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 3hs0_1_F DATA FIRST_RESID 1 DATA SEQUENCE ALYTLITPAV LRTDTEEQIL VEAHGDSTPK QLDIFVHDFP RKQKTLFQTR DATA SEQUENCE VDMNPAGGML VTPTIEIPAK EVSTDSRQNQ YVVVQVTGPQ VRLEKVVLLS DATA SEQUENCE YQSSFLFIQT DKGIYTPGSP VLYRVFSMDH XXXXXXXTVI VEFQTPEGIL DATA SEQUENCE VSSNSVDLNF FWPYNLPDLV SLGTWRIVAK YEHSPENYTA YFDVRKYVLP DATA SEQUENCE SFEVRLQPSE KFFYIDGNEN FHVSITARYL YGEEVEGVAF VLFGVKIDDA DATA SEQUENCE KKSIPDSLTR IPIIDGDGKA TLKRDTFRSR FPNLNELVGH TLYASVTVMT DATA SEQUENCE ESGSDMVVTE QSGIHIVASP YQIHFTKTPK YFKPGMPYEL TVYVTNPDGS DATA SEQUENCE PAAHVPVVSE AFHSMGTTLS DGTAKLILNI PLNAQSLPIT VRTNHGDLPR DATA SEQUENCE ERQATKSMTA IAYQTQGGSG NYLHVAITST EIKPGDNLPV NFNVKGNANS DATA SEQUENCE LKQIKYFTYL ILNKGKIFKV GRQPRRDGQN LVTMNLHITP DLIPSFRFVA DATA SEQUENCE YYQVGNNEIV ADSVWVDVKD TCMGTLVVKG DNLIQMPGAA MKIKLEGDPG DATA SEQUENCE ARVGLVAVDK AVYVLNDKYK ISQAKIWDTI EKSDFGcTAG SGQNNLGVFE DATA SEQUENCE DAGLALTTST NLNTKQRSAA KcPQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.324 177.584 -0.434 0.000 1.274 1 A CA 0.000 51.866 52.037 -0.285 0.000 0.836 1 A CB 0.000 18.938 19.000 -0.103 0.000 0.831 2 L N 0.589 121.455 121.223 -0.595 0.000 2.439 2 L HA 0.826 5.166 4.340 0.000 0.000 0.270 2 L C -2.056 174.549 176.870 -0.442 0.000 0.972 2 L CA -0.692 53.906 54.840 -0.402 0.000 0.836 2 L CB 1.217 43.231 42.059 -0.075 0.000 1.255 2 L HN 0.151 nan 8.230 nan 0.000 0.404 3 Y N 2.052 122.415 120.300 0.106 0.000 2.376 3 Y HA 0.787 5.337 4.550 0.000 0.000 0.340 3 Y C 0.222 176.164 175.900 0.069 0.000 0.965 3 Y CA -0.914 57.233 58.100 0.077 0.000 1.078 3 Y CB 2.316 40.798 38.460 0.036 0.000 1.193 3 Y HN 0.631 nan 8.280 nan 0.000 0.452 4 T N 1.045 115.733 114.554 0.223 0.000 2.861 4 T HA 0.690 5.040 4.350 0.000 0.000 0.287 4 T C -1.459 173.281 174.700 0.065 0.000 1.003 4 T CA -0.753 61.414 62.100 0.112 0.000 0.977 4 T CB 1.806 70.746 68.868 0.121 0.000 0.996 4 T HN 0.447 nan 8.240 nan 0.000 0.448 5 L N 2.893 124.120 121.223 0.006 0.000 2.341 5 L HA 0.812 5.152 4.340 0.000 0.000 0.278 5 L C -1.449 175.387 176.870 -0.056 0.000 1.005 5 L CA -1.136 53.699 54.840 -0.008 0.000 0.818 5 L CB 1.203 43.261 42.059 -0.001 0.000 1.259 5 L HN 0.838 nan 8.230 nan 0.000 0.418 6 I N 4.104 124.657 120.570 -0.029 0.000 2.512 6 I HA 0.497 4.667 4.170 0.000 0.000 0.287 6 I C -0.646 175.475 176.117 0.007 0.000 1.069 6 I CA -0.237 61.041 61.300 -0.037 0.000 1.056 6 I CB 2.274 40.276 38.000 0.002 0.000 1.229 6 I HN 0.737 nan 8.210 nan 0.000 0.429 7 T N 2.906 117.461 114.554 0.002 0.000 2.906 7 T HA 0.606 4.956 4.350 0.000 0.000 0.295 7 T C -2.954 171.763 174.700 0.027 0.000 1.075 7 T CA -2.573 59.534 62.100 0.011 0.000 1.005 7 T CB 2.104 70.963 68.868 -0.015 0.000 1.136 7 T HN 0.041 nan 8.240 nan 0.000 0.498 8 P HA 0.157 nan 4.420 nan 0.000 0.261 8 P C 0.744 178.022 177.300 -0.038 0.000 1.173 8 P CA 0.132 63.254 63.100 0.038 0.000 0.760 8 P CB 0.177 31.899 31.700 0.036 0.000 0.783 9 A N 3.362 126.158 122.820 -0.039 0.000 2.125 9 A HA -0.001 4.319 4.320 0.000 0.000 0.219 9 A C 0.714 178.159 177.584 -0.232 0.000 1.156 9 A CA 1.360 53.344 52.037 -0.088 0.000 0.671 9 A CB -0.232 18.754 19.000 -0.024 0.000 0.794 9 A HN 0.429 nan 8.150 nan 0.000 0.459 10 V N 0.290 119.939 119.914 -0.441 0.000 2.623 10 V HA 0.361 4.481 4.120 0.000 0.000 0.304 10 V C -0.742 175.090 176.094 -0.436 0.000 1.054 10 V CA -0.506 61.427 62.300 -0.611 0.000 0.882 10 V CB 1.769 32.818 31.823 -1.290 0.000 1.002 10 V HN 0.324 nan 8.190 nan 0.000 0.424 11 L N 5.133 126.196 121.223 -0.267 0.000 2.289 11 L HA 0.605 4.945 4.340 0.000 0.000 0.285 11 L C 0.586 177.357 176.870 -0.165 0.000 1.049 11 L CA -0.407 54.330 54.840 -0.170 0.000 0.804 11 L CB 1.290 43.264 42.059 -0.141 0.000 1.195 11 L HN 0.569 nan 8.230 nan 0.000 0.428 12 R N 0.749 121.186 120.500 -0.105 0.000 2.549 12 R HA 0.285 4.625 4.340 0.000 0.000 0.259 12 R C 0.808 177.007 176.300 -0.167 0.000 1.095 12 R CA -0.582 55.446 56.100 -0.119 0.000 1.148 12 R CB 0.968 31.225 30.300 -0.071 0.000 1.181 12 R HN 0.618 nan 8.270 nan 0.000 0.571 13 T N 0.156 114.589 114.554 -0.202 0.000 2.893 13 T HA -0.208 4.142 4.350 0.000 0.000 0.208 13 T C 0.205 174.823 174.700 -0.137 0.000 1.414 13 T CA 1.772 63.755 62.100 -0.194 0.000 1.641 13 T CB -0.302 68.450 68.868 -0.194 0.000 0.974 13 T HN 0.765 nan 8.240 nan 0.000 0.361 14 D N 0.159 120.501 120.400 -0.098 0.000 3.079 14 D HA -0.113 4.527 4.640 0.000 0.000 0.214 14 D C 0.055 176.299 176.300 -0.092 0.000 1.145 14 D CA 1.446 55.394 54.000 -0.086 0.000 0.958 14 D CB -1.325 39.426 40.800 -0.082 0.000 1.117 14 D HN 0.528 nan 8.370 nan 0.000 0.416 15 T N -1.049 113.451 114.554 -0.090 0.000 2.754 15 T HA 0.326 4.676 4.350 0.000 0.000 0.296 15 T C -1.432 173.230 174.700 -0.063 0.000 1.205 15 T CA -0.591 61.474 62.100 -0.058 0.000 1.009 15 T CB 1.509 70.350 68.868 -0.045 0.000 1.368 15 T HN -0.056 nan 8.240 nan 0.000 0.509 16 E N 2.167 122.346 120.200 -0.035 0.000 2.290 16 E HA 0.264 4.614 4.350 0.000 0.000 0.277 16 E C -0.584 175.989 176.600 -0.044 0.000 1.035 16 E CA -0.210 56.160 56.400 -0.051 0.000 0.873 16 E CB 0.548 30.239 29.700 -0.016 0.000 1.029 16 E HN 0.297 nan 8.360 nan 0.000 0.419 17 E N 3.185 123.329 120.200 -0.093 0.000 2.182 17 E HA 0.126 4.476 4.350 0.000 0.000 0.258 17 E C -0.673 175.880 176.600 -0.078 0.000 0.879 17 E CA -0.489 55.871 56.400 -0.066 0.000 0.754 17 E CB 1.609 31.256 29.700 -0.088 0.000 1.162 17 E HN 0.441 nan 8.360 nan 0.000 0.419 18 Q N 2.513 122.296 119.800 -0.029 0.000 2.314 18 Q HA 0.377 4.717 4.340 0.000 0.000 0.258 18 Q C 0.496 176.483 176.000 -0.022 0.000 0.954 18 Q CA -0.016 55.768 55.803 -0.032 0.000 0.890 18 Q CB 1.215 29.942 28.738 -0.018 0.000 1.210 18 Q HN 0.568 nan 8.270 nan 0.000 0.410 19 I N -1.102 119.451 120.570 -0.030 0.000 3.237 19 I HA 0.671 4.841 4.170 0.000 0.000 0.308 19 I C -1.359 174.756 176.117 -0.004 0.000 1.093 19 I CA -1.327 59.965 61.300 -0.012 0.000 1.001 19 I CB 1.486 39.475 38.000 -0.018 0.000 1.245 19 I HN 0.360 nan 8.210 nan 0.000 0.485 20 L N 2.648 123.877 121.223 0.009 0.000 2.406 20 L HA 0.632 4.972 4.340 0.000 0.000 0.272 20 L C -1.158 175.724 176.870 0.019 0.000 0.980 20 L CA -0.449 54.401 54.840 0.016 0.000 0.831 20 L CB 1.783 43.869 42.059 0.046 0.000 1.253 20 L HN 0.498 nan 8.230 nan 0.000 0.406 21 V N 4.092 124.011 119.914 0.007 0.000 2.540 21 V HA 0.631 4.751 4.120 0.000 0.000 0.302 21 V C -0.422 175.671 176.094 -0.003 0.000 1.035 21 V CA -0.689 61.617 62.300 0.009 0.000 0.873 21 V CB 1.747 33.566 31.823 -0.007 0.000 0.992 21 V HN 0.730 nan 8.190 nan 0.000 0.428 22 E N 2.438 122.648 120.200 0.016 0.000 2.293 22 E HA 0.759 5.109 4.350 0.000 0.000 0.270 22 E C -0.889 175.677 176.600 -0.056 0.000 0.879 22 E CA -0.882 55.476 56.400 -0.070 0.000 0.756 22 E CB 2.711 32.375 29.700 -0.061 0.000 1.208 22 E HN 0.792 nan 8.360 nan 0.000 0.428 23 A N 3.600 126.330 122.820 -0.152 0.000 2.285 23 A HA 0.436 4.756 4.320 0.000 0.000 0.310 23 A C -1.005 176.473 177.584 -0.177 0.000 1.266 23 A CA -0.667 51.386 52.037 0.027 0.000 0.832 23 A CB 0.420 19.507 19.000 0.146 0.000 1.163 23 A HN 0.539 nan 8.150 nan 0.000 0.499 24 H N 0.941 120.068 119.070 0.095 0.000 2.472 24 H HA 0.477 5.033 4.556 0.000 0.000 0.338 24 H C 1.185 176.518 175.328 0.010 0.000 1.133 24 H CA 0.473 56.578 56.048 0.095 0.000 1.216 24 H CB 1.792 31.623 29.762 0.115 0.000 1.497 24 H HN 1.272 nan 8.280 nan 0.000 0.500 25 G N 2.460 111.361 108.800 0.169 0.000 2.225 25 G HA2 -0.248 3.712 3.960 0.000 0.000 0.267 25 G HA3 -0.248 3.712 3.960 0.000 0.000 0.267 25 G C -0.144 174.792 174.900 0.059 0.000 1.024 25 G CA 0.784 45.930 45.100 0.077 0.000 0.784 25 G HN 0.675 nan 8.290 nan 0.000 0.507 26 D N -1.447 119.004 120.400 0.085 0.000 2.596 26 D HA 0.723 5.363 4.640 0.000 0.000 0.234 26 D C 0.705 177.051 176.300 0.078 0.000 1.181 26 D CA 0.143 54.200 54.000 0.095 0.000 0.856 26 D CB 1.459 42.361 40.800 0.170 0.000 1.498 26 D HN 0.414 nan 8.370 nan 0.000 0.446 27 S N -0.868 114.870 115.700 0.064 0.000 2.822 27 S HA 0.111 4.581 4.470 0.000 0.000 0.251 27 S C -0.178 174.441 174.600 0.032 0.000 0.946 27 S CA -0.407 57.818 58.200 0.042 0.000 1.377 27 S CB -0.051 63.172 63.200 0.038 0.000 1.230 27 S HN 0.281 nan 8.310 nan 0.000 0.671 28 T N 5.678 120.256 114.554 0.040 0.000 2.738 28 T HA 0.374 4.724 4.350 0.000 0.000 0.293 28 T C -2.701 172.009 174.700 0.016 0.000 0.913 28 T CA -0.746 61.371 62.100 0.028 0.000 1.103 28 T CB 0.435 69.324 68.868 0.035 0.000 0.880 28 T HN 0.141 nan 8.240 nan 0.000 0.526 29 P HA 0.070 nan 4.420 nan 0.000 0.261 29 P C 0.119 177.413 177.300 -0.010 0.000 1.173 29 P CA 0.310 63.407 63.100 -0.004 0.000 0.760 29 P CB 0.584 32.280 31.700 -0.006 0.000 0.783 30 K N 2.107 122.495 120.400 -0.020 0.000 2.307 30 K HA 0.488 4.808 4.320 0.000 0.000 0.239 30 K C -0.256 176.324 176.600 -0.033 0.000 1.083 30 K CA -0.800 55.469 56.287 -0.031 0.000 0.913 30 K CB 1.274 33.743 32.500 -0.052 0.000 1.322 30 K HN 0.351 nan 8.250 nan 0.000 0.514 31 Q N 1.682 121.460 119.800 -0.038 0.000 2.878 31 Q HA 0.312 4.652 4.340 0.000 0.000 0.232 31 Q C -1.494 174.483 176.000 -0.038 0.000 0.893 31 Q CA -0.186 55.596 55.803 -0.035 0.000 0.742 31 Q CB 1.091 29.813 28.738 -0.026 0.000 1.354 31 Q HN 0.403 nan 8.270 nan 0.000 0.466 32 L N 1.765 122.960 121.223 -0.046 0.000 2.334 32 L HA 0.466 4.806 4.340 0.000 0.000 0.277 32 L C -0.126 176.715 176.870 -0.048 0.000 1.075 32 L CA -0.509 54.305 54.840 -0.043 0.000 0.804 32 L CB 0.960 42.989 42.059 -0.051 0.000 1.174 32 L HN 0.375 nan 8.230 nan 0.000 0.438 33 D N 3.220 123.607 120.400 -0.021 0.000 2.192 33 D HA 0.448 5.088 4.640 0.000 0.000 0.246 33 D C -0.415 175.819 176.300 -0.111 0.000 1.042 33 D CA -0.192 53.749 54.000 -0.098 0.000 0.847 33 D CB 2.517 43.355 40.800 0.062 0.000 1.186 33 D HN 0.112 nan 8.370 nan 0.000 0.461 34 I N 2.989 123.372 120.570 -0.312 0.000 2.390 34 I HA 0.310 4.480 4.170 0.000 0.000 0.283 34 I C -0.576 175.348 176.117 -0.320 0.000 1.016 34 I CA -0.527 60.684 61.300 -0.150 0.000 1.151 34 I CB -0.025 37.974 38.000 -0.001 0.000 1.293 34 I HN 0.109 nan 8.210 nan 0.000 0.458 35 F N 5.116 125.088 119.950 0.036 0.000 2.443 35 F HA 0.556 5.083 4.527 0.000 0.000 0.335 35 F C 0.321 176.120 175.800 -0.001 0.000 1.104 35 F CA -0.945 57.036 58.000 -0.033 0.000 1.013 35 F CB 2.010 41.018 39.000 0.014 0.000 1.136 35 F HN 0.028 nan 8.300 nan 0.000 0.470 36 V N 3.611 123.575 119.914 0.084 0.000 2.350 36 V HA 0.385 4.505 4.120 0.000 0.000 0.285 36 V C -0.331 175.719 176.094 -0.073 0.000 1.014 36 V CA -0.745 61.606 62.300 0.084 0.000 0.831 36 V CB 0.765 32.677 31.823 0.150 0.000 1.000 36 V HN 0.706 nan 8.190 nan 0.000 0.433 37 H N 1.912 121.084 119.070 0.171 0.000 2.616 37 H HA 0.415 4.971 4.556 0.000 0.000 0.353 37 H C -0.494 174.919 175.328 0.142 0.000 1.170 37 H CA -0.679 55.452 56.048 0.138 0.000 1.212 37 H CB 2.317 32.143 29.762 0.108 0.000 1.653 37 H HN 0.894 nan 8.280 nan 0.000 0.537 38 D N -0.057 120.494 120.400 0.252 0.000 2.369 38 D HA 0.148 4.788 4.640 0.000 0.000 0.241 38 D C -0.677 175.789 176.300 0.276 0.000 1.271 38 D CA -0.068 54.062 54.000 0.216 0.000 0.942 38 D CB 0.718 41.610 40.800 0.153 0.000 1.129 38 D HN 0.270 nan 8.370 nan 0.000 0.476 39 F N -0.478 119.536 119.950 0.107 0.000 2.578 39 F HA 0.368 4.895 4.527 0.000 0.000 0.311 39 F C -1.938 173.913 175.800 0.085 0.000 1.094 39 F CA -1.879 56.173 58.000 0.088 0.000 0.923 39 F CB 2.331 41.390 39.000 0.099 0.000 1.230 39 F HN 0.218 nan 8.300 nan 0.000 0.450 40 P HA -0.002 nan 4.420 nan 0.000 0.224 40 P C 0.664 177.622 177.300 -0.570 0.000 1.159 40 P CA 0.677 63.030 63.100 -1.246 0.000 0.824 40 P CB 0.090 31.189 31.700 -1.001 0.000 0.833 41 R N 1.329 121.667 120.500 -0.270 0.000 2.357 41 R HA 0.025 4.365 4.340 0.000 0.000 0.202 41 R C 0.438 176.661 176.300 -0.129 0.000 1.047 41 R CA 0.196 56.192 56.100 -0.173 0.000 1.034 41 R CB -0.950 29.291 30.300 -0.098 0.000 0.875 41 R HN 0.090 nan 8.270 nan 0.000 0.473 42 K N 1.157 121.496 120.400 -0.102 0.000 3.311 42 K HA -0.214 4.106 4.320 0.000 0.000 0.270 42 K C 0.105 176.701 176.600 -0.007 0.000 0.927 42 K CA 0.617 56.870 56.287 -0.057 0.000 0.706 42 K CB -0.864 31.488 32.500 -0.247 0.000 1.418 42 K HN 0.432 nan 8.250 nan 0.000 0.459 43 Q N 0.329 120.151 119.800 0.036 0.000 2.435 43 Q HA -0.032 4.308 4.340 0.000 0.000 0.207 43 Q C 0.669 176.716 176.000 0.079 0.000 0.956 43 Q CA 1.259 57.084 55.803 0.037 0.000 0.917 43 Q CB 0.175 28.930 28.738 0.029 0.000 0.997 43 Q HN 0.728 nan 8.270 nan 0.000 0.497 44 K N -2.158 118.333 120.400 0.150 0.000 2.672 44 K HA 0.349 4.669 4.320 0.000 0.000 0.295 44 K C -1.214 175.503 176.600 0.196 0.000 1.042 44 K CA -0.671 55.707 56.287 0.151 0.000 0.869 44 K CB 0.684 33.241 32.500 0.094 0.000 1.541 44 K HN -0.348 nan 8.250 nan 0.000 0.396 45 T N 2.362 116.970 114.554 0.090 0.000 3.029 45 T HA 0.217 4.567 4.350 0.000 0.000 0.346 45 T C 0.773 175.466 174.700 -0.011 0.000 1.211 45 T CA -0.520 61.556 62.100 -0.039 0.000 1.009 45 T CB 0.337 69.213 68.868 0.013 0.000 1.084 45 T HN 0.388 nan 8.240 nan 0.000 0.536 46 L N 2.362 123.587 121.223 0.003 0.000 2.083 46 L HA 0.279 4.619 4.340 0.000 0.000 0.209 46 L C 0.409 177.359 176.870 0.134 0.000 1.083 46 L CA 1.434 56.314 54.840 0.068 0.000 0.752 46 L CB -0.577 41.528 42.059 0.077 0.000 0.899 46 L HN 0.640 nan 8.230 nan 0.000 0.433 47 F N -1.345 118.562 119.950 -0.072 0.000 2.654 47 F HA 0.570 5.097 4.527 0.000 0.000 0.308 47 F C -0.916 174.809 175.800 -0.126 0.000 1.108 47 F CA -0.784 57.168 58.000 -0.079 0.000 0.957 47 F CB 1.192 40.151 39.000 -0.070 0.000 1.309 47 F HN -0.105 nan 8.300 nan 0.000 0.446 48 Q N 3.307 122.335 119.800 -1.285 0.000 2.386 48 Q HA 0.558 4.898 4.340 0.000 0.000 0.274 48 Q C -2.012 173.305 176.000 -1.139 0.000 1.011 48 Q CA -0.532 54.647 55.803 -1.040 0.000 0.867 48 Q CB 2.592 30.981 28.738 -0.583 0.000 1.409 48 Q HN 0.975 nan 8.270 nan 0.000 0.395 49 T N 1.345 115.408 114.554 -0.819 0.000 2.786 49 T HA 0.499 4.849 4.350 0.000 0.000 0.316 49 T C -2.033 172.458 174.700 -0.348 0.000 1.503 49 T CA -0.539 61.266 62.100 -0.492 0.000 1.019 49 T CB 1.680 70.356 68.868 -0.320 0.000 1.415 49 T HN 0.594 nan 8.240 nan 0.000 0.496 50 R N 1.924 122.294 120.500 -0.216 0.000 2.562 50 R HA 0.814 5.154 4.340 0.000 0.000 0.298 50 R C -1.566 174.678 176.300 -0.092 0.000 0.961 50 R CA -0.545 55.466 56.100 -0.149 0.000 0.881 50 R CB 1.449 31.679 30.300 -0.116 0.000 1.159 50 R HN 0.463 nan 8.270 nan 0.000 0.450 51 V N 2.499 122.370 119.914 -0.071 0.000 2.876 51 V HA 0.323 4.443 4.120 0.000 0.000 0.312 51 V C -0.973 175.095 176.094 -0.043 0.000 1.085 51 V CA -0.997 61.274 62.300 -0.049 0.000 0.945 51 V CB 2.262 34.062 31.823 -0.038 0.000 1.017 51 V HN 0.728 nan 8.190 nan 0.000 0.428 52 D N 3.682 124.060 120.400 -0.037 0.000 2.329 52 D HA 0.408 5.048 4.640 0.000 0.000 0.232 52 D C -0.416 175.863 176.300 -0.035 0.000 1.088 52 D CA -0.021 53.958 54.000 -0.034 0.000 0.835 52 D CB 1.748 42.531 40.800 -0.030 0.000 1.078 52 D HN 0.535 nan 8.370 nan 0.000 0.495 53 M N 3.449 123.027 119.600 -0.036 0.000 2.044 53 M HA 0.304 4.784 4.480 0.000 0.000 0.333 53 M C -1.550 174.732 176.300 -0.030 0.000 1.004 53 M CA -0.522 54.756 55.300 -0.038 0.000 0.954 53 M CB 0.361 32.936 32.600 -0.042 0.000 1.468 53 M HN 0.265 nan 8.290 nan 0.000 0.414 54 N N 4.184 122.866 118.700 -0.031 0.000 2.455 54 N HA 0.673 5.413 4.740 0.000 0.000 0.278 54 N C -2.857 172.638 175.510 -0.026 0.000 1.291 54 N CA -1.571 51.466 53.050 -0.023 0.000 0.780 54 N CB 0.833 39.309 38.487 -0.019 0.000 1.520 54 N HN 0.148 nan 8.380 nan 0.000 0.486 55 P HA -0.134 nan 4.420 nan 0.000 0.220 55 P C 0.866 178.152 177.300 -0.023 0.000 1.144 55 P CA 1.689 64.779 63.100 -0.016 0.000 0.800 55 P CB -0.031 31.667 31.700 -0.004 0.000 0.772 56 A N -0.074 122.733 122.820 -0.022 0.000 1.902 56 A HA -0.026 4.294 4.320 0.000 0.000 0.217 56 A C 2.184 179.747 177.584 -0.035 0.000 1.181 56 A CA 1.828 53.851 52.037 -0.024 0.000 0.623 56 A CB -1.613 17.375 19.000 -0.020 0.000 0.818 56 A HN 0.303 nan 8.150 nan 0.000 0.443 57 G N -1.709 107.065 108.800 -0.043 0.000 3.440 57 G HA2 0.405 4.365 3.960 0.000 0.000 0.263 57 G HA3 0.405 4.365 3.960 0.000 0.000 0.263 57 G C 1.014 175.866 174.900 -0.080 0.000 1.236 57 G CA 0.467 45.532 45.100 -0.058 0.000 0.927 57 G HN 1.538 nan 8.290 nan 0.000 0.530 58 G N 0.610 109.363 108.800 -0.078 0.000 2.258 58 G HA2 -0.269 3.691 3.960 0.000 0.000 0.274 58 G HA3 -0.269 3.691 3.960 0.000 0.000 0.274 58 G C 0.746 175.565 174.900 -0.134 0.000 1.021 58 G CA 0.193 45.225 45.100 -0.113 0.000 0.798 58 G HN 0.825 nan 8.290 nan 0.000 0.507 59 M N -2.428 117.118 119.600 -0.091 0.000 2.573 59 M HA -0.148 4.332 4.480 0.000 0.000 0.184 59 M C -0.089 176.138 176.300 -0.121 0.000 0.953 59 M CA 1.563 56.813 55.300 -0.085 0.000 0.592 59 M CB -2.226 30.334 32.600 -0.066 0.000 1.151 59 M HN 1.635 nan 8.290 nan 0.000 0.850 60 L N 0.541 121.703 121.223 -0.102 0.000 3.055 60 L HA 0.669 5.009 4.340 0.000 0.000 0.261 60 L C -1.162 175.660 176.870 -0.080 0.000 0.939 60 L CA -0.704 54.073 54.840 -0.105 0.000 1.091 60 L CB 1.478 43.449 42.059 -0.147 0.000 1.690 60 L HN 0.232 nan 8.230 nan 0.000 0.520 61 V N 1.010 120.888 119.914 -0.060 0.000 2.769 61 V HA 0.940 5.060 4.120 0.000 0.000 0.312 61 V C 0.087 176.154 176.094 -0.045 0.000 1.061 61 V CA 0.141 62.410 62.300 -0.051 0.000 0.931 61 V CB 1.832 33.630 31.823 -0.041 0.000 1.010 61 V HN 0.864 nan 8.190 nan 0.000 0.433 62 T N 0.997 115.522 114.554 -0.048 0.000 3.253 62 T HA 0.588 4.938 4.350 0.000 0.000 0.391 62 T C -2.497 172.182 174.700 -0.035 0.000 1.527 62 T CA -1.317 60.756 62.100 -0.045 0.000 1.268 62 T CB 0.266 69.095 68.868 -0.065 0.000 1.126 62 T HN 0.674 nan 8.240 nan 0.000 0.620 63 P HA 0.392 nan 4.420 nan 0.000 0.274 63 P C -0.279 177.004 177.300 -0.028 0.000 1.231 63 P CA -0.290 62.809 63.100 -0.000 0.000 0.790 63 P CB 0.656 32.374 31.700 0.031 0.000 0.951 64 T N 2.817 117.353 114.554 -0.029 0.000 2.770 64 T HA 0.503 4.853 4.350 0.000 0.000 0.297 64 T C 0.375 174.899 174.700 -0.293 0.000 0.997 64 T CA -0.422 61.613 62.100 -0.107 0.000 0.949 64 T CB -0.320 68.510 68.868 -0.064 0.000 0.941 64 T HN 0.289 nan 8.240 nan 0.000 0.457 65 I N 0.927 121.188 120.570 -0.515 0.000 2.783 65 I HA 0.800 4.970 4.170 0.000 0.000 0.312 65 I C -0.254 175.384 176.117 -0.798 0.000 0.988 65 I CA -0.789 59.770 61.300 -1.236 0.000 1.182 65 I CB 1.690 39.139 38.000 -0.918 0.000 1.368 65 I HN 0.516 nan 8.210 nan 0.000 0.511 66 E N 4.781 124.462 120.200 -0.864 0.000 2.313 66 E HA 0.429 4.779 4.350 0.000 0.000 0.280 66 E C -1.748 174.756 176.600 -0.160 0.000 0.898 66 E CA -0.577 55.628 56.400 -0.326 0.000 0.803 66 E CB 1.763 31.364 29.700 -0.166 0.000 1.286 66 E HN 0.733 nan 8.360 nan 0.000 0.401 67 I N 6.363 126.861 120.570 -0.121 0.000 2.310 67 I HA 0.296 4.466 4.170 0.000 0.000 0.287 67 I C -2.185 173.913 176.117 -0.031 0.000 1.073 67 I CA -2.224 59.044 61.300 -0.054 0.000 1.216 67 I CB 0.799 38.750 38.000 -0.082 0.000 1.415 67 I HN 0.287 nan 8.210 nan 0.000 0.480 68 P HA -0.009 nan 4.420 nan 0.000 0.267 68 P C 0.411 177.739 177.300 0.046 0.000 1.200 68 P CA 0.083 63.200 63.100 0.027 0.000 0.772 68 P CB 1.000 32.730 31.700 0.049 0.000 0.855 69 A N 3.525 126.385 122.820 0.067 0.000 2.178 69 A HA -0.062 4.258 4.320 0.000 0.000 0.211 69 A C 1.712 179.395 177.584 0.164 0.000 1.157 69 A CA 0.778 52.904 52.037 0.148 0.000 0.780 69 A CB -0.635 18.474 19.000 0.182 0.000 0.828 69 A HN 0.366 nan 8.150 nan 0.000 0.476 70 K N 0.483 120.948 120.400 0.109 0.000 2.147 70 K HA -0.101 4.219 4.320 0.000 0.000 0.205 70 K C 1.040 177.703 176.600 0.106 0.000 1.049 70 K CA 1.069 57.416 56.287 0.100 0.000 0.936 70 K CB -0.056 32.486 32.500 0.071 0.000 0.722 70 K HN 0.486 nan 8.250 nan 0.000 0.446 71 E N 0.141 120.401 120.200 0.100 0.000 2.447 71 E HA -0.021 4.329 4.350 0.000 0.000 0.195 71 E C 1.183 177.844 176.600 0.103 0.000 1.028 71 E CA 0.287 56.740 56.400 0.089 0.000 0.876 71 E CB 0.449 30.195 29.700 0.075 0.000 0.885 71 E HN -0.029 nan 8.360 nan 0.000 0.500 72 V N 1.497 121.493 119.914 0.136 0.000 3.166 72 V HA 0.069 4.189 4.120 0.000 0.000 0.332 72 V C 0.090 176.320 176.094 0.227 0.000 1.434 72 V CA 0.034 62.426 62.300 0.153 0.000 1.121 72 V CB 0.265 32.160 31.823 0.120 0.000 1.062 72 V HN 0.133 nan 8.190 nan 0.000 0.489 73 S N 1.202 117.033 115.700 0.218 0.000 2.516 73 S HA 0.399 4.869 4.470 0.000 0.000 0.282 73 S C 0.004 174.598 174.600 -0.011 0.000 1.286 73 S CA 0.461 58.763 58.200 0.170 0.000 1.066 73 S CB 0.567 63.934 63.200 0.278 0.000 0.884 73 S HN 0.572 nan 8.310 nan 0.000 0.491 74 T N 2.667 117.099 114.554 -0.203 0.000 3.755 74 T HA 0.130 4.480 4.350 0.000 0.000 0.327 74 T C -0.903 173.601 174.700 -0.327 0.000 0.801 74 T CA -0.751 61.241 62.100 -0.180 0.000 1.026 74 T CB 0.780 69.624 68.868 -0.039 0.000 1.040 74 T HN 0.627 nan 8.240 nan 0.000 0.470 75 D N 2.628 122.780 120.400 -0.413 0.000 2.886 75 D HA -0.004 4.636 4.640 0.000 0.000 0.226 75 D C 1.556 177.752 176.300 -0.173 0.000 1.117 75 D CA 0.336 54.121 54.000 -0.359 0.000 1.121 75 D CB 0.084 40.765 40.800 -0.199 0.000 1.186 75 D HN 0.621 nan 8.370 nan 0.000 0.440 76 S N 0.099 115.711 115.700 -0.147 0.000 2.339 76 S HA 0.037 4.507 4.470 0.000 0.000 0.213 76 S C 1.046 175.623 174.600 -0.038 0.000 1.033 76 S CA -0.140 58.023 58.200 -0.062 0.000 0.950 76 S CB 0.288 63.473 63.200 -0.024 0.000 0.893 76 S HN 0.411 nan 8.310 nan 0.000 0.492 77 R N 0.349 120.829 120.500 -0.033 0.000 3.565 77 R HA -0.261 4.080 4.340 0.000 0.000 0.593 77 R C 0.414 176.721 176.300 0.012 0.000 0.241 77 R CA 0.962 57.060 56.100 -0.004 0.000 1.829 77 R CB -1.093 29.204 30.300 -0.006 0.000 0.936 77 R HN 0.705 nan 8.270 nan 0.000 0.596 78 Q N -1.058 118.754 119.800 0.021 0.000 2.858 78 Q HA -0.424 3.916 4.340 0.000 0.000 0.191 78 Q C 0.234 176.254 176.000 0.035 0.000 2.796 78 Q CA 2.311 58.136 55.803 0.036 0.000 0.359 78 Q CB -0.999 27.765 28.738 0.044 0.000 0.330 78 Q HN 0.939 nan 8.270 nan 0.000 0.511 79 N N -2.211 116.504 118.700 0.025 0.000 4.644 79 N HA -0.062 4.678 4.740 0.000 0.000 0.335 79 N C -1.729 173.779 175.510 -0.002 0.000 1.083 79 N CA 0.374 53.419 53.050 -0.008 0.000 0.898 79 N CB -0.441 37.994 38.487 -0.087 0.000 1.495 79 N HN 0.123 nan 8.380 nan 0.000 0.247 80 Q N -0.834 118.889 119.800 -0.129 0.000 2.386 80 Q HA 0.516 4.856 4.340 0.000 0.000 0.274 80 Q C -1.647 174.179 176.000 -0.290 0.000 1.011 80 Q CA -0.307 55.463 55.803 -0.055 0.000 0.867 80 Q CB 1.832 30.608 28.738 0.063 0.000 1.409 80 Q HN 0.647 nan 8.270 nan 0.000 0.395 81 Y N -0.592 119.746 120.300 0.064 0.000 2.602 81 Y HA 0.747 5.297 4.550 0.000 0.000 0.342 81 Y C 0.266 176.204 175.900 0.063 0.000 1.029 81 Y CA -0.918 57.182 58.100 0.001 0.000 1.080 81 Y CB 2.046 40.446 38.460 -0.100 0.000 1.284 81 Y HN 0.404 nan 8.280 nan 0.000 0.485 82 V N -0.675 119.349 119.914 0.182 0.000 3.126 82 V HA 0.862 4.982 4.120 0.000 0.000 0.314 82 V C -1.735 174.453 176.094 0.156 0.000 1.138 82 V CA -0.960 61.447 62.300 0.180 0.000 1.034 82 V CB 1.807 33.684 31.823 0.090 0.000 1.075 82 V HN 0.566 nan 8.190 nan 0.000 0.442 83 V N 2.659 122.707 119.914 0.222 0.000 2.444 83 V HA 0.655 4.775 4.120 0.000 0.000 0.294 83 V C -0.479 175.728 176.094 0.188 0.000 1.022 83 V CA -0.287 62.133 62.300 0.199 0.000 0.850 83 V CB 1.800 33.822 31.823 0.331 0.000 0.992 83 V HN 0.936 nan 8.190 nan 0.000 0.426 84 V N 7.283 127.270 119.914 0.122 0.000 2.465 84 V HA 0.515 4.635 4.120 0.000 0.000 0.279 84 V C -0.028 176.154 176.094 0.147 0.000 1.045 84 V CA -0.372 62.004 62.300 0.126 0.000 0.938 84 V CB 1.321 33.184 31.823 0.066 0.000 0.986 84 V HN 0.937 nan 8.190 nan 0.000 0.467 85 Q N 2.854 122.774 119.800 0.201 0.000 2.356 85 Q HA 0.706 5.046 4.340 0.000 0.000 0.270 85 Q C -1.544 174.569 176.000 0.187 0.000 1.058 85 Q CA -0.746 55.175 55.803 0.197 0.000 0.802 85 Q CB 2.981 31.871 28.738 0.254 0.000 1.303 85 Q HN 0.578 nan 8.270 nan 0.000 0.444 86 V N 1.725 121.713 119.914 0.124 0.000 2.444 86 V HA 0.553 4.673 4.120 0.000 0.000 0.294 86 V C -0.224 175.913 176.094 0.072 0.000 1.022 86 V CA -0.621 61.733 62.300 0.090 0.000 0.850 86 V CB 1.551 33.397 31.823 0.037 0.000 0.992 86 V HN 0.937 nan 8.190 nan 0.000 0.426 87 T N 1.268 115.879 114.554 0.094 0.000 2.876 87 T HA 0.961 5.311 4.350 0.000 0.000 0.289 87 T C -0.078 174.631 174.700 0.015 0.000 1.014 87 T CA -0.114 62.020 62.100 0.057 0.000 0.986 87 T CB 2.218 71.148 68.868 0.103 0.000 1.021 87 T HN 1.207 nan 8.240 nan 0.000 0.458 88 G N 1.262 110.041 108.800 -0.035 0.000 2.490 88 G HA2 0.616 4.576 3.960 0.000 0.000 0.308 88 G HA3 0.616 4.576 3.960 0.000 0.000 0.308 88 G C -3.282 171.575 174.900 -0.072 0.000 1.286 88 G CA -1.105 43.962 45.100 -0.056 0.000 0.825 88 G HN 0.648 nan 8.290 nan 0.000 0.479 89 P HA 0.321 nan 4.420 nan 0.000 0.264 89 P C -0.165 177.080 177.300 -0.093 0.000 1.236 89 P CA 0.627 63.693 63.100 -0.057 0.000 0.811 89 P CB 0.566 32.242 31.700 -0.040 0.000 0.840 90 Q N -0.590 119.176 119.800 -0.057 0.000 2.324 90 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 90 Q C -0.278 175.645 176.000 -0.128 0.000 0.645 90 Q CA 0.789 56.578 55.803 -0.025 0.000 1.377 90 Q CB -1.924 26.851 28.738 0.062 0.000 1.486 90 Q HN 0.279 nan 8.270 nan 0.000 0.796 91 V N 1.569 121.319 119.914 -0.273 0.000 2.311 91 V HA 0.383 4.504 4.120 0.000 0.000 0.275 91 V C 0.082 176.098 176.094 -0.130 0.000 1.022 91 V CA -0.177 61.897 62.300 -0.376 0.000 0.830 91 V CB 1.424 32.910 31.823 -0.561 0.000 1.012 91 V HN 0.101 nan 8.190 nan 0.000 0.452 92 R N 5.756 126.233 120.500 -0.039 0.000 2.407 92 R HA 0.625 4.965 4.340 0.000 0.000 0.298 92 R C -1.427 174.891 176.300 0.029 0.000 1.166 92 R CA -0.425 55.676 56.100 0.003 0.000 1.006 92 R CB 1.539 31.846 30.300 0.012 0.000 1.145 92 R HN 0.566 nan 8.270 nan 0.000 0.538 93 L N 2.215 123.456 121.223 0.030 0.000 2.354 93 L HA 0.577 4.917 4.340 0.000 0.000 0.269 93 L C -0.318 176.579 176.870 0.044 0.000 1.005 93 L CA -0.735 54.128 54.840 0.039 0.000 0.819 93 L CB 2.331 44.415 42.059 0.041 0.000 1.311 93 L HN 0.566 nan 8.230 nan 0.000 0.423 94 E N 1.567 121.789 120.200 0.036 0.000 2.363 94 E HA 0.578 4.928 4.350 0.000 0.000 0.281 94 E C -1.687 174.924 176.600 0.018 0.000 0.953 94 E CA -1.090 55.338 56.400 0.046 0.000 0.778 94 E CB 2.437 32.175 29.700 0.064 0.000 1.220 94 E HN 0.189 nan 8.360 nan 0.000 0.431 95 K N 2.173 122.581 120.400 0.014 0.000 2.471 95 K HA 0.357 4.677 4.320 0.000 0.000 0.252 95 K C -1.632 174.939 176.600 -0.049 0.000 0.938 95 K CA -0.926 55.344 56.287 -0.028 0.000 0.796 95 K CB 2.186 34.664 32.500 -0.036 0.000 1.161 95 K HN 0.457 nan 8.250 nan 0.000 0.425 96 V N 4.600 124.434 119.914 -0.133 0.000 2.439 96 V HA 0.310 4.430 4.120 0.000 0.000 0.271 96 V C -0.080 175.912 176.094 -0.171 0.000 1.040 96 V CA -0.628 61.513 62.300 -0.264 0.000 1.002 96 V CB 0.933 32.393 31.823 -0.605 0.000 1.000 96 V HN 0.434 nan 8.190 nan 0.000 0.477 97 V N 6.025 125.896 119.914 -0.071 0.000 2.628 97 V HA 0.420 4.540 4.120 0.000 0.000 0.306 97 V C -0.127 176.017 176.094 0.084 0.000 1.045 97 V CA -0.844 61.449 62.300 -0.012 0.000 0.905 97 V CB 1.985 33.784 31.823 -0.040 0.000 0.997 97 V HN 0.712 nan 8.190 nan 0.000 0.436 98 L N 4.539 125.800 121.223 0.063 0.000 2.416 98 L HA 0.423 4.763 4.340 0.000 0.000 0.272 98 L C -0.523 176.224 176.870 -0.205 0.000 1.161 98 L CA 0.361 55.158 54.840 -0.072 0.000 0.845 98 L CB 0.851 42.851 42.059 -0.099 0.000 1.119 98 L HN 0.624 nan 8.230 nan 0.000 0.464 99 L N 4.470 125.518 121.223 -0.292 0.000 2.307 99 L HA 0.608 4.948 4.340 0.000 0.000 0.284 99 L C -0.321 176.370 176.870 -0.298 0.000 1.023 99 L CA 0.374 55.040 54.840 -0.290 0.000 0.810 99 L CB 1.637 43.518 42.059 -0.297 0.000 1.231 99 L HN 0.752 nan 8.230 nan 0.000 0.423 100 S N 3.053 118.583 115.700 -0.283 0.000 2.503 100 S HA 0.436 4.906 4.470 0.000 0.000 0.301 100 S C 0.088 174.540 174.600 -0.246 0.000 1.087 100 S CA -0.380 57.721 58.200 -0.165 0.000 1.042 100 S CB 0.778 63.958 63.200 -0.033 0.000 1.043 100 S HN 0.565 nan 8.310 nan 0.000 0.489 101 Y N 1.720 121.996 120.300 -0.040 0.000 2.482 101 Y HA 0.280 4.830 4.550 0.000 0.000 0.270 101 Y C 1.481 177.277 175.900 -0.174 0.000 1.152 101 Y CA 0.048 58.108 58.100 -0.065 0.000 1.292 101 Y CB 0.291 38.763 38.460 0.020 0.000 1.070 101 Y HN 0.580 nan 8.280 nan 0.000 0.528 102 Q N 0.914 120.698 119.800 -0.026 0.000 2.489 102 Q HA 0.012 4.352 4.340 0.000 0.000 0.231 102 Q C 1.079 176.844 176.000 -0.391 0.000 1.273 102 Q CA -0.025 55.683 55.803 -0.157 0.000 0.898 102 Q CB 0.489 29.206 28.738 -0.035 0.000 1.545 102 Q HN 0.411 nan 8.270 nan 0.000 0.538 103 S N 0.653 115.885 115.700 -0.781 0.000 2.420 103 S HA -0.139 4.331 4.470 0.000 0.000 0.237 103 S C 0.875 175.243 174.600 -0.387 0.000 1.023 103 S CA 1.042 58.879 58.200 -0.605 0.000 0.991 103 S CB -0.049 62.682 63.200 -0.782 0.000 0.792 103 S HN 0.756 nan 8.310 nan 0.000 0.488 104 S N -0.889 114.591 115.700 -0.366 0.000 2.663 104 S HA 0.530 5.000 4.470 0.000 0.000 0.264 104 S C -1.549 172.909 174.600 -0.236 0.000 1.112 104 S CA -1.203 56.816 58.200 -0.301 0.000 0.823 104 S CB -0.033 63.161 63.200 -0.011 0.000 1.111 104 S HN 0.015 nan 8.310 nan 0.000 0.476 105 F N 1.478 121.513 119.950 0.141 0.000 2.424 105 F HA 0.596 5.123 4.527 0.000 0.000 0.356 105 F C 0.246 176.012 175.800 -0.057 0.000 1.110 105 F CA -0.603 57.411 58.000 0.024 0.000 1.161 105 F CB 0.618 39.684 39.000 0.111 0.000 1.115 105 F HN 0.404 nan 8.300 nan 0.000 0.507 106 L N 3.904 125.041 121.223 -0.143 0.000 2.334 106 L HA 0.619 4.959 4.340 0.000 0.000 0.275 106 L C -0.932 175.474 176.870 -0.774 0.000 1.036 106 L CA -0.696 54.024 54.840 -0.199 0.000 0.807 106 L CB 1.379 43.367 42.059 -0.119 0.000 1.231 106 L HN 0.445 nan 8.230 nan 0.000 0.438 107 F N 1.844 121.671 119.950 -0.205 0.000 2.591 107 F HA 0.549 5.076 4.527 0.000 0.000 0.309 107 F C -0.209 175.486 175.800 -0.176 0.000 1.098 107 F CA -0.518 57.168 58.000 -0.524 0.000 0.937 107 F CB 1.846 40.596 39.000 -0.416 0.000 1.250 107 F HN 0.142 nan 8.300 nan 0.000 0.447 108 I N 2.466 123.056 120.570 0.034 0.000 2.404 108 I HA 0.382 4.552 4.170 0.000 0.000 0.293 108 I C -0.717 175.508 176.117 0.180 0.000 0.992 108 I CA -0.681 60.685 61.300 0.110 0.000 1.149 108 I CB 1.880 39.936 38.000 0.093 0.000 1.315 108 I HN 0.546 nan 8.210 nan 0.000 0.446 109 Q N 5.419 125.302 119.800 0.138 0.000 2.331 109 Q HA 0.451 4.791 4.340 0.000 0.000 0.267 109 Q C -1.036 175.037 176.000 0.121 0.000 1.006 109 Q CA -0.626 55.278 55.803 0.170 0.000 0.818 109 Q CB 2.042 30.929 28.738 0.249 0.000 1.276 109 Q HN 0.805 nan 8.270 nan 0.000 0.450 110 T N -0.114 114.529 114.554 0.148 0.000 2.895 110 T HA 0.195 4.545 4.350 0.000 0.000 0.283 110 T C 0.949 175.746 174.700 0.161 0.000 1.014 110 T CA -0.529 61.663 62.100 0.153 0.000 1.037 110 T CB 1.218 70.183 68.868 0.162 0.000 1.006 110 T HN 0.682 nan 8.240 nan 0.000 0.468 111 D N 2.108 122.604 120.400 0.160 0.000 2.092 111 D HA -0.129 4.511 4.640 0.000 0.000 0.193 111 D C 0.375 176.726 176.300 0.085 0.000 0.994 111 D CA 1.278 55.348 54.000 0.116 0.000 0.828 111 D CB 0.018 40.880 40.800 0.103 0.000 0.963 111 D HN 0.640 nan 8.370 nan 0.000 0.450 112 K N -1.373 119.045 120.400 0.029 0.000 2.306 112 K HA 0.592 4.913 4.320 0.000 0.000 0.236 112 K C 0.905 177.456 176.600 -0.081 0.000 1.013 112 K CA -0.450 55.755 56.287 -0.138 0.000 0.857 112 K CB 2.013 34.246 32.500 -0.444 0.000 1.214 112 K HN 0.061 nan 8.250 nan 0.000 0.449 113 G N 0.292 109.090 108.800 -0.003 0.000 2.887 113 G HA2 0.141 4.102 3.960 0.000 0.000 0.211 113 G HA3 0.141 4.102 3.960 0.000 0.000 0.211 113 G C 0.069 175.093 174.900 0.207 0.000 1.152 113 G CA 0.202 45.420 45.100 0.198 0.000 0.769 113 G HN 0.494 nan 8.290 nan 0.000 0.541 114 I N -0.532 120.003 120.570 -0.058 0.000 2.569 114 I HA 0.656 4.826 4.170 0.000 0.000 0.290 114 I C -1.735 174.256 176.117 -0.210 0.000 1.088 114 I CA -1.289 60.029 61.300 0.029 0.000 1.047 114 I CB 2.007 40.057 38.000 0.083 0.000 1.237 114 I HN -0.027 nan 8.210 nan 0.000 0.421 115 Y N 3.662 124.071 120.300 0.182 0.000 2.570 115 Y HA 0.524 5.074 4.550 0.000 0.000 0.345 115 Y C 0.179 176.136 175.900 0.094 0.000 1.014 115 Y CA -0.667 57.502 58.100 0.115 0.000 1.063 115 Y CB 2.349 40.861 38.460 0.087 0.000 1.272 115 Y HN 0.358 nan 8.280 nan 0.000 0.477 116 T N 3.802 118.495 114.554 0.232 0.000 2.875 116 T HA 0.352 4.702 4.350 0.000 0.000 0.284 116 T C -2.683 172.077 174.700 0.100 0.000 0.995 116 T CA -1.655 60.532 62.100 0.145 0.000 1.060 116 T CB 1.111 70.042 68.868 0.106 0.000 0.967 116 T HN 0.205 nan 8.240 nan 0.000 0.476 117 P HA 0.196 nan 4.420 nan 0.000 0.265 117 P C 0.876 178.181 177.300 0.007 0.000 1.187 117 P CA 0.789 63.905 63.100 0.026 0.000 0.766 117 P CB 0.191 31.916 31.700 0.040 0.000 0.820 118 G N 1.104 109.883 108.800 -0.034 0.000 2.160 118 G HA2 -0.148 3.812 3.960 0.000 0.000 0.244 118 G HA3 -0.148 3.812 3.960 0.000 0.000 0.244 118 G C 0.101 174.976 174.900 -0.040 0.000 1.022 118 G CA 0.214 45.288 45.100 -0.043 0.000 0.741 118 G HN 0.846 nan 8.290 nan 0.000 0.508 119 S N -0.679 114.994 115.700 -0.044 0.000 2.634 119 S HA 0.900 5.370 4.470 0.000 0.000 0.296 119 S C -2.848 171.695 174.600 -0.096 0.000 1.104 119 S CA -1.434 56.752 58.200 -0.023 0.000 0.920 119 S CB 3.507 66.749 63.200 0.069 0.000 1.111 119 S HN 0.246 nan 8.310 nan 0.000 0.493 120 P HA 0.300 nan 4.420 nan 0.000 0.280 120 P C -0.946 176.245 177.300 -0.182 0.000 1.244 120 P CA -0.448 62.573 63.100 -0.132 0.000 0.784 120 P CB 0.965 32.627 31.700 -0.063 0.000 0.913 121 V N 5.174 124.891 119.914 -0.327 0.000 2.318 121 V HA 0.188 4.308 4.120 0.000 0.000 0.271 121 V C 0.690 176.729 176.094 -0.091 0.000 1.030 121 V CA -0.459 61.543 62.300 -0.496 0.000 0.844 121 V CB 0.438 31.802 31.823 -0.765 0.000 1.015 121 V HN 0.386 nan 8.190 nan 0.000 0.460 122 L N 6.730 127.950 121.223 -0.005 0.000 2.350 122 L HA 0.598 4.938 4.340 0.000 0.000 0.275 122 L C -0.359 176.541 176.870 0.050 0.000 1.099 122 L CA -0.408 54.426 54.840 -0.010 0.000 0.808 122 L CB 0.708 42.757 42.059 -0.016 0.000 1.149 122 L HN 0.764 nan 8.230 nan 0.000 0.442 123 Y N 0.880 121.113 120.300 -0.111 0.000 2.609 123 Y HA 0.786 5.336 4.550 0.000 0.000 0.336 123 Y C -1.118 174.491 175.900 -0.484 0.000 1.129 123 Y CA -1.528 56.446 58.100 -0.210 0.000 1.040 123 Y CB 1.464 39.818 38.460 -0.176 0.000 1.310 123 Y HN 0.411 nan 8.280 nan 0.000 0.460 124 R N 1.171 121.429 120.500 -0.403 0.000 2.837 124 R HA 0.832 5.172 4.340 0.000 0.000 0.271 124 R C -1.809 173.991 176.300 -0.833 0.000 0.993 124 R CA -1.314 54.169 56.100 -1.029 0.000 0.931 124 R CB 2.827 32.675 30.300 -0.752 0.000 1.206 124 R HN 0.585 nan 8.270 nan 0.000 0.474 125 V N 2.450 121.731 119.914 -1.054 0.000 2.495 125 V HA 0.526 4.646 4.120 0.000 0.000 0.298 125 V C -1.029 174.859 176.094 -0.344 0.000 1.031 125 V CA -0.648 61.422 62.300 -0.384 0.000 0.871 125 V CB 1.409 33.206 31.823 -0.044 0.000 0.988 125 V HN 0.491 nan 8.190 nan 0.000 0.432 126 F N 1.808 121.806 119.950 0.079 0.000 2.492 126 F HA 0.690 5.217 4.527 0.000 0.000 0.327 126 F C 0.514 176.413 175.800 0.165 0.000 1.079 126 F CA -0.384 57.694 58.000 0.129 0.000 0.967 126 F CB 2.205 41.260 39.000 0.092 0.000 1.169 126 F HN 0.423 nan 8.300 nan 0.000 0.472 127 S N 2.350 118.285 115.700 0.392 0.000 2.513 127 S HA 0.404 4.874 4.470 0.000 0.000 0.299 127 S C 0.799 175.590 174.600 0.319 0.000 1.087 127 S CA -0.712 57.684 58.200 0.326 0.000 1.012 127 S CB 1.000 64.369 63.200 0.282 0.000 1.044 127 S HN 0.642 nan 8.310 nan 0.000 0.485 128 M N 2.182 121.979 119.600 0.328 0.000 2.296 128 M HA 0.088 4.568 4.480 0.000 0.000 0.265 128 M C -0.134 176.310 176.300 0.240 0.000 1.064 128 M CA 1.326 56.793 55.300 0.278 0.000 1.109 128 M CB -0.982 31.847 32.600 0.382 0.000 1.396 128 M HN 0.568 nan 8.290 nan 0.000 0.430 129 D N -1.761 118.783 120.400 0.240 0.000 2.654 129 D HA 0.511 5.151 4.640 0.000 0.000 0.255 129 D C -0.454 176.009 176.300 0.271 0.000 1.101 129 D CA -0.283 53.846 54.000 0.216 0.000 1.116 129 D CB 1.640 42.536 40.800 0.160 0.000 1.348 129 D HN 0.061 nan 8.370 nan 0.000 0.609 139 V N 2.950 122.828 119.914 -0.061 0.000 2.532 139 V HA 0.615 4.735 4.120 0.000 0.000 0.295 139 V C -0.626 175.425 176.094 -0.071 0.000 1.041 139 V CA -0.887 61.309 62.300 -0.174 0.000 0.926 139 V CB 1.545 33.247 31.823 -0.201 0.000 0.992 139 V HN 0.477 nan 8.190 nan 0.000 0.457 140 I N 4.388 124.900 120.570 -0.098 0.000 2.404 140 I HA 0.476 4.646 4.170 0.000 0.000 0.293 140 I C -0.288 175.804 176.117 -0.043 0.000 0.992 140 I CA -0.505 60.772 61.300 -0.039 0.000 1.149 140 I CB 1.731 39.703 38.000 -0.048 0.000 1.315 140 I HN 0.233 nan 8.210 nan 0.000 0.446 141 V N 6.552 126.472 119.914 0.010 0.000 2.487 141 V HA 0.410 4.530 4.120 0.000 0.000 0.298 141 V C -0.129 175.946 176.094 -0.032 0.000 1.028 141 V CA -0.626 61.645 62.300 -0.047 0.000 0.860 141 V CB 2.171 33.996 31.823 0.003 0.000 0.991 141 V HN 0.702 nan 8.190 nan 0.000 0.427 142 E N 3.632 123.745 120.200 -0.145 0.000 2.256 142 E HA 0.584 4.934 4.350 0.000 0.000 0.267 142 E C -1.719 174.750 176.600 -0.219 0.000 0.892 142 E CA -0.628 55.723 56.400 -0.082 0.000 0.775 142 E CB 2.764 32.414 29.700 -0.083 0.000 1.207 142 E HN 0.462 nan 8.360 nan 0.000 0.420 143 F N 1.460 121.298 119.950 -0.187 0.000 2.458 143 F HA 0.311 4.838 4.527 0.000 0.000 0.336 143 F C 0.179 175.874 175.800 -0.176 0.000 1.114 143 F CA -0.481 57.412 58.000 -0.179 0.000 0.987 143 F CB 1.778 40.570 39.000 -0.346 0.000 1.130 143 F HN 0.221 nan 8.300 nan 0.000 0.458 144 Q N 1.464 121.204 119.800 -0.101 0.000 2.340 144 Q HA 0.378 4.718 4.340 0.000 0.000 0.268 144 Q C -0.169 175.421 176.000 -0.683 0.000 1.031 144 Q CA -0.930 54.698 55.803 -0.293 0.000 0.804 144 Q CB 2.245 30.829 28.738 -0.257 0.000 1.286 144 Q HN 0.785 nan 8.270 nan 0.000 0.448 145 T N -0.902 113.114 114.554 -0.897 0.000 2.802 145 T HA 0.164 4.514 4.350 0.000 0.000 0.305 145 T C -1.874 172.314 174.700 -0.853 0.000 1.053 145 T CA -1.290 59.983 62.100 -1.379 0.000 1.058 145 T CB 0.466 68.855 68.868 -0.798 0.000 0.988 145 T HN 0.325 nan 8.240 nan 0.000 0.539 146 P HA 0.052 nan 4.420 nan 0.000 0.228 146 P C 0.609 177.769 177.300 -0.233 0.000 1.151 146 P CA 0.679 63.562 63.100 -0.361 0.000 0.770 146 P CB 0.009 31.596 31.700 -0.189 0.000 0.786 147 E N -1.391 118.662 120.200 -0.244 0.000 2.463 147 E HA 0.286 4.636 4.350 0.000 0.000 0.193 147 E C 1.373 177.880 176.600 -0.156 0.000 1.041 147 E CA 0.375 56.681 56.400 -0.157 0.000 0.879 147 E CB -0.748 28.880 29.700 -0.121 0.000 0.997 147 E HN 0.091 nan 8.360 nan 0.000 0.478 148 G N 0.710 109.386 108.800 -0.206 0.000 2.148 148 G HA2 -0.241 3.719 3.960 0.000 0.000 0.254 148 G HA3 -0.241 3.719 3.960 0.000 0.000 0.254 148 G C 0.105 174.909 174.900 -0.160 0.000 0.981 148 G CA -0.080 44.917 45.100 -0.172 0.000 0.670 148 G HN 0.199 nan 8.290 nan 0.000 0.528 149 I N 0.671 121.129 120.570 -0.187 0.000 2.395 149 I HA 0.398 4.568 4.170 0.000 0.000 0.289 149 I C 0.737 176.766 176.117 -0.146 0.000 1.023 149 I CA -1.109 60.107 61.300 -0.141 0.000 1.350 149 I CB 1.243 39.173 38.000 -0.118 0.000 1.409 149 I HN 0.111 nan 8.210 nan 0.000 0.507 150 L N 8.067 129.235 121.223 -0.091 0.000 2.361 150 L HA 0.165 4.505 4.340 0.000 0.000 0.278 150 L C 0.739 177.594 176.870 -0.024 0.000 1.113 150 L CA 0.340 55.142 54.840 -0.063 0.000 0.849 150 L CB 0.854 42.888 42.059 -0.043 0.000 1.155 150 L HN 0.532 nan 8.230 nan 0.000 0.452 151 V N 0.711 120.629 119.914 0.007 0.000 3.502 151 V HA 0.460 4.580 4.120 0.000 0.000 0.288 151 V C 0.356 176.502 176.094 0.087 0.000 1.461 151 V CA 0.370 62.711 62.300 0.067 0.000 1.029 151 V CB -0.052 31.856 31.823 0.142 0.000 0.843 151 V HN 0.724 nan 8.190 nan 0.000 0.438 152 S N -0.185 115.553 115.700 0.064 0.000 2.566 152 S HA 0.690 5.160 4.470 0.000 0.000 0.273 152 S C -1.111 173.547 174.600 0.096 0.000 1.157 152 S CA 0.084 58.325 58.200 0.067 0.000 0.938 152 S CB 1.998 65.164 63.200 -0.057 0.000 1.087 152 S HN 0.530 nan 8.310 nan 0.000 0.474 153 S N 3.567 119.314 115.700 0.078 0.000 2.677 153 S HA 0.679 5.149 4.470 0.000 0.000 0.283 153 S C -1.399 173.246 174.600 0.074 0.000 1.159 153 S CA -0.606 57.634 58.200 0.066 0.000 1.001 153 S CB 0.408 63.627 63.200 0.032 0.000 1.032 153 S HN 0.832 nan 8.310 nan 0.000 0.487 154 N N 1.263 120.023 118.700 0.099 0.000 2.264 154 N HA 0.375 5.115 4.740 0.000 0.000 0.288 154 N C -1.570 174.007 175.510 0.111 0.000 1.094 154 N CA -0.742 52.377 53.050 0.115 0.000 0.817 154 N CB 2.013 40.611 38.487 0.185 0.000 1.604 154 N HN 0.367 nan 8.380 nan 0.000 0.473 155 S N 1.113 116.870 115.700 0.095 0.000 2.439 155 S HA 0.335 4.805 4.470 0.000 0.000 0.282 155 S C 0.036 174.717 174.600 0.135 0.000 1.170 155 S CA -0.791 57.460 58.200 0.084 0.000 1.054 155 S CB 0.133 63.365 63.200 0.053 0.000 0.956 155 S HN 0.364 nan 8.310 nan 0.000 0.490 156 V N 0.991 120.990 119.914 0.141 0.000 2.630 156 V HA 0.604 4.724 4.120 0.000 0.000 0.305 156 V C -0.300 175.826 176.094 0.053 0.000 1.046 156 V CA -1.146 61.252 62.300 0.163 0.000 0.934 156 V CB 1.644 33.638 31.823 0.285 0.000 1.003 156 V HN 0.584 nan 8.190 nan 0.000 0.451 157 D N 2.083 122.472 120.400 -0.018 0.000 2.256 157 D HA 0.339 4.979 4.640 0.000 0.000 0.250 157 D C 0.891 177.030 176.300 -0.269 0.000 1.093 157 D CA -0.227 53.723 54.000 -0.084 0.000 0.882 157 D CB 1.509 42.279 40.800 -0.050 0.000 1.185 157 D HN 0.617 nan 8.370 nan 0.000 0.437 158 L N 2.694 123.847 121.223 -0.116 0.000 2.549 158 L HA -0.076 4.264 4.340 0.000 0.000 0.229 158 L C 0.241 177.041 176.870 -0.117 0.000 1.158 158 L CA 0.705 55.520 54.840 -0.043 0.000 0.842 158 L CB -0.430 41.701 42.059 0.119 0.000 0.952 158 L HN 0.424 nan 8.230 nan 0.000 0.452 159 N N -0.715 117.842 118.700 -0.238 0.000 2.433 159 N HA 0.222 4.962 4.740 0.000 0.000 0.270 159 N C -0.831 174.542 175.510 -0.228 0.000 1.354 159 N CA -0.240 52.713 53.050 -0.161 0.000 0.889 159 N CB 0.662 39.138 38.487 -0.020 0.000 1.285 159 N HN 0.094 nan 8.380 nan 0.000 0.503 160 F N 0.705 120.138 119.950 -0.863 0.000 2.775 160 F HA 0.437 4.964 4.527 0.000 0.000 0.339 160 F C -2.229 172.969 175.800 -1.003 0.000 1.159 160 F CA -1.039 56.529 58.000 -0.721 0.000 1.145 160 F CB 0.572 39.284 39.000 -0.480 0.000 1.408 160 F HN -0.152 nan 8.300 nan 0.000 0.597 161 F N 3.953 123.265 119.950 -1.063 0.000 2.563 161 F HA 0.553 5.080 4.527 0.000 0.000 0.316 161 F C -1.233 173.898 175.800 -1.116 0.000 1.076 161 F CA -0.995 56.490 58.000 -0.857 0.000 0.921 161 F CB 1.354 39.884 39.000 -0.782 0.000 1.209 161 F HN 0.312 nan 8.300 nan 0.000 0.462 162 W N 2.948 124.057 121.300 -0.319 0.000 2.331 162 W HA 0.519 5.180 4.660 0.000 0.000 0.306 162 W C -2.323 174.119 176.519 -0.128 0.000 1.162 162 W CA -1.933 55.284 57.345 -0.213 0.000 1.232 162 W CB -0.134 29.321 29.460 -0.009 0.000 1.235 162 W HN 0.151 nan 8.180 nan 0.000 0.479 163 P HA -0.117 nan 4.420 nan 0.000 0.266 163 P C -0.938 176.428 177.300 0.110 0.000 1.195 163 P CA -0.038 63.067 63.100 0.008 0.000 0.768 163 P CB 0.394 32.069 31.700 -0.041 0.000 0.838 164 Y N 2.874 123.143 120.300 -0.051 0.000 2.304 164 Y HA 0.279 4.829 4.550 0.000 0.000 0.328 164 Y C -0.031 175.719 175.900 -0.250 0.000 1.123 164 Y CA -0.440 57.493 58.100 -0.277 0.000 1.218 164 Y CB 0.551 38.541 38.460 -0.782 0.000 1.207 164 Y HN 0.344 nan 8.280 nan 0.000 0.495 165 N N 6.074 124.233 118.700 -0.900 0.000 2.476 165 N HA 0.382 5.122 4.740 0.000 0.000 0.257 165 N C -1.496 173.548 175.510 -0.778 0.000 0.970 165 N CA -0.571 52.100 53.050 -0.631 0.000 0.938 165 N CB 1.156 39.424 38.487 -0.365 0.000 1.144 165 N HN 0.483 nan 8.380 nan 0.000 0.500 166 L N 3.333 124.239 121.223 -0.529 0.000 2.410 166 L HA 0.338 4.678 4.340 0.000 0.000 0.273 166 L C -1.931 174.806 176.870 -0.221 0.000 1.152 166 L CA -1.656 52.957 54.840 -0.379 0.000 0.855 166 L CB 0.146 42.026 42.059 -0.297 0.000 1.129 166 L HN 0.257 nan 8.230 nan 0.000 0.463 167 P HA 0.050 nan 4.420 nan 0.000 0.272 167 P C -0.087 177.193 177.300 -0.034 0.000 1.230 167 P CA -0.339 62.720 63.100 -0.069 0.000 0.788 167 P CB 0.717 32.410 31.700 -0.013 0.000 0.949 168 D N 0.341 120.728 120.400 -0.021 0.000 2.178 168 D HA -0.071 4.569 4.640 0.000 0.000 0.201 168 D C 0.658 176.969 176.300 0.018 0.000 0.980 168 D CA 1.302 55.301 54.000 -0.002 0.000 0.842 168 D CB -0.104 40.696 40.800 -0.001 0.000 0.948 168 D HN 0.297 nan 8.370 nan 0.000 0.472 169 L N 1.180 122.418 121.223 0.025 0.000 2.657 169 L HA 0.219 4.559 4.340 0.000 0.000 0.239 169 L C 0.122 177.034 176.870 0.070 0.000 1.215 169 L CA -0.484 54.382 54.840 0.044 0.000 1.161 169 L CB 1.098 43.180 42.059 0.039 0.000 1.436 169 L HN -0.190 nan 8.230 nan 0.000 0.414 170 V N 0.321 120.284 119.914 0.082 0.000 3.170 170 V HA 0.311 4.431 4.120 0.000 0.000 0.309 170 V C 0.498 176.710 176.094 0.196 0.000 1.071 170 V CA -0.173 62.213 62.300 0.144 0.000 1.063 170 V CB 2.281 34.157 31.823 0.089 0.000 1.123 170 V HN 0.515 nan 8.190 nan 0.000 0.464 171 S N 3.121 119.018 115.700 0.327 0.000 2.475 171 S HA 0.547 5.017 4.470 0.000 0.000 0.281 171 S C -0.531 174.293 174.600 0.373 0.000 1.198 171 S CA -0.658 57.716 58.200 0.290 0.000 1.063 171 S CB -0.000 63.339 63.200 0.232 0.000 0.972 171 S HN 0.512 nan 8.310 nan 0.000 0.486 172 L N 4.532 125.892 121.223 0.228 0.000 2.439 172 L HA 0.780 5.120 4.340 0.000 0.000 0.261 172 L C 1.121 178.107 176.870 0.195 0.000 1.153 172 L CA -0.085 54.880 54.840 0.208 0.000 0.808 172 L CB 0.540 42.676 42.059 0.128 0.000 1.126 172 L HN 0.954 nan 8.230 nan 0.000 0.460 173 G N 0.572 109.486 108.800 0.190 0.000 2.316 173 G HA2 -0.078 3.882 3.960 0.000 0.000 0.349 173 G HA3 -0.078 3.882 3.960 0.000 0.000 0.349 173 G C -0.903 174.110 174.900 0.189 0.000 1.274 173 G CA -0.876 44.307 45.100 0.138 0.000 1.018 173 G HN 0.470 nan 8.290 nan 0.000 0.486 174 T N 1.094 115.708 114.554 0.100 0.000 2.743 174 T HA 0.519 4.869 4.350 0.000 0.000 0.293 174 T C -0.631 174.057 174.700 -0.019 0.000 0.945 174 T CA 0.294 62.434 62.100 0.066 0.000 1.030 174 T CB 0.475 69.374 68.868 0.051 0.000 0.912 174 T HN 0.437 nan 8.240 nan 0.000 0.483 175 W N 2.536 123.540 121.300 -0.495 0.000 2.436 175 W HA 0.558 5.218 4.660 0.000 0.000 0.347 175 W C 0.659 176.792 176.519 -0.644 0.000 1.136 175 W CA -1.011 55.929 57.345 -0.676 0.000 1.286 175 W CB 0.779 29.501 29.460 -1.230 0.000 1.253 175 W HN 0.302 nan 8.180 nan 0.000 0.617 176 R N 2.399 122.734 120.500 -0.276 0.000 2.494 176 R HA 0.550 4.890 4.340 0.000 0.000 0.305 176 R C -0.911 175.202 176.300 -0.312 0.000 0.959 176 R CA -0.943 54.946 56.100 -0.351 0.000 0.864 176 R CB 1.626 31.701 30.300 -0.374 0.000 1.159 176 R HN 0.380 nan 8.270 nan 0.000 0.446 177 I N 3.529 123.864 120.570 -0.390 0.000 2.339 177 I HA 0.282 4.453 4.170 0.000 0.000 0.290 177 I C -0.338 175.480 176.117 -0.499 0.000 0.994 177 I CA -0.905 60.019 61.300 -0.627 0.000 1.191 177 I CB 1.866 39.437 38.000 -0.716 0.000 1.343 177 I HN 0.179 nan 8.210 nan 0.000 0.458 178 V N 5.839 125.483 119.914 -0.451 0.000 2.417 178 V HA 0.640 4.760 4.120 0.000 0.000 0.291 178 V C 0.194 176.143 176.094 -0.241 0.000 1.024 178 V CA -0.521 61.596 62.300 -0.304 0.000 0.861 178 V CB 1.580 33.260 31.823 -0.239 0.000 0.985 178 V HN 0.826 nan 8.190 nan 0.000 0.436 179 A N 6.028 128.749 122.820 -0.165 0.000 2.318 179 A HA 0.901 5.221 4.320 0.000 0.000 0.317 179 A C -0.361 177.157 177.584 -0.110 0.000 1.159 179 A CA -0.652 51.305 52.037 -0.133 0.000 0.799 179 A CB 1.020 19.956 19.000 -0.108 0.000 1.194 179 A HN 0.877 nan 8.150 nan 0.000 0.479 180 K N 1.590 121.908 120.400 -0.137 0.000 2.536 180 K HA 0.539 4.860 4.320 0.000 0.000 0.269 180 K C -1.865 174.634 176.600 -0.169 0.000 0.965 180 K CA -0.740 55.491 56.287 -0.093 0.000 0.860 180 K CB 1.112 33.591 32.500 -0.035 0.000 1.423 180 K HN 0.442 nan 8.250 nan 0.000 0.438 181 Y N 1.615 121.905 120.300 -0.018 0.000 2.308 181 Y HA 0.096 4.646 4.550 0.000 0.000 0.329 181 Y C 0.521 176.367 175.900 -0.091 0.000 1.111 181 Y CA -0.324 57.757 58.100 -0.032 0.000 1.179 181 Y CB 1.250 39.715 38.460 0.007 0.000 1.201 181 Y HN 0.594 nan 8.280 nan 0.000 0.483 182 E N 2.943 123.115 120.200 -0.047 0.000 2.415 182 E HA -0.010 4.340 4.350 0.000 0.000 0.263 182 E C -0.577 175.751 176.600 -0.452 0.000 0.995 182 E CA 0.101 56.341 56.400 -0.267 0.000 0.915 182 E CB 0.210 29.673 29.700 -0.395 0.000 0.951 182 E HN 0.872 nan 8.360 nan 0.000 0.449 183 H N -0.493 118.476 119.070 -0.168 0.000 4.219 183 H HA -0.183 4.373 4.556 0.000 0.000 0.125 183 H C 0.028 175.188 175.328 -0.279 0.000 0.676 183 H CA 0.997 56.836 56.048 -0.347 0.000 1.235 183 H CB -1.742 27.557 29.762 -0.772 0.000 0.642 183 H HN 0.565 nan 8.280 nan 0.000 0.599 184 S N 3.173 118.870 115.700 -0.005 0.000 2.448 184 S HA 0.309 4.779 4.470 0.000 0.000 0.279 184 S C -1.500 173.142 174.600 0.071 0.000 1.195 184 S CA -0.889 57.371 58.200 0.100 0.000 1.051 184 S CB 1.221 64.536 63.200 0.192 0.000 0.948 184 S HN 0.040 nan 8.310 nan 0.000 0.493 185 P HA 0.114 nan 4.420 nan 0.000 0.242 185 P C -0.453 176.879 177.300 0.054 0.000 1.197 185 P CA 0.473 63.602 63.100 0.049 0.000 0.765 185 P CB 0.140 31.870 31.700 0.049 0.000 0.936 186 E N 0.647 120.896 120.200 0.081 0.000 2.231 186 E HA 0.409 4.759 4.350 0.000 0.000 0.277 186 E C -0.091 176.553 176.600 0.073 0.000 0.999 186 E CA -0.410 56.039 56.400 0.082 0.000 0.827 186 E CB 0.461 30.228 29.700 0.111 0.000 1.101 186 E HN 0.139 nan 8.360 nan 0.000 0.393 187 N N 0.858 119.586 118.700 0.046 0.000 2.367 187 N HA 0.207 4.947 4.740 0.000 0.000 0.278 187 N C -1.862 173.654 175.510 0.010 0.000 1.117 187 N CA -0.836 52.222 53.050 0.014 0.000 0.867 187 N CB 0.435 38.898 38.487 -0.040 0.000 1.649 187 N HN 0.374 nan 8.380 nan 0.000 0.479 188 Y N 0.720 120.952 120.300 -0.112 0.000 2.320 188 Y HA 0.632 5.182 4.550 0.000 0.000 0.324 188 Y C -0.634 175.165 175.900 -0.170 0.000 1.190 188 Y CA 0.187 58.200 58.100 -0.146 0.000 1.215 188 Y CB 1.570 39.887 38.460 -0.239 0.000 1.221 188 Y HN 0.631 nan 8.280 nan 0.000 0.486 189 T N 5.322 119.326 114.554 -0.917 0.000 2.949 189 T HA 0.664 5.015 4.350 0.000 0.000 0.300 189 T C -1.013 173.186 174.700 -0.834 0.000 0.988 189 T CA -0.559 61.111 62.100 -0.715 0.000 0.993 189 T CB 0.683 69.183 68.868 -0.614 0.000 0.984 189 T HN 0.810 nan 8.240 nan 0.000 0.442 190 A N 3.305 125.812 122.820 -0.522 0.000 2.295 190 A HA 0.890 5.210 4.320 0.000 0.000 0.318 190 A C -1.297 175.958 177.584 -0.548 0.000 1.134 190 A CA -0.571 51.286 52.037 -0.301 0.000 0.827 190 A CB 0.642 19.648 19.000 0.011 0.000 1.136 190 A HN 0.800 nan 8.150 nan 0.000 0.493 191 Y N -0.435 119.750 120.300 -0.191 0.000 2.549 191 Y HA 0.681 5.231 4.550 0.000 0.000 0.339 191 Y C -0.332 175.376 175.900 -0.319 0.000 1.053 191 Y CA -0.639 57.193 58.100 -0.447 0.000 1.105 191 Y CB 1.949 39.866 38.460 -0.905 0.000 1.258 191 Y HN 0.734 nan 8.280 nan 0.000 0.478 192 F N -1.344 118.500 119.950 -0.177 0.000 2.672 192 F HA 0.553 5.080 4.527 0.000 0.000 0.311 192 F C -1.820 174.087 175.800 0.179 0.000 1.113 192 F CA -1.263 56.762 58.000 0.042 0.000 0.996 192 F CB 1.182 40.343 39.000 0.267 0.000 1.286 192 F HN 0.232 nan 8.300 nan 0.000 0.441 193 D N 2.394 122.998 120.400 0.341 0.000 2.210 193 D HA 0.509 5.149 4.640 0.000 0.000 0.249 193 D C -0.647 175.834 176.300 0.300 0.000 1.062 193 D CA -0.252 53.898 54.000 0.251 0.000 0.891 193 D CB 2.466 43.407 40.800 0.234 0.000 1.186 193 D HN 0.474 nan 8.370 nan 0.000 0.432 194 V N 3.984 124.019 119.914 0.201 0.000 2.293 194 V HA 0.405 4.525 4.120 0.000 0.000 0.275 194 V C 0.122 176.305 176.094 0.148 0.000 1.021 194 V CA -0.716 61.686 62.300 0.170 0.000 0.815 194 V CB 0.552 32.388 31.823 0.021 0.000 1.025 194 V HN 0.292 nan 8.190 nan 0.000 0.448 195 R N 3.026 123.612 120.500 0.142 0.000 2.750 195 R HA 0.513 4.853 4.340 0.000 0.000 0.281 195 R C -0.636 175.757 176.300 0.155 0.000 0.972 195 R CA -0.952 55.217 56.100 0.115 0.000 0.912 195 R CB 2.283 32.605 30.300 0.037 0.000 1.187 195 R HN 0.515 nan 8.270 nan 0.000 0.464 196 K N 2.268 122.752 120.400 0.141 0.000 2.278 196 K HA 0.150 4.470 4.320 0.000 0.000 0.289 196 K C -1.010 175.726 176.600 0.227 0.000 1.080 196 K CA 0.277 56.652 56.287 0.147 0.000 0.934 196 K CB 0.159 32.722 32.500 0.105 0.000 1.093 196 K HN 0.400 nan 8.250 nan 0.000 0.459 197 Y N 1.332 121.654 120.300 0.037 0.000 2.480 197 Y HA 0.222 4.772 4.550 0.000 0.000 0.329 197 Y C -1.175 174.739 175.900 0.024 0.000 1.127 197 Y CA -1.366 56.751 58.100 0.029 0.000 1.037 197 Y CB 1.210 39.688 38.460 0.030 0.000 1.320 197 Y HN 0.220 nan 8.280 nan 0.000 0.446 198 V N 4.294 123.936 119.914 -0.454 0.000 2.427 198 V HA 0.546 4.666 4.120 0.000 0.000 0.286 198 V C -0.231 175.504 176.094 -0.599 0.000 1.034 198 V CA -0.997 61.079 62.300 -0.374 0.000 0.893 198 V CB 1.156 32.850 31.823 -0.215 0.000 0.982 198 V HN 0.719 nan 8.190 nan 0.000 0.452 199 L N 6.047 127.087 121.223 -0.305 0.000 2.462 199 L HA 0.333 4.673 4.340 0.000 0.000 0.272 199 L C -1.824 174.946 176.870 -0.167 0.000 1.166 199 L CA -1.108 53.606 54.840 -0.211 0.000 0.880 199 L CB 0.128 42.152 42.059 -0.058 0.000 1.142 199 L HN 0.508 nan 8.230 nan 0.000 0.473 200 P HA 0.091 nan 4.420 nan 0.000 0.274 200 P C 0.301 177.591 177.300 -0.016 0.000 1.246 200 P CA -0.493 62.533 63.100 -0.122 0.000 0.795 200 P CB 0.734 32.285 31.700 -0.248 0.000 1.006 201 S N -0.252 115.530 115.700 0.137 0.000 2.593 201 S HA 0.193 4.663 4.470 0.000 0.000 0.217 201 S C 0.255 175.092 174.600 0.395 0.000 0.966 201 S CA -0.189 58.173 58.200 0.271 0.000 0.914 201 S CB -1.056 62.347 63.200 0.337 0.000 0.776 201 S HN 0.513 nan 8.310 nan 0.000 0.523 202 F N -0.580 119.411 119.950 0.069 0.000 2.645 202 F HA 0.743 5.270 4.527 0.000 0.000 0.310 202 F C -0.831 174.949 175.800 -0.034 0.000 1.102 202 F CA -1.292 56.697 58.000 -0.018 0.000 0.952 202 F CB 1.095 39.996 39.000 -0.166 0.000 1.326 202 F HN -0.008 nan 8.300 nan 0.000 0.456 203 E N 1.752 121.949 120.200 -0.005 0.000 2.242 203 E HA 0.619 4.969 4.350 0.000 0.000 0.275 203 E C -1.807 174.780 176.600 -0.022 0.000 1.002 203 E CA -0.891 55.464 56.400 -0.075 0.000 0.841 203 E CB 2.096 31.788 29.700 -0.013 0.000 1.109 203 E HN 0.663 nan 8.360 nan 0.000 0.394 204 V N 4.999 124.871 119.914 -0.071 0.000 2.376 204 V HA 0.378 4.498 4.120 0.000 0.000 0.287 204 V C -0.334 175.746 176.094 -0.023 0.000 1.015 204 V CA -0.629 61.664 62.300 -0.011 0.000 0.834 204 V CB 1.333 33.152 31.823 -0.007 0.000 1.001 204 V HN 0.676 nan 8.190 nan 0.000 0.428 205 R N 4.789 125.282 120.500 -0.011 0.000 2.407 205 R HA 0.743 5.083 4.340 0.000 0.000 0.303 205 R C -1.076 175.215 176.300 -0.016 0.000 0.981 205 R CA -0.513 55.577 56.100 -0.018 0.000 0.905 205 R CB 1.555 31.846 30.300 -0.014 0.000 1.099 205 R HN 0.562 nan 8.270 nan 0.000 0.459 206 L N 2.514 123.727 121.223 -0.017 0.000 2.341 206 L HA 0.426 4.766 4.340 0.000 0.000 0.278 206 L C -0.588 176.275 176.870 -0.012 0.000 1.005 206 L CA -0.922 53.910 54.840 -0.014 0.000 0.818 206 L CB 1.952 44.006 42.059 -0.008 0.000 1.259 206 L HN 0.468 nan 8.230 nan 0.000 0.418 207 Q N 4.701 124.488 119.800 -0.021 0.000 2.303 207 Q HA 0.472 4.812 4.340 0.000 0.000 0.267 207 Q C -2.671 173.294 176.000 -0.059 0.000 1.011 207 Q CA -1.521 54.264 55.803 -0.028 0.000 0.740 207 Q CB 2.411 31.129 28.738 -0.032 0.000 1.250 207 Q HN 0.194 nan 8.270 nan 0.000 0.458 208 P HA 0.116 nan 4.420 nan 0.000 0.277 208 P C 0.141 177.312 177.300 -0.215 0.000 1.240 208 P CA -0.207 62.799 63.100 -0.156 0.000 0.798 208 P CB 1.392 33.120 31.700 0.047 0.000 0.979 209 S N 0.831 116.280 115.700 -0.419 0.000 2.348 209 S HA -0.079 4.391 4.470 0.000 0.000 0.221 209 S C 0.601 175.080 174.600 -0.202 0.000 1.033 209 S CA 1.109 59.147 58.200 -0.270 0.000 1.010 209 S CB -0.479 62.535 63.200 -0.310 0.000 0.891 209 S HN 0.422 nan 8.310 nan 0.000 0.442 210 E N 0.061 120.138 120.200 -0.205 0.000 2.299 210 E HA 0.449 4.799 4.350 0.000 0.000 0.265 210 E C -0.395 176.124 176.600 -0.136 0.000 0.911 210 E CA -0.704 55.541 56.400 -0.260 0.000 0.789 210 E CB 1.691 31.063 29.700 -0.547 0.000 1.246 210 E HN 0.047 nan 8.360 nan 0.000 0.427 211 K N 0.794 121.084 120.400 -0.183 0.000 2.525 211 K HA 0.088 4.408 4.320 0.000 0.000 0.192 211 K C -0.327 176.360 176.600 0.144 0.000 1.029 211 K CA 0.410 56.725 56.287 0.047 0.000 1.029 211 K CB -0.346 32.237 32.500 0.138 0.000 0.814 211 K HN 0.389 nan 8.250 nan 0.000 0.503 212 F N -4.130 115.812 119.950 -0.013 0.000 2.831 212 F HA 0.535 5.062 4.527 0.000 0.000 0.318 212 F C -1.455 174.295 175.800 -0.084 0.000 1.174 212 F CA -1.904 56.044 58.000 -0.088 0.000 0.918 212 F CB 0.766 39.640 39.000 -0.210 0.000 1.364 212 F HN -0.247 nan 8.300 nan 0.000 0.475 213 F N 1.824 121.711 119.950 -0.106 0.000 2.617 213 F HA 0.540 5.067 4.527 0.000 0.000 0.325 213 F C -1.525 174.211 175.800 -0.107 0.000 1.179 213 F CA -1.606 56.228 58.000 -0.276 0.000 0.965 213 F CB 0.975 39.687 39.000 -0.480 0.000 1.232 213 F HN 0.431 nan 8.300 nan 0.000 0.461 214 Y N 6.838 126.974 120.300 -0.273 0.000 2.677 214 Y HA 0.046 4.596 4.550 0.000 0.000 0.335 214 Y C 1.736 177.364 175.900 -0.454 0.000 1.162 214 Y CA 0.395 58.338 58.100 -0.262 0.000 1.483 214 Y CB 0.257 38.602 38.460 -0.192 0.000 1.209 214 Y HN 0.714 nan 8.280 nan 0.000 0.528 215 I N 2.051 122.585 120.570 -0.059 0.000 2.315 215 I HA -0.322 3.848 4.170 0.000 0.000 0.251 215 I C 0.796 176.890 176.117 -0.038 0.000 1.125 215 I CA 2.039 63.315 61.300 -0.040 0.000 1.392 215 I CB 0.145 38.163 38.000 0.029 0.000 1.065 215 I HN 0.743 nan 8.210 nan 0.000 0.424 216 D N -0.700 119.671 120.400 -0.049 0.000 2.623 216 D HA 0.230 4.870 4.640 0.000 0.000 0.252 216 D C 0.488 176.734 176.300 -0.089 0.000 1.294 216 D CA -0.187 53.786 54.000 -0.045 0.000 0.824 216 D CB -0.268 40.511 40.800 -0.037 0.000 1.070 216 D HN 0.224 nan 8.370 nan 0.000 0.487 217 G N -0.247 108.473 108.800 -0.133 0.000 2.525 217 G HA2 0.212 4.172 3.960 0.000 0.000 0.287 217 G HA3 0.212 4.172 3.960 0.000 0.000 0.287 217 G C 0.601 175.438 174.900 -0.106 0.000 1.350 217 G CA -0.608 44.417 45.100 -0.126 0.000 1.039 217 G HN 0.065 nan 8.290 nan 0.000 0.513 218 N N -0.706 117.953 118.700 -0.068 0.000 2.210 218 N HA 0.054 4.794 4.740 0.000 0.000 0.203 218 N C 0.508 176.009 175.510 -0.014 0.000 1.175 218 N CA -0.041 52.989 53.050 -0.033 0.000 0.894 218 N CB 0.641 39.114 38.487 -0.023 0.000 1.041 218 N HN 0.730 nan 8.380 nan 0.000 0.506 219 E N 1.286 121.479 120.200 -0.012 0.000 2.349 219 E HA 0.141 4.491 4.350 0.000 0.000 0.262 219 E C -0.338 176.282 176.600 0.033 0.000 1.088 219 E CA -0.217 56.193 56.400 0.015 0.000 0.899 219 E CB 0.921 30.644 29.700 0.039 0.000 1.044 219 E HN -0.094 nan 8.360 nan 0.000 0.420 220 N N 0.580 119.281 118.700 0.002 0.000 2.364 220 N HA 0.333 5.073 4.740 0.000 0.000 0.264 220 N C -1.040 174.388 175.510 -0.137 0.000 1.263 220 N CA -0.261 52.762 53.050 -0.045 0.000 0.959 220 N CB 0.171 38.606 38.487 -0.088 0.000 1.204 220 N HN 0.483 nan 8.380 nan 0.000 0.550 221 F N 0.733 120.399 119.950 -0.474 0.000 2.536 221 F HA 0.310 4.837 4.527 0.000 0.000 0.322 221 F C -0.683 174.800 175.800 -0.527 0.000 1.144 221 F CA -0.626 57.040 58.000 -0.556 0.000 0.924 221 F CB 0.745 39.372 39.000 -0.622 0.000 1.181 221 F HN 0.335 nan 8.300 nan 0.000 0.438 222 H N 4.870 123.529 119.070 -0.684 0.000 2.499 222 H HA 0.671 5.227 4.556 0.000 0.000 0.340 222 H C -0.984 173.995 175.328 -0.581 0.000 1.148 222 H CA -0.990 54.791 56.048 -0.445 0.000 1.215 222 H CB 2.118 31.714 29.762 -0.276 0.000 1.529 222 H HN 0.353 nan 8.280 nan 0.000 0.510 223 V N 2.323 122.177 119.914 -0.100 0.000 2.380 223 V HA 0.119 4.240 4.120 0.000 0.000 0.286 223 V C 0.279 176.351 176.094 -0.038 0.000 1.015 223 V CA -0.634 61.617 62.300 -0.083 0.000 0.834 223 V CB 1.340 33.186 31.823 0.039 0.000 1.009 223 V HN 0.727 nan 8.190 nan 0.000 0.428 224 S N 5.575 121.239 115.700 -0.061 0.000 2.565 224 S HA 0.622 5.092 4.470 0.000 0.000 0.276 224 S C -0.148 174.431 174.600 -0.036 0.000 1.326 224 S CA -0.145 58.025 58.200 -0.049 0.000 1.045 224 S CB 0.511 63.676 63.200 -0.057 0.000 0.918 224 S HN 0.531 nan 8.310 nan 0.000 0.505 225 I N 2.544 123.094 120.570 -0.033 0.000 2.509 225 I HA 0.389 4.559 4.170 0.000 0.000 0.293 225 I C -0.381 175.719 176.117 -0.028 0.000 1.020 225 I CA -0.491 60.793 61.300 -0.026 0.000 1.088 225 I CB 2.272 40.258 38.000 -0.023 0.000 1.267 225 I HN 0.450 nan 8.210 nan 0.000 0.430 226 T N 4.183 118.726 114.554 -0.019 0.000 2.881 226 T HA 0.730 5.080 4.350 0.000 0.000 0.290 226 T C -0.613 174.083 174.700 -0.006 0.000 1.000 226 T CA -0.682 61.404 62.100 -0.023 0.000 0.978 226 T CB 1.892 70.747 68.868 -0.022 0.000 0.997 226 T HN 0.670 nan 8.240 nan 0.000 0.443 227 A N 3.551 126.355 122.820 -0.026 0.000 2.343 227 A HA 0.825 5.145 4.320 0.000 0.000 0.308 227 A C -0.380 177.146 177.584 -0.097 0.000 1.092 227 A CA -0.922 51.119 52.037 0.006 0.000 0.751 227 A CB 1.067 20.061 19.000 -0.010 0.000 1.203 227 A HN 0.737 nan 8.150 nan 0.000 0.452 228 R N 1.573 122.044 120.500 -0.048 0.000 2.628 228 R HA 0.384 4.724 4.340 0.000 0.000 0.288 228 R C -1.477 174.750 176.300 -0.122 0.000 0.980 228 R CA -0.657 55.361 56.100 -0.137 0.000 0.891 228 R CB 1.605 31.866 30.300 -0.065 0.000 1.188 228 R HN 0.720 nan 8.270 nan 0.000 0.450 229 Y N 1.891 122.079 120.300 -0.186 0.000 2.683 229 Y HA -0.078 4.472 4.550 0.000 0.000 0.340 229 Y C 1.872 177.538 175.900 -0.390 0.000 1.245 229 Y CA 0.286 58.170 58.100 -0.360 0.000 1.485 229 Y CB 0.428 38.338 38.460 -0.916 0.000 1.328 229 Y HN 0.523 nan 8.280 nan 0.000 0.603 230 L N 2.213 123.406 121.223 -0.050 0.000 2.549 230 L HA -0.208 4.132 4.340 0.000 0.000 0.229 230 L C 1.056 177.955 176.870 0.049 0.000 1.158 230 L CA 0.805 55.659 54.840 0.024 0.000 0.842 230 L CB -0.521 41.599 42.059 0.102 0.000 0.952 230 L HN 0.810 nan 8.230 nan 0.000 0.452 231 Y N -2.991 117.389 120.300 0.134 0.000 2.457 231 Y HA 0.550 5.100 4.550 0.000 0.000 0.263 231 Y C 1.513 177.463 175.900 0.084 0.000 1.164 231 Y CA 0.057 58.207 58.100 0.084 0.000 1.274 231 Y CB -0.056 38.436 38.460 0.052 0.000 1.097 231 Y HN -0.006 nan 8.280 nan 0.000 0.523 232 G N -0.534 108.253 108.800 -0.021 0.000 2.909 232 G HA2 -0.189 3.771 3.960 0.000 0.000 0.198 232 G HA3 -0.189 3.771 3.960 0.000 0.000 0.198 232 G C 0.072 174.982 174.900 0.016 0.000 1.124 232 G CA -0.262 44.862 45.100 0.040 0.000 0.796 232 G HN 0.172 nan 8.290 nan 0.000 0.489 233 E N 1.685 121.919 120.200 0.056 0.000 2.410 233 E HA 0.438 4.788 4.350 0.000 0.000 0.255 233 E C 0.090 176.718 176.600 0.046 0.000 1.194 233 E CA -0.018 56.446 56.400 0.108 0.000 0.955 233 E CB 0.516 30.361 29.700 0.243 0.000 0.988 233 E HN 0.640 nan 8.360 nan 0.000 0.461 234 E N 0.246 120.465 120.200 0.031 0.000 2.259 234 E HA 0.233 4.583 4.350 0.000 0.000 0.281 234 E C -0.518 175.966 176.600 -0.194 0.000 1.027 234 E CA -0.453 55.898 56.400 -0.083 0.000 0.838 234 E CB 1.287 30.955 29.700 -0.054 0.000 1.066 234 E HN 0.101 nan 8.360 nan 0.000 0.401 235 V N 2.798 122.430 119.914 -0.470 0.000 2.811 235 V HA 0.067 4.187 4.120 0.000 0.000 0.302 235 V C 0.211 176.091 176.094 -0.357 0.000 1.063 235 V CA 0.135 61.998 62.300 -0.728 0.000 1.088 235 V CB 1.017 32.248 31.823 -0.987 0.000 0.982 235 V HN 0.722 nan 8.190 nan 0.000 0.485 236 E N 1.905 121.942 120.200 -0.271 0.000 2.218 236 E HA 0.641 4.991 4.350 0.000 0.000 0.263 236 E C 0.027 176.533 176.600 -0.157 0.000 0.879 236 E CA 0.131 56.435 56.400 -0.159 0.000 0.762 236 E CB 1.593 31.250 29.700 -0.072 0.000 1.166 236 E HN 0.836 nan 8.360 nan 0.000 0.415 237 G N 2.047 110.760 108.800 -0.146 0.000 2.818 237 G HA2 0.394 4.355 3.960 0.000 0.000 0.109 237 G HA3 0.394 4.355 3.960 0.000 0.000 0.109 237 G C -1.326 173.511 174.900 -0.104 0.000 1.206 237 G CA 0.007 45.037 45.100 -0.116 0.000 1.243 237 G HN 0.459 nan 8.290 nan 0.000 0.609 238 V N 0.294 120.147 119.914 -0.102 0.000 2.932 238 V HA 0.784 4.904 4.120 0.000 0.000 0.307 238 V C -0.441 175.552 176.094 -0.170 0.000 1.147 238 V CA -0.129 62.075 62.300 -0.160 0.000 0.951 238 V CB 1.575 33.288 31.823 -0.183 0.000 1.031 238 V HN 1.604 nan 8.190 nan 0.000 0.426 239 A N 3.405 126.071 122.820 -0.258 0.000 2.365 239 A HA 0.959 5.279 4.320 0.000 0.000 0.318 239 A C -1.463 175.906 177.584 -0.358 0.000 1.091 239 A CA -0.381 51.553 52.037 -0.173 0.000 0.763 239 A CB 1.153 20.109 19.000 -0.074 0.000 1.248 239 A HN 0.617 nan 8.150 nan 0.000 0.442 240 F N 1.459 121.413 119.950 0.007 0.000 2.426 240 F HA 0.534 5.061 4.527 0.000 0.000 0.348 240 F C -0.046 175.738 175.800 -0.026 0.000 1.124 240 F CA -0.537 57.464 58.000 0.002 0.000 1.008 240 F CB 2.267 41.273 39.000 0.009 0.000 1.139 240 F HN 0.275 nan 8.300 nan 0.000 0.452 241 V N 4.995 124.971 119.914 0.103 0.000 2.495 241 V HA 0.532 4.652 4.120 0.000 0.000 0.298 241 V C -0.939 175.119 176.094 -0.059 0.000 1.031 241 V CA -0.759 61.511 62.300 -0.050 0.000 0.871 241 V CB 1.905 33.639 31.823 -0.148 0.000 0.988 241 V HN 0.543 nan 8.190 nan 0.000 0.432 242 L N 5.420 126.559 121.223 -0.140 0.000 2.376 242 L HA 0.721 5.061 4.340 0.000 0.000 0.275 242 L C -1.082 175.686 176.870 -0.171 0.000 0.987 242 L CA 0.097 54.911 54.840 -0.045 0.000 0.828 242 L CB 1.310 43.403 42.059 0.056 0.000 1.249 242 L HN 0.441 nan 8.230 nan 0.000 0.409 243 F N 3.060 122.997 119.950 -0.021 0.000 2.380 243 F HA 0.892 5.419 4.527 0.000 0.000 0.321 243 F C 1.161 176.737 175.800 -0.373 0.000 1.103 243 F CA 0.437 58.324 58.000 -0.190 0.000 1.067 243 F CB 1.872 40.802 39.000 -0.117 0.000 1.265 243 F HN 0.648 nan 8.300 nan 0.000 0.517 244 G N -0.265 108.116 108.800 -0.698 0.000 2.550 244 G HA2 0.534 4.494 3.960 0.000 0.000 0.293 244 G HA3 0.534 4.494 3.960 0.000 0.000 0.293 244 G C -2.409 172.100 174.900 -0.651 0.000 1.402 244 G CA -0.687 43.985 45.100 -0.713 0.000 0.784 244 G HN 0.479 nan 8.290 nan 0.000 0.482 245 V N 0.594 120.427 119.914 -0.136 0.000 2.448 245 V HA 0.521 4.641 4.120 0.000 0.000 0.295 245 V C -0.055 176.101 176.094 0.103 0.000 1.025 245 V CA -0.795 61.463 62.300 -0.070 0.000 0.859 245 V CB 1.676 33.293 31.823 -0.343 0.000 0.988 245 V HN 0.691 nan 8.190 nan 0.000 0.431 246 K N 5.512 125.994 120.400 0.136 0.000 2.268 246 K HA 0.530 4.850 4.320 0.000 0.000 0.276 246 K C -0.797 175.732 176.600 -0.119 0.000 1.080 246 K CA -0.363 55.965 56.287 0.067 0.000 0.910 246 K CB 0.485 33.033 32.500 0.080 0.000 1.163 246 K HN 0.628 nan 8.250 nan 0.000 0.465 247 I N 6.162 126.582 120.570 -0.251 0.000 2.310 247 I HA 0.043 4.213 4.170 0.000 0.000 0.287 247 I C -0.125 175.863 176.117 -0.214 0.000 1.073 247 I CA -0.255 60.718 61.300 -0.545 0.000 1.216 247 I CB 0.486 38.069 38.000 -0.695 0.000 1.415 247 I HN 0.880 nan 8.210 nan 0.000 0.480 248 D N 3.449 123.805 120.400 -0.074 0.000 4.600 248 D HA -0.291 4.349 4.640 0.000 0.000 0.165 248 D C 0.714 176.992 176.300 -0.038 0.000 0.731 248 D CA 1.522 55.513 54.000 -0.015 0.000 1.594 248 D CB -0.475 40.319 40.800 -0.010 0.000 0.978 248 D HN 0.583 nan 8.370 nan 0.000 0.494 249 D N 0.427 120.797 120.400 -0.050 0.000 2.490 249 D HA 0.376 5.016 4.640 0.000 0.000 0.246 249 D C -0.420 175.840 176.300 -0.067 0.000 1.196 249 D CA 0.696 54.659 54.000 -0.062 0.000 0.812 249 D CB 0.612 41.379 40.800 -0.054 0.000 1.191 249 D HN 0.444 nan 8.370 nan 0.000 0.531 250 A N 1.549 124.334 122.820 -0.059 0.000 2.438 250 A HA 0.289 4.609 4.320 0.000 0.000 0.280 250 A C 0.255 177.820 177.584 -0.032 0.000 1.160 250 A CA -0.002 52.008 52.037 -0.045 0.000 0.821 250 A CB -0.015 18.962 19.000 -0.038 0.000 1.101 250 A HN -0.005 nan 8.150 nan 0.000 0.515 251 K N 2.656 123.048 120.400 -0.012 0.000 2.234 251 K HA 0.302 4.622 4.320 0.000 0.000 0.282 251 K C -0.573 176.110 176.600 0.139 0.000 1.039 251 K CA -0.027 56.306 56.287 0.076 0.000 0.928 251 K CB 1.246 33.733 32.500 -0.022 0.000 1.039 251 K HN 0.581 nan 8.250 nan 0.000 0.470 252 K N 1.948 122.478 120.400 0.218 0.000 2.483 252 K HA 0.141 4.461 4.320 0.000 0.000 0.256 252 K C -0.434 176.330 176.600 0.273 0.000 0.961 252 K CA -0.447 55.973 56.287 0.221 0.000 0.873 252 K CB 1.688 34.338 32.500 0.250 0.000 1.107 252 K HN 0.702 nan 8.250 nan 0.000 0.432 253 S N 2.524 118.344 115.700 0.200 0.000 2.632 253 S HA 0.423 4.894 4.470 0.000 0.000 0.271 253 S C 0.394 175.048 174.600 0.091 0.000 1.260 253 S CA -0.768 57.528 58.200 0.159 0.000 1.010 253 S CB 0.543 63.833 63.200 0.151 0.000 0.965 253 S HN 0.494 nan 8.310 nan 0.000 0.534 254 I N 2.453 123.073 120.570 0.085 0.000 2.317 254 I HA 0.257 4.427 4.170 0.000 0.000 0.286 254 I C -1.916 174.233 176.117 0.053 0.000 1.119 254 I CA -2.255 59.070 61.300 0.041 0.000 1.228 254 I CB 0.688 38.754 38.000 0.110 0.000 1.476 254 I HN 0.465 nan 8.210 nan 0.000 0.514 255 P HA -0.199 nan 4.420 nan 0.000 0.216 255 P C 0.783 178.111 177.300 0.046 0.000 1.157 255 P CA 1.468 64.588 63.100 0.033 0.000 0.880 255 P CB 0.159 31.861 31.700 0.004 0.000 0.791 256 D N -1.648 118.769 120.400 0.028 0.000 2.392 256 D HA -0.069 4.571 4.640 0.000 0.000 0.228 256 D C 1.664 178.008 176.300 0.073 0.000 1.003 256 D CA 0.875 54.898 54.000 0.038 0.000 0.917 256 D CB -0.540 40.268 40.800 0.013 0.000 0.890 256 D HN 0.274 nan 8.370 nan 0.000 0.532 257 S N -0.455 115.311 115.700 0.111 0.000 2.524 257 S HA 0.021 4.491 4.470 0.000 0.000 0.216 257 S C 0.840 175.575 174.600 0.225 0.000 0.987 257 S CA -0.527 57.781 58.200 0.180 0.000 0.909 257 S CB -0.093 63.266 63.200 0.264 0.000 0.781 257 S HN 0.105 nan 8.310 nan 0.000 0.521 258 L N 4.139 125.463 121.223 0.168 0.000 2.700 258 L HA 0.270 4.610 4.340 0.000 0.000 0.272 258 L C -0.675 176.293 176.870 0.163 0.000 1.176 258 L CA 1.052 55.988 54.840 0.161 0.000 0.961 258 L CB -0.592 41.544 42.059 0.128 0.000 1.249 258 L HN 0.232 nan 8.230 nan 0.000 0.487 259 T N 6.050 120.706 114.554 0.169 0.000 2.841 259 T HA 0.457 4.807 4.350 0.000 0.000 0.283 259 T C -0.229 174.510 174.700 0.066 0.000 1.000 259 T CA -0.709 61.464 62.100 0.122 0.000 0.977 259 T CB 1.633 70.576 68.868 0.125 0.000 0.979 259 T HN 0.550 nan 8.240 nan 0.000 0.446 260 R N 2.782 123.277 120.500 -0.009 0.000 2.312 260 R HA 0.640 4.980 4.340 0.000 0.000 0.311 260 R C -1.066 175.115 176.300 -0.198 0.000 1.004 260 R CA -0.536 55.421 56.100 -0.238 0.000 0.902 260 R CB 0.503 30.656 30.300 -0.245 0.000 1.073 260 R HN 0.600 nan 8.270 nan 0.000 0.457 261 I N 5.968 126.380 120.570 -0.264 0.000 2.569 261 I HA 0.334 4.504 4.170 0.000 0.000 0.290 261 I C -2.400 173.616 176.117 -0.169 0.000 1.088 261 I CA -2.596 58.609 61.300 -0.158 0.000 1.047 261 I CB 2.567 40.505 38.000 -0.103 0.000 1.237 261 I HN 0.429 nan 8.210 nan 0.000 0.421 262 P HA 0.241 nan 4.420 nan 0.000 0.280 262 P C -0.792 176.451 177.300 -0.095 0.000 1.244 262 P CA -0.302 62.733 63.100 -0.107 0.000 0.784 262 P CB 0.528 32.180 31.700 -0.080 0.000 0.913 263 I N 5.154 125.663 120.570 -0.100 0.000 2.297 263 I HA 0.261 4.431 4.170 0.000 0.000 0.291 263 I C 0.075 176.138 176.117 -0.090 0.000 1.033 263 I CA -0.352 60.890 61.300 -0.096 0.000 1.253 263 I CB -0.091 37.840 38.000 -0.116 0.000 1.396 263 I HN 0.193 nan 8.210 nan 0.000 0.476 264 I N 5.681 126.206 120.570 -0.075 0.000 2.389 264 I HA 0.272 4.442 4.170 0.000 0.000 0.288 264 I C 0.172 176.253 176.117 -0.060 0.000 0.999 264 I CA -0.377 60.886 61.300 -0.063 0.000 1.129 264 I CB 1.314 39.284 38.000 -0.051 0.000 1.288 264 I HN 0.462 nan 8.210 nan 0.000 0.444 265 D N 5.243 125.609 120.400 -0.057 0.000 2.772 265 D HA -0.181 4.459 4.640 0.000 0.000 0.233 265 D C 1.314 177.575 176.300 -0.065 0.000 1.143 265 D CA 1.647 55.617 54.000 -0.051 0.000 0.700 265 D CB -0.925 39.853 40.800 -0.035 0.000 1.076 265 D HN 1.149 nan 8.370 nan 0.000 0.430 266 G N -0.811 107.932 108.800 -0.095 0.000 2.184 266 G HA2 -0.301 3.659 3.960 0.000 0.000 0.264 266 G HA3 -0.301 3.659 3.960 0.000 0.000 0.264 266 G C -0.164 174.689 174.900 -0.079 0.000 0.975 266 G CA 0.490 45.526 45.100 -0.108 0.000 0.642 266 G HN 0.466 nan 8.290 nan 0.000 0.536 267 D N 0.200 120.560 120.400 -0.068 0.000 2.350 267 D HA 0.677 5.317 4.640 0.000 0.000 0.245 267 D C 0.490 176.755 176.300 -0.059 0.000 1.036 267 D CA 0.743 54.709 54.000 -0.057 0.000 0.848 267 D CB 1.503 42.273 40.800 -0.050 0.000 1.307 267 D HN 0.672 nan 8.370 nan 0.000 0.469 268 G N 0.116 108.883 108.800 -0.054 0.000 2.690 268 G HA2 0.576 4.536 3.960 0.000 0.000 0.291 268 G HA3 0.576 4.536 3.960 0.000 0.000 0.291 268 G C -1.404 173.468 174.900 -0.048 0.000 1.403 268 G CA -0.766 44.301 45.100 -0.054 0.000 0.864 268 G HN 0.268 nan 8.290 nan 0.000 0.480 269 K N 0.370 120.743 120.400 -0.045 0.000 2.668 269 K HA 0.616 4.936 4.320 0.000 0.000 0.246 269 K C -0.594 176.004 176.600 -0.002 0.000 0.976 269 K CA -0.572 55.692 56.287 -0.039 0.000 0.902 269 K CB 1.444 33.899 32.500 -0.075 0.000 1.172 269 K HN 0.759 nan 8.250 nan 0.000 0.452 270 A N 2.696 125.543 122.820 0.044 0.000 2.306 270 A HA 0.617 4.937 4.320 0.000 0.000 0.314 270 A C -0.530 177.191 177.584 0.228 0.000 1.164 270 A CA -0.301 51.813 52.037 0.128 0.000 0.822 270 A CB 1.179 20.257 19.000 0.130 0.000 1.130 270 A HN 0.595 nan 8.150 nan 0.000 0.496 271 T N 1.880 116.572 114.554 0.231 0.000 2.863 271 T HA 0.520 4.870 4.350 0.000 0.000 0.285 271 T C -0.929 173.763 174.700 -0.012 0.000 1.009 271 T CA -0.249 61.950 62.100 0.165 0.000 0.989 271 T CB 1.234 70.202 68.868 0.167 0.000 1.004 271 T HN 0.614 nan 8.240 nan 0.000 0.455 272 L N 3.632 124.648 121.223 -0.345 0.000 2.298 272 L HA 0.511 4.851 4.340 0.000 0.000 0.284 272 L C -0.382 176.352 176.870 -0.227 0.000 1.013 272 L CA -0.566 53.930 54.840 -0.573 0.000 0.824 272 L CB 0.635 41.910 42.059 -1.308 0.000 1.221 272 L HN 0.333 nan 8.230 nan 0.000 0.418 273 K N 3.638 123.988 120.400 -0.084 0.000 2.350 273 K HA 0.102 4.422 4.320 0.000 0.000 0.279 273 K C 0.766 177.408 176.600 0.070 0.000 1.027 273 K CA -0.397 55.894 56.287 0.007 0.000 0.969 273 K CB 1.270 33.790 32.500 0.033 0.000 0.954 273 K HN 0.548 nan 8.250 nan 0.000 0.474 274 R N 2.460 123.016 120.500 0.095 0.000 2.127 274 R HA -0.168 4.172 4.340 0.000 0.000 0.238 274 R C 0.813 177.226 176.300 0.187 0.000 1.134 274 R CA 1.739 57.937 56.100 0.163 0.000 0.975 274 R CB -0.213 30.142 30.300 0.092 0.000 0.865 274 R HN 0.609 nan 8.270 nan 0.000 0.447 275 D N -0.818 119.651 120.400 0.115 0.000 2.103 275 D HA -0.148 4.492 4.640 0.000 0.000 0.190 275 D C 1.606 177.966 176.300 0.101 0.000 0.997 275 D CA 2.256 56.311 54.000 0.092 0.000 0.833 275 D CB -0.629 40.205 40.800 0.057 0.000 0.961 275 D HN 0.243 nan 8.370 nan 0.000 0.447 276 T N 0.259 114.871 114.554 0.095 0.000 2.803 276 T HA -0.156 4.194 4.350 0.000 0.000 0.269 276 T C 1.693 176.458 174.700 0.108 0.000 1.052 276 T CA 0.675 62.819 62.100 0.074 0.000 1.136 276 T CB -0.373 68.531 68.868 0.061 0.000 0.864 276 T HN 0.134 nan 8.240 nan 0.000 0.467 277 F N 1.849 121.828 119.950 0.049 0.000 2.128 277 F HA 0.036 4.563 4.527 0.000 0.000 0.295 277 F C 2.473 178.362 175.800 0.147 0.000 1.100 277 F CA 1.027 59.105 58.000 0.130 0.000 1.260 277 F CB -0.086 39.033 39.000 0.197 0.000 1.009 277 F HN -0.125 nan 8.300 nan 0.000 0.476 278 R N -0.179 120.474 120.500 0.256 0.000 2.091 278 R HA -0.159 4.181 4.340 0.000 0.000 0.238 278 R C 2.369 178.660 176.300 -0.015 0.000 1.136 278 R CA 1.625 57.798 56.100 0.122 0.000 0.959 278 R CB -0.849 29.533 30.300 0.137 0.000 0.856 278 R HN 0.253 nan 8.270 nan 0.000 0.437 279 S N 0.252 115.935 115.700 -0.028 0.000 2.399 279 S HA -0.145 4.325 4.470 0.000 0.000 0.231 279 S C 1.830 176.325 174.600 -0.174 0.000 1.022 279 S CA 1.343 59.499 58.200 -0.074 0.000 0.983 279 S CB -0.113 63.057 63.200 -0.051 0.000 0.803 279 S HN 0.191 nan 8.310 nan 0.000 0.480 280 R N 0.308 120.627 120.500 -0.301 0.000 2.112 280 R HA 0.191 4.531 4.340 0.000 0.000 0.216 280 R C -0.547 175.251 176.300 -0.835 0.000 1.080 280 R CA 0.858 56.602 56.100 -0.592 0.000 0.996 280 R CB -0.085 29.764 30.300 -0.752 0.000 0.902 280 R HN 0.285 nan 8.270 nan 0.000 0.449 281 F N 0.564 120.326 119.950 -0.312 0.000 2.531 281 F HA 0.430 4.957 4.527 0.000 0.000 0.333 281 F C -1.864 173.827 175.800 -0.182 0.000 1.292 281 F CA -2.596 55.230 58.000 -0.289 0.000 1.184 281 F CB 1.798 40.504 39.000 -0.489 0.000 1.426 281 F HN -0.012 nan 8.300 nan 0.000 0.559 282 P HA -0.096 nan 4.420 nan 0.000 0.215 282 P C 0.366 177.696 177.300 0.050 0.000 1.157 282 P CA 0.887 64.000 63.100 0.021 0.000 0.856 282 P CB 0.244 31.941 31.700 -0.005 0.000 0.786 283 N N 0.400 119.134 118.700 0.056 0.000 2.416 283 N HA 0.015 4.755 4.740 0.000 0.000 0.265 283 N C 0.826 176.382 175.510 0.077 0.000 1.195 283 N CA 0.112 53.197 53.050 0.059 0.000 0.943 283 N CB -0.056 38.464 38.487 0.054 0.000 1.115 283 N HN -0.204 nan 8.380 nan 0.000 0.481 284 L N 3.540 124.803 121.223 0.066 0.000 2.201 284 L HA -0.037 4.303 4.340 0.000 0.000 0.212 284 L C 1.758 178.659 176.870 0.051 0.000 1.105 284 L CA 0.819 55.701 54.840 0.070 0.000 0.775 284 L CB -0.531 41.563 42.059 0.058 0.000 0.913 284 L HN 0.539 nan 8.230 nan 0.000 0.440 285 N N -0.145 118.580 118.700 0.041 0.000 2.149 285 N HA -0.242 4.498 4.740 0.000 0.000 0.188 285 N C 1.765 177.298 175.510 0.038 0.000 1.019 285 N CA 1.036 54.103 53.050 0.029 0.000 0.857 285 N CB -0.106 38.398 38.487 0.027 0.000 0.997 285 N HN 0.408 nan 8.380 nan 0.000 0.426 286 E N -0.153 120.088 120.200 0.068 0.000 2.472 286 E HA -0.071 4.279 4.350 0.000 0.000 0.200 286 E C 0.962 177.637 176.600 0.124 0.000 1.046 286 E CA 0.383 56.844 56.400 0.103 0.000 0.871 286 E CB 0.066 29.843 29.700 0.128 0.000 0.806 286 E HN 0.400 nan 8.360 nan 0.000 0.533 287 L N 0.368 121.628 121.223 0.062 0.000 2.616 287 L HA 0.153 4.493 4.340 0.000 0.000 0.229 287 L C 0.308 177.150 176.870 -0.046 0.000 1.110 287 L CA -0.281 54.596 54.840 0.062 0.000 0.884 287 L CB 0.948 43.045 42.059 0.063 0.000 1.115 287 L HN -0.109 nan 8.230 nan 0.000 0.481 288 V N 1.297 121.127 119.914 -0.139 0.000 2.617 288 V HA 0.132 4.252 4.120 0.000 0.000 0.304 288 V C 1.522 177.376 176.094 -0.400 0.000 1.040 288 V CA 0.987 63.173 62.300 -0.191 0.000 1.149 288 V CB 0.193 31.938 31.823 -0.130 0.000 0.914 288 V HN 0.642 nan 8.190 nan 0.000 0.487 289 G N 3.073 111.753 108.800 -0.200 0.000 2.166 289 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 289 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 289 G C 0.029 174.863 174.900 -0.110 0.000 0.986 289 G CA 0.751 45.768 45.100 -0.139 0.000 0.683 289 G HN 0.906 nan 8.290 nan 0.000 0.527 290 H N -0.376 118.704 119.070 0.017 0.000 2.559 290 H HA 0.673 5.230 4.556 0.000 0.000 0.343 290 H C 0.692 175.982 175.328 -0.064 0.000 1.209 290 H CA -0.126 55.906 56.048 -0.028 0.000 1.287 290 H CB 1.491 31.223 29.762 -0.051 0.000 1.650 290 H HN 0.328 nan 8.280 nan 0.000 0.567 291 T N -0.218 114.357 114.554 0.036 0.000 2.918 291 T HA 0.442 4.792 4.350 0.000 0.000 0.286 291 T C -0.758 173.916 174.700 -0.043 0.000 1.026 291 T CA -1.022 61.020 62.100 -0.096 0.000 1.031 291 T CB 1.257 69.985 68.868 -0.233 0.000 1.046 291 T HN 0.276 nan 8.240 nan 0.000 0.479 292 L N 3.727 124.883 121.223 -0.112 0.000 2.295 292 L HA 0.692 5.032 4.340 0.000 0.000 0.285 292 L C -0.955 175.856 176.870 -0.099 0.000 1.035 292 L CA -0.734 53.996 54.840 -0.184 0.000 0.806 292 L CB 0.516 42.301 42.059 -0.457 0.000 1.214 292 L HN 0.832 nan 8.230 nan 0.000 0.426 293 Y N 3.446 123.717 120.300 -0.048 0.000 2.630 293 Y HA 0.955 5.505 4.550 0.000 0.000 0.337 293 Y C -1.004 174.907 175.900 0.019 0.000 1.051 293 Y CA -1.160 56.926 58.100 -0.024 0.000 1.121 293 Y CB 1.414 39.849 38.460 -0.042 0.000 1.299 293 Y HN 0.797 nan 8.280 nan 0.000 0.498 294 A N 1.218 124.162 122.820 0.207 0.000 2.408 294 A HA 0.596 4.916 4.320 0.000 0.000 0.295 294 A C -1.293 176.297 177.584 0.009 0.000 1.040 294 A CA -0.666 51.299 52.037 -0.120 0.000 0.707 294 A CB 1.316 20.125 19.000 -0.318 0.000 1.235 294 A HN 0.725 nan 8.150 nan 0.000 0.418 295 S N 2.023 117.717 115.700 -0.011 0.000 2.512 295 S HA 0.461 4.931 4.470 0.000 0.000 0.291 295 S C -0.188 174.389 174.600 -0.039 0.000 1.151 295 S CA -0.291 57.916 58.200 0.012 0.000 1.120 295 S CB -0.214 63.028 63.200 0.070 0.000 1.029 295 S HN 0.632 nan 8.310 nan 0.000 0.485 296 V N 4.325 124.213 119.914 -0.043 0.000 2.649 296 V HA 0.451 4.571 4.120 0.000 0.000 0.292 296 V C 0.383 176.499 176.094 0.036 0.000 1.055 296 V CA -0.161 62.130 62.300 -0.015 0.000 1.023 296 V CB 1.633 33.441 31.823 -0.024 0.000 0.992 296 V HN 0.758 nan 8.190 nan 0.000 0.480 297 T N 3.562 118.174 114.554 0.096 0.000 3.066 297 T HA 0.424 4.774 4.350 0.000 0.000 0.318 297 T C -0.627 174.195 174.700 0.204 0.000 0.979 297 T CA -0.337 61.849 62.100 0.142 0.000 1.025 297 T CB 1.230 70.196 68.868 0.163 0.000 1.002 297 T HN 0.335 nan 8.240 nan 0.000 0.453 298 V N 4.818 124.844 119.914 0.188 0.000 2.483 298 V HA 0.612 4.732 4.120 0.000 0.000 0.295 298 V C -0.076 176.196 176.094 0.296 0.000 1.035 298 V CA -0.756 61.678 62.300 0.222 0.000 0.896 298 V CB 1.681 33.667 31.823 0.272 0.000 0.986 298 V HN 0.821 nan 8.190 nan 0.000 0.447 299 M N 3.363 123.077 119.600 0.190 0.000 2.393 299 M HA 0.415 4.895 4.480 0.000 0.000 0.316 299 M C 0.187 176.490 176.300 0.005 0.000 1.087 299 M CA -0.519 54.876 55.300 0.159 0.000 0.937 299 M CB 2.447 35.148 32.600 0.169 0.000 1.668 299 M HN 0.829 nan 8.290 nan 0.000 0.438 300 T N -1.683 112.846 114.554 -0.043 0.000 2.856 300 T HA 0.092 4.442 4.350 0.000 0.000 0.306 300 T C 0.958 175.638 174.700 -0.034 0.000 1.062 300 T CA -0.325 61.698 62.100 -0.128 0.000 1.083 300 T CB 0.621 69.444 68.868 -0.074 0.000 0.984 300 T HN 0.816 nan 8.240 nan 0.000 0.542 301 E N 0.955 121.131 120.200 -0.039 0.000 2.268 301 E HA -0.104 4.246 4.350 0.000 0.000 0.195 301 E C 1.814 178.421 176.600 0.012 0.000 0.995 301 E CA 1.283 57.676 56.400 -0.012 0.000 0.836 301 E CB -0.513 29.177 29.700 -0.018 0.000 0.763 301 E HN 0.681 nan 8.360 nan 0.000 0.491 302 S N -0.758 114.956 115.700 0.023 0.000 2.528 302 S HA 0.286 4.756 4.470 0.000 0.000 0.219 302 S C 1.796 176.419 174.600 0.039 0.000 0.985 302 S CA -0.052 58.167 58.200 0.031 0.000 0.914 302 S CB -0.047 63.174 63.200 0.036 0.000 0.776 302 S HN 0.673 nan 8.310 nan 0.000 0.526 303 G N 1.605 110.434 108.800 0.048 0.000 2.148 303 G HA2 -0.339 3.621 3.960 0.000 0.000 0.254 303 G HA3 -0.339 3.621 3.960 0.000 0.000 0.254 303 G C 0.944 175.884 174.900 0.067 0.000 0.981 303 G CA 0.786 45.922 45.100 0.060 0.000 0.670 303 G HN 1.071 nan 8.290 nan 0.000 0.528 304 S N -1.547 114.197 115.700 0.073 0.000 2.446 304 S HA 0.340 4.810 4.470 0.000 0.000 0.225 304 S C 0.573 175.238 174.600 0.110 0.000 1.016 304 S CA 1.311 59.558 58.200 0.080 0.000 0.943 304 S CB 0.596 63.842 63.200 0.076 0.000 0.786 304 S HN 0.523 nan 8.310 nan 0.000 0.508 305 D N -0.554 119.938 120.400 0.154 0.000 2.655 305 D HA 0.549 5.189 4.640 0.000 0.000 0.229 305 D C -1.555 174.925 176.300 0.300 0.000 1.229 305 D CA -0.385 53.749 54.000 0.224 0.000 0.807 305 D CB 2.060 43.057 40.800 0.329 0.000 1.514 305 D HN 0.284 nan 8.370 nan 0.000 0.444 306 M N 2.325 122.076 119.600 0.252 0.000 2.378 306 M HA 0.558 5.038 4.480 0.000 0.000 0.289 306 M C -2.014 174.329 176.300 0.072 0.000 1.136 306 M CA -0.626 54.810 55.300 0.226 0.000 0.917 306 M CB 1.916 34.604 32.600 0.146 0.000 1.669 306 M HN 0.159 nan 8.290 nan 0.000 0.461 307 V N 4.423 124.352 119.914 0.024 0.000 2.604 307 V HA 0.622 4.742 4.120 0.000 0.000 0.305 307 V C -0.958 175.122 176.094 -0.023 0.000 1.043 307 V CA -0.705 61.503 62.300 -0.153 0.000 0.888 307 V CB 2.141 33.637 31.823 -0.545 0.000 0.995 307 V HN 0.670 nan 8.190 nan 0.000 0.429 308 V N 4.316 124.222 119.914 -0.013 0.000 2.350 308 V HA 0.507 4.627 4.120 0.000 0.000 0.285 308 V C 0.314 176.390 176.094 -0.030 0.000 1.014 308 V CA -0.185 62.114 62.300 -0.001 0.000 0.831 308 V CB 1.568 33.397 31.823 0.010 0.000 1.000 308 V HN 1.044 nan 8.190 nan 0.000 0.433 309 T N 3.086 117.620 114.554 -0.033 0.000 2.855 309 T HA 0.761 5.111 4.350 0.000 0.000 0.275 309 T C -0.495 174.178 174.700 -0.045 0.000 1.022 309 T CA -0.764 61.308 62.100 -0.048 0.000 0.977 309 T CB 1.902 70.743 68.868 -0.045 0.000 1.559 309 T HN 0.737 nan 8.240 nan 0.000 0.600 310 E N 0.044 120.216 120.200 -0.046 0.000 2.422 310 E HA 0.327 4.677 4.350 0.000 0.000 0.289 310 E C -1.974 174.616 176.600 -0.017 0.000 0.985 310 E CA -0.601 55.778 56.400 -0.035 0.000 0.812 310 E CB 1.607 31.266 29.700 -0.069 0.000 1.226 310 E HN 0.351 nan 8.360 nan 0.000 0.419 311 Q N 2.477 122.289 119.800 0.019 0.000 2.368 311 Q HA 0.450 4.790 4.340 0.000 0.000 0.256 311 Q C -1.387 174.660 176.000 0.079 0.000 0.980 311 Q CA -0.182 55.649 55.803 0.048 0.000 0.887 311 Q CB 1.277 30.063 28.738 0.080 0.000 1.221 311 Q HN 0.536 nan 8.270 nan 0.000 0.458 312 S N 1.476 117.201 115.700 0.041 0.000 2.751 312 S HA 0.847 5.317 4.470 0.000 0.000 0.310 312 S C 0.451 175.058 174.600 0.011 0.000 1.128 312 S CA -0.543 57.678 58.200 0.036 0.000 0.931 312 S CB 1.321 64.506 63.200 -0.025 0.000 1.177 312 S HN 1.261 nan 8.310 nan 0.000 0.530 313 G N 0.238 109.018 108.800 -0.034 0.000 2.273 313 G HA2 -0.167 3.793 3.960 0.000 0.000 0.280 313 G HA3 -0.167 3.793 3.960 0.000 0.000 0.280 313 G C -0.206 174.667 174.900 -0.044 0.000 1.047 313 G CA 0.033 45.081 45.100 -0.087 0.000 0.869 313 G HN 0.682 nan 8.290 nan 0.000 0.502 314 I N 2.168 122.699 120.570 -0.066 0.000 2.287 314 I HA 0.209 4.379 4.170 0.000 0.000 0.290 314 I C 0.880 176.958 176.117 -0.064 0.000 1.069 314 I CA -0.846 60.432 61.300 -0.037 0.000 1.237 314 I CB -0.136 37.767 38.000 -0.161 0.000 1.418 314 I HN 0.179 nan 8.210 nan 0.000 0.481 315 H N 6.234 125.312 119.070 0.015 0.000 2.848 315 H HA 0.249 4.805 4.556 0.000 0.000 0.341 315 H C 0.036 175.387 175.328 0.038 0.000 1.060 315 H CA 0.124 56.188 56.048 0.027 0.000 1.444 315 H CB 1.742 31.519 29.762 0.025 0.000 1.446 315 H HN 0.426 nan 8.280 nan 0.000 0.583 316 I N 4.693 125.344 120.570 0.135 0.000 2.301 316 I HA 0.060 4.230 4.170 0.000 0.000 0.292 316 I C 0.464 176.634 176.117 0.088 0.000 1.046 316 I CA -0.150 61.222 61.300 0.121 0.000 1.282 316 I CB 0.371 38.448 38.000 0.129 0.000 