nan 8.230 nan 0.000 0.405 416 A N 1.609 124.392 122.820 -0.061 0.000 2.257 416 A HA 0.769 5.088 4.320 -0.002 0.000 0.290 416 A C 0.167 177.697 177.584 -0.090 0.000 1.201 416 A CA -0.315 51.684 52.037 -0.063 0.000 0.863 416 A CB 0.392 19.350 19.000 -0.071 0.000 1.256 416 A HN 0.611 nan 8.150 nan 0.000 0.506 417 T N 1.865 116.366 114.554 -0.088 0.000 2.930 417 T HA 0.244 4.593 4.350 -0.002 0.000 0.306 417 T C 0.309 174.894 174.700 -0.193 0.000 1.045 417 T CA 0.487 62.519 62.100 -0.114 0.000 1.134 417 T CB 0.057 68.870 68.868 -0.091 0.000 0.961 417 T HN 0.650 nan 8.240 nan 0.000 0.545 418 N N -0.071 118.445 118.700 -0.306 0.000 2.776 418 N HA -0.153 4.586 4.740 -0.002 0.000 0.250 418 N C -1.047 174.079 175.510 -0.639 0.000 1.112 418 N CA 0.417 53.242 53.050 -0.375 0.000 0.733 418 N CB -1.065 37.390 38.487 -0.054 0.000 1.097 418 N HN 0.485 nan 8.380 nan 0.000 0.558 419 I N 1.357 121.398 120.570 -0.882 0.000 2.448 419 I HA 0.316 4.485 4.170 -0.002 0.000 0.281 419 I C -0.409 175.371 176.117 -0.562 0.000 1.027 419 I CA -0.458 60.530 61.300 -0.519 0.000 1.111 419 I CB 0.741 38.607 38.000 -0.224 0.000 1.236 419 I HN -0.019 nan 8.210 nan 0.000 0.452 420 Y N 5.171 125.563 120.300 0.153 0.000 2.562 420 Y HA 0.663 5.212 4.550 -0.002 0.000 0.343 420 Y C -0.010 175.984 175.900 0.157 0.000 1.025 420 Y CA -1.194 57.015 58.100 0.182 0.000 1.082 420 Y CB 1.469 40.084 38.460 0.258 0.000 1.264 420 Y HN 0.197 nan 8.280 nan 0.000 0.478 421 I N 2.975 123.757 120.570 0.352 0.000 2.304 421 I HA 0.103 4.272 4.170 -0.002 0.000 0.291 421 I C -0.135 176.244 176.117 0.438 0.000 1.018 421 I CA -0.200 61.266 61.300 0.276 0.000 1.260 421 I CB 0.527 38.685 38.000 0.264 0.000 1.390 421 I HN 0.716 nan 8.210 nan 0.000 0.475 422 F N 6.531 126.683 119.950 0.337 0.000 2.706 422 F HA 0.610 5.136 4.527 -0.001 0.000 0.308 422 F C -0.547 175.447 175.800 0.323 0.000 1.095 422 F CA -0.566 57.625 58.000 0.318 0.000 1.244 422 F CB 0.293 39.270 39.000 -0.039 0.000 1.063 422 F HN 0.278 nan 8.300 nan 0.000 0.582 423 L N 2.289 123.535 121.223 0.038 0.000 2.643 423 L HA 0.647 4.985 4.340 -0.002 0.000 0.257 423 L C -1.665 175.315 176.870 0.183 0.000 0.922 423 L CA -1.097 53.841 54.840 0.164 0.000 0.909 423 L CB 2.074 44.230 42.059 0.162 0.000 1.424 423 L HN 0.289 nan 8.230 nan 0.000 0.422 424 L N 0.980 122.301 121.223 0.163 0.000 2.409 424 L HA 0.773 5.112 4.340 -0.002 0.000 0.255 424 L C -1.505 175.276 176.870 -0.148 0.000 1.027 424 L CA -0.764 54.008 54.840 -0.113 0.000 0.834 424 L CB 2.269 44.174 42.059 -0.257 0.000 1.426 424 L HN 0.646 nan 8.230 nan 0.000 0.411 425 N N 1.245 119.752 118.700 -0.322 0.000 2.354 425 N HA 0.618 5.357 4.740 -0.002 0.000 0.287 425 N C -1.431 173.910 175.510 -0.282 0.000 1.016 425 N CA -0.256 52.648 53.050 -0.242 0.000 0.871 425 N CB 2.520 40.884 38.487 -0.206 0.000 1.299 425 N HN 0.748 nan 8.380 nan 0.000 0.482 426 V N 1.081 120.881 119.914 -0.190 0.000 2.604 426 V HA 0.691 4.810 4.120 -0.002 0.000 0.305 426 V C -0.658 175.389 176.094 -0.079 0.000 1.043 426 V CA -0.800 61.417 62.300 -0.139 0.000 0.888 426 V CB 1.391 33.194 31.823 -0.033 0.000 0.995 426 V HN 0.371 nan 8.190 nan 0.000 0.429 427 I N 5.138 125.668 120.570 -0.067 0.000 2.382 427 I HA 0.683 4.852 4.170 -0.002 0.000 0.285 427 I C 0.451 176.570 176.117 0.003 0.000 1.007 427 I CA 0.270 61.552 61.300 -0.031 0.000 1.142 427 I CB 1.750 39.725 38.000 -0.041 0.000 1.289 427 I HN 0.972 nan 8.210 nan 0.000 0.453 428 S N 5.743 121.465 115.700 0.036 0.000 2.638 428 S HA 0.786 5.255 4.470 -0.002 0.000 0.302 428 S C -0.364 174.283 174.600 0.079 0.000 1.096 428 S CA -1.056 57.185 58.200 0.068 0.000 0.953 428 S CB 1.296 64.556 63.200 0.100 0.000 1.107 428 S HN 0.377 nan 8.310 nan 0.000 0.503 429 L N 1.421 122.700 121.223 0.094 0.000 2.426 429 L HA 0.309 4.648 4.340 -0.002 0.000 0.271 429 L C -0.060 176.867 176.870 0.095 0.000 1.169 429 L CA -0.213 54.701 54.840 0.123 0.000 0.836 429 L CB 0.173 42.325 42.059 0.154 0.000 1.112 429 L HN 0.775 nan 8.230 nan 0.000 0.465 430 D N 1.307 121.763 120.400 0.093 0.000 2.485 430 D HA 0.085 4.724 4.640 -0.002 0.000 0.229 430 D C 1.036 177.355 176.300 0.032 0.000 1.101 430 D CA -0.532 53.497 54.000 0.050 0.000 0.906 430 D CB 0.319 41.150 40.800 0.052 0.000 1.019 430 D HN 0.533 nan 8.370 nan 0.000 0.516 431 N N 2.688 121.391 118.700 0.006 0.000 2.588 431 N HA -0.207 4.532 4.740 -0.002 0.000 0.190 431 N C -0.074 175.436 175.510 0.000 0.000 1.094 431 N CA -0.053 52.993 53.050 -0.008 0.000 0.921 431 N CB -0.057 38.415 38.487 -0.026 0.000 0.959 431 N HN 0.123 nan 8.380 nan 0.000 0.448 432 K N -0.385 120.018 120.400 0.005 0.000 3.257 432 K HA -0.258 4.061 4.320 -0.002 0.000 0.270 432 K C -0.841 175.882 176.600 0.204 0.000 0.984 432 K CA 0.837 57.187 56.287 0.105 0.000 0.739 432 K CB -2.564 29.994 32.500 0.097 0.000 1.351 432 K HN 0.614 nan 8.250 nan 0.000 0.463 433 Y N -2.908 117.407 120.300 0.025 0.000 3.978 433 Y HA -0.320 4.228 4.550 -0.002 0.000 0.219 433 Y C 0.855 176.763 175.900 0.014 0.000 1.153 433 Y CA 0.917 59.030 58.100 0.021 0.000 1.718 433 Y CB -1.506 36.970 38.460 0.027 0.000 1.541 433 Y HN 0.386 nan 8.280 nan 0.000 0.640 434 L N -0.465 120.812 121.223 0.089 0.000 2.304 434 L HA 0.399 4.738 4.340 -0.002 0.000 0.268 434 L C 0.887 177.764 176.870 0.011 0.000 1.010 434 L CA -1.168 53.703 54.840 0.050 0.000 0.813 434 L CB 1.017 43.091 42.059 0.025 0.000 1.315 434 L HN -0.022 nan 8.230 nan 0.000 0.445 435 N N 1.130 119.828 118.700 -0.002 0.000 3.103 435 N HA 0.055 4.794 4.740 -0.002 0.000 0.305 435 N C -1.289 174.163 175.510 -0.097 0.000 1.232 435 N CA 0.329 53.364 53.050 -0.025 0.000 1.190 435 N CB -0.339 38.132 38.487 -0.027 0.000 1.461 435 N HN 0.443 nan 8.380 nan 0.000 0.538 436 D N 0.305 120.640 120.400 -0.108 0.000 2.581 436 D HA 0.214 4.853 4.640 -0.002 0.000 0.232 436 D C -0.751 175.451 176.300 -0.163 0.000 1.143 436 D CA -0.536 53.355 54.000 -0.181 0.000 0.881 436 D CB 0.830 41.574 40.800 -0.092 0.000 1.500 436 D HN 0.125 nan 8.370 nan 0.000 0.458 437 Y N 1.204 121.486 120.300 -0.029 0.000 2.810 437 Y HA 0.029 4.578 4.550 -0.002 0.000 0.332 437 Y C 1.548 177.376 175.900 -0.119 0.000 1.243 437 Y CA 0.544 58.561 58.100 -0.138 0.000 1.537 437 Y CB 0.060 38.299 38.460 -0.368 0.000 1.265 437 Y HN 0.325 nan 8.280 nan 0.000 0.572 438 N N 0.323 119.061 118.700 0.063 0.000 2.365 438 N HA 0.130 4.869 4.740 -0.002 0.000 0.257 438 N C -0.873 174.707 175.510 0.118 0.000 1.287 438 N CA -0.568 52.526 53.050 0.073 0.000 0.882 438 N CB 0.123 38.651 38.487 0.069 0.000 1.250 438 N HN 0.446 nan 8.380 nan 0.000 0.507 439 N N 1.223 119.941 118.700 0.030 0.000 2.267 439 N HA 0.133 4.872 4.740 -0.002 0.000 0.226 439 N C -0.154 175.453 175.510 0.161 0.000 1.314 439 N CA 0.180 53.314 53.050 0.139 0.000 0.887 439 N CB 0.929 39.339 38.487 -0.128 0.000 1.120 439 N HN 0.219 nan 8.380 nan 0.000 0.440 440 I N 0.380 121.082 120.570 0.220 0.000 2.441 440 I HA 0.035 4.204 4.170 -0.002 0.000 0.287 440 I C 0.940 177.182 176.117 0.207 0.000 1.049 440 I CA 0.050 61.423 61.300 0.122 0.000 1.381 440 I CB 0.894 38.871 38.000 -0.039 0.000 1.409 440 I HN 0.644 nan 8.210 nan 0.000 0.523 441 S N 4.776 120.508 115.700 0.053 0.000 2.559 441 S HA 0.234 4.703 4.470 -0.002 0.000 0.226 441 S C 0.243 174.718 174.600 -0.209 0.000 1.030 441 S CA -0.310 57.796 58.200 -0.156 0.000 0.956 441 S CB 0.460 63.626 63.200 -0.056 0.000 0.900 441 S HN 0.684 nan 8.310 nan 0.000 0.510 442 K N 0.338 120.721 120.400 -0.029 0.000 2.557 442 K HA 0.585 4.904 4.320 -0.002 0.000 0.261 442 K C -2.118 174.432 176.600 -0.082 0.000 0.932 442 K CA -0.554 55.723 56.287 -0.016 0.000 0.829 442 K CB 1.780 34.239 32.500 -0.068 0.000 1.358 442 K HN 0.254 nan 8.250 nan 0.000 0.430 443 M N 2.525 122.039 119.600 -0.143 0.000 2.378 443 M HA 0.287 4.766 4.480 -0.002 0.000 0.289 443 M C -1.766 174.246 176.300 -0.480 0.000 1.136 443 M CA -0.830 54.224 55.300 -0.410 0.000 0.917 443 M CB 2.321 34.526 32.600 -0.659 0.000 1.669 443 M HN 0.433 nan 8.290 nan 0.000 0.461 444 D N 3.033 123.068 120.400 -0.608 0.000 2.453 444 D HA 0.443 5.082 4.640 -0.002 0.000 0.238 444 D C -1.196 174.607 176.300 -0.829 0.000 1.088 444 D CA 0.086 53.735 54.000 -0.584 0.000 0.854 444 D CB 0.818 41.304 40.800 -0.524 0.000 1.076 444 D HN 0.206 nan 8.370 nan 0.000 0.533 445 F N 1.249 120.928 119.950 -0.451 0.000 2.385 445 F HA 0.402 4.928 4.527 -0.002 0.000 0.336 445 F C 0.472 175.940 175.800 -0.554 0.000 1.100 445 F CA -0.706 57.056 58.000 -0.397 0.000 1.116 445 F CB 0.743 39.613 39.000 -0.216 0.000 1.166 445 F HN 0.150 nan 8.300 nan 0.000 0.511 446 F N 3.840 123.706 119.950 -0.141 0.000 2.307 446 F HA 0.443 4.969 4.527 -0.002 0.000 0.369 446 F C 0.108 175.546 175.800 -0.603 0.000 1.076 446 F CA -0.955 56.799 58.000 -0.409 0.000 1.149 446 F CB 0.186 38.792 39.000 -0.656 0.000 1.410 446 F HN 0.210 nan 8.300 nan 0.000 0.481 447 I N 1.257 121.817 120.570 -0.017 0.000 2.713 447 I HA 0.363 4.532 4.170 -0.002 0.000 0.300 447 I C 0.536 176.817 176.117 0.274 0.000 1.009 447 I CA -0.293 61.056 61.300 0.083 0.000 1.305 447 I CB 1.693 39.727 38.000 