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 2zjs_1_Y DATA FIRST_RESID 1 DATA SEQUENCE MVKAFWSALQ IPELRQRVLF TLLVLAAYRL GAFIPTPGVD LDKIQEFLRT DATA SEQUENCE AQGGVFGIIN LFSGGNFERF SIFALGIMPY ITAAIIMQIL VTVVPALEKL DATA SEQUENCE SKEGEEGRRI INQYTRIGGI ALGAFQGFFL ATAFLGAEGG RFLLPGWSPG DATA SEQUENCE PFFWFVVVVT QVAGIALLLW MAERITEYGI GNGTSLIIFA GIVVEWLPQI DATA SEQUENCE LRTIGLIRTG EVNLVAFLFF LAFIVLAFAG MAAVQQAERR IPVQYARXXX DATA SEQUENCE XXXXYGGQAT YIPIKLNAAG VIPIIFAAAI LQIPIFLAAP FQDNPVLQGI DATA SEQUENCE ANFFNPTRPS GLFIEVLLVI LFTYVYTAVQ FDPKRIAESL REYGGFIPGI DATA SEQUENCE RPGEPTVKFL EHIVSRLTLW GALFLGLVTL LPQIIQNLTG IHSIAFSGIG DATA SEQUENCE LLIVVGVALD TLRQVESQLM LR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.381 176.300 0.135 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.643 32.600 0.072 0.000 1.302 2 V N 1.566 121.559 119.914 0.131 0.000 2.667 2 V HA -0.133 3.983 4.120 -0.007 0.000 0.252 2 V C 1.857 178.115 176.094 0.274 0.000 1.065 2 V CA 1.678 64.067 62.300 0.148 0.000 1.083 2 V CB -0.660 31.237 31.823 0.123 0.000 0.692 2 V HN 0.405 nan 8.190 nan 0.000 0.468 3 K N 0.181 120.756 120.400 0.291 0.000 2.361 3 K HA 0.213 4.529 4.320 -0.007 0.000 0.196 3 K C 2.190 178.961 176.600 0.286 0.000 1.039 3 K CA 0.805 57.311 56.287 0.364 0.000 1.001 3 K CB -0.103 32.526 32.500 0.215 0.000 0.795 3 K HN 0.423 nan 8.250 nan 0.000 0.495 4 A N 0.561 123.514 122.820 0.223 0.000 2.070 4 A HA -0.152 4.164 4.320 -0.007 0.000 0.220 4 A C 1.763 179.469 177.584 0.203 0.000 1.159 4 A CA 1.171 53.313 52.037 0.175 0.000 0.656 4 A CB -0.415 18.673 19.000 0.146 0.000 0.800 4 A HN 0.256 nan 8.150 nan 0.000 0.453 5 F N -1.900 118.118 119.950 0.112 0.000 2.262 5 F HA 0.015 4.538 4.527 -0.007 0.000 0.292 5 F C 2.052 177.943 175.800 0.153 0.000 1.081 5 F CA 0.863 58.918 58.000 0.091 0.000 1.355 5 F CB -0.225 38.803 39.000 0.046 0.000 1.069 5 F HN 0.437 nan 8.300 nan 0.000 0.506 6 W N 1.425 122.850 121.300 0.208 0.000 2.315 6 W HA -0.271 4.385 4.660 -0.007 0.000 0.323 6 W C 2.883 179.434 176.519 0.054 0.000 1.233 6 W CA 2.649 60.070 57.345 0.127 0.000 1.267 6 W CB -1.206 28.312 29.460 0.098 0.000 1.160 6 W HN 0.196 nan 8.180 nan 0.000 0.474 7 S N 0.556 116.439 115.700 0.305 0.000 2.356 7 S HA -0.144 4.322 4.470 -0.007 0.000 0.223 7 S C 2.054 176.704 174.600 0.084 0.000 1.032 7 S CA 1.822 60.104 58.200 0.136 0.000 1.005 7 S CB -1.183 62.053 63.200 0.060 0.000 0.867 7 S HN 0.194 nan 8.310 nan 0.000 0.449 8 A N 0.756 123.598 122.820 0.036 0.000 2.125 8 A HA 0.199 4.515 4.320 -0.007 0.000 0.219 8 A C 2.106 179.636 177.584 -0.090 0.000 1.156 8 A CA 1.301 53.305 52.037 -0.055 0.000 0.671 8 A CB -0.565 18.358 19.000 -0.128 0.000 0.794 8 A HN 0.573 nan 8.150 nan 0.000 0.459 9 L N -1.582 119.623 121.223 -0.029 0.000 2.463 9 L HA 0.179 4.514 4.340 -0.007 0.000 0.219 9 L C 1.859 178.773 176.870 0.075 0.000 1.088 9 L CA 1.138 55.973 54.840 -0.008 0.000 0.849 9 L CB -0.217 41.860 42.059 0.029 0.000 1.012 9 L HN 0.380 nan 8.230 nan 0.000 0.468 10 Q N -0.302 119.580 119.800 0.137 0.000 2.482 10 Q HA 0.041 4.377 4.340 -0.007 0.000 0.209 10 Q C 0.109 176.153 176.000 0.074 0.000 0.961 10 Q CA 0.010 55.899 55.803 0.143 0.000 0.945 10 Q CB 0.169 29.018 28.738 0.185 0.000 1.012 10 Q HN 0.385 nan 8.270 nan 0.000 0.515 11 I N 1.278 121.874 120.570 0.043 0.000 2.363 11 I HA 0.086 4.251 4.170 -0.007 0.000 0.292 11 I C -2.057 174.073 176.117 0.021 0.000 1.075 11 I CA -2.304 59.009 61.300 0.022 0.000 1.333 11 I CB 1.144 39.146 38.000 0.003 0.000 1.415 11 I HN -0.100 nan 8.210 nan 0.000 0.502 12 P HA -0.163 nan 4.420 nan 0.000 0.221 12 P C 0.989 178.301 177.300 0.020 0.000 1.145 12 P CA 1.236 64.353 63.100 0.028 0.000 0.795 12 P CB 0.122 31.839 31.700 0.027 0.000 0.775 13 E N -0.849 119.357 120.200 0.010 0.000 2.070 13 E HA -0.207 4.139 4.350 -0.007 0.000 0.197 13 E C 1.735 178.338 176.600 0.004 0.000 1.004 13 E CA 1.088 57.490 56.400 0.003 0.000 0.805 13 E CB -0.563 29.134 29.700 -0.005 0.000 0.744 13 E HN 0.201 nan 8.360 nan 0.000 0.451 14 L N 0.384 121.606 121.223 -0.000 0.000 2.298 14 L HA 0.054 4.390 4.340 -0.007 0.000 0.209 14 L C 2.263 179.143 176.870 0.017 0.000 1.084 14 L CA 0.974 55.812 54.840 -0.003 0.000 0.816 14 L CB -0.042 41.996 42.059 -0.034 0.000 0.967 14 L HN -0.134 nan 8.230 nan 0.000 0.460 15 R N -0.734 119.781 120.500 0.024 0.000 2.159 15 R HA -0.231 4.105 4.340 -0.007 0.000 0.237 15 R C 2.240 178.572 176.300 0.055 0.000 1.131 15 R CA 1.857 57.983 56.100 0.043 0.000 0.982 15 R CB -0.143 30.187 30.300 0.050 0.000 0.868 15 R HN 0.551 nan 8.270 nan 0.000 0.453 16 Q N -0.084 119.747 119.800 0.050 0.000 2.123 16 Q HA -0.110 4.226 4.340 -0.007 0.000 0.199 16 Q C 1.911 177.969 176.000 0.096 0.000 0.966 16 Q CA 1.026 56.866 55.803 0.062 0.000 0.845 16 Q CB 0.178 28.939 28.738 0.038 0.000 0.907 16 Q HN 0.315 nan 8.270 nan 0.000 0.439 17 R N -0.507 120.043 120.500 0.083 0.000 2.115 17 R HA -0.057 4.279 4.340 -0.007 0.000 0.226 17 R C 2.230 178.619 176.300 0.148 0.000 1.100 17 R CA 0.981 57.154 56.100 0.121 0.000 0.980 17 R CB -0.016 30.325 30.300 0.070 0.000 0.875 17 R HN 0.168 nan 8.270 nan 0.000 0.445 18 V N 1.400 121.374 119.914 0.099 0.000 2.307 18 V HA -0.186 3.929 4.120 -0.007 0.000 0.245 18 V C 2.161 178.307 176.094 0.087 0.000 1.045 18 V CA 1.491 63.842 62.300 0.085 0.000 1.024 18 V CB -0.253 31.613 31.823 0.073 0.000 0.651 18 V HN 0.274 nan 8.190 nan 0.000 0.449 19 L N -1.350 119.933 121.223 0.099 0.000 2.465 19 L HA -0.085 4.251 4.340 -0.007 0.000 0.224 19 L C 2.112 179.058 176.870 0.128 0.000 1.145 19 L CA 1.022 55.917 54.840 0.091 0.000 0.834 19 L CB -0.402 41.706 42.059 0.083 0.000 0.944 19 L HN 0.377 nan 8.230 nan 0.000 0.451 20 F N 0.332 120.288 119.950 0.010 0.000 2.220 20 F HA -0.096 4.427 4.527 -0.007 0.000 0.290 20 F C 2.417 178.213 175.800 -0.006 0.000 1.080 20 F CA 1.403 59.402 58.000 -0.002 0.000 1.318 20 F CB -0.350 38.651 39.000 0.002 0.000 1.063 20 F HN -0.132 nan 8.300 nan 0.000 0.498 21 T N 2.101 116.649 114.554 -0.011 0.000 2.665 21 T HA -0.223 4.123 4.350 -0.007 0.000 0.268 21 T C 2.198 176.815 174.700 -0.140 0.000 1.035 21 T CA 2.054 64.087 62.100 -0.112 0.000 1.151 21 T CB -0.673 68.200 68.868 0.009 0.000 0.862 21 T HN 0.233 nan 8.240 nan 0.000 0.438 22 L N 0.080 121.267 121.223 -0.060 0.000 2.083 22 L HA -0.054 4.282 4.340 -0.007 0.000 0.209 22 L C 2.470 179.298 176.870 -0.070 0.000 1.083 22 L CA 0.776 55.593 54.840 -0.038 0.000 0.752 22 L CB -0.499 41.562 42.059 0.003 0.000 0.899 22 L HN 0.229 nan 8.230 nan 0.000 0.433 23 L N -0.596 120.558 121.223 -0.115 0.000 2.056 23 L HA -0.143 4.193 4.340 -0.007 0.000 0.207 23 L C 2.338 179.099 176.870 -0.182 0.000 1.078 23 L CA 1.504 56.273 54.840 -0.119 0.000 0.749 23 L CB -0.240 41.763 42.059 -0.093 0.000 0.901 23 L HN -0.088 nan 8.230 nan 0.000 0.433 24 V N -0.439 119.251 119.914 -0.372 0.000 2.427 24 V HA -0.270 3.846 4.120 -0.007 0.000 0.248 24 V C 2.436 178.445 176.094 -0.140 0.000 1.051 24 V CA 1.789 63.879 62.300 -0.351 0.000 1.048 24 V CB -0.570 30.903 31.823 -0.584 0.000 0.666 24 V HN 0.412 nan 8.190 nan 0.000 0.456 25 L N -0.038 121.123 121.223 -0.104 0.000 2.291 25 L HA -0.043 4.293 4.340 -0.007 0.000 0.214 25 L C 2.647 179.568 176.870 0.086 0.000 1.120 25 L CA 1.021 55.879 54.840 0.029 0.000 0.799 25 L CB -0.677 41.392 42.059 0.017 0.000 0.925 25 L HN 0.349 nan 8.230 nan 0.000 0.446 26 A N 0.299 123.136 122.820 0.030 0.000 1.873 26 A HA -0.120 4.196 4.320 -0.007 0.000 0.215 26 A C 2.504 180.135 177.584 0.077 0.000 1.186 26 A CA 1.632 53.698 52.037 0.047 0.000 0.616 26 A CB -0.564 18.451 19.000 0.026 0.000 0.823 26 A HN 0.362 nan 8.150 nan 0.000 0.442 27 A N -1.816 121.052 122.820 0.080 0.000 2.014 27 A HA 0.017 4.332 4.320 -0.007 0.000 0.218 27 A C 2.054 179.761 177.584 0.205 0.000 1.163 27 A CA 1.448 53.564 52.037 0.131 0.000 0.652 27 A CB -0.662 18.415 19.000 0.128 0.000 0.808 27 A HN 0.743 nan 8.150 nan 0.000 0.449 28 Y N 0.515 120.829 120.300 0.024 0.000 2.200 28 Y HA -0.114 4.432 4.550 -0.007 0.000 0.290 28 Y C 2.313 178.224 175.900 0.019 0.000 1.137 28 Y CA 2.026 60.087 58.100 -0.065 0.000 1.163 28 Y CB -0.316 37.998 38.460 -0.244 0.000 0.988 28 Y HN 0.243 nan 8.280 nan 0.000 0.518 29 R N 0.529 120.942 120.500 -0.146 0.000 2.115 29 R HA -0.096 4.240 4.340 -0.007 0.000 0.230 29 R C 2.155 178.479 176.300 0.041 0.000 1.111 29 R CA 1.359 57.359 56.100 -0.167 0.000 0.976 29 R CB -0.922 29.374 30.300 -0.008 0.000 0.870 29 R HN 0.539 nan 8.270 nan 0.000 0.445 30 L N -0.591 120.714 121.223 0.136 0.000 2.046 30 L HA 0.087 4.423 4.340 -0.007 0.000 0.208 30 L C 1.952 178.953 176.870 0.218 0.000 1.077 30 L CA 2.412 57.381 54.840 0.215 0.000 0.747 30 L CB -1.086 41.066 42.059 0.155 0.000 0.896 30 L HN 0.196 nan 8.230 nan 0.000 0.432 31 G N -0.993 107.942 108.800 0.224 0.000 2.443 31 G HA2 -0.162 3.794 3.960 -0.007 0.000 0.219 31 G HA3 -0.162 3.794 3.960 -0.007 0.000 0.219 31 G C 1.581 176.485 174.900 0.006 0.000 1.131 31 G CA 0.554 45.739 45.100 0.143 0.000 0.775 31 G HN 0.667 nan 8.290 nan 0.000 0.547 32 A N 0.152 122.986 122.820 0.024 0.000 2.131 32 A HA 0.163 4.478 4.320 -0.007 0.000 0.220 32 A C 1.631 178.938 177.584 -0.461 0.000 1.158 32 A CA 0.745 52.619 52.037 -0.271 0.000 0.665 32 A CB -0.426 18.241 19.000 -0.555 0.000 0.795 32 A HN 0.368 nan 8.150 nan 0.000 0.460 33 F N -0.538 119.396 119.950 -0.027 0.000 2.641 33 F HA 0.310 4.833 4.527 -0.007 0.000 0.302 33 F C 0.151 175.925 175.800 -0.044 0.000 1.098 33 F CA -0.414 57.569 58.000 -0.027 0.000 1.318 33 F CB 0.583 39.574 39.000 -0.015 0.000 1.035 33 F HN -0.007 nan 8.300 nan 0.000 0.551 34 I N 3.087 123.671 120.570 0.024 0.000 2.268 34 I HA 0.251 4.417 4.170 -0.007 0.000 0.290 34 I C -2.547 173.525 176.117 -0.075 0.000 1.125 34 I CA -2.699 58.580 61.300 -0.034 0.000 1.236 34 I CB -0.800 37.139 38.000 -0.102 0.000 1.469 34 I HN -0.178 nan 8.210 nan 0.000 0.512 35 P HA 0.121 nan 4.420 nan 0.000 0.271 35 P C -0.068 177.201 177.300 -0.052 0.000 1.218 35 P CA -0.012 63.073 63.100 -0.026 0.000 0.780 35 P CB 0.428 32.128 31.700 -0.001 0.000 0.901 36 T N 5.180 119.715 114.554 -0.032 0.000 2.799 36 T HA 0.084 4.430 4.350 -0.007 0.000 0.296 36 T C -1.311 173.281 174.700 -0.180 0.000 0.947 36 T CA -0.740 61.318 62.100 -0.071 0.000 1.141 36 T CB -0.152 68.757 68.868 0.068 0.000 0.891 36 T HN 0.356 nan 8.240 nan 0.000 0.533 37 P HA -0.220 nan 4.420 nan 0.000 0.230 37 P C 1.194 178.002 177.300 -0.821 0.000 1.150 37 P CA 1.499 64.407 63.100 -0.320 0.000 0.933 37 P CB 0.012 31.557 31.700 -0.258 0.000 0.785 38 G N -2.288 105.918 108.800 -0.989 0.000 3.899 38 G HA2 0.352 4.308 3.960 -0.007 0.000 0.293 38 G HA3 0.352 4.308 3.960 -0.007 0.000 0.293 38 G C -0.413 174.129 174.900 -0.596 0.000 1.054 38 G CA -0.014 44.224 45.100 -1.438 0.000 0.846 38 G HN 0.139 nan 8.290 nan 0.000 0.525 39 V N 0.684 120.377 119.914 -0.368 0.000 2.459 39 V HA 0.302 4.418 4.120 -0.007 0.000 0.295 39 V C -0.795 175.195 176.094 -0.173 0.000 1.029 39 V CA -1.009 61.138 62.300 -0.255 0.000 0.874 39 V CB 2.088 33.751 31.823 -0.267 0.000 0.985 39 V HN 0.143 nan 8.190 nan 0.000 0.438 40 D N 4.244 124.566 120.400 -0.129 0.000 2.517 40 D HA 0.226 4.862 4.640 -0.007 0.000 0.220 40 D C 1.202 177.495 176.300 -0.013 0.000 1.158 40 D CA -0.025 53.939 54.000 -0.060 0.000 0.992 40 D CB 0.683 41.448 40.800 -0.059 0.000 1.058 40 D HN 0.497 nan 8.370 nan 0.000 0.516 41 L N 1.533 122.749 121.223 -0.012 0.000 2.187 41 L HA -0.174 4.162 4.340 -0.007 0.000 0.213 41 L C 1.551 178.451 176.870 0.050 0.000 1.100 41 L CA 0.842 55.690 54.840 0.015 0.000 0.765 41 L CB -0.161 41.912 42.059 0.023 0.000 0.904 41 L HN 0.232 nan 8.230 nan 0.000 0.437 42 D N 0.408 120.836 120.400 0.046 0.000 2.144 42 D HA -0.142 4.494 4.640 -0.007 0.000 0.200 42 D C 2.146 178.495 176.300 0.081 0.000 0.978 42 D CA 1.088 55.122 54.000 0.057 0.000 0.833 42 D CB -0.037 40.786 40.800 0.038 0.000 0.961 42 D HN 0.358 nan 8.370 nan 0.000 0.470 43 K N 0.454 120.904 120.400 0.082 0.000 2.097 43 K HA -0.009 4.307 4.320 -0.007 0.000 0.205 43 K C 2.302 179.084 176.600 0.304 0.000 1.050 43 K CA 0.476 56.837 56.287 0.123 0.000 0.938 43 K CB 0.139 32.648 32.500 0.014 0.000 0.718 43 K HN 0.172 nan 8.250 nan 0.000 0.442 44 I N 1.332 122.068 120.570 0.276 0.000 2.179 44 I HA -0.281 3.884 4.170 -0.007 0.000 0.242 44 I C 2.332 178.604 176.117 0.259 0.000 1.088 44 I CA 1.541 62.972 61.300 0.219 0.000 1.357 44 I CB -0.745 37.236 38.000 -0.032 0.000 1.051 44 I HN 0.270 nan 8.210 nan 0.000 0.409 45 Q N 0.771 120.675 119.800 0.173 0.000 2.050 45 Q HA -0.222 4.114 4.340 -0.007 0.000 0.202 45 Q C 2.186 178.282 176.000 0.160 0.000 0.980 45 Q CA 1.614 57.507 55.803 0.150 0.000 0.840 45 Q CB -0.080 28.722 28.738 0.107 0.000 0.898 45 Q HN 0.482 nan 8.270 nan 0.000 0.424 46 E N -0.174 120.126 120.200 0.167 0.000 2.085 46 E HA -0.223 4.123 4.350 -0.007 0.000 0.194 46 E C 1.724 178.441 176.600 0.196 0.000 0.994 46 E CA 1.181 57.671 56.400 0.151 0.000 0.801 46 E CB -0.190 29.588 29.700 0.130 0.000 0.743 46 E HN 0.305 nan 8.360 nan 0.000 0.453 47 F N 1.247 121.290 119.950 0.155 0.000 2.134 47 F HA -0.143 4.381 4.527 -0.006 0.000 0.299 47 F C 1.880 177.781 175.800 0.168 0.000 1.097 47 F CA 1.171 59.291 58.000 0.199 0.000 1.264 47 F CB -0.150 39.071 39.000 0.368 0.000 1.001 47 F HN -0.097 nan 8.300 nan 0.000 0.479 48 L N -0.057 121.178 121.223 0.021 0.000 2.201 48 L HA -0.116 4.220 4.340 -0.007 0.000 0.212 48 L C 2.518 179.352 176.870 -0.060 0.000 1.105 48 L CA 1.104 55.900 54.840 -0.072 0.000 0.775 48 L CB -0.549 41.584 42.059 0.124 0.000 0.913 48 L HN 0.039 nan 8.230 nan 0.000 0.440 49 R N -0.483 120.014 120.500 -0.005 0.000 2.193 49 R HA -0.015 4.320 4.340 -0.007 0.000 0.213 49 R C 0.963 177.250 176.300 -0.022 0.000 1.055 49 R CA 0.689 56.792 56.100 0.005 0.000 0.995 49 R CB -0.101 30.221 30.300 0.036 0.000 0.893 49 R HN 0.419 nan 8.270 nan 0.000 0.459 50 T N -3.043 111.478 114.554 -0.055 0.000 2.828 50 T HA 0.318 4.663 4.350 -0.007 0.000 0.290 50 T C 1.343 175.996 174.700 -0.078 0.000 1.019 50 T CA -0.217 61.854 62.100 -0.047 0.000 1.031 50 T CB 1.693 70.552 68.868 -0.014 0.000 1.001 50 T HN 0.065 nan 8.240 nan 0.000 0.531 51 A N 0.254 123.053 122.820 -0.035 0.000 1.898 51 A HA -0.089 4.227 4.320 -0.007 0.000 0.216 51 A C 2.419 179.989 177.584 -0.024 0.000 1.181 51 A CA 1.837 53.859 52.037 -0.025 0.000 0.620 51 A CB -1.215 17.783 19.000 -0.003 0.000 0.819 51 A HN 1.020 nan 8.150 nan 0.000 0.442 52 Q N -0.434 119.363 