1.409 316 I HN 0.266 nan 8.210 nan 0.000 0.484 317 V N 2.868 122.820 119.914 0.063 0.000 3.156 317 V HA 0.789 4.909 4.120 0.000 0.000 0.311 317 V C 0.363 176.485 176.094 0.047 0.000 1.208 317 V CA -0.447 61.867 62.300 0.022 0.000 1.063 317 V CB 1.661 33.457 31.823 -0.045 0.000 1.098 317 V HN 0.574 nan 8.190 nan 0.000 0.452 318 A N 0.228 123.059 122.820 0.019 0.000 2.115 318 A HA 0.607 4.928 4.320 0.000 0.000 0.211 318 A C 1.200 178.816 177.584 0.054 0.000 1.169 318 A CA 0.914 52.975 52.037 0.040 0.000 0.787 318 A CB -0.101 18.894 19.000 -0.009 0.000 0.858 318 A HN 1.391 nan 8.150 nan 0.000 0.474 319 S N -1.563 114.115 115.700 -0.036 0.000 2.569 319 S HA 0.568 5.039 4.470 0.000 0.000 0.280 319 S C -2.730 171.611 174.600 -0.431 0.000 1.111 319 S CA -1.171 56.963 58.200 -0.111 0.000 0.887 319 S CB 1.662 64.817 63.200 -0.075 0.000 1.095 319 S HN -0.062 nan 8.310 nan 0.000 0.476 320 P HA 0.200 nan 4.420 nan 0.000 0.237 320 P C -1.022 175.663 177.300 -1.026 0.000 1.178 320 P CA 0.800 63.090 63.100 -1.351 0.000 0.766 320 P CB -0.121 30.714 31.700 -1.441 0.000 0.876 321 Y N -1.595 118.544 120.300 -0.267 0.000 2.581 321 Y HA 0.545 5.095 4.550 0.000 0.000 0.345 321 Y C 0.346 176.126 175.900 -0.199 0.000 1.036 321 Y CA -0.987 56.998 58.100 -0.191 0.000 1.042 321 Y CB 1.479 39.856 38.460 -0.138 0.000 1.289 321 Y HN -0.347 nan 8.280 nan 0.000 0.471 322 Q N 1.435 121.211 119.800 -0.039 0.000 2.365 322 Q HA 0.659 4.999 4.340 0.000 0.000 0.269 322 Q C -1.369 174.414 176.000 -0.363 0.000 1.061 322 Q CA -0.725 54.948 55.803 -0.217 0.000 0.816 322 Q CB 2.989 31.596 28.738 -0.219 0.000 1.325 322 Q HN 0.545 nan 8.270 nan 0.000 0.446 323 I N 2.434 122.713 120.570 -0.486 0.000 2.412 323 I HA 0.366 4.536 4.170 0.000 0.000 0.296 323 I C -0.630 175.025 176.117 -0.771 0.000 0.987 323 I CA -0.646 60.340 61.300 -0.524 0.000 1.180 323 I CB 0.958 38.722 38.000 -0.393 0.000 1.340 323 I HN 0.481 nan 8.210 nan 0.000 0.455 324 H N 6.081 124.943 119.070 -0.346 0.000 2.679 324 H HA 0.309 4.865 4.556 0.000 0.000 0.360 324 H C -0.883 174.233 175.328 -0.353 0.000 1.105 324 H CA -0.513 55.403 56.048 -0.220 0.000 1.196 324 H CB 1.996 31.791 29.762 0.055 0.000 1.636 324 H HN 0.435 nan 8.280 nan 0.000 0.531 325 F N 0.819 120.875 119.950 0.176 0.000 2.837 325 F HA 0.041 4.568 4.527 0.000 0.000 0.298 325 F C 1.991 177.832 175.800 0.068 0.000 1.161 325 F CA -0.216 57.848 58.000 0.106 0.000 1.353 325 F CB 0.321 39.361 39.000 0.066 0.000 0.951 325 F HN 0.479 nan 8.300 nan 0.000 0.508 326 T N -3.649 111.005 114.554 0.166 0.000 3.118 326 T HA -0.008 4.342 4.350 0.000 0.000 0.260 326 T C 1.395 176.034 174.700 -0.101 0.000 1.139 326 T CA 0.734 62.845 62.100 0.018 0.000 1.085 326 T CB -0.105 68.731 68.868 -0.052 0.000 0.934 326 T HN 0.240 nan 8.240 nan 0.000 0.518 327 K N 1.362 121.741 120.400 -0.035 0.000 2.413 327 K HA 0.182 4.502 4.320 0.000 0.000 0.204 327 K C 0.428 177.060 176.600 0.054 0.000 1.041 327 K CA -0.036 56.211 56.287 -0.067 0.000 1.082 327 K CB 1.125 33.584 32.500 -0.069 0.000 0.871 327 K HN 0.503 nan 8.250 nan 0.000 0.535 328 T N -0.984 113.631 114.554 0.101 0.000 2.908 328 T HA 0.469 4.819 4.350 0.000 0.000 0.290 328 T C -2.949 171.836 174.700 0.141 0.000 1.034 328 T CA -2.552 59.622 62.100 0.123 0.000 1.010 328 T CB 2.127 71.105 68.868 0.184 0.000 1.068 328 T HN -0.288 nan 8.240 nan 0.000 0.481 329 P HA 0.312 nan 4.420 nan 0.000 0.267 329 P C -0.256 177.169 177.300 0.208 0.000 1.200 329 P CA -0.348 62.886 63.100 0.224 0.000 0.772 329 P CB 0.364 32.242 31.700 0.298 0.000 0.855 330 K N 1.110 121.540 120.400 0.050 0.000 2.493 330 K HA 0.247 4.567 4.320 0.000 0.000 0.207 330 K C -0.955 175.306 176.600 -0.565 0.000 1.033 330 K CA -0.018 56.114 56.287 -0.258 0.000 1.161 330 K CB -0.343 31.910 32.500 -0.412 0.000 0.873 330 K HN 0.419 nan 8.250 nan 0.000 0.491 331 Y N -0.306 120.088 120.300 0.157 0.000 2.441 331 Y HA 0.305 4.855 4.550 0.000 0.000 0.334 331 Y C -0.446 175.559 175.900 0.175 0.000 1.061 331 Y CA -1.853 56.306 58.100 0.099 0.000 1.032 331 Y CB 1.070 39.589 38.460 0.098 0.000 1.266 331 Y HN -0.038 nan 8.280 nan 0.000 0.441 332 F N -0.318 119.718 119.950 0.143 0.000 2.572 332 F HA 0.950 5.477 4.527 0.000 0.000 0.342 332 F C -1.224 174.607 175.800 0.052 0.000 1.064 332 F CA -1.666 56.368 58.000 0.057 0.000 1.008 332 F CB 1.296 40.147 39.000 -0.249 0.000 1.303 332 F HN 0.124 nan 8.300 nan 0.000 0.492 333 K N 1.641 122.139 120.400 0.163 0.000 2.507 333 K HA 0.438 4.758 4.320 0.000 0.000 0.253 333 K C -2.897 173.616 176.600 -0.144 0.000 0.969 333 K CA -1.913 54.259 56.287 -0.191 0.000 0.908 333 K CB 1.193 33.546 32.500 -0.245 0.000 1.127 333 K HN 0.246 nan 8.250 nan 0.000 0.437 334 P HA -0.012 nan 4.420 nan 0.000 0.262 334 P C 0.737 177.984 177.300 -0.088 0.000 1.182 334 P CA 0.921 64.041 63.100 0.034 0.000 0.761 334 P CB 0.657 32.394 31.700 0.061 0.000 0.795 335 G N 1.744 110.537 108.800 -0.011 0.000 2.176 335 G HA2 -0.266 3.694 3.960 0.000 0.000 0.253 335 G HA3 -0.266 3.694 3.960 0.000 0.000 0.253 335 G C 0.010 174.894 174.900 -0.027 0.000 0.979 335 G CA -0.143 44.952 45.100 -0.008 0.000 0.641 335 G HN 0.482 nan 8.290 nan 0.000 0.530 336 M N 0.397 119.960 119.600 -0.061 0.000 2.602 336 M HA 0.496 4.976 4.480 0.000 0.000 0.312 336 M C -2.526 173.708 176.300 -0.111 0.000 1.181 336 M CA -2.219 53.026 55.300 -0.090 0.000 0.910 336 M CB 2.174 34.689 32.600 -0.143 0.000 1.723 336 M HN -0.150 nan 8.290 nan 0.000 0.459 337 P HA 0.003 nan 4.420 nan 0.000 0.265 337 P C -1.643 175.538 177.300 -0.199 0.000 1.222 337 P CA 0.139 63.165 63.100 -0.123 0.000 0.767 337 P CB -0.123 31.523 31.700 -0.090 0.000 0.801 338 Y N 3.137 123.289 120.300 -0.246 0.000 2.304 338 Y HA 0.183 4.733 4.550 0.000 0.000 0.328 338 Y C 0.376 176.189 175.900 -0.145 0.000 1.123 338 Y CA -0.229 57.742 58.100 -0.215 0.000 1.218 338 Y CB 0.947 39.289 38.460 -0.197 0.000 1.207 338 Y HN 0.339 nan 8.280 nan 0.000 0.495 339 E N 6.934 126.669 120.200 -0.776 0.000 2.055 339 E HA 0.182 4.532 4.350 0.000 0.000 0.274 339 E C -1.485 174.652 176.600 -0.771 0.000 0.949 339 E CA -0.812 55.254 56.400 -0.557 0.000 0.775 339 E CB 1.323 30.879 29.700 -0.240 0.000 1.097 339 E HN 0.512 nan 8.360 nan 0.000 0.404 340 L N 3.191 124.140 121.223 -0.456 0.000 2.265 340 L HA 0.267 4.607 4.340 0.000 0.000 0.288 340 L C -0.463 176.372 176.870 -0.059 0.000 1.058 340 L CA 0.147 54.882 54.840 -0.176 0.000 0.809 340 L CB 1.427 43.506 42.059 0.033 0.000 1.179 340 L HN 0.219 nan 8.230 nan 0.000 0.429 341 T N 5.228 119.789 114.554 0.011 0.000 2.947 341 T HA 0.402 4.752 4.350 0.000 0.000 0.337 341 T C -0.336 174.416 174.700 0.086 0.000 1.139 341 T CA -0.375 61.744 62.100 0.033 0.000 0.992 341 T CB 0.544 69.427 68.868 0.025 0.000 1.043 341 T HN 0.356 nan 8.240 nan 0.000 0.498 342 V N 4.086 124.034 119.914 0.057 0.000 2.530 342 V HA 0.277 4.397 4.120 0.000 0.000 0.282 342 V C -0.420 175.716 176.094 0.069 0.000 1.048 342 V CA -0.753 61.552 62.300 0.009 0.000 0.997 342 V CB 0.222 32.020 31.823 -0.040 0.000 0.987 342 V HN 0.693 nan 8.190 nan 0.000 0.477 343 Y N 4.706 124.939 120.300 -0.112 0.000 2.334 343 Y HA 0.643 5.193 4.550 0.000 0.000 0.336 343 Y C -0.422 175.453 175.900 -0.041 0.000 0.960 343 Y CA -1.136 56.938 58.100 -0.043 0.000 1.164 343 Y CB 1.650 40.115 38.460 0.008 0.000 1.155 343 Y HN 0.412 nan 8.280 nan 0.000 0.478 344 V N 6.094 125.810 119.914 -0.330 0.000 2.448 344 V HA 0.582 4.702 4.120 0.000 0.000 0.295 344 V C -0.141 175.719 176.094 -0.391 0.000 1.025 344 V CA -0.507 61.598 62.300 -0.325 0.000 0.859 344 V CB 1.549 33.220 31.823 -0.253 0.000 0.988 344 V HN 0.861 nan 8.190 nan 0.000 0.431 345 T N 1.017 115.419 114.554 -0.254 0.000 2.916 345 T HA 0.525 4.876 4.350 0.000 0.000 0.292 345 T C -0.298 174.407 174.700 0.009 0.000 1.064 345 T CA -0.947 61.054 62.100 -0.164 0.000 1.011 345 T CB 1.765 70.522 68.868 -0.186 0.000 1.152 345 T HN 0.433 nan 8.240 nan 0.000 0.510 346 N N 1.528 120.238 118.700 0.016 0.000 2.381 346 N HA 0.233 4.973 4.740 0.000 0.000 0.254 346 N C -1.772 173.689 175.510 -0.080 0.000 1.264 346 N CA -1.549 51.489 53.050 -0.019 0.000 0.942 346 N CB 0.572 39.070 38.487 0.018 0.000 1.190 346 N HN 0.432 nan 8.380 nan 0.000 0.495 347 P HA -0.118 nan 4.420 nan 0.000 0.221 347 P C 0.420 177.459 177.300 -0.435 0.000 1.145 347 P CA 1.218 64.153 63.100 -0.275 0.000 0.795 347 P CB 0.117 31.679 31.700 -0.229 0.000 0.775 348 D N -2.233 118.058 120.400 -0.183 0.000 2.289 348 D HA 0.066 4.706 4.640 0.000 0.000 0.207 348 D C 1.539 177.822 176.300 -0.028 0.000 0.966 348 D CA 1.154 55.115 54.000 -0.065 0.000 0.868 348 D CB -0.762 40.094 40.800 0.094 0.000 0.943 348 D HN 0.230 nan 8.370 nan 0.000 0.514 349 G N -0.284 108.497 108.800 -0.032 0.000 2.296 349 G HA2 -0.195 3.765 3.960 0.000 0.000 0.188 349 G HA3 -0.195 3.765 3.960 0.000 0.000 0.188 349 G C 0.355 175.264 174.900 0.015 0.000 1.000 349 G CA 0.100 45.196 45.100 -0.007 0.000 0.672 349 G HN 0.727 nan 8.290 nan 0.000 0.483 350 S N 1.034 116.750 115.700 0.027 0.000 2.573 350 S HA 0.567 5.037 4.470 0.000 0.000 0.277 350 S C -2.169 172.443 174.600 0.021 0.000 1.346 350 S CA -0.746 57.483 58.200 0.049 0.000 1.034 350 S CB 1.378 64.612 63.200 0.058 0.000 0.879 350 S HN 0.185 nan 8.310 nan 0.000 0.528 351 P HA 0.382 nan 4.420 nan 0.000 0.272 351 P C -1.188 176.130 177.300 0.029 0.000 1.223 351 P CA -0.282 62.832 63.100 0.023 0.000 0.784 351 P CB 0.480 32.252 31.700 0.120 0.000 0.923 352 A N 1.954 124.774 122.820 0.000 0.000 2.363 352 A HA 0.673 4.993 4.320 0.000 0.000 0.296 352 A C -0.151 177.454 177.584 0.036 0.000 1.237 352 A CA -0.588 51.497 52.037 0.079 0.000 0.773 352 A CB 0.438 19.538 19.000 0.167 0.000 1.153 352 A HN 0.527 nan 8.150 nan 0.000 0.473 353 A N 1.709 124.579 122.820 0.083 0.000 2.286 353 A HA 0.639 4.959 4.320 0.000 0.000 0.286 353 A C 0.532 178.164 177.584 0.079 0.000 1.097 353 A CA -0.002 52.024 52.037 -0.018 0.000 0.821 353 A CB -0.321 18.636 19.000 -0.072 0.000 1.076 353 A HN 1.630 nan 8.150 nan 0.000 0.490 354 H N -2.190 116.853 119.070 -0.046 0.000 2.899 354 H HA -0.135 4.421 4.556 0.000 0.000 0.282 354 H C -0.450 174.759 175.328 -0.197 0.000 1.198 354 H CA 0.596 56.590 56.048 -0.090 0.000 1.140 354 H CB -2.311 27.424 29.762 -0.044 0.000 1.317 354 H HN 0.321 nan 8.280 nan 0.000 0.375 355 V N 1.503 121.326 119.914 -0.151 0.000 2.350 355 V HA 0.330 4.450 4.120 0.000 0.000 0.276 355 V C -1.894 174.055 176.094 -0.242 0.000 1.028 355 V CA -1.592 60.534 62.300 -0.291 0.000 0.860 355 V CB 1.561 33.105 31.823 -0.465 0.000 0.990 355 V HN 0.009 nan 8.190 nan 0.000 0.453 356 P HA 0.424 nan 4.420 nan 0.000 0.282 356 P C -0.938 176.289 177.300 -0.121 0.000 1.249 356 P CA -0.179 62.834 63.100 -0.146 0.000 0.806 356 P CB 1.284 32.910 31.700 -0.124 0.000 0.984 357 V N 0.587 120.451 119.914 -0.084 0.000 3.040 357 V HA 0.909 5.029 4.120 0.000 0.000 0.312 357 V C -0.433 175.650 176.094 -0.019 0.000 1.115 357 V CA -1.242 61.022 62.300 -0.060 0.000 0.998 357 V CB 2.032 33.813 31.823 -0.070 0.000 1.042 357 V HN 0.450 nan 8.190 nan 0.000 0.433 358 V N -1.042 118.874 119.914 0.004 0.000 2.932 358 V HA 0.838 4.959 4.120 0.000 0.000 0.307 358 V C -0.386 175.740 176.094 0.053 0.000 1.147 358 V CA -0.248 62.071 62.300 0.031 0.000 0.951 358 V CB 1.532 33.375 31.823 0.033 0.000 1.031 358 V HN 1.300 nan 8.190 nan 0.000 0.426 359 S N 1.672 117.418 115.700 0.078 0.000 2.532 359 S HA 0.392 4.862 4.470 0.000 0.000 0.318 359 S C 0.650 175.277 174.600 0.046 0.000 1.083 359 S CA -0.389 57.875 58.200 0.107 0.000 1.131 359 S CB 0.837 64.156 63.200 0.198 0.000 0.973 359 S HN 0.907 nan 8.310 nan 0.000 0.468 360 E N 3.098 123.282 120.200 -0.026 0.000 2.268 360 E HA -0.083 4.267 4.350 0.000 0.000 0.195 360 E C 1.999 178.359 176.600 -0.399 0.000 0.995 360 E CA 0.962 57.277 56.400 -0.141 0.000 0.836 360 E CB 0.012 29.670 29.700 -0.071 0.000 0.763 360 E HN 0.814 nan 8.360 nan 0.000 0.491 361 A N 0.062 122.696 122.820 -0.310 0.000 1.968 361 A HA -0.087 4.233 4.320 0.000 0.000 0.217 361 A C 1.395 178.527 177.584 -0.754 0.000 1.169 361 A CA 0.925 52.642 52.037 -0.533 0.000 0.638 361 A CB -0.173 18.506 19.000 -0.535 0.000 0.812 361 A HN 0.203 nan 8.150 nan 0.000 0.446 362 F N -1.845 117.943 119.950 -0.269 0.000 2.682 362 F HA 0.237 4.764 4.527 0.000 0.000 0.308 362 F C 0.296 176.051 175.800 -0.074 0.000 1.093 362 F CA -0.177 57.732 58.000 -0.150 0.000 1.244 362 F CB -0.353 38.604 39.000 -0.073 0.000 1.052 362 F HN 0.344 nan 8.300 nan 0.000 0.573 363 H N -0.002 119.135 119.070 0.112 0.000 2.506 363 H HA -0.189 4.367 4.556 0.000 0.000 0.323 363 H C 0.201 175.578 175.328 0.082 0.000 1.076 363 H CA 0.498 56.587 56.048 0.069 0.000 1.108 363 H CB -1.404 28.378 29.762 0.033 0.000 1.569 363 H HN 0.127 nan 8.280 nan 0.000 0.399 364 S N 0.783 116.578 115.700 0.159 0.000 2.473 364 S HA 0.704 5.174 4.470 0.000 0.000 0.307 364 S C 0.042 174.682 174.600 0.067 0.000 1.094 364 S CA -0.842 57.420 58.200 0.103 0.000 1.070 364 S CB 0.808 64.055 63.200 0.078 0.000 1.019 364 S HN 0.351 nan 8.310 nan 0.000 0.480 365 M N 2.828 122.453 119.600 0.042 0.000 2.724 365 M HA 0.787 5.267 4.480 0.000 0.000 0.310 365 M C 0.114 176.412 176.300 -0.003 0.000 1.217 365 M CA -0.817 54.495 55.300 0.019 0.000 0.894 365 M CB 2.319 34.930 32.600 0.017 0.000 1.719 365 M HN 0.797 nan 8.290 nan 0.000 0.479 366 G N 0.456 109.245 108.800 -0.019 0.000 2.429 366 G HA2 0.437 4.397 3.960 0.000 0.000 0.300 366 G HA3 0.437 4.397 3.960 0.000 0.000 0.300 366 G C -1.308 173.558 174.900 -0.056 0.000 1.598 366 G CA -0.741 44.338 45.100 -0.035 0.000 0.863 366 G HN 0.786 nan 8.290 nan 0.000 0.614 367 T N -1.319 113.194 114.554 -0.068 0.000 2.925 367 T HA 0.765 5.115 4.350 0.000 0.000 0.285 367 T C 0.788 175.424 174.700 -0.107 0.000 1.021 367 T CA 0.092 62.135 62.100 -0.095 0.000 1.042 367 T CB 1.573 70.386 68.868 -0.091 0.000 1.037 367 T HN 1.404 nan 8.240 nan 0.000 0.481 368 T N 1.189 115.664 114.554 -0.132 0.000 2.899 368 T HA 0.546 4.896 4.350 0.000 0.000 0.295 368 T C 0.382 174.973 174.700 -0.182 0.000 1.033 368 T CA -0.836 61.187 62.100 -0.129 0.000 1.084 368 T CB 0.164 68.956 68.868 -0.126 0.000 0.979 368 T HN 0.578 nan 8.240 nan 0.000 0.532 369 L N 1.618 122.755 121.223 -0.144 0.000 2.751 369 L HA 0.371 4.711 4.340 0.000 0.000 0.241 369 L C 2.384 179.159 176.870 -0.159 0.000 1.146 369 L CA -0.624 54.110 54.840 -0.176 0.000 0.879 369 L CB 0.442 42.436 42.059 -0.109 0.000 1.687 369 L HN 0.942 nan 8.230 nan 0.000 0.527 370 S N -0.618 115.009 115.700 -0.122 0.000 2.419 370 S HA -0.175 4.295 4.470 0.000 0.000 0.235 370 S C 1.006 175.603 174.600 -0.005 0.000 1.019 370 S CA 1.361 59.525 58.200 -0.060 0.000 0.982 370 S CB -0.579 62.605 63.200 -0.027 0.000 0.789 370 S HN 0.797 nan 8.310 nan 0.000 0.490 371 D N 0.248 120.652 120.400 0.006 0.000 2.328 371 D HA 0.265 4.905 4.640 0.000 0.000 0.221 371 D C 1.255 177.646 176.300 0.152 0.000 1.072 371 D CA 0.407 54.448 54.000 0.069 0.000 0.850 371 D CB -0.807 40.018 40.800 0.042 0.000 0.922 371 D HN 0.604 nan 8.370 nan 0.000 0.516 372 G N 0.533 109.374 108.800 0.068 0.000 2.198 372 G HA2 -0.221 3.739 3.960 0.000 0.000 0.257 372 G HA3 -0.221 3.739 3.960 0.000 0.000 0.257 372 G C 0.239 175.205 174.900 0.110 0.000 1.042 372 G CA 0.610 45.735 45.100 0.042 0.000 0.791 372 G HN 0.806 nan 8.290 nan 0.000 0.502 373 T N -3.072 111.538 114.554 0.093 0.000 2.907 373 T HA 0.925 5.275 4.350 0.000 0.000 0.292 373 T C -0.369 174.334 174.700 0.005 0.000 1.043 373 T CA 0.018 62.178 62.100 0.099 0.000 1.003 373 T CB 2.653 71.588 68.868 0.112 0.000 1.084 373 T HN 1.851 nan 8.240 nan 0.000 0.483 374 A N 1.717 124.536 122.820 -0.002 0.000 2.402 374 A HA 0.686 5.006 4.320 0.000 0.000 0.291 374 A C -0.445 177.124 177.584 -0.025 0.000 1.051 374 A CA -0.953 51.066 52.037 -0.030 0.000 0.716 374 A CB 1.289 20.261 19.000 -0.046 0.000 1.223 374 A HN 0.927 nan 8.150 nan 0.000 0.425 375 K N 3.234 123.609 120.400 -0.041 0.000 2.285 375 K HA 0.550 4.870 4.320 0.000 0.000 0.286 375 K C -1.185 175.383 176.600 -0.054 0.000 1.072 375 K CA -0.127 56.128 56.287 -0.053 0.000 0.913 375 K CB 0.246 32.704 32.500 -0.070 0.000 1.067 375 K HN 0.685 nan 8.250 nan 0.000 0.479 376 L N 6.142 127.332 121.223 -0.055 0.000 2.305 376 L HA 0.396 4.736 4.340 0.000 0.000 0.284 376 L C -0.172 176.645 176.870 -0.088 0.000 1.013 376 L CA -1.031 53.777 54.840 -0.053 0.000 0.819 376 L CB 1.416 43.460 42.059 -0.025 0.000 1.227 376 L HN 0.563 nan 8.230 nan 0.000 0.417 377 I N 4.954 125.475 120.570 -0.080 0.000 2.396 377 I HA 0.289 4.459 4.170 0.000 0.000 0.289 377 I C 0.058 176.112 176.117 -0.104 0.000 1.056 377 I CA -0.018 61.225 61.300 -0.096 0.000 1.365 377 I CB 1.207 39.166 38.000 -0.069 0.000 1.407 377 I HN 0.457 nan 8.210 nan 0.000 0.509 378 L N 7.041 128.175 121.223 -0.149 0.000 2.346 378 L HA 0.462 4.802 4.340 0.000 0.000 0.274 378 L C 0.070 176.843 176.870 -0.162 0.000 1.007 378 L CA -0.808 53.875 54.840 -0.261 0.000 0.818 378 L CB 1.658 43.333 42.059 -0.639 0.000 1.284 378 L HN 0.445 nan 8.230 nan 0.000 0.424 379 N N 3.441 122.092 118.700 -0.081 0.000 2.462 379 N HA 0.330 5.070 4.740 0.000 0.000 0.242 379 N C -0.538 174.973 175.510 0.002 0.000 1.010 379 N CA -0.447 52.590 53.050 -0.022 0.000 0.939 379 N CB 1.524 40.025 38.487 0.024 0.000 1.127 379 N HN 0.352 nan 8.380 nan 0.000 0.509 380 I N 3.403 123.934 120.570 -0.066 0.000 2.496 380 I HA 0.238 4.408 4.170 0.000 0.000 0.285 380 I C -1.656 174.442 176.117 -0.031 0.000 1.080 380 I CA -2.100 59.140 61.300 -0.100 0.000 1.404 380 I CB -0.149 37.703 38.000 -0.247 0.000 1.403 380 I HN 0.116 nan 8.210 nan 0.000 0.539 381 P HA -0.039 nan 4.420 nan 0.000 0.269 381 P C 0.880 178.193 177.300 0.021 0.000 1.211 381 P CA -0.283 62.821 63.100 0.008 0.000 0.781 381 P CB 0.676 32.377 31.700 0.002 0.000 0.877 382 L N 2.034 123.277 121.223 0.034 0.000 2.275 382 L HA -0.126 4.214 4.340 0.000 0.000 0.215 382 L C 1.607 178.521 176.870 0.073 0.000 1.119 382 L CA 1.804 56.674 54.840 0.050 0.000 0.790 382 L CB -0.744 41.343 42.059 0.048 0.000 0.919 382 L HN 0.430 nan 8.230 nan 0.000 0.443 383 N N -0.548 118.194 118.700 0.069 0.000 2.463 383 N HA 0.123 4.863 4.740 0.000 0.000 0.183 383 N C 0.929 176.503 175.510 0.107 0.000 1.064 383 N CA 0.590 53.689 53.050 0.081 0.000 0.879 383 N CB -0.616 37.905 38.487 0.057 0.000 1.148 383 N HN 0.125 nan 8.380 nan 0.000 0.451 384 A N 0.660 123.540 122.820 0.100 0.000 2.555 384 A HA 0.065 4.385 4.320 0.000 0.000 0.233 384 A C 0.911 178.660 177.584 0.276 0.000 1.060 384 A CA 0.261 52.373 52.037 0.125 0.000 0.759 384 A CB 0.345 19.364 19.000 0.031 0.000 0.995 384 A HN 0.302 nan 8.150 nan 0.000 0.506 385 Q N 0.327 120.278 119.800 0.251 0.000 2.532 385 Q HA 0.154 4.494 4.340 0.000 0.000 0.247 385 Q C 0.812 177.005 176.000 0.322 0.000 0.872 385 Q CA 0.670 56.626 55.803 0.255 0.000 0.963 385 Q CB 0.231 29.040 28.738 0.119 0.000 1.159 385 Q HN 0.713 nan 8.270 nan 0.000 0.598 386 S N 0.226 116.063 115.700 0.228 0.000 2.654 386 S HA 0.613 5.083 4.470 0.000 0.000 0.283 386 S C -1.098 173.584 174.600 0.137 0.000 1.180 386 S CA -0.461 57.852 58.200 0.188 0.000 1.021 386 S CB 0.638 63.885 63.200 0.079 0.000 1.018 386 S HN 0.147 nan 8.310 nan 0.000 0.532 387 L N 4.746 126.006 121.223 0.062 0.000 2.617 387 L HA 0.510 4.850 4.340 0.000 0.000 0.259 387 L C -2.825 173.975 176.870 -0.117 0.000 0.995 387 L CA -1.249 53.513 54.840 -0.130 0.000 0.899 387 L CB 1.923 43.691 42.059 -0.485 0.000 1.181 387 L HN 0.384 nan 8.230 nan 0.000 0.437 388 P HA 0.418 nan 4.420 nan 0.000 0.287 388 P C -0.859 176.414 177.300 -0.045 0.000 1.294 388 P CA 0.165 63.218 63.100 -0.078 0.000 0.776 388 P CB 0.750 32.413 31.700 -0.062 0.000 0.889 389 I N 2.904 123.411 120.570 -0.105 0.000 2.389 389 I HA 0.300 4.470 4.170 0.000 0.000 0.288 389 I C 0.112 176.190 176.117 -0.065 0.000 0.999 389 I CA -0.280 60.989 61.300 -0.053 0.000 1.129 389 I CB 1.872 39.777 38.000 -0.158 0.000 1.288 389 I HN 0.145 nan 8.210 nan 0.000 0.444 390 T N 5.685 120.267 114.554 0.048 0.000 2.855 390 T HA 0.645 4.995 4.350 0.000 0.000 0.281 390 T C -0.334 174.463 174.700 0.161 0.000 1.007 390 T CA -0.460 61.695 62.100 0.091 0.000 1.009 390 T CB 2.218 71.113 68.868 0.044 0.000 0.983 390 T HN 0.220 nan 8.240 nan 0.000 0.455 391 V N 3.535 123.587 119.914 0.230 0.000 2.789 391 V HA 0.734 4.854 4.120 0.000 0.000 0.311 391 V C -0.322 175.819 176.094 0.078 0.000 1.073 391 V CA -1.179 61.224 62.300 0.171 0.000 0.921 391 V CB 2.155 34.116 31.823 0.230 0.000 1.009 391 V HN 0.943 nan 8.190 nan 0.000 0.426 392 R N 0.749 121.268 120.500 0.032 0.000 2.808 392 R HA 0.784 5.124 4.340 0.000 0.000 0.272 392 R C -0.395 175.889 176.300 -0.026 0.000 0.995 392 R CA -0.547 55.553 56.100 -0.000 0.000 0.917 392 R CB 1.900 32.205 30.300 0.010 0.000 1.217 392 R HN 0.703 nan 8.270 nan 0.000 0.471 393 T N -0.310 114.220 114.554 -0.040 0.000 2.868 393 T HA 0.219 4.569 4.350 0.000 0.000 0.292 393 T C 0.171 174.861 174.700 -0.016 0.000 1.028 393 T CA -0.603 61.458 62.100 -0.064 0.000 1.059 393 T CB 0.730 69.546 68.868 -0.086 0.000 0.991 393 T HN 0.690 nan 8.240 nan 0.000 0.531 394 N N -0.181 118.508 118.700 -0.020 0.000 2.636 394 N HA 0.103 4.843 4.740 0.000 0.000 0.287 394 N C -1.287 174.248 175.510 0.041 0.000 1.817 394 N CA -0.455 52.605 53.050 0.015 0.000 0.842 394 N CB -0.231 38.255 38.487 -0.002 0.000 1.353 394 N HN 0.885 nan 8.380 nan 0.000 0.500 395 H N -1.004 118.060 119.070 -0.010 0.000 2.767 395 H HA 0.318 4.874 4.556 