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 1ek2_1_A DATA FIRST_RESID 4 DATA SEQUENCE RVAAFDLDGV LALPSIXXXX XXXXXXXXXX XXXXXXXXXX XXXXGPTEQL DATA SEQUENCE MKGKITFSQW XXXXXXXXXX XXXXXXXXXX XXXXXXQIFS QAMAARSINR DATA SEQUENCE PMLQAAIALK KKGFTTCIVT NNWLDDGDKR DSLAQMMCEL SQHFDFLIES DATA SEQUENCE CQVGMIKPEP QIYNFLLDTL KAKPNEVVFL DDFGSNLKPA RDMGMVTILV DATA SEQUENCE HNTASALREL EKVTGTQFPE APLPVPCNPN DVSHGYVTVK PGIRLHFVEM DATA SEQUENCE GSGPALCLCH GFPESWFSWR YQIPALAQAG FRVLAIDMKG YGDSSSPPEI DATA SEQUENCE EEYAMELLCK EMVTFLDKLG IPQAVFIGHD WAGVMVWNMA LFYPERVRAV DATA SEQUENCE ASLNTPFMPP DPDVSPMKVI RSIPVFNYQL YFQEPGVAEA ELEKNMSRTF DATA SEQUENCE KSFFRASDET GFIAVHKATE IGGILVNTPE DPNLSKITTE EEIEFYIQQF DATA SEQUENCE KKTGFRGPLN WYRNTERNWK WSCKGLGRKI LVPALMVTAE KDIVLRPEMS DATA SEQUENCE KNMEKWIPFL KRGHIEDCGH WTQIEKPTEV NQILIKWLQT E 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.261 176.300 -0.066 0.000 0.893 4 R CA 0.000 55.897 56.100 -0.339 0.000 0.921 4 R CB 0.000 30.138 30.300 -0.269 0.000 0.687 5 V N -1.519 118.485 119.914 0.150 0.000 3.001 5 V HA 0.989 5.109 4.120 -0.000 0.000 0.314 5 V C -1.323 174.937 176.094 0.278 0.000 1.099 5 V CA -0.544 61.909 62.300 0.255 0.000 0.989 5 V CB 1.990 33.924 31.823 0.185 0.000 1.040 5 V HN 0.902 nan 8.190 nan 0.000 0.434 6 A N 2.765 125.737 122.820 0.254 0.000 2.335 6 A HA 0.992 5.312 4.320 -0.000 0.000 0.304 6 A C -0.130 177.371 177.584 -0.138 0.000 1.118 6 A CA -0.152 51.910 52.037 0.042 0.000 0.757 6 A CB 1.192 20.284 19.000 0.153 0.000 1.188 6 A HN 2.306 nan 8.150 nan 0.000 0.460 7 A N 1.963 124.574 122.820 -0.349 0.000 2.330 7 A HA 0.893 5.213 4.320 -0.000 0.000 0.327 7 A C -1.115 176.113 177.584 -0.592 0.000 1.155 7 A CA -0.360 51.569 52.037 -0.180 0.000 0.803 7 A CB 0.381 19.531 19.000 0.250 0.000 1.208 7 A HN 0.777 nan 8.150 nan 0.000 0.477 8 F N 0.918 120.920 119.950 0.088 0.000 2.547 8 F HA 0.395 4.922 4.527 -0.000 0.000 0.316 8 F C 0.280 176.034 175.800 -0.076 0.000 1.121 8 F CA -0.708 57.248 58.000 -0.074 0.000 0.911 8 F CB 1.804 40.762 39.000 -0.069 0.000 1.179 8 F HN 0.736 nan 8.300 nan 0.000 0.443 9 D N 1.224 121.622 120.400 -0.004 0.000 2.356 9 D HA 0.253 4.893 4.640 -0.000 0.000 0.258 9 D C 0.332 176.659 176.300 0.046 0.000 1.279 9 D CA 0.125 54.158 54.000 0.056 0.000 1.016 9 D CB 0.803 41.616 40.800 0.022 0.000 1.107 9 D HN 0.529 nan 8.370 nan 0.000 0.544 10 L N -0.613 120.635 121.223 0.042 0.000 2.860 10 L HA 0.036 4.376 4.340 -0.000 0.000 0.251 10 L C 0.942 177.825 176.870 0.022 0.000 1.041 10 L CA -0.009 54.829 54.840 -0.004 0.000 0.985 10 L CB -0.143 41.883 42.059 -0.054 0.000 1.656 10 L HN 0.373 nan 8.230 nan 0.000 0.526 11 D N 1.531 121.985 120.400 0.089 0.000 2.315 11 D HA -0.200 4.439 4.640 -0.000 0.000 0.198 11 D C 1.228 177.580 176.300 0.087 0.000 1.010 11 D CA 1.773 55.865 54.000 0.153 0.000 0.911 11 D CB -0.081 40.914 40.800 0.325 0.000 0.897 11 D HN 0.514 nan 8.370 nan 0.000 0.455 12 G N -1.577 107.244 108.800 0.035 0.000 5.005 12 G HA2 0.186 4.146 3.960 -0.000 0.000 0.222 12 G HA3 0.186 4.146 3.960 -0.000 0.000 0.222 12 G C 0.318 175.200 174.900 -0.030 0.000 1.437 12 G CA -0.220 44.871 45.100 -0.014 0.000 0.894 12 G HN 0.186 nan 8.290 nan 0.000 0.394 13 V N -0.111 119.793 119.914 -0.018 0.000 3.562 13 V HA 0.423 4.542 4.120 -0.000 0.000 0.270 13 V C 1.303 177.379 176.094 -0.030 0.000 1.418 13 V CA 0.589 62.880 62.300 -0.015 0.000 1.033 13 V CB 0.506 32.335 31.823 0.010 0.000 0.820 13 V HN 0.347 nan 8.190 nan 0.000 0.441 14 L N 0.070 121.267 121.223 -0.044 0.000 3.429 14 L HA 0.686 5.026 4.340 -0.000 0.000 0.311 14 L C -0.096 176.740 176.870 -0.056 0.000 1.274 14 L CA 0.351 55.149 54.840 -0.071 0.000 1.037 14 L CB 1.207 43.205 42.059 -0.102 0.000 1.433 14 L HN 0.235 nan 8.230 nan 0.000 0.614 15 A N 0.978 123.771 122.820 -0.046 0.000 2.532 15 A HA 0.799 5.119 4.320 -0.000 0.000 0.296 15 A C -1.647 175.917 177.584 -0.035 0.000 1.058 15 A CA -0.237 51.775 52.037 -0.042 0.000 0.729 15 A CB 1.512 20.484 19.000 -0.047 0.000 1.285 15 A HN 0.076 nan 8.150 nan 0.000 0.396 16 L N 2.463 123.666 121.223 -0.035 0.000 2.465 16 L HA 0.623 4.963 4.340 -0.000 0.000 0.257 16 L C -2.441 174.410 176.870 -0.032 0.000 0.988 16 L CA -1.734 53.086 54.840 -0.033 0.000 0.827 16 L CB 2.954 44.991 42.059 -0.037 0.000 1.397 16 L HN 0.523 nan 8.230 nan 0.000 0.410 17 P HA 0.001 nan 4.420 nan 0.000 0.266 17 P C 0.077 177.359 177.300 -0.029 0.000 1.193 17 P CA 0.229 63.309 63.100 -0.034 0.000 0.770 17 P CB 1.055 32.733 31.700 -0.037 0.000 0.836 18 S N 2.413 118.095 115.700 -0.030 0.000 2.172 18 S HA 0.073 4.543 4.470 -0.000 0.000 0.183 18 S C 0.714 175.323 174.600 0.014 0.000 1.393 18 S CA 0.803 58.994 58.200 -0.016 0.000 2.441 18 S CB -0.379 62.792 63.200 -0.048 0.000 0.372 18 S HN 0.572 nan 8.310 nan 0.000 0.349 49 P HA 0.107 nan 4.420 nan 0.000 0.215 49 P C 1.484 178.781 177.300 -0.005 0.000 1.157 49 P CA 1.687 64.777 63.100 -0.017 0.000 0.869 49 P CB 0.240 31.917 31.700 -0.038 0.000 0.781 50 T N 0.134 114.700 114.554 0.021 0.000 3.227 50 T HA -0.052 4.298 4.350 -0.000 0.000 0.257 50 T C 1.390 176.100 174.700 0.018 0.000 1.162 50 T CA 0.340 62.455 62.100 0.026 0.000 1.051 50 T CB -0.758 68.138 68.868 0.048 0.000 0.953 50 T HN 0.115 nan 8.240 nan 0.000 0.535 51 E N 0.128 120.337 120.200 0.016 0.000 2.502 51 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 51 E C 1.545 178.158 176.600 0.020 0.000 1.062 51 E CA 0.566 56.977 56.400 0.019 0.000 0.867 51 E CB 0.176 29.883 29.700 0.011 0.000 0.888 51 E HN 0.443 nan 8.360 nan 0.000 0.510 52 Q N -0.341 119.469 119.800 0.016 0.000 2.378 52 Q HA 0.100 4.440 4.340 -0.000 0.000 0.216 52 Q C 1.613 177.633 176.000 0.033 0.000 0.892 52 Q CA -0.092 55.720 55.803 0.015 0.000 0.931 52 Q CB 0.241 28.979 28.738 -0.000 0.000 1.086 52 Q HN 0.164 nan 8.270 nan 0.000 0.528 53 L N 0.065 121.311 121.223 0.039 0.000 2.093 53 L HA -0.090 4.249 4.340 -0.000 0.000 0.208 53 L C 1.589 178.533 176.870 0.123 0.000 1.085 53 L CA 1.765 56.643 54.840 0.063 0.000 0.755 53 L CB -0.541 41.529 42.059 0.019 0.000 0.904 53 L HN 0.328 nan 8.230 nan 0.000 0.435 54 M N -0.551 119.116 119.600 0.112 0.000 2.099 54 M HA -0.179 4.300 4.480 -0.000 0.000 0.262 54 M C 2.024 178.379 176.300 0.092 0.000 1.067 54 M CA 1.432 56.816 55.300 0.140 0.000 1.124 54 M CB -1.095 31.565 32.600 0.101 0.000 1.353 54 M HN 0.209 nan 8.290 nan 0.000 0.410 55 K N -0.417 120.014 120.400 0.052 0.000 2.147 55 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 55 K C 1.375 177.990 176.600 0.025 0.000 1.049 55 K CA 1.322 57.621 56.287 0.021 0.000 0.936 55 K CB -0.191 32.315 32.500 0.009 0.000 0.722 55 K HN 0.629 nan 8.250 nan 0.000 0.446 56 G N 1.093 109.924 108.800 0.051 0.000 2.184 56 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.206 56 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.206 56 G C 0.746 175.671 174.900 0.042 0.000 0.995 56 G CA 0.248 45.381 45.100 0.055 0.000 0.651 56 G HN 0.237 nan 8.290 nan 0.000 0.511 57 K N -0.139 120.279 120.400 0.030 0.000 2.228 57 K HA 0.254 4.574 4.320 -0.000 0.000 0.202 57 K C 1.192 177.805 176.600 0.022 0.000 1.051 57 K CA 1.205 57.502 56.287 0.018 0.000 0.960 57 K CB 0.065 32.568 32.500 0.005 0.000 0.743 57 K HN 0.705 nan 8.250 nan 0.000 0.458 58 I N -0.955 119.635 120.570 0.034 0.000 2.603 58 I HA 0.261 4.431 4.170 -0.000 0.000 0.300 58 I C 0.462 176.625 176.117 0.076 0.000 1.017 58 I CA -1.116 60.206 61.300 0.036 0.000 1.098 58 I CB 1.798 39.806 38.000 0.012 0.000 1.279 58 I HN -0.157 nan 8.210 nan 0.000 0.437 59 T N 0.526 115.131 114.554 0.085 0.000 2.920 59 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 59 T C 0.638 175.443 174.700 0.176 0.000 1.093 59 T CA 0.070 62.260 62.100 0.151 0.000 0.944 59 T CB 0.878 69.831 68.868 0.142 0.000 1.605 59 T HN 0.520 nan 8.240 nan 0.000 0.590 60 F N 1.054 121.028 119.950 0.040 0.000 2.074 60 F HA 0.210 4.737 4.527 -0.000 0.000 0.290 60 F C 2.606 178.393 175.800 -0.022 0.000 1.118 60 F CA 1.364 59.343 58.000 -0.034 0.000 1.199 60 F CB -0.777 38.241 39.000 0.030 0.000 1.012 60 F HN 0.500 nan 8.300 nan 0.000 0.472 61 S N 1.196 116.991 115.700 0.158 0.000 2.977 61 S HA -0.075 4.395 4.470 -0.000 0.000 0.241 61 S C -0.045 174.559 174.600 0.007 0.000 0.994 61 S CA 0.298 58.529 58.200 0.052 0.000 1.054 61 S CB -1.194 62.065 63.200 0.098 0.000 0.818 61 S HN 0.365 nan 8.310 nan 0.000 0.534 62 Q N 0.157 119.943 119.800 -0.024 0.000 2.363 62 Q HA 0.546 4.886 4.340 -0.000 0.000 0.265 62 Q C -0.851 175.170 176.000 0.036 0.000 1.032 62 Q CA -0.395 55.402 55.803 -0.009 0.000 0.746 62 Q CB 1.561 30.296 28.738 -0.005 0.000 1.237 62 Q HN 0.526 nan 8.270 nan 0.000 0.475 91 I N 2.460 123.015 120.570 -0.025 0.000 5.253 91 I HA -0.290 3.880 4.170 -0.000 0.000 0.148 91 I C 0.730 176.916 176.117 0.114 0.000 1.456 91 I CA 1.617 62.931 61.300 0.022 0.000 2.570 91 I CB -1.966 36.023 38.000 -0.018 0.000 2.585 91 I HN 0.484 nan 8.210 nan 0.000 0.337 92 F N -0.499 119.412 119.950 -0.065 0.000 2.767 92 F HA 0.094 4.621 4.527 -0.000 0.000 0.329 92 F C 1.956 177.780 175.800 0.039 0.000 0.912 92 F CA 0.597 58.576 58.000 -0.034 0.000 1.115 92 F CB 0.068 39.012 39.000 -0.093 0.000 0.936 92 F HN -0.031 nan 8.300 nan 0.000 0.624 93 S N 1.759 117.821 115.700 0.604 0.000 2.422 93 S HA -0.383 4.087 4.470 -0.000 0.000 0.248 93 S C 2.284 176.970 174.600 0.142 0.000 1.069 93 S CA 2.825 61.310 58.200 0.477 0.000 1.214 93 S CB -0.819 62.602 63.200 0.369 0.000 1.122 93 S HN 0.742 nan 8.310 nan 0.000 0.432 94 Q N 1.709 121.558 119.800 0.081 0.000 2.250 94 Q HA -0.235 4.105 4.340 -0.000 0.000 0.215 94 Q C 2.125 178.096 176.000 -0.047 0.000 1.002 94 Q CA 2.392 58.204 55.803 0.015 0.000 0.910 94 Q CB -1.617 27.126 28.738 0.009 0.000 0.939 94 Q HN 0.689 nan 8.270 nan 0.000 0.416 95 A N 1.440 124.178 122.820 -0.138 0.000 1.948 95 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 95 A C 2.179 179.675 177.584 -0.147 0.000 1.177 95 A CA 2.213 54.131 52.037 -0.198 0.000 0.636 95 A CB -0.692 18.078 19.000 -0.383 0.000 0.815 95 A HN 0.527 nan 8.150 nan 0.000 0.449 96 M N -0.458 119.072 119.600 -0.117 0.000 2.476 96 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 96 M C 1.876 178.172 176.300 -0.007 0.000 1.079 96 M CA 1.637 56.940 55.300 0.005 0.000 1.104 96 M CB -0.621 32.077 32.600 0.163 0.000 1.409 96 M HN 0.407 nan 8.290 nan 0.000 0.467 97 A N -0.450 122.360 122.820 -0.016 0.000 2.081 97 A HA 0.330 4.650 4.320 -0.000 0.000 0.214 97 A C 2.204 179.773 177.584 -0.025 0.000 1.158 97 A CA 0.988 53.015 52.037 -0.017 0.000 0.724 97 A CB -0.602 18.394 19.000 -0.007 0.000 0.826 97 A HN 0.563 nan 8.150 nan 0.000 0.463 98 A N 0.839 123.640 122.820 -0.032 0.000 1.929 98 A HA 0.019 4.338 4.320 -0.000 0.000 0.216 98 A C 1.536 179.101 177.584 -0.032 0.000 1.176 98 A CA 0.833 52.850 52.037 -0.032 0.000 0.628 98 A CB -0.390 18.587 19.000 -0.038 0.000 0.816 98 A HN 0.681 nan 8.150 nan 0.000 0.444 99 R N 0.661 121.141 120.500 -0.034 0.000 2.543 99 R HA 0.430 4.769 4.340 -0.000 0.000 0.277 99 R C -0.272 176.009 176.300 -0.033 0.000 1.074 99 R CA 0.477 56.557 56.100 -0.033 0.000 1.076 99 R CB 0.489 30.771 30.300 -0.031 0.000 0.993 99 R HN 0.284 nan 8.270 nan 0.000 0.459 100 S N 2.794 118.476 115.700 -0.031 0.000 2.810 100 S HA 0.502 4.972 4.470 -0.000 0.000 0.315 100 S C -0.034 174.547 174.600 -0.031 0.000 1.138 100 S CA -1.097 57.085 58.200 -0.029 0.000 0.889 100 S CB 0.635 63.821 63.200 -0.023 0.000 1.236 100 S HN 0.475 nan 8.310 nan 0.000 0.548 101 I N 2.409 122.963 120.570 -0.027 0.000 2.692 101 I HA 0.151 4.321 4.170 -0.000 0.000 0.284 101 I C 0.780 176.875 176.117 -0.037 0.000 1.159 101 I CA 0.127 61.410 61.300 -0.028 0.000 1.423 101 I CB -0.044 37.947 38.000 -0.015 0.000 1.380 101 I HN 0.691 nan 8.210 nan 0.000 0.580 102 N N 5.825 124.496 118.700 -0.048 0.000 3.188 102 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 102 N C 1.081 176.547 175.510 -0.073 0.000 1.213 102 N CA -0.218 52.797 53.050 -0.058 0.000 1.138 102 N CB 0.080 38.529 38.487 -0.063 0.000 1.417 102 N HN 0.392 nan 8.380 nan 0.000 0.526 103 R N 1.172 121.635 120.500 -0.061 0.000 2.196 103 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 103 R C -0.926 175.317 176.300 -0.094 0.000 1.121 103 R CA 1.872 57.930 56.100 -0.070 0.000 0.930 103 R CB -2.332 27.939 30.300 -0.048 0.000 0.890 103 R HN 0.460 nan 8.270 nan 0.000 0.435 104 P HA -0.160 nan 4.420 nan 0.000 0.218 104 P C 1.511 178.710 177.300 -0.168 0.000 1.146 104 P CA 1.452 64.488 63.100 -0.107 0.000 0.813 104 P CB -0.186 31.462 31.700 -0.087 0.000 0.778 105 M N -1.079 118.422 119.600 -0.164 0.000 2.193 105 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 105 M C 2.340 178.483 176.300 -0.262 0.000 1.071 105 M CA 1.052 56.224 55.300 -0.212 0.000 1.140 105 M CB -1.303 31.199 32.600 -0.164 0.000 1.369 105 M HN -0.030 nan 8.290 nan 0.000 0.423 106 L N 0.089 121.191 121.223 -0.200 0.000 2.131 106 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 106 L C 2.556 179.280 176.870 -0.243 0.000 1.092 106 L CA 1.285 56.004 54.840 -0.202 0.000 0.759 106 L CB -0.190 41.784 42.059 -0.142 0.000 0.903 106 L HN 0.320 nan 8.230 nan 0.000 0.435 107 Q N -0.104 119.579 119.800 -0.194 0.000 1.967 107 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 107 Q C 2.325 178.240 176.000 -0.142 0.000 0.985 107 Q CA 1.901 57.616 55.803 -0.146 0.000 0.839 107 Q CB -0.756 27.927 28.738 -0.093 0.000 0.906 107 Q HN 0.601 nan 8.270 nan 0.000 0.423 108 A N 0.889 123.553 122.820 -0.260 0.000 2.054 108 A HA -0.255 4.065 4.320 -0.000 0.000 0.223 108 A C 2.168 179.679 177.584 -0.123 0.000 1.169 108 A CA 2.333 54.115 52.037 -0.426 0.000 0.655 108 A CB -0.666 17.940 19.000 -0.658 0.000 0.812 108 A HN 0.416 nan 8.150 nan 0.000 0.462 109 A N 0.123 122.825 122.820 -0.197 0.000 1.835 109 A HA 0.076 4.396 4.320 -0.000 0.000 0.213 109 A C 1.906 179.398 177.584 -0.153 0.000 1.210 109 A CA 1.242 53.169 52.037 -0.184 0.000 0.605 109 A CB -0.523 18.222 19.000 -0.425 0.000 0.860 109 A HN 0.411 nan 8.150 nan 0.000 0.447 110 I N 0.778 121.216 120.570 -0.220 0.000 2.300 110 I HA -0.317 3.852 4.170 -0.000 0.000 0.252 110 I C 2.775 178.857 176.117 -0.058 0.000 1.119 110 I CA 1.495 62.698 61.300 -0.162 0.000 1.384 110 I CB -2.020 35.869 38.000 -0.185 0.000 1.062 110 I HN 0.360 nan 8.210 nan 0.000 0.426 111 A N 1.989 124.811 122.820 0.003 0.000 1.842 111 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 111 A C 2.312 179.885 177.584 -0.019 0.000 1.206 111 A CA 1.629 53.707 52.037 0.068 0.000 0.630 111 A CB -0.921 18.287 19.000 0.347 0.000 0.839 111 A HN 0.302 nan 8.150 nan 0.000 0.447 112 L N -0.232 120.955 121.223 -0.060 0.000 2.012 112 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 112 L C 2.484 179.336 176.870 -0.030 0.000 1.073 112 L CA 2.562 57.226 54.840 -0.295 0.000 0.748 112 L CB -1.458 40.349 42.059 -0.421 0.000 0.891 112 L HN 0.635 nan 8.230 nan 0.000 0.431 113 K N 0.410 120.818 120.400 0.013 0.000 2.052 113 K HA -0.236 4.084 4.320 -0.000 0.000 0.215 113 K C 2.123 178.759 176.600 0.059 0.000 1.053 113 K CA 1.770 58.083 56.287 0.043 0.000 0.934 113 K CB -0.055 32.417 32.500 -0.047 0.000 0.717 113 K HN 0.140 nan 8.250 nan 0.000 0.450 114 K N 0.232 120.648 120.400 0.027 0.000 2.025 114 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 114 K C 2.111 178.752 176.600 0.069 0.000 1.049 114 K CA 1.571 57.879 56.287 0.034 0.000 0.933 114 K CB -0.128 32.380 32.500 0.014 0.000 0.714 114 K HN 0.154 nan 8.250 nan 0.000 0.438 115 K N 0.266 120.712 120.400 0.078 0.000 2.519 115 K HA -0.104 4.215 4.320 -0.000 0.000 0.196 115 K C 0.193 176.977 176.600 0.306 0.000 1.041 115 K CA 0.930 57.305 56.287 0.147 0.000 0.954 115 K CB -0.067 32.475 32.500 0.070 0.000 0.774 115 K HN 0.349 nan 8.250 nan 0.000 0.480 116 G N 0.056 109.034 108.800 0.298 0.000 2.600 116 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.251 116 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.251 116 G C -0.555 174.525 174.900 0.300 0.000 1.142 116 G CA -0.326 44.918 45.100 0.240 0.000 0.994 116 G HN 0.147 nan 8.290 nan 0.000 0.511 117 F N -0.588 119.389 119.950 0.044 0.000 2.740 117 F HA 0.826 5.353 4.527 -0.000 0.000 0.357 117 F C 0.653 176.489 175.800 0.060 0.000 1.141 117 F CA -0.802 57.236 58.000 0.064 0.000 1.044 117 F CB 1.695 40.751 39.000 0.094 0.000 1.430 117 F HN 0.032 nan 8.300 nan 0.000 0.518 118 T N 0.271 115.005 114.554 0.299 0.000 2.934 118 T HA 0.415 4.764 4.350 -0.000 0.000 0.328 118 T C -0.215 174.649 174.700 0.273 0.000 1.068 118 T CA -0.810 61.407 62.100 0.195 0.000 1.018 118 T CB 0.638 69.591 68.868 0.141 0.000 1.009 118 T HN 0.686 nan 8.240 nan 0.000 0.471 119 T N -0.051 114.670 114.554 0.278 0.000 2.849 119 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 119 T C 0.437 175.470 174.700 0.555 0.000 1.004 119 T CA -0.648 61.731 62.100 0.465 0.000 1.021 119 T CB 0.743 69.836 68.868 0.375 0.000 1.013 119 T HN 1.149 nan 8.240 nan 0.000 0.527 120 C N 0.228 119.985 119.300 0.762 0.000 3.197 120 C HA 0.681 5.141 4.460 -0.000 0.000 0.343 120 C C -1.748 173.398 174.990 0.259 0.000 1.291 120 C CA -1.293 58.011 59.018 0.476 0.000 1.191 120 C CB -0.367 27.598 27.740 0.376 0.000 1.444 120 C HN 1.060 nan 8.230 nan 0.000 0.468 121 I N 1.494 122.090 120.570 0.044 0.000 2.466 121 I HA 0.624 4.793 4.170 -0.000 0.000 0.289 121 I C -0.624 175.528 176.117 0.059 0.000 1.026 121 I CA -0.680 60.609 61.300 -0.019 0.000 1.078 121 I CB 2.108 39.944 38.000 -0.273 0.000 1.249 121 I HN 0.577 nan 8.210 nan 0.000 0.429 122 V N 4.619 124.607 119.914 0.124 0.000 2.289 122 V HA 0.363 4.482 4.120 -0.000 0.000 0.272 122 V C -0.034 176.116 176.094 0.093 0.000 1.026 122 V CA -0.276 62.067 62.300 0.071 0.000 0.807 122 V CB 1.189 33.024 31.823 0.020 0.000 1.044 122 V HN 0.827 nan 8.190 nan 0.000 0.443 123 T N 2.340 116.907 114.554 0.022 0.000 2.942 123 T HA 0.427 4.777 4.350 -0.000 0.000 0.289 123 T C 0.003 174.706 174.700 0.005 0.000 1.044 123 T CA -0.605 61.515 62.100 0.034 0.000 1.023 123 T CB 1.346 70.210 68.868 -0.006 0.000 1.123 123 T HN 0.484 nan 8.240 nan 0.000 0.512 124 N N 3.262 121.990 118.700 0.048 0.000 2.868 124 N HA 0.288 5.028 4.740 -0.000 0.000 0.252 124 N C 0.199 175.765 175.510 0.093 0.000 1.130 124 N CA -0.004 53.083 53.050 0.062 0.000 1.026 124 N CB -0.471 38.071 38.487 0.092 0.000 1.335 124 N HN 0.558 nan 8.380 nan 0.000 0.516 125 N N 0.446 119.161 118.700 0.025 0.000 2.267 125 N HA 0.318 5.058 4.740 -0.000 0.000 0.269 125 N C -0.701 174.921 175.510 0.187 0.000 1.287 125 N CA 0.107 53.139 53.050 -0.031 0.000 0.916 125 N CB 0.458 38.894 38.487 -0.085 0.000 1.052 125 N HN 0.412 nan 8.380 nan 0.000 0.496 126 W N -0.874 120.446 121.300 0.033 0.000 3.546 126 W HA 0.314 4.974 4.660 -0.000 0.000 0.291 126 W C -2.702 173.841 176.519 0.041 0.000 1.199 126 W CA -0.884 56.497 57.345 0.060 0.000 1.159 126 W CB -0.441 29.091 29.460 0.121 0.000 1.333 126 W HN 0.086 nan 8.180 nan 0.000 0.570 127 L N 3.983 125.469 121.223 0.438 0.000 2.278 127 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 127 L C 0.338 177.457 176.870 0.415 0.000 1.072 127 L CA 0.055 55.065 54.840 0.283 0.000 0.819 127 L CB 0.630 42.798 42.059 0.181 0.000 1.176 127 L HN 0.401 nan 8.230 nan 0.000 0.435 128 D N 3.392 123.935 120.400 0.239 0.000 2.428 128 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 128 D C -0.515 175.837 176.300 0.086 0.000 1.123 128 D CA -0.240 53.849 54.000 0.148 0.000 0.869 128 D CB 1.127 41.934 40.800 0.012 0.000 1.032 128 D HN 0.610 nan 8.370 nan 0.000 0.506 129 D N 1.864 122.358 120.400 0.157 0.000 2.615 129 D HA 0.180 4.820 4.640 -0.000 0.000 0.236 129 D C 0.976 177.368 176.300 0.154 0.000 1.233 129 D CA -0.646 53.432 54.000 0.129 0.000 0.829 129 D CB 0.297 41.177 40.800 0.133 0.000 1.024 129 D HN 0.261 nan 8.370 nan 0.000 0.490 130 G N 0.082 108.962 108.800 0.133 0.000 2.611 130 G HA2 0.062 4.021 3.960 -0.000 0.000 0.273 130 G HA3 0.062 4.021 3.960 -0.000 0.000 0.273 130 G C 0.528 175.493 174.900 0.108 0.000 1.305 130 G CA -0.496 44.713 45.100 0.182 0.000 1.010 130 G HN 0.122 nan 8.290 nan 0.000 0.509 131 D N -0.870 119.598 120.400 0.113 0.000 2.333 131 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 131 D C 0.546 176.873 176.300 0.045 0.000 0.984 131 D CA 0.732 54.775 54.000 0.071 0.000 0.873 131 D CB 0.339 41.183 40.800 0.073 0.000 0.935 131 D HN 0.542 nan 8.370 nan 0.000 0.521 132 K N 0.719 121.145 120.400 0.044 0.000 3.271 132 K HA 0.386 4.706 4.320 -0.000 0.000 0.192 132 K C 0.545 177.141 176.600 -0.007 0.000 1.108 132 K CA -0.368 55.930 56.287 0.018 0.000 0.902 132 K CB 0.608 33.125 32.500 0.028 0.000 0.889 132 K HN -0.153 nan 8.250 nan 0.000 0.520 133 R N 0.490 120.980 120.500 -0.016 0.000 2.173 133 R HA -0.050 4.290 4.340 -0.000 0.000 0.208 133 R C 0.977 177.251 176.300 -0.044 0.000 1.035 133 R CA 0.952 57.026 56.100 -0.043 0.000 1.004 133 R CB -0.498 29.780 30.300 -0.036 0.000 0.917 133 R HN 0.310 nan 8.270 nan 0.000 0.462 134 D N 1.611 121.992 120.400 -0.031 0.000 2.248 134 D HA -0.362 4.278 4.640 -0.000 0.000 0.189 134 D C 1.717 177.991 176.300 -0.044 0.000 1.011 134 D CA 2.055 56.034 54.000 -0.036 0.000 0.868 134 D CB -0.965 39.816 40.800 -0.032 0.000 0.931 134 D HN 0.235 nan 8.370 nan 0.000 0.449 135 S N 0.315 115.990 115.700 -0.042 0.000 2.389 135 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 135 S C 2.053 176.617 174.600 -0.060 0.000 1.048 135 S CA 1.737 59.909 58.200 -0.046 0.000 1.117 135 S CB -0.942 62.234 63.200 -0.040 0.000 1.020 135 S HN 0.310 nan 8.310 nan 0.000 0.430 136 L N 1.897 123.073 121.223 -0.078 0.000 2.034 136 L HA -0.153 4.187 4.340 -0.000 0.000 0.217 136 L C 2.806 179.619 176.870 -0.096 0.000 1.077 136 L CA 2.258 57.030 54.840 -0.113 0.000 0.769 136 L CB -1.166 40.796 42.059 -0.161 0.000 0.890 136 L HN 0.524 nan 8.230 nan 0.000 0.435 137 A N -1.135 121.639 122.820 -0.077 0.000 1.859 137 A HA -0.364 3.956 4.320 -0.000 0.000 0.218 137 A C 2.109 179.662 177.584 -0.052 0.000 1.209 137 A CA 2.324 54.324 52.037 -0.062 0.000 0.639 137 A CB -0.891 18.080 19.000 -0.049 0.000 0.835 137 A HN 0.644 nan 8.150 nan 0.000 0.450 138 Q N -1.366 118.406 119.800 -0.046 0.000 2.062 138 Q HA -0.275 4.065 4.340 -0.000 0.000 0.209 138 Q C 2.239 178.221 176.000 -0.029 0.000 0.996 138 Q CA 2.119 57.900 55.803 -0.036 0.000 0.859 138 Q CB -0.391 28.325 28.738 -0.037 0.000 0.920 138 Q HN 0.818 nan 8.270 nan 0.000 0.415 139 M N -0.273 119.305 119.600 -0.037 0.000 2.080 139 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 139 M C 1.794 178.078 176.300 -0.026 0.000 1.068 139 M CA 1.450 56.732 55.300 -0.030 0.000 1.109 139 M CB 0.025 32.594 32.600 -0.051 0.000 1.342 139 M HN 0.170 nan 8.290 nan 0.000 0.405 140 M N 0.085 119.655 119.600 -0.050 0.000 2.086 140 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 140 M C 2.678 178.963 176.300 -0.025 0.000 1.067 140 M CA 1.616 56.886 55.300 -0.050 0.000 1.116 140 M CB -2.136 30.418 32.600 -0.076 0.000 1.348 140 M HN 0.701 nan 8.290 nan 0.000 0.407 141 C N 0.374 119.657 119.300 -0.029 0.000 2.437 141 C HA -0.090 4.370 4.460 -0.000 0.000 0.283 141 C C 2.412 177.389 174.990 -0.022 0.000 1.424 141 C CA 0.833 59.835 59.018 -0.027 0.000 1.782 141 C CB -0.951 26.771 27.740 -0.030 0.000 1.833 141 C HN 0.542 nan 8.230 nan 0.000 0.532 142 E N -0.024 120.178 120.200 0.002 0.000 2.075 142 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 142 E C 2.192 178.837 176.600 0.076 0.000 0.969 142 E CA 0.757 57.179 56.400 0.037 0.000 0.815 142 E CB -0.069 29.667 29.700 0.061 0.000 0.776 142 E HN 0.681 nan 8.360 nan 0.000 0.457 143 L N 1.282 122.579 121.223 0.125 0.000 2.141 143 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 143 L C 2.725 179.736 176.870 0.235 0.000 1.094 143 L CA 1.052 56.067 54.840 0.291 0.000 0.763 143 L CB -0.959 41.223 42.059 0.206 0.000 0.908 143 L HN 0.187 nan 8.230 nan 0.000 0.437 144 S N 0.426 116.165 115.700 0.066 0.000 2.407 144 S HA -0.343 4.127 4.470 -0.000 0.000 0.244 144 S C 1.885 176.449 174.600 -0.060 0.000 1.077 144 S CA 1.628 59.840 58.200 0.022 0.000 1.159 144 S CB -0.618 62.562 63.200 -0.033 0.000 1.045 144 S HN 0.439 nan 8.310 nan 0.000 0.438 145 Q N 0.943 120.562 119.800 -0.302 0.000 2.439 145 Q HA -0.021 4.319 4.340 -0.000 0.000 0.211 145 Q C 0.795 176.472 176.000 -0.538 0.000 0.978 145 Q CA 1.001 56.531 55.803 -0.454 0.000 0.897 145 Q CB -0.533 27.872 28.738 -0.555 0.000 0.956 145 Q HN 0.860 nan 8.270 nan 0.000 0.483 146 H N -1.655 117.351 119.070 -0.107 0.000 2.469 146 H HA 0.337 4.893 4.556 -0.000 0.000 0.286 146 H C -0.539 174.233 175.328 -0.926 0.000 1.106 146 H CA -0.094 55.681 56.048 -0.455 0.000 1.055 146 H CB -0.236 29.184 29.762 -0.570 0.000 1.618 146 H HN -0.006 nan 8.280 nan 0.000 0.559 147 F N -0.273 119.694 