119.800 -0.006 0.000 1.978 52 Q HA -0.196 4.140 4.340 -0.007 0.000 0.211 52 Q C 1.677 177.653 176.000 -0.041 0.000 1.013 52 Q CA 2.027 57.857 55.803 0.045 0.000 0.869 52 Q CB -0.716 28.112 28.738 0.150 0.000 0.953 52 Q HN 0.519 nan 8.270 nan 0.000 0.415 53 G N -0.886 107.636 108.800 -0.464 0.000 3.262 53 G HA2 0.109 4.065 3.960 -0.007 0.000 0.222 53 G HA3 0.109 4.065 3.960 -0.007 0.000 0.222 53 G C 0.792 175.565 174.900 -0.212 0.000 1.269 53 G CA 0.287 44.915 45.100 -0.786 0.000 1.032 53 G HN 0.530 nan 8.290 nan 0.000 0.502 54 G N 0.362 109.119 108.800 -0.070 0.000 2.421 54 G HA2 -0.120 3.835 3.960 -0.007 0.000 0.217 54 G HA3 -0.120 3.835 3.960 -0.007 0.000 0.217 54 G C 1.844 176.776 174.900 0.054 0.000 1.143 54 G CA 1.317 46.415 45.100 -0.004 0.000 0.784 54 G HN 0.625 nan 8.290 nan 0.000 0.541 55 V N -2.254 117.700 119.914 0.067 0.000 2.490 55 V HA -0.012 4.104 4.120 -0.007 0.000 0.250 55 V C 2.289 178.363 176.094 -0.034 0.000 1.061 55 V CA 1.145 63.449 62.300 0.007 0.000 1.064 55 V CB -0.994 30.806 31.823 -0.038 0.000 0.670 55 V HN 0.184 nan 8.190 nan 0.000 0.461 56 F N 2.531 122.465 119.950 -0.027 0.000 2.664 56 F HA 0.227 4.750 4.527 -0.007 0.000 0.297 56 F C 2.364 178.128 175.800 -0.060 0.000 1.164 56 F CA 0.785 58.732 58.000 -0.088 0.000 1.472 56 F CB -0.917 38.039 39.000 -0.072 0.000 1.108 56 F HN 0.271 nan 8.300 nan 0.000 0.596 57 G N 1.721 110.596 108.800 0.125 0.000 2.628 57 G HA2 -0.329 3.626 3.960 -0.007 0.000 0.217 57 G HA3 -0.329 3.626 3.960 -0.007 0.000 0.217 57 G C 1.664 176.622 174.900 0.098 0.000 1.240 57 G CA 1.571 46.731 45.100 0.099 0.000 0.792 57 G HN 0.480 nan 8.290 nan 0.000 0.593 58 I N -0.035 120.598 120.570 0.105 0.000 2.286 58 I HA -0.116 4.050 4.170 -0.007 0.000 0.248 58 I C 2.533 178.791 176.117 0.234 0.000 1.115 58 I CA 0.820 62.240 61.300 0.200 0.000 1.392 58 I CB -0.525 37.594 38.000 0.199 0.000 1.065 58 I HN 0.053 nan 8.210 nan 0.000 0.418 59 I N 1.824 122.443 120.570 0.081 0.000 2.163 59 I HA -0.282 3.884 4.170 -0.007 0.000 0.243 59 I C 2.378 178.525 176.117 0.050 0.000 1.085 59 I CA 2.011 63.322 61.300 0.018 0.000 1.347 59 I CB -1.523 36.389 38.000 -0.147 0.000 1.044 59 I HN 0.418 nan 8.210 nan 0.000 0.408 60 N N 1.047 119.781 118.700 0.058 0.000 2.396 60 N HA -0.156 4.580 4.740 -0.007 0.000 0.180 60 N C 1.666 177.224 175.510 0.081 0.000 1.028 60 N CA 0.613 53.738 53.050 0.125 0.000 0.893 60 N CB -0.041 38.556 38.487 0.183 0.000 0.967 60 N HN 0.210 nan 8.380 nan 0.000 0.440 61 L N -0.722 120.527 121.223 0.042 0.000 2.023 61 L HA 0.132 4.467 4.340 -0.007 0.000 0.205 61 L C 1.330 178.086 176.870 -0.191 0.000 1.073 61 L CA 1.618 56.386 54.840 -0.119 0.000 0.745 61 L CB -0.665 41.252 42.059 -0.237 0.000 0.900 61 L HN 0.084 nan 8.230 nan 0.000 0.435 62 F N -0.674 119.268 119.950 -0.013 0.000 2.748 62 F HA -0.012 4.510 4.527 -0.008 0.000 0.299 62 F C 2.566 178.363 175.800 -0.005 0.000 1.154 62 F CA 0.770 58.755 58.000 -0.025 0.000 1.446 62 F CB -0.639 38.332 39.000 -0.047 0.000 1.112 62 F HN 0.281 nan 8.300 nan 0.000 0.584 63 S N -0.355 115.440 115.700 0.158 0.000 2.522 63 S HA 0.168 4.634 4.470 -0.007 0.000 0.227 63 S C 1.900 176.564 174.600 0.107 0.000 0.986 63 S CA 0.591 58.873 58.200 0.137 0.000 0.929 63 S CB -0.453 62.847 63.200 0.168 0.000 0.769 63 S HN 0.530 nan 8.310 nan 0.000 0.529 64 G N 0.558 109.388 108.800 0.051 0.000 2.143 64 G HA2 0.058 4.014 3.960 -0.007 0.000 0.248 64 G HA3 0.058 4.014 3.960 -0.007 0.000 0.248 64 G C 1.085 175.968 174.900 -0.027 0.000 0.991 64 G CA 0.340 45.446 45.100 0.011 0.000 0.689 64 G HN 1.885 nan 8.290 nan 0.000 0.522 65 G N -1.138 107.669 108.800 0.012 0.000 2.136 65 G HA2 -0.304 3.651 3.960 -0.007 0.000 0.242 65 G HA3 -0.304 3.651 3.960 -0.007 0.000 0.242 65 G C 0.885 175.786 174.900 0.003 0.000 0.989 65 G CA 0.958 46.068 45.100 0.016 0.000 0.682 65 G HN 0.726 nan 8.290 nan 0.000 0.522 66 N N -0.634 118.084 118.700 0.029 0.000 2.333 66 N HA 0.056 4.791 4.740 -0.007 0.000 0.178 66 N C 1.753 177.267 175.510 0.007 0.000 1.018 66 N CA 0.975 54.026 53.050 0.001 0.000 0.882 66 N CB -0.247 38.279 38.487 0.064 0.000 0.984 66 N HN 0.470 nan 8.380 nan 0.000 0.434 67 F N 2.538 122.455 119.950 -0.054 0.000 2.102 67 F HA -0.143 4.380 4.527 -0.007 0.000 0.298 67 F C 2.410 178.270 175.800 0.100 0.000 1.105 67 F CA 1.426 59.418 58.000 -0.013 0.000 1.239 67 F CB -0.197 38.845 39.000 0.070 0.000 0.991 67 F HN 0.055 nan 8.300 nan 0.000 0.474 68 E N 0.616 120.960 120.200 0.240 0.000 2.253 68 E HA -0.269 4.077 4.350 -0.007 0.000 0.202 68 E C 0.407 177.041 176.600 0.057 0.000 1.014 68 E CA 1.354 57.841 56.400 0.145 0.000 0.823 68 E CB -0.081 29.692 29.700 0.122 0.000 0.736 68 E HN 0.520 nan 8.360 nan 0.000 0.478 69 R N -0.979 119.532 120.500 0.020 0.000 2.593 69 R HA 0.115 4.451 4.340 -0.007 0.000 0.258 69 R C -0.786 175.524 176.300 0.016 0.000 1.410 69 R CA -0.617 55.489 56.100 0.010 0.000 1.537 69 R CB -1.062 29.228 30.300 -0.018 0.000 1.362 69 R HN -0.129 nan 8.270 nan 0.000 0.734 70 F N 3.262 123.098 119.950 -0.189 0.000 1.946 70 F HA -0.267 4.256 4.527 -0.007 0.000 0.236 70 F C 1.003 176.714 175.800 -0.148 0.000 1.071 70 F CA 1.303 59.189 58.000 -0.190 0.000 0.638 70 F CB -0.450 38.410 39.000 -0.233 0.000 0.528 70 F HN 0.513 nan 8.300 nan 0.000 0.590 71 S N 3.620 119.221 115.700 -0.165 0.000 2.661 71 S HA 0.393 4.859 4.470 -0.007 0.000 0.265 71 S C 1.680 176.099 174.600 -0.302 0.000 1.225 71 S CA -0.366 57.709 58.200 -0.208 0.000 0.986 71 S CB 0.888 63.974 63.200 -0.189 0.000 1.008 71 S HN 0.524 nan 8.310 nan 0.000 0.565 72 I N -1.820 118.464 120.570 -0.477 0.000 2.423 72 I HA 0.016 4.181 4.170 -0.007 0.000 0.254 72 I C 0.040 175.891 176.117 -0.443 0.000 1.151 72 I CA 0.967 61.973 61.300 -0.491 0.000 1.421 72 I CB -0.865 36.805 38.000 -0.549 0.000 1.079 72 I HN 0.481 nan 8.210 nan 0.000 0.431 73 F N 0.973 120.883 119.950 -0.067 0.000 2.366 73 F HA 0.808 5.331 4.527 -0.007 0.000 0.328 73 F C 1.535 177.260 175.800 -0.126 0.000 1.180 73 F CA -1.349 56.622 58.000 -0.047 0.000 1.232 73 F CB -0.607 38.430 39.000 0.061 0.000 1.513 73 F HN -0.105 nan 8.300 nan 0.000 0.540 74 A N 1.378 124.103 122.820 -0.159 0.000 1.927 74 A HA -0.149 4.167 4.320 -0.007 0.000 0.220 74 A C 1.834 179.357 177.584 -0.102 0.000 1.185 74 A CA 1.913 53.682 52.037 -0.446 0.000 0.639 74 A CB -0.597 17.660 19.000 -1.238 0.000 0.820 74 A HN 0.714 nan 8.150 nan 0.000 0.451 75 L N -2.234 119.000 121.223 0.017 0.000 2.616 75 L HA 0.367 4.703 4.340 -0.007 0.000 0.229 75 L C 1.456 178.389 176.870 0.105 0.000 1.110 75 L CA 0.319 55.213 54.840 0.090 0.000 0.884 75 L CB -0.177 41.912 42.059 0.050 0.000 1.115 75 L HN 0.688 nan 8.230 nan 0.000 0.481 76 G N 1.037 109.931 108.800 0.156 0.000 2.525 76 G HA2 -0.366 3.590 3.960 -0.007 0.000 0.248 76 G HA3 -0.366 3.590 3.960 -0.007 0.000 0.248 76 G C 0.232 175.177 174.900 0.075 0.000 1.238 76 G CA 0.146 45.330 45.100 0.141 0.000 0.926 76 G HN 0.066 nan 8.290 nan 0.000 0.574 77 I N 1.243 121.815 120.570 0.002 0.000 3.749 77 I HA 0.260 4.425 4.170 -0.007 0.000 0.314 77 I C 2.418 178.578 176.117 0.071 0.000 1.267 77 I CA 0.514 61.825 61.300 0.019 0.000 1.169 77 I CB -0.086 37.883 38.000 -0.051 0.000 1.009 77 I HN 0.483 nan 8.210 nan 0.000 0.444 78 M N 0.729 120.349 119.600 0.033 0.000 2.254 78 M HA 0.005 4.481 4.480 -0.007 0.000 0.265 78 M C -0.435 175.821 176.300 -0.075 0.000 1.066 78 M CA 1.457 56.739 55.300 -0.031 0.000 1.123 78 M CB -1.890 30.680 32.600 -0.050 0.000 1.388 78 M HN 0.080 nan 8.290 nan 0.000 0.425 79 P HA -0.195 nan 4.420 nan 0.000 0.216 79 P C 1.451 178.759 177.300 0.014 0.000 1.150 79 P CA 1.219 64.296 63.100 -0.038 0.000 0.837 79 P CB -0.421 31.292 31.700 0.023 0.000 0.786 80 Y N 0.458 120.723 120.300 -0.058 0.000 2.293 80 Y HA -0.136 4.410 4.550 -0.007 0.000 0.291 80 Y C 1.938 177.797 175.900 -0.068 0.000 1.137 80 Y CA 1.129 59.204 58.100 -0.043 0.000 1.202 80 Y CB -0.762 37.685 38.460 -0.021 0.000 0.990 80 Y HN -0.187 nan 8.280 nan 0.000 0.537 81 I N -0.513 119.924 120.570 -0.221 0.000 2.315 81 I HA -0.239 3.926 4.170 -0.007 0.000 0.248 81 I C 2.037 177.919 176.117 -0.392 0.000 1.117 81 I CA 1.642 62.737 61.300 -0.343 0.000 1.404 81 I CB -1.753 36.099 38.000 -0.247 0.000 1.071 81 I HN 0.219 nan 8.210 nan 0.000 0.419 82 T N 1.457 115.835 114.554 -0.293 0.000 2.821 82 T HA -0.045 4.301 4.350 -0.007 0.000 0.267 82 T C 2.094 176.652 174.700 -0.237 0.000 1.046 82 T CA 1.404 63.337 62.100 -0.279 0.000 1.139 82 T CB -0.183 68.546 68.868 -0.232 0.000 0.871 82 T HN 0.453 nan 8.240 nan 0.000 0.454 83 A N 1.342 124.047 122.820 -0.192 0.000 1.929 83 A HA 0.324 4.640 4.320 -0.007 0.000 0.216 83 A C 2.637 180.117 177.584 -0.174 0.000 1.176 83 A CA 1.481 53.438 52.037 -0.133 0.000 0.628 83 A CB -0.984 17.994 19.000 -0.037 0.000 0.816 83 A HN 0.482 nan 8.150 nan 0.000 0.444 84 A N -0.030 122.607 122.820 -0.305 0.000 1.902 84 A HA -0.104 4.211 4.320 -0.007 0.000 0.217 84 A C 2.123 179.624 177.584 -0.139 0.000 1.181 84 A CA 1.734 53.621 52.037 -0.249 0.000 0.623 84 A CB -0.566 18.225 19.000 -0.347 0.000 0.818 84 A HN 0.749 nan 8.150 nan 0.000 0.443 85 I N -0.460 119.903 120.570 -0.343 0.000 2.286 85 I HA -0.146 4.019 4.170 -0.007 0.000 0.245 85 I C 2.096 178.143 176.117 -0.116 0.000 1.104 85 I CA 1.156 62.258 61.300 -0.330 0.000 1.397 85 I CB -0.156 37.435 38.000 -0.682 0.000 1.072 85 I HN 0.366 nan 8.210 nan 0.000 0.417 86 I N 0.169 120.659 120.570 -0.134 0.000 2.099 86 I HA -0.321 3.845 4.170 -0.007 0.000 0.239 86 I C 2.326 178.417 176.117 -0.042 0.000 1.066 86 I CA 1.522 62.772 61.300 -0.084 0.000 1.324 86 I CB -0.465 37.479 38.000 -0.094 0.000 1.037 86 I HN 0.243 nan 8.210 nan 0.000 0.401 87 M N -0.451 119.130 119.600 -0.031 0.000 2.296 87 M HA -0.191 4.285 4.480 -0.007 0.000 0.265 87 M C 2.114 178.423 176.300 0.015 0.000 1.064 87 M CA 1.440 56.736 55.300 -0.005 0.000 1.109 87 M CB -1.124 31.485 32.600 0.016 0.000 1.396 87 M HN 0.330 nan 8.290 nan 0.000 0.430 88 Q N 0.259 120.084 119.800 0.043 0.000 2.444 88 Q HA 0.108 4.443 4.340 -0.007 0.000 0.206 88 Q C 1.648 177.686 176.000 0.062 0.000 0.948 88 Q CA 0.224 56.073 55.803 0.076 0.000 0.946 88 Q CB 0.177 29.011 28.738 0.160 0.000 1.027 88 Q HN 0.497 nan 8.270 nan 0.000 0.513 89 I N -0.765 119.826 120.570 0.034 0.000 2.628 89 I HA -0.153 4.013 4.170 -0.007 0.000 0.255 89 I C 1.472 177.587 176.117 -0.004 0.000 1.119 89 I CA 0.481 61.790 61.300 0.014 0.000 1.448 89 I CB 0.159 38.160 38.000 0.001 0.000 1.133 89 I HN 0.206 nan 8.210 nan 0.000 0.438 90 L N -0.175 121.040 121.223 -0.013 0.000 2.291 90 L HA -0.104 4.232 4.340 -0.007 0.000 0.214 90 L C 2.436 179.291 176.870 -0.025 0.000 1.120 90 L CA 0.462 55.286 54.840 -0.026 0.000 0.799 90 L CB -0.480 41.556 42.059 -0.038 0.000 0.925 90 L HN 0.079 nan 8.230 nan 0.000 0.446 91 V N -0.242 119.665 119.914 -0.012 0.000 2.515 91 V HA -0.232 3.884 4.120 -0.007 0.000 0.250 91 V C 2.410 178.497 176.094 -0.012 0.000 1.058 91 V CA 2.219 64.513 62.300 -0.011 0.000 1.064 91 V CB -0.333 31.493 31.823 0.004 0.000 0.675 91 V HN 0.515 nan 8.190 nan 0.000 0.461 92 T N -0.866 113.683 114.554 -0.009 0.000 2.755 92 T HA -0.067 4.278 4.350 -0.007 0.000 0.251 92 T C 1.904 176.594 174.700 -0.016 0.000 1.044 92 T CA 1.381 63.474 62.100 -0.012 0.000 1.154 92 T CB -0.159 68.704 68.868 -0.010 0.000 0.866 92 T HN 0.218 nan 8.240 nan 0.000 0.416 93 V N 1.628 121.532 119.914 -0.017 0.000 2.244 93 V HA -0.034 4.082 4.120 -0.007 0.000 0.244 93 V C 1.216 177.296 176.094 -0.023 0.000 1.042 93 V CA 0.964 63.253 62.300 -0.020 0.000 1.006 93 V CB -0.441 31.370 31.823 -0.020 0.000 0.641 93 V HN 0.266 nan 8.190 nan 0.000 0.446 94 V N 2.422 122.319 119.914 -0.028 0.000 2.470 94 V HA 0.115 4.231 4.120 -0.007 0.000 0.276 94 V C -1.209 174.866 176.094 -0.032 0.000 1.040 94 V CA -0.665 61.615 62.300 -0.033 0.000 1.008 94 V CB 0.874 32.671 31.823 -0.043 0.000 0.990 94 V HN 0.429 nan 8.190 nan 0.000 0.477 95 P HA 0.033 nan 4.420 nan 0.000 0.224 95 P C 1.387 178.669 177.300 -0.030 0.000 1.157 95 P CA 0.899 63.983 63.100 -0.027 0.000 0.799 95 P CB 0.331 32.017 31.700 -0.023 0.000 0.809 96 A N 0.040 122.839 122.820 -0.035 0.000 1.972 96 A HA -0.123 4.193 4.320 -0.007 0.000 0.219 96 A C 2.111 179.669 177.584 -0.043 0.000 1.169 96 A CA 1.336 53.350 52.037 -0.038 0.000 0.635 96 A CB -1.651 17.323 19.000 -0.043 0.000 0.810 96 A HN 0.140 nan 8.150 nan 0.000 0.446 97 L N -1.000 120.193 121.223 -0.051 0.000 2.313 97 L HA -0.074 4.262 4.340 -0.007 0.000 0.214 97 L C 2.471 179.322 176.870 -0.031 0.000 1.119 97 L CA 1.186 55.994 54.840 -0.052 0.000 0.809 97 L CB -0.323 41.698 42.059 -0.064 0.000 0.933 97 L HN 0.505 nan 8.230 nan 0.000 0.449 98 E N 0.719 120.902 120.200 -0.028 0.000 2.152 98 E HA -0.201 4.144 4.350 -0.007 0.000 0.192 98 E C 1.970 178.555 176.600 -0.024 0.000 0.983 98 E CA 0.857 57.243 56.400 -0.024 0.000 0.818 98 E CB 0.241 29.927 29.700 -0.024 0.000 0.758 98 E HN 0.435 nan 8.360 nan 0.000 0.467 99 K N 0.131 120.517 120.400 -0.024 0.000 2.057 99 K HA -0.119 4.197 4.320 -0.007 0.000 0.207 99 K C 2.220 178.810 176.600 -0.016 0.000 1.049 99 K CA 1.102 57.376 56.287 -0.021 0.000 0.931 99 K CB -0.063 32.425 32.500 -0.020 0.000 0.714 99 K HN 0.143 nan 8.250 nan 0.000 0.440 100 L N 0.520 121.735 121.223 -0.012 0.000 2.141 100 L HA -0.149 4.187 4.340 -0.007 0.000 0.209 100 L C 2.619 179.492 176.870 0.005 0.000 1.094 100 L CA 0.831 55.672 54.840 0.000 0.000 0.763 100 L CB -0.479 41.582 42.059 0.005 0.000 0.908 100 L HN 0.183 nan 8.230 nan 0.000 0.437 101 S N 1.186 116.884 115.700 -0.002 0.000 2.351 101 S HA -0.249 4.217 4.470 -0.007 0.000 0.220 101 S C 1.937 176.531 174.600 -0.010 0.000 1.035 101 S CA 1.902 60.102 58.200 -0.000 0.000 1.031 101 S CB -0.195 63.002 63.200 -0.005 0.000 0.928 101 S HN 0.562 nan 8.310 nan 0.000 0.433 102 K N 0.656 121.042 120.400 -0.023 0.000 2.525 102 K HA 0.131 4.447 4.320 -0.007 0.000 0.192 102 K C 0.857 177.438 176.600 -0.031 0.000 1.029 102 K CA 0.557 56.821 56.287 -0.038 0.000 1.029 102 K CB -0.119 32.349 32.500 -0.053 0.000 0.814 102 K HN 0.375 nan 8.250 nan 0.000 0.503 103 E N 1.721 121.911 120.200 -0.017 0.000 2.392 103 E HA 0.079 4.425 4.350 -0.007 0.000 0.307 103 E C 0.201 176.796 176.600 -0.007 0.000 1.505 103 E CA 0.111 56.504 56.400 -0.012 0.000 1.716 103 E CB -0.412 29.286 29.700 -0.004 0.000 1.450 103 E HN 0.544 nan 8.360 nan 0.000 0.484 104 G N 2.113 110.904 108.800 -0.015 0.000 2.552 104 G HA2 -0.410 3.546 3.960 -0.007 0.000 0.265 104 G HA3 -0.410 