0.000 0.000 0.316 395 H C 1.568 176.922 175.328 0.044 0.000 1.059 395 H CA 0.291 56.350 56.048 0.019 0.000 1.461 395 H CB 1.089 30.896 29.762 0.075 0.000 1.475 395 H HN 0.400 nan 8.280 nan 0.000 0.531 396 G N 3.424 112.403 108.800 0.298 0.000 2.586 396 G HA2 -0.207 3.753 3.960 0.000 0.000 0.215 396 G HA3 -0.207 3.753 3.960 0.000 0.000 0.215 396 G C 0.713 175.746 174.900 0.221 0.000 1.128 396 G CA 0.541 45.767 45.100 0.211 0.000 0.774 396 G HN 0.676 nan 8.290 nan 0.000 0.543 397 D N -0.453 120.122 120.400 0.291 0.000 2.379 397 D HA 0.181 4.821 4.640 0.000 0.000 0.208 397 D C 0.766 177.088 176.300 0.037 0.000 1.065 397 D CA 0.041 54.093 54.000 0.086 0.000 0.848 397 D CB 0.586 41.361 40.800 -0.042 0.000 0.949 397 D HN 0.218 nan 8.370 nan 0.000 0.509 398 L N 2.328 123.592 121.223 0.069 0.000 2.329 398 L HA 0.393 4.733 4.340 0.000 0.000 0.279 398 L C -2.172 174.721 176.870 0.038 0.000 1.014 398 L CA -1.890 52.981 54.840 0.051 0.000 0.814 398 L CB 1.755 43.862 42.059 0.081 0.000 1.257 398 L HN -0.269 nan 8.230 nan 0.000 0.424 399 P HA 0.110 nan 4.420 nan 0.000 0.268 399 P C 0.261 177.556 177.300 -0.009 0.000 1.205 399 P CA -0.271 62.822 63.100 -0.012 0.000 0.771 399 P CB 0.796 32.468 31.700 -0.046 0.000 0.858 400 R N 1.872 122.370 120.500 -0.003 0.000 2.204 400 R HA -0.204 4.136 4.340 0.000 0.000 0.253 400 R C 1.605 177.896 176.300 -0.014 0.000 1.172 400 R CA 1.795 57.895 56.100 -0.000 0.000 0.994 400 R CB -0.157 30.142 30.300 -0.002 0.000 0.874 400 R HN 0.642 nan 8.270 nan 0.000 0.462 401 E N -0.350 119.830 120.200 -0.034 0.000 2.358 401 E HA -0.070 4.280 4.350 0.000 0.000 0.195 401 E C 1.342 177.904 176.600 -0.064 0.000 1.010 401 E CA 0.370 56.739 56.400 -0.050 0.000 0.856 401 E CB 0.182 29.842 29.700 -0.068 0.000 0.795 401 E HN 0.106 nan 8.360 nan 0.000 0.504 402 R N 0.817 121.280 120.500 -0.061 0.000 2.393 402 R HA 0.153 4.493 4.340 0.000 0.000 0.244 402 R C 0.106 176.409 176.300 0.004 0.000 0.920 402 R CA 0.129 56.193 56.100 -0.061 0.000 1.076 402 R CB 0.354 30.597 30.300 -0.096 0.000 1.119 402 R HN 0.179 nan 8.270 nan 0.000 0.524 403 Q N 0.387 120.196 119.800 0.015 0.000 2.293 403 Q HA 0.412 4.752 4.340 0.000 0.000 0.251 403 Q C -0.166 175.848 176.000 0.022 0.000 0.930 403 Q CA -0.203 55.627 55.803 0.045 0.000 0.893 403 Q CB 1.705 30.463 28.738 0.034 0.000 1.215 403 Q HN 0.056 nan 8.270 nan 0.000 0.425 404 A N 1.682 124.523 122.820 0.034 0.000 2.302 404 A HA 0.626 4.946 4.320 0.000 0.000 0.285 404 A C 0.043 177.612 177.584 -0.025 0.000 1.105 404 A CA -0.135 51.898 52.037 -0.007 0.000 0.816 404 A CB 1.141 20.136 19.000 -0.010 0.000 1.067 404 A HN 0.624 nan 8.150 nan 0.000 0.489 405 T N -0.162 114.372 114.554 -0.034 0.000 2.868 405 T HA 0.629 4.979 4.350 0.000 0.000 0.306 405 T C -1.340 173.357 174.700 -0.005 0.000 1.224 405 T CA -0.553 61.538 62.100 -0.014 0.000 1.012 405 T CB 1.336 70.208 68.868 0.008 0.000 1.221 405 T HN 0.848 nan 8.240 nan 0.000 0.499 406 K N 0.993 121.431 120.400 0.064 0.000 2.551 406 K HA 0.777 5.097 4.320 0.000 0.000 0.269 406 K C -1.561 175.253 176.600 0.356 0.000 0.949 406 K CA -0.504 55.886 56.287 0.170 0.000 0.849 406 K CB 2.317 34.867 32.500 0.085 0.000 1.411 406 K HN 0.597 nan 8.250 nan 0.000 0.432 407 S N 2.060 117.922 115.700 0.270 0.000 2.599 407 S HA 0.846 5.316 4.470 0.000 0.000 0.294 407 S C -1.002 173.537 174.600 -0.103 0.000 1.094 407 S CA -0.908 57.335 58.200 0.071 0.000 0.931 407 S CB 1.148 64.356 63.200 0.013 0.000 1.093 407 S HN 0.646 nan 8.310 nan 0.000 0.488 408 M N -0.345 119.037 119.600 -0.363 0.000 2.755 408 M HA 0.732 5.212 4.480 0.000 0.000 0.273 408 M C -1.555 174.581 176.300 -0.274 0.000 1.278 408 M CA -0.628 54.441 55.300 -0.384 0.000 0.819 408 M CB 2.072 34.215 32.600 -0.763 0.000 1.694 408 M HN 0.356 nan 8.290 nan 0.000 0.460 409 T N 1.382 115.811 114.554 -0.208 0.000 2.949 409 T HA 0.759 5.109 4.350 0.000 0.000 0.300 409 T C -1.056 173.550 174.700 -0.157 0.000 0.988 409 T CA -0.548 61.461 62.100 -0.152 0.000 0.993 409 T CB 1.537 70.351 68.868 -0.090 0.000 0.984 409 T HN 0.806 nan 8.240 nan 0.000 0.442 410 A N 4.635 127.376 122.820 -0.131 0.000 2.290 410 A HA 0.771 5.091 4.320 0.000 0.000 0.310 410 A C -0.026 177.629 177.584 0.119 0.000 1.202 410 A CA -0.640 51.348 52.037 -0.081 0.000 0.837 410 A CB 0.238 19.177 19.000 -0.100 0.000 1.139 410 A HN 0.688 nan 8.150 nan 0.000 0.509 411 I N 1.235 121.789 120.570 -0.026 0.000 2.783 411 I HA 0.515 4.686 4.170 0.000 0.000 0.312 411 I C 0.987 176.956 176.117 -0.247 0.000 0.988 411 I CA -0.570 60.743 61.300 0.021 0.000 1.182 411 I CB 1.229 39.290 38.000 0.102 0.000 1.368 411 I HN 0.700 nan 8.210 nan 0.000 0.511 412 A N 3.431 125.981 122.820 -0.450 0.000 2.327 412 A HA 0.242 4.562 4.320 0.000 0.000 0.283 412 A C -0.750 176.729 177.584 -0.174 0.000 1.127 412 A CA -0.309 51.279 52.037 -0.748 0.000 0.810 412 A CB -0.003 18.657 19.000 -0.567 0.000 1.066 412 A HN 0.600 nan 8.150 nan 0.000 0.492 413 Y N 2.400 122.587 120.300 -0.189 0.000 2.496 413 Y HA 0.168 4.718 4.550 0.000 0.000 0.334 413 Y C 0.284 176.221 175.900 0.062 0.000 1.080 413 Y CA 0.069 58.158 58.100 -0.017 0.000 1.355 413 Y CB 0.534 39.051 38.460 0.096 0.000 1.193 413 Y HN 0.608 nan 8.280 nan 0.000 0.523 414 Q N 5.273 124.798 119.800 -0.458 0.000 2.296 414 Q HA 0.149 4.489 4.340 0.000 0.000 0.262 414 Q C 0.025 175.726 176.000 -0.498 0.000 0.981 414 Q CA -0.123 55.471 55.803 -0.348 0.000 0.905 414 Q CB 0.673 29.242 28.738 -0.282 0.000 1.186 414 Q HN 0.793 nan 8.270 nan 0.000 0.399 415 T N -0.196 114.218 114.554 -0.234 0.000 2.910 415 T HA 0.187 4.537 4.350 0.000 0.000 0.293 415 T C 0.303 174.910 174.700 -0.155 0.000 1.015 415 T CA -0.811 61.171 62.100 -0.196 0.000 1.094 415 T CB 1.120 69.851 68.868 -0.228 0.000 0.968 415 T HN 0.463 nan 8.240 nan 0.000 0.521 416 Q N 0.666 120.398 119.800 -0.114 0.000 2.286 416 Q HA 0.387 4.727 4.340 0.000 0.000 0.267 416 Q C 1.312 177.274 176.000 -0.063 0.000 1.028 416 Q CA 0.733 56.484 55.803 -0.086 0.000 0.901 416 Q CB -0.205 28.496 28.738 -0.062 0.000 1.183 416 Q HN 1.192 nan 8.270 nan 0.000 0.392 417 G N 3.099 111.865 108.800 -0.057 0.000 2.168 417 G HA2 -0.313 3.647 3.960 0.000 0.000 0.263 417 G HA3 -0.313 3.647 3.960 0.000 0.000 0.263 417 G C 0.638 175.516 174.900 -0.037 0.000 0.977 417 G CA 0.247 45.323 45.100 -0.040 0.000 0.659 417 G HN 1.656 nan 8.290 nan 0.000 0.533 418 G N -1.044 107.726 108.800 -0.050 0.000 2.225 418 G HA2 0.036 3.996 3.960 0.000 0.000 0.264 418 G HA3 0.036 3.996 3.960 0.000 0.000 0.264 418 G C 1.301 176.178 174.900 -0.037 0.000 1.060 418 G CA 1.460 46.536 45.100 -0.040 0.000 0.833 418 G HN 2.199 nan 8.290 nan 0.000 0.498 419 S N -1.064 114.601 115.700 -0.058 0.000 2.453 419 S HA 0.324 4.794 4.470 0.000 0.000 0.231 419 S C 2.393 176.960 174.600 -0.055 0.000 1.005 419 S CA 1.266 59.440 58.200 -0.044 0.000 0.949 419 S CB -0.003 63.175 63.200 -0.035 0.000 0.774 419 S HN 2.364 nan 8.310 nan 0.000 0.510 420 G N 1.700 110.421 108.800 -0.133 0.000 2.153 420 G HA2 -0.244 3.716 3.960 0.000 0.000 0.252 420 G HA3 -0.244 3.716 3.960 0.000 0.000 0.252 420 G C -0.311 174.435 174.900 -0.257 0.000 0.994 420 G CA 0.080 45.088 45.100 -0.154 0.000 0.698 420 G HN 0.538 nan 8.290 nan 0.000 0.521 421 N N 0.175 118.709 118.700 -0.277 0.000 2.419 421 N HA 0.599 5.339 4.740 0.000 0.000 0.264 421 N C -0.454 174.943 175.510 -0.187 0.000 1.031 421 N CA 0.145 53.148 53.050 -0.078 0.000 0.951 421 N CB 0.713 39.251 38.487 0.085 0.000 1.101 421 N HN 0.314 nan 8.380 nan 0.000 0.488 422 Y N 0.634 121.092 120.300 0.263 0.000 2.633 422 Y HA 0.643 5.193 4.550 0.000 0.000 0.339 422 Y C -0.241 175.828 175.900 0.281 0.000 1.045 422 Y CA -1.193 57.012 58.100 0.175 0.000 1.098 422 Y CB 1.530 40.062 38.460 0.121 0.000 1.296 422 Y HN 0.261 nan 8.280 nan 0.000 0.494 423 L N 1.516 122.931 121.223 0.320 0.000 2.493 423 L HA 0.529 4.869 4.340 0.000 0.000 0.265 423 L C -1.999 174.991 176.870 0.200 0.000 0.954 423 L CA -0.466 54.588 54.840 0.357 0.000 0.844 423 L CB 1.743 44.056 42.059 0.425 0.000 1.302 423 L HN 0.778 nan 8.230 nan 0.000 0.405 424 H N 3.556 122.672 119.070 0.077 0.000 2.689 424 H HA 0.782 5.338 4.556 0.000 0.000 0.346 424 H C -1.716 173.558 175.328 -0.090 0.000 1.037 424 H CA -0.595 55.446 56.048 -0.011 0.000 1.234 424 H CB 1.793 31.552 29.762 -0.005 0.000 1.572 424 H HN 0.459 nan 8.280 nan 0.000 0.524 425 V N 4.150 123.652 119.914 -0.686 0.000 2.427 425 V HA 0.792 4.912 4.120 0.000 0.000 0.286 425 V C 0.112 175.679 176.094 -0.878 0.000 1.034 425 V CA -0.158 61.710 62.300 -0.719 0.000 0.893 425 V CB 0.899 32.413 31.823 -0.515 0.000 0.982 425 V HN 0.994 nan 8.190 nan 0.000 0.452 426 A N 5.889 128.310 122.820 -0.665 0.000 2.435 426 A HA 0.954 5.274 4.320 0.000 0.000 0.304 426 A C -0.988 176.384 177.584 -0.353 0.000 1.064 426 A CA -0.597 51.176 52.037 -0.440 0.000 0.727 426 A CB 1.432 20.304 19.000 -0.213 0.000 1.284 426 A HN 0.753 nan 8.150 nan 0.000 0.415 427 I N 2.155 122.563 120.570 -0.270 0.000 2.500 427 I HA 0.241 4.411 4.170 0.000 0.000 0.286 427 I C 1.246 177.260 176.117 -0.172 0.000 1.063 427 I CA -0.426 60.728 61.300 -0.243 0.000 1.062 427 I CB 2.274 40.111 38.000 -0.271 0.000 1.223 427 I HN 0.874 nan 8.210 nan 0.000 0.435 428 T N 0.472 114.940 114.554 -0.144 0.000 2.896 428 T HA 0.037 4.387 4.350 0.000 0.000 0.263 428 T C 1.015 175.651 174.700 -0.106 0.000 1.050 428 T CA 0.404 62.438 62.100 -0.110 0.000 1.140 428 T CB 0.019 68.833 68.868 -0.090 0.000 0.877 428 T HN 0.423 nan 8.240 nan 0.000 0.457 429 S N 2.127 117.759 115.700 -0.113 0.000 2.573 429 S HA 0.447 4.917 4.470 0.000 0.000 0.277 429 S C 0.495 175.029 174.600 -0.110 0.000 1.346 429 S CA -0.104 58.034 58.200 -0.103 0.000 1.034 429 S CB 0.667 63.806 63.200 -0.102 0.000 0.879 429 S HN 0.912 nan 8.310 nan 0.000 0.528 430 T N -1.294 113.201 114.554 -0.097 0.000 2.865 430 T HA 0.571 4.921 4.350 0.000 0.000 0.294 430 T C -0.712 173.933 174.700 -0.092 0.000 1.119 430 T CA -1.066 60.974 62.100 -0.099 0.000 1.007 430 T CB 0.899 69.717 68.868 -0.085 0.000 1.225 430 T HN 0.567 nan 8.240 nan 0.000 0.515 431 E N 0.412 120.556 120.200 -0.093 0.000 2.228 431 E HA -0.147 4.203 4.350 0.000 0.000 0.213 431 E C -0.478 176.070 176.600 -0.087 0.000 1.282 431 E CA 0.113 56.464 56.400 -0.083 0.000 0.707 431 E CB -1.334 28.327 29.700 -0.065 0.000 1.150 431 E HN 0.570 nan 8.360 nan 0.000 0.362 432 I N 1.256 121.760 120.570 -0.109 0.000 2.452 432 I HA 0.110 4.280 4.170 0.000 0.000 0.287 432 I C 0.770 176.836 176.117 -0.085 0.000 1.079 432 I CA 0.363 61.605 61.300 -0.096 0.000 1.387 432 I CB 0.462 38.398 38.000 -0.107 0.000 1.404 432 I HN 0.000 nan 8.210 nan 0.000 0.522 433 K N 6.982 127.343 120.400 -0.064 0.000 2.221 433 K HA 0.521 4.841 4.320 0.000 0.000 0.243 433 K C -2.556 174.023 176.600 -0.036 0.000 0.968 433 K CA -1.809 54.446 56.287 -0.054 0.000 0.846 433 K CB 1.109 33.584 32.500 -0.043 0.000 1.141 433 K HN 0.221 nan 8.250 nan 0.000 0.434 434 P HA -0.034 nan 4.420 nan 0.000 0.267 434 P C 0.531 177.847 177.300 0.027 0.000 1.200 434 P CA 0.885 63.988 63.100 0.006 0.000 0.772 434 P CB 0.575 32.274 31.700 -0.003 0.000 0.855 435 G N 1.479 110.330 108.800 0.084 0.000 2.254 435 G HA2 -0.187 3.773 3.960 0.000 0.000 0.225 435 G HA3 -0.187 3.773 3.960 0.000 0.000 0.225 435 G C -0.050 174.798 174.900 -0.087 0.000 1.003 435 G CA -0.283 44.871 45.100 0.091 0.000 0.622 435 G HN 0.514 nan 8.290 nan 0.000 0.507 436 D N 1.671 122.011 120.400 -0.099 0.000 2.414 436 D HA 0.393 5.033 4.640 0.000 0.000 0.242 436 D C 0.300 176.440 176.300 -0.267 0.000 1.129 436 D CA 0.119 54.030 54.000 -0.149 0.000 0.885 436 D CB 0.433 41.178 40.800 -0.092 0.000 1.198 436 D HN 0.222 nan 8.370 nan 0.000 0.437 437 N N 1.704 120.250 118.700 -0.256 0.000 2.421 437 N HA 0.371 5.111 4.740 0.000 0.000 0.285 437 N C -0.927 174.499 175.510 -0.141 0.000 1.027 437 N CA -0.519 52.385 53.050 -0.244 0.000 0.918 437 N CB 1.486 39.837 38.487 -0.226 0.000 1.152 437 N HN 0.211 nan 8.380 nan 0.000 0.485 438 L N 4.584 125.738 121.223 -0.116 0.000 2.343 438 L HA 0.485 4.825 4.340 0.000 0.000 0.278 438 L C -2.430 174.372 176.870 -0.113 0.000 0.996 438 L CA -1.813 52.965 54.840 -0.103 0.000 0.831 438 L CB 1.963 43.973 42.059 -0.081 0.000 1.232 438 L HN 0.346 nan 8.230 nan 0.000 0.413 439 P HA 0.232 nan 4.420 nan 0.000 0.276 439 P C -1.107 176.083 177.300 -0.183 0.000 1.243 439 P CA -0.126 62.903 63.100 -0.119 0.000 0.768 439 P CB 0.998 32.640 31.700 -0.097 0.000 0.856 440 V N 4.385 124.169 119.914 -0.216 0.000 2.581 440 V HA 0.434 4.555 4.120 0.000 0.000 0.303 440 V C 0.027 175.941 176.094 -0.299 0.000 1.041 440 V CA -0.609 61.466 62.300 -0.376 0.000 0.907 440 V CB 1.919 33.391 31.823 -0.586 0.000 0.994 440 V HN 0.450 nan 8.190 nan 0.000 0.442 441 N N 2.725 121.180 118.700 -0.407 0.000 2.442 441 N HA 0.487 5.227 4.740 0.000 0.000 0.274 441 N C -1.363 173.903 175.510 -0.407 0.000 1.002 441 N CA -0.227 52.661 53.050 -0.271 0.000 0.910 441 N CB 1.848 40.225 38.487 -0.183 0.000 1.244 441 N HN 0.514 nan 8.380 nan 0.000 0.492 442 F N 1.401 121.172 119.950 -0.298 0.000 2.371 442 F HA 0.321 4.848 4.527 0.000 0.000 0.363 442 F C 0.729 176.380 175.800 -0.247 0.000 1.122 442 F CA -0.605 57.136 58.000 -0.431 0.000 1.129 442 F CB 0.750 39.196 39.000 -0.924 0.000 1.173 442 F HN 0.118 nan 8.300 nan 0.000 0.489 443 N N 3.032 121.737 118.700 0.008 0.000 2.392 443 N HA 0.479 5.219 4.740 0.000 0.000 0.283 443 N C -1.077 174.548 175.510 0.193 0.000 1.003 443 N CA -0.352 52.763 53.050 0.109 0.000 0.892 443 N CB 2.576 41.145 38.487 0.138 0.000 1.193 443 N HN 0.387 nan 8.380 nan 0.000 0.487 444 V N -0.351 119.685 119.914 0.203 0.000 2.628 444 V HA 0.727 4.847 4.120 0.000 0.000 0.306 444 V C -0.312 175.895 176.094 0.188 0.000 1.045 444 V CA -0.740 61.700 62.300 0.233 0.000 0.905 444 V CB 2.025 33.947 31.823 0.164 0.000 0.997 444 V HN 0.642 nan 8.190 nan 0.000 0.436 445 K N 2.553 123.098 120.400 0.240 0.000 2.498 445 K HA 0.861 5.181 4.320 0.000 0.000 0.254 445 K C -0.301 176.459 176.600 0.267 0.000 0.933 445 K CA 0.272 56.690 56.287 0.218 0.000 0.806 445 K CB 2.067 34.691 32.500 0.206 0.000 1.301 445 K HN 1.739 nan 8.250 nan 0.000 0.432 446 G N 1.831 110.745 108.800 0.190 0.000 2.356 446 G HA2 -0.025 3.935 3.960 0.000 0.000 0.266 446 G HA3 -0.025 3.935 3.960 0.000 0.000 0.266 446 G C -1.592 173.368 174.900 0.100 0.000 1.312 446 G CA -1.006 44.193 45.100 0.164 0.000 0.922 446 G HN 0.627 nan 8.290 nan 0.000 0.480 447 N N 1.005 119.750 118.700 0.075 0.000 2.412 447 N HA 0.407 5.147 4.740 0.000 0.000 0.258 447 N C 1.535 177.066 175.510 0.035 0.000 1.236 447 N CA 1.105 54.184 53.050 0.050 0.000 0.882 447 N CB 1.422 39.931 38.487 0.037 0.000 1.066 447 N HN 1.075 nan 8.380 nan 0.000 0.465 448 A N 4.218 127.056 122.820 0.029 0.000 1.908 448 A HA -0.196 4.124 4.320 0.000 0.000 0.218 448 A C 1.819 179.406 177.584 0.004 0.000 1.181 448 A CA 1.432 53.479 52.037 0.017 0.000 0.627 448 A CB -0.468 18.542 19.000 0.017 0.000 0.818 448 A HN 0.781 nan 8.150 nan 0.000 0.445 449 N N -0.051 118.652 118.700 0.006 0.000 2.364 449 N HA -0.051 4.689 4.740 0.000 0.000 0.183 449 N C 1.757 177.263 175.510 -0.008 0.000 1.022 449 N CA 1.372 54.421 53.050 -0.002 0.000 0.883 449 N CB -0.177 38.311 38.487 0.001 0.000 0.965 449 N HN 0.475 nan 8.380 nan 0.000 0.438 450 S N 0.014 115.714 115.700 -0.001 0.000 2.412 450 S HA 0.204 4.674 4.470 0.000 0.000 0.223 450 S C 1.751 176.327 174.600 -0.041 0.000 1.048 450 S CA 0.019 58.218 58.200 -0.002 0.000 0.954 450 S CB 0.093 63.314 63.200 0.035 0.000 0.840 450 S HN 0.215 nan 8.310 nan 0.000 0.503 451 L N 2.213 123.411 121.223 -0.041 0.000 2.642 451 L HA -0.087 4.253 4.340 0.000 0.000 0.236 451 L C 2.048 178.857 176.870 -0.102 0.000 1.169 451 L CA 0.903 55.691 54.840 -0.086 0.000 0.851 451 L CB -0.518 41.519 42.059 -0.038 0.000 0.968 451 L HN 0.437 nan 8.230 nan 0.000 0.453 452 K N -0.989 119.363 120.400 -0.079 0.000 2.352 452 K HA -0.000 4.320 4.320 0.000 0.000 0.194 452 K C 1.534 178.072 176.600 -0.104 0.000 1.038 452 K CA 0.119 56.359 56.287 -0.079 0.000 1.023 452 K CB 0.080 32.550 32.500 -0.048 0.000 0.840 452 K HN 0.327 nan 8.250 nan 0.000 0.519 453 Q N 1.048 120.778 119.800 -0.116 0.000 2.354 453 Q HA 0.183 4.523 4.340 0.000 0.000 0.203 453 Q C 0.411 176.275 176.000 -0.226 0.000 0.933 453 Q CA 0.149 55.871 55.803 -0.135 0.000 0.901 453 Q CB 0.117 28.799 28.738 -0.094 0.000 1.007 453 Q HN 0.290 nan 8.270 nan 0.000 0.495 454 I N 2.512 122.913 120.570 -0.282 0.000 2.769 454 I HA -0.122 4.048 4.170 0.000 0.000 0.285 454 I C 0.718 176.562 176.117 -0.455 0.000 1.173 454 I CA 0.773 61.802 61.300 -0.452 0.000 1.389 454 I CB 0.339 37.975 38.000 -0.606 0.000 1.404 454 I HN 0.094 nan 8.210 nan 0.000 0.544 455 K N 6.065 126.118 120.400 -0.578 0.000 2.402 455 K HA 0.218 4.538 4.320 0.000 0.000 0.203 455 K C -1.043 175.328 176.600 -0.382 0.000 1.077 455 K CA -0.022 55.997 56.287 -0.447 0.000 1.051 455 K CB 0.705 32.978 32.500 -0.379 0.000 0.907 455 K HN 0.651 nan 8.250 nan 0.000 0.554 456 Y N -3.449 116.650 120.300 -0.335 0.000 2.638 456 Y HA 0.438 4.988 4.550 0.000 0.000 0.334 456 Y C -1.439 174.174 175.900 -0.479 0.000 1.182 456 Y CA -1.810 56.102 58.100 -0.314 0.000 1.102 456 Y CB 0.467 38.850 38.460 -0.129 0.000 1.343 456 Y HN -0.326 nan 8.280 nan 0.000 0.463 457 F N 1.024 121.034 119.950 0.100 0.000 2.443 457 F HA 0.648 5.175 4.527 0.000 0.000 0.335 457 F C 0.174 176.000 175.800 0.044 0.000 1.104 457 F CA -0.736 57.285 58.000 0.034 0.000 1.013 457 F CB 2.412 41.236 39.000 -0.293 0.000 1.136 457 F HN 0.490 nan 8.300 nan 0.000 0.470 458 T N 3.450 118.079 114.554 0.125 0.000 2.795 458 T HA 0.441 4.791 4.350 0.000 0.000 0.282 458 T C -1.126 173.690 174.700 0.193 0.000 0.980 458 T CA -0.385 61.711 62.100 -0.007 0.000 1.012 458 T CB 0.398 69.111 68.868 -0.258 0.000 0.936 458 T HN 0.447 nan 8.240 nan 0.000 0.457 459 Y N 1.660 122.014 120.300 0.091 0.000 2.499 459 Y HA 0.847 5.398 4.550 0.000 0.000 0.347 459 Y C -1.750 174.073 175.900 -0.128 0.000 0.987 459 Y CA -1.793 56.284 58.100 -0.038 0.000 1.044 459 Y CB 0.775 39.157 38.460 -0.130 0.000 1.245 459 Y HN 0.308 nan 8.280 nan 0.000 0.461 460 L N 4.359 125.551 121.223 -0.052 0.000 2.346 460 L HA 0.488 4.829 4.340 0.000 0.000 0.274 460 L C -0.748 176.095 176.870 -0.046 0.000 1.007 460 L CA -0.768 54.057 54.840 -0.025 0.000 0.818 460 L CB 2.002 44.111 42.059 0.083 0.000 1.284 460 L HN 0.651 nan 8.230 nan 0.000 0.424 461 I N 4.674 125.288 120.570 0.073 0.000 2.442 461 I HA 0.276 4.446 4.170 0.000 0.000 0.279 461 I C -0.473 175.790 176.117 0.243 0.000 1.081 461 I CA -0.215 61.183 61.300 0.164 0.000 1.197 461 I CB 0.498 38.626 38.000 0.213 0.000 1.394 461 I HN 0.380 nan 8.210 nan 0.000 0.488 462 L N 5.965 127.338 121.223 0.249 0.000 2.290 462 L HA 0.418 4.758 4.340 0.000 0.000 0.284 462 L C 0.456 177.481 176.870 0.257 0.000 1.078 462 L CA -0.042 54.950 54.840 0.252 0.000 0.815 462 L CB 0.605 42.808 42.059 0.240 0.000 1.162 462 L HN 0.539 nan 8.230 nan 0.000 0.435 463 N N 4.400 123.230 118.700 0.216 0.000 2.519 463 N HA 0.154 4.894 4.740 0.000 0.000 0.291 463 N C -0.855 174.751 175.510 0.160 0.000 1.107 463 N CA -0.485 52.655 53.050 0.150 0.000 0.904 463 N CB 1.464 39.952 38.487 0.001 0.000 1.500 463 N HN 0.621 nan 8.380 nan 0.000 0.510 464 K N 2.587 123.089 120.400 0.170 0.000 3.167 464 K HA -0.169 4.151 4.320 0.000 0.000 0.272 464 K C 0.690 177.428 176.600 0.230 0.000 1.137 464 K CA 0.821 57.236 56.287 0.214 0.000 0.800 464 K CB -1.724 30.944 32.500 0.280 0.000 1.253 464 K HN 1.028 nan 8.250 nan 0.000 0.497 465 G N -0.145 108.783 108.800 0.213 0.000 2.205 465 G HA2 -0.350 3.610 3.960 0.000 0.000 0.261 465 G HA3 -0.350 3.610 3.960 0.000 0.000 0.261 465 G C -0.071 175.064 174.900 0.392 0.000 0.980 465 G CA 0.946 46.269 45.100 0.372 0.000 0.632 465 G HN 0.318 nan 8.290 nan 0.000 0.533 466 K N -0.028 120.539 120.400 0.278 0.000 2.259 466 K HA 0.632 4.952 4.320 0.000 0.000 0.252 466 K C 0.359 177.093 176.600 0.222 0.000 0.936 466 K CA -1.060 55.364 56.287 0.228 0.000 0.810 466 K CB 1.967 34.590 32.500 0.206 0.000 1.143 466 K HN 0.167 nan 8.250 nan 0.000 0.427 467 I N 3.380 124.057 120.570 0.179 0.000 2.598 467 I HA -0.090 4.080 4.170 0.000 0.000 0.284 467 I C 0.718 176.952 176.117 0.196 0.000 1.140 467 I CA 0.404 61.802 61.300 0.165 0.000 1.420 467 I CB 0.162 38.221 38.000 0.098 0.000 1.387 467 I HN 0.706 nan 8.210 nan 0.000 0.553 468 F N 7.427 127.407 119.950 0.050 0.000 2.557 468 F HA 0.320 4.847 4.527 0.000 0.000 0.278 468 F C 0.578 176.384 175.800 0.011 0.000 1.051 468 F CA 0.219 58.239 58.000 0.035 0.000 1.357 468 F CB 0.435 39.459 39.000 0.038 0.000 1.104 468 F HN 0.296 nan 8.300 nan 0.000 0.654 469 K N 1.066 121.358 120.400 -0.179 0.000 2.502 469 K HA 0.617 4.937 4.320 0.000 0.000 0.257 469 K C -2.120 174.397 176.600 -0.138 0.000 0.938 469 K CA -0.744 55.374 56.287 -0.282 0.000 0.819 469 K CB 2.578 34.898 32.500 -0.299 0.000 1.333 469 K HN -0.088 nan 8.250 nan 0.000 0.434 470 V N 1.602 121.390 119.914 -0.210 0.000 2.823 470 V HA 0.828 4.948 4.120 0.000 0.000 0.312 470 V C -0.001 175.800 176.094 -0.488 0.000 1.072 470 V CA -0.325 61.785 62.300 -0.316 0.000 0.937 470 V CB 1.910 33.613 31.823 -0.201 0.000 1.013 470 V HN 0.990 nan 8.190 nan 0.000 0.430 471 G N 2.936 111.160 108.800 -0.961 0.000 2.727 471 G HA2 0.753 4.714 3.960 0.000 0.000 0.289 471 G HA3 0.753 4.714 3.960 0.000 0.000 0.289 471 G C -1.793 172.735 174.900 -0.620 0.000 1.418 471 G CA -0.751 