119.950 0.028 0.000 2.654 147 F HA 0.192 4.719 4.527 -0.000 0.000 0.308 147 F C 0.621 176.393 175.800 -0.048 0.000 1.108 147 F CA -0.936 57.086 58.000 0.037 0.000 0.957 147 F CB 1.826 40.874 39.000 0.079 0.000 1.309 147 F HN -0.182 nan 8.300 nan 0.000 0.446 148 D N 0.863 121.300 120.400 0.061 0.000 2.277 148 D HA 0.095 4.735 4.640 -0.000 0.000 0.209 148 D C -0.221 175.791 176.300 -0.481 0.000 0.970 148 D CA 1.293 55.111 54.000 -0.302 0.000 0.874 148 D CB 0.681 41.173 40.800 -0.514 0.000 0.982 148 D HN 0.171 nan 8.370 nan 0.000 0.504 149 F N 0.409 120.470 119.950 0.184 0.000 2.578 149 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 149 F C -0.610 175.259 175.800 0.115 0.000 1.094 149 F CA -1.161 56.920 58.000 0.136 0.000 0.923 149 F CB 2.535 41.610 39.000 0.125 0.000 1.230 149 F HN -0.308 nan 8.300 nan 0.000 0.450 150 L N 5.277 126.679 121.223 0.297 0.000 2.366 150 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 150 L C -0.237 176.693 176.870 0.099 0.000 1.010 150 L CA -0.472 54.451 54.840 0.138 0.000 0.879 150 L CB 0.925 43.031 42.059 0.079 0.000 1.228 150 L HN 0.503 nan 8.230 nan 0.000 0.439 151 I N 2.973 123.589 120.570 0.077 0.000 2.293 151 I HA 0.111 4.281 4.170 -0.000 0.000 0.280 151 I C 0.538 176.607 176.117 -0.080 0.000 1.075 151 I CA -0.216 61.085 61.300 0.002 0.000 1.702 151 I CB -0.685 37.326 38.000 0.018 0.000 1.477 151 I HN 0.499 nan 8.210 nan 0.000 0.733 152 E N 1.664 121.818 120.200 -0.077 0.000 2.366 152 E HA -0.006 4.343 4.350 -0.000 0.000 0.266 152 E C 1.431 177.961 176.600 -0.117 0.000 1.015 152 E CA 0.030 56.378 56.400 -0.087 0.000 0.906 152 E CB 1.017 30.673 29.700 -0.074 0.000 0.979 152 E HN 0.477 nan 8.360 nan 0.000 0.443 153 S N 2.752 118.397 115.700 -0.091 0.000 2.359 153 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 153 S C 1.914 176.476 174.600 -0.064 0.000 1.035 153 S CA 1.440 59.587 58.200 -0.089 0.000 1.018 153 S CB -0.574 62.608 63.200 -0.031 0.000 0.876 153 S HN 0.849 nan 8.310 nan 0.000 0.448 154 C N 0.339 119.631 119.300 -0.013 0.000 2.526 154 C HA 0.391 4.850 4.460 -0.000 0.000 0.286 154 C C 2.100 177.079 174.990 -0.017 0.000 1.416 154 C CA -0.047 58.980 59.018 0.015 0.000 1.671 154 C CB -1.334 26.457 27.740 0.084 0.000 1.650 154 C HN 0.464 nan 8.230 nan 0.000 0.590 155 Q N 0.774 120.536 119.800 -0.064 0.000 2.431 155 Q HA 0.183 4.523 4.340 -0.000 0.000 0.244 155 Q C 1.891 177.825 176.000 -0.110 0.000 0.880 155 Q CA 1.548 57.310 55.803 -0.069 0.000 0.954 155 Q CB 0.546 29.245 28.738 -0.065 0.000 1.105 155 Q HN 0.749 nan 8.270 nan 0.000 0.558 156 V N -2.603 117.188 119.914 -0.204 0.000 3.099 156 V HA 0.601 4.721 4.120 -0.000 0.000 0.356 156 V C 1.029 176.994 176.094 -0.214 0.000 1.364 156 V CA 0.723 62.843 62.300 -0.300 0.000 1.229 156 V CB -0.024 31.341 31.823 -0.763 0.000 1.227 156 V HN 0.333 nan 8.190 nan 0.000 0.493 157 G N 1.897 110.624 108.800 -0.122 0.000 3.639 157 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.224 157 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.224 157 G C 0.179 175.034 174.900 -0.075 0.000 1.339 157 G CA 0.945 46.000 45.100 -0.075 0.000 0.933 157 G HN 0.748 nan 8.290 nan 0.000 0.568 158 M N 2.729 122.263 119.600 -0.110 0.000 2.243 158 M HA 0.675 5.154 4.480 -0.000 0.000 0.341 158 M C 0.445 176.691 176.300 -0.091 0.000 1.130 158 M CA -0.200 55.050 55.300 -0.082 0.000 1.162 158 M CB 1.230 33.784 32.600 -0.076 0.000 1.497 158 M HN 0.625 nan 8.290 nan 0.000 0.456 159 I N -0.855 119.689 120.570 -0.043 0.000 2.828 159 I HA 0.564 4.734 4.170 -0.000 0.000 0.302 159 I C -0.991 175.125 176.117 -0.001 0.000 1.101 159 I CA -1.195 60.084 61.300 -0.035 0.000 1.031 159 I CB 1.890 39.888 38.000 -0.002 0.000 1.231 159 I HN 0.707 nan 8.210 nan 0.000 0.427 160 K N 4.949 125.343 120.400 -0.010 0.000 2.485 160 K HA 0.212 4.532 4.320 -0.000 0.000 0.277 160 K C -1.962 174.686 176.600 0.080 0.000 0.990 160 K CA -0.766 55.565 56.287 0.073 0.000 0.994 160 K CB 0.379 32.917 32.500 0.063 0.000 0.906 160 K HN 0.491 nan 8.250 nan 0.000 0.488 161 P HA 0.115 nan 4.420 nan 0.000 0.262 161 P C -0.875 176.573 177.300 0.246 0.000 1.651 161 P CA -0.168 63.099 63.100 0.279 0.000 1.119 161 P CB 0.152 31.932 31.700 0.133 0.000 1.552 162 E N 2.423 122.733 120.200 0.183 0.000 2.271 162 E HA 0.000 4.350 4.350 -0.000 0.000 0.255 162 E C -1.003 175.714 176.600 0.194 0.000 1.177 162 E CA -1.609 54.862 56.400 0.118 0.000 0.946 162 E CB 0.398 30.138 29.700 0.067 0.000 1.009 162 E HN 0.170 nan 8.360 nan 0.000 0.451 163 P HA -0.345 nan 4.420 nan 0.000 0.220 163 P C 1.131 178.534 177.300 0.171 0.000 1.149 163 P CA 1.369 64.508 63.100 0.065 0.000 0.829 163 P CB 0.072 31.745 31.700 -0.046 0.000 0.772 164 Q N 0.066 119.944 119.800 0.130 0.000 2.167 164 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 164 Q C 2.044 178.124 176.000 0.134 0.000 0.970 164 Q CA 1.404 57.273 55.803 0.110 0.000 0.855 164 Q CB -1.230 27.549 28.738 0.068 0.000 0.911 164 Q HN 0.286 nan 8.270 nan 0.000 0.438 165 I N 0.180 120.813 120.570 0.106 0.000 2.113 165 I HA -0.269 3.901 4.170 -0.000 0.000 0.238 165 I C 2.186 178.312 176.117 0.014 0.000 1.070 165 I CA 1.458 62.738 61.300 -0.033 0.000 1.332 165 I CB -1.062 36.805 38.000 -0.221 0.000 1.044 165 I HN -0.078 nan 8.210 nan 0.000 0.402 166 Y N 1.094 121.372 120.300 -0.036 0.000 2.102 166 Y HA -0.309 4.240 4.550 -0.000 0.000 0.280 166 Y C 2.542 178.441 175.900 -0.002 0.000 1.178 166 Y CA 2.125 60.188 58.100 -0.062 0.000 1.146 166 Y CB -1.284 37.111 38.460 -0.108 0.000 0.968 166 Y HN 0.221 nan 8.280 nan 0.000 0.504 167 N N -0.645 118.169 118.700 0.189 0.000 2.223 167 N HA -0.209 4.531 4.740 -0.000 0.000 0.185 167 N C 1.653 177.213 175.510 0.084 0.000 1.016 167 N CA 0.987 54.100 53.050 0.105 0.000 0.863 167 N CB -0.422 38.113 38.487 0.080 0.000 0.983 167 N HN 0.336 nan 8.380 nan 0.000 0.429 168 F N 0.440 120.373 119.950 -0.028 0.000 2.234 168 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 168 F C 1.786 177.534 175.800 -0.088 0.000 1.087 168 F CA 0.612 58.577 58.000 -0.060 0.000 1.340 168 F CB -0.117 38.843 39.000 -0.067 0.000 1.031 168 F HN 0.064 nan 8.300 nan 0.000 0.500 169 L N 0.639 121.971 121.223 0.182 0.000 1.950 169 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 169 L C 2.089 178.924 176.870 -0.057 0.000 1.079 169 L CA 1.873 56.757 54.840 0.073 0.000 0.754 169 L CB -1.118 40.970 42.059 0.049 0.000 0.889 169 L HN 0.157 nan 8.230 nan 0.000 0.433 170 L N 0.412 121.625 121.223 -0.016 0.000 2.103 170 L HA -0.319 4.021 4.340 -0.000 0.000 0.215 170 L C 2.253 179.074 176.870 -0.082 0.000 1.080 170 L CA 1.897 56.725 54.840 -0.020 0.000 0.764 170 L CB -1.195 40.865 42.059 0.002 0.000 0.890 170 L HN 0.404 nan 8.230 nan 0.000 0.435 171 D N -0.873 119.442 120.400 -0.142 0.000 2.106 171 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 171 D C 2.378 178.505 176.300 -0.289 0.000 0.997 171 D CA 2.070 55.941 54.000 -0.215 0.000 0.834 171 D CB -0.232 40.390 40.800 -0.296 0.000 0.956 171 D HN 0.504 nan 8.370 nan 0.000 0.448 172 T N -1.720 112.575 114.554 -0.432 0.000 2.942 172 T HA -0.058 4.291 4.350 -0.000 0.000 0.265 172 T C 1.972 176.429 174.700 -0.404 0.000 1.062 172 T CA 0.359 62.143 62.100 -0.527 0.000 1.139 172 T CB -0.370 68.044 68.868 -0.756 0.000 0.883 172 T HN -0.021 nan 8.240 nan 0.000 0.468 173 L N 0.972 122.071 121.223 -0.206 0.000 2.201 173 L HA 0.229 4.569 4.340 -0.000 0.000 0.212 173 L C 1.027 177.931 176.870 0.057 0.000 1.105 173 L CA 1.221 56.087 54.840 0.042 0.000 0.775 173 L CB -0.619 41.499 42.059 0.098 0.000 0.913 173 L HN 0.380 nan 8.230 nan 0.000 0.440 174 K N -1.432 118.955 120.400 -0.021 0.000 3.181 174 K HA -0.154 4.166 4.320 -0.000 0.000 0.269 174 K C -0.045 176.562 176.600 0.012 0.000 1.097 174 K CA 0.633 56.914 56.287 -0.009 0.000 0.783 174 K CB -2.420 30.088 32.500 0.013 0.000 1.267 174 K HN 0.314 nan 8.250 nan 0.000 0.484 175 A N 0.788 123.614 122.820 0.011 0.000 2.527 175 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 175 A C -0.838 176.754 177.584 0.013 0.000 1.117 175 A CA -0.980 51.068 52.037 0.019 0.000 0.723 175 A CB 1.197 20.221 19.000 0.041 0.000 1.313 175 A HN 0.189 nan 8.150 nan 0.000 0.411 176 K N 1.486 121.895 120.400 0.014 0.000 2.172 176 K HA 0.364 4.684 4.320 -0.000 0.000 0.276 176 K C -1.900 174.715 176.600 0.024 0.000 1.013 176 K CA -1.838 54.457 56.287 0.014 0.000 0.913 176 K CB 1.265 33.770 32.500 0.009 0.000 1.055 176 K HN 0.336 nan 8.250 nan 0.000 0.461 177 P HA -0.301 nan 4.420 nan 0.000 0.218 177 P C 0.378 177.703 177.300 0.041 0.000 1.150 177 P CA 1.804 64.925 63.100 0.034 0.000 0.841 177 P CB -0.016 31.698 31.700 0.024 0.000 0.784 178 N N 1.545 120.264 118.700 0.033 0.000 2.062 178 N HA -0.197 4.542 4.740 -0.000 0.000 0.191 178 N C 1.028 176.564 175.510 0.044 0.000 1.042 178 N CA 1.046 54.117 53.050 0.036 0.000 0.845 178 N CB -1.674 36.828 38.487 0.025 0.000 1.024 178 N HN 0.228 nan 8.380 nan 0.000 0.424 179 E N 0.500 120.721 120.200 0.035 0.000 2.528 179 E HA 0.203 4.553 4.350 -0.000 0.000 0.237 179 E C -0.616 176.018 176.600 0.056 0.000 1.408 179 E CA -0.447 55.973 56.400 0.034 0.000 1.571 179 E CB 0.049 29.753 29.700 0.006 0.000 1.395 179 E HN 0.246 nan 8.360 nan 0.000 0.438 180 V N -0.075 119.886 119.914 0.077 0.000 2.752 180 V HA 0.415 4.535 4.120 -0.000 0.000 0.302 180 V C -1.505 174.655 176.094 0.111 0.000 1.133 180 V CA -1.006 61.354 62.300 0.100 0.000 0.919 180 V CB 2.096 33.974 31.823 0.093 0.000 1.026 180 V HN 0.143 nan 8.190 nan 0.000 0.429 181 V N 7.913 127.895 119.914 0.114 0.000 2.448 181 V HA 0.722 4.842 4.120 -0.000 0.000 0.295 181 V C -0.983 175.163 176.094 0.087 0.000 1.025 181 V CA -0.427 61.933 62.300 0.099 0.000 0.859 181 V CB 1.485 33.353 31.823 0.074 0.000 0.988 181 V HN 0.936 nan 8.190 nan 0.000 0.431 182 F N 7.285 127.209 119.950 -0.044 0.000 2.399 182 F HA 0.755 5.282 4.527 -0.000 0.000 0.328 182 F C -0.834 174.923 175.800 -0.072 0.000 1.084 182 F CA -1.318 56.643 58.000 -0.065 0.000 1.053 182 F CB 1.644 40.666 39.000 0.038 0.000 1.209 182 F HN 0.356 nan 8.300 nan 0.000 0.502 183 L N 5.109 125.762 121.223 -0.951 0.000 2.406 183 L HA 0.364 4.703 4.340 -0.000 0.000 0.270 183 L C -1.207 175.185 176.870 -0.797 0.000 0.982 183 L CA -0.404 54.047 54.840 -0.648 0.000 0.843 183 L CB 1.150 43.023 42.059 -0.311 0.000 1.225 183 L HN 0.592 nan 8.230 nan 0.000 0.412 184 D N 1.404 121.512 120.400 -0.487 0.000 2.645 184 D HA 0.221 4.861 4.640 -0.000 0.000 0.228 184 D C 0.051 176.310 176.300 -0.068 0.000 1.148 184 D CA -0.175 53.687 54.000 -0.230 0.000 0.860 184 D CB 3.005 43.779 40.800 -0.043 0.000 1.548 184 D HN 0.578 nan 8.370 nan 0.000 0.460 185 D N 1.059 121.434 120.400 -0.040 0.000 2.328 185 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 185 D C 1.005 177.148 176.300 -0.262 0.000 1.072 185 D CA 0.113 54.027 54.000 -0.144 0.000 0.850 185 D CB 0.031 40.705 40.800 -0.211 0.000 0.922 185 D HN 0.231 nan 8.370 nan 0.000 0.516 186 F N 0.593 120.562 119.950 0.032 0.000 2.482 186 F HA 0.339 4.866 4.527 -0.000 0.000 0.278 186 F C 2.411 178.226 175.800 0.025 0.000 0.969 186 F CA 1.054 59.083 58.000 0.048 0.000 1.223 186 F CB 0.126 39.176 39.000 0.082 0.000 1.140 186 F HN 0.196 nan 8.300 nan 0.000 0.672 187 G N -0.360 108.598 108.800 0.264 0.000 2.308 187 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.221 187 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.221 187 G C 1.221 176.217 174.900 0.161 0.000 1.032 187 G CA 0.490 45.680 45.100 0.151 0.000 0.623 187 G HN 0.322 nan 8.290 nan 0.000 0.506 188 S N 0.864 116.681 115.700 0.195 0.000 2.447 188 S HA -0.003 4.466 4.470 -0.000 0.000 0.233 188 S C 1.696 176.368 174.600 0.119 0.000 1.006 188 S CA 1.463 59.737 58.200 0.122 0.000 0.957 188 S CB -0.137 63.121 63.200 0.096 0.000 0.773 188 S HN 0.446 nan 8.310 nan 0.000 0.507 189 N N 0.944 119.766 118.700 0.202 0.000 2.392 189 N HA 0.290 5.030 4.740 -0.000 0.000 0.177 189 N C 1.134 176.872 175.510 0.379 0.000 1.066 189 N CA 0.321 53.542 53.050 0.285 0.000 0.895 189 N CB -0.197 38.503 38.487 0.355 0.000 0.988 189 N HN 0.348 nan 8.380 nan 0.000 0.457 190 L N 0.028 121.439 121.223 0.312 0.000 2.529 190 L HA 0.148 4.488 4.340 -0.000 0.000 0.223 190 L C 2.126 179.083 176.870 0.146 0.000 1.113 190 L CA 0.282 55.312 54.840 0.317 0.000 0.861 190 L CB 0.068 42.275 42.059 0.247 0.000 1.012 190 L HN 0.024 nan 8.230 nan 0.000 