0.056 0.000 1.430 447 I HN 0.346 nan 8.210 nan 0.000 0.546 448 T N 2.562 117.296 114.554 0.300 0.000 2.916 448 T HA 0.300 4.648 4.350 -0.002 0.000 0.298 448 T C 0.025 174.832 174.700 0.178 0.000 1.031 448 T CA -0.744 61.554 62.100 0.330 0.000 0.993 448 T CB 0.772 69.834 68.868 0.323 0.000 1.045 448 T HN 0.850 nan 8.240 nan 0.000 0.454 449 N N 2.522 121.313 118.700 0.151 0.000 2.177 449 N HA 0.361 5.100 4.740 -0.002 0.000 0.218 449 N C 1.273 176.860 175.510 0.130 0.000 1.182 449 N CA -0.096 52.996 53.050 0.071 0.000 0.882 449 N CB 0.741 39.239 38.487 0.018 0.000 1.052 449 N HN 0.874 nan 8.380 nan 0.000 0.519 450 G N 0.981 109.927 108.800 0.242 0.000 2.254 450 G HA2 -0.362 3.596 3.960 -0.002 0.000 0.225 450 G HA3 -0.362 3.596 3.960 -0.002 0.000 0.225 450 G C 0.974 176.035 174.900 0.269 0.000 1.003 450 G CA 0.775 46.038 45.100 0.271 0.000 0.622 450 G HN 0.556 nan 8.290 nan 0.000 0.507 451 T N -2.080 112.567 114.554 0.156 0.000 2.958 451 T HA 0.545 4.894 4.350 -0.002 0.000 0.256 451 T C 0.670 175.229 174.700 -0.235 0.000 0.983 451 T CA 1.168 63.311 62.100 0.072 0.000 0.924 451 T CB 0.428 69.312 68.868 0.028 0.000 1.136 451 T HN 1.434 nan 8.240 nan 0.000 0.506 452 R N -0.228 120.025 120.500 -0.412 0.000 2.728 452 R HA 0.612 4.950 4.340 -0.002 0.000 0.274 452 R C -1.750 174.264 176.300 -0.477 0.000 1.030 452 R CA -1.200 54.411 56.100 -0.815 0.000 0.876 452 R CB 0.511 30.589 30.300 -0.370 0.000 1.259 452 R HN 0.089 nan 8.270 nan 0.000 0.468 453 L N 2.777 123.789 121.223 -0.352 0.000 2.290 453 L HA 0.465 4.804 4.340 -0.002 0.000 0.284 453 L C -1.278 175.643 176.870 0.086 0.000 1.078 453 L CA -0.313 54.582 54.840 0.092 0.000 0.815 453 L CB 0.735 42.933 42.059 0.231 0.000 1.162 453 L HN 0.648 nan 8.230 nan 0.000 0.435 454 L N 5.615 126.921 121.223 0.138 0.000 2.325 454 L HA 0.468 4.807 4.340 -0.002 0.000 0.281 454 L C -0.103 176.834 176.870 0.112 0.000 1.004 454 L CA -0.502 54.390 54.840 0.088 0.000 0.823 454 L CB 2.006 44.093 42.059 0.047 0.000 1.236 454 L HN 0.581 nan 8.230 nan 0.000 0.415 455 E N 3.088 123.345 120.200 0.095 0.000 2.156 455 E HA 0.449 4.797 4.350 -0.002 0.000 0.279 455 E C -0.921 175.678 176.600 -0.003 0.000 0.965 455 E CA -0.780 55.648 56.400 0.048 0.000 0.789 455 E CB 2.174 31.920 29.700 0.077 0.000 1.098 455 E HN 0.231 nan 8.360 nan 0.000 0.397 456 K N 1.580 121.972 120.400 -0.015 0.000 2.340 456 K HA 0.420 4.739 4.320 -0.002 0.000 0.244 456 K C -1.066 175.565 176.600 0.052 0.000 0.973 456 K CA -0.646 55.647 56.287 0.009 0.000 0.828 456 K CB 1.878 34.368 32.500 -0.017 0.000 1.226 456 K HN 0.369 nan 8.250 nan 0.000 0.437 457 E N 1.079 121.307 120.200 0.047 0.000 2.343 457 E HA 0.606 4.955 4.350 -0.002 0.000 0.270 457 E C -1.657 174.997 176.600 0.091 0.000 0.895 457 E CA -0.963 55.468 56.400 0.053 0.000 0.767 457 E CB 1.515 31.210 29.700 -0.008 0.000 1.248 457 E HN 0.252 nan 8.360 nan 0.000 0.440 458 L N 2.262 123.555 121.223 0.117 0.000 2.491 458 L HA 0.447 4.786 4.340 -0.002 0.000 0.267 458 L C -1.508 175.501 176.870 0.232 0.000 0.971 458 L CA 0.048 54.968 54.840 0.135 0.000 0.857 458 L CB 2.017 44.137 42.059 0.102 0.000 1.226 458 L HN 0.500 nan 8.230 nan 0.000 0.408 459 T N 3.324 118.033 114.554 0.258 0.000 2.876 459 T HA 0.746 5.095 4.350 -0.002 0.000 0.289 459 T C -0.354 174.357 174.700 0.019 0.000 1.014 459 T CA -0.352 61.836 62.100 0.146 0.000 0.986 459 T CB 1.770 70.642 68.868 0.006 0.000 1.021 459 T HN 0.702 nan 8.240 nan 0.000 0.458 460 A N 2.418 124.918 122.820 -0.533 0.000 2.444 460 A HA 0.610 4.929 4.320 -0.002 0.000 0.273 460 A C 1.419 178.834 177.584 -0.282 0.000 1.136 460 A CA 0.501 52.128 52.037 -0.683 0.000 0.799 460 A CB -1.083 17.312 19.000 -1.009 0.000 1.081 460 A HN 1.450 nan 8.150 nan 0.000 0.509 461 G N 2.536 111.249 108.800 -0.145 0.000 2.646 461 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.324 461 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.324 461 G C 0.549 175.401 174.900 -0.080 0.000 1.195 461 G CA 1.153 46.194 45.100 -0.099 0.000 0.976 461 G HN 2.367 nan 8.290 nan 0.000 0.546 462 S N -0.042 115.601 115.700 -0.094 0.000 2.605 462 S HA 0.602 5.071 4.470 -0.002 0.000 0.308 462 S C 1.366 175.913 174.600 -0.087 0.000 1.113 462 S CA 0.413 58.569 58.200 -0.073 0.000 1.049 462 S CB 1.434 64.598 63.200 -0.061 0.000 1.001 462 S HN 2.180 nan 8.310 nan 0.000 0.480 463 G N 2.133 110.888 108.800 -0.075 0.000 3.210 463 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.226 463 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.226 463 G C 0.535 175.387 174.900 -0.080 0.000 1.061 463 G CA 0.879 45.934 45.100 -0.076 0.000 0.705 463 G HN 0.883 nan 8.290 nan 0.000 0.676 464 Q N -0.234 119.519 119.800 -0.079 0.000 2.362 464 Q HA 0.206 4.545 4.340 -0.002 0.000 0.305 464 Q C -0.751 175.183 176.000 -0.110 0.000 1.120 464 Q CA 0.175 55.930 55.803 -0.081 0.000 1.011 464 Q CB 0.536 29.228 28.738 -0.077 0.000 1.048 464 Q HN 0.361 nan 8.270 nan 0.000 0.386 465 I N 2.294 122.806 120.570 -0.098 0.000 2.534 465 I HA 0.133 4.301 4.170 -0.002 0.000 0.288 465 I C 0.235 176.293 176.117 -0.098 0.000 1.077 465 I CA -0.007 61.216 61.300 -0.127 0.000 1.051 465 I CB 2.242 40.190 38.000 -0.088 0.000 1.234 465 I HN 0.443 nan 8.210 nan 0.000 0.425 466 T N 5.568 120.026 114.554 -0.160 0.000 2.925 466 T HA 0.191 4.540 4.350 -0.002 0.000 0.245 466 T C 0.461 175.235 174.700 0.123 0.000 1.025 466 T CA 0.592 62.672 62.100 -0.032 0.000 1.149 466 T CB -0.295 68.564 68.868 -0.015 0.000 0.866 466 T HN 0.400 nan 8.240 nan 0.000 0.437 467 Y N 2.468 122.798 120.300 0.050 0.000 2.709 467 Y HA -0.016 4.533 4.550 -0.002 0.000 0.348 467 Y C 0.925 176.853 175.900 0.047 0.000 1.267 467 Y CA -0.884 57.251 58.100 0.058 0.000 1.486 467 Y CB 0.193 38.702 38.460 0.082 0.000 1.356 467 Y HN 0.150 nan 8.280 nan 0.000 0.639 468 D N 1.124 121.657 120.400 0.222 0.000 2.382 468 D HA 0.232 4.871 4.640 -0.002 0.000 0.240 468 D C -0.235 176.143 176.300 0.130 0.000 1.146 468 D CA 0.296 54.375 54.000 0.132 0.000 0.897 468 D CB 1.439 42.298 40.800 0.098 0.000 1.197 468 D HN 0.335 nan 8.370 nan 0.000 0.432 469 V N -0.915 119.050 119.914 0.086 0.000 3.130 469 V HA 0.579 4.698 4.120 -0.002 0.000 0.310 469 V C -0.530 175.594 176.094 0.050 0.000 1.158 469 V CA -1.112 61.231 62.300 0.072 0.000 1.029 469 V CB 2.443 34.296 31.823 0.051 0.000 1.057 469 V HN 0.357 nan 8.190 nan 0.000 0.436 470 N N 0.998 119.725 118.700 0.045 0.000 2.370 470 N HA 0.754 5.493 4.740 -0.002 0.000 0.303 470 N C -0.540 174.977 175.510 0.012 0.000 1.103 470 N CA -0.223 52.846 53.050 0.033 0.000 0.848 470 N CB 2.061 40.576 38.487 0.047 0.000 1.235 470 N HN 1.123 nan 8.380 nan 0.000 0.496 471 K N 1.284 121.678 120.400 -0.010 0.000 2.463 471 K HA 0.507 4.826 4.320 -0.002 0.000 0.255 471 K C -0.877 175.670 176.600 -0.088 0.000 0.942 471 K CA -0.816 55.444 56.287 -0.045 0.000 0.814 471 K CB 0.884 33.359 32.500 -0.041 0.000 1.122 471 K HN 0.610 nan 8.250 nan 0.000 0.425 472 N N 1.437 120.045 118.700 -0.153 0.000 2.242 472 N HA 0.583 5.322 4.740 -0.002 0.000 0.292 472 N C -1.163 174.046 175.510 -0.502 0.000 1.125 472 N CA -0.608 52.242 53.050 -0.333 0.000 0.783 472 N CB 2.059 40.315 38.487 -0.385 0.000 1.558 472 N HN 0.567 nan 8.380 nan 0.000 0.472 473 I N 1.663 121.872 120.570 -0.602 0.000 2.441 473 I HA 0.460 4.629 4.170 -0.002 0.000 0.295 473 I C -0.884 174.791 176.117 -0.737 0.000 0.994 473 I CA -0.581 60.425 61.300 -0.490 0.000 1.144 473 I CB 1.034 38.906 38.000 -0.214 0.000 1.314 473 I HN 0.300 nan 8.210 nan 0.000 0.445 474 F N 2.936 122.806 119.950 -0.134 0.000 2.561 474 F HA 0.870 5.395 4.527 -0.002 0.000 0.321 474 F C 0.634 176.351 175.800 -0.139 0.000 1.065 474 F CA -0.453 57.484 58.000 -0.104 0.000 0.934 474 F CB 2.336 41.241 39.000 -0.158 0.000 1.215 474 F HN 0.580 nan 8.300 nan 0.000 0.471 475 G N 1.475 110.049 108.800 -0.376 0.000 2.359 475 G HA2 0.290 4.249 3.960 -0.002 0.000 0.314 475 G HA3 0.290 4.249 3.960 -0.002 0.000 0.314 475 G C -2.447 172.000 174.900 -0.755 0.000 1.364 475 G CA -1.167 43.294 45.100 -1.065 0.000 0.978 475 G HN 0.448 nan 8.290 nan 0.000 0.615 476 L N 0.242 121.083 121.223 -0.636 0.000 2.304 476 L HA 0.655 4.994 4.340 -0.002 0.000 0.268 476 L C -1.815 174.940 176.870 -0.193 0.000 1.010 476 L CA -1.587 53.003 54.840 -0.417 0.000 0.813 476 L CB 1.133 42.856 42.059 -0.558 0.000 1.315 476 L HN 0.372 nan 8.230 nan 0.000 0.445 477 P HA 0.145 nan 4.420 nan 0.000 0.272 477 P C -0.133 177.103 177.300 -0.107 0.000 1.254 477 P CA -0.302 62.657 63.100 -0.234 0.000 0.795 477 P CB 0.362 31.857 31.700 -0.343 0.000 1.022 478 I N -1.286 119.225 120.570 -0.099 0.000 3.112 478 I HA 0.018 4.187 4.170 -0.002 0.000 0.284 478 I C 0.934 177.010 176.117 -0.068 0.000 1.227 478 I CA -0.008 61.271 61.300 -0.034 0.000 1.369 478 I CB 0.009 38.021 38.000 0.020 0.000 1.376 478 I HN 0.159 nan 8.210 nan 0.000 0.608 479 L N 2.000 123.171 121.223 -0.086 0.000 2.609 479 L HA 0.407 4.746 4.340 -0.002 0.000 0.230 479 L C 0.272 177.099 176.870 -0.072 0.000 1.087 479 L CA 0.863 55.645 54.840 -0.096 0.000 0.874 479 L CB -0.288 41.664 42.059 -0.180 