43.813 45.100 -0.893 0.000 0.818 471 G HN 0.393 nan 8.290 nan 0.000 0.486 472 R N -0.047 120.357 120.500 -0.160 0.000 2.628 472 R HA 0.537 4.877 4.340 0.000 0.000 0.288 472 R C -1.372 175.027 176.300 0.166 0.000 0.980 472 R CA -0.873 55.221 56.100 -0.010 0.000 0.891 472 R CB 2.061 32.300 30.300 -0.103 0.000 1.188 472 R HN 0.555 nan 8.270 nan 0.000 0.450 473 Q N 3.241 123.142 119.800 0.168 0.000 2.341 473 Q HA 0.449 4.789 4.340 0.000 0.000 0.268 473 Q C -2.535 173.518 176.000 0.088 0.000 1.013 473 Q CA -2.100 53.756 55.803 0.089 0.000 0.798 473 Q CB 1.879 30.517 28.738 -0.166 0.000 1.253 473 Q HN 0.203 nan 8.270 nan 0.000 0.457 474 P HA 0.224 nan 4.420 nan 0.000 0.272 474 P C -1.233 176.097 177.300 0.051 0.000 1.230 474 P CA -0.315 62.826 63.100 0.067 0.000 0.788 474 P CB 0.591 32.323 31.700 0.053 0.000 0.949 475 R N 2.200 122.698 120.500 -0.003 0.000 2.467 475 R HA 0.292 4.632 4.340 0.000 0.000 0.299 475 R C -0.532 175.750 176.300 -0.030 0.000 1.120 475 R CA -0.656 55.439 56.100 -0.007 0.000 0.940 475 R CB 0.604 30.848 30.300 -0.095 0.000 1.161 475 R HN 0.430 nan 8.270 nan 0.000 0.506 476 R N 2.180 122.680 120.500 0.001 0.000 2.449 476 R HA -0.019 4.321 4.340 0.000 0.000 0.296 476 R C -0.168 176.123 176.300 -0.015 0.000 1.047 476 R CA -0.175 55.921 56.100 -0.006 0.000 1.018 476 R CB 0.293 30.597 30.300 0.007 0.000 0.962 476 R HN 0.469 nan 8.270 nan 0.000 0.428 477 D N 1.549 121.932 120.400 -0.029 0.000 2.525 477 D HA 0.016 4.656 4.640 0.000 0.000 0.235 477 D C 1.300 177.590 176.300 -0.017 0.000 1.137 477 D CA 2.114 56.093 54.000 -0.035 0.000 0.868 477 D CB 0.629 41.407 40.800 -0.037 0.000 1.180 477 D HN 0.656 nan 8.370 nan 0.000 0.465 478 G N 3.197 111.987 108.800 -0.016 0.000 2.308 478 G HA2 -0.281 3.679 3.960 0.000 0.000 0.221 478 G HA3 -0.281 3.679 3.960 0.000 0.000 0.221 478 G C 0.277 175.185 174.900 0.012 0.000 1.032 478 G CA 0.121 45.220 45.100 -0.001 0.000 0.623 478 G HN 0.602 nan 8.290 nan 0.000 0.506 479 Q N 1.279 121.090 119.800 0.018 0.000 2.318 479 Q HA 0.172 4.512 4.340 0.000 0.000 0.270 479 Q C 1.106 177.143 176.000 0.061 0.000 1.237 479 Q CA -0.209 55.618 55.803 0.041 0.000 0.937 479 Q CB 0.232 29.001 28.738 0.051 0.000 1.375 479 Q HN 0.376 nan 8.270 nan 0.000 0.452 480 N N 1.544 120.278 118.700 0.057 0.000 2.381 480 N HA -0.028 4.712 4.740 0.000 0.000 0.182 480 N C -0.206 175.359 175.510 0.090 0.000 1.025 480 N CA 0.719 53.812 53.050 0.071 0.000 0.888 480 N CB 0.277 38.798 38.487 0.057 0.000 0.965 480 N HN 0.458 nan 8.380 nan 0.000 0.438 481 L N 0.271 121.541 121.223 0.079 0.000 2.439 481 L HA 0.474 4.814 4.340 0.000 0.000 0.270 481 L C -1.620 175.297 176.870 0.078 0.000 0.972 481 L CA -0.569 54.315 54.840 0.074 0.000 0.836 481 L CB 1.764 43.851 42.059 0.047 0.000 1.255 481 L HN -0.350 nan 8.230 nan 0.000 0.404 482 V N 3.622 123.594 119.914 0.097 0.000 2.407 482 V HA 0.448 4.568 4.120 0.000 0.000 0.291 482 V C 0.149 176.315 176.094 0.121 0.000 1.018 482 V CA -0.359 61.998 62.300 0.096 0.000 0.842 482 V CB 1.810 33.691 31.823 0.097 0.000 0.996 482 V HN 0.791 nan 8.190 nan 0.000 0.426 483 T N 6.724 121.323 114.554 0.076 0.000 2.875 483 T HA 0.622 4.972 4.350 0.000 0.000 0.284 483 T C -0.355 174.386 174.700 0.069 0.000 0.995 483 T CA -0.196 61.939 62.100 0.058 0.000 1.060 483 T CB 0.992 69.867 68.868 0.012 0.000 0.967 483 T HN 0.674 nan 8.240 nan 0.000 0.476 484 M N 3.584 123.223 119.600 0.065 0.000 2.393 484 M HA 0.505 4.985 4.480 0.000 0.000 0.299 484 M C -0.876 175.421 176.300 -0.006 0.000 1.103 484 M CA -0.848 54.487 55.300 0.058 0.000 0.910 484 M CB 1.845 34.523 32.600 0.131 0.000 1.659 484 M HN 0.549 nan 8.290 nan 0.000 0.445 485 N N 3.021 121.724 118.700 0.005 0.000 2.483 485 N HA 0.620 5.360 4.740 0.000 0.000 0.269 485 N C -1.789 173.718 175.510 -0.004 0.000 1.209 485 N CA -0.313 52.728 53.050 -0.014 0.000 0.969 485 N CB 1.082 39.569 38.487 0.001 0.000 1.173 485 N HN 0.641 nan 8.380 nan 0.000 0.475 486 L N 1.836 123.048 121.223 -0.019 0.000 2.596 486 L HA 0.294 4.634 4.340 0.000 0.000 0.265 486 L C -1.449 175.435 176.870 0.023 0.000 0.962 486 L CA -0.481 54.368 54.840 0.015 0.000 0.891 486 L CB 0.844 42.892 42.059 -0.018 0.000 1.248 486 L HN 0.814 nan 8.230 nan 0.000 0.410 487 H N 5.082 124.150 119.070 -0.003 0.000 2.803 487 H HA 0.456 5.012 4.556 0.000 0.000 0.330 487 H C -0.297 175.014 175.328 -0.027 0.000 1.057 487 H CA -0.277 55.767 56.048 -0.007 0.000 1.458 487 H CB 0.765 30.532 29.762 0.009 0.000 1.470 487 H HN 0.492 nan 8.280 nan 0.000 0.560 488 I N 6.101 126.764 120.570 0.155 0.000 2.291 488 I HA 0.075 4.245 4.170 0.000 0.000 0.290 488 I C 0.639 176.842 176.117 0.145 0.000 1.050 488 I CA -0.232 61.116 61.300 0.079 0.000 1.245 488 I CB 0.353 38.369 38.000 0.026 0.000 1.405 488 I HN 0.633 nan 8.210 nan 0.000 0.478 489 T N 3.657 118.248 114.554 0.061 0.000 2.952 489 T HA 0.454 4.804 4.350 0.000 0.000 0.286 489 T C -1.994 172.685 174.700 -0.034 0.000 1.024 489 T CA -1.988 60.130 62.100 0.030 0.000 1.029 489 T CB 1.802 70.680 68.868 0.016 0.000 1.094 489 T HN 0.209 nan 8.240 nan 0.000 0.515 490 P HA -0.017 nan 4.420 nan 0.000 0.229 490 P C 0.697 177.950 177.300 -0.079 0.000 1.150 490 P CA 0.684 63.759 63.100 -0.040 0.000 0.765 490 P CB -0.021 31.679 31.700 -0.000 0.000 0.783 491 D N -1.133 119.191 120.400 -0.128 0.000 2.269 491 D HA -0.012 4.628 4.640 0.000 0.000 0.208 491 D C 1.636 177.715 176.300 -0.368 0.000 0.963 491 D CA 0.840 54.685 54.000 -0.258 0.000 0.864 491 D CB -0.074 40.471 40.800 -0.426 0.000 0.936 491 D HN 0.272 nan 8.370 nan 0.000 0.505 492 L N 0.581 121.625 121.223 -0.298 0.000 2.567 492 L HA 0.176 4.516 4.340 0.000 0.000 0.225 492 L C 0.928 177.706 176.870 -0.154 0.000 1.119 492 L CA -0.089 54.616 54.840 -0.224 0.000 0.871 492 L CB 0.169 42.120 42.059 -0.180 0.000 1.036 492 L HN -0.140 nan 8.230 nan 0.000 0.459 493 I N 1.498 121.911 120.570 -0.262 0.000 2.752 493 I HA -0.019 4.151 4.170 0.000 0.000 0.287 493 I C -1.257 174.511 176.117 -0.581 0.000 1.188 493 I CA -1.107 59.894 61.300 -0.499 0.000 1.427 493 I CB 0.393 37.998 38.000 -0.659 0.000 1.365 493 I HN -0.115 nan 8.210 nan 0.000 0.585 494 P HA 0.008 nan 4.420 nan 0.000 0.230 494 P C -0.207 176.878 177.300 -0.357 0.000 1.168 494 P CA 0.485 63.192 63.100 -0.655 0.000 0.793 494 P CB 0.353 31.793 31.700 -0.433 0.000 0.851 495 S N -1.112 114.441 115.700 -0.245 0.000 2.595 495 S HA 0.690 5.160 4.470 0.000 0.000 0.270 495 S C -1.395 173.115 174.600 -0.150 0.000 1.145 495 S CA -0.896 57.104 58.200 -0.334 0.000 0.825 495 S CB 0.872 63.857 63.200 -0.358 0.000 1.107 495 S HN 0.046 nan 8.310 nan 0.000 0.461 496 F N -0.871 118.874 119.950 -0.341 0.000 2.662 496 F HA 0.834 5.361 4.527 0.000 0.000 0.312 496 F C -0.835 174.892 175.800 -0.122 0.000 1.113 496 F CA -1.140 56.767 58.000 -0.154 0.000 0.951 496 F CB 1.359 40.294 39.000 -0.109 0.000 1.344 496 F HN 0.747 nan 8.300 nan 0.000 0.462 497 R N 1.503 122.185 120.500 0.305 0.000 2.514 497 R HA 0.501 4.841 4.340 0.000 0.000 0.301 497 R C -2.034 174.523 176.300 0.428 0.000 0.962 497 R CA -0.835 55.427 56.100 0.270 0.000 0.882 497 R CB 2.130 32.597 30.300 0.278 0.000 1.143 497 R HN 0.788 nan 8.270 nan 0.000 0.452 498 F N 3.581 123.654 119.950 0.204 0.000 2.332 498 F HA 0.301 4.828 4.527 0.000 0.000 0.368 498 F C -0.669 175.201 175.800 0.117 0.000 1.110 498 F CA -0.607 57.510 58.000 0.194 0.000 1.087 498 F CB 1.014 40.081 39.000 0.111 0.000 1.235 498 F HN 0.072 nan 8.300 nan 0.000 0.470 499 V N 5.235 125.154 119.914 0.008 0.000 2.435 499 V HA 0.872 4.992 4.120 0.000 0.000 0.290 499 V C -0.240 175.892 176.094 0.064 0.000 1.030 499 V CA -0.634 61.695 62.300 0.048 0.000 0.881 499 V CB 1.152 32.996 31.823 0.036 0.000 0.983 499 V HN 0.869 nan 8.190 nan 0.000 0.445 500 A N 4.607 127.536 122.820 0.183 0.000 2.486 500 A HA 0.955 5.275 4.320 0.000 0.000 0.300 500 A C -1.414 176.423 177.584 0.421 0.000 1.048 500 A CA -0.582 51.670 52.037 0.359 0.000 0.696 500 A CB 1.876 21.185 19.000 0.515 0.000 1.278 500 A HN 1.362 nan 8.150 nan 0.000 0.405 501 Y N -0.334 120.203 120.300 0.396 0.000 2.625 501 Y HA 0.820 5.370 4.550 0.000 0.000 0.338 501 Y C -1.317 174.852 175.900 0.448 0.000 1.123 501 Y CA -1.562 56.733 58.100 0.324 0.000 1.046 501 Y CB 0.984 39.597 38.460 0.256 0.000 1.299 501 Y HN 1.212 nan 8.280 nan 0.000 0.464 502 Y N 0.310 120.848 120.300 0.396 0.000 2.581 502 Y HA 0.785 5.335 4.550 0.000 0.000 0.345 502 Y C -1.482 174.548 175.900 0.217 0.000 1.036 502 Y CA -1.373 56.798 58.100 0.118 0.000 1.042 502 Y CB 1.551 39.987 38.460 -0.040 0.000 1.289 502 Y HN 0.742 nan 8.280 nan 0.000 0.471 503 Q N 0.636 120.580 119.800 0.240 0.000 2.306 503 Q HA 0.778 5.118 4.340 0.000 0.000 0.265 503 Q C -1.901 174.162 176.000 0.105 0.000 1.022 503 Q CA -1.079 54.780 55.803 0.093 0.000 0.853 503 Q CB 2.376 31.022 28.738 -0.152 0.000 1.327 503 Q HN 0.605 nan 8.270 nan 0.000 0.449 504 V N 1.865 121.823 119.914 0.073 0.000 2.447 504 V HA 0.641 4.761 4.120 0.000 0.000 0.292 504 V C 0.712 176.811 176.094 0.008 0.000 1.021 504 V CA -0.190 62.146 62.300 0.059 0.000 0.850 504 V CB 0.981 32.879 31.823 0.125 0.000 1.005 504 V HN 1.112 nan 8.190 nan 0.000 0.426 505 G N 4.610 113.401 108.800 -0.015 0.000 2.249 505 G HA2 -0.291 3.670 3.960 0.000 0.000 0.273 505 G HA3 -0.291 3.670 3.960 0.000 0.000 0.273 505 G C 0.482 175.370 174.900 -0.021 0.000 1.036 505 G CA 0.397 45.486 45.100 -0.018 0.000 0.824 505 G HN 0.973 nan 8.290 nan 0.000 0.504 506 N N -1.785 116.899 118.700 -0.026 0.000 2.708 506 N HA -0.229 4.511 4.740 0.000 0.000 0.251 506 N C 0.888 176.376 175.510 -0.037 0.000 1.123 506 N CA 1.985 55.017 53.050 -0.031 0.000 0.739 506 N CB -1.277 37.191 38.487 -0.032 0.000 1.113 506 N HN 0.906 nan 8.380 nan 0.000 0.561 507 N N -0.104 118.578 118.700 -0.031 0.000 2.631 507 N HA 0.028 4.768 4.740 0.000 0.000 0.255 507 N C -0.117 175.374 175.510 -0.031 0.000 1.037 507 N CA 0.195 53.227 53.050 -0.030 0.000 0.919 507 N CB 0.553 39.026 38.487 -0.023 0.000 1.708 507 N HN 0.328 nan 8.380 nan 0.000 0.530 508 E N 0.603 120.790 120.200 -0.021 0.000 2.266 508 E HA 0.327 4.677 4.350 0.000 0.000 0.277 508 E C -0.869 175.715 176.600 -0.027 0.000 1.018 508 E CA -0.431 55.956 56.400 -0.022 0.000 0.840 508 E CB 0.828 30.524 29.700 -0.007 0.000 1.082 508 E HN 0.268 nan 8.360 nan 0.000 0.395 509 I N 4.424 124.971 120.570 -0.037 0.000 2.382 509 I HA 0.235 4.405 4.170 0.000 0.000 0.286 509 I C -0.885 175.214 176.117 -0.030 0.000 1.002 509 I CA -0.900 60.377 61.300 -0.037 0.000 1.135 509 I CB 1.790 39.743 38.000 -0.077 0.000 1.288 509 I HN 0.263 nan 8.210 nan 0.000 0.448 510 V N 5.930 125.742 119.914 -0.170 0.000 2.384 510 V HA 0.822 4.942 4.120 0.000 0.000 0.287 510 V C 0.111 176.112 176.094 -0.154 0.000 1.020 510 V CA -0.275 61.884 62.300 -0.234 0.000 0.850 510 V CB 1.396 32.833 31.823 -0.644 0.000 0.987 510 V HN 0.852 nan 8.190 nan 0.000 0.436 511 A N 3.905 126.735 122.820 0.016 0.000 2.527 511 A HA 0.938 5.258 4.320 0.000 0.000 0.293 511 A C -1.435 176.104 177.584 -0.074 0.000 1.117 511 A CA -0.506 51.558 52.037 0.044 0.000 0.723 511 A CB 2.276 21.282 19.000 0.011 0.000 1.313 511 A HN 0.726 nan 8.150 nan 0.000 0.411 512 D N -1.159 119.220 120.400 -0.036 0.000 2.622 512 D HA 0.646 5.286 4.640 0.000 0.000 0.255 512 D C -0.911 175.380 176.300 -0.015 0.000 1.246 512 D CA 0.537 54.508 54.000 -0.048 0.000 0.795 512 D CB 2.055 42.833 40.800 -0.036 0.000 1.369 512 D HN 0.939 nan 8.370 nan 0.000 0.425 513 S N 0.061 115.768 115.700 0.011 0.000 2.564 513 S HA 0.829 5.299 4.470 0.000 0.000 0.274 513 S C -1.449 173.200 174.600 0.083 0.000 1.124 513 S CA -0.671 57.565 58.200 0.060 0.000 0.869 513 S CB 1.540 64.767 63.200 0.044 0.000 1.105 513 S HN 0.320 nan 8.310 nan 0.000 0.472 514 V N 1.627 121.612 119.914 0.118 0.000 2.735 514 V HA 0.602 4.722 4.120 0.000 0.000 0.310 514 V C -1.319 174.851 176.094 0.128 0.000 1.061 514 V CA -0.675 61.671 62.300 0.078 0.000 0.913 514 V CB 1.910 33.709 31.823 -0.041 0.000 1.005 514 V HN 1.009 nan 8.190 nan 0.000 0.428 515 W N 4.588 125.835 121.300 -0.088 0.000 2.391 515 W HA 0.729 5.390 4.660 0.000 0.000 0.311 515 W C -1.018 175.335 176.519 -0.276 0.000 1.087 515 W CA -0.430 56.824 57.345 -0.151 0.000 1.209 515 W CB 1.460 30.857 29.460 -0.105 0.000 1.273 515 W HN 0.397 nan 8.180 nan 0.000 0.482 516 V N 6.135 125.352 119.914 -1.161 0.000 2.555 516 V HA 0.275 4.395 4.120 0.000 0.000 0.302 516 V C -0.547 174.572 176.094 -1.624 0.000 1.038 516 V CA -0.823 60.716 62.300 -1.268 0.000 0.887 516 V CB 1.608 32.580 31.823 -1.418 0.000 0.991 516 V HN 0.463 nan 8.190 nan 0.000 0.434 517 D N 2.307 122.003 120.400 -1.173 0.000 2.163 517 D HA 0.607 5.247 4.640 0.000 0.000 0.248 517 D C -0.853 175.139 176.300 -0.512 0.000 1.035 517 D CA -0.079 53.377 54.000 -0.907 0.000 0.872 517 D CB 2.092 42.525 40.800 -0.611 0.000 1.183 517 D HN 0.284 nan 8.370 nan 0.000 0.445 518 V N 3.327 123.005 119.914 -0.393 0.000 2.628 518 V HA 0.293 4.413 4.120 0.000 0.000 0.306 518 V C 0.276 176.230 176.094 -0.234 0.000 1.045 518 V CA -1.182 60.967 62.300 -0.252 0.000 0.905 518 V CB 1.781 33.487 31.823 -0.194 0.000 0.997 518 V HN 0.512 nan 8.190 nan 0.000 0.436 519 K N 2.859 123.156 120.400 -0.171 0.000 2.402 519 K HA 0.007 4.327 4.320 0.000 0.000 0.279 519 K C -0.497 175.991 176.600 -0.187 0.000 1.082 519 K CA -0.229 55.974 56.287 -0.140 0.000 1.080 519 K CB 0.045 32.492 32.500 -0.089 0.000 0.899 519 K HN 0.635 nan 8.250 nan 0.000 0.469 520 D N 3.788 124.061 120.400 -0.212 0.000 2.382 520 D HA 0.023 4.663 4.640 0.000 0.000 0.259 520 D C 0.586 176.835 176.300 -0.085 0.000 1.224 520 D CA 0.377 54.183 54.000 -0.324 0.000 0.894 520 D CB 1.286 41.924 40.800 -0.270 0.000 1.127 520 D HN 0.765 nan 8.370 nan 0.000 0.487 521 T N -1.160 113.380 114.554 -0.024 0.000 2.570 521 T HA 0.428 4.778 4.350 0.000 0.000 0.239 521 T C -0.147 174.749 174.700 0.327 0.000 0.829 521 T CA -0.534 61.651 62.100 0.143 0.000 1.264 521 T CB 0.326 69.226 68.868 0.053 0.000 1.546 521 T HN 0.376 nan 8.240 nan 0.000 0.465 522 C N 1.053 120.467 119.300 0.190 0.000 2.366 522 C HA 0.552 5.012 4.460 0.000 0.000 0.345 522 C C 2.200 177.281 174.990 0.152 0.000 1.209 522 C CA -0.654 58.476 59.018 0.186 0.000 2.050 522 C CB 0.213 27.995 27.740 0.071 0.000 2.359 522 C HN 0.850 nan 8.230 nan 0.000 0.527 523 M N 1.375 121.080 119.600 0.174 0.000 2.319 523 M HA 0.051 4.531 4.480 0.000 0.000 0.265 523 M C 1.291 177.629 176.300 0.063 0.000 1.068 523 M CA 1.427 56.793 55.300 0.110 0.000 1.118 523 M CB -0.248 32.430 32.600 0.131 0.000 1.395 523 M HN 0.968 nan 8.290 nan 0.000 0.435 524 G N -0.974 107.857 108.800 0.052 0.000 3.122 524 G HA2 0.533 4.493 3.960 0.000 0.000 0.180 524 G HA3 0.533 4.493 3.960 0.000 0.000 0.180 524 G C -0.924 173.989 174.900 0.022 0.000 1.279 524 G CA -0.374 44.744 45.100 0.030 0.000 0.987 524 G HN 0.095 nan 8.290 nan 0.000 0.589 525 T N -0.251 114.309 114.554 0.011 0.000 2.907 525 T HA 0.625 4.975 4.350 0.000 0.000 0.292 525 T C -1.631 173.066 174.700 -0.006 0.000 1.043 525 T CA -0.223 61.880 62.100 0.006 0.000 1.003 525 T CB 1.881 70.753 68.868 0.008 0.000 1.084 525 T HN 0.515 nan 8.240 nan 0.000 0.483 526 L N 2.506 123.723 121.223 -0.009 0.000 2.676 526 L HA 0.684 5.024 4.340 0.000 0.000 0.262 526 L C -1.890 174.973 176.870 -0.011 0.000 0.932 526 L CA -0.436 54.395 54.840 -0.016 0.000 0.932 526 L CB 1.574 43.613 42.059 -0.033 0.000 1.355 526 L HN 0.523 nan 8.230 nan 0.000 0.421 527 V N 5.290 125.200 119.914 -0.007 0.000 2.612 527 V HA 0.522 4.642 4.120 0.000 0.000 0.301 527 V C -0.567 175.524 176.094 -0.005 0.000 1.059 527 V CA -0.793 61.505 62.300 -0.004 0.000 0.886 527 V CB 2.178 34.002 31.823 0.001 0.000 1.007 527 V HN 0.437 nan 8.190 nan 0.000 0.426 528 V N 5.113 125.024 119.914 -0.006 0.000 2.432 528 V HA 0.440 4.560 4.120 0.000 0.000 0.275 528 V C 0.146 176.237 176.094 -0.004 0.000 1.043 528 V CA -0.490 61.806 62.300 -0.007 0.000 0.925 528 V CB 1.245 33.061 31.823 -0.012 0.000 0.985 528 V HN 0.797 nan 8.190 nan 0.000 0.466 529 K N 3.104 123.503 120.400 -0.002 0.000 2.324 529 K HA 0.777 5.097 4.320 0.000 0.000 0.253 529 K C 0.069 176.669 176.600 -0.000 0.000 0.932 529 K CA -0.449 55.838 56.287 -0.000 0.000 0.799 529 K CB 2.454 34.955 32.500 0.001 0.000 1.154 529 K HN 0.873 nan 8.250 nan 0.000 0.425 530 G N 0.349 109.149 108.800 0.001 0.000 2.766 530 G HA2 0.143 4.103 3.960 0.000 0.000 0.288 530 G HA3 0.143 4.103 3.960 0.000 0.000 0.288 530 G C -0.150 174.752 174.900 0.003 0.000 1.408 530 G CA -0.622 44.478 45.100 0.001 0.000 0.852 530 G HN 0.641 nan 8.290 nan 0.000 0.487 531 D N -1.085 119.317 120.400 0.003 0.000 2.277 531 D HA -0.049 4.591 4.640 0.000 0.000 0.208 531 D C 0.648 176.952 176.300 0.006 0.000 0.962 531 D CA 0.387 54.389 54.000 0.005 0.000 0.865 531 D CB -0.051 40.752 40.800 0.004 0.000 0.939 531 D HN 0.329 nan 8.370 nan 0.000 0.510 532 N N -0.430 118.275 118.700 0.007 0.000 2.882 532 N HA -0.133 4.607 4.740 0.000 0.000 0.249 532 N C -0.590 174.927 175.510 0.012 0.000 1.079 532 N CA 0.307 53.363 53.050 0.010 0.000 0.800 532 N CB -1.576 36.917 38.487 0.011 0.000 1.124 532 N HN 0.373 nan 8.380 nan 0.000 0.557 533 L N 0.804 122.033 121.223 0.011 0.000 2.416 533 L HA 0.483 4.824 4.340 0.000 0.000 0.262 533 L C 1.280 178.159 176.870 0.015 0.000 1.093 533 L CA -0.770 54.077 54.840 0.012 0.000 0.801 533 L CB 0.829 42.894 42.059 0.009 0.000 1.191 533 L HN -0.028 nan 8.230 nan 0.000 0.459 534 I N 1.313 121.893 120.570 0.017 0.000 2.696 534 I HA 0.065 4.235 4.170 0.000 0.000 0.284 534 I C -0.088 176.036 176.117 0.012 0.000 1.129 534 I CA -0.201 61.111 61.300 0.020 0.000 1.410 534 I CB 0.452 38.466 38.000 0.024 0.000 1.399 534 I HN 0.464 nan 8.210 nan 0.000 0.579 535 Q N 5.324 125.130 119.800 0.012 0.000 2.356 535 Q HA 0.482 4.822 4.340 0.000 0.000 0.270 535 Q C -0.687 175.311 176.000 -0.003 0.000 1.058 535 Q CA -0.922 54.883 55.803 0.004 0.000 0.802 535 Q CB 2.563 31.304 28.738 0.006 0.000 1.303 535 Q HN 0.484 nan 8.270 nan 0.000 0.444 536 M N 2.365 121.960 119.600 -0.008 0.000 2.248 536 M HA 0.268 4.748 4.480 0.000 0.000 0.337 536 M C -1.986 174.306 176.300 -0.013 0.000 1.121 536 M CA -1.603 53.688 55.300 -0.015 0.000 1.155 536 M CB -0.604 31.987 32.600 -0.014 0.000 1.514 536 M HN 0.161 nan 8.290 nan 0.000 0.452 537 P HA 0.221 nan 4.420 nan 0.000 0.268 537 P C 0.421 177.713 177.300 -0.012 0.000 1.205 537 P CA 0.346 63.437 63.100 -0.016 0.000 0.771 537 P CB 0.391 32.078 31.700 -0.023 0.000 0.858 538 G N 1.251 110.046 108.800 -0.008 0.000 2.272 538 G HA2 -0.000 3.960 3.960 0.000 0.000 0.280 538 G HA3 -0.000 3.960 3.960 0.000 0.000 0.280 538 G C 0.251 175.148 174.900 -0.006 0.000 1.067 538 G CA -0.059 45.036 45.100 -0.007 0.000 0.902 538 G HN 0.815 nan 8.290 nan 0.000 0.500 539 A N -0.485 122.332 122.820 -0.005 0.000 2.294 539 A HA 1.006 5.326 4.320 0.000 0.000 0.330 539 A C 0.759 178.341 177.584 -0.003 0.000 1.133 539 A CA 0.390 52.425 52.037 -0.005 0.000 0.836 539 A CB 1.136 20.134 19.000 -0.004 0.000 1.190 539 A HN 2.126 nan 8.150 nan 0.000 0.492 540 A N 1.964 124.782 122.820 -0.003 0.000 2.450 540 A HA 0.577 4.897 4.320 0.000 0.000 0.255 540 A C 0.054 177.637 177.584 -0.002 0.000 1.096 540 A CA 0.245 52.281 52.037 -0.002 0.000 0.778 540 A CB -0.201 18.798 19.000 -0.002 0.000 1.031 540 A HN 0.737 nan 8.150 nan 0.000 0.494 541 M N 1.785 121.384 119.600 -0.002 0.000 2.530 541 M HA 0.434 4.914 4.480 0.000 0.000 0.307 541 M C -0.680 175.619 176.300 -0.001 0.000 1.161 541 M CA -0.233 55.066 55.300 -0.002 0.000 0.903 541 M CB 2.174 34.773 32.600 -0.002 0.000 1.711 541 M HN 0.689 nan 8.290 nan 0.000 0.451 542 K N 3.347 123.746 120.400 -0.001 0.000 2.471 542 K HA 0.767 5.087 4.320 0.000 0.000 0.252 542 K C -1.028 175.572 176.600 -0.001 0.000 0.938 542 K CA -0.538 55.748 56.287 -0.001 0.000 0.796 542 K CB 2.546 35.046 32.500 -0.000 0.000 1.161 542 K HN 0.724 nan 8.250 nan 0.000 0.425 543 I N -1.194 119.375 120.570 -0.002 0.000 2.608 543 I HA 0.499 4.670 4.170 0.000 0.000 0.295 543 I C -0.958 175.158 176.117 -0.001 0.000 1.049 543 I CA -1.031 60.268 61.300 -0.002 0.000 1.063 543 I CB 1.947 39.944 38.000 -0.004 0.000 1.248 543 I HN 0.253 nan 8.210 nan 0.000 0.424 544 K N 6.007 126.407 120.400 -0.001 0.000 2.183 544 K HA 0.577 4.897 4.320 0.000 0.000 0.274 544 K C -1.144 175.456 176.600 -0.000 0.000 1.009 544 K CA -0.616 55.671 56.287 0.000 0.000 0.888 544 K CB 2.149 34.649 32.500 0.001 0.000 1.078 544 K HN 0.574 nan 8.250 nan 0.000 0.459 545 L N 3.534 124.757 121.223 0.000 0.000 2.272 545 L HA 0.279 4.619 4.340 0.000 0.000 0.289 545 L C -0.076 176.794 176.870 0.001 0.000 1.032 545 L CA -0.306 54.535 54.840 0.000 0.000 0.810 545 L CB 0.884 42.944 42.059 0.002 0.000 1.205 545 L HN 0.529 nan 8.230 nan 0.000 0.422 546 E N 2.883 123.083 120.200 -0.000 0.000 2.191 546 E HA 0.694 5.044 4.350 0.000 0.000 0.263 546 E C -0.182 176.418 176.600 -0.000 0.000 0.881 546 E CA -0.506 55.895 56.400 0.001 0.000 0.757 546 E CB 2.591 32.292 29.700 0.002 0.000 1.147 546 E HN 0.758 nan 8.360 nan 0.000 0.414 547 G N 2.345 111.146 108.800 0.001 0.000 2.570 547 G HA2 0.143 4.103 3.960 0.000 0.000 0.310 547 G HA3 0.143 4.103 3.960 0.000 0.000 0.310 547 G C -1.323 173.579 174.900 0.003 0.000 1.266 547 G CA -0.724 44.376 45.100 0.000 0.000 0.825 547 G HN 0.362 nan 8.290 nan 0.000 0.483 548 D N 1.210 121.612 120.400 0.004 0.000 2.341 548 D HA 0.413 5.053 4.640 0.000 0.000 0.245 548 D C -2.054 174.251 176.300 0.007 0.000 1.106 548 D CA -0.510 