0.461 191 K N 0.892 121.336 120.400 0.073 0.000 2.001 191 K HA -0.189 4.131 4.320 -0.000 0.000 0.214 191 K C -0.509 176.051 176.600 -0.067 0.000 1.050 191 K CA 1.766 58.056 56.287 0.005 0.000 0.934 191 K CB -0.788 31.706 32.500 -0.009 0.000 0.718 191 K HN 0.127 nan 8.250 nan 0.000 0.443 192 P HA -0.220 nan 4.420 nan 0.000 0.215 192 P C 0.993 178.134 177.300 -0.264 0.000 1.163 192 P CA 2.108 64.983 63.100 -0.375 0.000 0.894 192 P CB -0.142 31.000 31.700 -0.931 0.000 0.791 193 A N -0.006 122.719 122.820 -0.158 0.000 1.859 193 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 193 A C 2.446 180.046 177.584 0.026 0.000 1.209 193 A CA 2.533 54.578 52.037 0.014 0.000 0.639 193 A CB -1.520 17.596 19.000 0.194 0.000 0.835 193 A HN 0.065 nan 8.150 nan 0.000 0.450 194 R N -0.874 119.651 120.500 0.042 0.000 2.148 194 R HA -0.147 4.193 4.340 -0.000 0.000 0.227 194 R C 1.403 177.706 176.300 0.005 0.000 1.103 194 R CA 1.548 57.669 56.100 0.034 0.000 0.983 194 R CB -0.344 29.980 30.300 0.041 0.000 0.874 194 R HN 0.525 nan 8.270 nan 0.000 0.451 195 D N 0.255 120.641 120.400 -0.023 0.000 2.117 195 D HA -0.181 4.458 4.640 -0.000 0.000 0.197 195 D C 1.701 177.981 176.300 -0.033 0.000 0.987 195 D CA 1.352 55.330 54.000 -0.035 0.000 0.829 195 D CB -0.047 40.713 40.800 -0.066 0.000 0.961 195 D HN 0.268 nan 8.370 nan 0.000 0.460 196 M N -1.157 118.419 119.600 -0.040 0.000 2.476 196 M HA 0.054 4.534 4.480 -0.000 0.000 0.262 196 M C 1.010 177.309 176.300 -0.002 0.000 1.079 196 M CA 1.133 56.417 55.300 -0.025 0.000 1.104 196 M CB 0.389 32.973 32.600 -0.026 0.000 1.409 196 M HN 0.223 nan 8.290 nan 0.000 0.467 197 G N 0.219 109.024 108.800 0.008 0.000 2.159 197 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.170 197 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.170 197 G C 0.074 174.993 174.900 0.033 0.000 1.007 197 G CA -0.479 44.632 45.100 0.018 0.000 0.672 197 G HN 0.280 nan 8.290 nan 0.000 0.507 198 M N 0.669 120.295 119.600 0.043 0.000 2.291 198 M HA 0.430 4.909 4.480 -0.000 0.000 0.324 198 M C 0.650 176.997 176.300 0.077 0.000 1.148 198 M CA -0.442 54.899 55.300 0.069 0.000 1.104 198 M CB 1.598 34.252 32.600 0.091 0.000 1.483 198 M HN -0.080 nan 8.290 nan 0.000 0.467 199 V N 1.458 121.424 119.914 0.088 0.000 2.372 199 V HA 0.119 4.239 4.120 -0.000 0.000 0.261 199 V C 0.490 176.645 176.094 0.102 0.000 1.055 199 V CA -0.328 62.022 62.300 0.084 0.000 0.930 199 V CB 0.492 32.365 31.823 0.082 0.000 1.031 199 V HN 0.863 nan 8.190 nan 0.000 0.479 200 T N 6.351 120.963 114.554 0.097 0.000 2.913 200 T HA 0.705 5.055 4.350 -0.000 0.000 0.287 200 T C -0.553 174.184 174.700 0.062 0.000 1.008 200 T CA -0.295 61.872 62.100 0.111 0.000 1.067 200 T CB 0.387 69.324 68.868 0.114 0.000 0.996 200 T HN 0.487 nan 8.240 nan 0.000 0.513 201 I N 4.852 125.441 120.570 0.032 0.000 2.611 201 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 201 I C -0.779 175.318 176.117 -0.033 0.000 1.184 201 I CA -0.921 60.379 61.300 -0.001 0.000 1.054 201 I CB 1.835 39.830 38.000 -0.008 0.000 1.257 201 I HN 0.482 nan 8.210 nan 0.000 0.435 202 L N 6.614 127.824 121.223 -0.023 0.000 2.543 202 L HA 0.497 4.837 4.340 -0.000 0.000 0.231 202 L C 0.443 177.292 176.870 -0.035 0.000 1.194 202 L CA 0.585 55.401 54.840 -0.040 0.000 0.823 202 L CB 1.516 43.537 42.059 -0.063 0.000 1.374 202 L HN 0.469 nan 8.230 nan 0.000 0.507 203 V N -1.444 118.450 119.914 -0.032 0.000 3.442 203 V HA 0.151 4.271 4.120 -0.000 0.000 0.205 203 V C 1.182 177.322 176.094 0.077 0.000 1.320 203 V CA 0.763 63.061 62.300 -0.003 0.000 1.306 203 V CB -0.265 31.538 31.823 -0.034 0.000 1.267 203 V HN 0.859 nan 8.190 nan 0.000 0.538 204 H N 1.570 120.592 119.070 -0.080 0.000 5.079 204 H HA -0.247 4.309 4.556 -0.000 0.000 0.060 204 H C 0.938 176.224 175.328 -0.070 0.000 0.559 204 H CA 2.178 58.182 56.048 -0.074 0.000 0.996 204 H CB -1.227 28.509 29.762 -0.042 0.000 0.490 204 H HN 0.768 nan 8.280 nan 0.000 0.776 205 N N -1.284 117.443 118.700 0.045 0.000 2.669 205 N HA 0.278 5.018 4.740 -0.000 0.000 0.306 205 N C 1.006 176.499 175.510 -0.029 0.000 1.352 205 N CA 0.480 53.515 53.050 -0.025 0.000 0.886 205 N CB 0.230 38.704 38.487 -0.021 0.000 1.107 205 N HN 0.327 nan 8.380 nan 0.000 0.534 206 T N -4.039 110.495 114.554 -0.033 0.000 3.206 206 T HA 0.653 5.003 4.350 -0.000 0.000 0.253 206 T C 0.606 175.284 174.700 -0.036 0.000 1.042 206 T CA 0.022 62.100 62.100 -0.036 0.000 0.931 206 T CB -1.061 67.785 68.868 -0.037 0.000 1.029 206 T HN 0.928 nan 8.240 nan 0.000 0.564 207 A N 0.986 123.788 122.820 -0.029 0.000 3.854 207 A HA 0.196 4.516 4.320 -0.000 0.000 0.202 207 A C 1.437 179.006 177.584 -0.025 0.000 1.591 207 A CA 0.689 52.705 52.037 -0.035 0.000 1.092 207 A CB -1.717 17.250 19.000 -0.056 0.000 0.786 207 A HN 1.292 nan 8.150 nan 0.000 0.373 208 S N -1.304 114.376 115.700 -0.033 0.000 4.151 208 S HA -0.348 4.122 4.470 -0.000 0.000 0.533 208 S C 2.226 176.825 174.600 -0.002 0.000 1.753 208 S CA 3.651 61.842 58.200 -0.016 0.000 4.124 208 S CB -2.113 61.082 63.200 -0.008 0.000 0.941 208 S HN 2.661 nan 8.310 nan 0.000 0.454 209 A N 2.069 124.893 122.820 0.007 0.000 1.948 209 A HA 0.035 4.355 4.320 -0.000 0.000 0.220 209 A C 2.084 179.678 177.584 0.017 0.000 1.177 209 A CA 2.143 54.191 52.037 0.018 0.000 0.636 209 A CB -0.725 18.290 19.000 0.025 0.000 0.815 209 A HN 0.634 nan 8.150 nan 0.000 0.449 210 L N 0.048 121.274 121.223 0.003 0.000 1.921 210 L HA -0.252 4.087 4.340 -0.000 0.000 0.219 210 L C 2.915 179.778 176.870 -0.012 0.000 1.081 210 L CA 2.197 57.035 54.840 -0.004 0.000 0.771 210 L CB -0.473 41.576 42.059 -0.016 0.000 0.888 210 L HN 0.568 nan 8.230 nan 0.000 0.433 211 R N -0.596 119.868 120.500 -0.060 0.000 2.226 211 R HA -0.230 4.110 4.340 -0.000 0.000 0.246 211 R C 1.949 178.252 176.300 0.006 0.000 1.161 211 R CA 1.433 57.452 56.100 -0.135 0.000 0.997 211 R CB -0.758 29.387 30.300 -0.259 0.000 0.870 211 R HN 0.494 nan 8.270 nan 0.000 0.465 212 E N 1.608 121.831 120.200 0.038 0.000 2.001 212 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 212 E C 1.724 178.382 176.600 0.095 0.000 0.994 212 E CA 0.844 57.293 56.400 0.081 0.000 0.815 212 E CB -0.194 29.538 29.700 0.054 0.000 0.770 212 E HN 0.256 nan 8.360 nan 0.000 0.453 213 L N 1.714 122.978 121.223 0.067 0.000 2.700 213 L HA -0.088 4.251 4.340 -0.000 0.000 0.240 213 L C 1.710 178.631 176.870 0.085 0.000 1.162 213 L CA 1.152 56.032 54.840 0.067 0.000 0.874 213 L CB -0.343 41.745 42.059 0.048 0.000 1.001 213 L HN 0.173 nan 8.230 nan 0.000 0.447 214 E N -0.465 119.802 120.200 0.110 0.000 2.290 214 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 214 E C 1.805 178.565 176.600 0.267 0.000 0.948 214 E CA 0.190 56.676 56.400 0.144 0.000 0.895 214 E CB 0.548 30.293 29.700 0.075 0.000 0.865 214 E HN 0.350 nan 8.360 nan 0.000 0.486 215 K N 0.618 121.219 120.400 0.336 0.000 2.009 215 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 215 K C 2.235 178.914 176.600 0.131 0.000 1.049 215 K CA 1.926 58.408 56.287 0.324 0.000 0.929 215 K CB -0.365 32.282 32.500 0.245 0.000 0.714 215 K HN 0.065 nan 8.250 nan 0.000 0.440 216 V N 0.166 120.146 119.914 0.111 0.000 2.250 216 V HA -0.267 3.853 4.120 -0.000 0.000 0.253 216 V C 1.399 177.542 176.094 0.082 0.000 1.065 216 V CA 2.105 64.452 62.300 0.077 0.000 1.039 216 V CB -1.969 29.897 31.823 0.071 0.000 0.647 216 V HN 0.481 nan 8.190 nan 0.000 0.446 217 T N -1.112 113.506 114.554 0.107 0.000 3.185 217 T HA 0.602 4.952 4.350 -0.000 0.000 0.287 217 T C 0.577 175.363 174.700 0.143 0.000 1.051 217 T CA 0.502 62.676 62.100 0.124 0.000 1.051 217 T CB -0.331 68.616 68.868 0.132 0.000 1.034 217 T HN 1.880 nan 8.240 nan 0.000 0.685 218 G N 3.271 112.145 108.800 0.123 0.000 2.713 218 G HA2 0.091 4.051 3.960 -0.000 0.000 0.215 218 G HA3 0.091 4.051 3.960 -0.000 0.000 0.215 218 G C -0.054 174.844 174.900 -0.004 0.000 1.265 218 G CA -0.017 45.149 45.100 0.110 0.000 1.204 218 G HN 1.365 nan 8.290 nan 0.000 0.545 219 T N -1.445 113.020 114.554 -0.149 0.000 2.676 219 T HA 0.695 5.045 4.350 -0.000 0.000 0.269 219 T C -0.060 174.323 174.700 -0.528 0.000 0.952 219 T CA 0.437 62.375 62.100 -0.270 0.000 1.040 219 T CB 1.776 70.474 68.868 -0.283 0.000 1.352 219 T HN 1.182 nan 8.240 nan 0.000 0.554 220 Q N -0.276 119.210 119.800 -0.523 0.000 2.226 220 Q HA 0.617 4.957 4.340 -0.000 0.000 0.256 220 Q C -1.781 173.769 176.000 -0.750 0.000 0.962 220 Q CA -0.887 54.598 55.803 -0.530 0.000 0.887 220 Q CB 0.977 29.603 28.738 -0.186 0.000 1.282 220 Q HN 0.620 nan 8.270 nan 0.000 0.449 221 F N 1.973 121.912 119.950 -0.018 0.000 2.508 221 F HA 0.544 5.071 4.527 -0.000 0.000 0.325 221 F C -2.012 173.777 175.800 -0.017 0.000 1.090 221 F CA -2.429 55.557 58.000 -0.023 0.000 0.945 221 F CB 1.309 40.292 39.000 -0.028 0.000 1.156 221 F HN 0.503 nan 8.300 nan 0.000 0.463 222 P HA 0.115 nan 4.420 nan 0.000 0.278 222 P C 0.051 177.394 177.300 0.071 0.000 1.238 222 P CA -0.296 62.848 63.100 0.073 0.000 0.794 222 P CB 1.323 33.048 31.700 0.042 0.000 0.955 223 E N 2.028 122.257 120.200 0.047 0.000 2.072 223 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 223 E C 0.497 177.109 176.600 0.020 0.000 0.982 223 E CA 0.838 57.258 56.400 0.033 0.000 0.803 223 E CB -0.716 28.999 29.700 0.025 0.000 0.755 223 E HN 0.464 nan 8.360 nan 0.000 0.453 224 A N 3.462 126.292 122.820 0.017 0.000 2.394 224 A HA 0.474 4.794 4.320 -0.000 0.000 0.333 224 A C -2.121 175.468 177.584 0.008 0.000 1.397 224 A CA -1.306 50.736 52.037 0.009 0.000 0.884 224 A CB 0.356 19.360 19.000 0.006 0.000 1.147 224 A HN 0.124 nan 8.150 nan 0.000 0.505 225 P HA 0.634 nan 4.420 nan 0.000 0.312 225 P C -0.579 176.719 177.300 -0.002 0.000 1.308 225 P CA -0.542 62.563 63.100 0.009 0.000 0.743 225 P CB 0.748 32.455 31.700 0.013 0.000 1.364 226 L N -0.543 120.682 121.223 0.004 0.000 2.313 226 L HA 0.523 4.863 4.340 -0.000 0.000 0.268 226 L C -2.255 174.638 176.870 0.038 0.000 1.010 226 L CA -2.048 52.789 54.840 -0.004 0.000 0.814 226 L CB 1.317 43.367 42.059 -0.015 0.000 1.304 226 L HN 0.274 nan 8.230 nan 0.000 0.441 227 P HA 0.115 nan 4.420 nan 0.000 0.271 227 P C -1.173 176.230 177.300 0.170 0.000 1.218 227 P CA -0.466 62.696 63.100 0.103 0.000 0.780 227 P CB 0.402 32.177 31.700 0.126 0.000 0.901 228 V N 1.394 121.353 119.914 0.076 0.000 2.557 228 V HA 0.115 4.235 4.120 -0.000 0.000 0.301 228 V C -1.912 174.200 176.094 0.030 0.000 1.026 228 V CA -1.352 60.967 62.300 0.032 0.000 1.137 228 V CB -0.688 31.104 31.823 -0.053 0.000 0.917 228 V HN 0.505 nan 8.190 nan 0.000 0.484 229 P HA 0.229 nan 4.420 nan 0.000 0.274 229 P C 0.456 177.637 177.300 -0.199 0.000 1.470 229 P CA -0.431 62.413 63.100 -0.425 0.000 1.001 229 P CB 0.412 31.733 31.700 -0.632 0.000 1.332 230 C N 4.102 123.338 119.300 -0.107 0.000 2.812 230 C HA 0.301 4.760 4.460 -0.000 0.000 0.395 230 C C 0.478 175.479 174.990 0.018 0.000 1.256 230 C CA 0.198 59.214 59.018 -0.004 0.000 1.962 230 C CB -1.513 26.248 27.740 0.036 0.000 2.701 230 C HN 0.968 nan 8.230 nan 0.000 0.702 231 N N 0.759 119.488 118.700 0.048 0.000 5.280 231 N HA 0.160 4.899 4.740 -0.000 0.000 0.203 231 N C -3.081 172.443 175.510 0.023 0.000 1.130 231 N CA -0.345 52.742 53.050 0.061 0.000 0.727 231 N CB -0.098 38.408 38.487 0.033 0.000 1.637 231 N HN 0.386 nan 8.380 nan 0.000 0.485 232 P HA 0.126 nan 4.420 nan 0.000 0.197 232 P C 0.039 177.438 177.300 0.164 0.000 1.031 232 P CA 0.814 63.923 63.100 0.015 0.000 0.994 232 P CB 0.222 31.886 31.700 -0.061 0.000 0.776 233 N N -0.615 118.168 118.700 0.137 0.000 2.392 233 N HA -0.024 4.716 4.740 -0.000 0.000 0.177 233 N C 0.395 175.987 175.510 0.136 0.000 1.066 233 N CA 0.175 53.344 53.050 0.198 0.000 0.895 233 N CB -0.602 37.936 38.487 0.085 0.000 0.988 233 N HN -0.135 nan 8.380 nan 0.000 0.457 234 D N 1.369 121.807 120.400 0.063 0.000 2.404 234 D HA 0.019 4.659 4.640 -0.000 0.000 0.256 234 D C -0.122 176.172 176.300 -0.010 0.000 1.189 234 D CA 0.276 54.285 54.000 0.016 0.000 0.965 234 D CB -0.027 40.770 40.800 -0.006 0.000 0.901 234 D HN 0.185 nan 8.370 nan 0.000 0.517 235 V N -2.326 117.580 119.914 -0.013 0.000 3.126 235 V HA 0.462 4.582 4.120 -0.000 0.000 0.314 235 V C 0.241 176.230 176.094 -0.175 0.000 1.138 235 V CA -1.314 60.899 62.300 -0.145 0.000 1.034 235 V CB 1.737 33.383 31.823 -0.295 0.000 1.075 235 V HN -0.098 nan 8.190 nan 0.000 0.442 236 S N 0.024 115.568 115.700 -0.261 0.000 2.586 236 S HA 0.403 4.873 4.470 -0.000 0.000 0.274 236 S C -0.496 173.811 174.600 -0.487 0.000 1.281 236 S CA -0.368 57.701 58.200 -0.217 0.000 1.035 236 S CB 0.184 63.279 63.200 -0.174 0.000 0.962 236 S HN 0.824 nan 8.310 nan 0.000 0.512 237 H N 2.516 121.422 119.070 -0.273 0.000 2.866 237 H HA 0.319 4.874 4.556 -0.000 0.000 0.287 237 H C 0.672 175.644 175.328 -0.593 0.000 1.106 237 H CA -0.532 55.264 56.048 -0.420 0.000 1.396 237 H CB 0.653 30.346 29.762 -0.115 0.000 1.469 237 H HN 0.821 nan 8.280 nan 0.000 0.500 238 G N 1.182 109.300 108.800 -1.137 0.000 2.569 238 G HA2 0.239 4.198 3.960 -0.000 0.000 0.249 238 G HA3 0.239 4.198 3.960 -0.000 0.000 0.249 238 G C -0.986 173.373 174.900 -0.900 0.000 1.216 238 G CA -0.097 44.285 45.100 -1.197 0.000 0.845 238 G HN 0.504 nan 8.290 nan 0.000 0.568 239 Y N 0.077 120.281 120.300 -0.160 0.000 2.359 239 Y HA 0.297 4.847 4.550 -0.000 0.000 0.336 239 Y C -0.175 175.807 175.900 0.137 0.000 1.098 239 Y CA -0.707 57.432 58.100 0.066 0.000 1.272 239 Y CB 1.809 40.294 38.460 0.041 0.000 1.112 239 Y HN 0.367 nan 8.280 nan 0.000 0.481 240 V N 1.931 122.065 119.914 0.368 0.000 2.439 240 V HA 0.411 4.530 4.120 -0.000 0.000 0.282 240 V C 0.248 176.485 176.094 0.237 0.000 1.039 240 V CA -0.480 61.962 62.300 0.236 0.000 0.913 240 V CB 1.654 33.542 31.823 0.107 0.000 0.983 240 V HN 0.667 nan 8.190 nan 0.000 0.460 241 T N 3.862 118.504 114.554 0.147 0.000 2.801 241 T HA 0.274 4.624 4.350 -0.000 0.000 0.306 241 T C 0.966 175.723 174.700 0.094 0.000 1.020 241 T CA -0.264 61.910 62.100 0.123 0.000 0.948 241 T CB 1.183 70.101 68.868 0.082 0.000 0.962 241 T HN 0.663 nan 8.240 nan 0.000 0.465 242 V N 1.578 121.559 119.914 0.111 0.000 2.725 242 V HA 0.423 4.543 4.120 -0.000 0.000 0.247 242 V C 0.827 176.948 176.094 0.044 0.000 1.058 242 V CA 0.784 63.135 62.300 0.084 0.000 1.080 242 V CB -0.247 31.645 31.823 0.115 0.000 0.713 242 V HN 0.529 nan 8.190 nan 0.000 0.465 243 K N -0.634 119.789 120.400 0.038 0.000 2.480 243 K HA 0.447 4.766 4.320 -0.000 0.000 0.258 243 K C -2.346 174.266 176.600 0.020 0.000 0.990 243 K CA -2.002 54.295 56.287 0.017 0.000 0.857 243 K CB 2.452 34.951 32.500 -0.000 0.000 1.384 243 K HN -0.167 nan 8.250 nan 0.000 0.446 244 P HA -0.221 nan 4.420 nan 0.000 0.212 244 P C 0.943 178.254 177.300 0.018 0.000 0.886 244 P CA 1.758 64.866 63.100 0.013 0.000 1.017 244 P CB -0.124 31.580 31.700 0.006 0.000 0.686 245 G N -1.176 107.632 108.800 0.013 0.000 2.527 245 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 245 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 245 G C 0.436 175.353 174.900 0.028 0.000 1.117 245 G CA 0.439 45.550 45.100 0.018 0.000 0.759 245 G HN 0.263 nan 8.290 nan 0.000 0.556 246 I N 0.474 121.062 120.570 0.029 0.000 2.354 246 I HA 0.442 4.612 4.170 -0.000 0.000 0.292 246 I C 0.132 176.298 176.117 0.083 0.000 0.989 246 I CA -0.884 60.443 61.300 0.045 0.000 1.188 246 I CB 1.713 39.721 38.000 0.014 0.000 1.342 246 I HN -0.079 nan 8.210 nan 0.000 0.457 247 R N 7.262 127.834 120.500 0.121 0.000 2.628 247 R HA 0.603 4.943 4.340 -0.000 0.000 0.288 247 R C -2.236 174.207 176.300 0.238 0.000 0.980 247 R CA -0.749 55.460 56.100 0.182 0.000 0.891 247 R CB 1.689 32.098 30.300 0.182 0.000 1.188 247 R HN 0.671 nan 8.270 nan 0.000 0.450 248 L N 4.432 125.838 121.223 0.306 0.000 2.276 248 L HA 0.341 4.681 4.340 -0.000 0.000 0.286 248 L C 0.081 177.181 176.870 0.382 0.000 1.024 248 L CA -0.829 54.200 54.840 0.315 0.000 0.826 248 L CB 1.052 43.270 42.059 0.266 0.000 1.211 248 L HN 0.730 nan 8.230 nan 0.000 0.422 249 H N 3.856 123.023 119.070 0.162 0.000 2.551 249 H HA 0.628 5.184 4.556 -0.000 0.000 0.358 249 H C -0.668 174.655 175.328 -0.007 0.000 1.151 249 H CA -0.464 55.495 56.048 -0.149 0.000 1.374 249 H CB 0.977 30.560 29.762 -0.298 0.000 1.473 249 H HN 0.371 nan 8.280 nan 0.000 0.574 250 F N 1.004 120.318 119.950 -1.061 0.000 3.262 250 F HA 0.718 5.245 4.527 -0.000 0.000 0.327 250 F C -1.910 173.260 175.800 -1.050 0.000 1.206 250 F CA -1.025 56.421 58.000 -0.924 0.000 0.930 250 F CB 0.350 39.151 39.000 -0.332 0.000 1.513 250 F HN 0.414 nan 8.300 nan 0.000 0.519 251 V N -0.040 119.633 119.914 -0.401 0.000 3.049 251 V HA 0.614 4.733 4.120 -0.000 0.000 0.309 251 V C -1.370 174.674 176.094 -0.084 0.000 1.148 251 V CA -0.723 61.219 62.300 -0.596 0.000 0.990 251 V CB 1.810 33.084 31.823 -0.916 0.000 1.039 251 V HN 0.847 nan 8.190 nan 0.000 0.430 252 E N 1.859 121.959 120.200 -0.168 0.000 2.317 252 E HA 0.806 5.156 4.350 -0.000 0.000 0.270 252 E C -1.597 174.958 176.600 -0.074 0.000 0.885 252 E CA -0.730 55.659 56.400 -0.018 0.000 0.760 252 E CB 2.164 31.906 29.700 0.069 0.000 1.227 252 E HN 0.632 nan 8.360 nan 0.000 0.434 253 M N 2.131 121.707 119.600 -0.038 0.000 2.373 253 M HA 0.383 4.863 4.480 -0.000 0.000 0.290 253 M C -0.471 175.821 176.300 -0.015 0.000 1.143 253 M CA -0.097 55.181 55.300 -0.035 0.000 0.949 253 M CB 1.843 34.423 32.600 -0.035 0.000 1.756 253 M HN 0.793 nan 8.290 nan 0.000 0.494 254 G N 1.992 110.782 108.800 -0.017 0.000 2.855 254 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.352 254 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.352 254 G C -0.876 174.010 174.900 -0.024 0.000 1.415 254 G CA -0.184 44.907 45.100 -0.016 0.000 0.871 254 G HN 0.765 nan 8.290 nan 0.000 0.543 255 S N -0.330 115.345 115.700 -0.042 0.000 2.509 255 S HA 0.702 5.172 4.470 -0.000 0.000 0.297 255 S C 1.246 175.803 174.600 -0.072 0.000 1.118 255 S CA 0.824 58.991 58.200 -0.055 0.000 1.074 255 S CB 0.730 63.891 63.200 -0.066 0.000 1.038 255 S HN 2.224 nan 8.310 nan 0.000 0.498 256 G N 4.252 113.018 108.800 -0.057 0.000 3.365 256 G HA2 0.058 4.018 3.960 -0.000 0.000 0.238 256 G HA3 0.058 4.018 3.960 -0.000 0.000 0.238 256 G C -2.636 172.196 174.900 -0.113 0.000 1.264 256 G CA -0.598 44.472 45.100 -0.050 0.000 0.876 256 G HN 0.550 nan 8.290 nan 0.000 0.610 257 P HA 0.431 nan 4.420 nan 0.000 0.274 257 P C -0.257 177.111 177.300 0.112 0.000 1.246 257 P CA -0.068 63.060 63.100 0.047 0.000 0.795 257 P CB 0.710 32.457 31.700 0.078 0.000 1.006 258 A N 1.551 124.375 122.820 0.007 0.000 2.310 258 A HA 0.641 4.961 4.320 -0.000 0.000 0.299 258 A C -0.643 176.855 177.584 -0.144 0.000 1.147 258 A CA -0.309 51.690 52.037 -0.063 0.000 0.818 258 A CB -0.472 18.456 19.000 -0.120 0.000 1.096 258 A HN 0.533 nan 8.150 nan 0.000 0.495 259 L N 0.406 121.507 121.223 -0.203 0.000 2.491 259 L HA 0.553 4.893 4.340 -0.000 0.000 0.267 259 L C -0.852 175.804 176.870 -0.358 0.000 0.971 259 L CA -0.629 54.023 54.840 -0.314 0.000 0.857 259 L CB 0.503 42.370 42.059 -0.320 0.000 1.226 259 L HN 0.468 nan 8.230 nan 0.000 0.408 260 C N 3.492 122.502 119.300 -0.483 0.000 2.514 260 C HA 0.600 5.060 4.460 -0.000 0.000 0.392 260 C C 0.602 175.364 174.990 -0.380 0.000 1.294 260 C CA -0.771 57.996 59.018 -0.419 0.000 1.957 260 C CB -0.007 27.464 27.740 -0.448 0.000 2.541 260 C HN 0.732 nan 8.230 nan 0.000 0.569 261 L N 3.072 124.014 121.223 -0.469 0.000 2.264 261 L HA 0.335 4.675 4.340 -0.000 0.000 0.287 261 L C -0.307 176.329 176.870 -0.390 0.000 1.039 261 L CA -0.015 54.325 54.840 -0.833 0.000 0.829 261 L CB 0.044 41.153 42.059 -1.582 0.000 1.211 261 L HN 0.786 nan 8.230 nan 0.000 0.427 262 C N 1.687 121.013 119.300 0.045 0.000 2.307 262 C HA 0.451 4.911 4.460 -0.000 0.000 0.340 262 C C 0.613 176.086 174.990 0.806 0.000 1.275 262 C CA -1.009 58.258 59.018 0.416 0.000 1.811 262 C CB -0.470 27.452 27.740 0.303 0.000 2.372 262 C HN 0.829 nan 8.230 nan 0.000 0.531 263 H N 0.776 120.169 119.070 0.538 0.000 2.509 263 H HA 0.746 5.302 4.556 -0.000 0.000 0.360 263 H C 0.540 175.911 175.328 0.072 0.000 1.398 263 H CA -0.115 56.085 56.048 0.253 0.000 1.429 263 H CB 0.683 30.462 29.762 0.028 0.000 1.611 263 H HN 0.688 nan 8.280 nan 0.000 0.606 264 G N -0.649 108.133 108.800 -0.031 0.000 3.119 264 G HA2 0.334 4.293 3.960 -0.000 0.000 0.206 264 G HA3 0.334 4.293 3.960 -0.000 0.000 0.206 264 G C -1.632 173.278 174.900 0.016 0.000 1.313 264 G CA -1.083 44.009 45.100 -0.013 0.000 1.010 264 G HN 0.600 nan 8.290 nan 0.000 0.578 265 F N 1.785 121.885 119.950 0.250 0.000 2.420 265 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 265 F C -2.026 174.079 175.800 0.508 0.000 1.113 265 F CA -2.372 55.873 58.000 0.408 0.000 1.059 265 F CB 2.637 41.918 39.000 0.469 0.000 1.128 265 F HN 0.093 nan 8.300 nan 0.000 0.475 266 P HA 0.314 nan 4.420 nan 0.000 0.224 266 P C -1.612 175.854 177.300 0.277 0.000 1.784 266 P CA -0.171 62.578 63.100 -0.586 0.000 1.198 266 P CB 1.023 31.854 31.700 -1.448 0.000 1.654 267 E N 0.901 121.409 120.200 0.513 0.000 2.573 267 E HA 0.743 5.093 4.350 -0.000 0.000 0.218 267 E C -0.266 176.772 176.600 0.730 0.000 0.777 267 E CA -0.963 55.852 56.400 0.693 0.000 0.970 267 E CB 0.984 30.945 29.700 0.435 0.000 1.666 267 E HN 0.341 nan 8.360 nan 0.000 0.384 268 S N -0.795 115.099 115.700 0.323 0.000 2.643 268 S HA 0.099 4.569 4.470 -0.000 0.000 0.270 268 S C 0.057 174.323 174.600 -0.557 0.000 1.166 268 S CA -0.745 57.194 58.200 -0.434 0.000 0.815 268 S CB 0.152 63.179 63.200 -0.288 0.000 1.139 268 S HN 0.895 nan 8.310 nan 0.000 0.472 269 W N 0.959 122.039 121.300 -0.366 0.000 2.325 269 W HA -0.147 4.513 4.660 -0.000 0.000 0.299 269 W C 1.212 177.776 176.519 0.076 0.000 1.215 269 W CA 1.229 58.577 57.345 0.005 0.000 1.244 269 W CB -1.075 28.391 29.460 0.010 0.000 1.140 269 W HN 0.659 nan 8.180 nan 0.000 0.523 270 F N 3.185 122.217 119.950 -1.529 0.000 2.287 270 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 270 F C 2.354 177.693 175.800 -0.770 0.000 1.069 270 F CA 1.557 58.538 58.000 -1.698 0.000 1.372 270 F CB -0.783 36.930 39.000 -2.145 0.000 1.056 270 F HN -0.169 nan 8.300 nan 0.000 0.523 271 S N -0.742 114.558 115.700 -0.667 0.000 2.368 271 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 271 S C 1.268 175.569 174.600 -0.498 0.000 1.030 271 S CA 1.573 59.399 58.200 -0.624 0.000 0.999 271 S CB -0.710 62.124 63.200 -0.609 0.000 0.844 271 S HN 0.639 nan 8.310 nan 0.000 0.459 272 W N 3.307 124.507 121.300 -0.167 0.000 3.216 272 W HA 0.140 4.800 4.660 -0.000 0.000 0.247 272 W C 1.869 178.344 176.519 -0.074 0.000 1.326 272 W CA -0.390 56.918 57.345 -0.062 0.000 1.564 272 W CB -0.508 28.965 29.460 0.022 0.000 1.113 272 W HN 0.304 nan 8.180 nan 0.000 0.722 273 R N -0.127 120.318 120.500 -0.092 0.000 2.226 273 R HA -0.259 4.081 4.340 -0.000 0.000 0.246 273 R C 0.722 176.879 176.300 -0.240 0.000 1.161 273 R CA 1.642 57.616 56.100 -0.211 0.000 0.997 273 R CB -1.056 28.864 30.300 -0.633 0.000 0.870 273 R HN 0.296 nan 8.270 nan 0.000 0.465 274 Y N 0.003 120.288 120.300 -0.026 0.000 2.509 274 Y HA 0.133 4.683 4.550 -0.000 0.000 0.270 274 Y C 2.191 178.122 175.900 0.052 0.000 1.103 274 Y CA 0.217 58.315 58.100 -0.002 0.000 1.278 274 Y CB 0.413 38.848 38.460 -0.042 0.000 1.087 274 Y HN 0.057 nan 8.280 nan 0.000 0.542 275 Q N 0.164 120.114 119.800 0.250 0.000 2.165 275 Q HA 0.019 4.359 4.340 -0.000 0.000 0.197 275 Q C 2.100 178.178 176.000 0.130 0.000 0.952 275 Q CA 0.944 56.867 55.803 0.201 0.000 0.848 275 Q CB -0.250 28.653 28.738 0.274 0.000 0.931 275 Q HN 0.426 nan 8.270 nan 0.000 0.470 276 I N 1.834 122.484 120.570 0.134 0.000 2.074 276 I HA -0.331 3.839 4.170 -0.000 0.000 0.238 276 I C -0.801 175.351 176.117 0.058 0.000 1.037 276 I CA 1.845 63.190 61.300 0.075 0.000 1.301 276 I CB -1.448 36.615 38.000 0.105 0.000 1.016 276 I HN 0.239 nan 8.210 nan 0.000 0.400 277 P HA -0.242 nan 4.420 nan 0.000 0.210 277 P C 1.486 178.828 177.300 0.070 0.000 1.189 277 P CA 2.504 65.640 63.100 0.061 0.000 0.920 277 P CB -0.218 31.523 31.700 0.069 0.000 0.782 278 A N 0.420 123.288 122.820 0.081 0.000 1.896 278 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 278 A C 2.571 180.209 177.584 0.090 0.000 1.206 278 A CA 2.154 54.240 52.037 0.082 0.000 0.647 278 A CB -1.814 17.239 19.000 0.088 0.000 0.828 278 A HN 0.138 nan 8.150 nan 0.000 0.455 279 L N -1.300 119.974 121.223 0.084 0.000 2.042 279 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 279 L C 3.134 180.095 176.870 0.151 0.000 1.076 279 L CA 1.399 56.291 54.840 0.088 0.000 0.749 279 L CB -0.761 41.306 42.059 0.014 0.000 0.893 279 L HN 0.546 nan 8.230 nan 0.000 0.432 280 A N -0.261 122.619 122.820 0.099 0.000 1.845 280 A HA -0.271 4.049 4.320 -0.000 0.000 0.215 280 A C 2.058 179.688 177.584 0.077 0.000 1.195 