0.000 1.114 479 L HN 0.638 nan 8.230 nan 0.000 0.488 480 K N -0.046 120.314 120.400 -0.067 0.000 2.444 480 K HA 0.466 4.785 4.320 -0.002 0.000 0.252 480 K C -0.697 175.887 176.600 -0.027 0.000 0.993 480 K CA -0.997 55.262 56.287 -0.047 0.000 0.847 480 K CB 1.852 34.317 32.500 -0.058 0.000 1.340 480 K HN -0.124 nan 8.250 nan 0.000 0.446 481 R N 1.636 122.128 120.500 -0.014 0.000 2.502 481 R HA 0.038 4.377 4.340 -0.002 0.000 0.292 481 R C 0.363 176.662 176.300 -0.002 0.000 0.998 481 R CA -0.231 55.867 56.100 -0.002 0.000 1.056 481 R CB 0.136 30.439 30.300 0.005 0.000 0.939 481 R HN 0.276 nan 8.270 nan 0.000 0.411 482 R N 2.153 122.661 120.500 0.013 0.000 2.817 482 R HA 0.110 4.448 4.340 -0.002 0.000 0.264 482 R C 0.047 176.344 176.300 -0.005 0.000 1.009 482 R CA 0.968 57.074 56.100 0.010 0.000 1.133 482 R CB 0.199 30.522 30.300 0.038 0.000 1.013 482 R HN 0.852 nan 8.270 nan 0.000 0.453 483 E N 0.177 120.366 120.200 -0.018 0.000 2.382 483 E HA 0.397 4.746 4.350 -0.002 0.000 0.280 483 E C -1.450 175.134 176.600 -0.028 0.000 1.161 483 E CA -0.244 56.144 56.400 -0.019 0.000 0.905 483 E CB 0.422 30.113 29.700 -0.016 0.000 1.268 483 E HN 0.709 nan 8.360 nan 0.000 0.426 490 L N 0.560 121.720 121.223 -0.105 0.000 2.024 490 L HA 0.485 4.824 4.340 -0.002 0.000 0.137 490 L C 0.271 176.958 176.870 -0.305 0.000 1.357 490 L CA -0.198 54.585 54.840 -0.096 0.000 1.059 490 L CB 0.310 42.453 42.059 0.139 0.000 2.165 490 L HN 0.562 nan 8.230 nan 0.000 0.478 491 F N -0.966 118.960 119.950 -0.040 0.000 1.868 491 F HA 0.280 4.806 4.527 -0.002 0.000 0.245 491 F C -1.963 173.813 175.800 -0.040 0.000 1.114 491 F CA -0.076 57.898 58.000 -0.045 0.000 1.261 491 F CB -0.838 38.132 39.000 -0.051 0.000 1.620 491 F HN -0.144 nan 8.300 nan 0.000 0.567 492 P HA 0.114 nan 4.420 nan 0.000 0.264 492 P C -0.427 176.811 177.300 -0.104 0.000 1.179 492 P CA 0.669 63.803 63.100 0.056 0.000 0.763 492 P CB 0.596 32.447 31.700 0.252 0.000 0.806 493 T N -0.797 113.498 114.554 -0.431 0.000 2.888 493 T HA 0.342 4.691 4.350 -0.002 0.000 0.288 493 T C 0.806 175.024 174.700 -0.804 0.000 1.063 493 T CA -0.533 61.317 62.100 -0.416 0.000 1.010 493 T CB 0.599 69.317 68.868 -0.251 0.000 1.214 493 T HN 0.430 nan 8.240 nan 0.000 0.533 494 Y N 0.535 120.650 120.300 -0.308 0.000 2.333 494 Y HA 0.045 4.595 4.550 -0.001 0.000 0.290 494 Y C 1.394 177.319 175.900 0.042 0.000 1.144 494 Y CA 1.367 59.386 58.100 -0.134 0.000 1.228 494 Y CB -0.587 37.944 38.460 0.119 0.000 0.985 494 Y HN 0.659 nan 8.280 nan 0.000 0.542 495 D N -1.135 118.743 120.400 -0.871 0.000 2.424 495 D HA 0.091 4.730 4.640 -0.002 0.000 0.220 495 D C -0.439 175.690 176.300 -0.286 0.000 1.150 495 D CA -0.093 53.601 54.000 -0.510 0.000 0.831 495 D CB -0.298 40.042 40.800 -0.766 0.000 0.981 495 D HN 0.336 nan 8.370 nan 0.000 0.500 496 N N 0.776 119.346 118.700 -0.217 0.000 2.976 496 N HA 0.093 4.831 4.740 -0.002 0.000 0.220 496 N C -2.000 173.434 175.510 -0.127 0.000 1.428 496 N CA -0.436 52.502 53.050 -0.187 0.000 0.748 496 N CB 0.008 38.393 38.487 -0.169 0.000 1.484 496 N HN 0.215 nan 8.380 nan 0.000 0.578 497 Y N -0.388 119.769 120.300 -0.239 0.000 2.513 497 Y HA 0.492 5.041 4.550 -0.001 0.000 0.340 497 Y C 0.645 176.473 175.900 -0.120 0.000 1.055 497 Y CA -0.891 57.100 58.100 -0.181 0.000 1.020 497 Y CB 0.958 39.277 38.460 -0.235 0.000 1.301 497 Y HN 0.066 nan 8.280 nan 0.000 0.453 498 S N -0.084 115.561 115.700 -0.091 0.000 2.503 498 S HA 0.290 4.759 4.470 -0.002 0.000 0.215 498 S C -0.327 174.042 174.600 -0.384 0.000 1.003 498 S CA 0.486 58.516 58.200 -0.284 0.000 0.910 498 S CB -0.373 62.772 63.200 -0.091 0.000 0.790 498 S HN 0.817 nan 8.310 nan 0.000 0.514 499 H N 0.437 119.515 119.070 0.012 0.000 2.928 499 H HA 0.737 5.291 4.556 -0.002 0.000 0.371 499 H C -0.627 175.005 175.328 0.506 0.000 1.186 499 H CA -0.783 55.367 56.048 0.169 0.000 1.134 499 H CB 1.799 31.634 29.762 0.122 0.000 1.824 499 H HN 0.385 nan 8.280 nan 0.000 0.554 500 I N -0.392 120.591 120.570 0.688 0.000 2.689 500 I HA 0.459 4.628 4.170 -0.002 0.000 0.299 500 I C -1.036 175.422 176.117 0.569 0.000 1.059 500 I CA -1.392 60.315 61.300 0.679 0.000 1.055 500 I CB 1.892 40.149 38.000 0.429 0.000 1.243 500 I HN 0.313 nan 8.210 nan 0.000 0.425 501 L N 4.194 125.566 121.223 0.248 0.000 2.485 501 L HA 0.225 4.564 4.340 -0.002 0.000 0.275 501 L C 1.105 177.892 176.870 -0.137 0.000 1.207 501 L CA 1.285 55.868 54.840 -0.427 0.000 0.855 501 L CB 1.277 43.119 42.059 -0.361 0.000 1.114 501 L HN 0.941 nan 8.230 nan 0.000 0.485 502 S N 2.898 118.454 115.700 -0.239 0.000 2.628 502 S HA 0.376 4.845 4.470 -0.002 0.000 0.246 502 S C -0.019 174.571 174.600 -0.017 0.000 1.062 502 S CA -0.362 57.758 58.200 -0.132 0.000 1.028 502 S CB 0.105 63.164 63.200 -0.236 0.000 0.985 502 S HN 0.478 nan 8.310 nan 0.000 0.551 503 F N 0.007 119.776 119.950 -0.302 0.000 2.793 503 F HA 0.520 5.046 4.527 -0.002 0.000 0.316 503 F C -2.339 173.301 175.800 -0.266 0.000 1.147 503 F CA -1.017 56.830 58.000 -0.256 0.000 0.930 503 F CB 1.153 39.983 39.000 -0.285 0.000 1.277 503 F HN 0.037 nan 8.300 nan 0.000 0.443 504 I N 4.226 124.490 120.570 -0.511 0.000 2.503 504 I HA 0.320 4.489 4.170 -0.002 0.000 0.282 504 I C -0.771 175.002 176.117 -0.574 0.000 1.059 504 I CA -0.570 60.438 61.300 -0.486 0.000 1.081 504 I CB 1.818 39.545 38.000 -0.454 0.000 1.210 504 I HN 0.431 nan 8.210 nan 0.000 0.450 505 K N 2.893 122.979 120.400 -0.524 0.000 2.132 505 K HA 0.723 5.042 4.320 -0.002 0.000 0.241 505 K C -0.464 175.645 176.600 -0.819 0.000 1.000 505 K CA -0.616 55.068 56.287 -1.004 0.000 0.911 505 K CB 1.926 34.183 32.500 -0.406 0.000 1.093 505 K HN 0.403 nan 8.250 nan 0.000 0.460 506 S N 0.785 115.940 115.700 -0.908 0.000 2.543 506 S HA 0.413 4.882 4.470 -0.002 0.000 0.271 506 S C -2.113 172.282 174.600 -0.341 0.000 1.148 506 S CA -0.786 57.103 58.200 -0.518 0.000 0.914 506 S CB 0.936 63.915 63.200 -0.369 0.000 1.096 506 S HN 0.386 nan 8.310 nan 0.000 0.471 507 L N 4.754 125.674 121.223 -0.505 0.000 2.305 507 L HA 0.910 5.249 4.340 -0.002 0.000 0.284 507 L C -0.798 175.621 176.870 -0.753 0.000 1.013 507 L CA 0.194 54.664 54.840 -0.617 0.000 0.819 507 L CB 1.084 42.648 42.059 -0.824 0.000 1.227 507 L HN 0.683 nan 8.230 nan 0.000 0.417 508 S N 4.837 120.244 115.700 -0.488 0.000 2.548 508 S HA 0.631 5.100 4.470 -0.002 0.000 0.278 508 S C -0.924 173.659 174.600 -0.028 0.000 1.150 508 S CA -0.747 57.297 58.200 -0.261 0.000 0.907 508 S CB 0.593 63.731 63.200 -0.103 0.000 1.108 508 S HN 0.516 nan 8.310 nan 0.000 0.459 509 I N 3.347 124.024 120.570 0.178 0.000 2.503 509 I HA 0.327 4.496 4.170 -0.002 0.000 0.277 509 I C -2.063 174.229 176.117 0.292 0.000 1.078 509 I CA -2.466 58.986 61.300 0.254 0.000 1.184 509 I CB 1.579 39.812 38.000 0.389 0.000 1.353 509 I HN 0.430 nan 8.210 nan 0.000 0.490 510 P HA -0.227 nan 4.420 nan 0.000 0.216 510 P C 1.657 179.035 177.300 0.130 0.000 1.153 510 P CA 1.173 64.377 63.100 0.173 0.000 0.858 510 P CB 0.304 32.091 31.700 0.146 0.000 0.789 511 A N -1.775 121.110 122.820 0.108 0.000 2.245 511 A HA -0.159 4.160 4.320 -0.002 0.000 0.217 511 A C 1.737 179.330 177.584 0.014 0.000 1.171 511 A CA 2.357 54.431 52.037 0.062 0.000 0.688 511 A CB -1.197 17.839 19.000 0.060 0.000 0.781 511 A HN 0.244 nan 8.150 nan 0.000 0.479 512 T N -3.652 110.908 114.554 0.009 0.000 3.336 512 T HA 0.293 4.642 4.350 -0.002 0.000 0.273 512 T C -0.170 174.301 174.700 -0.381 0.000 0.932 512 T CA 0.070 62.027 62.100 -0.239 0.000 0.995 512 T CB 0.120 68.739 68.868 -0.414 0.000 1.213 512 T HN 0.288 nan 8.240 nan 0.000 0.502 513 Y N 0.998 121.316 120.300 0.030 0.000 2.567 513 Y HA 0.623 5.172 4.550 -0.002 0.000 0.333 513 Y C 1.134 177.025 175.900 -0.015 0.000 1.106 513 Y CA -1.193 56.903 58.100 -0.007 0.000 1.157 513 Y CB 1.308 39.764 38.460 -0.008 0.000 1.277 513 Y HN -0.239 nan 8.280 nan 0.000 0.490 514 K N -0.261 120.178 120.400 0.065 0.000 2.360 514 K HA 0.118 4.437 4.320 -0.002 0.000 0.196 514 K C 0.042 176.649 176.600 0.012 0.000 1.049 514 K CA 0.278 56.477 56.287 -0.148 0.000 1.049 514 K CB 0.471 32.588 32.500 -0.638 0.000 0.881 514 K HN 0.814 nan 8.250 nan 0.000 0.542 515 T N -0.655 113.956 114.554 0.096 0.000 2.882 515 T HA 0.258 4.606 4.350 -0.002 0.000 0.287 515 T C -0.274 174.541 174.700 0.191 0.000 1.014 515 T CA -0.659 61.511 62.100 0.116 0.000 1.049 515 T CB 1.916 70.824 68.868 0.066 0.000 1.001 515 T HN -0.006 nan 8.240 nan 0.000 0.525 516 Q N 0.754 120.617 119.800 0.105 0.000 2.320 516 Q HA 0.540 4.879 4.340 -0.002 0.000 0.272 516 Q C -2.137 173.753 176.000 -0.183 0.000 1.023 516 Q CA -0.790 54.946 55.803 -0.112 0.000 0.855 516 Q CB 2.403 31.018 28.738 -0.204 0.000 1.367 516 Q HN 0.664 nan 8.270 nan 0.000 0.406 517 V N 4.187 123.897 119.914 -0.340 0.000 2.459 517 V HA 0.486 4.605 4.120 -0.002 0.000 0.295 517 V C -1.095 174.806 176.094 -0.322 0.000 1.029 517 V CA -0.407 61.788 62.300 -0.174 0.000 0.874 517 V CB 0.971 32.733 31.823 -0.102 0.000 0.985 517 V HN 0.658 nan 8.190 nan 0.000 0.438 518 Y N 1.816 122.075 120.300 -0.068 0.000 2.567 518 Y HA 0.753 5.302 4.550 -0.002 