53.494 54.000 0.007 0.000 0.905 548 D CB 1.106 41.912 40.800 0.010 0.000 1.202 548 D HN -0.044 nan 8.370 nan 0.000 0.426 549 P HA 0.146 nan 4.420 nan 0.000 0.263 549 P C 0.684 177.988 177.300 0.007 0.000 1.195 549 P CA 0.336 63.440 63.100 0.007 0.000 0.762 549 P CB 0.434 32.138 31.700 0.008 0.000 0.799 550 G N 1.969 110.772 108.800 0.005 0.000 2.136 550 G HA2 -0.105 3.855 3.960 0.000 0.000 0.242 550 G HA3 -0.105 3.855 3.960 0.000 0.000 0.242 550 G C 0.378 175.280 174.900 0.003 0.000 0.989 550 G CA -0.142 44.959 45.100 0.003 0.000 0.682 550 G HN 0.852 nan 8.290 nan 0.000 0.522 551 A N -0.136 122.689 122.820 0.007 0.000 2.401 551 A HA 0.705 5.025 4.320 0.000 0.000 0.259 551 A C 0.720 178.316 177.584 0.020 0.000 1.103 551 A CA 0.375 52.419 52.037 0.011 0.000 0.789 551 A CB 0.352 19.356 19.000 0.007 0.000 1.035 551 A HN 0.815 nan 8.150 nan 0.000 0.491 552 R N 2.892 123.414 120.500 0.037 0.000 2.233 552 R HA 0.478 4.819 4.340 0.000 0.000 0.334 552 R C -1.553 174.801 176.300 0.089 0.000 1.037 552 R CA -0.270 55.866 56.100 0.061 0.000 0.920 552 R CB 0.500 30.845 30.300 0.075 0.000 1.137 552 R HN 0.464 nan 8.270 nan 0.000 0.492 553 V N 4.060 124.014 119.914 0.067 0.000 2.383 553 V HA 0.427 4.547 4.120 0.000 0.000 0.275 553 V C 0.723 176.872 176.094 0.093 0.000 1.036 553 V CA -0.612 61.727 62.300 0.065 0.000 0.889 553 V CB 1.499 33.340 31.823 0.030 0.000 0.985 553 V HN 0.889 nan 8.190 nan 0.000 0.459 554 G N 5.499 114.386 108.800 0.144 0.000 2.322 554 G HA2 0.624 4.584 3.960 0.000 0.000 0.309 554 G HA3 0.624 4.584 3.960 0.000 0.000 0.309 554 G C -0.693 174.264 174.900 0.094 0.000 1.121 554 G CA -0.435 44.754 45.100 0.148 0.000 0.886 554 G HN 0.550 nan 8.290 nan 0.000 0.447 555 L N 1.543 122.800 121.223 0.057 0.000 2.332 555 L HA 0.827 5.167 4.340 0.000 0.000 0.269 555 L C -0.387 176.498 176.870 0.025 0.000 1.016 555 L CA -1.188 53.670 54.840 0.031 0.000 0.809 555 L CB 2.195 44.264 42.059 0.016 0.000 1.280 555 L HN 0.361 nan 8.230 nan 0.000 0.447 556 V N 0.555 120.474 119.914 0.009 0.000 3.036 556 V HA 0.682 4.802 4.120 0.000 0.000 0.288 556 V C -1.420 174.661 176.094 -0.022 0.000 1.407 556 V CA -0.364 61.937 62.300 0.003 0.000 0.983 556 V CB 2.125 33.959 31.823 0.019 0.000 1.128 556 V HN 0.862 nan 8.190 nan 0.000 0.439 557 A N 5.500 128.307 122.820 -0.023 0.000 2.303 557 A HA 0.893 5.213 4.320 0.000 0.000 0.320 557 A C -1.078 176.483 177.584 -0.039 0.000 1.192 557 A CA -0.501 51.511 52.037 -0.041 0.000 0.821 557 A CB 1.632 20.615 19.000 -0.028 0.000 1.188 557 A HN 1.176 nan 8.150 nan 0.000 0.492 558 V N 2.802 122.674 119.914 -0.070 0.000 2.540 558 V HA 0.248 4.368 4.120 0.000 0.000 0.302 558 V C -0.199 175.875 176.094 -0.033 0.000 1.035 558 V CA -0.838 61.436 62.300 -0.044 0.000 0.873 558 V CB 1.841 33.639 31.823 -0.041 0.000 0.992 558 V HN 0.983 nan 8.190 nan 0.000 0.428 559 D N 3.317 123.721 120.400 0.006 0.000 2.458 559 D HA -0.000 4.640 4.640 0.000 0.000 0.243 559 D C 1.003 177.339 176.300 0.060 0.000 1.146 559 D CA 0.227 54.244 54.000 0.028 0.000 0.877 559 D CB 1.019 41.839 40.800 0.033 0.000 1.176 559 D HN 0.532 nan 8.370 nan 0.000 0.461 560 K N 2.785 123.229 120.400 0.072 0.000 2.442 560 K HA -0.131 4.189 4.320 0.000 0.000 0.198 560 K C 1.571 178.242 176.600 0.119 0.000 1.044 560 K CA 0.651 57.018 56.287 0.133 0.000 0.948 560 K CB 0.037 32.608 32.500 0.118 0.000 0.762 560 K HN 0.507 nan 8.250 nan 0.000 0.472 561 A N 0.877 123.746 122.820 0.081 0.000 1.883 561 A HA -0.113 4.207 4.320 0.000 0.000 0.217 561 A C 1.388 179.009 177.584 0.062 0.000 1.186 561 A CA 1.630 53.700 52.037 0.054 0.000 0.624 561 A CB -0.407 18.616 19.000 0.039 0.000 0.822 561 A HN 0.222 nan 8.150 nan 0.000 0.444 562 V N -4.411 115.550 119.914 0.079 0.000 3.336 562 V HA 0.526 4.646 4.120 0.000 0.000 0.314 562 V C 0.762 176.967 176.094 0.184 0.000 1.088 562 V CA 0.438 62.793 62.300 0.091 0.000 1.033 562 V CB 1.288 33.142 31.823 0.052 0.000 1.181 562 V HN 1.243 nan 8.190 nan 0.000 0.449 563 Y N 0.477 120.782 120.300 0.009 0.000 3.297 563 Y HA -0.275 4.275 4.550 0.000 0.000 0.442 563 Y C 1.189 177.095 175.900 0.010 0.000 1.265 563 Y CA 2.289 60.398 58.100 0.016 0.000 2.337 563 Y CB -1.798 36.671 38.460 0.015 0.000 0.876 563 Y HN 0.310 nan 8.280 nan 0.000 0.487 564 V N 1.525 121.423 119.914 -0.026 0.000 2.719 564 V HA -0.004 4.116 4.120 0.000 0.000 0.252 564 V C 1.239 177.268 176.094 -0.107 0.000 1.065 564 V CA 1.450 63.688 62.300 -0.102 0.000 1.086 564 V CB -0.177 31.636 31.823 -0.016 0.000 0.700 564 V HN 0.224 nan 8.190 nan 0.000 0.467 565 L N 1.010 122.201 121.223 -0.053 0.000 2.312 565 L HA 0.401 4.741 4.340 0.000 0.000 0.281 565 L C 0.403 177.233 176.870 -0.068 0.000 1.070 565 L CA -0.285 54.527 54.840 -0.047 0.000 0.805 565 L CB 0.771 42.839 42.059 0.016 0.000 1.174 565 L HN 0.321 nan 8.230 nan 0.000 0.434 566 N N 1.880 120.505 118.700 -0.125 0.000 2.738 566 N HA -0.184 4.557 4.740 0.000 0.000 0.249 566 N C 0.484 175.888 175.510 -0.177 0.000 1.047 566 N CA 0.541 53.464 53.050 -0.212 0.000 0.707 566 N CB -0.755 37.696 38.487 -0.060 0.000 0.937 566 N HN 0.659 nan 8.380 nan 0.000 0.545 567 D N 0.571 120.861 120.400 -0.183 0.000 2.228 567 D HA -0.154 4.486 4.640 0.000 0.000 0.203 567 D C 1.636 177.871 176.300 -0.108 0.000 0.988 567 D CA 1.171 55.078 54.000 -0.154 0.000 0.864 567 D CB 0.185 40.888 40.800 -0.162 0.000 0.928 567 D HN 0.637 nan 8.370 nan 0.000 0.469 568 K N -0.273 120.006 120.400 -0.202 0.000 2.211 568 K HA -0.164 4.156 4.320 0.000 0.000 0.204 568 K C 1.593 178.204 176.600 0.020 0.000 1.047 568 K CA 0.890 57.073 56.287 -0.173 0.000 0.935 568 K CB -0.184 32.101 32.500 -0.359 0.000 0.728 568 K HN 0.260 nan 8.250 nan 0.000 0.452 569 Y N 1.372 121.713 120.300 0.068 0.000 2.510 569 Y HA 0.158 4.708 4.550 0.000 0.000 0.273 569 Y C 0.963 176.963 175.900 0.167 0.000 1.119 569 Y CA -0.685 57.506 58.100 0.151 0.000 1.286 569 Y CB -0.295 38.277 38.460 0.187 0.000 1.061 569 Y HN -0.045 nan 8.280 nan 0.000 0.542 570 K N 1.178 121.726 120.400 0.246 0.000 2.380 570 K HA 0.115 4.435 4.320 0.000 0.000 0.267 570 K C -0.178 176.537 176.600 0.192 0.000 0.990 570 K CA -0.146 56.260 56.287 0.199 0.000 0.946 570 K CB 0.289 32.861 32.500 0.121 0.000 0.937 570 K HN 0.100 nan 8.250 nan 0.000 0.491 571 I N 2.615 123.292 120.570 0.178 0.000 2.472 571 I HA 0.073 4.243 4.170 0.000 0.000 0.290 571 I C -0.338 175.812 176.117 0.054 0.000 1.016 571 I CA 0.252 61.633 61.300 0.135 0.000 1.348 571 I CB 1.162 39.234 38.000 0.120 0.000 1.417 571 I HN 0.857 nan 8.210 nan 0.000 0.521 572 S N 4.431 120.128 115.700 -0.004 0.000 2.618 572 S HA 0.269 4.739 4.470 0.000 0.000 0.277 572 S C 0.087 174.598 174.600 -0.149 0.000 1.138 572 S CA -0.724 57.452 58.200 -0.041 0.000 0.844 572 S CB 1.722 64.928 63.200 0.011 0.000 1.127 572 S HN 0.597 nan 8.310 nan 0.000 0.474 573 Q N 0.944 120.662 119.800 -0.137 0.000 2.170 573 Q HA 0.101 4.441 4.340 0.000 0.000 0.203 573 Q C 2.034 177.932 176.000 -0.170 0.000 0.976 573 Q CA 2.337 58.009 55.803 -0.217 0.000 0.858 573 Q CB -0.874 27.819 28.738 -0.075 0.000 0.907 573 Q HN 0.908 nan 8.270 nan 0.000 0.433 574 A N 0.117 122.930 122.820 -0.012 0.000 1.897 574 A HA -0.143 4.177 4.320 0.000 0.000 0.215 574 A C 1.983 179.598 177.584 0.051 0.000 1.181 574 A CA 1.468 53.556 52.037 0.085 0.000 0.620 574 A CB -0.369 18.686 19.000 0.091 0.000 0.821 574 A HN 0.330 nan 8.150 nan 0.000 0.443 575 K N -0.493 119.915 120.400 0.013 0.000 2.147 575 K HA -0.044 4.276 4.320 0.000 0.000 0.205 575 K C 1.737 178.356 176.600 0.032 0.000 1.049 575 K CA 1.273 57.605 56.287 0.074 0.000 0.936 575 K CB -0.303 32.275 32.500 0.131 0.000 0.722 575 K HN 0.536 nan 8.250 nan 0.000 0.446 576 I N -0.630 119.770 120.570 -0.282 0.000 2.142 576 I HA -0.288 3.882 4.170 0.000 0.000 0.240 576 I C 1.829 177.748 176.117 -0.330 0.000 1.078 576 I CA 1.512 62.398 61.300 -0.689 0.000 1.343 576 I CB -0.162 37.048 38.000 -1.318 0.000 1.046 576 I HN 0.344 nan 8.210 nan 0.000 0.405 577 W N 0.602 121.829 121.300 -0.123 0.000 2.402 577 W HA -0.221 4.439 4.660 0.000 0.000 0.286 577 W C 2.161 178.659 176.519 -0.035 0.000 1.221 577 W CA 0.522 57.815 57.345 -0.086 0.000 1.257 577 W CB -0.294 29.125 29.460 -0.069 0.000 1.120 577 W HN 0.163 nan 8.180 nan 0.000 0.551 578 D N -0.601 119.931 120.400 0.220 0.000 2.224 578 D HA -0.129 4.511 4.640 0.000 0.000 0.205 578 D C 1.940 178.326 176.300 0.143 0.000 0.965 578 D CA 1.615 55.713 54.000 0.163 0.000 0.852 578 D CB -0.001 40.885 40.800 0.144 0.000 0.947 578 D HN -0.084 nan 8.370 nan 0.000 0.494 579 T N 0.474 115.135 114.554 0.177 0.000 2.770 579 T HA -0.073 4.277 4.350 0.000 0.000 0.263 579 T C 1.962 176.671 174.700 0.014 0.000 1.039 579 T CA 0.562 62.769 62.100 0.178 0.000 1.142 579 T CB -0.019 69.061 68.868 0.353 0.000 0.868 579 T HN 0.104 nan 8.240 nan 0.000 0.435 580 I N 2.089 122.575 120.570 -0.141 0.000 2.118 580 I HA -0.170 4.000 4.170 0.000 0.000 0.241 580 I C 2.572 178.616 176.117 -0.123 0.000 1.070 580 I CA 1.543 62.583 61.300 -0.434 0.000 1.327 580 I CB -1.317 36.541 38.000 -0.237 0.000 1.034 580 I HN 0.289 nan 8.210 nan 0.000 0.405 581 E N 0.977 121.187 120.200 0.017 0.000 2.110 581 E HA -0.191 4.159 4.350 0.000 0.000 0.193 581 E C 1.986 178.601 176.600 0.024 0.000 0.988 581 E CA 0.884 57.314 56.400 0.050 0.000 0.804 581 E CB -0.160 29.592 29.700 0.088 0.000 0.745 581 E HN 0.480 nan 8.360 nan 0.000 0.458 582 K N 0.304 120.725 120.400 0.034 0.000 2.439 582 K HA 0.063 4.383 4.320 0.000 0.000 0.197 582 K C 1.698 178.320 176.600 0.037 0.000 1.041 582 K CA 0.342 56.651 56.287 0.037 0.000 0.970 582 K CB 0.148 32.685 32.500 0.062 0.000 0.773 582 K HN -0.076 nan 8.250 nan 0.000 0.479 583 S N 0.786 116.504 115.700 0.029 0.000 2.540 583 S HA -0.004 4.466 4.470 0.000 0.000 0.218 583 S C 0.222 174.711 174.600 -0.185 0.000 0.977 583 S CA -0.436 57.779 58.200 0.025 0.000 0.918 583 S CB 0.152 63.497 63.200 0.241 0.000 0.806 583 S HN 0.274 nan 8.310 nan 0.000 0.496 584 D N 0.446 120.770 120.400 -0.127 0.000 2.472 584 D HA 0.050 4.690 4.640 0.000 0.000 0.237 584 D C 0.318 176.525 176.300 -0.155 0.000 1.141 584 D CA 0.142 54.043 54.000 -0.166 0.000 0.875 584 D CB 0.284 41.086 40.800 0.004 0.000 1.192 584 D HN 0.033 nan 8.370 nan 0.000 0.450 585 F N 0.968 121.000 119.950 0.137 0.000 2.569 585 F HA 0.244 4.771 4.527 0.000 0.000 0.295 585 F C 1.837 177.695 175.800 0.097 0.000 1.115 585 F CA 0.159 58.224 58.000 0.109 0.000 1.450 585 F CB -0.549 38.514 39.000 0.106 0.000 1.107 585 F HN 0.318 nan 8.300 nan 0.000 0.563 586 G N -0.886 108.063 108.800 0.248 0.000 2.380 586 G HA2 0.257 4.217 3.960 0.000 0.000 0.262 586 G HA3 0.257 4.217 3.960 0.000 0.000 0.262 586 G C 0.278 175.233 174.900 0.092 0.000 1.243 586 G CA -0.300 44.903 45.100 0.172 0.000 0.865 586 G HN 0.358 nan 8.290 nan 0.000 0.513 587 c N 1.134 119.779 118.600 0.076 0.000 2.865 587 c HA 0.352 4.922 4.570 0.000 0.000 0.280 587 c C 1.540 175.620 174.090 -0.016 0.000 1.255 587 c CA 0.540 56.890 56.329 0.034 0.000 1.705 587 c CB -1.133 41.416 42.510 0.066 0.000 2.080 587 c HN 0.929 nan 8.230 nan 0.000 0.591 588 T N -2.900 111.649 114.554 -0.009 0.000 2.887 588 T HA 0.652 5.002 4.350 0.000 0.000 0.292 588 T C 0.516 175.181 174.700 -0.059 0.000 1.087 588 T CA 0.272 62.359 62.100 -0.022 0.000 1.009 588 T CB 1.632 70.545 68.868 0.075 0.000 1.203 588 T HN -0.025 nan 8.240 nan 0.000 0.518 589 A N -0.117 122.674 122.820 -0.048 0.000 2.208 589 A HA 0.686 5.007 4.320 0.000 0.000 0.209 589 A C 1.243 178.897 177.584 0.117 0.000 1.161 589 A CA 0.677 52.696 52.037 -0.030 0.000 0.782 589 A CB -1.007 17.974 19.000 -0.033 0.000 0.816 589 A HN 1.928 nan 8.150 nan 0.000 0.477 590 G N -2.754 106.127 108.800 0.135 0.000 2.350 590 G HA2 0.500 4.461 3.960 0.000 0.000 0.304 590 G HA3 0.500 4.461 3.960 0.000 0.000 0.304 590 G C -0.092 174.927 174.900 0.197 0.000 1.421 590 G CA 0.141 45.334 45.100 0.156 0.000 0.934 590 G HN 1.495 nan 8.290 nan 0.000 0.632 591 S N -2.109 113.686 115.700 0.158 0.000 3.307 591 S HA 0.393 4.863 4.470 0.000 0.000 0.634 591 S C 0.781 175.466 174.600 0.142 0.000 2.711 591 S CA 1.860 60.161 58.200 0.169 0.000 2.940 591 S CB -0.946 62.419 63.200 0.274 0.000 0.331 591 S HN 2.982 nan 8.310 nan 0.000 1.766 592 G N -0.643 108.172 108.800 0.026 0.000 2.506 592 G HA2 0.489 4.449 3.960 0.000 0.000 0.292 592 G HA3 0.489 4.449 3.960 0.000 0.000 0.292 592 G C -0.300 174.025 174.900 -0.959 0.000 1.425 592 G CA 0.632 45.496 45.100 -0.393 0.000 0.788 592 G HN 0.865 nan 8.290 nan 0.000 0.490 593 Q N -0.417 118.649 119.800 -1.223 0.000 2.297 593 Q HA 0.015 4.355 4.340 0.000 0.000 0.208 593 Q C 0.882 176.567 176.000 -0.524 0.000 0.981 593 Q CA 2.552 57.841 55.803 -0.856 0.000 0.876 593 Q CB -0.185 28.313 28.738 -0.400 0.000 0.921 593 Q HN 0.820 nan 8.270 nan 0.000 0.446 594 N N -3.100 115.319 118.700 -0.468 0.000 3.395 594 N HA 0.022 4.762 4.740 0.000 0.000 0.293 594 N C -0.151 175.223 175.510 -0.226 0.000 1.489 594 N CA -0.101 52.551 53.050 -0.662 0.000 0.871 594 N CB -0.315 37.903 38.487 -0.448 0.000 1.649 594 N HN -0.058 nan 8.380 nan 0.000 0.501 595 N N 0.367 118.987 118.700 -0.135 0.000 2.061 595 N HA -0.171 4.569 4.740 0.000 0.000 0.193 595 N C 1.239 176.879 175.510 0.218 0.000 1.030 595 N CA 1.842 54.996 53.050 0.173 0.000 0.856 595 N CB -0.762 37.814 38.487 0.147 0.000 1.023 595 N HN 0.589 nan 8.380 nan 0.000 0.424 596 L N -0.196 121.092 121.223 0.110 0.000 2.083 596 L HA -0.002 4.338 4.340 0.000 0.000 0.209 596 L C 2.537 179.493 176.870 0.144 0.000 1.083 596 L CA 1.399 56.324 54.840 0.141 0.000 0.752 596 L CB -0.880 41.193 42.059 0.024 0.000 0.899 596 L HN 0.420 nan 8.230 nan 0.000 0.433 597 G N -1.038 107.782 108.800 0.033 0.000 2.471 597 G HA2 -0.132 3.828 3.960 0.000 0.000 0.219 597 G HA3 -0.132 3.828 3.960 0.000 0.000 0.219 597 G C 1.575 176.483 174.900 0.014 0.000 1.125 597 G CA 0.427 45.519 45.100 -0.013 0.000 0.775 597 G HN 0.189 nan 8.290 nan 0.000 0.548 598 V N 0.081 120.009 119.914 0.024 0.000 2.453 598 V HA -0.022 4.098 4.120 0.000 0.000 0.247 598 V C 2.401 178.425 176.094 -0.116 0.000 1.048 598 V CA 1.276 63.537 62.300 -0.064 0.000 1.049 598 V CB -0.459 31.270 31.823 -0.157 0.000 0.672 598 V HN 0.352 nan 8.190 nan 0.000 0.457 599 F N 0.624 120.609 119.950 0.058 0.000 2.098 599 F HA -0.074 4.453 4.527 0.000 0.000 0.294 599 F C 2.432 178.266 175.800 0.057 0.000 1.107 599 F CA 1.539 59.572 58.000 0.056 0.000 1.234 599 F CB -0.716 38.297 39.000 0.022 0.000 1.002 599 F HN 0.130 nan 8.300 nan 0.000 0.472 600 E N 0.299 120.640 120.200 0.234 0.000 2.086 600 E HA -0.272 4.078 4.350 0.000 0.000 0.200 600 E C 1.632 178.310 176.600 0.130 0.000 1.012 600 E CA 1.870 58.356 56.400 0.144 0.000 0.812 600 E CB -0.369 29.390 29.700 0.098 0.000 0.743 600 E HN 0.358 nan 8.360 nan 0.000 0.453 601 D N -0.248 120.220 120.400 0.114 0.000 2.224 601 D HA -0.042 4.598 4.640 0.000 0.000 0.205 601 D C 1.366 177.739 176.300 0.121 0.000 0.965 601 D CA 1.013 55.079 54.000 0.111 0.000 0.852 601 D CB -0.030 40.836 40.800 0.109 0.000 0.947 601 D HN 0.185 nan 8.370 nan 0.000 0.494 602 A N -0.390 122.506 122.820 0.127 0.000 2.278 602 A HA 0.464 4.785 4.320 0.000 0.000 0.212 602 A C 1.486 179.185 177.584 0.191 0.000 1.213 602 A CA 0.674 52.800 52.037 0.149 0.000 0.840 602 A CB -0.302 18.769 19.000 0.118 0.000 0.866 602 A HN 0.185 nan 8.150 nan 0.000 0.489 603 G N -0.719 108.196 108.800 0.192 0.000 2.248 603 G HA2 -0.175 3.785 3.960 0.000 0.000 0.263 603 G HA3 -0.175 3.785 3.960 0.000 0.000 0.263 603 G C -0.234 174.781 174.900 0.191 0.000 1.082 603 G CA 0.426 45.657 45.100 0.218 0.000 0.863 603 G HN 0.472 nan 8.290 nan 0.000 0.495 604 L N -0.813 120.524 121.223 0.191 0.000 2.333 604 L HA 0.911 5.251 4.340 0.000 0.000 0.263 604 L C 0.366 177.314 176.870 0.131 0.000 1.014 604 L CA -0.862 54.094 54.840 0.193 0.000 0.820 604 L CB 2.272 44.532 42.059 0.334 0.000 1.352 604 L HN 0.423 nan 8.230 nan 0.000 0.421 605 A N 1.978 124.829 122.820 0.052 0.000 2.365 605 A HA 0.843 5.163 4.320 0.000 0.000 0.318 605 A C -1.528 175.982 177.584 -0.123 0.000 1.091 605 A CA -0.404 51.617 52.037 -0.027 0.000 0.763 605 A CB 1.837 20.815 19.000 -0.037 0.000 1.248 605 A HN 0.526 nan 8.150 nan 0.000 0.442 606 L N 1.216 122.314 121.223 -0.209 0.000 2.422 606 L HA 0.870 5.210 4.340 0.000 0.000 0.264 606 L C -0.499 176.246 176.870 -0.208 0.000 0.984 606 L CA 0.177 54.828 54.840 -0.315 0.000 0.819 606 L CB 2.451 44.091 42.059 -0.700 0.000 1.330 606 L HN 0.728 nan 8.230 nan 0.000 0.410 607 T N 2.144 116.604 114.554 -0.156 0.000 2.893 607 T HA 0.806 5.156 4.350 0.000 0.000 0.293 607 T C -0.706 173.949 174.700 -0.075 0.000 1.027 607 T CA 0.253 62.294 62.100 -0.099 0.000 0.988 607 T CB 1.118 69.953 68.868 -0.056 0.000 1.043 607 T HN 0.982 nan 8.240 nan 0.000 0.461 608 T N 0.093 114.615 114.554 -0.054 0.000 2.930 608 T HA 0.485 4.835 4.350 0.000 0.000 0.290 608 T C 1.400 176.113 174.700 0.022 0.000 1.052 608 T CA -0.118 61.972 62.100 -0.017 0.000 1.017 608 T CB 1.359 70.199 68.868 -0.047 0.000 1.137 608 T HN 0.531 nan 8.240 nan 0.000 0.511 609 S N -0.276 115.461 115.700 0.062 0.000 2.481 609 S HA -0.070 4.400 4.470 0.000 0.000 0.231 609 S C 1.866 176.485 174.600 0.032 0.000 0.996 609 S CA 0.943 59.193 58.200 0.083 0.000 0.942 609 S CB -1.061 62.235 63.200 0.159 0.000 0.768 609 S HN 1.058 nan 8.310 nan 0.000 0.520 610 T N -0.505 114.050 114.554 0.003 0.000 3.129 610 T HA 0.150 4.500 4.350 0.000 0.000 0.251 610 T C 0.518 175.209 174.700 -0.015 0.000 1.117 610 T CA -0.023 62.070 62.100 -0.011 0.000 1.034 610 T CB -0.683 68.170 68.868 -0.026 0.000 0.968 610 T HN 0.296 nan 8.240 nan 0.000 0.526 611 N N 0.400 119.093 118.700 -0.013 0.000 2.756 611 N HA -0.115 4.625 4.740 0.000 0.000 0.248 611 N C -0.961 174.527 175.510 -0.036 0.000 1.062 611 N CA 0.236 53.273 53.050 -0.021 0.000 0.696 611 N CB -1.609 36.870 38.487 -0.014 0.000 0.946 611 N HN 0.474 nan 8.380 nan 0.000 0.548 612 L N 1.437 122.630 121.223 -0.050 0.000 2.261 612 L HA 0.353 4.693 4.340 0.000 0.000 0.289 612 L C -0.277 176.543 176.870 -0.084 0.000 1.059 612 L CA -0.143 54.657 54.840 -0.066 0.000 0.816 612 L CB 0.684 42.696 42.059 -0.078 0.000 1.191 612 L HN 0.044 nan 8.230 nan 0.000 0.431 613 N N 2.063 120.720 118.700 -0.072 0.000 2.346 613 N HA 0.323 5.063 4.740 0.000 0.000 0.289 613 N C -0.681 174.788 175.510 -0.069 0.000 1.027 613 N CA -0.493 52.510 53.050 -0.078 0.000 0.864 613 N CB 1.870 40.320 38.487 -0.062 0.000 1.370 613 N HN 0.549 nan 8.380 nan 0.000 0.481 614 T N -0.937 113.570 114.554 -0.079 0.000 2.888 614 T HA 0.120 4.470 4.350 0.000 0.000 0.301 614 T C 0.759 175.437 174.700 -0.038 0.000 1.001 614 T CA -0.424 61.651 62.100 -0.042 0.000 1.147 614 T CB 0.295 69.146 68.868 -0.029 0.000 0.931 614 T HN 0.456 nan 8.240 nan 0.000 0.541 615 K N 2.653 123.039 120.400 -0.023 0.000 2.234 615 K HA 0.122 4.442 4.320 0.000 0.000 0.251 615 K C 0.400 176.982 176.600 -0.030 0.000 1.011 615 K CA -0.881 55.389 56.287 -0.028 0.000 0.889 615 K CB 0.397 32.888 32.500 -0.015 0.000 1.011 615 K HN 0.460 nan 8.250 nan 0.000 0.505 616 Q N 0.836 120.610 119.800 -0.044 0.000 2.584 616 Q HA 0.032 4.372 4.340 0.000 0.000 0.235 616 Q C -0.288 175.715 176.000 0.005 0.000 1.079 616 Q CA 0.484 56.258 55.803 -0.048 0.000 0.977 616 Q CB 0.545 29.232 28.738 -0.087 0.000 1.293 616 Q HN 0.492 nan 8.270 nan 0.000 0.553 617 R N 0.761 121.288 120.500 0.044 0.000 2.265 617 R HA 0.196 4.536 4.340 0.000 0.000 0.328 617 R C -0.172 176.188 176.300 0.101 0.000 0.969 617 R CA -0.203 55.937 56.100 0.067 0.000 0.832 617 R CB 0.969 31.300 30.300 0.052 0.000 1.139 617 R HN 0.558 nan 8.270 nan 0.000 0.457 618 S N 1.914 117.661 115.700 0.078 0.000 4.087 618 S HA 0.501 4.971 4.470 0.000 0.000 0.213 618 S C 0.151 174.795 174.600 0.073 0.000 1.415 618 S CA -0.020 58.229 58.200 0.082 0.000 0.893 618 S CB 0.178 63.416 63.200 0.063 0.000 1.529 618 S HN 0.879 nan 8.310 nan 0.000 0.457 619 A N 0.826 123.688 122.820 0.069 0.000 2.435 619 A HA 0.370 4.691 4.320 0.000 0.000 0.686 619 A C 0.724 178.346 177.584 0.063 0.000 0.138 619 A CA -0.352 51.718 52.037 0.054 0.000 0.024 619 A CB -1.446 17.591 19.000 0.061 0.000 3.974 619 A HN 1.813 nan 8.150 nan 0.000 0.548 620 A N 0.671 123.538 122.820 0.077 0.000 2.044 620 A HA 0.344 4.664 4.320 0.000 0.000 0.213 620 A C 0.978 178.704 177.584 0.237 0.000 1.169 620 A CA 1.498 53.618 52.037 0.139 0.000 0.724 620 A CB -0.093 18.997 19.000 0.150 0.000 0.840 620 A HN 0.736 nan 8.150 nan 0.000 0.463 621 K N 0.380 120.881 120.400 0.168 0.000 2.350 621 K HA 0.286 4.606 4.320 0.000 0.000 0.279 621 K C -0.621 176.056 176.600 0.127 0.000 1.027 621 K CA -0.570 55.806 56.287 0.148 0.000 0.969 621 K CB 0.570 33.134 32.500 0.106 0.000 0.954 621 K HN 0.369 nan 8.250 nan 0.000 0.474 622 c N 3.958 122.629 118.600 0.118 0.000 2.652 622 c HA 0.179 4.749 4.570 0.000 0.000 0.412 622 c C -1.604 172.528 174.090 0.070 0.000 1.294 622 c CA -1.362 55.024 56.329 0.095 0.000 2.127 622 c CB -0.694 41.865 42.510 0.081 0.000 2.691 622 c HN 0.674 nan 8.230 nan 0.000 0.615 623 P HA 0.069 nan 4.420 nan 0.000 0.267 623 P C -0.173 177.152 177.300 0.042 0.000 1.201 623 P CA 0.222 63.353 63.100 0.052 0.000 0.775 623 P CB 0.371 32.102 31.700 0.051 0.000 0.854 624 Q N 0.000 119.823 119.800 0.038 0.000 2.315 624 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 624 Q CA 0.000 55.822 55.803 0.031 0.000 1.022 624 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 624 Q HN 0.000 nan 8.270 nan 0.000 0.481