280 A CA 1.592 53.682 52.037 0.088 0.000 0.616 280 A CB -0.655 18.370 19.000 0.042 0.000 0.832 280 A HN 0.465 nan 8.150 nan 0.000 0.443 281 Q N -0.485 119.352 119.800 0.062 0.000 2.368 281 Q HA -0.035 4.305 4.340 -0.000 0.000 0.210 281 Q C 1.788 177.817 176.000 0.049 0.000 0.982 281 Q CA 1.019 56.848 55.803 0.043 0.000 0.884 281 Q CB -0.409 28.358 28.738 0.048 0.000 0.933 281 Q HN 0.672 nan 8.270 nan 0.000 0.460 282 A N 0.185 123.070 122.820 0.108 0.000 2.259 282 A HA 0.347 4.667 4.320 -0.000 0.000 0.208 282 A C 1.183 178.814 177.584 0.078 0.000 1.201 282 A CA 0.561 52.687 52.037 0.149 0.000 0.824 282 A CB -0.382 18.769 19.000 0.252 0.000 0.838 282 A HN 0.390 nan 8.150 nan 0.000 0.485 283 G N -1.675 107.096 108.800 -0.049 0.000 2.255 283 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.239 283 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.239 283 G C -0.329 174.173 174.900 -0.663 0.000 1.083 283 G CA 0.015 44.920 45.100 -0.325 0.000 0.826 283 G HN 0.389 nan 8.290 nan 0.000 0.493 284 F N -1.483 118.435 119.950 -0.052 0.000 2.626 284 F HA 0.637 5.164 4.527 -0.000 0.000 0.311 284 F C 0.405 176.163 175.800 -0.070 0.000 1.088 284 F CA -1.170 56.789 58.000 -0.068 0.000 0.949 284 F CB 1.743 40.697 39.000 -0.077 0.000 1.322 284 F HN 0.057 nan 8.300 nan 0.000 0.461 285 R N 2.708 123.292 120.500 0.139 0.000 2.280 285 R HA 0.563 4.903 4.340 -0.000 0.000 0.326 285 R C -1.240 175.060 176.300 0.001 0.000 1.080 285 R CA -0.396 55.724 56.100 0.034 0.000 1.002 285 R CB 0.701 30.998 30.300 -0.004 0.000 1.136 285 R HN 0.620 nan 8.270 nan 0.000 0.509 286 V N 3.357 123.259 119.914 -0.019 0.000 2.686 286 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 286 V C -0.580 175.453 176.094 -0.103 0.000 1.057 286 V CA -0.543 61.705 62.300 -0.086 0.000 1.012 286 V CB 1.339 33.112 31.823 -0.082 0.000 1.006 286 V HN 0.723 nan 8.190 nan 0.000 0.477 287 L N 5.567 126.686 121.223 -0.173 0.000 2.529 287 L HA 0.582 4.922 4.340 -0.000 0.000 0.246 287 L C 0.800 177.564 176.870 -0.177 0.000 1.394 287 L CA 0.084 54.819 54.840 -0.174 0.000 0.906 287 L CB 0.847 42.712 42.059 -0.324 0.000 1.170 287 L HN 0.947 nan 8.230 nan 0.000 0.501 288 A N 2.960 125.709 122.820 -0.120 0.000 2.618 288 A HA 0.289 4.608 4.320 -0.000 0.000 0.293 288 A C 0.488 178.080 177.584 0.013 0.000 1.413 288 A CA 0.108 52.115 52.037 -0.049 0.000 1.074 288 A CB -0.904 18.189 19.000 0.156 0.000 1.087 288 A HN 0.523 nan 8.150 nan 0.000 0.553 289 I N 1.153 121.719 120.570 -0.006 0.000 2.581 289 I HA 0.147 4.317 4.170 -0.000 0.000 0.288 289 I C -0.146 176.050 176.117 0.130 0.000 1.047 289 I CA -0.618 60.679 61.300 -0.006 0.000 1.374 289 I CB 0.968 38.864 38.000 -0.174 0.000 1.423 289 I HN 0.375 nan 8.210 nan 0.000 0.549 290 D N 5.929 126.403 120.400 0.124 0.000 2.380 290 D HA 0.249 4.889 4.640 -0.000 0.000 0.230 290 D C 0.056 176.551 176.300 0.326 0.000 1.154 290 D CA -0.374 53.759 54.000 0.221 0.000 0.859 290 D CB 0.686 41.740 40.800 0.424 0.000 1.045 290 D HN 0.178 nan 8.370 nan 0.000 0.495 291 M N 1.610 121.554 119.600 0.574 0.000 2.245 291 M HA -0.038 4.442 4.480 -0.000 0.000 0.335 291 M C 0.731 177.360 176.300 0.548 0.000 1.155 291 M CA 0.185 55.766 55.300 0.467 0.000 1.055 291 M CB -0.199 32.474 32.600 0.122 0.000 1.670 291 M HN 0.255 nan 8.290 nan 0.000 0.447 292 K N 1.094 121.768 120.400 0.457 0.000 2.543 292 K HA 0.078 4.397 4.320 -0.000 0.000 0.279 292 K C 1.053 178.018 176.600 0.609 0.000 1.001 292 K CA 1.327 57.832 56.287 0.364 0.000 1.088 292 K CB -0.004 32.555 32.500 0.098 0.000 0.863 292 K HN 0.840 nan 8.250 nan 0.000 0.488 293 G N 2.626 111.689 108.800 0.439 0.000 2.308 293 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 293 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 293 G C -0.631 174.367 174.900 0.164 0.000 1.032 293 G CA 0.139 45.498 45.100 0.433 0.000 0.623 293 G HN 0.562 nan 8.290 nan 0.000 0.506 294 Y N 0.975 121.378 120.300 0.173 0.000 2.403 294 Y HA 0.518 5.067 4.550 -0.000 0.000 0.323 294 Y C 1.694 177.569 175.900 -0.043 0.000 1.226 294 Y CA 0.436 58.526 58.100 -0.018 0.000 1.235 294 Y CB 0.821 39.372 38.460 0.153 0.000 1.248 294 Y HN 1.060 nan 8.280 nan 0.000 0.489 295 G N 1.515 110.261 108.800 -0.090 0.000 2.685 295 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.329 295 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.329 295 G C 0.649 175.540 174.900 -0.015 0.000 1.271 295 G CA 0.979 46.031 45.100 -0.079 0.000 1.003 295 G HN 0.692 nan 8.290 nan 0.000 0.549 296 D N 1.532 121.964 120.400 0.052 0.000 2.340 296 D HA 0.244 4.884 4.640 -0.000 0.000 0.220 296 D C 1.131 177.534 176.300 0.172 0.000 1.039 296 D CA 0.910 54.914 54.000 0.007 0.000 0.866 296 D CB 0.142 40.740 40.800 -0.337 0.000 0.913 296 D HN 0.323 nan 8.370 nan 0.000 0.523 297 S N -0.150 115.686 115.700 0.226 0.000 2.672 297 S HA 0.296 4.766 4.470 -0.000 0.000 0.276 297 S C 0.450 175.151 174.600 0.168 0.000 1.207 297 S CA -0.718 57.624 58.200 0.238 0.000 1.002 297 S CB 1.837 65.194 63.200 0.262 0.000 0.998 297 S HN -0.094 nan 8.310 nan 0.000 0.542 298 S N 1.823 117.610 115.700 0.145 0.000 2.552 298 S HA 0.179 4.649 4.470 -0.000 0.000 0.289 298 S C 0.369 175.037 174.600 0.114 0.000 1.304 298 S CA -0.266 57.995 58.200 0.102 0.000 1.063 298 S CB 0.526 63.770 63.200 0.074 0.000 0.848 298 S HN 0.676 nan 8.310 nan 0.000 0.499 299 S N 3.801 119.568 115.700 0.113 0.000 2.158 299 S HA 0.422 4.891 4.470 -0.000 0.000 0.160 299 S C -2.533 172.175 174.600 0.181 0.000 1.693 299 S CA -1.553 56.753 58.200 0.177 0.000 1.251 299 S CB -0.199 63.070 63.200 0.115 0.000 1.153 299 S HN 0.358 nan 8.310 nan 0.000 0.439 300 P HA 0.214 nan 4.420 nan 0.000 0.272 300 P C -2.133 175.292 177.300 0.209 0.000 1.248 300 P CA -0.963 62.232 63.100 0.158 0.000 0.799 300 P CB 0.188 31.951 31.700 0.105 0.000 0.997 301 P HA 0.130 nan 4.420 nan 0.000 0.252 301 P C -0.218 177.137 177.300 0.091 0.000 1.211 301 P CA 0.569 63.724 63.100 0.093 0.000 0.824 301 P CB 0.318 32.053 31.700 0.060 0.000 1.077 302 E N 0.004 120.276 120.200 0.119 0.000 2.398 302 E HA 0.059 4.409 4.350 -0.000 0.000 0.263 302 E C 1.465 178.153 176.600 0.146 0.000 1.046 302 E CA 0.044 56.504 56.400 0.099 0.000 0.908 302 E CB 0.318 30.063 29.700 0.074 0.000 0.963 302 E HN -0.013 nan 8.360 nan 0.000 0.431 303 I N 1.672 122.286 120.570 0.073 0.000 2.400 303 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 303 I C 1.398 177.570 176.117 0.092 0.000 1.109 303 I CA 0.859 62.188 61.300 0.049 0.000 1.425 303 I CB -0.786 37.214 38.000 0.001 0.000 1.094 303 I HN 0.510 nan 8.210 nan 0.000 0.425 304 E N 1.373 121.600 120.200 0.044 0.000 2.130 304 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 304 E C 1.852 178.436 176.600 -0.026 0.000 0.998 304 E CA 1.178 57.576 56.400 -0.004 0.000 0.806 304 E CB -0.369 29.320 29.700 -0.018 0.000 0.738 304 E HN 0.329 nan 8.360 nan 0.000 0.459 305 E N -0.424 119.791 120.200 0.025 0.000 2.333 305 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 305 E C 0.334 176.725 176.600 -0.348 0.000 1.010 305 E CA 0.965 57.295 56.400 -0.117 0.000 0.841 305 E CB -0.052 29.604 29.700 -0.074 0.000 0.757 305 E HN 0.477 nan 8.360 nan 0.000 0.508 306 Y N -1.291 118.854 120.300 -0.259 0.000 2.584 306 Y HA 0.496 5.046 4.550 -0.000 0.000 0.254 306 Y C 0.447 176.042 175.900 -0.508 0.000 1.177 306 Y CA -0.185 57.642 58.100 -0.455 0.000 1.216 306 Y CB -0.210 37.941 38.460 -0.516 0.000 1.172 306 Y HN -0.052 nan 8.280 nan 0.000 0.529 307 A N 0.665 123.337 122.820 -0.247 0.000 2.565 307 A HA -0.017 4.303 4.320 -0.000 0.000 0.237 307 A C 1.710 179.054 177.584 -0.400 0.000 1.053 307 A CA -0.087 51.786 52.037 -0.272 0.000 0.755 307 A CB 0.185 19.027 19.000 -0.263 0.000 0.980 307 A HN 0.536 nan 8.150 nan 0.000 0.506 308 M N 1.619 121.020 119.600 -0.332 0.000 2.149 308 M HA -0.167 4.312 4.480 -0.000 0.000 0.261 308 M C 1.726 177.641 176.300 -0.643 0.000 1.064 308 M CA 2.391 57.511 55.300 -0.300 0.000 1.102 308 M CB -0.486 32.158 32.600 0.074 0.000 1.369 308 M HN 0.949 nan 8.290 nan 0.000 0.408 309 E N -0.234 119.253 120.200 -1.188 0.000 2.097 309 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 309 E C 2.019 178.016 176.600 -1.004 0.000 1.000 309 E CA 1.673 56.768 56.400 -2.176 0.000 0.804 309 E CB -0.320 28.169 29.700 -2.019 0.000 0.740 309 E HN 0.651 nan 8.360 nan 0.000 0.454 310 L N 0.341 121.187 121.223 -0.628 0.000 2.007 310 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 310 L C 2.586 179.278 176.870 -0.297 0.000 1.073 310 L CA 0.973 55.584 54.840 -0.382 0.000 0.744 310 L CB -0.289 41.574 42.059 -0.326 0.000 0.898 310 L HN 0.274 nan 8.230 nan 0.000 0.435 311 L N -0.756 120.264 121.223 -0.338 0.000 2.103 311 L HA -0.360 3.980 4.340 -0.000 0.000 0.215 311 L C 2.694 179.498 176.870 -0.110 0.000 1.080 311 L CA 1.540 56.230 54.840 -0.249 0.000 0.764 311 L CB -0.957 40.882 42.059 -0.366 0.000 0.890 311 L HN 0.422 nan 8.230 nan 0.000 0.435 312 C N -0.720 118.529 119.300 -0.086 0.000 2.466 312 C HA -0.132 4.328 4.460 -0.000 0.000 0.278 312 C C 2.943 177.991 174.990 0.097 0.000 1.288 312 C CA 0.697 59.772 59.018 0.096 0.000 1.722 312 C CB -0.556 27.370 27.740 0.310 0.000 2.017 312 C HN 0.483 nan 8.230 nan 0.000 0.488 313 K N 1.181 121.603 120.400 0.037 0.000 1.991 313 K HA -0.214 4.105 4.320 -0.000 0.000 0.212 313 K C 1.912 178.467 176.600 -0.075 0.000 1.049 313 K CA 1.868 58.145 56.287 -0.017 0.000 0.932 313 K CB -0.265 32.212 32.500 -0.039 0.000 0.717 313 K HN 0.555 nan 8.250 nan 0.000 0.441 314 E N 0.177 120.341 120.200 -0.060 0.000 2.058 314 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 314 E C 2.064 178.684 176.600 0.033 0.000 0.997 314 E CA 1.396 57.784 56.400 -0.019 0.000 0.801 314 E CB -0.205 29.472 29.700 -0.038 0.000 0.746 314 E HN 0.251 nan 8.360 nan 0.000 0.450 315 M N 0.854 120.463 119.600 0.015 0.000 2.108 315 M HA -0.165 4.314 4.480 -0.000 0.000 0.257 315 M C 2.195 178.571 176.300 0.126 0.000 1.071 315 M CA 1.260 56.598 55.300 0.063 0.000 1.093 315 M CB -0.485 32.137 32.600 0.036 0.000 1.345 315 M HN -0.020 nan 8.290 nan 0.000 0.403 316 V N -0.834 119.068 119.914 -0.020 0.000 2.307 316 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 316 V C 2.184 178.274 176.094 -0.007 0.000 1.045 316 V CA 2.221 64.465 62.300 -0.094 0.000 1.024 316 V CB -0.768 30.780 31.823 -0.459 0.000 0.651 316 V HN 0.513 nan 8.190 nan 0.000 0.449 317 T N 0.137 114.688 114.554 -0.004 0.000 2.607 317 T HA -0.292 4.058 4.350 -0.000 0.000 0.267 317 T C 1.651 176.401 174.700 0.082 0.000 1.049 317 T CA 2.330 64.444 62.100 0.023 0.000 1.162 317 T CB -0.553 68.333 68.868 0.029 0.000 0.863 317 T HN 0.506 nan 8.240 nan 0.000 0.424 318 F N 1.316 121.254 119.950 -0.021 0.000 2.167 318 F HA -0.202 4.324 4.527 -0.000 0.000 0.301 318 F C 1.852 177.625 175.800 -0.045 0.000 1.066 318 F CA 1.191 59.181 58.000 -0.016 0.000 1.285 318 F CB -0.338 38.658 39.000 -0.007 0.000 1.032 318 F HN 0.120 nan 8.300 nan 0.000 0.495 319 L N -0.337 120.950 121.223 0.108 0.000 2.022 319 L HA -0.176 4.164 4.340 -0.000 0.000 0.204 319 L C 2.143 178.952 176.870 -0.102 0.000 1.076 319 L CA 1.825 56.654 54.840 -0.019 0.000 0.749 319 L CB -0.978 41.128 42.059 0.078 0.000 0.903 319 L HN 0.048 nan 8.230 nan 0.000 0.439 320 D N 0.288 120.657 120.400 -0.052 0.000 2.177 320 D HA -0.267 4.373 4.640 -0.000 0.000 0.189 320 D C 1.997 178.247 176.300 -0.084 0.000 1.002 320 D CA 1.474 55.442 54.000 -0.054 0.000 0.845 320 D CB -0.179 40.600 40.800 -0.034 0.000 0.960 320 D HN -0.022 nan 8.370 nan 0.000 0.447 321 K N 0.130 120.473 120.400 -0.094 0.000 2.052 321 K HA -0.098 4.221 4.320 -0.000 0.000 0.215 321 K C 1.860 178.367 176.600 -0.155 0.000 1.053 321 K CA 0.863 57.085 56.287 -0.108 0.000 0.934 321 K CB -0.564 31.870 32.500 -0.109 0.000 0.717 321 K HN 0.150 nan 8.250 nan 0.000 0.450 322 L N -0.587 120.476 121.223 -0.268 0.000 2.622 322 L HA 0.009 4.348 4.340 -0.000 0.000 0.233 322 L C 0.885 177.654 176.870 -0.169 0.000 1.156 322 L CA 0.583 55.257 54.840 -0.277 0.000 0.866 322 L CB -0.390 41.362 42.059 -0.511 0.000 0.980 322 L HN 0.645 nan 8.230 nan 0.000 0.448 323 G N 0.350 109.076 108.800 -0.123 0.000 2.186 323 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.266 323 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.266 323 G C 0.404 175.258 174.900 -0.077 0.000 0.982 323 G CA 0.328 45.379 45.100 -0.082 0.000 0.670 323 G HN 