0.000 0.333 518 Y C 0.679 176.460 175.900 -0.197 0.000 1.106 518 Y CA -0.848 57.115 58.100 -0.228 0.000 1.157 518 Y CB 2.132 40.393 38.460 -0.331 0.000 1.277 518 Y HN 0.664 nan 8.280 nan 0.000 0.490 519 T N -1.257 113.179 114.554 -0.197 0.000 2.916 519 T HA 0.659 5.008 4.350 -0.002 0.000 0.298 519 T C -1.367 173.142 174.700 -0.319 0.000 1.031 519 T CA -0.816 61.257 62.100 -0.045 0.000 0.993 519 T CB 0.807 69.742 68.868 0.111 0.000 1.045 519 T HN 0.240 nan 8.240 nan 0.000 0.454 520 F N 1.695 121.614 119.950 -0.051 0.000 2.402 520 F HA 0.686 5.212 4.527 -0.002 0.000 0.355 520 F C 0.753 176.400 175.800 -0.255 0.000 1.123 520 F CA -0.931 56.940 58.000 -0.214 0.000 1.021 520 F CB 1.357 40.189 39.000 -0.281 0.000 1.160 520 F HN 0.954 nan 8.300 nan 0.000 0.451 521 A N 3.636 126.296 122.820 -0.267 0.000 2.354 521 A HA 0.623 4.942 4.320 -0.002 0.000 0.269 521 A C -1.491 175.737 177.584 -0.593 0.000 1.109 521 A CA -0.281 51.507 52.037 -0.416 0.000 0.800 521 A CB 0.259 19.086 19.000 -0.287 0.000 1.045 521 A HN 0.833 nan 8.150 nan 0.000 0.489 522 W N 0.628 121.860 121.300 -0.114 0.000 2.900 522 W HA 0.512 5.171 4.660 -0.002 0.000 0.336 522 W C 0.072 176.642 176.519 0.085 0.000 1.064 522 W CA -0.256 57.118 57.345 0.048 0.000 1.237 522 W CB 2.107 31.616 29.460 0.082 0.000 1.391 522 W HN 0.836 nan 8.180 nan 0.000 0.468 523 T N -1.831 112.913 114.554 0.317 0.000 2.940 523 T HA 0.365 4.714 4.350 -0.002 0.000 0.288 523 T C -0.732 174.079 174.700 0.184 0.000 1.033 523 T CA -0.761 61.479 62.100 0.233 0.000 1.033 523 T CB 1.411 70.367 68.868 0.148 0.000 1.079 523 T HN 0.426 nan 8.240 nan 0.000 0.496 524 H N 1.155 120.189 119.070 -0.061 0.000 2.886 524 H HA 0.293 4.848 4.556 -0.002 0.000 0.329 524 H C 1.502 176.728 175.328 -0.171 0.000 1.044 524 H CA 0.677 56.514 56.048 -0.351 0.000 1.456 524 H CB 0.807 30.382 29.762 -0.311 0.000 1.464 524 H HN 0.792 nan 8.280 nan 0.000 0.573 525 S N 1.706 117.129 115.700 -0.461 0.000 2.723 525 S HA -0.115 4.354 4.470 -0.002 0.000 0.231 525 S C 1.537 176.069 174.600 -0.113 0.000 0.967 525 S CA 0.462 58.536 58.200 -0.210 0.000 0.958 525 S CB -0.370 62.627 63.200 -0.337 0.000 0.778 525 S HN 0.609 nan 8.310 nan 0.000 0.537 526 S N 0.012 115.760 115.700 0.080 0.000 2.548 526 S HA 0.234 4.703 4.470 -0.002 0.000 0.215 526 S C 0.449 175.072 174.600 0.039 0.000 0.976 526 S CA -0.362 57.901 58.200 0.106 0.000 0.908 526 S CB -0.384 62.930 63.200 0.190 0.000 0.781 526 S HN 0.306 nan 8.310 nan 0.000 0.519 527 V N 2.964 122.883 119.914 0.008 0.000 2.614 527 V HA 0.313 4.431 4.120 -0.002 0.000 0.291 527 V C 0.053 176.246 176.094 0.164 0.000 1.049 527 V CA -0.495 61.759 62.300 -0.077 0.000 1.038 527 V CB 0.889 32.423 31.823 -0.481 0.000 0.980 527 V HN 0.335 nan 8.190 nan 0.000 0.481 528 D N 5.260 125.750 120.400 0.150 0.000 2.198 528 D HA 0.381 5.020 4.640 -0.002 0.000 0.245 528 D C -1.927 174.529 176.300 0.261 0.000 1.079 528 D CA -2.235 51.879 54.000 0.190 0.000 0.854 528 D CB 2.286 43.151 40.800 0.109 0.000 1.148 528 D HN 0.199 nan 8.370 nan 0.000 0.456 529 P HA 0.074 nan 4.420 nan 0.000 0.240 529 P C 0.459 177.696 177.300 -0.104 0.000 1.190 529 P CA 0.537 63.409 63.100 -0.380 0.000 0.781 529 P CB 0.437 31.680 31.700 -0.762 0.000 0.931 530 K N -1.179 119.202 120.400 -0.031 0.000 2.374 530 K HA 0.188 4.506 4.320 -0.002 0.000 0.202 530 K C 0.111 176.693 176.600 -0.030 0.000 1.040 530 K CA -0.171 56.097 56.287 -0.031 0.000 1.085 530 K CB -0.293 32.177 32.500 -0.051 0.000 0.873 530 K HN -0.064 nan 8.250 nan 0.000 0.539 531 N N 2.492 121.197 118.700 0.009 0.000 2.710 531 N HA -0.143 4.596 4.740 -0.002 0.000 0.249 531 N C -0.232 175.200 175.510 -0.129 0.000 1.059 531 N CA 1.447 54.488 53.050 -0.015 0.000 0.720 531 N CB -1.539 36.957 38.487 0.015 0.000 0.983 531 N HN 0.498 nan 8.380 nan 0.000 0.544 532 T N -1.634 112.810 114.554 -0.183 0.000 2.937 532 T HA 0.354 4.703 4.350 -0.002 0.000 0.316 532 T C 0.742 175.141 174.700 -0.501 0.000 1.079 532 T CA -0.219 61.659 62.100 -0.370 0.000 1.131 532 T CB 0.929 69.502 68.868 -0.492 0.000 1.000 532 T HN 0.229 nan 8.240 nan 0.000 0.549 533 I N 3.311 123.571 120.570 -0.516 0.000 2.355 533 I HA 0.319 4.487 4.170 -0.002 0.000 0.288 533 I C -0.475 175.467 176.117 -0.292 0.000 0.999 533 I CA -1.079 59.955 61.300 -0.443 0.000 1.163 533 I CB 0.901 38.489 38.000 -0.687 0.000 1.316 533 I HN 0.684 nan 8.210 nan 0.000 0.454 534 Y N 3.195 123.553 120.300 0.096 0.000 2.326 534 Y HA 0.193 4.743 4.550 -0.001 0.000 0.324 534 Y C 1.760 177.859 175.900 0.332 0.000 1.291 534 Y CA -0.335 57.872 58.100 0.178 0.000 1.348 534 Y CB 0.997 39.542 38.460 0.142 0.000 1.294 534 Y HN 0.593 nan 8.280 nan 0.000 0.525 535 T N -4.188 110.639 114.554 0.455 0.000 3.001 535 T HA -0.041 4.308 4.350 -0.002 0.000 0.251 535 T C 0.700 175.527 174.700 0.213 0.000 1.040 535 T CA 0.425 62.718 62.100 0.321 0.000 0.985 535 T CB -0.156 68.808 68.868 0.160 0.000 1.011 535 T HN 0.826 nan 8.240 nan 0.000 0.509 536 H N 1.678 120.795 119.070 0.079 0.000 2.505 536 H HA 0.626 5.180 4.556 -0.002 0.000 0.286 536 H C 0.339 175.710 175.328 0.072 0.000 1.072 536 H CA -0.637 55.431 56.048 0.032 0.000 1.141 536 H CB -0.402 29.345 29.762 -0.025 0.000 1.550 536 H HN 0.644 nan 8.280 nan 0.000 0.547 537 L N -3.186 117.945 121.223 -0.154 0.000 3.133 537 L HA 0.440 4.778 4.340 -0.002 0.000 0.280 537 L C -1.677 175.245 176.870 0.086 0.000 1.009 537 L CA -0.905 53.870 54.840 -0.109 0.000 0.982 537 L CB 1.525 43.380 42.059 -0.341 0.000 1.530 537 L HN -0.190 nan 8.230 nan 0.000 0.394 538 T N 1.351 115.991 114.554 0.144 0.000 2.834 538 T HA 0.363 4.712 4.350 -0.002 0.000 0.298 538 T C -0.038 174.818 174.700 0.260 0.000 0.966 538 T CA 0.265 62.521 62.100 0.261 0.000 1.141 538 T CB 0.486 69.545 68.868 0.318 0.000 0.905 538 T HN 0.592 nan 8.240 nan 0.000 0.535 539 T N 4.567 119.332 114.554 0.352 0.000 2.799 539 T HA 0.319 4.667 4.350 -0.002 0.000 0.286 539 T C -0.064 174.838 174.700 0.336 0.000 0.973 539 T CA -0.537 61.768 62.100 0.342 0.000 1.035 539 T CB 1.146 70.226 68.868 0.353 0.000 0.932 539 T HN 0.516 nan 8.240 nan 0.000 0.469 540 Q N 3.350 123.288 119.800 0.230 0.000 2.368 540 Q HA 0.498 4.837 4.340 -0.002 0.000 0.263 540 Q C -1.120 174.963 176.000 0.139 0.000 1.009 540 Q CA -0.461 55.450 55.803 0.179 0.000 0.818 540 Q CB 0.560 29.345 28.738 0.079 0.000 1.239 540 Q HN 0.643 nan 8.270 nan 0.000 0.464 541 I N 6.903 127.574 120.570 0.168 0.000 2.405 541 I HA 0.334 4.502 4.170 -0.002 0.000 0.280 541 I C -2.217 173.933 176.117 0.055 0.000 1.027 541 I CA -2.467 58.909 61.300 0.126 0.000 1.161 541 I CB 1.496 39.630 38.000 0.222 0.000 1.300 541 I HN 0.422 nan 8.210 nan 0.000 0.463 542 P HA -0.053 nan 4.420 nan 0.000 0.265 542 P C 0.608 177.863 177.300 -0.076 0.000 1.187 542 P CA 0.212 63.266 63.100 -0.076 0.000 0.766 542 P CB 0.901 32.532 31.700 -0.115 0.000 0.820 543 A N 3.731 126.467 122.820 -0.141 0.000 2.070 543 A HA -0.135 4.184 4.320 -0.002 0.000 0.220 543 A C 1.666 179.107 177.584 -0.238 0.000 1.159 543 A CA 1.837 53.739 52.037 -0.226 0.000 0.656 543 A CB -1.399 17.352 19.000 -0.415 0.000 0.800 543 A HN 0.526 nan 8.150 nan 0.000 0.453 544 V N -3.616 116.188 119.914 -0.183 0.000 3.510 544 V HA 0.039 4.158 4.120 -0.002 0.000 0.270 544 V C 1.245 177.313 176.094 -0.043 0.000 1.201 544 V CA 1.240 63.454 62.300 -0.144 0.000 1.166 544 V CB -0.605 31.147 31.823 -0.118 0.000 0.825 544 V HN 0.247 nan 8.190 nan 0.000 0.484 545 K N 1.482 121.871 120.400 -0.018 0.000 2.522 545 K HA 0.446 4.765 4.320 -0.002 0.000 0.194 545 K C 0.900 177.568 176.600 0.114 0.000 1.026 545 K CA 0.621 56.945 56.287 0.062 0.000 1.119 545 K CB 0.024 32.543 32.500 0.031 0.000 0.856 545 K HN 0.673 nan 8.250 nan 0.000 0.513 546 A N 2.128 124.982 122.820 0.058 0.000 2.296 546 A HA 0.196 4.515 4.320 -0.002 0.000 0.264 546 A C 0.709 178.320 177.584 0.045 0.000 1.097 546 A CA -0.305 51.796 52.037 0.108 0.000 0.811 546 A CB 0.182 19.268 19.000 0.145 0.000 1.072 546 A HN 0.370 nan 8.150 nan 0.000 0.495 547 N N -1.118 117.656 118.700 0.123 0.000 2.170 547 N HA 0.185 4.924 4.740 -0.002 0.000 0.222 547 N C -0.436 175.212 175.510 0.230 0.000 1.218 547 N CA 0.393 53.551 53.050 0.180 0.000 0.889 547 N CB 0.876 39.571 38.487 0.345 0.000 1.083 547 N HN 0.372 nan 8.380 nan 0.000 0.520 548 S N 0.241 116.037 115.700 0.159 0.000 2.619 548 S HA 0.637 5.106 4.470 -0.002 0.000 0.280 548 S C -2.164 172.537 174.600 0.169 0.000 1.150 548 S CA -0.758 57.563 58.200 0.203 0.000 0.978 548 S CB 0.627 63.968 63.200 0.234 0.000 1.041 548 S HN 0.228 nan 8.310 nan 0.000 0.485 549 L N 5.021 126.316 121.223 0.120 0.000 2.406 549 L HA 0.824 5.163 4.340 -0.002 0.000 0.272 549 L C 0.527 177.376 176.870 -0.034 0.000 0.980 549 L CA 0.095 54.967 54.840 0.054 0.000 0.831 549 L CB 1.378 43.441 42.059 0.007 0.000 1.253 549 L HN 0.798 nan 8.230 nan 0.000 0.406 550 G N 2.408 111.041 108.800 -0.278 0.000 2.690 550 G HA2 0.203 4.162 3.960 -0.002 0.000 0.239 550 G HA3 0.203 4.162 3.960 -0.002 0.000 0.239 550 G C 0.521 175.367 174.900 -0.090 0.000 1.233 550 G CA 0.316 45.116 45.100 -0.499 0.000 0.847 550 G HN 