3.546 3.960 -0.007 0.000 0.265 104 G C 0.619 175.516 174.900 -0.004 0.000 1.234 104 G CA 0.361 45.454 45.100 -0.012 0.000 0.944 104 G HN 0.484 nan 8.290 nan 0.000 0.568 105 E N 0.050 120.249 120.200 -0.002 0.000 2.016 105 E HA -0.001 4.344 4.350 -0.007 0.000 0.190 105 E C 2.371 178.977 176.600 0.009 0.000 0.985 105 E CA 2.222 58.623 56.400 0.002 0.000 0.802 105 E CB -0.296 29.403 29.700 -0.002 0.000 0.762 105 E HN 0.499 nan 8.360 nan 0.000 0.448 106 E N -0.101 120.105 120.200 0.010 0.000 2.208 106 E HA -0.007 4.339 4.350 -0.007 0.000 0.193 106 E C 2.053 178.669 176.600 0.027 0.000 0.988 106 E CA 0.947 57.357 56.400 0.017 0.000 0.828 106 E CB -0.525 29.184 29.700 0.015 0.000 0.763 106 E HN 0.434 nan 8.360 nan 0.000 0.478 107 G N 1.382 110.196 108.800 0.023 0.000 2.408 107 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.217 107 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.217 107 G C 1.718 176.640 174.900 0.037 0.000 1.150 107 G CA 0.184 45.302 45.100 0.030 0.000 0.776 107 G HN 0.158 nan 8.290 nan 0.000 0.542 108 R N -0.528 119.989 120.500 0.028 0.000 2.235 108 R HA 0.120 4.456 4.340 -0.007 0.000 0.213 108 R C 2.421 178.749 176.300 0.047 0.000 1.059 108 R CA 0.482 56.603 56.100 0.034 0.000 0.997 108 R CB -0.031 30.282 30.300 0.023 0.000 0.884 108 R HN 0.208 nan 8.270 nan 0.000 0.462 109 R N -0.007 120.520 120.500 0.045 0.000 2.290 109 R HA 0.118 4.454 4.340 -0.007 0.000 0.197 109 R C 1.605 177.942 176.300 0.061 0.000 0.913 109 R CA 0.059 56.188 56.100 0.049 0.000 1.040 109 R CB 0.357 30.676 30.300 0.033 0.000 0.992 109 R HN 0.055 nan 8.270 nan 0.000 0.500 110 I N 0.851 121.467 120.570 0.077 0.000 2.339 110 I HA -0.181 3.985 4.170 -0.007 0.000 0.245 110 I C 1.965 178.199 176.117 0.195 0.000 1.096 110 I CA 0.947 62.316 61.300 0.115 0.000 1.408 110 I CB -0.590 37.490 38.000 0.132 0.000 1.092 110 I HN 0.104 nan 8.210 nan 0.000 0.423 111 I N 1.204 121.874 120.570 0.168 0.000 2.208 111 I HA -0.320 3.846 4.170 -0.007 0.000 0.245 111 I C 2.245 178.461 176.117 0.165 0.000 1.097 111 I CA 1.581 62.983 61.300 0.171 0.000 1.363 111 I CB -1.778 36.279 38.000 0.095 0.000 1.051 111 I HN 0.305 nan 8.210 nan 0.000 0.413 112 N N 1.025 119.800 118.700 0.125 0.000 2.272 112 N HA -0.252 4.484 4.740 -0.007 0.000 0.185 112 N C 1.834 177.420 175.510 0.126 0.000 1.014 112 N CA 1.367 54.492 53.050 0.126 0.000 0.870 112 N CB -0.098 38.449 38.487 0.100 0.000 0.975 112 N HN 0.446 nan 8.380 nan 0.000 0.433 113 Q N -2.027 117.826 119.800 0.089 0.000 2.352 113 Q HA 0.080 4.415 4.340 -0.007 0.000 0.212 113 Q C 0.623 176.595 176.000 -0.047 0.000 0.888 113 Q CA 0.044 55.856 55.803 0.014 0.000 0.934 113 Q CB 0.229 28.939 28.738 -0.046 0.000 1.093 113 Q HN 0.456 nan 8.270 nan 0.000 0.523 114 Y N -0.996 119.338 120.300 0.056 0.000 2.490 114 Y HA 0.003 4.549 4.550 -0.007 0.000 0.285 114 Y C 2.106 178.039 175.900 0.055 0.000 1.117 114 Y CA 1.099 59.227 58.100 0.046 0.000 1.262 114 Y CB 0.550 39.028 38.460 0.030 0.000 1.043 114 Y HN 0.076 nan 8.280 nan 0.000 0.553 115 T N -0.747 113.933 114.554 0.211 0.000 2.894 115 T HA -0.085 4.261 4.350 -0.007 0.000 0.258 115 T C 2.033 176.869 174.700 0.226 0.000 1.043 115 T CA 0.794 62.997 62.100 0.171 0.000 1.141 115 T CB -0.065 68.884 68.868 0.135 0.000 0.873 115 T HN 0.197 nan 8.240 nan 0.000 0.449 116 R N 0.489 121.124 120.500 0.224 0.000 2.105 116 R HA -0.040 4.296 4.340 -0.007 0.000 0.239 116 R C 1.995 178.360 176.300 0.109 0.000 1.135 116 R CA 1.328 57.533 56.100 0.176 0.000 0.967 116 R CB -0.336 30.017 30.300 0.089 0.000 0.861 116 R HN 0.268 nan 8.270 nan 0.000 0.442 117 I N 0.162 120.775 120.570 0.072 0.000 2.876 117 I HA 0.003 4.169 4.170 -0.007 0.000 0.264 117 I C 2.136 178.306 176.117 0.088 0.000 1.204 117 I CA 0.868 62.198 61.300 0.050 0.000 1.485 117 I CB -0.132 37.855 38.000 -0.021 0.000 1.103 117 I HN 0.263 nan 8.210 nan 0.000 0.446 118 G N -0.029 108.843 108.800 0.119 0.000 2.404 118 G HA2 -0.168 3.788 3.960 -0.007 0.000 0.215 118 G HA3 -0.168 3.788 3.960 -0.007 0.000 0.215 118 G C 1.782 176.736 174.900 0.090 0.000 1.174 118 G CA 0.701 45.860 45.100 0.099 0.000 0.780 118 G HN 0.462 nan 8.290 nan 0.000 0.537 119 G N 0.860 109.742 108.800 0.137 0.000 2.433 119 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.216 119 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.216 119 G C 1.789 176.761 174.900 0.120 0.000 1.186 119 G CA 0.771 45.965 45.100 0.157 0.000 0.779 119 G HN 0.419 nan 8.290 nan 0.000 0.543 120 I N 1.012 121.646 120.570 0.106 0.000 2.264 120 I HA -0.150 4.016 4.170 -0.007 0.000 0.248 120 I C 2.953 179.119 176.117 0.083 0.000 1.111 120 I CA 1.399 62.749 61.300 0.083 0.000 1.382 120 I CB -0.028 38.009 38.000 0.061 0.000 1.060 120 I HN 0.233 nan 8.210 nan 0.000 0.418 121 A N 0.270 123.139 122.820 0.082 0.000 1.929 121 A HA -0.167 4.149 4.320 -0.007 0.000 0.216 121 A C 2.083 179.738 177.584 0.118 0.000 1.176 121 A CA 1.092 53.181 52.037 0.086 0.000 0.628 121 A CB -0.703 18.339 19.000 0.071 0.000 0.816 121 A HN 0.452 nan 8.150 nan 0.000 0.444 122 L N 0.015 121.302 121.223 0.106 0.000 2.201 122 L HA 0.019 4.355 4.340 -0.007 0.000 0.212 122 L C 2.421 179.404 176.870 0.188 0.000 1.105 122 L CA 1.666 56.584 54.840 0.129 0.000 0.775 122 L CB -0.957 41.133 42.059 0.051 0.000 0.913 122 L HN 0.348 nan 8.230 nan 0.000 0.440 123 G N -1.369 107.514 108.800 0.139 0.000 2.402 123 G HA2 -0.222 3.733 3.960 -0.007 0.000 0.216 123 G HA3 -0.222 3.733 3.960 -0.007 0.000 0.216 123 G C 1.663 176.656 174.900 0.156 0.000 1.162 123 G CA 0.732 45.911 45.100 0.132 0.000 0.777 123 G HN 0.533 nan 8.290 nan 0.000 0.539 124 A N 0.781 123.691 122.820 0.150 0.000 1.865 124 A HA -0.031 4.285 4.320 -0.007 0.000 0.217 124 A C 2.172 179.892 177.584 0.227 0.000 1.191 124 A CA 1.812 53.939 52.037 0.150 0.000 0.623 124 A CB -0.723 18.346 19.000 0.116 0.000 0.826 124 A HN 0.487 nan 8.150 nan 0.000 0.444 125 F N 0.701 120.734 119.950 0.139 0.000 2.026 125 F HA -0.265 4.257 4.527 -0.007 0.000 0.296 125 F C 2.544 178.544 175.800 0.333 0.000 1.133 125 F CA 2.485 60.606 58.000 0.201 0.000 1.188 125 F CB -0.707 38.369 39.000 0.125 0.000 0.968 125 F HN 0.332 nan 8.300 nan 0.000 0.476 126 Q N 0.163 120.107 119.800 0.241 0.000 2.112 126 Q HA -0.176 4.160 4.340 -0.007 0.000 0.206 126 Q C 2.501 178.677 176.000 0.294 0.000 0.987 126 Q CA 1.476 57.459 55.803 0.299 0.000 0.858 126 Q CB -0.960 27.973 28.738 0.324 0.000 0.905 126 Q HN 0.676 nan 8.270 nan 0.000 0.420 127 G N 0.451 109.385 108.800 0.223 0.000 2.446 127 G HA2 -0.284 3.671 3.960 -0.007 0.000 0.217 127 G HA3 -0.284 3.671 3.960 -0.007 0.000 0.217 127 G C 1.173 176.160 174.900 0.145 0.000 1.168 127 G CA 0.662 45.881 45.100 0.198 0.000 0.771 127 G HN 0.328 nan 8.290 nan 0.000 0.551 128 F N 0.647 120.583 119.950 -0.023 0.000 2.084 128 F HA 0.046 4.569 4.527 -0.007 0.000 0.296 128 F C 2.232 177.942 175.800 -0.151 0.000 1.111 128 F CA 1.378 59.324 58.000 -0.090 0.000 1.224 128 F CB -0.479 38.472 39.000 -0.081 0.000 0.991 128 F HN 0.131 nan 8.300 nan 0.000 0.471 129 F N 0.961 120.718 119.950 -0.320 0.000 2.087 129 F HA -0.292 4.230 4.527 -0.007 0.000 0.299 129 F C 1.906 177.496 175.800 -0.350 0.000 1.100 129 F CA 2.078 59.801 58.000 -0.461 0.000 1.226 129 F CB -0.772 37.779 39.000 -0.749 0.000 0.983 129 F HN 0.020 nan 8.300 nan 0.000 0.479 130 L N -0.468 120.613 121.223 -0.237 0.000 2.072 130 L HA -0.120 4.216 4.340 -0.007 0.000 0.205 130 L C 2.778 179.551 176.870 -0.162 0.000 1.079 130 L CA 1.047 55.774 54.840 -0.189 0.000 0.752 130 L CB -1.118 41.080 42.059 0.232 0.000 0.906 130 L HN 0.235 nan 8.230 nan 0.000 0.436 131 A N -0.710 122.028 122.820 -0.136 0.000 1.972 131 A HA -0.158 4.158 4.320 -0.007 0.000 0.219 131 A C 2.306 179.877 177.584 -0.022 0.000 1.169 131 A CA 2.224 54.272 52.037 0.018 0.000 0.635 131 A CB -0.612 18.356 19.000 -0.054 0.000 0.810 131 A HN 0.383 nan 8.150 nan 0.000 0.446 132 T N -0.637 113.644 114.554 -0.454 0.000 2.866 132 T HA 0.239 4.585 4.350 -0.007 0.000 0.250 132 T C 2.207 176.707 174.700 -0.334 0.000 1.033 132 T CA 1.076 62.849 62.100 -0.546 0.000 1.145 132 T CB -0.254 67.929 68.868 -1.142 0.000 0.866 132 T HN 0.493 nan 8.240 nan 0.000 0.434 133 A N -0.443 122.064 122.820 -0.522 0.000 2.072 133 A HA 0.308 4.624 4.320 -0.007 0.000 0.216 133 A C 1.678 179.017 177.584 -0.410 0.000 1.156 133 A CA 0.745 52.428 52.037 -0.591 0.000 0.701 133 A CB -0.317 17.872 19.000 -1.352 0.000 0.816 133 A HN 0.478 nan 8.150 nan 0.000 0.458 134 F N -1.411 118.245 119.950 -0.490 0.000 2.421 134 F HA 0.318 4.840 4.527 -0.007 0.000 0.270 134 F C 1.550 177.214 175.800 -0.226 0.000 0.894 134 F CA 0.205 57.983 58.000 -0.369 0.000 1.128 134 F CB -0.004 38.737 39.000 -0.432 0.000 1.011 134 F HN 0.021 nan 8.300 nan 0.000 0.788 135 L N 0.038 121.078 121.223 -0.304 0.000 2.044 135 L HA 0.046 4.381 4.340 -0.007 0.000 0.205 135 L C 2.128 178.823 176.870 -0.293 0.000 1.075 135 L CA 1.571 56.194 54.840 -0.361 0.000 0.747 135 L CB -0.956 40.976 42.059 -0.210 0.000 0.903 135 L HN 0.377 nan 8.230 nan 0.000 0.435 136 G N -1.547 107.109 108.800 -0.240 0.000 3.284 136 G HA2 0.256 4.212 3.960 -0.007 0.000 0.236 136 G HA3 0.256 4.212 3.960 -0.007 0.000 0.236 136 G C 1.465 176.268 174.900 -0.162 0.000 1.158 136 G CA 0.503 45.438 45.100 -0.276 0.000 0.774 136 G HN 0.337 nan 8.290 nan 0.000 0.545 137 A N 1.341 124.059 122.820 -0.171 0.000 1.859 137 A HA -0.128 4.187 4.320 -0.007 0.000 0.218 137 A C 2.043 179.567 177.584 -0.100 0.000 1.209 137 A CA 2.141 54.105 52.037 -0.122 0.000 0.639 137 A CB -0.287 18.619 19.000 -0.155 0.000 0.835 137 A HN 0.404 nan 8.150 nan 0.000 0.450 138 E N -2.089 118.017 120.200 -0.156 0.000 2.052 138 E HA 0.218 4.564 4.350 -0.007 0.000 0.192 138 E C 1.691 178.217 176.600 -0.123 0.000 0.958 138 E CA 0.616 56.941 56.400 -0.125 0.000 0.835 138 E CB -0.118 29.496 29.700 -0.143 0.000 0.811 138 E HN 0.504 nan 8.360 nan 0.000 0.462 139 G N -0.818 107.880 108.800 -0.170 0.000 3.774 139 G HA2 0.386 4.341 3.960 -0.007 0.000 0.287 139 G HA3 0.386 4.341 3.960 -0.007 0.000 0.287 139 G C 0.447 175.245 174.900 -0.170 0.000 1.030 139 G CA -0.058 44.955 45.100 -0.146 0.000 0.824 139 G HN 0.398 nan 8.290 nan 0.000 0.518 140 G N 0.635 109.316 108.800 -0.200 0.000 2.298 140 G HA2 -0.303 3.653 3.960 -0.007 0.000 0.287 140 G HA3 -0.303 3.653 3.960 -0.007 0.000 0.287 140 G C 0.991 175.702 174.900 -0.315 0.000 1.075 140 G CA 0.618 45.564 45.100 -0.256 0.000 0.960 140 G HN 0.680 nan 8.290 nan 0.000 0.502 141 R N -0.727 119.532 120.500 -0.401 0.000 2.119 141 R HA -0.107 4.229 4.340 -0.007 0.000 0.246 141 R C 1.456 177.270 176.300 -0.809 0.000 1.146 141 R CA 2.339 58.048 56.100 -0.651 0.000 0.962 141 R CB -0.218 29.545 30.300 -0.894 0.000 0.863 141 R HN 0.551 nan 8.270 nan 0.000 0.442 142 F N 0.312 120.000 119.950 -0.438 0.000 2.647 142 F HA 0.308 4.831 4.527 -0.007 0.000 0.300 142 F C -0.176 175.394 175.800 -0.383 0.000 1.106 142 F CA -0.502 57.248 58.000 -0.417 0.000 1.313 142 F CB 0.435 39.105 39.000 -0.550 0.000 1.007 142 F HN -0.124 nan 8.300 nan 0.000 0.536 143 L N 1.681 122.752 121.223 -0.255 0.000 2.326 143 L HA 0.335 4.671 4.340 -0.007 0.000 0.278 143 L C 0.250 177.032 176.870 -0.147 0.000 1.092 143 L CA -0.705 53.971 54.840 -0.274 0.000 0.810 143 L CB 1.230 43.102 42.059 -0.311 0.000 1.153 143 L HN 0.050 nan 8.230 nan 0.000 0.439 144 L N 4.114 125.272 121.223 -0.109 0.000 2.483 144 L HA 0.136 4.472 4.340 -0.007 0.000 0.275 144 L C -1.965 174.978 176.870 0.123 0.000 1.220 144 L CA -1.494 53.356 54.840 0.017 0.000 0.833 144 L CB 0.158 42.251 42.059 0.057 0.000 1.102 144 L HN 0.358 nan 8.230 nan 0.000 0.490 145 P HA 0.178 nan 4.420 nan 0.000 0.276 145 P C 0.542 177.906 177.300 0.107 0.000 1.230 145 P CA 0.324 63.464 63.100 0.065 0.000 0.776 145 P CB 1.172 32.884 31.700 0.021 0.000 0.888 146 G N 0.510 109.335 108.800 0.043 0.000 2.307 146 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.210 146 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.210 146 G C -0.585 174.231 174.900 -0.140 0.000 1.005 146 G CA -0.720 44.346 45.100 -0.058 0.000 0.634 146 G HN 0.393 nan 8.290 nan 0.000 0.496 147 W N 1.427 122.702 121.300 -0.041 0.000 2.448 147 W HA 0.771 5.427 4.660 -0.007 0.000 0.339 147 W C 0.348 176.789 176.519 -0.130 0.000 1.124 147 W CA -0.134 57.181 57.345 -0.050 0.000 1.262 147 W CB 1.897 31.309 29.460 -0.080 0.000 1.251 147 W HN 0.169 nan 8.180 nan 0.000 0.597 148 S N 1.259 117.027 115.700 0.114 0.000 2.540 148 S HA 0.249 4.715 4.470 -0.007 0.000 0.275 148 S C -2.151 172.398 174.600 -0.085 0.000 1.123 148 S CA -0.953 57.230 58.200 -0.030 0.000 0.907 148 S CB 1.929 65.103 63.200 -0.043 0.000 1.081 148 S HN 0.201 nan 8.310 nan 0.000 0.476 149 P HA -0.031 nan 4.420 nan 0.000 0.229 149 P C 0.791 177.861 177.300 -0.382 0.000 1.147 149 P CA 0.668 63.666 63.100 -0.169 0.000 0.766 149 P CB -0.405 31.250 31.700 -0.076 0.000 0.775 150 G N 1.065 109.669 108.800 -0.327 0.000 2.750 150 G HA2 0.038 3.994 3.960 -0.007 0.000 0.250 150 G HA3 0.038 3.994 3.960 -0.007 0.000 0.250 150 G C -1.511 172.881 174.900 -0.847 0.000 1.230 150 G CA -0.872 43.947 45.100 -0.469 0.000 0.883 150 G HN 0.047 nan 8.290 nan 0.000 0.573 151 P HA -0.053 nan 4.420 nan 0.000 0.230 151 P C 1.439 178.836 177.300 0.160 0.000 1.158 151 P CA 0.248 63.182 63.100 -0.277 0.000 0.769 151 P CB 0.080 31.823 31.700 0.072 0.000 0.807 152 F N -0.192 119.766 119.950 0.014 0.000 2.134 152 F HA -0.160 4.363 4.527 -0.007 0.000 0.299 152 F C 1.976 177.981 175.800 0.341 0.000 1.097 152 F CA 1.206 59.311 58.000 0.175 0.000 1.264 152 F CB -0.914 38.140 39.000 0.089 0.000 1.001 152 F HN -0.168 nan 8.300 nan 0.000 0.479 153 F N 0.073 120.048 119.950 0.041 0.000 2.084 153 F HA -0.178 4.345 4.527 -0.007 0.000 0.296 153 F C 1.953 177.836 175.800 0.139 0.000 1.111 153 F CA 1.886 59.916 58.000 0.049 0.000 1.224 153 F CB -0.938 38.122 39.000 0.100 0.000 0.991 153 F HN -0.017 nan 8.300 nan 0.000 0.471 154 W N 0.216 121.604 121.300 0.148 0.000 2.290 154 W HA -0.321 4.335 4.660 -0.007 0.000 0.328 154 W C 2.550 179.139 176.519 0.116 0.000 1.272 154 W CA 1.687 59.097 57.345 0.108 0.000 1.262 154 W CB -2.065 27.600 29.460 0.342 0.000 1.151 154 W HN 0.210 nan 8.180 nan 0.000 0.473 155 F N 0.387 120.515 119.950 0.296 0.000 2.126 155 F HA -0.202 4.321 4.527 -0.007 0.000 0.299 155 F C 2.342 178.135 175.800 -0.011 0.000 1.096 155 F CA 2.009 60.100 58.000 0.152 0.000 1.255 155 F CB -0.978 38.113 39.000 0.152 0.000 0.997 155 F HN -0.277 