0.277 nan 8.290 nan 0.000 0.533 324 I N 0.817 121.328 120.570 -0.099 0.000 2.352 324 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 324 I C -0.843 175.246 176.117 -0.047 0.000 1.036 324 I CA -2.430 58.822 61.300 -0.081 0.000 1.336 324 I CB 0.822 38.754 38.000 -0.114 0.000 1.407 324 I HN -0.084 nan 8.210 nan 0.000 0.497 325 P HA 0.072 nan 4.420 nan 0.000 0.245 325 P C 0.170 177.480 177.300 0.017 0.000 1.206 325 P CA 0.584 63.682 63.100 -0.003 0.000 0.781 325 P CB 1.124 32.823 31.700 -0.002 0.000 0.994 326 Q N -1.399 118.403 119.800 0.004 0.000 2.594 326 Q HA 0.650 4.990 4.340 -0.000 0.000 0.278 326 Q C -1.989 173.990 176.000 -0.034 0.000 0.961 326 Q CA -0.707 55.109 55.803 0.022 0.000 0.844 326 Q CB 2.474 31.230 28.738 0.031 0.000 1.475 326 Q HN 0.019 nan 8.270 nan 0.000 0.389 327 A N 1.067 123.854 122.820 -0.056 0.000 2.602 327 A HA 0.771 5.090 4.320 -0.000 0.000 0.290 327 A C -1.676 175.785 177.584 -0.205 0.000 1.114 327 A CA -0.441 51.467 52.037 -0.215 0.000 0.683 327 A CB 1.669 20.390 19.000 -0.466 0.000 1.281 327 A HN 0.341 nan 8.150 nan 0.000 0.416 328 V N 0.726 120.479 119.914 -0.269 0.000 2.439 328 V HA 0.470 4.590 4.120 -0.000 0.000 0.282 328 V C -1.181 174.759 176.094 -0.256 0.000 1.039 328 V CA 0.047 62.256 62.300 -0.152 0.000 0.913 328 V CB 0.769 32.480 31.823 -0.186 0.000 0.983 328 V HN 0.616 nan 8.190 nan 0.000 0.460 329 F N 5.835 125.773 119.950 -0.019 0.000 2.375 329 F HA 0.569 5.096 4.527 -0.000 0.000 0.361 329 F C 0.218 175.962 175.800 -0.094 0.000 1.117 329 F CA -0.376 57.587 58.000 -0.062 0.000 1.037 329 F CB 1.226 40.199 39.000 -0.045 0.000 1.192 329 F HN 0.256 nan 8.300 nan 0.000 0.452 330 I N 3.745 124.333 120.570 0.031 0.000 2.354 330 I HA 0.501 4.671 4.170 -0.000 0.000 0.286 330 I C 0.343 176.464 176.117 0.007 0.000 1.007 330 I CA -0.453 60.821 61.300 -0.043 0.000 1.167 330 I CB 1.237 39.167 38.000 -0.117 0.000 1.320 330 I HN 0.622 nan 8.210 nan 0.000 0.458 331 G N 3.728 112.562 108.800 0.056 0.000 2.473 331 G HA2 0.619 4.579 3.960 -0.000 0.000 0.321 331 G HA3 0.619 4.579 3.960 -0.000 0.000 0.321 331 G C -1.713 173.385 174.900 0.330 0.000 1.200 331 G CA -0.424 44.809 45.100 0.221 0.000 0.963 331 G HN 0.716 nan 8.290 nan 0.000 0.483 332 H N -0.275 118.974 119.070 0.299 0.000 2.851 332 H HA 0.496 5.052 4.556 -0.000 0.000 0.372 332 H C 0.224 175.647 175.328 0.159 0.000 1.158 332 H CA 0.168 56.331 56.048 0.190 0.000 1.159 332 H CB 2.103 31.934 29.762 0.115 0.000 1.757 332 H HN 0.688 nan 8.280 nan 0.000 0.546 333 D N 1.716 121.811 120.400 -0.510 0.000 3.393 333 D HA -0.329 4.311 4.640 -0.000 0.000 0.178 333 D C 1.035 177.351 176.300 0.026 0.000 1.201 333 D CA 1.811 55.660 54.000 -0.250 0.000 1.086 333 D CB -0.815 39.930 40.800 -0.092 0.000 0.568 333 D HN 0.750 nan 8.370 nan 0.000 0.637 334 W N 0.498 121.807 121.300 0.015 0.000 2.321 334 W HA -0.144 4.515 4.660 -0.000 0.000 0.306 334 W C 2.758 179.381 176.519 0.174 0.000 1.217 334 W CA 2.243 59.634 57.345 0.076 0.000 1.257 334 W CB -0.726 28.657 29.460 -0.128 0.000 1.145 334 W HN 0.490 nan 8.180 nan 0.000 0.509 335 A N 0.560 123.555 122.820 0.292 0.000 1.859 335 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 335 A C 2.196 179.953 177.584 0.289 0.000 1.198 335 A CA 2.405 54.619 52.037 0.294 0.000 0.629 335 A CB -1.747 17.402 19.000 0.247 0.000 0.830 335 A HN 0.365 nan 8.150 nan 0.000 0.446 336 G N -0.543 108.388 108.800 0.219 0.000 2.547 336 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 336 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 336 G C 1.535 176.554 174.900 0.199 0.000 1.140 336 G CA 1.679 46.848 45.100 0.115 0.000 0.760 336 G HN 0.399 nan 8.290 nan 0.000 0.583 337 V N 1.010 121.138 119.914 0.358 0.000 2.233 337 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 337 V C 2.685 179.035 176.094 0.427 0.000 1.050 337 V CA 2.456 65.036 62.300 0.467 0.000 1.010 337 V CB -0.595 31.529 31.823 0.502 0.000 0.637 337 V HN 0.527 nan 8.190 nan 0.000 0.444 338 M N -0.262 119.587 119.600 0.416 0.000 2.073 338 M HA -0.222 4.257 4.480 -0.000 0.000 0.258 338 M C 2.213 178.605 176.300 0.153 0.000 1.070 338 M CA 2.258 57.749 55.300 0.318 0.000 1.103 338 M CB -0.326 32.481 32.600 0.346 0.000 1.321 338 M HN 0.225 nan 8.290 nan 0.000 0.405 339 V N -0.047 119.896 119.914 0.048 0.000 2.250 339 V HA -0.361 3.759 4.120 -0.000 0.000 0.253 339 V C 1.858 177.851 176.094 -0.168 0.000 1.065 339 V CA 2.736 64.943 62.300 -0.156 0.000 1.039 339 V CB -0.980 30.702 31.823 -0.236 0.000 0.647 339 V HN 0.701 nan 8.190 nan 0.000 0.446 340 W N -0.041 121.264 121.300 0.007 0.000 2.374 340 W HA -0.140 4.519 4.660 -0.000 0.000 0.288 340 W C 2.349 178.763 176.519 -0.176 0.000 1.218 340 W CA 1.197 58.454 57.345 -0.146 0.000 1.245 340 W CB -0.492 28.872 29.460 -0.160 0.000 1.126 340 W HN 0.306 nan 8.180 nan 0.000 0.545 341 N N -0.654 118.184 118.700 0.230 0.000 2.270 341 N HA -0.136 4.603 4.740 -0.000 0.000 0.181 341 N C 1.832 177.460 175.510 0.195 0.000 1.016 341 N CA 1.181 54.367 53.050 0.227 0.000 0.870 341 N CB -0.296 38.414 38.487 0.371 0.000 0.979 341 N HN -0.070 nan 8.380 nan 0.000 0.431 342 M N 0.737 120.405 119.600 0.113 0.000 2.067 342 M HA -0.025 4.455 4.480 -0.000 0.000 0.260 342 M C 2.281 178.621 176.300 0.067 0.000 1.069 342 M CA 1.233 56.575 55.300 0.069 0.000 1.117 342 M CB -1.311 31.093 32.600 -0.327 0.000 1.334 342 M HN 0.213 nan 8.290 nan 0.000 0.407 343 A N 0.074 122.897 122.820 0.006 0.000 1.908 343 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 343 A C 2.255 179.828 177.584 -0.020 0.000 1.181 343 A CA 1.695 53.751 52.037 0.030 0.000 0.627 343 A CB -0.999 18.034 19.000 0.055 0.000 0.818 343 A HN 0.452 nan 8.150 nan 0.000 0.445 344 L N -2.506 118.665 121.223 -0.087 0.000 2.109 344 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 344 L C 1.975 178.624 176.870 -0.369 0.000 1.086 344 L CA 1.853 56.557 54.840 -0.227 0.000 0.760 344 L CB -0.317 41.575 42.059 -0.278 0.000 0.910 344 L HN 0.337 nan 8.230 nan 0.000 0.437 345 F N -2.169 117.602 119.950 -0.299 0.000 2.656 345 F HA 0.175 4.701 4.527 -0.000 0.000 0.291 345 F C 0.116 175.542 175.800 -0.623 0.000 1.122 345 F CA 0.032 57.715 58.000 -0.528 0.000 1.427 345 F CB 0.299 38.861 39.000 -0.729 0.000 1.125 345 F HN -0.116 nan 8.300 nan 0.000 0.583 346 Y N -0.171 120.233 120.300 0.174 0.000 2.705 346 Y HA 0.285 4.835 4.550 -0.000 0.000 0.355 346 Y C -2.075 173.878 175.900 0.089 0.000 1.039 346 Y CA -2.274 55.904 58.100 0.129 0.000 1.233 346 Y CB 0.384 38.922 38.460 0.131 0.000 1.103 346 Y HN -0.129 nan 8.280 nan 0.000 0.624 347 P HA -0.115 nan 4.420 nan 0.000 0.215 347 P C 0.926 178.316 177.300 0.150 0.000 1.157 347 P CA 1.419 64.597 63.100 0.129 0.000 0.859 347 P CB 0.537 32.283 31.700 0.078 0.000 0.786 348 E N 0.022 120.313 120.200 0.152 0.000 2.065 348 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 348 E C 1.949 178.632 176.600 0.138 0.000 1.016 348 E CA 1.372 57.850 56.400 0.131 0.000 0.818 348 E CB -0.599 29.177 29.700 0.128 0.000 0.749 348 E HN 0.182 nan 8.360 nan 0.000 0.453 349 R N 0.359 120.964 120.500 0.176 0.000 2.307 349 R HA 0.092 4.432 4.340 -0.000 0.000 0.199 349 R C 0.005 176.457 176.300 0.253 0.000 1.000 349 R CA 0.228 56.439 56.100 0.184 0.000 1.023 349 R CB -0.244 30.162 30.300 0.177 0.000 0.908 349 R HN 0.079 nan 8.270 nan 0.000 0.473 350 V N 2.649 122.715 119.914 0.254 0.000 2.333 350 V HA 0.182 4.302 4.120 -0.000 0.000 0.274 350 V C 1.380 177.587 176.094 0.188 0.000 1.028 350 V CA -0.592 61.888 62.300 0.299 0.000 0.851 350 V CB 1.591 33.583 31.823 0.282 0.000 1.000 350 V HN 0.035 nan 8.190 nan 0.000 0.456 351 R N 4.626 125.209 120.500 0.138 0.000 2.073 351 R HA 0.273 4.613 4.340 -0.000 0.000 0.229 351 R C 0.540 176.896 176.300 0.094 0.000 1.120 351 R CA 1.616 57.762 56.100 0.077 0.000 0.967 351 R CB 0.062 30.373 30.300 0.018 0.000 0.862 351 R HN 0.845 nan 8.270 nan 0.000 0.436 352 A N -1.300 121.600 122.820 0.134 0.000 2.586 352 A HA 0.587 4.907 4.320 -0.000 0.000 0.290 352 A C -1.599 176.171 177.584 0.309 0.000 1.086 352 A CA -0.321 51.847 52.037 0.218 0.000 0.665 352 A CB 1.348 20.421 19.000 0.123 0.000 1.279 352 A HN 0.191 nan 8.150 nan 0.000 0.423 353 V N -2.320 117.810 119.914 0.361 0.000 2.841 353 V HA 0.976 5.096 4.120 -0.000 0.000 0.310 353 V C -0.064 175.945 176.094 -0.142 0.000 1.090 353 V CA -0.328 62.032 62.300 0.100 0.000 0.930 353 V CB 1.097 32.828 31.823 -0.154 0.000 1.014 353 V HN 2.262 nan 8.190 nan 0.000 0.425 354 A N 1.914 124.518 122.820 -0.359 0.000 2.455 354 A HA 0.921 5.241 4.320 -0.000 0.000 0.300 354 A C -0.620 176.700 177.584 -0.440 0.000 1.040 354 A CA -0.416 51.278 52.037 -0.572 0.000 0.697 354 A CB 2.088 20.700 19.000 -0.647 0.000 1.265 354 A HN 1.248 nan 8.150 nan 0.000 0.407 355 S N 1.527 117.039 115.700 -0.313 0.000 2.536 355 S HA 0.741 5.211 4.470 -0.000 0.000 0.287 355 S C -1.174 173.474 174.600 0.081 0.000 1.101 355 S CA -0.565 57.569 58.200 -0.111 0.000 0.950 355 S CB 0.711 63.911 63.200 -0.000 0.000 1.056 355 S HN 0.631 nan 8.310 nan 0.000 0.481 356 L N 4.738 126.047 121.223 0.143 0.000 2.296 356 L HA 0.471 4.811 4.340 -0.000 0.000 0.286 356 L C 0.586 177.528 176.870 0.119 0.000 1.023 356 L CA -0.572 54.366 54.840 0.164 0.000 0.812 356 L CB 1.058 43.288 42.059 0.285 0.000 1.223 356 L HN 0.956 nan 8.230 nan 0.000 0.421 357 N N 0.253 119.004 118.700 0.085 0.000 2.568 357 N HA -0.230 4.510 4.740 -0.000 0.000 0.218 357 N C 0.301 175.859 175.510 0.079 0.000 0.244 357 N CA 2.302 55.382 53.050 0.050 0.000 4.081 357 N CB -1.325 37.176 38.487 0.023 0.000 0.872 357 N HN 0.682 nan 8.380 nan 0.000 0.235 358 T N 4.276 118.882 114.554 0.087 0.000 2.778 358 T HA 0.256 4.605 4.350 -0.000 0.000 0.282 358 T C -2.342 172.545 174.700 0.312 0.000 0.983 358 T CA -0.250 61.942 62.100 0.154 0.000 1.193 358 T CB 0.785 69.753 68.868 0.167 0.000 0.938 358 T HN 0.260 nan 8.240 nan 0.000 0.523 359 P HA 0.384 nan 4.420 nan 0.000 0.285 359 P C -0.806 176.442 177.300 -0.086 0.000 1.280 359 P CA -1.100 62.034 63.100 0.056 0.000 0.862 359 P CB 0.742 32.443 31.700 0.000 0.000 1.153 360 F N 3.449 123.012 119.950 -0.645 0.000 2.405 360 F HA 0.291 4.818 4.527 -0.000 0.000 0.358 360 F C 0.342 175.882 175.800 -0.432 0.000 1.151 360 F CA -1.149 56.402 58.000 -0.748 0.000 1.161 360 F CB -0.232 38.100 39.000 -1.113 0.000 1.245 360 F HN 0.083 nan 8.300 nan 0.000 0.545 361 M N 7.270 126.553 119.600 -0.527 0.000 2.741 361 M HA 0.432 4.912 4.480 -0.000 0.000 0.283 361 M C -2.727 173.175 176.300 -0.663 0.000 1.176 361 M CA -1.749 53.240 55.300 -0.518 0.000 1.139 361 M CB -0.235 32.251 32.600 -0.190 0.000 1.234 361 M HN 0.201 nan 8.290 nan 0.000 0.497 362 P HA 0.150 nan 4.420 nan 0.000 0.269 362 P C -2.407 174.662 177.300 -0.385 0.000 1.211 362 P CA -0.168 62.357 63.100 -0.958 0.000 0.781 362 P CB -0.261 30.552 31.700 -1.477 0.000 0.877 363 P HA 0.243 nan 4.420 nan 0.000 0.286 363 P C -0.951 176.377 177.300 0.047 0.000 1.261 363 P CA -0.267 62.835 63.100 0.002 0.000 0.821 363 P CB 0.720 32.411 31.700 -0.014 0.000 1.013 364 D N 2.996 123.534 120.400 0.231 0.000 2.317 364 D HA 0.116 4.755 4.640 -0.000 0.000 0.252 364 D C -1.065 175.465 176.300 0.383 0.000 1.174 364 D CA -1.585 52.554 54.000 0.233 0.000 0.866 364 D CB 0.827 41.746 40.800 0.199 0.000 1.127 364 D HN 0.230 nan 8.370 nan 0.000 0.467 365 P HA -0.085 nan 4.420 nan 0.000 0.223 365 P C -0.228 177.290 177.300 0.363 0.000 1.151 365 P CA 0.903 64.100 63.100 0.161 0.000 0.787 365 P CB 0.245 31.958 31.700 0.023 0.000 0.788 366 D N -1.171 119.393 120.400 0.274 0.000 2.593 366 D HA 0.190 4.830 4.640 -0.000 0.000 0.241 366 D C -0.326 176.068 176.300 0.157 0.000 1.257 366 D CA -0.705 53.418 54.000 0.204 0.000 0.828 366 D CB -0.206 40.663 40.800 0.115 0.000 1.049 366 D HN -0.076 nan 8.370 nan 0.000 0.490 367 V N 0.785 120.824 119.914 0.208 0.000 2.501 367 V HA 0.274 4.394 4.120 -0.000 0.000 0.277 367 V C 0.196 176.223 176.094 -0.111 0.000 1.004 367 V CA -1.217 61.120 62.300 0.061 0.000 0.862 367 V CB 1.251 33.121 31.823 0.079 0.000 1.035 367 V HN 0.276 nan 8.190 nan 0.000 0.448 368 S N 7.613 123.148 115.700 -0.275 0.000 2.931 368 S HA 0.012 4.482 4.470 -0.000 0.000 0.342 368 S C -0.268 174.052 174.600 -0.467 0.000 1.220 368 S CA 0.153 58.031 58.200 -0.536 0.000 1.045 368 S CB 0.737 63.744 63.200 -0.322 0.000 0.758 368 S HN 0.666 nan 8.310 nan 0.000 0.508 369 P HA -0.160 nan 