0.765 nan 8.290 nan 0.000 0.588 551 T N 1.275 115.840 114.554 0.019 0.000 2.904 551 T HA -0.024 4.325 4.350 -0.002 0.000 0.267 551 T C 2.699 177.424 174.700 0.043 0.000 1.059 551 T CA 1.469 63.601 62.100 0.053 0.000 1.137 551 T CB -0.131 68.785 68.868 0.080 0.000 0.879 551 T HN 0.642 nan 8.240 nan 0.000 0.467 552 A N 1.302 124.148 122.820 0.044 0.000 2.066 552 A HA 0.195 4.513 4.320 -0.002 0.000 0.218 552 A C 1.627 179.231 177.584 0.033 0.000 1.157 552 A CA 0.362 52.423 52.037 0.039 0.000 0.670 552 A CB -0.180 18.843 19.000 0.038 0.000 0.804 552 A HN 0.406 nan 8.150 nan 0.000 0.453 553 S N -0.313 115.407 115.700 0.034 0.000 2.669 553 S HA 0.549 5.018 4.470 -0.002 0.000 0.270 553 S C -0.099 174.516 174.600 0.024 0.000 1.225 553 S CA -0.412 57.817 58.200 0.049 0.000 0.991 553 S CB 0.992 64.258 63.200 0.111 0.000 0.987 553 S HN 0.657 nan 8.310 nan 0.000 0.552 554 K N -1.423 118.981 120.400 0.007 0.000 2.579 554 K HA 0.566 4.885 4.320 -0.002 0.000 0.284 554 K C -2.016 174.557 176.600 -0.044 0.000 0.990 554 K CA -0.952 55.331 56.287 -0.007 0.000 0.880 554 K CB 0.846 33.354 32.500 0.013 0.000 1.488 554 K HN 0.274 nan 8.250 nan 0.000 0.425 555 V N 2.171 122.056 119.914 -0.047 0.000 2.406 555 V HA 0.310 4.429 4.120 -0.002 0.000 0.272 555 V C 0.043 176.106 176.094 -0.052 0.000 1.043 555 V CA -0.587 61.665 62.300 -0.080 0.000 0.915 555 V CB 0.929 32.697 31.823 -0.091 0.000 0.988 555 V HN 0.585 nan 8.190 nan 0.000 0.466 556 V N 2.729 122.610 119.914 -0.055 0.000 2.732 556 V HA 0.659 4.778 4.120 -0.002 0.000 0.310 556 V C -0.113 175.964 176.094 -0.028 0.000 1.053 556 V CA -1.133 61.157 62.300 -0.017 0.000 0.957 556 V CB 1.622 33.452 31.823 0.013 0.000 1.018 556 V HN 0.844 nan 8.190 nan 0.000 0.452 557 Q N 2.542 122.342 119.800 -0.001 0.000 2.304 557 Q HA 0.389 4.728 4.340 -0.002 0.000 0.301 557 Q C 0.456 176.447 176.000 -0.016 0.000 1.063 557 Q CA 1.180 56.980 55.803 -0.005 0.000 0.947 557 Q CB 0.420 29.178 28.738 0.034 0.000 1.201 557 Q HN 1.330 nan 8.270 nan 0.000 0.389 558 G N 4.075 112.841 108.800 -0.057 0.000 2.569 558 G HA2 0.237 4.196 3.960 -0.002 0.000 0.249 558 G HA3 0.237 4.196 3.960 -0.002 0.000 0.249 558 G C -1.614 173.237 174.900 -0.081 0.000 1.216 558 G CA -0.772 44.268 45.100 -0.100 0.000 0.845 558 G HN 0.823 nan 8.290 nan 0.000 0.568 559 P HA 0.062 nan 4.420 nan 0.000 0.229 559 P C 1.119 178.374 177.300 -0.074 0.000 1.160 559 P CA 1.406 64.454 63.100 -0.087 0.000 0.777 559 P CB 0.599 32.246 31.700 -0.088 0.000 0.814 560 G N 0.139 108.831 108.800 -0.180 0.000 2.380 560 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.197 560 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.197 560 G C 0.596 175.422 174.900 -0.123 0.000 1.001 560 G CA 0.201 45.249 45.100 -0.086 0.000 0.668 560 G HN 0.567 nan 8.290 nan 0.000 0.483 561 H N -0.325 118.692 119.070 -0.087 0.000 2.784 561 H HA 0.448 5.003 4.556 -0.001 0.000 0.273 561 H C 1.844 177.068 175.328 -0.173 0.000 1.112 561 H CA 1.169 57.152 56.048 -0.108 0.000 1.162 561 H CB -0.000 29.762 29.762 0.000 0.000 1.586 561 H HN 0.327 nan 8.280 nan 0.000 0.548 562 T N -3.742 110.570 114.554 -0.403 0.000 3.060 562 T HA 0.321 4.670 4.350 -0.002 0.000 0.249 562 T C 1.880 176.418 174.700 -0.269 0.000 1.079 562 T CA 0.237 62.115 62.100 -0.370 0.000 1.013 562 T CB -0.060 68.490 68.868 -0.530 0.000 0.975 562 T HN 0.654 nan 8.240 nan 0.000 0.518 563 G N 0.062 108.716 108.800 -0.243 0.000 2.176 563 G HA2 0.185 4.144 3.960 -0.002 0.000 0.253 563 G HA3 0.185 4.144 3.960 -0.002 0.000 0.253 563 G C 0.489 175.275 174.900 -0.190 0.000 0.979 563 G CA -0.268 44.700 45.100 -0.220 0.000 0.641 563 G HN 1.511 nan 8.290 nan 0.000 0.530 564 G N -1.253 107.431 108.800 -0.194 0.000 2.321 564 G HA2 0.505 4.464 3.960 -0.002 0.000 0.296 564 G HA3 0.505 4.464 3.960 -0.002 0.000 0.296 564 G C -1.420 173.377 174.900 -0.170 0.000 1.287 564 G CA 0.145 45.148 45.100 -0.161 0.000 0.846 564 G HN 0.248 nan 8.290 nan 0.000 0.508 565 D N -0.306 120.000 120.400 -0.157 0.000 2.398 565 D HA 0.602 5.240 4.640 -0.002 0.000 0.247 565 D C 0.297 176.503 176.300 -0.157 0.000 1.227 565 D CA 0.248 54.158 54.000 -0.150 0.000 0.980 565 D CB 1.121 41.826 40.800 -0.159 0.000 1.106 565 D HN 0.365 nan 8.370 nan 0.000 0.493 566 L N -0.235 120.907 121.223 -0.135 0.000 2.309 566 L HA 0.520 4.859 4.340 -0.002 0.000 0.261 566 L C -0.072 176.698 176.870 -0.167 0.000 1.021 566 L CA -1.032 53.724 54.840 -0.140 0.000 0.823 566 L CB 1.642 43.663 42.059 -0.063 0.000 1.366 566 L HN 0.112 nan 8.230 nan 0.000 0.423 567 I N 0.835 121.265 120.570 -0.233 0.000 2.353 567 I HA 0.130 4.299 4.170 -0.002 0.000 0.293 567 I C -0.355 175.675 176.117 -0.146 0.000 0.992 567 I CA -0.103 61.029 61.300 -0.279 0.000 1.268 567 I CB 1.381 39.012 38.000 -0.614 0.000 1.387 567 I HN 0.575 nan 8.210 nan 0.000 0.478 568 D N 7.240 127.591 120.400 -0.081 0.000 2.522 568 D HA 0.039 4.677 4.640 -0.002 0.000 0.218 568 D C -0.430 175.928 176.300 0.097 0.000 1.149 568 D CA -0.463 53.521 54.000 -0.027 0.000 0.981 568 D CB 0.171 40.942 40.800 -0.049 0.000 1.041 568 D HN 0.130 nan 8.370 nan 0.000 0.518 569 F N 3.248 123.173 119.950 -0.042 0.000 2.504 569 F HA 0.051 4.577 4.527 -0.002 0.000 0.365 569 F C 0.991 176.835 175.800 0.074 0.000 1.140 569 F CA 0.044 58.083 58.000 0.065 0.000 1.077 569 F CB 0.645 39.736 39.000 0.151 0.000 1.106 569 F HN 0.152 nan 8.300 nan 0.000 0.578 570 K N 2.536 122.948 120.400 0.020 0.000 2.306 570 K HA 0.093 4.412 4.320 -0.002 0.000 0.200 570 K C 1.023 177.495 176.600 -0.214 0.000 1.083 570 K CA 1.267 57.489 56.287 -0.108 0.000 0.959 570 K CB 0.188 32.682 32.500 -0.010 0.000 0.994 570 K HN 0.609 nan 8.250 nan 0.000 0.492 571 D N -1.418 118.919 120.400 -0.104 0.000 3.074 571 D HA 0.057 4.696 4.640 -0.002 0.000 0.227 571 D C 0.358 176.776 176.300 0.197 0.000 1.553 571 D CA 0.246 54.259 54.000 0.022 0.000 1.347 571 D CB -0.155 40.784 40.800 0.232 0.000 1.021 571 D HN 0.196 nan 8.370 nan 0.000 0.260 572 H N -1.182 118.090 119.070 0.335 0.000 2.990 572 H HA 0.642 5.197 4.556 -0.002 0.000 0.343 572 H C -1.340 174.338 175.328 0.583 0.000 1.270 572 H CA -1.255 55.098 56.048 0.509 0.000 1.118 572 H CB 1.707 31.613 29.762 0.240 0.000 1.861 572 H HN 0.358 nan 8.280 nan 0.000 0.544 573 F N -0.660 119.500 119.950 0.349 0.000 2.704 573 F HA 0.539 5.065 4.527 -0.002 0.000 0.312 573 F C -2.130 173.805 175.800 0.226 0.000 1.108 573 F CA -0.932 57.157 58.000 0.149 0.000 1.005 573 F CB 1.769 40.771 39.000 0.003 0.000 1.277 573 F HN 0.625 nan 8.300 nan 0.000 0.445 574 K N 4.041 124.648 120.400 0.346 0.000 2.426 574 K HA 0.698 5.017 4.320 -0.002 0.000 0.254 574 K C -2.048 174.729 176.600 0.295 0.000 0.936 574 K CA -0.646 55.790 56.287 0.248 0.000 0.801 574 K CB 2.174 34.778 32.500 0.173 0.000 1.139 574 K HN 0.935 nan 8.250 nan 0.000 0.424 575 I N 1.602 122.352 120.570 0.300 0.000 2.441 575 I HA 0.397 4.566 4.170 -0.002 0.000 0.295 575 I C -0.912 175.313 176.117 0.181 0.000 0.994 575 I CA 0.136 61.591 61.300 0.258 0.000 1.144 575 I CB 2.101 40.283 38.000 0.304 0.000 1.314 575 I HN 0.472 nan 8.210 nan 0.000 0.445 576 T N 6.458 121.097 114.554 0.142 0.000 2.794 576 T HA 0.551 4.900 4.350 -0.002 0.000 0.280 576 T C -0.685 174.035 174.700 0.033 0.000 0.987 576 T CA -0.292 61.855 62.100 0.079 0.000 0.993 576 T CB 0.440 69.358 68.868 0.082 0.000 0.939 576 T HN 0.702 nan 8.240 nan 0.000 0.449 577 C N 2.519 121.787 119.300 -0.053 0.000 2.614 577 C HA 0.651 5.110 4.460 -0.002 0.000 0.320 577 C C -0.023 174.849 174.990 -0.197 0.000 1.200 577 C CA -0.980 57.950 59.018 -0.147 0.000 1.700 577 C CB 1.457 29.029 27.740 -0.280 0.000 2.275 577 C HN 0.868 nan 8.230 nan 0.000 0.492 578 Q N 1.531 121.215 119.800 -0.194 0.000 2.333 578 Q HA 0.292 4.631 4.340 -0.002 0.000 0.268 578 Q C -0.528 175.357 176.000 -0.192 0.000 1.007 578 Q CA -0.216 55.489 55.803 -0.162 0.000 0.810 578 Q CB 0.833 29.505 28.738 -0.111 0.000 1.264 578 Q HN 0.938 nan 8.270 nan 0.000 0.452 579 H N 1.714 120.606 119.070 -0.296 0.000 2.671 579 H HA 0.225 4.779 4.556 -0.002 0.000 0.372 579 H C -0.250 175.005 175.328 -0.122 0.000 1.227 579 H CA -0.148 55.743 56.048 -0.261 0.000 1.426 579 H CB 1.136 30.788 29.762 -0.184 0.000 1.480 579 H HN 0.658 nan 8.280 nan 0.000 0.611 580 S N 0.964 116.312 115.700 -0.586 0.000 2.626 580 S HA -0.117 4.351 4.470 -0.002 0.000 0.257 580 S C 0.896 175.382 174.600 -0.190 0.000 1.288 580 S CA -0.544 57.491 58.200 -0.276 0.000 0.980 580 S CB 0.215 63.377 63.200 -0.064 0.000 0.975 580 S HN 0.656 nan 8.310 nan 0.000 0.577 581 N N 0.265 118.896 118.700 -0.114 0.000 2.623 581 N HA 0.255 4.993 4.740 -0.002 0.000 0.263 581 N C -1.369 173.699 175.510 -0.737 0.000 1.218 581 N CA 0.071 52.902 53.050 -0.365 0.000 0.949 581 N CB -0.750 37.483 38.487 -0.422 0.000 1.270 581 N HN 0.363 nan 8.380 nan 0.000 0.507 582 F N -1.234 118.678 119.950 -0.062 0.000 2.824 582 F HA 0.413 4.939 4.527 -0.001 0.000 0.330 582 F C 0.091 175.981 175.800 0.150 0.000 1.175 582 F CA -1.093 56.923 58.000 0.026 0.000 0.974 582 F CB 0.961 39.975 39.000 0.024 0.000 1.430 582 F HN -0.163 nan 8.300 nan 0.000 