nan 8.300 nan 0.000 0.479 156 V N -0.525 119.267 119.914 -0.204 0.000 2.809 156 V HA -0.166 3.950 4.120 -0.007 0.000 0.256 156 V C 2.023 177.876 176.094 -0.401 0.000 1.080 156 V CA 1.512 63.586 62.300 -0.378 0.000 1.102 156 V CB -0.179 31.412 31.823 -0.386 0.000 0.705 156 V HN 0.281 nan 8.190 nan 0.000 0.475 157 V N -0.876 118.769 119.914 -0.447 0.000 2.379 157 V HA -0.124 3.992 4.120 -0.007 0.000 0.243 157 V C 2.415 178.392 176.094 -0.195 0.000 1.035 157 V CA 1.741 63.808 62.300 -0.388 0.000 1.035 157 V CB 0.000 31.490 31.823 -0.556 0.000 0.673 157 V HN 0.390 nan 8.190 nan 0.000 0.457 158 V N 0.047 119.887 119.914 -0.124 0.000 2.317 158 V HA -0.292 3.824 4.120 -0.007 0.000 0.251 158 V C 2.424 178.422 176.094 -0.160 0.000 1.065 158 V CA 2.251 64.515 62.300 -0.060 0.000 1.049 158 V CB -0.582 31.258 31.823 0.029 0.000 0.651 158 V HN 0.400 nan 8.190 nan 0.000 0.450 159 V N -0.252 119.465 119.914 -0.328 0.000 2.270 159 V HA -0.260 3.856 4.120 -0.007 0.000 0.245 159 V C 2.562 178.542 176.094 -0.190 0.000 1.043 159 V CA 2.630 64.743 62.300 -0.311 0.000 1.014 159 V CB -0.987 30.551 31.823 -0.474 0.000 0.645 159 V HN 0.654 nan 8.190 nan 0.000 0.447 160 T N -0.669 113.769 114.554 -0.194 0.000 2.737 160 T HA -0.257 4.089 4.350 -0.007 0.000 0.269 160 T C 1.888 176.518 174.700 -0.116 0.000 1.040 160 T CA 1.381 63.391 62.100 -0.151 0.000 1.142 160 T CB -0.247 68.527 68.868 -0.158 0.000 0.861 160 T HN 0.387 nan 8.240 nan 0.000 0.456 161 Q N 0.151 119.900 119.800 -0.084 0.000 2.187 161 Q HA 0.080 4.416 4.340 -0.007 0.000 0.199 161 Q C 2.646 178.643 176.000 -0.005 0.000 0.957 161 Q CA 0.723 56.507 55.803 -0.032 0.000 0.857 161 Q CB -0.353 28.395 28.738 0.018 0.000 0.929 161 Q HN 0.434 nan 8.270 nan 0.000 0.453 162 V N 0.909 120.811 119.914 -0.020 0.000 2.488 162 V HA -0.114 4.002 4.120 -0.007 0.000 0.246 162 V C 2.351 178.442 176.094 -0.005 0.000 1.046 162 V CA 1.366 63.667 62.300 0.001 0.000 1.053 162 V CB -0.904 30.915 31.823 -0.006 0.000 0.679 162 V HN 0.238 nan 8.190 nan 0.000 0.458 163 A N 0.967 123.764 122.820 -0.039 0.000 1.883 163 A HA -0.135 4.181 4.320 -0.007 0.000 0.217 163 A C 2.421 179.996 177.584 -0.015 0.000 1.186 163 A CA 2.179 54.192 52.037 -0.040 0.000 0.624 163 A CB -1.319 17.638 19.000 -0.072 0.000 0.822 163 A HN 0.506 nan 8.150 nan 0.000 0.444 164 G N -0.499 108.276 108.800 -0.041 0.000 2.421 164 G HA2 -0.183 3.772 3.960 -0.007 0.000 0.216 164 G HA3 -0.183 3.772 3.960 -0.007 0.000 0.216 164 G C 1.553 176.573 174.900 0.200 0.000 1.171 164 G CA 0.968 46.050 45.100 -0.029 0.000 0.775 164 G HN 0.394 nan 8.290 nan 0.000 0.543 165 I N 1.477 122.135 120.570 0.147 0.000 2.202 165 I HA -0.089 4.077 4.170 -0.007 0.000 0.242 165 I C 3.018 179.219 176.117 0.139 0.000 1.091 165 I CA 1.604 63.002 61.300 0.164 0.000 1.368 165 I CB -0.731 37.337 38.000 0.113 0.000 1.058 165 I HN 0.247 nan 8.210 nan 0.000 0.410 166 A N 1.169 124.051 122.820 0.103 0.000 1.858 166 A HA -0.237 4.079 4.320 -0.007 0.000 0.216 166 A C 2.413 180.091 177.584 0.156 0.000 1.190 166 A CA 1.710 53.803 52.037 0.092 0.000 0.617 166 A CB -1.122 17.903 19.000 0.042 0.000 0.827 166 A HN 0.531 nan 8.150 nan 0.000 0.443 167 L N -1.137 120.184 121.223 0.164 0.000 1.978 167 L HA -0.241 4.095 4.340 -0.007 0.000 0.218 167 L C 2.553 179.670 176.870 0.410 0.000 1.075 167 L CA 2.268 57.267 54.840 0.264 0.000 0.767 167 L CB -0.281 41.923 42.059 0.242 0.000 0.890 167 L HN 0.483 nan 8.230 nan 0.000 0.434 168 L N -0.737 120.692 121.223 0.343 0.000 2.056 168 L HA -0.189 4.147 4.340 -0.007 0.000 0.207 168 L C 2.202 179.101 176.870 0.048 0.000 1.078 168 L CA 1.542 56.505 54.840 0.204 0.000 0.749 168 L CB -0.666 41.496 42.059 0.171 0.000 0.901 168 L HN 0.268 nan 8.230 nan 0.000 0.433 169 L N -1.248 119.998 121.223 0.038 0.000 2.141 169 L HA -0.180 4.155 4.340 -0.007 0.000 0.209 169 L C 2.209 179.053 176.870 -0.043 0.000 1.094 169 L CA 1.838 56.608 54.840 -0.116 0.000 0.763 169 L CB -1.066 40.893 42.059 -0.166 0.000 0.908 169 L HN 0.615 nan 8.230 nan 0.000 0.437 170 W N 0.232 121.489 121.300 -0.071 0.000 2.355 170 W HA -0.240 4.416 4.660 -0.007 0.000 0.309 170 W C 2.292 178.812 176.519 0.001 0.000 1.206 170 W CA 2.059 59.391 57.345 -0.023 0.000 1.284 170 W CB -0.308 29.159 29.460 0.011 0.000 1.145 170 W HN 0.126 nan 8.180 nan 0.000 0.502 171 M N 0.859 120.347 119.600 -0.187 0.000 2.149 171 M HA -0.210 4.265 4.480 -0.007 0.000 0.261 171 M C 2.355 178.441 176.300 -0.357 0.000 1.064 171 M CA 2.101 57.130 55.300 -0.450 0.000 1.102 171 M CB -1.074 31.438 32.600 -0.146 0.000 1.369 171 M HN 0.202 nan 8.290 nan 0.000 0.408 172 A N 0.523 123.191 122.820 -0.253 0.000 1.851 172 A HA -0.188 4.128 4.320 -0.007 0.000 0.216 172 A C 1.953 179.432 177.584 -0.176 0.000 1.195 172 A CA 1.812 53.715 52.037 -0.222 0.000 0.622 172 A CB -0.791 18.069 19.000 -0.234 0.000 0.831 172 A HN 0.529 nan 8.150 nan 0.000 0.444 173 E N -0.914 119.180 120.200 -0.176 0.000 2.472 173 E HA -0.115 4.231 4.350 -0.007 0.000 0.200 173 E C 2.015 178.574 176.600 -0.067 0.000 1.046 173 E CA 0.117 56.453 56.400 -0.106 0.000 0.871 173 E CB 0.027 29.680 29.700 -0.079 0.000 0.806 173 E HN 0.299 nan 8.360 nan 0.000 0.533 174 R N 0.187 120.631 120.500 -0.094 0.000 2.093 174 R HA -0.004 4.332 4.340 -0.007 0.000 0.224 174 R C 2.146 178.652 176.300 0.343 0.000 1.101 174 R CA 0.669 56.870 56.100 0.168 0.000 0.979 174 R CB -0.564 29.807 30.300 0.118 0.000 0.877 174 R HN 0.261 nan 8.270 nan 0.000 0.441 175 I N 0.684 121.331 120.570 0.129 0.000 2.567 175 I HA -0.194 3.972 4.170 -0.007 0.000 0.257 175 I C 1.673 177.834 176.117 0.074 0.000 1.184 175 I CA 1.222 62.585 61.300 0.105 0.000 1.451 175 I CB -0.489 37.473 38.000 -0.064 0.000 1.089 175 I HN 0.062 nan 8.210 nan 0.000 0.441 176 T N -0.017 114.550 114.554 0.023 0.000 2.770 176 T HA -0.072 4.274 4.350 -0.007 0.000 0.258 176 T C 1.780 176.448 174.700 -0.053 0.000 1.039 176 T CA 1.129 63.219 62.100 -0.016 0.000 1.143 176 T CB -0.101 68.750 68.868 -0.028 0.000 0.866 176 T HN 0.381 nan 8.240 nan 0.000 0.428 177 E N 0.204 120.335 120.200 -0.115 0.000 2.021 177 E HA -0.019 4.327 4.350 -0.007 0.000 0.189 177 E C 1.416 177.798 176.600 -0.363 0.000 0.980 177 E CA 0.983 57.188 56.400 -0.325 0.000 0.803 177 E CB -0.076 29.259 29.700 -0.608 0.000 0.766 177 E HN 0.582 nan 8.360 nan 0.000 0.449 178 Y N -0.215 120.012 120.300 -0.122 0.000 2.468 178 Y HA 0.295 4.841 4.550 -0.007 0.000 0.268 178 Y C 0.912 176.748 175.900 -0.106 0.000 1.177 178 Y CA -0.183 57.737 58.100 -0.301 0.000 1.265 178 Y CB 0.908 38.863 38.460 -0.841 0.000 1.103 178 Y HN -0.022 nan 8.280 nan 0.000 0.522 179 G N -0.393 108.542 108.800 0.225 0.000 3.176 179 G HA2 0.525 4.480 3.960 -0.007 0.000 0.272 179 G HA3 0.525 4.480 3.960 -0.007 0.000 0.272 179 G C -0.953 174.009 174.900 0.104 0.000 1.349 179 G CA -0.838 44.427 45.100 0.275 0.000 0.953 179 G HN -0.130 nan 8.290 nan 0.000 0.559 180 I N 1.269 121.883 120.570 0.074 0.000 2.581 180 I HA 0.425 4.591 4.170 -0.007 0.000 0.288 180 I C 1.557 177.668 176.117 -0.011 0.000 1.047 180 I CA 0.877 62.188 61.300 0.018 0.000 1.374 180 I CB -0.042 37.963 38.000 0.009 0.000 1.423 180 I HN 1.109 nan 8.210 nan 0.000 0.549 181 G N 6.085 114.868 108.800 -0.029 0.000 2.622 181 G HA2 -0.322 3.633 3.960 -0.007 0.000 0.307 181 G HA3 -0.322 3.633 3.960 -0.007 0.000 0.307 181 G C 0.093 174.970 174.900 -0.038 0.000 1.226 181 G CA 0.359 45.431 45.100 -0.047 0.000 0.997 181 G HN 0.877 nan 8.290 nan 0.000 0.551 182 N N 0.883 119.554 118.700 -0.049 0.000 2.346 182 N HA 0.451 5.186 4.740 -0.007 0.000 0.289 182 N C 1.337 176.822 175.510 -0.041 0.000 1.027 182 N CA 0.494 53.525 53.050 -0.032 0.000 0.864 182 N CB 1.266 39.742 38.487 -0.018 0.000 1.370 182 N HN 0.848 nan 8.380 nan 0.000 0.481 183 G N 1.923 110.700 108.800 -0.039 0.000 2.639 183 G HA2 -0.312 3.643 3.960 -0.007 0.000 0.216 183 G HA3 -0.312 3.643 3.960 -0.007 0.000 0.216 183 G C 1.077 175.929 174.900 -0.080 0.000 1.267 183 G CA 1.962 47.018 45.100 -0.074 0.000 0.801 183 G HN 0.663 nan 8.290 nan 0.000 0.592 184 T N 0.888 115.423 114.554 -0.030 0.000 2.565 184 T HA -0.292 4.054 4.350 -0.007 0.000 0.265 184 T C 2.517 177.214 174.700 -0.004 0.000 1.082 184 T CA 2.333 64.441 62.100 0.014 0.000 1.173 184 T CB -0.944 68.031 68.868 0.178 0.000 0.864 184 T HN 0.360 nan 8.240 nan 0.000 0.425 185 S N 0.867 116.575 115.700 0.013 0.000 2.393 185 S HA -0.180 4.286 4.470 -0.007 0.000 0.235 185 S C 2.006 176.606 174.600 0.000 0.000 1.061 185 S CA 1.758 59.960 58.200 0.003 0.000 1.129 185 S CB -0.674 62.511 63.200 -0.026 0.000 1.011 185 S HN 0.430 nan 8.310 nan 0.000 0.436 186 L N 0.576 121.774 121.223 -0.042 0.000 2.201 186 L HA 0.011 4.347 4.340 -0.007 0.000 0.212 186 L C 2.230 179.106 176.870 0.009 0.000 1.105 186 L CA 0.909 55.740 54.840 -0.016 0.000 0.775 186 L CB -0.319 41.697 42.059 -0.071 0.000 0.913 186 L HN 0.418 nan 8.230 nan 0.000 0.440 187 I N -0.991 119.505 120.570 -0.122 0.000 2.163 187 I HA -0.290 3.876 4.170 -0.007 0.000 0.240 187 I C 2.278 178.280 176.117 -0.190 0.000 1.081 187 I CA 0.874 61.989 61.300 -0.309 0.000 1.353 187 I CB -0.246 37.467 38.000 -0.478 0.000 1.054 187 I HN 0.120 nan 8.210 nan 0.000 0.407 188 I N 0.840 121.368 120.570 -0.071 0.000 2.091 188 I HA -0.362 3.804 4.170 -0.007 0.000 0.239 188 I C 2.628 178.730 176.117 -0.025 0.000 1.061 188 I CA 1.916 63.219 61.300 0.005 0.000 1.317 188 I CB -1.433 36.629 38.000 0.104 0.000 1.031 188 I HN 0.214 nan 8.210 nan 0.000 0.401 189 F N 1.892 121.764 119.950 -0.129 0.000 2.111 189 F HA -0.329 4.194 4.527 -0.007 0.000 0.300 189 F C 2.444 178.121 175.800 -0.205 0.000 1.088 189 F CA 2.163 60.059 58.000 -0.173 0.000 1.243 189 F CB -0.311 38.600 39.000 -0.149 0.000 0.996 189 F HN 0.081 nan 8.300 nan 0.000 0.483 190 A N 0.193 122.919 122.820 -0.157 0.000 1.898 190 A HA 0.003 4.319 4.320 -0.007 0.000 0.216 190 A C 2.528 179.980 177.584 -0.219 0.000 1.181 190 A CA 1.512 53.427 52.037 -0.203 0.000 0.620 190 A CB -1.795 17.205 19.000 -0.000 0.000 0.819 190 A HN 0.528 nan 8.150 nan 0.000 0.442 191 G N 0.118 108.842 108.800 -0.126 0.000 2.440 191 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.218 191 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.218 191 G C 1.402 176.158 174.900 -0.240 0.000 1.154 191 G CA 1.371 46.406 45.100 -0.108 0.000 0.767 191 G HN 0.408 nan 8.290 nan 0.000 0.552 192 I N 0.026 120.370 120.570 -0.377 0.000 2.133 192 I HA -0.076 4.090 4.170 -0.007 0.000 0.238 192 I C 2.693 178.449 176.117 -0.602 0.000 1.074 192 I CA 0.657 61.684 61.300 -0.457 0.000 1.342 192 I CB -0.601 37.091 38.000 -0.512 0.000 1.053 192 I HN 0.056 nan 8.210 nan 0.000 0.404 193 V N 0.024 119.398 119.914 -0.901 0.000 2.809 193 V HA -0.144 3.972 4.120 -0.007 0.000 0.256 193 V C 2.334 178.122 176.094 -0.509 0.000 1.080 193 V CA 1.048 62.641 62.300 -1.177 0.000 1.102 193 V CB 0.061 31.052 31.823 -1.386 0.000 0.705 193 V HN 0.233 nan 8.190 nan 0.000 0.475 194 V N 0.761 120.485 119.914 -0.317 0.000 2.324 194 V HA -0.244 3.871 4.120 -0.007 0.000 0.250 194 V C 2.242 178.333 176.094 -0.004 0.000 1.060 194 V CA 2.404 64.633 62.300 -0.119 0.000 1.042 194 V CB -0.616 31.152 31.823 -0.092 0.000 0.650 194 V HN 0.706 nan 8.190 nan 0.000 0.450 195 E N -1.726 118.482 120.200 0.014 0.000 2.502 195 E HA -0.128 4.218 4.350 -0.007 0.000 0.194 195 E C 1.709 178.475 176.600 0.277 0.000 1.062 195 E CA 0.265 56.734 56.400 0.114 0.000 0.867 195 E CB -0.078 29.663 29.700 0.069 0.000 0.888 195 E HN 0.687 nan 8.360 nan 0.000 0.510 196 W N 0.964 122.250 121.300 -0.022 0.000 2.452 196 W HA -0.029 4.627 4.660 -0.007 0.000 0.313 196 W C 2.122 178.757 176.519 0.194 0.000 1.176 196 W CA 0.097 57.516 57.345 0.123 0.000 1.350 196 W CB -1.012 28.483 29.460 0.060 0.000 1.148 196 W HN 0.123 nan 8.180 nan 0.000 0.498 197 L N 1.241 122.671 121.223 0.345 0.000 1.989 197 L HA -0.123 4.213 4.340 -0.007 0.000 0.211 197 L C -0.608 176.361 176.870 0.165 0.000 1.071 197 L CA 2.391 57.363 54.840 0.220 0.000 0.749 197 L CB -2.038 40.113 42.059 0.153 0.000 0.890 197 L HN -0.201 nan 8.230 nan 0.000 0.431 198 P HA -0.201 nan 4.420 nan 0.000 0.215 198 P C 1.495 178.864 177.300 0.115 0.000 1.153 198 P CA 1.373 64.540 63.100 0.111 0.000 0.853 198 P CB -0.015 31.747 31.700 0.104 0.000 0.788 199 Q N -0.280 119.619 119.800 0.166 0.000 2.002 199 Q HA -0.173 4.163 4.340 -0.007 0.000 0.204 199 Q C 2.050 178.120 176.000 0.118 0.000 0.988 199 Q CA 1.789 57.694 55.803 0.169 0.000 0.843 199 Q CB -0.956 27.960 28.738 0.297 0.000 0.908 199 Q HN 0.026 nan 8.270 nan 0.000 0.420 200 I N 0.396 121.051 120.570 0.143 0.000 2.194 200 I HA -0.294 3.872 4.170 -0.007 0.000 0.246 200 I C 2.289 178.428 176.117 0.036 0.000 1.093 200 I CA 1.371 62.735 61.300 0.106 0.000 1.355 200 I CB -1.158 36.924 38.000 0.136 0.000 1.046 200 I HN 0.361 nan 8.210 nan 0.000 0.413 201 L N 0.041 121.289 121.223 0.043 0.000 1.994 201 L HA -0.203 4.133 4.340 -0.007 0.000 0.208 201 L C 2.798 179.651 176.870 -0.028 0.000 1.071 201 L CA 1.452 56.294 54.840 0.003 0.000 0.745 201 L CB -0.526 41.549 42.059 0.027 0.000 0.892 201 L HN 0.160 nan 8.230 nan 0.000 0.431 202 R N -0.866 119.632 120.500 -0.003 0.000 2.148 202 R HA -0.105 4.231 4.340 -0.007 0.000 0.227 202 R C 2.173 178.442 176.300 -0.053 0.000 1.103 202 R CA 1.648 57.739 56.100 -0.015 0.000 0.983 202 R CB -0.502 29.807 30.300 0.015 0.000 0.874 202 R HN 0.392 nan 8.270 nan 0.000 0.451 203 T N 1.047 115.557 114.554 -0.073 0.000 2.821 203 T HA -0.090 4.256 4.350 -0.007 0.000 0.267 203 T C 1.758 176.306 174.700 -0.252 0.000 1.046 203 T CA 0.911 62.932 62.100 -0.130 0.000 1.139 203 T CB -0.000 68.818 68.868 -0.084 0.000 0.871 203 T HN 0.198 nan 8.240 nan 0.000 0.454 204 I N 0.828 121.218 120.570 -0.299 0.000 3.419 204 I HA 0.167 4.333 4.170 -0.007 0.000 0.286 204 I C 2.300 178.307 176.117 -0.184 0.000 1.268 204 I CA 0.212 61.310 61.300 -0.335 0.000 1.414 204 I CB -0.053 37.717 38.000 -0.382 0.000 1.074 204 I HN 0.273 nan 8.210 nan 0.000 0.457 205 G N 0.529 109.254 108.800 -0.126 0.000 2.421 205 G HA2 -0.124 3.832 3.960 -0.007 0.000 0.217 205 G HA3 -0.124 3.832 3.960 -0.007 0.000 0.217 205 G C 1.471 176.327 174.900 -0.074 0.000 1.143 205 G CA 0.345 45.397 45.100 -0.081 0.000 0.784 205 G HN 0.362 nan 8.290 nan 0.000 0.541 206 L N -0.035 121.138 121.223 -0.084 0.000 2.567 206 L HA 0.370 4.705 4.340 -0.007 0.000 0.225 206 L C 2.303 179.127 176.870 -0.078 0.000 1.119 206 L CA -0.170 54.630 54.840 -0.067 0.000 0.871 206 L CB 0.131 42.157 42.059 -0.055 0.000 1.036 206 L HN 0.145 nan 8.230 nan 0.000 0.459 207 I N -0.255 120.248 120.570 -0.113 0.000 2.546 207 I HA -0.240 3.926 4.170 -0.007 0.000 0.255 207 I C 2.569 178.640 176.117 -0.077 0.000 1.163 207 I CA 1.094 62.329 61.300 -0.109 0.000 1.457 207 I CB 0.060 37.957 38.000 -0.171 0.000 1.092 207 I HN 0.212 nan 8.210 nan 0.000 0.434 208 R N -0.233 120.223 120.500 -0.073 0.000 2.062 208 R HA -0.133 4.203 4.340 -0.007 0.000 0.229 208 R C 2.265 178.541 176.300 -0.039 0.000 1.128 208 R CA 2.001 58.069 56.100 -0.053 0.000 0.960 208 R CB -0.953 29.316 30.300 -0.051 0.000 0.855 208 R HN 0.449 nan 8.270 nan 0.000 0.432 209 T N -2.343 112.188 114.554 -0.038 0.000 2.869 209 T HA -0.073 4.272 4.350 -0.007 0.000 0.270 209 T C 1.553 176.238 174.700 -0.025 0.000 1.082 209 T CA 1.306 63.389 62.100 -0.028 0.000 1.123 209 T CB -0.149 68.704 68.868 -0.025 0.000 0.856 209 T HN 0.522 nan 8.240 nan 0.000 0.499 210 G N 0.735 109.517 108.800 -0.030 0.000 2.179 210 G HA2 -0.245 3.711 3.960 -0.007 0.000 0.220 210 G HA3 -0.245 3.711 3.960 -0.007 0.000 0.220 210 G C 0.578 175.463 174.900 -0.026 0.000 0.990 210 G CA 0.687 45.772 45.100 -0.026 0.000 0.646 210 G HN 0.605 nan 8.290 nan 0.000 0.517 211 E N 0.238 120.420 120.200 -0.029 0.000 2.107 211 E HA 0.208 4.554 4.350 -0.007 0.000 0.191 211 E C 1.107 177.687 176.600 -0.034 0.000 0.982 211 E CA 1.616 57.999 56.400 -0.028 0.000 0.809 211 E CB 0.107 29.791 29.700 -0.026 0.000 0.756 211 E HN 0.596 nan 8.360 nan 0.000 0.459 212 V N 1.417 121.305 119.914 -0.043 0.000 2.864 212 V HA 0.373 4.489 4.120 -0.007 0.000 0.314 212 V C -0.529 175.544 176.094 -0.035 0.000 1.073 212 V CA -0.668 61.606 62.300 -0.043 0.000 0.956 212 V CB 1.774 33.562 31.823 -0.057 0.000 1.023 212 V HN 0.414 nan 8.190 nan 0.000 0.435 213 N N 1.656 120.348 118.700 -0.014 0.000 2.404 213 N HA 0.483 5.219 4.740 -0.007 0.000 0.297 213 N C 0.064 175.596 175.510 0.036 0.000 1.163 213 N CA -0.851 52.199 53.050 -0.001 0.000 0.864 213 N CB 1.681 40.169 38.487 0.001 0.000 1.247 213 N HN 0.445 nan 8.380 nan 0.000 0.510 214 L N 1.450 122.696 121.223 0.038 0.000 2.552 214 L HA 0.126 4.461 4.340 -0.007 0.000 0.227 214 L C 1.125 178.077 176.870 0.136 0.000 1.146 214 L CA 0.652 55.545 54.840 0.089 0.000 0.858 214 L CB -0.062 42.026 42.059 0.049 0.000 0.969 214 L HN 0.671 nan 8.230 nan 0.000 0.451 215 V N -0.663 119.310 119.914 0.099 0.000 2.283 215 V HA -0.230 3.886 4.120 -0.007 0.000 0.243 215 V C 2.645 178.831 176.094 0.152 0.000 1.039 215 V CA 1.614 63.981 62.300 0.111 0.000 1.016 215 V CB -1.216 30.646 31.823 0.065 0.000 0.650 215 V HN 0.522 nan 8.190 nan 0.000 0.449 216 A N -0.322 122.563 122.820 0.109 0.000 1.877 216 A HA -0.232 4.083 4.320 -0.007 0.000 0.216 216 A C 2.147 179.836 177.584 0.174 0.000 1.186 216 A CA 2.066 54.161 52.037 0.098 0.000 0.620 216 A CB -0.781 18.227 19.000 0.013 0.000 0.822 216 A HN 0.518 nan 8.150 nan 0.000 0.443 217 F N 0.398 120.367 119.950 0.032 0.000 2.134 217 F HA -0.119 4.404 4.527 -0.007 0.000 0.299 217 F C 1.837 177.692 175.800 0.093 0.000 1.097 217 F CA 1.697 59.716 58.000 0.031 0.000 1.264 217 F CB -0.198 38.784 39.000 -0.030 0.000 1.001 217 F HN 0.127 nan 8.300 nan 0.000 0.479 218 L N -1.094 120.242 121.223 0.189 0.000 2.362 218 L HA -0.185 4.151 4.340 -0.007 0.000 0.219 218 L C 2.116 178.991 176.870 0.008 0.000 1.134 218 L CA 0.744 55.623 54.840 0.064 0.000 0.807 218 L CB -0.581 41.553 42.059 0.124 0.000 0.927 218 L HN 0.205 nan 8.230 nan 0.000 0.447 219 F N -1.033 118.901 119.950 -0.026 0.000 2.234 219 F HA -0.185 4.339 4.527 -0.005 0.000 0.296 219 F C 2.165 177.958 175.800 -0.012 0.000 1.089 219 F CA 1.040 59.033 58.000 -0.012 0.000 1.343 219 F CB -0.009 38.994 39.000 0.006 0.000 1.040 219 F HN -0.050 nan 8.300 nan 0.000 0.498 220 F N -0.127 119.803 119.950 -0.032 0.000 2.084 220 F HA -0.157 4.365 4.527 -0.008 0.000 0.296 220 F C 2.058 177.702 175.800 -0.260 0.000 1.111 220 F CA 1.333 59.250 58.000 -0.139 0.000 1.224 220 F CB -0.668 38.155 39.000 -0.295 0.000 0.991 220 F HN -0.069 nan 8.300 nan 0.000 0.471 221 L N 0.315 121.288 121.223 -0.416 0.000 2.201 221 L HA -0.019 4.317 4.340 -0.007 0.000 0.212 221 L C 2.380 179.038 176.870 -0.353 0.000 1.105 221 L CA 1.759 56.309 54.840 -0.483 0.000 0.775 221 L CB -1.233 40.504 42.059 -0.537 0.000 0.913 221 L HN 0.177 nan 8.230 nan 0.000 0.440 222 A N -1.063 121.586 122.820 -0.284 0.000 1.902 222 A HA -0.263 4.053 4.320 -0.007 0.000 0.217 222 A C 2.231 179.676 177.584 -0.233 0.000 1.181 222 A CA 1.775 53.655 52.037 -0.262 0.000 0.623 222 A CB -1.043 17.759 19.000 -0.331 0.000 0.818 222 A HN 0.499 nan 8.150 nan 0.000 0.443 223 F N 0.946 120.676 119.950 -0.367 0.000 2.146 223 F HA -0.137 4.387 4.527 -0.005 0.000 0.298 223 F C 1.911 177.555 175.800 -0.260 0.000 1.096 223 F CA 1.197 59.023 58.000 -0.290 0.000 1.275 223 F CB -0.130 38.717 39.000 -0.255 0.000 1.008 223 F HN 0.130 nan 8.300 nan 0.000 0.480 224 I N 0.148 120.396 120.570 -0.537 0.000 2.151 224 I HA -0.271 3.895 4.170 -0.007 0.000 0.243 224 I C 2.534 178.428 176.117 -0.371 0.000 1.080 224 I CA 1.300 62.296 61.300 -0.507 0.000 1.339 224 I CB -1.759 35.932 38.000 -0.514 0.000 1.039 224 I HN 0.057 nan 8.210 nan 0.000 0.409 225 V N 0.843 120.535 119.914 -0.370 0.000 2.343 225 V HA -0.259 3.857 4.120 -0.007 0.000 0.247 225 V C 2.584 178.603 176.094 -0.125 0.000 1.051 225 V CA 1.560 63.710 62.300 -0.250 0.000 1.036 225 V CB -0.749 30.941 31.823 -0.221 0.000 0.654 225 V HN 0.339 nan 8.190 nan 0.000 0.451 226 L N 0.949 122.060 121.223 -0.187 0.000 1.989 226 L HA -0.151 4.185 4.340 -0.007 0.000 0.211 226 L C 2.460 179.256 176.870 -0.123 0.000 1.071 226 L CA 2.543 57.302 54.840 -0.135 0.000 0.749 226 L CB -0.994 40.994 42.059 -0.120 0.000 0.890 226 L HN 0.218 nan 8.230 nan 0.000 0.431 227 A N -0.774 121.854 122.820 -0.319 0.000 1.851 227 A HA -0.246 4.070 4.320 -0.007 0.000 0.216 227 A C 2.160 179.768 177.584 0.040 0.000 1.195 227 A CA 2.048 53.946 52.037 -0.233 0.000 0.622 227 A CB -1.320 17.372 19.000 -0.514 0.000 0.831 227 A HN 0.469 nan 8.150 nan 0.000 0.444 228 F N 0.253 120.120 119.950 -0.139 0.000 2.147 228 F HA -0.263 4.260 4.527 -0.008 0.000 0.301 228 F C 2.738 178.530 175.800 -0.014 0.000 1.084 228 F CA 1.088 59.064 58.000 -0.040 0.000 1.268 228 F CB -0.694 38.288 39.000 -0.031 0.000 1.009 228 F HN 0.287 nan 8.300 nan 0.000 0.486 229 A N -0.203 122.706 122.820 0.148 0.000 1.840 229 A HA 0.048 4.363 4.320 -0.007 0.000 0.214 229 A C 2.632 180.247 177.584 0.051 0.000 1.198 229 A CA 1.484 53.566 52.037 0.074 0.000 0.608 229 A CB -1.601 17.419 19.000 0.033 0.000 0.839 229 A HN 0.379 nan 8.150 nan 0.000 0.443 230 G N -0.192 108.654 108.800 0.076 0.000 2.513 230 G HA2 -0.336 3.619 3.960 -0.007 0.000 0.219 230 G HA3 -0.336 3.619 3.960 -0.007 0.000 0.219 230 G C 1.662 176.590 174.900 0.047 0.000 1.160 230 G CA 1.544 46.691 45.100 0.079 0.000 0.767 230 G HN 0.470 nan 8.290 nan 0.000 0.571 231 M N 0.657 120.405 119.600 0.246 0.000 2.117 231 M HA -0.009 4.467 4.480 -0.007 0.000 0.262 231 M C 3.085 179.413 176.300 0.047 0.000 1.065 231 M CA 1.395 56.833 55.300 0.228 0.000 1.114 231 M CB -0.334 32.366 32.600 0.166 0.000 1.361 231 M HN 0.323 nan 8.290 nan 0.000 0.408 232 A N 0.498 123.330 122.820 0.020 0.000 1.933 232 A HA -0.032 4.284 4.320 -0.007 0.000 0.218 232 A C 2.381 179.947 177.584 -0.029 0.000 1.175 232 A CA 1.868 53.904 52.037 -0.001 0.000 0.628 232 A CB -0.800 18.211 19.000 0.019 0.000 0.814 232 A HN 0.504 nan 8.150 nan 0.000 0.444 233 A N -0.736 122.050 122.820 -0.056 0.000 1.930 233 A HA 0.050 4.366 4.320 -0.007 0.000 0.217 233 A C 2.208 179.710 177.584 -0.137 0.000 1.175 233 A CA 1.687 53.666 52.037 -0.096 0.000 0.627 233 A CB -0.739 18.189 19.000 -0.119 0.000 0.815 233 A HN 0.353 nan 8.150 nan 0.000 0.443 234 V N 0.052 119.850 119.914 -0.194 0.000 2.379 234 V HA -0.273 3.842 4.120 -0.007 0.000 0.245 234 V C 2.731 178.769 176.094 -0.093 0.000 1.044 234 V CA 2.195 64.363 62.300 -0.220 0.000 1.036 234 V CB -0.713 30.866 31.823 -0.406 0.000 0.664 234 V HN 0.832 nan 8.190 nan 0.000 0.453 235 Q N -0.346 119.427 119.800 -0.046 0.000 2.096 235 Q HA -0.261 4.075 4.340 -0.007 0.000 0.204 235 Q C 2.262 178.246 176.000 -0.026 0.000 0.982 235 Q CA 1.895 57.687 55.803 -0.018 0.000 0.850 235 Q CB -0.157 28.577 28.738 -0.006 0.000 0.901 235 Q HN 0.584 nan 8.270 nan 0.000 0.422 236 Q N 0.218 119.996 119.800 -0.036 0.000 2.119 236 Q HA 0.024 4.360 4.340 -0.007 0.000 0.201 236 Q C 0.436 176.408 176.000 -0.046 0.000 0.972 236 Q CA 0.900 56.682 55.803 -0.034 0.000 0.847 236 Q CB -0.351 28.366 28.738 -0.035 0.000 0.903 236 Q HN 0.462 nan 8.270 nan 0.000 0.433 237 A N 1.989 124.770 122.820 -0.065 0.000 2.520 237 A HA 0.118 4.434 4.320 -0.007 0.000 0.245 237 A C -0.178 177.372 177.584 -0.057 0.000 1.072 237 A CA 0.415 52.407 52.037 -0.075 0.000 0.761 237 A CB 0.102 19.039 19.000 -0.105 0.000 1.004 237 A HN 0.162 nan 8.150 nan 0.000 0.499 238 E N 0.765 120.930 120.200 -0.059 0.000 2.367 238 E HA 0.452 4.798 4.350 -0.007 0.000 0.273 238 E C -0.747 175.821 176.600 -0.054 0.000 0.903 238 E CA -0.913 55.460 56.400 -0.045 0.000 0.764 238 E CB 2.272 31.953 29.700 -0.033 0.000 1.252 238 E HN 0.651 nan 8.360 nan 0.000 0.446 239 R N 2.131 122.609 120.500 -0.037 0.000 2.343 239 R HA 0.360 4.696 4.340 -0.007 0.000 0.320 239 R C -0.843 175.450 176.300 -0.012 0.000 0.956 239 R CA -0.570 55.509 56.100 -0.035 0.000 0.836 239 R CB 0.867 31.151 30.300 -0.027 0.000 1.151 239 R HN 0.489 nan 8.270 nan 0.000 0.450 240 R N 4.728 125.207 120.500 -0.036 0.000 2.221 240 R HA 0.339 4.675 4.340 -0.007 0.000 0.327 240 R C -0.285 176.050 176.300 0.058 0.000 1.033 240 R CA -0.379 55.721 56.100 0.000 0.000 0.887 240 R CB 1.142 31.325 30.300 -0.196 0.000 1.057 240 R HN 0.481 nan 8.270 nan 0.000 0.455 241 I N 5.599 126.239 120.570 0.117 0.000 2.304 241 I HA 0.232 4.398 4.170 -0.007 0.000 0.291 241 I C -2.046 174.143 176.117 0.120 0.000 1.018 241 I CA -2.451 58.933 61.300 0.139 0.000 1.260 241 I CB 1.644 39.747 38.000 0.172 0.000 1.390 241 I HN 0.257 nan 8.210 nan 0.000 0.475 242 P HA 0.113 nan 4.420 nan 0.000 0.276 242 P C -0.588 176.676 177.300 -0.060 0.000 1.230 242 P CA -0.173 62.948 63.100 0.034 0.000 0.776 242 P CB 0.857 32.563 31.700 0.010 0.000 0.888 243 V N 0.894 120.739 119.914 -0.115 0.000 3.103 243 V HA 0.717 4.832 4.120 -0.007 0.000 0.318 243 V C -0.732 175.088 176.094 -0.456 0.000 1.114 243 V CA -0.769 61.335 62.300 -0.327 0.000 1.020 243 V CB 1.843 33.471 31.823 -0.325 0.000 1.085 243 V HN 0.527 nan 8.190 nan 0.000 0.446 244 Q N 0.076 119.342 119.800 -0.891 0.000 2.353 244 Q HA 0.521 4.857 4.340 -0.007 0.000 0.275 244 Q C -2.431 172.966 176.000 -1.006 0.000 1.029 244 Q CA -0.622 54.683 55.803 -0.829 0.000 0.848 244 Q CB 2.891 31.098 28.738 -0.886 0.000 1.390 244 Q HN 0.872 nan 8.270 nan 0.000 0.401 245 Y N 0.074 120.195 120.300 -0.298 0.000 2.429 245 Y HA 0.700 5.246 4.550 -0.007 0.000 0.342 245 Y C 0.277 176.217 175.900 0.066 0.000 1.004 245 Y CA -0.519 57.502 58.100 -0.133 0.000 1.075 245 Y CB 2.184 40.559 38.460 -0.142 0.000 1.214 245 Y HN 0.734 nan 8.280 nan 0.000 0.455 246 A N 3.504 126.498 122.820 0.290 0.000 2.313 246 A HA 0.510 4.825 4.320 -0.007 0.000 0.261 246 A C 0.294 178.015 177.584 0.227 0.000 1.090 246 A CA -0.553 51.635 52.037 0.252 0.000 0.807 246 A CB 0.411 19.536 19.000 0.207 0.000 1.055 246 A HN 0.931 nan 8.150 nan 0.000 0.492 256 G N -0.230 108.723 108.800 0.254 0.000 2.629 256 G HA2 0.361 4.317 3.960 -0.007 0.000 0.154 256 G HA3 0.361 4.317 3.960 -0.007 0.000 0.154 256 G C -0.467 174.571 174.900 0.229 0.000 1.077 256 G CA -0.269 44.932 45.100 0.169 0.000 0.831 256 G HN 1.367 nan 8.290 nan 0.000 0.495 257 G N -0.488 108.431 108.800 0.197 0.000 2.990 257 G HA2 0.686 4.642 3.960 -0.007 0.000 0.300 257 G HA3 0.686 4.642 3.960 -0.007 0.000 0.300 257 G C -0.608 174.380 174.900 0.146 0.000 1.498 257 G CA 0.033 45.256 45.100 0.205 0.000 1.074 257 G HN 0.526 nan 8.290 nan 0.000 0.542 258 Q N 0.234 120.125 119.800 0.152 0.000 2.648 258 Q HA 0.706 5.042 4.340 -0.007 0.000 0.300 258 Q C -0.799 175.267 176.000 0.110 0.000 0.954 258 Q CA -0.881 54.982 55.803 0.099 0.000 0.757 258 Q CB 2.359 31.135 28.738 0.063 0.000 1.482 258 Q HN 0.745 nan 8.270 nan 0.000 0.437 259 A N 0.437 123.292 122.820 0.057 0.000 2.316 259 A HA 0.793 5.109 4.320 -0.007 0.000 0.284 259 A C -0.607 177.013 177.584 0.060 0.000 1.115 259 A CA 0.195 52.249 52.037 0.029 0.000 0.812 259 A CB 0.858 19.863 19.000 0.008 0.000 1.064 259 A HN 0.643 nan 8.150 nan 0.000 0.489 260 T N -0.401 114.184 114.554 0.052 0.000 2.647 260 T HA 0.658 5.003 4.350 -0.007 0.000 0.295 260 T C -1.370 173.380 174.700 0.083 0.000 1.126 260 T CA -0.250 61.870 62.100 0.032 0.000 1.040 260 T CB 1.047 69.913 68.868 -0.003 0.000 1.472 260 T HN 0.908 nan 8.240 nan 0.000 0.500 261 Y N -0.629 119.675 120.300 0.007 0.000 2.492 261 Y HA 0.847 5.393 4.550 -0.007 0.000 0.346 261 Y C -1.339 174.563 175.900 0.003 0.000 0.997 261 Y CA -1.587 56.511 58.100 -0.004 0.000 1.025 261 Y CB 0.862 39.320 38.460 -0.004 0.000 1.263 261 Y HN 0.598 nan 8.280 nan 0.000 0.454 262 I N 6.266 126.909 120.570 0.121 0.000 2.304 262 I HA 0.483 4.649 4.170 -0.007 0.000 0.291 262 I C -2.551 173.653 176.117 0.145 0.000 1.018 262 I CA -2.818 58.523 61.300 0.068 0.000 1.260 262 I CB 1.300 39.319 38.000 0.031 0.000 1.390 262 I HN 0.474 nan 8.210 nan 0.000 0.475 263 P HA 0.280 nan 4.420 nan 0.000 0.287 263 P C -1.063 176.265 177.300 0.047 0.000 1.281 263 P CA -0.265 62.924 63.100 0.149 0.000 0.781 263 P CB 0.972 32.780 31.700 0.180 0.000 0.903 264 I N 3.619 124.204 120.570 0.025 0.000 2.359 264 I HA 0.295 4.460 4.170 -0.007 0.000 0.284 264 I C 0.914 177.019 176.117 -0.020 0.000 1.018 264 I CA -0.791 60.500 61.300 -0.015 0.000 1.173 264 I CB 0.647 38.630 38.000 -0.027 0.000 1.326 264 I HN 0.223 nan 8.210 nan 0.000 0.462 265 K N 4.470 124.853 120.400 -0.027 0.000 2.138 265 K HA 0.335 4.650 4.320 -0.007 0.000 0.251 265 K C 1.044 177.631 176.600 -0.021 0.000 1.015 265 K CA -0.492 55.782 56.287 -0.022 0.000 0.917 265 K CB 1.469 33.958 32.500 -0.018 0.000 1.021 265 K HN 0.421 nan 8.250 nan 0.000 0.485 266 L N 0.866 122.085 121.223 -0.007 0.000 2.162 266 L HA -0.050 4.286 4.340 -0.007 0.000 0.205 266 L C 0.244 177.136 176.870 0.037 0.000 1.086 266 L CA 0.839 55.691 54.840 0.020 0.000 0.778 266 L CB 0.061 42.133 42.059 0.023 0.000 0.928 266 L HN 0.510 nan 8.230 nan 0.000 0.446 267 N N 0.219 118.943 118.700 0.039 