0.507 583 Q N 1.156 121.196 119.800 0.400 0.000 2.337 583 Q HA 0.591 4.930 4.340 -0.002 0.000 0.266 583 Q C -1.496 174.690 176.000 0.311 0.000 1.023 583 Q CA -0.500 55.508 55.803 0.343 0.000 0.829 583 Q CB 1.715 30.570 28.738 0.196 0.000 1.306 583 Q HN 0.472 nan 8.270 nan 0.000 0.449 584 Q N 1.120 121.107 119.800 0.311 0.000 2.522 584 Q HA 0.460 4.799 4.340 -0.002 0.000 0.285 584 Q C -1.583 174.363 176.000 -0.090 0.000 0.982 584 Q CA -0.522 55.321 55.803 0.066 0.000 0.805 584 Q CB 2.664 31.419 28.738 0.028 0.000 1.457 584 Q HN 0.740 nan 8.270 nan 0.000 0.394 585 S N 0.474 115.973 115.700 -0.334 0.000 2.537 585 S HA 0.861 5.330 4.470 -0.002 0.000 0.301 585 S C -1.354 172.934 174.600 -0.519 0.000 1.092 585 S CA -0.239 57.776 58.200 -0.308 0.000 1.048 585 S CB 0.746 63.786 63.200 -0.266 0.000 1.053 585 S HN 0.398 nan 8.310 nan 0.000 0.501 586 Y N 0.010 120.159 120.300 -0.252 0.000 2.818 586 Y HA 0.614 5.163 4.550 -0.002 0.000 0.322 586 Y C -1.054 174.643 175.900 -0.338 0.000 1.323 586 Y CA -1.219 56.791 58.100 -0.149 0.000 1.090 586 Y CB 1.036 39.613 38.460 0.195 0.000 1.328 586 Y HN 0.593 nan 8.280 nan 0.000 0.482 587 F N 1.626 121.775 119.950 0.332 0.000 2.557 587 F HA 0.490 5.016 4.527 -0.002 0.000 0.316 587 F C -0.693 175.231 175.800 0.207 0.000 1.141 587 F CA -1.100 57.026 58.000 0.210 0.000 0.922 587 F CB 1.824 40.916 39.000 0.153 0.000 1.194 587 F HN 0.276 nan 8.300 nan 0.000 0.443 588 I N 3.779 124.557 120.570 0.348 0.000 2.353 588 I HA 0.529 4.698 4.170 -0.002 0.000 0.293 588 I C -0.705 175.576 176.117 0.274 0.000 0.992 588 I CA -0.158 61.203 61.300 0.102 0.000 1.268 588 I CB 1.210 39.128 38.000 -0.137 0.000 1.387 588 I HN 0.666 nan 8.210 nan 0.000 0.478 589 R N 6.756 127.338 120.500 0.136 0.000 2.637 589 R HA 0.734 5.073 4.340 -0.002 0.000 0.291 589 R C -1.531 174.824 176.300 0.092 0.000 0.963 589 R CA -0.794 55.379 56.100 0.122 0.000 0.901 589 R CB 1.339 31.727 30.300 0.147 0.000 1.160 589 R HN 0.828 nan 8.270 nan 0.000 0.457 590 I N 3.069 123.664 120.570 0.041 0.000 2.474 590 I HA 0.383 4.552 4.170 -0.002 0.000 0.294 590 I C -0.211 175.920 176.117 0.024 0.000 1.005 590 I CA -0.864 60.454 61.300 0.029 0.000 1.113 590 I CB 2.002 39.995 38.000 -0.012 0.000 1.289 590 I HN 0.493 nan 8.210 nan 0.000 0.436 591 R N 7.028 127.483 120.500 -0.074 0.000 2.239 591 R HA 0.424 4.763 4.340 -0.002 0.000 0.332 591 R C -1.521 174.799 176.300 0.034 0.000 0.988 591 R CA -0.345 55.590 56.100 -0.275 0.000 0.859 591 R CB 0.585 30.578 30.300 -0.513 0.000 1.148 591 R HN 0.626 nan 8.270 nan 0.000 0.482 592 Y N 0.959 121.223 120.300 -0.059 0.000 2.698 592 Y HA 0.885 5.434 4.550 -0.002 0.000 0.332 592 Y C -1.436 174.466 175.900 0.003 0.000 1.119 592 Y CA -1.350 56.774 58.100 0.040 0.000 1.109 592 Y CB 1.335 39.795 38.460 -0.000 0.000 1.308 592 Y HN 0.438 nan 8.280 nan 0.000 0.499 593 A N 1.022 123.667 122.820 -0.293 0.000 2.454 593 A HA 0.822 5.141 4.320 -0.002 0.000 0.302 593 A C -1.002 176.624 177.584 0.070 0.000 1.079 593 A CA -0.302 51.443 52.037 -0.487 0.000 0.731 593 A CB 1.598 20.039 19.000 -0.932 0.000 1.299 593 A HN 1.189 nan 8.150 nan 0.000 0.413 594 S N 0.256 116.107 115.700 0.252 0.000 2.583 594 S HA 0.453 4.922 4.470 -0.002 0.000 0.294 594 S C -0.567 173.861 174.600 -0.287 0.000 1.121 594 S CA -0.338 57.972 58.200 0.184 0.000 0.910 594 S CB 0.578 63.953 63.200 0.291 0.000 1.102 594 S HN 1.201 nan 8.310 nan 0.000 0.451 595 N N 3.437 121.777 118.700 -0.600 0.000 2.605 595 N HA 0.822 5.561 4.740 -0.002 0.000 0.277 595 N C 1.127 176.449 175.510 -0.314 0.000 1.355 595 N CA 0.521 53.101 53.050 -0.784 0.000 0.849 595 N CB -1.262 36.725 38.487 -0.833 0.000 1.111 595 N HN 1.565 nan 8.380 nan 0.000 0.441 596 G N -1.077 107.585 108.800 -0.231 0.000 2.698 596 G HA2 0.091 4.050 3.960 -0.002 0.000 0.233 596 G HA3 0.091 4.050 3.960 -0.002 0.000 0.233 596 G C -0.377 174.431 174.900 -0.154 0.000 1.352 596 G CA 0.308 45.316 45.100 -0.152 0.000 0.879 596 G HN 1.583 nan 8.290 nan 0.000 0.567 597 S N -1.917 113.688 115.700 -0.159 0.000 2.697 597 S HA 0.861 5.330 4.470 -0.002 0.000 0.289 597 S C 1.425 175.936 174.600 -0.150 0.000 1.149 597 S CA 0.513 58.630 58.200 -0.139 0.000 0.850 597 S CB 1.415 64.539 63.200 -0.127 0.000 1.151 597 S HN 2.466 nan 8.310 nan 0.000 0.491 598 A N 1.291 124.045 122.820 -0.110 0.000 2.032 598 A HA -0.100 4.219 4.320 -0.002 0.000 0.221 598 A C 1.587 179.093 177.584 -0.130 0.000 1.165 598 A CA 1.689 53.669 52.037 -0.095 0.000 0.645 598 A CB -1.020 17.943 19.000 -0.061 0.000 0.807 598 A HN 0.799 nan 8.150 nan 0.000 0.453 599 N N -0.634 117.962 118.700 -0.174 0.000 2.336 599 N HA -0.016 4.723 4.740 -0.002 0.000 0.189 599 N C 0.354 175.570 175.510 -0.491 0.000 1.113 599 N CA 1.235 54.159 53.050 -0.211 0.000 0.858 599 N CB 0.274 38.678 38.487 -0.139 0.000 0.970 599 N HN 0.618 nan 8.380 nan 0.000 0.471 600 T N -2.047 112.129 114.554 -0.630 0.000 3.448 600 T HA 0.349 4.698 4.350 -0.002 0.000 0.271 600 T C 0.216 174.514 174.700 -0.669 0.000 1.002 600 T CA -0.670 60.643 62.100 -1.312 0.000 0.995 600 T CB 0.219 68.592 68.868 -0.825 0.000 1.153 600 T HN -0.102 nan 8.240 nan 0.000 0.510 601 R N 1.359 121.660 120.500 -0.332 0.000 2.491 601 R HA 0.630 4.969 4.340 -0.002 0.000 0.283 601 R C 0.553 176.922 176.300 0.116 0.000 1.072 601 R CA -0.292 55.772 56.100 -0.061 0.000 1.048 601 R CB 0.463 30.748 30.300 -0.024 0.000 0.983 601 R HN 0.513 nan 8.270 nan 0.000 0.450 602 A N 2.768 125.647 122.820 0.100 0.000 2.371 602 A HA 0.384 4.703 4.320 -0.002 0.000 0.257 602 A C -0.201 177.433 177.584 0.083 0.000 1.089 602 A CA -0.490 51.618 52.037 0.119 0.000 0.794 602 A CB 0.829 19.875 19.000 0.077 0.000 1.029 602 A HN 0.446 nan 8.150 nan 0.000 0.488 603 V N 3.022 122.983 119.914 0.079 0.000 2.555 603 V HA 0.483 4.602 4.120 -0.002 0.000 0.302 603 V C -0.207 175.955 176.094 0.113 0.000 1.038 603 V CA -0.332 62.015 62.300 0.080 0.000 0.887 603 V CB 1.469 33.335 31.823 0.071 0.000 0.991 603 V HN 0.760 nan 8.190 nan 0.000 0.434 604 I N 1.764 122.443 120.570 0.183 0.000 2.436 604 I HA 0.657 4.825 4.170 -0.002 0.000 0.289 604 I C -0.771 175.540 176.117 0.323 0.000 1.010 604 I CA -0.580 60.921 61.300 0.334 0.000 1.098 604 I CB 1.924 40.204 38.000 0.466 0.000 1.266 604 I HN 0.398 nan 8.210 nan 0.000 0.434 605 N N 7.017 125.861 118.700 0.239 0.000 2.392 605 N HA 0.475 5.214 4.740 -0.002 0.000 0.283 605 N C -1.291 174.185 175.510 -0.058 0.000 1.003 605 N CA -0.446 52.658 53.050 0.090 0.000 0.892 605 N CB 3.110 41.623 38.487 0.043 0.000 1.193 605 N HN 0.650 nan 8.380 nan 0.000 0.487 606 L N 1.679 122.732 121.223 -0.284 0.000 2.280 606 L HA 0.323 4.662 4.340 -0.002 0.000 0.287 606 L C -0.362 176.253 176.870 -0.425 0.000 1.023 606 L CA -0.274 54.199 54.840 -0.611 0.000 0.819 606 L CB 0.926 42.389 42.059 -0.992 0.000 1.212 606 L HN 0.363 nan 8.230 nan 0.000 0.420 607 S N 5.892 121.383 115.700 -0.348 0.000 2.474 607 S HA 0.535 5.004 4.470 -0.002 0.000 0.321 607 S C -0.183 174.303 174.600 -0.191 0.000 1.080 607 S CA -0.404 57.667 58.200 -0.214 0.000 1.106 607 S CB 0.815 63.933 63.200 -0.137 0.000 0.984 607 S HN 0.418 nan 8.310 nan 0.000 0.464 608 I N 5.045 125.530 120.570 -0.141 0.000 2.412 608 I HA 0.272 4.441 4.170 -0.002 0.000 0.279 608 I C -2.484 173.615 176.117 -0.030 0.000 1.063 608 I CA -2.432 58.829 61.300 -0.064 0.000 1.193 608 I CB 1.118 39.119 38.000 0.002 0.000 1.370 608 I HN 0.240 nan 8.210 nan 0.000 0.479 609 P HA -0.039 nan 4.420 nan 0.000 0.260 609 P C 1.030 178.332 177.300 0.003 0.000 1.172 609 P CA 1.002 64.093 63.100 -0.016 0.000 0.760 609 P CB 0.498 32.191 31.700 -0.012 0.000 0.773 610 G N 1.509 110.307 108.800 -0.002 0.000 2.184 610 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.264 610 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.264 610 G C 0.665 175.570 174.900 0.009 0.000 0.975 610 G CA 0.365 45.469 45.100 0.006 0.000 0.642 610 G HN 0.438 nan 8.290 nan 0.000 0.536 611 V N -1.030 118.886 119.914 0.004 0.000 3.134 611 V HA 0.806 4.925 4.120 -0.002 0.000 0.222 611 V C 1.105 177.168 176.094 -0.052 0.000 1.247 611 V CA 1.767 64.059 62.300 -0.014 0.000 1.281 611 V CB 0.410 32.255 31.823 0.037 0.000 1.169 611 V HN 1.651 nan 8.190 nan 0.000 0.512 612 A N -0.031 122.755 122.820 -0.057 0.000 2.557 612 A HA 0.835 5.153 4.320 -0.002 0.000 0.292 612 A C -1.746 175.779 177.584 -0.097 0.000 1.139 612 A CA -0.285 51.706 52.037 -0.077 0.000 0.665 612 A CB 1.869 20.812 19.000 -0.095 0.000 1.285 612 A HN 0.169 nan 8.150 nan 0.000 0.433 613 E N 0.097 120.237 120.200 -0.100 0.000 2.460 613 E HA 0.579 4.928 4.350 -0.002 0.000 0.249 613 E C -1.879 174.645 176.600 -0.127 0.000 0.962 613 E CA -0.150 56.180 56.400 -0.116 0.000 0.787 613 E CB 0.632 30.290 29.700 -0.071 0.000 1.341 613 E HN 0.493 nan 8.360 nan 0.000 0.407 614 L N 1.998 123.075 121.223 -0.243 0.000 2.344 614 L HA 0.951 5.290 4.340 -0.002 0.000 0.272 614 L C 0.716 177.496 176.870 -0.150 0.000 1.035 614 L CA -0.532 54.151 54.840 -0.262 0.000 0.807 614 L CB 2.002 43.653 42.059 -0.679 0.000 1.237 614 L HN 0.504 nan 8.230 nan 0.000 0.442 615 G N 1.992 110.888 108.800 0.160 0.000 2.720 615 G HA2 0.778 4.737 3.960 -0.002 0.000 0.295 615 G HA3 0.778 4.737 3.960 -0.002 0.000 0.295 615 G C -1.395 173.706 174.900 0.335 0.000 1.437 615 G CA -0.624 44.638 45.100 0.269 0.000 0.886 615 G HN 0.651 nan 8.290 nan 0.000 0.509 616 M N -0.011 119.741 119.600 0.254 0.000 2.790 616 M HA 0.777 5.256 4.480 -0.002 0.000 0.272 616 M C -1.229 175.086 176.300 0.026 0.000 1.168 616 M CA -1.092 54.258 55.300 0.082 0.000 0.829 616 M CB 1.637 34.194 32.600 -0.071 0.000 1.675 616 M HN 1.255 nan 8.290 nan 0.000 0.505 617 A N 2.256 125.069 122.820 -0.011 0.000 2.301 617 A HA 0.823 5.142 4.320 -0.002 0.000 0.312 617 A C -0.749 176.790 177.584 -0.075 0.000 1.182 617 A CA -0.711 51.318 52.037 -0.014 0.000 0.826 617 A CB 0.648 19.653 19.000 0.009 0.000 1.134 617 A HN 0.805 nan 8.150 nan 0.000 0.501 618 L N 2.134 123.300 121.223 -0.095 0.000 2.379 618 L HA 0.320 4.659 4.340 -0.002 0.000 0.269 618 L C 0.271 177.145 176.870 0.007 0.000 1.084 618 L CA -0.414 54.322 54.840 -0.174 0.000 0.802 618 L CB 1.195 43.057 42.059 -0.329 0.000 1.175 618 L HN 0.838 nan 8.230 nan 0.000 0.448 619 N N 1.206 119.993 118.700 0.146 0.000 2.443 619 N HA 0.427 5.166 4.740 -0.002 0.000 0.293 619 N C -2.614 172.987 175.510 0.151 0.000 1.159 619 N CA -1.476 51.651 53.050 0.128 0.000 0.904 619 N CB 1.313 39.869 38.487 0.114 0.000 1.214 619 N HN 0.335 nan 8.380 nan 0.000 0.513 620 P HA 0.065 nan 4.420 nan 0.000 0.271 620 P C 0.206 177.491 177.300 -0.024 0.000 1.218 620 P CA 0.012 63.093 63.100 -0.032 0.000 0.780 620 P CB 0.813 32.464 31.700 -0.082 0.000 0.901 621 T N -1.525 112.996 114.554 -0.055 0.000 2.993 621 T HA 0.335 4.684 4.350 -0.002 0.000 0.260 621 T C 0.060 174.813 174.700 0.088 0.000 0.939 621 T CA -0.174 61.913 62.100 -0.022 0.000 0.886 621 T CB -0.356 68.430 68.868 -0.136 0.000 1.209 621 T HN 0.380 nan 8.240 nan 0.000 0.518 622 F N 1.061 120.954 119.950 -0.095 0.000 2.789 622 F HA 0.860 5.386 4.527 -0.002 0.000 0.319 622 F C -1.537 174.246 175.800 -0.029 0.000 1.168 622 F CA -1.100 56.860 58.000 -0.067 0.000 0.934 622 F CB 1.259 40.204 39.000 -0.091 0.000 1.375 622 F HN 0.089 nan 8.300 nan 0.000 0.480 623 S N 0.153 115.878 115.700 0.042 0.000 2.549 623 S HA 0.963 5.432 4.470 -0.002 0.000 0.280 623 S C -0.359 174.301 174.600 0.100 0.000 1.109 623 S CA -0.366 57.780 58.200 -0.090 0.000 0.905 623 S CB 1.070 64.246 63.200 -0.041 0.000 1.081 623 S HN 2.486 nan 8.310 nan 0.000 0.477 624 G N 0.841 109.651 108.800 0.016 0.000 2.409 624 G HA2 0.165 4.123 3.960 -0.002 0.000 0.421 624 G HA3 0.165 4.123 3.960 -0.002 0.000 0.421 624 G C 0.140 175.094 174.900 0.091 0.000 1.259 624 G CA 0.410 45.549 45.100 0.065 0.000 1.011 624 G HN 1.926 nan 8.290 nan 0.000 0.497 625 T N -3.288 111.239 114.554 -0.044 0.000 3.058 625 T HA 0.329 4.678 4.350 -0.002 0.000 0.278 625 T C 0.163 174.358 174.700 -0.842 0.000 0.974 625 T CA 1.015 62.915 62.100 -0.334 0.000 0.893 625 T CB 0.658 69.407 68.868 -0.198 0.000 1.138 625 T HN 0.561 nan 8.240 nan 0.000 0.529 626 D N 1.413 121.576 120.400 -0.394 0.000 2.435 626 D HA 0.206 4.845 4.640 -0.002 0.000 0.230 626 D C 0.122 176.226 176.300 -0.326 0.000 1.215 626 D CA -0.433 53.361 54.000 -0.344 0.000 0.947 626 D CB 0.131 40.850 40.800 -0.136 0.000 1.048 626 D HN 0.475 nan 8.370 nan 0.000 0.512 627 Y N 0.571 120.852 120.300 -0.031 0.000 2.475 627 Y HA -0.095 4.454 4.550 -0.002 0.000 0.289 627 Y C 2.568 178.414 175.900 -0.091 0.000 1.121 627 Y CA 0.497 58.512 58.100 -0.142 0.000 1.257 627 Y CB -0.101 38.319 38.460 -0.067 0.000 1.026 627 Y HN 0.284 nan 8.280 nan 0.000 0.555 628 T N -0.390 114.203 114.554 0.065 0.000 2.759 628 T HA -0.204 4.145 4.350 -0.002 0.000 0.269 628 T C 0.812 175.540 174.700 0.047 0.000 1.042 628 T CA 1.536 63.671 62.100 0.058 0.000 1.140 628 T CB -0.648 68.249 68.868 0.047 0.000 0.864 628 T HN 0.439 nan 8.240 nan 0.000 0.455 629 N N 1.136 119.850 118.700 0.023 0.000 2.538 629 N HA 0.337 5.076 4.740 -0.002 0.000 0.291 629 N C -0.450 175.091 175.510 0.050 0.000 1.323 629 N CA -0.350 52.730 53.050 0.049 0.000 0.934 629 N CB -0.398 38.111 38.487 0.037 0.000 1.255 629 N HN 0.330 nan 8.380 nan 0.000 0.509 630 L N 0.244 121.489 121.223 0.037 0.000 2.456 630 L HA 0.133 4.472 4.340 -0.002 0.000 0.272 630 L C 0.759 177.774 176.870 0.243 0.000 1.189 630 L CA -0.027 54.810 54.840 -0.006 0.000 0.846 630 L CB 0.451 42.418 42.059 -0.153 0.000 1.111 630 L HN 0.187 nan 8.230 nan 0.000 0.475 631 K N 1.469 121.961 120.400 0.153 0.000 2.148 631 K HA 0.061 4.380 4.320 -0.002 0.000 0.239 631 K C 0.567 177.292 176.600 0.208 0.000 1.018 631 K CA -0.536 55.857 56.287 0.176 0.000 0.923 631 K CB 0.464 33.028 32.500 0.106 0.000 1.117 631 K HN 0.405 nan 8.250 nan 0.000 0.477 632 Y N 1.569 121.810 120.300 -0.099 0.000 2.165 632 Y HA -0.244 4.305 4.550 -0.001 0.000 0.286 632 Y C 1.995 177.967 175.900 0.120 0.000 1.155 632 Y CA 1.994 60.045 58.100 -0.082 0.000 1.164 632 Y CB 0.203 38.572 38.460 -0.152 0.000 0.978 632 Y HN 0.480 nan 8.280 nan 0.000 0.513 633 K N 0.480 120.949 120.400 0.115 0.000 2.362 633 K HA -0.162 4.157 4.320 -0.002 0.000 0.200 633 K C 0.809 177.394 176.600 -0.025 0.000 1.046 633 K CA 1.535 57.842 56.287 0.033 0.000 0.952 633 K CB -0.382 32.177 32.500 0.099 0.000 0.753 633 K HN 0.427 nan 8.250 nan 0.000 0.466 634 D N -0.146 120.241 120.400 -0.020 0.000 2.269 634 D HA -0.048 4.590 4.640 -0.002 0.000 0.208 634 D C -0.042 176.036 176.300 -0.371 0.000 0.963 634 D CA 0.618 54.525 54.000 -0.155 0.000 0.864 634 D CB -0.076 40.562 40.800 -0.270 0.000 0.936 634 D HN 0.071 nan 8.370 nan 0.000 0.505 635 F N 1.115 120.939 119.950 -0.209 0.000 2.420 635 F HA 0.344 4.869 4.527 -0.002 0.000 0.342 635 F C 0.975 176.589 175.800 -0.309 0.000 1.113 635 F CA -0.524 57.295 58.000 -0.301 0.000 1.059 635 F CB 1.205 40.042 39.000 -0.272 0.000 1.128 635 F HN -0.364 nan 8.300 nan 0.000 0.475 636 Q N 1.698 121.337 119.800 -0.269 0.000 2.633 636 Q HA 0.456 4.795 4.340 -0.002 0.000 0.292 636 Q C -1.627 174.348 176.000 -0.041 0.000 1.089 636 Q CA -0.983 54.771 55.803 -0.081 0.000 0.811 636 Q CB 2.440 31.119 28.738 -0.098 0.000 1.472 636 Q HN 0.522 nan 8.270 nan 0.000 0.464 637 Y N 0.079 120.407 120.300 0.047 0.000 2.350 637 Y HA 0.559 5.108 4.550 -0.001 0.000 0.338 637 Y C -0.247 175.716 175.900 0.105 0.000 0.961 637 Y CA -0.448 57.710 58.100 0.097 0.000 1.100 637 Y CB 1.406 39.877 38.460 0.019 0.000 1.179 637 Y HN 0.268 nan 8.280 nan 0.000 0.454 638 L N 2.832 124.185 121.223 0.218 0.000 2.354 638 L HA 0.597 4.936 4.340 -0.002 0.000 0.269 638 L C -0.707 176.104 176.870 -0.098 0.000 1.005 638 L CA -0.837 54.016 54.840 0.022 0.000 0.819 638 L CB 2.697 44.694 42.059 -0.104 0.000 1.311 638 L HN 0.611 nan 8.230 nan 0.000 0.423 639 E N 1.436 121.547 120.200 -0.149 0.000 2.248 639 E HA 0.441 4.790 4.350 -0.002 0.000 0.267 639 E C -1.437 175.050 176.600 -0.187 0.000 0.877 639 E CA -0.702 55.617 56.400 -0.135 0.000 0.759 639 E CB 1.739 31.402 29.700 -0.061 0.000 1.182 639 E HN 0.256 nan 8.360 nan 0.000 0.418 640 F N 1.792 121.755 119.950 0.020 0.000 2.459 640 F HA 0.032 4.558 4.527 -0.002 0.000 0.346 640 F C 1.961 177.758 175.800 -0.005 0.000 1.128 640 F CA 0.194 58.207 58.000 0.022 0.000 1.268 640 F CB 1.178 40.210 39.000 0.053 0.000 1.161 640 F HN 0.593 nan 8.300 nan 0.000 0.583 641 S N 1.452 117.260 115.700 0.180 0.000 2.329 641 S HA -0.128 4.341 4.470 -0.002 0.000 0.215 641 S C 0.641 175.356 174.600 0.192 0.000 1.031 641 S CA 0.474 58.715 58.200 0.069 0.000 0.985 641 S CB -0.859 62.373 63.200 0.054 0.000 0.917 641 S HN 0.715 nan 8.310 nan 0.000 0.441 642 N N 3.750 122.571 118.700 0.202 0.000 2.395 642 N HA -0.008 4.731 4.740 -0.002 0.000 0.246 642 N C -0.207 175.475 175.510 0.288 0.000 1.246 642 N CA 0.040 53.212 53.050 0.204 0.000 0.879 642 N CB 0.158 38.703 38.487 0.096 0.000 1.098 642 N HN 0.810 nan 8.380 nan 0.000 0.444 643 E N -0.568 119.758 120.200 0.211 0.000 2.250 643 E HA 0.558 4.906 4.350 -0.002 0.000 0.265 643 E C -0.245 176.305 176.600 -0.083 0.000 1.033 643 E CA -1.235 55.177 56.400 0.020 0.000 0.888 643 E CB 1.610 31.139 29.700 -0.285 0.000 1.151 643 E HN 0.503 nan 8.360 nan 0.000 0.412 644 V N -1.201 118.612 119.914 -0.167 0.000 2.914 644 V HA 0.681 4.800 4.120 -0.002 0.000 0.314 644 V C -1.199 174.631 176.094 -0.440 0.000 1.084 644 V CA -1.061 61.047 62.300 -0.319 0.000 0.963 644 V CB 1.869 33.443 31.823 -0.416 0.000 1.025 644 V HN 0.852 nan 8.190 nan 0.000 0.432 645 K N 2.760 122.844 120.400 -0.526 0.000 2.443 645 K HA 0.572 4.891 4.320 -0.002 0.000 0.252 645 K C -1.842 174.478 176.600 -0.467 0.000 0.933 645 K CA -0.363 55.686 56.287 -0.396 0.000 0.792 645 K CB 1.818 34.213 32.500 -0.176 0.000 1.185 645 K HN 0.725 nan 8.250 nan 0.000 0.425 646 F N 0.924 120.829 119.950 -0.075 0.000 2.508 646 F HA 0.617 5.143 4.527 -0.002 0.000 0.325 646 F C 0.663 176.437 175.800 -0.043 0.000 1.090 646 F CA -1.182 56.680 58.000 -0.229 0.000 0.945 646 F CB 2.226 40.764 39.000 -0.770 0.000 1.156 646 F HN 0.714 nan 8.300 nan 0.000 0.463 647 A N 2.880 125.846 122.820 0.243 0.000 2.257 647 A HA 0.675 4.994 4.320 -0.002 0.000 0.289 647 A C -2.658 175.130 177.584 0.339 0.000 1.095 647 A CA -1.940 50.237 52.037 0.234 0.000 0.836 647 A CB 0.033 19.112 19.000 0.133 0.000 1.111 647 A HN 0.447 nan 8.150 nan 0.000 0.497 648 P HA 0.055 nan 4.420 nan 0.000 0.264 648 P C -0.484 176.858 177.300 0.070 0.000 1.193 648 P CA 0.505 63.674 63.100 0.116 0.000 0.763 648 P CB 0.114 31.810 31.700 -0.007 0.000 0.810 649 N N -0.055 118.664 118.700 0.032 0.000 2.714 649 N HA -0.247 4.492 4.740 -0.002 0.000 0.250 649 N C 0.063 175.584 175.510 0.019 0.000 1.117 649 N CA 0.792 53.840 53.050 -0.003 0.000 0.719 649 N CB -1.547 36.921 38.487 -0.033 0.000 1.081 649 N HN 0.642 nan 8.380 nan 0.000 0.557 650 Q N 1.064 120.906 119.800 0.069 0.000 2.297 650 Q HA 0.175 4.514 4.340 -0.002 0.000 0.267 650 Q C -0.154 175.819 176.000 -0.045 0.000 1.006 650 Q CA -0.339 55.481 55.803 0.029 0.000 0.896 650 Q CB 0.520 29.301 28.738 0.072 0.000 1.186 650 Q HN 0.231 nan 8.270 nan 0.000 0.392 651 N N 4.103 122.777 118.700 -0.042 0.000 2.470 651 N HA 0.238 4.977 4.740 -0.002 0.000 0.268 651 N C -1.300 174.159 175.510 -0.085 0.000 1.136 651 N CA -0.028 52.983 53.050 -0.065 0.000 0.961 651 N CB 0.486 38.953 38.487 -0.034 0.000 1.067 651 N HN 0.520 nan 8.380 nan 0.000 0.468 652 I N 1.557 122.041 120.570 -0.144 0.000 2.474 652 I HA 0.285 4.454 4.170 -0.002 0.000 0.294 652 I C -0.269 175.804 176.117 -0.073 0.000 1.005 652 I CA -0.809 60.400 61.300 -0.153 0.000 1.113 652 I CB 1.967 39.733 38.000 -0.390 0.000 1.289 652 I HN 0.377 nan 8.210 nan 0.000 0.436 653 S N 6.253 121.936 115.700 -0.029 0.000 2.433 653 S HA 0.510 4.979 4.470 -0.002 0.000 0.310 653 S C -0.509 174.081 174.600 -0.016 0.000 1.097 653 S CA -0.439 57.759 58.200 -0.002 0.000 1.103 653 S CB 1.028 64.230 63.200 0.003 0.000 0.992 653 S HN 0.272 nan 8.310 nan 0.000 0.469 654 L N 4.753 125.981 121.223 0.008 0.000 2.321 654 L HA 0.396 4.735 4.340 -0.002 0.000 0.272 654 L C -0.747 176.044 176.870 -0.132 0.000 1.050 654 L CA -0.158 54.643 54.840 -0.064 0.000 0.893 654 L CB 0.921 43.056 42.059 0.126 0.000 1.272 654 L HN 0.424 nan 8.230 nan 0.000 0.435 655 V N 3.832 123.603 119.914 -0.239 0.000 2.368 655 V HA 0.332 4.451 4.120 -0.002 0.000 0.266 655 V C -0.052 175.807 176.094 -0.390 0.000 1.045 655 V CA -0.445 61.741 62.300 -0.189 0.000 0.899 655 V CB 0.360 32.128 31.823 -0.091 0.000 1.006 655 V HN 0.293 nan 8.190 nan 0.000 0.470 656 F N 3.655 123.374 119.950 -0.385 0.000 2.420 656 F HA 0.513 5.038 4.527 -0.002 0.000 0.342 656 F C 0.534 176.390 175.800 0.093 0.000 1.113 656 F CA -0.181 57.580 58.000 -0.399 0.000 1.059 656 F CB 1.349 39.561 39.000 -1.314 0.000 1.128 656 F HN 0.453 nan 8.300 nan 0.000 0.475 657 N N 1.467 120.432 118.700 0.441 0.000 2.240 657 N HA 0.516 5.255 4.740 -0.002 0.000 0.302 657 N C -1.392 174.287 175.510 0.280 0.000 1.106 657 N CA -1.083 52.200 53.050 0.388 0.000 0.778 657 N CB 1.977 40.552 38.487 0.147 0.000 1.431 657 N HN 0.506 nan 8.380 nan 0.000 0.479 658 R N 0.512 120.949 120.500 -0.104 0.000 2.343 658 R HA 0.359 4.698 4.340 -0.002 0.000 0.320 658 R C -0.077 176.155 176.300 -0.113 0.000 0.956 658 R CA -0.285 55.657 56.100 -0.264 0.000 0.836 658 R CB 0.711 30.584 30.300 -0.712 0.000 1.151 658 R HN 0.810 nan 8.270 nan 0.000 0.450 659 S N 1.699 117.368 115.700 -0.051 0.000 2.506 659 S HA -0.011 4.458 4.470 -0.002 0.000 0.219 659 S C 0.384 174.941 174.600 -0.072 0.000 1.031 659 S CA -0.324 57.848 58.200 -0.046 0.000 0.911 659 S CB -0.145 63.045 63.200 -0.016 0.000 0.812 659 S HN 0.792 nan 8.310 nan 0.000 0.497 660 D N 1.560 121.920 120.400 -0.067 0.000 2.364 660 D HA 0.014 4.653 4.640 -0.002 0.000 0.236 660 D C 0.916 177.081 176.300 -0.225 0.000 1.221 660 D CA -0.261 53.666 54.000 -0.122 0.000 0.891 660 D CB 1.082 41.891 40.800 0.015 0.000 1.190 660 D HN 0.055 nan 8.370 nan 0.000 0.449 661 V N 0.280 119.910 119.914 -0.473 0.000 3.307 661 V HA -0.102 4.017 4.120 -0.002 0.000 0.253 661 V C 0.486 176.367 176.094 -0.356 0.000 1.149 661 V CA 0.074 62.125 62.300 -0.414 0.000 1.112 661 V CB -0.878 30.675 31.823 -0.449 0.000 0.777 661 V HN 0.452 nan 8.190 nan 0.000 0.464 662 Y N 2.001 122.290 120.300 -0.019 0.000 2.823 662 Y HA -0.056 4.493 4.550 -0.002 0.000 0.345 662 Y C 2.265 178.154 175.900 -0.018 0.000 1.154 662 Y CA 0.312 58.402 58.100 -0.017 0.000 2.010 662 Y CB -1.182 37.268 38.460 -0.017 0.000 2.099 662 Y HN 0.335 nan 8.280 nan 0.000 0.409 663 T N -3.227 111.359 114.554 0.053 0.000 2.822 663 T HA -0.270 4.079 4.350 -0.002 0.000 0.270 663 T C 1.604 176.339 174.700 0.058 0.000 1.064 663 T CA 1.768 63.889 62.100 0.034 0.000 1.131 663 T CB -0.069 68.808 68.868 0.015 0.000 0.858 663 T HN 0.440 nan 8.240 nan 0.000 0.483 664 N N 1.120 119.868 118.700 0.080 0.000 2.494 664 N HA 0.030 4.769 4.740 -0.002 0.000 0.182 664 N C 0.098 175.648 175.510 0.067 0.000 1.076 664 N CA 0.521 53.614 53.050 0.072 0.000 0.908 664 N CB -0.213 38.312 38.487 0.064 0.000 0.967 664 N HN 0.465 nan 8.380 nan 0.000 0.449 665 T N 1.597 116.195 114.554 0.074 0.000 2.776 665 T HA 0.128 4.477 4.350 -0.002 0.000 0.292 665 T C 0.245 174.970 174.700 0.041 0.000 0.921 665 T CA 0.053 62.177 62.100 0.041 0.000 1.038 665 T CB 0.377 69.275 68.868 0.049 0.000 0.910 665 T HN -0.044 nan 8.240 nan 0.000 0.536 666 T N 3.868 118.444 114.554 0.037 0.000 2.851 666 T HA 0.340 4.689 4.350 -0.002 0.000 0.298 666 T C 0.171 174.892 174.700 0.036 0.000 0.977 666 T CA -0.324 61.783 62.100 0.012 0.000 1.126 666 T CB 0.516 69.370 68.868 -0.023 0.000 0.916 666 T HN 0.278 nan 8.240 nan 0.000 0.529 667 V N 5.465 125.408 119.914 0.050 0.000 2.531 667 V HA 0.422 4.541 4.120 -0.002 0.000 0.301 667 V C -0.325 175.834 176.094 0.109 0.000 1.034 667 V CA -0.817 61.572 62.300 0.149 0.000 0.865 667 V CB 1.614 33.565 31.823 0.214 0.000 0.995 667 V HN 0.714 nan 8.190 nan 0.000 0.424 668 L N 5.696 126.981 121.223 0.102 0.000 2.294 668 L HA 0.538 4.877 4.340 -0.002 0.000 0.283 668 L C -0.584 176.352 176.870 0.110 0.000 1.015 668 L CA -0.541 54.321 54.840 0.036 0.000 0.831 668 L CB 1.506 43.539 42.059 -0.044 0.000 1.217 668 L HN 0.409 nan 8.230 nan 0.000 0.420 669 I N 2.681 123.262 120.570 0.020 0.000 2.352 669 I HA 0.061 4.230 4.170 -0.002 0.000 0.290 669 I C 0.627 176.691 176.117 -0.088 0.000 1.036 669 I CA 0.391 61.665 61.300 -0.043 0.000 1.336 669 I CB 1.322 39.168 38.000 -0.257 0.000 1.407 669 I HN 0.653 nan 8.210 nan 0.000 0.497 670 D N 6.382 126.764 120.400 -0.030 0.000 2.845 670 D HA 0.078 4.716 4.640 -0.002 0.000 0.272 670 D C 0.107 176.323 176.300 -0.139 0.000 1.275 670 D CA 1.208 55.142 54.000 -0.109 0.000 1.029 670 D CB 0.732 41.439 40.800 -0.155 0.000 1.131 670 D HN 0.250 nan 8.370 nan 0.000 0.423 671 K N 0.552 120.886 120.400 -0.111 0.000 2.318 671 K HA 0.368 4.687 4.320 -0.002 0.000 0.249 671 K C -0.708 175.875 176.600 -0.028 0.000 0.942 671 K CA -0.827 55.419 56.287 -0.068 0.000 0.808 671 K CB 2.600 35.074 32.500 -0.044 0.000 1.189 671 K HN 0.180 nan 8.250 nan 0.000 0.428 672 I N 2.206 122.786 120.570 0.016 0.000 2.339 672 I HA 0.304 4.473 4.170 -0.002 0.000 0.290 672 I C 0.097 176.245 176.117 0.051 0.000 0.994 672 I CA -0.435 60.885 61.300 0.032 0.000 1.191 672 I CB 1.076 39.134 38.000 0.097 0.000 1.343 672 I HN 0.480 nan 8.210 nan 0.000 0.458 673 E N 5.427 125.625 120.200 -0.002 0.000 2.212 673 E HA 0.538 4.887 4.350 -0.002 0.000 0.268 673 E C -1.505 175.056 176.600 -0.065 0.000 0.902 673 E CA -0.575 55.881 56.400 0.092 0.000 0.779 673 E CB 2.316 32.139 29.700 0.205 0.000 1.172 673 E HN 0.243 nan 8.360 nan 0.000 0.409 674 F N 2.341 122.433 119.950 0.237 0.000 2.426 674 F HA 0.335 4.861 4.527 -0.002 0.000 0.348 674 F C -0.238 175.798 175.800 0.393 0.000 1.124 674 F CA -0.725 57.437 58.000 0.271 0.000 1.008 674 F CB 0.840 39.884 39.000 0.074 0.000 1.139 674 F HN 0.144 nan 8.300 nan 0.000 0.452 675 L N 5.775 127.334 121.223 0.560 0.000 2.262 675 L HA 0.439 4.778 4.340 -0.002 0.000 0.288 675 L C -2.502 174.599 176.870 0.384 0.000 1.035 675 L CA -2.121 52.978 54.840 0.432 0.000 0.820 675 L CB 1.189 43.452 42.059 0.339 0.000 1.204 675 L HN 0.274 nan 8.230 nan 0.000 0.424 676 P HA 0.134 nan 4.420 nan 0.000 0.268 676 P C 0.534 177.770 177.300 -0.107 0.000 1.204 676 P CA 0.205 63.227 63.100 -0.130 0.000 0.768 676 P CB 1.117 32.800 31.700 -0.028 0.000 0.842 677 I N 0.727 121.147 120.570 -0.250 0.000 2.729 677 I HA 0.043 4.212 4.170 -0.002 0.000 0.256 677 I C 1.485 177.539 176.117 -0.104 0.000 1.115 677 I CA 0.902 62.102 61.300 -0.166 0.000 1.446 677 I CB -0.674 37.143 38.000 -0.305 0.000 1.176 677 I HN 0.323 nan 8.210 nan 0.000 0.446 678 T N 2.106 116.576 114.554 -0.139 0.000 2.728 678 T HA 0.608 4.957 4.350 -0.002 0.000 0.296 678 T C 0.440 175.111 174.700 -0.049 0.000 0.940 678 T CA -0.459 61.595 62.100 -0.077 0.000 1.013 678 T CB 0.100 68.922 68.868 -0.076 0.000 0.912 678 T HN 0.257 nan 8.240 nan 0.000 0.484 679 R N 0.000 120.492 120.500 -0.014 0.000 2.786 679 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 679 R CA 0.000 56.105 56.100 0.008 0.000 0.921 679 R CB 0.000 30.316 30.300 0.027 0.000 0.687 679 R HN 0.000 nan 8.270 nan 0.000 0.535