0.000 2.558 267 N HA 0.328 5.064 4.740 -0.007 0.000 0.285 267 N C -0.800 174.748 175.510 0.064 0.000 1.112 267 N CA -0.221 52.867 53.050 0.064 0.000 0.857 267 N CB 1.801 40.348 38.487 0.100 0.000 1.376 267 N HN -0.062 nan 8.380 nan 0.000 0.526 268 A N 1.542 124.403 122.820 0.069 0.000 2.524 268 A HA 0.432 4.748 4.320 -0.007 0.000 0.250 268 A C 1.054 178.773 177.584 0.225 0.000 1.078 268 A CA -0.066 52.020 52.037 0.081 0.000 0.761 268 A CB -0.149 18.831 19.000 -0.033 0.000 1.012 268 A HN 0.813 nan 8.150 nan 0.000 0.500 269 A N 2.864 125.769 122.820 0.142 0.000 1.667 269 A HA 0.035 4.351 4.320 -0.007 0.000 0.268 269 A C 1.366 178.979 177.584 0.048 0.000 1.143 269 A CA 0.882 52.979 52.037 0.099 0.000 1.024 269 A CB -1.232 17.815 19.000 0.079 0.000 1.011 269 A HN 1.996 nan 8.150 nan 0.000 0.293 270 G N 0.658 109.451 108.800 -0.012 0.000 3.352 270 G HA2 0.233 4.189 3.960 -0.007 0.000 0.236 270 G HA3 0.233 4.189 3.960 -0.007 0.000 0.236 270 G C 0.943 175.709 174.900 -0.223 0.000 1.324 270 G CA 0.492 45.497 45.100 -0.158 0.000 1.404 270 G HN 0.724 nan 8.290 nan 0.000 0.542 271 V N 0.527 120.305 119.914 -0.226 0.000 2.453 271 V HA -0.111 4.005 4.120 -0.007 0.000 0.247 271 V C 2.554 178.525 176.094 -0.205 0.000 1.048 271 V CA 0.856 63.058 62.300 -0.163 0.000 1.049 271 V CB -0.370 31.387 31.823 -0.110 0.000 0.672 271 V HN 0.391 nan 8.190 nan 0.000 0.457 272 I N 0.774 121.109 120.570 -0.392 0.000 2.339 272 I HA -0.013 4.153 4.170 -0.007 0.000 0.245 272 I C 0.134 176.055 176.117 -0.327 0.000 1.096 272 I CA 1.007 62.088 61.300 -0.366 0.000 1.408 272 I CB -2.822 34.880 38.000 -0.496 0.000 1.092 272 I HN 0.337 nan 8.210 nan 0.000 0.423 273 P HA -0.094 nan 4.420 nan 0.000 0.222 273 P C 2.034 179.360 177.300 0.043 0.000 1.147 273 P CA 1.426 64.476 63.100 -0.084 0.000 0.790 273 P CB 0.126 31.766 31.700 -0.100 0.000 0.780 274 I N -0.705 119.835 120.570 -0.051 0.000 2.277 274 I HA -0.133 4.032 4.170 -0.007 0.000 0.243 274 I C 2.598 178.699 176.117 -0.027 0.000 1.094 274 I CA 0.962 62.241 61.300 -0.036 0.000 1.393 274 I CB -0.491 37.493 38.000 -0.027 0.000 1.078 274 I HN -0.212 nan 8.210 nan 0.000 0.417 275 I N 0.141 120.724 120.570 0.021 0.000 2.286 275 I HA -0.295 3.871 4.170 -0.007 0.000 0.248 275 I C 2.392 178.495 176.117 -0.024 0.000 1.115 275 I CA 1.426 62.739 61.300 0.021 0.000 1.392 275 I CB -0.332 37.715 38.000 0.078 0.000 1.065 275 I HN 0.070 nan 8.210 nan 0.000 0.418 276 F N 1.303 121.149 119.950 -0.173 0.000 2.026 276 F HA -0.288 4.234 4.527 -0.007 0.000 0.296 276 F C 2.677 178.178 175.800 -0.499 0.000 1.133 276 F CA 1.652 59.545 58.000 -0.178 0.000 1.188 276 F CB -1.095 37.980 39.000 0.126 0.000 0.968 276 F HN 0.015 nan 8.300 nan 0.000 0.476 277 A N -0.178 122.282 122.820 -0.600 0.000 1.917 277 A HA -0.190 4.126 4.320 -0.007 0.000 0.219 277 A C 2.408 179.686 177.584 -0.509 0.000 1.182 277 A CA 2.313 53.803 52.037 -0.912 0.000 0.633 277 A CB -1.483 17.122 19.000 -0.657 0.000 0.819 277 A HN 0.397 nan 8.150 nan 0.000 0.448 278 A N -0.189 122.394 122.820 -0.394 0.000 1.865 278 A HA 0.111 4.427 4.320 -0.007 0.000 0.217 278 A C 2.583 179.831 177.584 -0.559 0.000 1.191 278 A CA 2.530 54.283 52.037 -0.474 0.000 0.623 278 A CB -1.297 17.309 19.000 -0.655 0.000 0.826 278 A HN 1.218 nan 8.150 nan 0.000 0.444 279 A N 0.196 122.688 122.820 -0.546 0.000 1.859 279 A HA -0.178 4.138 4.320 -0.007 0.000 0.217 279 A C 2.025 179.381 177.584 -0.380 0.000 1.198 279 A CA 1.950 53.704 52.037 -0.472 0.000 0.629 279 A CB -0.722 18.009 19.000 -0.447 0.000 0.830 279 A HN 0.439 nan 8.150 nan 0.000 0.446 280 I N -0.641 119.708 120.570 -0.367 0.000 2.145 280 I HA -0.253 3.913 4.170 -0.007 0.000 0.244 280 I C 2.471 178.441 176.117 -0.246 0.000 1.075 280 I CA 1.671 62.806 61.300 -0.275 0.000 1.332 280 I CB -1.491 36.351 38.000 -0.262 0.000 1.033 280 I HN 0.396 nan 8.210 nan 0.000 0.410 281 L N 0.656 121.731 121.223 -0.247 0.000 2.191 281 L HA -0.197 4.139 4.340 -0.007 0.000 0.212 281 L C 2.466 179.224 176.870 -0.185 0.000 1.103 281 L CA 1.649 56.394 54.840 -0.158 0.000 0.769 281 L CB -0.538 41.460 42.059 -0.101 0.000 0.908 281 L HN 0.295 nan 8.230 nan 0.000 0.438 282 Q N -1.093 118.573 119.800 -0.223 0.000 2.311 282 Q HA -0.089 4.246 4.340 -0.007 0.000 0.203 282 Q C 2.018 177.925 176.000 -0.155 0.000 0.954 282 Q CA 0.647 56.340 55.803 -0.183 0.000 0.885 282 Q CB 0.057 28.667 28.738 -0.214 0.000 0.963 282 Q HN 0.447 nan 8.270 nan 0.000 0.471 283 I N 1.213 121.664 120.570 -0.199 0.000 2.118 283 I HA -0.204 3.962 4.170 -0.007 0.000 0.241 283 I C -0.624 175.400 176.117 -0.155 0.000 1.070 283 I CA 1.434 62.644 61.300 -0.149 0.000 1.327 283 I CB -2.454 35.441 38.000 -0.175 0.000 1.034 283 I HN 0.081 nan 8.210 nan 0.000 0.405 284 P HA -0.126 nan 4.420 nan 0.000 0.214 284 P C 2.180 179.355 177.300 -0.209 0.000 1.163 284 P CA 1.384 64.210 63.100 -0.456 0.000 0.883 284 P CB 0.023 30.904 31.700 -1.364 0.000 0.788 285 I N -1.683 118.777 120.570 -0.183 0.000 2.091 285 I HA -0.268 3.897 4.170 -0.007 0.000 0.239 285 I C 2.273 178.314 176.117 -0.127 0.000 1.061 285 I CA 1.641 62.865 61.300 -0.126 0.000 1.317 285 I CB -0.959 36.951 38.000 -0.149 0.000 1.031 285 I HN -0.156 nan 8.210 nan 0.000 0.401 286 F N 0.693 120.529 119.950 -0.191 0.000 2.161 286 F HA -0.244 4.279 4.527 -0.007 0.000 0.300 286 F C 2.129 177.980 175.800 0.085 0.000 1.089 286 F CA 1.734 59.675 58.000 -0.098 0.000 1.282 286 F CB -0.225 38.732 39.000 -0.072 0.000 1.010 286 F HN -0.066 nan 8.300 nan 0.000 0.485 287 L N -0.626 120.629 121.223 0.053 0.000 2.095 287 L HA -0.042 4.294 4.340 -0.007 0.000 0.204 287 L C 2.685 179.725 176.870 0.283 0.000 1.080 287 L CA 1.093 55.984 54.840 0.086 0.000 0.759 287 L CB -0.953 41.145 42.059 0.065 0.000 0.914 287 L HN 0.177 nan 8.230 nan 0.000 0.439 288 A N -0.457 122.459 122.820 0.160 0.000 1.935 288 A HA 0.117 4.432 4.320 -0.007 0.000 0.214 288 A C 2.433 180.141 177.584 0.207 0.000 1.178 288 A CA 1.069 53.237 52.037 0.219 0.000 0.640 288 A CB -0.480 18.602 19.000 0.136 0.000 0.825 288 A HN 0.315 nan 8.150 nan 0.000 0.447 289 A N 0.452 123.287 122.820 0.025 0.000 1.929 289 A HA 0.057 4.373 4.320 -0.007 0.000 0.216 289 A C -0.319 177.321 177.584 0.093 0.000 1.176 289 A CA 1.514 53.535 52.037 -0.027 0.000 0.628 289 A CB -1.409 17.341 19.000 -0.416 0.000 0.816 289 A HN 0.435 nan 8.150 nan 0.000 0.444 290 P HA 0.029 nan 4.420 nan 0.000 0.242 290 P C -0.368 176.831 177.300 -0.169 0.000 1.197 290 P CA 0.433 63.464 63.100 -0.114 0.000 0.765 290 P CB -0.288 31.096 31.700 -0.527 0.000 0.936 291 F N 0.432 120.457 119.950 0.126 0.000 2.384 291 F HA 0.195 4.717 4.527 -0.007 0.000 0.359 291 F C 1.713 177.608 175.800 0.158 0.000 1.143 291 F CA -0.381 57.688 58.000 0.114 0.000 1.216 291 F CB 0.610 39.661 39.000 0.085 0.000 1.512 291 F HN -0.210 nan 8.300 nan 0.000 0.573 292 Q N 1.097 121.075 119.800 0.296 0.000 2.084 292 Q HA -0.147 4.189 4.340 -0.007 0.000 0.202 292 Q C 1.267 177.397 176.000 0.217 0.000 0.978 292 Q CA 1.484 57.452 55.803 0.274 0.000 0.844 292 Q CB -0.021 28.850 28.738 0.222 0.000 0.898 292 Q HN 0.587 nan 8.270 nan 0.000 0.426 293 D N 0.070 120.580 120.400 0.183 0.000 2.347 293 D HA -0.048 4.587 4.640 -0.007 0.000 0.213 293 D C 0.325 176.700 176.300 0.126 0.000 0.985 293 D CA 0.199 54.279 54.000 0.133 0.000 0.879 293 D CB -0.170 40.691 40.800 0.101 0.000 0.919 293 D HN 0.058 nan 8.370 nan 0.000 0.526 294 N N 1.282 120.076 118.700 0.156 0.000 2.406 294 N HA 0.081 4.817 4.740 -0.007 0.000 0.251 294 N C -1.900 173.678 175.510 0.113 0.000 1.069 294 N CA -1.746 51.371 53.050 0.112 0.000 0.947 294 N CB 1.809 40.348 38.487 0.087 0.000 1.111 294 N HN -0.193 nan 8.380 nan 0.000 0.497 295 P HA -0.080 nan 4.420 nan 0.000 0.217 295 P C 1.297 178.642 177.300 0.076 0.000 1.151 295 P CA 0.557 63.706 63.100 0.083 0.000 0.828 295 P CB 0.399 32.137 31.700 0.063 0.000 0.788 296 V N -0.203 119.745 119.914 0.057 0.000 2.343 296 V HA -0.219 3.897 4.120 -0.007 0.000 0.247 296 V C 2.480 178.613 176.094 0.064 0.000 1.051 296 V CA 1.618 63.945 62.300 0.045 0.000 1.036 296 V CB -1.324 30.512 31.823 0.021 0.000 0.654 296 V HN 0.064 nan 8.190 nan 0.000 0.451 297 L N -0.483 120.789 121.223 0.081 0.000 2.109 297 L HA -0.135 4.201 4.340 -0.007 0.000 0.207 297 L C 2.823 179.782 176.870 0.148 0.000 1.086 297 L CA 1.147 56.058 54.840 0.119 0.000 0.760 297 L CB -0.550 41.602 42.059 0.155 0.000 0.910 297 L HN 0.338 nan 8.230 nan 0.000 0.437 298 Q N -0.165 119.725 119.800 0.150 0.000 2.124 298 Q HA -0.122 4.214 4.340 -0.007 0.000 0.202 298 Q C 2.248 178.333 176.000 0.142 0.000 0.977 298 Q CA 1.568 57.465 55.803 0.155 0.000 0.850 298 Q CB -0.554 28.279 28.738 0.159 0.000 0.901 298 Q HN 0.560 nan 8.270 nan 0.000 0.429 299 G N 1.607 110.481 108.800 0.123 0.000 2.446 299 G HA2 -0.214 3.741 3.960 -0.007 0.000 0.217 299 G HA3 -0.214 3.741 3.960 -0.007 0.000 0.217 299 G C 1.502 176.499 174.900 0.163 0.000 1.168 299 G CA 0.631 45.804 45.100 0.122 0.000 0.771 299 G HN 0.217 nan 8.290 nan 0.000 0.551 300 I N 1.987 122.648 120.570 0.153 0.000 2.127 300 I HA -0.200 3.966 4.170 -0.007 0.000 0.241 300 I C 3.271 179.619 176.117 0.386 0.000 1.075 300 I CA 1.478 62.912 61.300 0.224 0.000 1.334 300 I CB -1.464 36.639 38.000 0.172 0.000 1.040 300 I HN 0.275 nan 8.210 nan 0.000 0.405 301 A N 0.787 123.762 122.820 0.259 0.000 1.873 301 A HA -0.243 4.073 4.320 -0.007 0.000 0.215 301 A C 2.134 179.862 177.584 0.241 0.000 1.186 301 A CA 2.103 54.271 52.037 0.219 0.000 0.616 301 A CB -0.985 18.064 19.000 0.081 0.000 0.823 301 A HN 0.467 nan 8.150 nan 0.000 0.442 302 N N -1.449 117.368 118.700 0.196 0.000 2.520 302 N HA -0.080 4.656 4.740 -0.007 0.000 0.185 302 N C 1.146 176.750 175.510 0.157 0.000 1.068 302 N CA 0.866 54.005 53.050 0.149 0.000 0.911 302 N CB -0.456 38.102 38.487 0.119 0.000 0.961 302 N HN 0.444 nan 8.380 nan 0.000 0.446 303 F N -0.315 119.658 119.950 0.037 0.000 2.146 303 F HA 0.024 4.546 4.527 -0.008 0.000 0.298 303 F C 1.139 176.825 175.800 -0.190 0.000 1.096 303 F CA 1.315 59.242 58.000 -0.121 0.000 1.275 303 F CB -0.208 38.647 39.000 -0.243 0.000 1.008 303 F HN 0.001 nan 8.300 nan 0.000 0.480 304 F N -0.161 119.870 119.950 0.134 0.000 2.797 304 F HA 0.086 4.610 4.527 -0.004 0.000 0.302 304 F C 0.826 176.612 175.800 -0.025 0.000 1.130 304 F CA -0.153 57.867 58.000 0.032 0.000 1.387 304 F CB -0.927 38.129 39.000 0.093 0.000 1.107 304 F HN -0.150 nan 8.300 nan 0.000 0.577 305 N N 2.745 121.516 118.700 0.118 0.000 2.386 305 N HA -0.057 4.679 4.740 -0.007 0.000 0.273 305 N C -1.937 173.587 175.510 0.024 0.000 1.331 305 N CA -1.052 52.032 53.050 0.057 0.000 0.891 305 N CB 0.899 39.408 38.487 0.037 0.000 1.139 305 N HN -0.010 nan 8.380 nan 0.000 0.487 306 P HA -0.033 nan 4.420 nan 0.000 0.225 306 P C 0.832 178.155 177.300 0.038 0.000 1.148 306 P CA 1.013 64.138 63.100 0.042 0.000 0.779 306 P CB 0.314 32.056 31.700 0.071 0.000 0.780 307 T N -1.068 113.505 114.554 0.032 0.000 2.732 307 T HA -0.006 4.340 4.350 -0.007 0.000 0.261 307 T C 0.989 175.689 174.700 0.001 0.000 1.040 307 T CA 0.621 62.736 62.100 0.025 0.000 1.145 307 T CB -0.368 68.506 68.868 0.010 0.000 0.866 307 T HN 0.100 nan 8.240 nan 0.000 0.427 308 R N 1.594 122.084 120.500 -0.017 0.000 2.623 308 R HA 0.080 4.415 4.340 -0.007 0.000 0.271 308 R C -1.757 174.510 176.300 -0.055 0.000 1.043 308 R CA -1.291 54.785 56.100 -0.039 0.000 1.083 308 R CB 0.135 30.406 30.300 -0.048 0.000 0.974 308 R HN 0.140 nan 8.270 nan 0.000 0.436 309 P HA -0.205 nan 4.420 nan 0.000 0.216 309 P C 1.225 178.473 177.300 -0.086 0.000 1.150 309 P CA 1.201 64.267 63.100 -0.056 0.000 0.837 309 P CB 0.183 31.843 31.700 -0.066 0.000 0.786 310 S N -0.760 114.832 115.700 -0.181 0.000 2.359 310 S HA -0.124 4.342 4.470 -0.007 0.000 0.224 310 S C 2.182 176.533 174.600 -0.416 0.000 1.035 310 S CA 1.895 59.879 58.200 -0.359 0.000 1.018 310 S CB -1.432 61.416 63.200 -0.587 0.000 0.876 310 S HN 0.211 nan 8.310 nan 0.000 0.448 311 G N 1.280 109.875 108.800 -0.341 0.000 2.394 311 G HA2 -0.091 3.864 3.960 -0.007 0.000 0.215 311 G HA3 -0.091 3.864 3.960 -0.007 0.000 0.215 311 G C 1.393 176.244 174.900 -0.081 0.000 1.165 311 G CA 0.922 45.886 45.100 -0.227 0.000 0.784 311 G HN 0.505 nan 8.290 nan 0.000 0.535 312 L N -0.217 120.987 121.223 -0.031 0.000 2.042 312 L HA 0.034 4.370 4.340 -0.007 0.000 0.210 312 L C 2.395 179.303 176.870 0.063 0.000 1.076 312 L CA 1.650 56.506 54.840 0.026 0.000 0.749 312 L CB -0.637 41.447 42.059 0.041 0.000 0.893 312 L HN 0.205 nan 8.230 nan 0.000 0.432 313 F N -0.311 119.579 119.950 -0.101 0.000 2.146 313 F HA -0.183 4.343 4.527 -0.000 0.000 0.298 313 F C 2.212 177.971 175.800 -0.069 0.000 1.096 313 F CA 1.349 59.298 58.000 -0.085 0.000 1.275 313 F CB -0.238 38.697 39.000 -0.109 0.000 1.008 313 F HN 0.037 nan 8.300 nan 0.000 0.480 314 I N 0.658 121.125 120.570 -0.172 0.000 2.286 314 I HA -0.256 3.910 4.170 -0.007 0.000 0.248 314 I C 2.401 178.450 176.117 -0.114 0.000 1.115 314 I CA 1.476 62.665 61.300 -0.185 0.000 1.392 314 I CB -1.554 36.387 38.000 -0.098 0.000 1.065 314 I HN 0.350 nan 8.210 nan 0.000 0.418 315 E N 0.734 120.895 120.200 -0.066 0.000 2.047 315 E HA -0.185 4.161 4.350 -0.007 0.000 0.191 315 E C 2.409 178.965 176.600 -0.073 0.000 0.987 315 E CA 1.221 57.592 56.400 -0.047 0.000 0.799 315 E CB 0.082 29.778 29.700 -0.006 0.000 0.752 315 E HN 0.199 nan 8.360 nan 0.000 0.449 316 V N 0.999 120.864 119.914 -0.082 0.000 2.427 316 V HA -0.181 3.935 4.120 -0.007 0.000 0.248 316 V C 2.219 178.243 176.094 -0.117 0.000 1.051 316 V CA 1.310 63.570 62.300 -0.067 0.000 1.048 316 V CB -0.240 31.582 31.823 -0.002 0.000 0.666 316 V HN 0.348 nan 8.190 nan 0.000 0.456 317 L N -0.851 120.217 121.223 -0.258 0.000 2.191 317 L HA -0.153 4.182 4.340 -0.007 0.000 0.212 317 L C 2.420 179.241 176.870 -0.081 0.000 1.103 317 L CA 0.988 55.684 54.840 -0.240 0.000 0.769 317 L CB -0.577 41.228 42.059 -0.424 0.000 0.908 317 L HN 0.358 nan 8.230 nan 0.000 0.438 318 L N -0.607 120.579 121.223 -0.063 0.000 2.044 318 L HA -0.112 4.224 4.340 -0.007 0.000 0.205 318 L C 2.425 179.329 176.870 0.057 0.000 1.075 318 L CA 1.464 56.310 54.840 0.010 0.000 0.747 318 L CB -0.498 41.495 42.059 -0.110 0.000 0.903 318 L HN -0.080 nan 8.230 nan 0.000 0.435 319 V N -0.234 119.673 119.914 -0.012 0.000 2.407 319 V HA -0.289 3.827 4.120 -0.007 0.000 0.248 319 V C 2.494 178.647 176.094 0.098 0.000 1.055 319 V CA 1.182 63.496 62.300 0.024 0.000 1.049 319 V CB -0.550 31.269 31.823 -0.008 0.000 0.662 319 V HN 0.275 nan 8.190 nan 0.000 0.455 320 I N -0.534 120.080 120.570 0.073 0.000 2.076 320 I HA -0.244 3.922 4.170 -0.007 0.000 0.237 320 I C 2.423 178.632 176.117 0.153 0.000 1.059 320 I CA 1.770 63.124 61.300 0.089 0.000 1.317 320 I CB -1.204 36.809 38.000 0.022 0.000 1.037 320 I HN 0.295 nan 8.210 nan 0.000 0.398 321 L N 0.282 121.596 121.223 0.152 0.000 1.990 321 L HA -0.226 4.110 4.340 -0.007 0.000 0.213 321 L C 2.441 179.436 176.870 0.208 0.000 1.072 321 L CA 1.952 56.886 54.840 0.157 0.000 0.755 321 L CB -0.898 41.255 42.059 0.156 0.000 0.889 321 L HN 0.027 nan 8.230 nan 0.000 0.432 322 F N -0.797 119.192 119.950 0.065 0.000 2.171 322 F HA -0.209 4.313 4.527 -0.007 0.000 0.300 322 F C 2.446 178.292 175.800 0.076 0.000 1.090 322 F CA 1.717 59.758 58.000 0.068 0.000 1.293 322 F CB -1.183 37.846 39.000 0.050 0.000 1.013 322 F HN 0.077 nan 8.300 nan 0.000 0.486 323 T N -1.281 113.427 114.554 0.256 0.000 2.732 323 T HA -0.223 4.123 4.350 -0.007 0.000 0.261 323 T C 1.703 176.521 174.700 0.197 0.000 1.040 323 T CA 1.363 63.575 62.100 0.187 0.000 1.145 323 T CB -0.793 68.165 68.868 0.151 0.000 0.866 323 T HN 0.255 nan 8.240 nan 0.000 0.427 324 Y N 1.914 122.260 120.300 0.076 0.000 2.081 324 Y HA -0.228 4.318 4.550 -0.006 0.000 0.280 324 Y C 2.365 178.274 175.900 0.016 0.000 1.163 324 Y CA 1.283 59.404 58.100 0.035 0.000 1.135 324 Y CB -0.570 37.894 38.460 0.006 0.000 0.970 324 Y HN -0.041 nan 8.280 nan 0.000 0.498 325 V N -0.526 119.506 119.914 0.195 0.000 2.626 325 V HA -0.281 3.835 4.120 -0.007 0.000 0.252 325 V C 1.826 177.917 176.094 -0.005 0.000 1.067 325 V CA 1.970 64.310 62.300 0.066 0.000 1.081 325 V CB -1.067 30.755 31.823 -0.003 0.000 0.686 325 V HN 0.554 nan 8.190 nan 0.000 0.468 326 Y N 1.526 121.769 120.300 -0.094 0.000 2.114 326 Y HA -0.211 4.335 4.550 -0.007 0.000 0.284 326 Y C 2.768 178.589 175.900 -0.132 0.000 1.119 326 Y CA 2.363 60.393 58.100 -0.117 0.000 1.108 326 Y CB -0.647 37.754 38.460 -0.098 0.000 0.995 326 Y HN 0.167 nan 8.280 nan 0.000 0.491 327 T N 0.886 115.446 114.554 0.011 0.000 2.665 327 T HA -0.265 4.081 4.350 -0.007 0.000 0.268 327 T C 2.041 176.588 174.700 -0.255 0.000 1.035 327 T CA 1.772 63.799 62.100 -0.122 0.000 1.151 327 T CB -0.918 67.921 68.868 -0.048 0.000 0.862 327 T HN 0.502 nan 8.240 nan 0.000 0.438 328 A N 0.792 123.421 122.820 -0.319 0.000 1.972 328 A HA 0.066 4.382 4.320 -0.007 0.000 0.219 328 A C 1.400 178.839 177.584 -0.242 0.000 1.169 328 A CA 0.825 52.649 52.037 -0.356 0.000 0.635 328 A CB -0.332 18.335 19.000 -0.553 0.000 0.810 328 A HN 0.369 nan 8.150 nan 0.000 0.446 329 V N 1.618 121.399 119.914 -0.221 0.000 2.247 329 V HA 0.197 4.313 4.120 -0.007 0.000 0.262 329 V C -0.247 175.697 176.094 -0.250 0.000 1.096 329 V CA -0.107 62.086 62.300 -0.178 0.000 0.895 329 V CB 0.228 31.982 31.823 -0.115 0.000 1.141 329 V HN 0.529 nan 8.190 nan 0.000 0.478 330 Q N 4.825 124.448 119.800 -0.295 0.000 2.470 330 Q HA 0.248 4.584 4.340 -0.007 0.000 0.389 330 Q C 0.172 175.727 176.000 -0.741 0.000 0.888 330 Q CA -0.694 54.818 55.803 -0.485 0.000 1.106 330 Q CB 0.682 29.116 28.738 -0.508 0.000 1.368 330 Q HN 0.920 nan 8.270 nan 0.000 0.403 331 F N -0.893 118.996 119.950 -0.100 0.000 2.805 331 F HA -0.347 4.176 4.527 -0.007 0.000 0.217 331 F C -0.179 175.589 175.800 -0.053 0.000 1.035 331 F CA 0.324 58.284 58.000 -0.068 0.000 0.835 331 F CB -1.696 37.271 39.000 -0.056 0.000 0.687 331 F HN 0.145 nan 8.300 nan 0.000 0.844 332 D N 2.116 122.475 120.400 -0.069 0.000 1.913 332 D HA 0.024 4.660 4.640 -0.007 0.000 0.280 332 D C -0.115 176.182 176.300 -0.004 0.000 1.012 332 D CA 0.878 54.827 54.000 -0.086 0.000 0.892 332 D CB -1.376 39.355 40.800 -0.116 0.000 1.119 332 D HN 0.240 nan 8.370 nan 0.000 0.434 333 P HA -0.135 nan 4.420 nan 0.000 0.211 333 P C 1.332 178.656 177.300 0.040 0.000 1.181 333 P CA 1.576 64.690 63.100 0.023 0.000 0.929 333 P CB 0.033 31.748 31.700 0.025 0.000 0.789 334 K N -0.730 119.696 120.400 0.043 0.000 2.113 334 K HA -0.194 4.122 4.320 -0.007 0.000 0.208 334 K C 2.372 179.001 176.600 0.048 0.000 1.047 334 K CA 1.178 57.491 56.287 0.043 0.000 0.928 334 K CB -0.292 32.230 32.500 0.037 0.000 0.716 334 K HN 0.041 nan 8.250 nan 0.000 0.446 335 R N 0.757 121.295 120.500 0.064 0.000 2.073 335 R HA -0.085 4.250 4.340 -0.007 0.000 0.229 335 R C 2.200 178.539 176.300 0.065 0.000 1.120 335 R CA 0.861 57.004 56.100 0.072 0.000 0.967 335 R CB -0.034 30.333 30.300 0.112 0.000 0.862 335 R HN 0.066 nan 8.270 nan 0.000 0.436 336 I N 1.147 121.754 120.570 0.061 0.000 2.151 336 I HA -0.252 3.914 4.170 -0.007 0.000 0.243 336 I C 2.552 178.690 176.117 0.035 0.000 1.080 336 I CA 1.599 62.927 61.300 0.046 0.000 1.339 336 I CB -1.624 36.395 38.000 0.032 0.000 1.039 336 I HN 0.200 nan 8.210 nan 0.000 0.409 337 A N 0.181 123.023 122.820 0.037 0.000 1.908 337 A HA -0.209 4.106 4.320 -0.007 0.000 0.218 337 A C 2.301 179.901 177.584 0.027 0.000 1.181 337 A CA 1.624 53.680 52.037 0.031 0.000 0.627 337 A CB -0.558 18.465 19.000 0.038 0.000 0.818 337 A HN 0.496 nan 8.150 nan 0.000 0.445 338 E N -0.044 120.176 120.200 0.033 0.000 2.072 338 E HA -0.128 4.218 4.350 -0.007 0.000 0.190 338 E C 2.446 179.071 176.600 0.041 0.000 0.982 338 E CA 1.250 57.670 56.400 0.033 0.000 0.803 338 E CB -0.191 29.529 29.700 0.033 0.000 0.755 338 E HN 0.791 nan 8.360 nan 0.000 0.453 339 S N 1.318 117.047 115.700 0.048 0.000 2.400 339 S HA -0.157 4.309 4.470 -0.007 0.000 0.232 339 S C 2.085 176.723 174.600 0.064 0.000 1.025 339 S CA 0.792 59.030 58.200 0.064 0.000 0.993 339 S CB -0.624 62.619 63.200 0.072 0.000 0.808 339 S HN 0.176 nan 8.310 nan 0.000 0.478 340 L N 0.815 122.056 121.223 0.030 0.000 2.349 340 L HA -0.045 4.291 4.340 -0.007 0.000 0.220 340 L C 3.070 179.949 176.870 0.015 0.000 1.130 340 L CA 1.055 55.886 54.840 -0.014 0.000 0.791 340 L CB -0.475 41.544 42.059 -0.066 0.000 0.918 340 L HN 0.312 nan 8.230 nan 0.000 0.444 341 R N -0.156 120.370 120.500 0.044 0.000 2.092 341 R HA -0.186 4.150 4.340 -0.007 0.000 0.231 341 R C 2.010 178.373 176.300 0.106 0.000 1.119 341 R CA 1.179 57.316 56.100 0.062 0.000 0.970 341 R CB -0.208 30.122 30.300 0.051 0.000 0.864 341 R HN 0.476 nan 8.270 nan 0.000 0.440 342 E N 0.621 120.902 120.200 0.135 0.000 2.063 342 E HA -0.232 4.113 4.350 -0.007 0.000 0.221 342 E C -0.234 176.552 176.600 0.309 0.000 1.052 342 E CA 1.838 58.364 56.400 0.211 0.000 0.891 342 E CB -0.234 29.630 29.700 0.274 0.000 0.792 342 E HN 0.411 nan 8.360 nan 0.000 0.482 343 Y N -1.723 118.652 120.300 0.125 0.000 2.328 343 Y HA 0.582 5.128 4.550 -0.007 0.000 0.333 343 Y C 0.285 176.347 175.900 0.270 0.000 0.958 343 Y CA -1.180 57.010 58.100 0.150 0.000 1.167 343 Y CB 1.236 39.748 38.460 0.087 0.000 1.151 343 Y HN 0.102 nan 8.280 nan 0.000 0.470 344 G N 2.845 111.773 108.800 0.214 0.000 2.689 344 G HA2 0.216 4.171 3.960 -0.007 0.000 0.298 344 G HA3 0.216 4.171 3.960 -0.007 0.000 0.298 344 G C 0.312 175.247 174.900 0.057 0.000 0.527 344 G CA 0.447 45.628 45.100 0.136 0.000 1.247 344 G HN 1.137 nan 8.290 nan 0.000 0.232 345 G N 1.005 109.721 108.800 -0.141 0.000 2.420 345 G HA2 0.873 4.829 3.960 -0.007 0.000 0.331 345 G HA3 0.873 4.829 3.960 -0.007 0.000 0.331 345 G C -0.762 173.987 174.900 -0.253 0.000 1.168 345 G CA -0.992 43.722 45.100 -0.642 0.000 0.936 345 G HN 1.041 nan 8.290 nan 0.000 0.479 346 F N -0.664 119.024 119.950 -0.438 0.000 2.668 346 F HA 0.661 5.184 4.527 -0.007 0.000 0.309 346 F C -1.285 174.367 175.800 -0.246 0.000 1.117 346 F CA -1.685 56.156 58.000 -0.266 0.000 0.951 346 F CB 1.162 40.045 39.000 -0.195 0.000 1.323 346 F HN 0.307 nan 8.300 nan 0.000 0.451 347 I N 3.592 124.129 120.570 -0.055 0.000 2.322 347 I HA 0.346 4.511 4.170 -0.007 0.000 0.292 347 I C -2.206 173.929 176.117 0.030 0.000 1.060 347 I CA -1.915 59.313 61.300 -0.121 0.000 1.309 347 I CB 0.455 38.346 38.000 -0.181 0.000 1.415 347 I HN 0.316 nan 8.210 nan 0.000 0.492 348 P HA -0.062 nan 4.420 nan 0.000 0.259 348 P C 1.050 178.372 177.300 0.037 0.000 1.155 348 P CA 1.088 64.304 63.100 0.193 0.000 0.759 348 P CB 0.390 32.130 31.700 0.068 0.000 0.753 349 G N 2.556 111.372 108.800 0.026 0.000 2.267 349 G HA2 -0.282 3.673 3.960 -0.007 0.000 0.257 349 G HA3 -0.282 3.673 3.960 -0.007 0.000 0.257 349 G C 0.078 174.908 174.900 -0.118 0.000 0.998 349 G CA -0.078 44.988 45.100 -0.057 0.000 0.620 349 G HN 0.505 nan 8.290 nan 0.000 0.529 350 I N 1.530 121.998 120.570 -0.171 0.000 2.354 350 I HA 0.446 4.611 4.170 -0.007 0.000 0.292 350 I C 0.947 176.977 176.117 -0.144 0.000 0.989 350 I CA -0.934 60.224 61.300 -0.237 0.000 1.188 350 I CB 1.442 39.121 38.000 -0.536 0.000 1.342 350 I HN 0.062 nan 8.210 nan 0.000 0.457 351 R N 6.258 126.692 120.500 -0.110 0.000 2.566 351 R HA 0.057 4.393 4.340 -0.007 0.000 0.273 351 R C -2.265 173.999 176.300 -0.060 0.000 0.981 351 R CA -0.981 55.070 56.100 -0.082 0.000 1.091 351 R CB -0.243 30.021 30.300 -0.059 0.000 0.924 351 R HN 0.284 nan 8.270 nan 0.000 0.411 352 P HA 0.122 nan 4.420 nan 0.000 0.271 352 P C 0.339 177.631 177.300 -0.013 0.000 1.218 352 P CA 0.349 63.435 63.100 -0.023 0.000 0.780 352 P CB 1.159 32.843 31.700 -0.026 0.000 0.901 353 G N 1.896 110.698 108.800 0.002 0.000 2.516 353 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.220 353 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.220 353 G C 1.024 175.936 174.900 0.020 0.000 1.165 353 G CA 0.449 45.555 45.100 0.009 0.000 1.013 353 G HN 0.503 nan 8.290 nan 0.000 0.590 354 E N 1.653 121.864 120.200 0.018 0.000 2.049 354 E HA -0.059 4.287 4.350 -0.007 0.000 0.198 354 E C 0.236 176.860 176.600 0.040 0.000 1.007 354 E CA 2.806 59.222 56.400 0.027 0.000 0.809 354 E CB -1.015 28.696 29.700 0.019 0.000 0.749 354 E HN 0.345 nan 8.360 nan 0.000 0.450 355 P HA -0.103 nan 4.420 nan 0.000 0.221 355 P C 0.970 178.320 177.300 0.083 0.000 1.145 355 P CA 1.672 64.800 63.100 0.046 0.000 0.795 355 P CB -0.031 31.674 31.700 0.009 0.000 0.775 356 T N -1.238 113.353 114.554 0.062 0.000 2.809 356 T HA -0.064 4.282 4.350 -0.007 0.000 0.260 356 T C 1.812 176.603 174.700 0.152 0.000 1.039 356 T CA 1.014 63.171 62.100 0.094 0.000 1.141 356 T CB -0.902 67.993 68.868 0.044 0.000 0.869 356 T HN -0.132 nan 8.240 nan 0.000 0.437 357 V N 1.750 121.723 119.914 0.098 0.000 2.219 357 V HA -0.242 3.874 4.120 -0.007 0.000 0.248 357 V C 2.470 178.628 176.094 0.108 0.000 1.053 357 V CA 1.755 64.108 62.300 0.088 0.000 1.009 357 V CB -0.522 31.336 31.823 0.058 0.000 0.636 357 V HN 0.421 nan 8.190 nan 0.000 0.445 358 K N -1.244 119.220 120.400 0.107 0.000 2.211 358 K HA -0.198 4.117 4.320 -0.007 0.000 0.204 358 K C 1.992 178.683 176.600 0.152 0.000 1.047 358 K CA 1.671 58.022 56.287 0.107 0.000 0.935 358 K CB -0.290 32.259 32.500 0.081 0.000 0.728 358 K HN 0.455 nan 8.250 nan 0.000 0.452 359 F N 1.449 121.423 119.950 0.039 0.000 2.039 359 F HA -0.164 4.360 4.527 -0.006 0.000 0.294 359 F C 1.786 177.639 175.800 0.088 0.000 1.130 359 F CA 1.382 59.414 58.000 0.054 0.000 1.189 359 F CB -0.289 38.730 39.000 0.032 0.000 0.983 359 F HN -0.137 nan 8.300 nan 0.000 0.471 360 L N -0.030 121.295 121.223 0.170 0.000 2.046 360 L HA -0.207 4.129 4.340 -0.007 0.000 0.208 360 L C 2.393 179.253 176.870 -0.017 0.000 1.077 360 L CA 1.576 56.444 54.840 0.047 0.000 0.747 360 L CB -0.919 41.200 42.059 0.099 0.000 0.896 360 L HN 0.226 nan 8.230 nan 0.000 0.432 361 E N -0.450 119.766 120.200 0.026 0.000 2.033 361 E HA -0.332 4.014 4.350 -0.007 0.000 0.199 361 E C 2.050 178.653 176.600 0.004 0.000 1.011 361 E CA 1.957 58.368 56.400 0.017 0.000 0.815 361 E CB -0.255 29.473 29.700 0.048 0.000 0.755 361 E HN 0.503 nan 8.360 nan 0.000 0.451 362 H N 0.397 119.422 119.070 -0.076 0.000 2.265 362 H HA -0.190 4.361 4.556 -0.007 0.000 0.293 362 H C 2.024 177.277 175.328 -0.125 0.000 1.089 362 H CA 2.285 58.278 56.048 -0.093 0.000 1.244 362 H CB -0.297 29.395 29.762 -0.116 0.000 1.355 362 H HN 0.061 nan 8.280 nan 0.000 0.485 363 I N -0.337 120.097 120.570 -0.227 0.000 2.118 363 I HA -0.295 3.871 4.170 -0.007 0.000 0.241 363 I C 2.649 178.654 176.117 -0.187 0.000 1.070 363 I CA 1.338 62.481 61.300 -0.262 0.000 1.327 363 I CB -0.528 37.305 38.000 -0.279 0.000 1.034 363 I HN 0.209 nan 8.210 nan 0.000 0.405 364 V N -0.105 119.724 119.914 -0.141 0.000 2.332 364 V HA -0.307 3.808 4.120 -0.007 0.000 0.248 364 V C 2.467 178.478 176.094 -0.139 0.000 1.055 364 V CA 2.180 64.405 62.300 -0.126 0.000 1.038 364 V CB -0.769 30.984 31.823 -0.116 0.000 0.651 364 V HN 0.425 nan 8.190 nan 0.000 0.450 365 S N -0.317 115.312 115.700 -0.117 0.000 2.354 365 S HA -0.226 4.240 4.470 -0.007 0.000 0.219 365 S C 2.079 176.661 174.600 -0.031 0.000 1.035 365 S CA 1.549 59.723 58.200 -0.044 0.000 1.037 365 S CB -0.422 62.772 63.200 -0.010 0.000 0.956 365 S HN 0.482 nan 8.310 nan 0.000 0.428 366 R N 0.523 120.936 120.500 -0.145 0.000 2.127 366 R HA -0.030 4.306 4.340 -0.007 0.000 0.238 366 R C 2.232 178.547 176.300 0.024 0.000 1.134 366 R CA 0.891 56.923 56.100 -0.113 0.000 0.975 366 R CB -0.515 29.640 30.300 -0.241 0.000 0.865 366 R HN 0.379 nan 8.270 nan 0.000 0.447 367 L N -0.385 120.841 121.223 0.006 0.000 1.971 367 L HA -0.145 4.190 4.340 -0.007 0.000 0.208 367 L C 2.227 179.151 176.870 0.090 0.000 1.083 367 L CA 1.601 56.489 54.840 0.082 0.000 0.753 367 L CB -0.889 41.173 42.059 0.005 0.000 0.893 367 L HN 0.198 nan 8.230 nan 0.000 0.436 368 T N 0.823 115.358 114.554 -0.031 0.000 2.736 368 T HA -0.306 4.040 4.350 -0.007 0.000 0.265 368 T C 1.682 176.418 174.700 0.061 0.000 1.031 368 T CA 2.067 64.105 62.100 -0.104 0.000 1.155 368 T CB -0.490 68.115 68.868 -0.438 0.000 0.849 368 T HN 0.141 nan 8.240 nan 0.000 0.471 369 L N -0.662 120.671 121.223 0.183 0.000 2.046 369 L HA 0.062 4.398 4.340 -0.007 0.000 0.208 369 L C 2.115 179.026 176.870 0.069 0.000 1.077 369 L CA 1.581 56.555 54.840 0.222 0.000 0.747 369 L CB -0.692 41.395 42.059 0.047 0.000 0.896 369 L HN 0.396 nan 8.230 nan 0.000 0.432 370 W N -0.318 121.044 121.300 0.103 0.000 2.363 370 W HA -0.073 4.582 4.660 -0.008 0.000 0.296 370 W C 2.434 179.029 176.519 0.127 0.000 1.212 370 W CA 1.064 58.464 57.345 0.091 0.000 1.260 370 W CB -0.737 28.748 29.460 0.041 0.000 1.131 370 W HN 0.305 nan 8.180 nan 0.000 0.530 371 G N 0.293 109.289 108.800 0.328 0.000 2.446 371 G HA2 -0.267 3.688 3.960 -0.007 0.000 0.217 371 G HA3 -0.267 3.688 3.960 -0.007 0.000 0.217 371 G C 1.610 176.678 174.900 0.280 0.000 1.168 371 G CA 1.628 46.883 45.100 0.258 0.000 0.771 371 G HN 0.325 nan 8.290 nan 0.000 0.551 372 A N 0.678 123.639 122.820 0.234 0.000 1.835 372 A HA 0.056 4.372 4.320 -0.007 0.000 0.215 372 A C 2.460 180.151 177.584 0.178 0.000 1.199 372 A CA 1.428 53.587 52.037 0.204 0.000 0.615 372 A CB -0.715 18.428 19.000 0.238 0.000 0.838 372 A HN 0.325 nan 8.150 nan 0.000 0.444 373 L N -1.735 119.587 121.223 0.165 0.000 2.021 373 L HA -0.261 4.075 4.340 -0.007 0.000 0.215 373 L C 2.550 179.552 176.870 0.219 0.000 1.074 373 L CA 2.252 57.178 54.840 0.145 0.000 0.760 373 L CB -0.630 41.482 42.059 0.088 0.000 0.889 373 L HN 0.586 nan 8.230 nan 0.000 0.433 374 F N 0.716 120.778 119.950 0.186 0.000 2.065 374 F HA -0.275 4.247 4.527 -0.007 0.000 0.298 374 F C 2.261 178.131 175.800 0.117 0.000 1.112 374 F CA 1.694 59.791 58.000 0.162 0.000 1.212 374 F CB -0.460 38.629 39.000 0.149 0.000 0.975 374 F HN -0.104 nan 8.300 nan 0.000 0.476 375 L N 0.092 121.260 121.223 -0.092 0.000 2.187 375 L HA -0.173 4.163 4.340 -0.007 0.000 0.213 375 L C 2.664 179.439 176.870 -0.157 0.000 1.100 375 L CA 1.190 55.902 54.840 -0.213 0.000 0.765 375 L CB -1.600 40.461 42.059 0.005 0.000 0.904 375 L HN 0.441 nan 8.230 nan 0.000 0.437 376 G N -0.165 108.599 108.800 -0.061 0.000 2.421 376 G HA2 -0.125 3.831 3.960 -0.007 0.000 0.217 376 G HA3 -0.125 3.831 3.960 -0.007 0.000 0.217 376 G C 1.622 176.507 174.900 -0.025 0.000 1.143 376 G CA 0.126 45.213 45.100 -0.022 0.000 0.784 376 G HN 0.211 nan 8.290 nan 0.000 0.541 377 L N 0.565 121.753 121.223 -0.058 0.000 2.056 377 L HA -0.067 4.269 4.340 -0.007 0.000 0.207 377 L C 2.910 179.752 176.870 -0.046 0.000 1.078 377 L CA 0.595 55.422 54.840 -0.022 0.000 0.749 377 L CB -0.642 41.431 42.059 0.022 0.000 0.901 377 L HN 0.073 nan 8.230 nan 0.000 0.433 378 V N -0.455 119.331 119.914 -0.214 0.000 2.594 378 V HA -0.231 3.885 4.120 -0.007 0.000 0.253 378 V C 2.460 178.547 176.094 -0.011 0.000 1.069 378 V CA 2.109 64.317 62.300 -0.154 0.000 1.082 378 V CB -1.063 30.553 31.823 -0.344 0.000 0.680 378 V HN 0.511 nan 8.190 nan 0.000 0.469 379 T N 0.305 114.848 114.554 -0.017 0.000 2.770 379 T HA -0.055 4.290 4.350 -0.007 0.000 0.258 379 T C 1.871 176.614 174.700 0.071 0.000 1.039 379 T CA 1.473 63.594 62.100 0.034 0.000 1.143 379 T CB -0.234 68.643 68.868 0.015 0.000 0.866 379 T HN 0.348 nan 8.240 nan 0.000 0.428 380 L N 0.753 122.013 121.223 0.063 0.000 2.072 380 L HA 0.167 4.503 4.340 -0.007 0.000 0.205 380 L C 2.226 179.144 176.870 0.080 0.000 1.079 380 L CA 1.278 56.163 54.840 0.074 0.000 0.752 380 L CB -0.502 41.601 42.059 0.073 0.000 0.906 380 L HN 0.188 nan 8.230 nan 0.000 0.436 381 L N -0.243 121.036 121.223 0.093 0.000 2.012 381 L HA -0.167 4.169 4.340 -0.007 0.000 0.210 381 L C -0.164 176.714 176.870 0.012 0.000 1.073 381 L CA 1.373 56.249 54.840 0.059 0.000 0.748 381 L CB -2.078 40.053 42.059 0.120 0.000 0.891 381 L HN 0.257 nan 8.230 nan 0.000 0.431 382 P HA -0.222 nan 4.420 nan 0.000 0.216 382 P C 1.456 178.850 177.300 0.157 0.000 1.153 382 P CA 1.244 64.466 63.100 0.202 0.000 0.858 382 P CB 0.074 31.971 31.700 0.328 0.000 0.789 383 Q N -0.395 119.486 119.800 0.135 0.000 2.002 383 Q HA -0.165 4.171 4.340 -0.007 0.000 0.204 383 Q C 2.015 178.062 176.000 0.079 0.000 0.988 383 Q CA 1.689 57.565 55.803 0.122 0.000 0.843 383 Q CB -1.267 27.529 28.738 0.097 0.000 0.908 383 Q HN 0.104 nan 8.270 nan 0.000 0.420 384 I N -0.133 120.456 120.570 0.032 0.000 2.091 384 I HA -0.347 3.819 4.170 -0.007 0.000 0.240 384 I C 2.153 178.252 176.117 -0.031 0.000 1.046 384 I CA 1.550 62.847 61.300 -0.006 0.000 1.306 384 I CB -0.437 37.546 38.000 -0.029 0.000 1.018 384 I HN 0.245 nan 8.210 nan 0.000 0.404 385 I N -0.432 120.089 120.570 -0.082 0.000 2.208 385 I HA -0.355 3.811 4.170 -0.007 0.000 0.245 385 I C 2.591 178.716 176.117 0.015 0.000 1.097 385 I CA 1.542 62.783 61.300 -0.100 0.000 1.363 385 I CB -0.356 37.449 38.000 -0.325 0.000 1.051 385 I HN 0.324 nan 8.210 nan 0.000 0.413 386 Q N 0.183 120.031 119.800 0.080 0.000 2.167 386 Q HA -0.189 4.147 4.340 -0.007 0.000 0.202 386 Q C 1.966 177.895 176.000 -0.119 0.000 0.970 386 Q CA 1.248 57.040 55.803 -0.019 0.000 0.855 386 Q CB 0.088 28.904 28.738 0.130 0.000 0.911 386 Q HN 0.462 nan 8.270 nan 0.000 0.438 387 N N -0.034 118.701 118.700 0.058 0.000 2.171 387 N HA -0.086 4.650 4.740 -0.007 0.000 0.184 387 N C 1.675 177.194 175.510 0.015 0.000 1.021 387 N CA 0.945 54.075 53.050 0.134 0.000 0.854 387 N CB -0.085 38.461 38.487 0.098 0.000 0.994 387 N HN 0.240 nan 8.380 nan 0.000 0.426 388 L N 0.176 121.372 121.223 -0.045 0.000 2.109 388 L HA -0.010 4.326 4.340 -0.007 0.000 0.207 388 L C 0.686 177.487 176.870 -0.115 0.000 1.086 388 L CA 0.682 55.474 54.840 -0.080 0.000 0.760 388 L CB -0.846 41.147 42.059 -0.110 0.000 0.910 388 L HN -0.018 nan 8.230 nan 0.000 0.437 389 T N -0.256 114.206 114.554 -0.154 0.000 2.868 389 T HA 0.211 4.557 4.350 -0.007 0.000 0.292 389 T C 1.249 175.773 174.700 -0.292 0.000 1.028 389 T CA 0.083 62.061 62.100 -0.203 0.000 1.059 389 T CB 1.626 70.354 68.868 -0.232 0.000 0.991 389 T HN 0.293 nan 8.240 nan 0.000 0.531 390 G N 0.881 109.534 108.800 -0.245 0.000 2.534 390 G HA2 0.025 3.981 3.960 -0.007 0.000 0.217 390 G HA3 0.025 3.981 3.960 -0.007 0.000 0.217 390 G C 0.645 175.305 174.900 -0.401 0.000 1.128 390 G CA -0.078 44.881 45.100 -0.234 0.000 0.784 390 G HN 0.596 nan 8.290 nan 0.000 0.542 391 I N 1.670 121.932 120.570 -0.514 0.000 2.556 391 I HA 0.222 4.388 4.170 -0.007 0.000 0.284 391 I C -0.761 174.929 176.117 -0.712 0.000 1.114 391 I CA 0.042 61.007 61.300 -0.558 0.000 1.418 391 I CB 0.421 37.986 38.000 -0.726 0.000 1.394 391 I HN 0.093 nan 8.210 nan 0.000 0.552 392 H N 5.029 124.002 119.070 -0.161 0.000 3.096 392 H HA 0.378 4.929 4.556 -0.008 0.000 0.335 392 H C -0.759 174.581 175.328 0.019 0.000 0.990 392 H CA -0.624 55.389 56.048 -0.058 0.000 1.393 392 H CB 1.854 31.599 29.762 -0.029 0.000 1.742 392 H HN 0.558 nan 8.280 nan 0.000 0.501 393 S N 2.080 117.912 115.700 0.221 0.000 2.542 393 S HA 0.248 4.713 4.470 -0.007 0.000 0.276 393 S C 0.193 174.933 174.600 0.233 0.000 1.148 393 S CA -0.721 57.617 58.200 0.231 0.000 0.886 393 S CB 0.774 64.153 63.200 0.299 0.000 1.109 393 S HN 0.219 nan 8.310 nan 0.000 0.458 394 I N 2.292 122.953 120.570 0.152 0.000 2.830 394 I HA 0.149 4.314 4.170 -0.007 0.000 0.263 394 I C 2.625 178.785 176.117 0.071 0.000 1.230 394 I CA 1.400 62.769 61.300 0.115 0.000 1.480 394 I CB -0.781 37.266 38.000 0.078 0.000 1.095 394 I HN 0.863 nan 8.210 nan 0.000 0.455 395 A N 0.124 122.961 122.820 0.029 0.000 2.067 395 A HA 0.005 4.321 4.320 -0.007 0.000 0.219 395 A C 1.314 178.779 177.584 -0.199 0.000 1.158 395 A CA 1.088 53.056 52.037 -0.115 0.000 0.661 395 A CB -0.715 18.172 19.000 -0.188 0.000 0.801 395 A HN 0.405 nan 8.150 nan 0.000 0.452 396 F N 0.099 120.171 119.950 0.203 0.000 2.928 396 F HA 0.219 4.742 4.527 -0.007 0.000 0.337 396 F C 1.183 177.125 175.800 0.236 0.000 1.259 396 F CA 0.209 58.328 58.000 0.197 0.000 1.267 396 F CB 0.555 39.654 39.000 0.166 0.000 0.986 396 F HN 0.146 nan 8.300 nan 0.000 0.507 397 S N -1.429 114.445 115.700 0.290 0.000 2.537 397 S HA 0.561 5.027 4.470 -0.007 0.000 0.246 397 S C 1.350 176.069 174.600 0.198 0.000 1.036 397 S CA 0.070 58.416 58.200 0.243 0.000 1.041 397 S CB 0.138 63.449 63.200 0.185 0.000 0.799 397 S HN 0.709 nan 8.310 nan 0.000 0.456 398 G N 2.588 111.513 108.800 0.209 0.000 4.526 398 G HA2 -0.335 3.621 3.960 -0.007 0.000 0.217 398 G HA3 -0.335 3.621 3.960 -0.007 0.000 0.217 398 G C 0.764 175.734 174.900 0.116 0.000 1.428 398 G CA 0.305 45.498 45.100 0.156 0.000 0.928 398 G HN 0.452 nan 8.290 nan 0.000 0.639 399 I N 3.115 123.757 120.570 0.120 0.000 2.361 399 I HA -0.075 4.091 4.170 -0.007 0.000 0.251 399 I C 3.002 179.196 176.117 0.128 0.000 1.133 399 I CA 2.480 63.862 61.300 0.136 0.000 1.413 399 I CB -1.493 36.616 38.000 0.181 0.000 1.073 399 I HN 0.465 nan 8.210 nan 0.000 0.424 400 G N 0.705 109.565 108.800 0.100 0.000 2.421 400 G HA2 -0.208 3.748 3.960 -0.007 0.000 0.216 400 G HA3 -0.208 3.748 3.960 -0.007 0.000 0.216 400 G C 1.758 176.731 174.900 0.122 0.000 1.171 400 G CA 0.539 45.669 45.100 0.050 0.000 0.775 400 G HN 0.357 nan 8.290 nan 0.000 0.543 401 L N -0.288 121.049 121.223 0.191 0.000 2.023 401 L HA 0.076 4.412 4.340 -0.007 0.000 0.205 401 L C 2.890 179.796 176.870 0.061 0.000 1.073 401 L CA 0.466 55.436 54.840 0.217 0.000 0.745 401 L CB -0.578 41.609 42.059 0.214 0.000 0.900 401 L HN 0.125 nan 8.230 nan 0.000 0.435 402 L N 0.087 121.331 121.223 0.035 0.000 2.127 402 L HA -0.231 4.105 4.340 -0.007 0.000 0.211 402 L C 2.554 179.422 176.870 -0.002 0.000 1.089 402 L CA 1.280 56.113 54.840 -0.011 0.000 0.757 402 L CB -0.452 41.606 42.059 -0.002 0.000 0.899 402 L HN 0.386 nan 8.230 nan 0.000 0.434 403 I N -3.532 117.062 120.570 0.040 0.000 2.333 403 I HA -0.095 4.071 4.170 -0.007 0.000 0.246 403 I C 2.215 178.379 176.117 0.079 0.000 1.106 403 I CA 1.192 62.528 61.300 0.060 0.000 1.411 403 I CB -0.788 37.284 38.000 0.119 0.000 1.082 403 I HN -0.174 nan 8.210 nan 0.000 0.420 404 V N 1.108 121.063 119.914 0.070 0.000 2.255 404 V HA -0.250 3.866 4.120 -0.007 0.000 0.247 404 V C 2.746 178.892 176.094 0.086 0.000 1.051 404 V CA 2.212 64.610 62.300 0.163 0.000 1.018 404 V CB -0.697 31.102 31.823 -0.040 0.000 0.641 404 V HN 0.441 nan 8.190 nan 0.000 0.445 405 V N 0.790 120.619 119.914 -0.142 0.000 2.332 405 V HA -0.201 3.915 4.120 -0.007 0.000 0.248 405 V C 2.592 178.587 176.094 -0.165 0.000 1.055 405 V CA 2.148 64.256 62.300 -0.320 0.000 1.038 405 V CB -1.561 29.964 31.823 -0.498 0.000 0.651 405 V HN 0.621 nan 8.190 nan 0.000 0.450 406 G N 0.123 108.863 108.800 -0.099 0.000 2.511 406 G HA2 -0.234 3.721 3.960 -0.007 0.000 0.216 406 G HA3 -0.234 3.721 3.960 -0.007 0.000 0.216 406 G C 1.673 176.512 174.900 -0.102 0.000 1.218 406 G CA 1.362 46.415 45.100 -0.078 0.000 0.788 406 G HN 0.372 nan 8.290 nan 0.000 0.560 407 V N 1.786 121.634 119.914 -0.110 0.000 2.392 407 V HA -0.149 3.967 4.120 -0.007 0.000 0.249 407 V C 3.331 179.220 176.094 -0.341 0.000 1.059 407 V CA 2.002 64.166 62.300 -0.227 0.000 1.051 407 V CB -1.036 30.615 31.823 -0.288 0.000 0.658 407 V HN 0.531 nan 8.190 nan 0.000 0.455 408 A N 0.181 122.794 122.820 -0.346 0.000 1.859 408 A HA -0.238 4.078 4.320 -0.007 0.000 0.217 408 A C 2.227 179.720 177.584 -0.150 0.000 1.198 408 A CA 2.313 54.189 52.037 -0.269 0.000 0.629 408 A CB -0.728 18.189 19.000 -0.139 0.000 0.830 408 A HN 0.480 nan 8.150 nan 0.000 0.446 409 L N -0.611 120.546 121.223 -0.111 0.000 2.012 409 L HA -0.233 4.103 4.340 -0.007 0.000 0.210 409 L C 2.520 179.351 176.870 -0.064 0.000 1.073 409 L CA 1.756 56.556 54.840 -0.067 0.000 0.748 409 L CB -0.661 41.364 42.059 -0.057 0.000 0.891 409 L HN 0.440 nan 8.230 nan 0.000 0.431 410 D N -0.505 119.846 120.400 -0.082 0.000 2.133 410 D HA -0.192 4.443 4.640 -0.007 0.000 0.195 410 D C 2.020 178.275 176.300 -0.075 0.000 0.997 410 D CA 1.924 55.881 54.000 -0.072 0.000 0.840 410 D CB 0.046 40.796 40.800 -0.083 0.000 0.947 410 D HN 0.227 nan 8.370 nan 0.000 0.452 411 T N 0.136 114.623 114.554 -0.111 0.000 2.812 411 T HA 0.007 4.353 4.350 -0.007 0.000 0.264 411 T C 2.134 176.803 174.700 -0.052 0.000 1.042 411 T CA 0.499 62.538 62.100 -0.101 0.000 1.140 411 T CB -0.111 68.656 68.868 -0.169 0.000 0.870 411 T HN 0.148 nan 8.240 nan 0.000 0.445 412 L N 0.528 121.730 121.223 -0.034 0.000 2.093 412 L HA 0.008 4.343 4.340 -0.007 0.000 0.208 412 L C 2.906 179.773 176.870 -0.005 0.000 1.085 412 L CA 1.095 55.941 54.840 0.010 0.000 0.755 412 L CB -0.453 41.631 42.059 0.042 0.000 0.904 412 L HN 0.130 nan 8.230 nan 0.000 0.435 413 R N -0.054 120.437 120.500 -0.016 0.000 2.092 413 R HA -0.175 4.161 4.340 -0.007 0.000 0.231 413 R C 2.272 178.561 176.300 -0.019 0.000 1.119 413 R CA 1.219 57.310 56.100 -0.014 0.000 0.970 413 R CB -0.095 30.196 30.300 -0.015 0.000 0.864 413 R HN 0.341 nan 8.270 nan 0.000 0.440 414 Q N 0.568 120.353 119.800 -0.026 0.000 2.297 414 Q HA -0.058 4.278 4.340 -0.007 0.000 0.204 414 Q C 1.880 177.862 176.000 -0.031 0.000 0.962 414 Q CA 0.803 56.590 55.803 -0.027 0.000 0.879 414 Q CB 0.296 29.015 28.738 -0.031 0.000 0.947 414 Q HN 0.234 nan 8.270 nan 0.000 0.462 415 V N 1.002 120.895 119.914 -0.035 0.000 2.270 415 V HA -0.235 3.881 4.120 -0.007 0.000 0.245 415 V C 2.013 178.079 176.094 -0.046 0.000 1.043 415 V CA 2.007 64.279 62.300 -0.047 0.000 1.014 415 V CB -0.401 31.383 31.823 -0.065 0.000 0.645 415 V HN 0.362 nan 8.190 nan 0.000 0.447 416 E N 0.528 120.706 120.200 -0.037 0.000 2.150 416 E HA -0.177 4.169 4.350 -0.007 0.000 0.193 416 E C 2.359 178.944 176.600 -0.025 0.000 0.985 416 E CA 1.455 57.837 56.400 -0.031 0.000 0.814 416 E CB -0.214 29.474 29.700 -0.020 0.000 0.752 416 E HN 0.739 nan 8.360 nan 0.000 0.466 417 S N 0.777 116.463 115.700 -0.022 0.000 2.368 417 S HA -0.289 4.177 4.470 -0.007 0.000 0.225 417 S C 2.106 176.693 174.600 -0.022 0.000 1.030 417 S CA 1.530 59.719 58.200 -0.019 0.000 0.999 417 S CB -0.150 63.039 63.200 -0.017 0.000 0.844 417 S HN 0.234 nan 8.310 nan 0.000 0.459 418 Q N -0.314 119.470 119.800 -0.027 0.000 2.354 418 Q HA 0.253 4.589 4.340 -0.007 0.000 0.203 418 Q C 1.919 177.901 176.000 -0.031 0.000 0.933 418 Q CA 0.314 56.100 55.803 -0.029 0.000 0.901 418 Q CB -0.126 28.593 28.738 -0.032 0.000 1.007 418 Q HN 0.514 nan 8.270 nan 0.000 0.495 419 L N 0.084 121.286 121.223 -0.035 0.000 2.291 419 L HA -0.022 4.314 4.340 -0.007 0.000 0.214 419 L C 1.997 178.850 176.870 -0.029 0.000 1.120 419 L CA 0.903 55.720 54.840 -0.037 0.000 0.799 419 L CB -0.057 41.972 42.059 -0.050 0.000 0.925 419 L HN 0.340 nan 8.230 nan 0.000 0.446 420 M N -1.737 117.848 119.600 -0.025 0.000 2.132 420 M HA -0.156 4.320 4.480 -0.007 0.000 0.263 420 M C 1.945 178.234 176.300 -0.019 0.000 1.065 420 M CA 1.635 56.923 55.300 -0.020 0.000 1.122 420 M CB -0.329 32.261 32.600 -0.017 0.000 1.365 420 M HN 0.220 nan 8.290 nan 0.000 0.411 421 L N -0.444 120.767 121.223 -0.021 0.000 2.109 421 L HA -0.038 4.298 4.340 -0.007 0.000 0.207 421 L C 1.360 178.218 176.870 -0.021 0.000 1.086 421 L CA 1.244 56.072 54.840 -0.020 0.000 0.760 421 L CB -0.228 41.818 42.059 -0.022 0.000 0.910 421 L HN 0.082 nan 8.230 nan 0.000 0.437 422 R N 0.000 120.486 120.500 -0.023 0.000 2.786 422 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 422 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 422 R CB 0.000 30.285 30.300 -0.025 0.000 0.687 422 R HN 0.000 nan 8.270 nan 0.000 0.535