4.420 nan 0.000 0.218 369 P C 1.617 178.837 177.300 -0.132 0.000 1.148 369 P CA 0.952 63.861 63.100 -0.318 0.000 0.822 369 P CB 0.001 31.532 31.700 -0.282 0.000 0.784 370 M N -0.255 119.246 119.600 -0.165 0.000 2.132 370 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 370 M C 1.929 178.189 176.300 -0.067 0.000 1.065 370 M CA 1.766 57.018 55.300 -0.079 0.000 1.122 370 M CB -1.396 31.152 32.600 -0.087 0.000 1.365 370 M HN -0.206 nan 8.290 nan 0.000 0.411 371 K N -0.072 120.267 120.400 -0.101 0.000 2.063 371 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 371 K C 1.810 178.373 176.600 -0.062 0.000 1.048 371 K CA 1.380 57.620 56.287 -0.079 0.000 0.928 371 K CB -1.092 31.354 32.500 -0.090 0.000 0.713 371 K HN 0.359 nan 8.250 nan 0.000 0.442 372 V N -0.330 119.550 119.914 -0.057 0.000 2.867 372 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 372 V C 1.406 177.477 176.094 -0.038 0.000 1.099 372 V CA 1.383 63.656 62.300 -0.044 0.000 1.122 372 V CB -0.421 31.396 31.823 -0.010 0.000 0.708 372 V HN 0.135 nan 8.190 nan 0.000 0.490 373 I N 0.098 120.670 120.570 0.004 0.000 2.628 373 I HA 0.123 4.293 4.170 -0.000 0.000 0.255 373 I C 2.697 178.811 176.117 -0.004 0.000 1.119 373 I CA 0.935 62.273 61.300 0.063 0.000 1.448 373 I CB -1.467 36.593 38.000 0.101 0.000 1.133 373 I HN 0.246 nan 8.210 nan 0.000 0.438 374 R N 0.890 121.374 120.500 -0.027 0.000 2.200 374 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 374 R C 2.472 178.738 176.300 -0.056 0.000 1.127 374 R CA 1.438 57.514 56.100 -0.040 0.000 0.989 374 R CB -0.059 30.215 30.300 -0.043 0.000 0.869 374 R HN 0.428 nan 8.270 nan 0.000 0.459 375 S N 0.559 116.213 115.700 -0.076 0.000 2.288 375 S HA 0.031 4.500 4.470 -0.000 0.000 0.198 375 S C 0.919 175.434 174.600 -0.142 0.000 1.021 375 S CA -0.164 57.977 58.200 -0.099 0.000 0.973 375 S CB -0.015 63.123 63.200 -0.103 0.000 0.946 375 S HN 0.098 nan 8.310 nan 0.000 0.470 376 I N 4.217 124.639 120.570 -0.245 0.000 3.148 376 I HA -0.038 4.132 4.170 -0.000 0.000 0.317 376 I C -1.236 174.728 176.117 -0.255 0.000 1.237 376 I CA -0.367 60.693 61.300 -0.400 0.000 1.423 376 I CB -0.061 37.357 38.000 -0.970 0.000 1.352 376 I HN 0.478 nan 8.210 nan 0.000 0.526 377 P HA -0.124 nan 4.420 nan 0.000 0.218 377 P C 1.238 178.602 177.300 0.107 0.000 1.149 377 P CA 0.939 64.038 63.100 -0.002 0.000 0.817 377 P CB 0.365 32.074 31.700 0.014 0.000 0.785 378 V N -0.561 119.393 119.914 0.066 0.000 3.544 378 V HA 0.055 4.174 4.120 -0.000 0.000 0.304 378 V C 0.437 176.864 176.094 0.555 0.000 1.256 378 V CA 0.575 62.946 62.300 0.118 0.000 1.232 378 V CB -1.685 30.154 31.823 0.027 0.000 1.065 378 V HN -0.119 nan 8.190 nan 0.000 0.423 379 F N -0.710 119.248 119.950 0.013 0.000 2.775 379 F HA 0.292 4.819 4.527 -0.000 0.000 0.313 379 F C 1.604 177.210 175.800 -0.324 0.000 1.121 379 F CA -0.703 57.244 58.000 -0.088 0.000 1.206 379 F CB -0.891 38.040 39.000 -0.115 0.000 1.052 379 F HN 0.247 nan 8.300 nan 0.000 0.524 380 N N 0.909 119.629 118.700 0.033 0.000 2.013 380 N HA -0.268 4.472 4.740 -0.000 0.000 0.195 380 N C 2.260 177.580 175.510 -0.317 0.000 1.051 380 N CA 2.340 55.340 53.050 -0.084 0.000 0.851 380 N CB -0.329 38.172 38.487 0.022 0.000 1.044 380 N HN 0.359 nan 8.380 nan 0.000 0.422 381 Y N 0.824 120.975 120.300 -0.249 0.000 2.096 381 Y HA -0.348 4.202 4.550 -0.000 0.000 0.276 381 Y C 2.637 178.025 175.900 -0.853 0.000 1.209 381 Y CA 1.939 59.759 58.100 -0.465 0.000 1.137 381 Y CB -1.254 36.907 38.460 -0.498 0.000 0.956 381 Y HN 0.260 nan 8.280 nan 0.000 0.506 382 Q N 0.738 118.985 119.800 -2.588 0.000 2.045 382 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 382 Q C 2.215 177.711 176.000 -0.841 0.000 0.991 382 Q CA 2.668 57.382 55.803 -1.814 0.000 0.851 382 Q CB -0.443 27.444 28.738 -1.418 0.000 0.911 382 Q HN 0.707 nan 8.270 nan 0.000 0.418 383 L N -0.399 120.501 121.223 -0.538 0.000 2.043 383 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 383 L C 2.410 179.176 176.870 -0.173 0.000 1.075 383 L CA 1.654 56.350 54.840 -0.240 0.000 0.752 383 L CB -0.699 41.273 42.059 -0.145 0.000 0.891 383 L HN 0.458 nan 8.230 nan 0.000 0.432 384 Y N 0.037 120.106 120.300 -0.386 0.000 2.151 384 Y HA -0.328 4.222 4.550 -0.000 0.000 0.284 384 Y C 2.173 177.993 175.900 -0.134 0.000 1.166 384 Y CA 1.317 59.253 58.100 -0.274 0.000 1.163 384 Y CB -0.674 37.575 38.460 -0.352 0.000 0.974 384 Y HN 0.061 nan 8.280 nan 0.000 0.511 385 F N 0.627 120.299 119.950 -0.463 0.000 2.216 385 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 385 F C 2.471 178.098 175.800 -0.287 0.000 1.085 385 F CA 1.327 59.009 58.000 -0.530 0.000 1.326 385 F CB -1.480 37.134 39.000 -0.642 0.000 1.027 385 F HN 0.100 nan 8.300 nan 0.000 0.497 386 Q N 0.780 120.574 119.800 -0.009 0.000 2.065 386 Q HA -0.251 4.088 4.340 -0.000 0.000 0.213 386 Q C 0.765 176.769 176.000 0.006 0.000 1.012 386 Q CA 1.538 57.349 55.803 0.013 0.000 0.876 386 Q CB -0.719 28.019 28.738 0.000 0.000 0.954 386 Q HN 0.295 nan 8.270 nan 0.000 0.413 387 E N 1.221 121.419 120.200 -0.003 0.000 2.292 387 E HA 0.087 4.437 4.350 -0.000 0.000 0.265 387 E C -2.412 174.182 176.600 -0.010 0.000 1.093 387 E CA -1.858 54.545 56.400 0.005 0.000 0.922 387 E CB 0.565 30.281 29.700 0.028 0.000 1.001 387 E HN 0.042 nan 8.360 nan 0.000 0.444 388 P HA 0.127 nan 4.420 nan 0.000 0.267 388 P C 0.583 177.885 177.300 0.004 0.000 1.209 388 P CA 0.791 63.888 63.100 -0.005 0.000 0.763 388 P CB 1.107 32.806 31.700 -0.000 0.000 0.816 389 G N 1.337 110.140 108.800 0.004 0.000 2.399 389 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 389 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 389 G C 0.948 175.860 174.900 0.020 0.000 1.096 389 G CA 0.237 45.349 45.100 0.019 0.000 0.650 389 G HN 0.353 nan 8.290 nan 0.000 0.512 390 V N 2.048 121.972 119.914 0.016 0.000 2.231 390 V HA 0.097 4.217 4.120 -0.000 0.000 0.239 390 V C 3.338 179.436 176.094 0.007 0.000 1.035 390 V CA 3.510 65.839 62.300 0.049 0.000 0.989 390 V CB -1.614 30.259 31.823 0.084 0.000 0.636 390 V HN 1.320 nan 8.190 nan 0.000 0.457 391 A N -0.221 122.480 122.820 -0.199 0.000 1.894 391 A HA -0.383 3.937 4.320 -0.000 0.000 0.220 391 A C 2.036 179.542 177.584 -0.130 0.000 1.237 391 A CA 2.787 54.621 52.037 -0.338 0.000 0.660 391 A CB -0.973 17.828 19.000 -0.331 0.000 0.835 391 A HN 0.692 nan 8.150 nan 0.000 0.461 392 E N -0.551 119.589 120.200 -0.099 0.000 2.072 392 E HA -0.223 4.127 4.350 -0.000 0.000 0.218 392 E C 2.304 178.891 176.600 -0.021 0.000 1.051 392 E CA 1.929 58.305 56.400 -0.039 0.000 0.880 392 E CB -0.622 29.105 29.700 0.045 0.000 0.783 392 E HN 0.653 nan 8.360 nan 0.000 0.473 393 A N 0.683 123.517 122.820 0.024 0.000 1.985 393 A HA -0.388 3.932 4.320 -0.000 0.000 0.223 393 A C 2.155 179.762 177.584 0.037 0.000 1.189 393 A CA 2.225 54.289 52.037 0.044 0.000 0.658 393 A CB -0.655 18.378 19.000 0.055 0.000 0.820 393 A HN 0.349 nan 8.150 nan 0.000 0.464 394 E N -0.683 119.541 120.200 0.041 0.000 2.046 394 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 394 E C 1.939 178.520 176.600 -0.032 0.000 0.982 394 E CA 1.129 57.558 56.400 0.048 0.000 0.800 394 E CB -0.137 29.659 29.700 0.159 0.000 0.756 394 E HN 0.630 nan 8.360 nan 0.000 0.449 395 L N 0.715 121.839 121.223 -0.166 0.000 2.093 395 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 395 L C 2.283 179.053 176.870 -0.167 0.000 1.085 395 L CA 1.262 55.877 54.840 -0.375 0.000 0.755 395 L CB -0.258 41.108 42.059 -1.156 0.000 0.904 395 L HN 0.037 nan 8.230 nan 0.000 0.435 396 E N 0.104 120.297 120.200 -0.012 0.000 2.107 396 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 396 E C 2.102 178.772 176.600 0.117 0.000 0.982 396 E CA 0.574 57.079 56.400 0.175 0.000 0.809 396 E CB -0.033 29.788 29.700 0.202 0.000 0.756 396 E HN 0.283 nan 8.360 nan 0.000 0.459 397 K N 0.625 121.066 120.400 0.068 0.000 2.207 397 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 397 K C 0.171 176.812 176.600 0.068 0.000 1.046 397 K CA 1.439 57.763 56.287 0.061 0.000 0.929 397 K CB 0.029 32.554 32.500 0.042 0.000 0.720 397 K HN -0.001 nan 8.250 nan 0.000 0.463 398 N N -0.924 117.820 118.700 0.073 0.000 2.932 398 N HA 0.056 4.796 4.740 -0.000 0.000 0.242 398 N C 0.057 175.633 175.510 0.111 0.000 1.351 398 N CA -0.174 52.929 53.050 0.088 0.000 0.785 398 N CB 0.481 39.006 38.487 0.065 0.000 1.501 398 N HN -0.067 nan 8.380 nan 0.000 0.584 399 M N 0.075 119.785 119.600 0.184 0.000 2.159 399 M HA -0.134 4.345 4.480 -0.000 0.000 0.263 399 M C 1.903 178.427 176.300 0.374 0.000 1.063 399 M CA 1.166 56.645 55.300 0.298 0.000 1.110 399 M CB -0.544 32.332 32.600 0.459 0.000 1.374 399 M HN 0.592 nan 8.290 nan 0.000 0.411 400 S N 0.876 116.740 115.700 0.274 0.000 2.392 400 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 400 S C 2.105 176.838 174.600 0.221 0.000 1.041 400 S CA 2.129 60.476 58.200 0.245 0.000 1.100 400 S CB -0.395 62.896 63.200 0.152 0.000 1.029 400 S HN 0.475 nan 8.310 nan 0.000 0.424 401 R N 0.223 120.803 120.500 0.132 0.000 2.103 401 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 401 R C 2.135 178.472 176.300 0.060 0.000 1.132 401 R CA 2.440 58.589 56.100 0.083 0.000 0.925 401 R CB -1.688 28.637 30.300 0.043 0.000 0.842 401 R HN 0.477 nan 8.270 nan 0.000 0.430 402 T N 0.907 115.464 114.554 0.005 0.000 2.701 402 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 402 T C 1.583 176.208 174.700 -0.125 0.000 1.032 402 T CA 2.426 64.465 62.100 -0.101 0.000 1.158 402 T CB -0.369 68.340 68.868 -0.265 0.000 0.854 402 T HN 0.327 nan 8.240 nan 0.000 0.463 403 F N 1.222 121.229 119.950 0.094 0.000 2.123 403 F HA 0.101 4.628 4.527 -0.000 0.000 0.289 403 F C 2.388 178.220 175.800 0.053 0.000 1.099 403 F CA 0.565 58.571 58.000 0.009 0.000 1.234 403 F CB -0.179 38.862 39.000 0.068 0.000 1.034 403 F HN -0.019 nan 8.300 nan 0.000 0.479 404 K N -0.024 120.548 120.400 0.287 0.000 2.286 404 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 404 K C 1.966 178.650 176.600 0.141 0.000 1.045 404 K CA 1.409 57.818 56.287 0.203 0.000 0.935 404 K CB -0.669 31.918 32.500 0.145 0.000 0.737 404 K HN 0.177 nan 8.250 nan 0.000 0.460 405 S N 1.114 116.869 115.700 0.092 0.000 2.329 405 S HA -0.019 4.451 4.470 -0.000 0.000 0.215 405 S C 1.744 176.370 174.600 0.043 0.000 1.031 405 S CA 0.782 58.995 58.200 0.020 0.000 0.985 405 S CB -0.332 62.826 63.200 -0.070 0.000 0.917 405 S HN 0.201 nan 8.310 nan 0.000 0.441 406 F N 1.227 121.110 119.950 -0.112 0.000 2.065 406 F HA -0.051 4.475 4.527 -0.000 0.000 0.298 406 F C 0.692 176.582 175.800 0.150 0.000 1.112 406 F CA 1.083 59.030 58.000 -0.088 0.000 1.212 406 F CB -0.467 38.207 39.000 -0.543 0.000 0.975 406 F HN 0.113 nan 8.300 nan 0.000 0.476 407 F N 2.364 122.462 119.950 0.246 0.000 2.464 407 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 407 F C 0.288 176.189 175.800 0.168 0.000 1.191 407 F CA -0.443 57.505 58.000 -0.086 0.000 1.147 407 F CB -0.085 38.647 39.000 -0.448 0.000 1.294 407 F HN -0.213 nan 8.300 nan 0.000 0.583 408 R N 1.848 122.704 120.500 0.595 0.000 2.740 408 R HA 0.699 5.039 4.340 -0.000 0.000 0.273 408 R C -0.574 175.986 176.300 0.432 0.000 0.998 408 R CA -1.185 55.136 56.100 0.370 0.000 0.900 408 R CB 1.435 31.867 30.300 0.219 0.000 1.223 408 R HN 0.514 nan 8.270 nan 0.000 0.466 409 A N 0.741 123.712 122.820 0.252 0.000 2.366 409 A HA 0.142 4.462 4.320 -0.000 0.000 0.250 409 A C 1.443 179.189 177.584 0.270 0.000 1.099 409 A CA 0.403 52.574 52.037 0.224 0.000 0.794 409 A CB 0.201 19.272 19.000 0.120 0.000 1.056 409 A HN 0.900 nan 8.150 nan 0.000 0.499 410 S N -0.395 115.434 115.700 0.214 0.000 2.399 410 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 410 S C 0.304 175.062 174.600 0.264 0.000 1.022 410 S CA 1.518 59.851 58.200 0.222 0.000 0.983 410 S CB -0.694 62.578 63.200 0.122 0.000 0.803 410 S HN 0.761 nan 8.310 nan 0.000 0.480 411 D N 0.313 120.809 120.400 0.160 0.000 2.736 411 D HA 0.628 5.268 4.640 -0.000 0.000 0.293 411 D C -0.455 175.855 176.300 0.017 0.000 1.241 411 D CA -0.426 53.636 54.000 0.103 0.000 0.965 411 D CB 0.362 41.202 40.800 0.067 0.000 0.992 411 D HN 0.490 nan 8.370 nan 0.000 0.510 412 E N -0.117 120.029 120.200 -0.090 0.000 2.413 412 E HA 0.379 4.729 4.350 -0.000 0.000 0.277 412 E C -0.087 176.143 176.600 -0.617 0.000 0.958 412 E CA -0.765 55.485 56.400 -0.250 0.000 0.779 412 E CB 1.538 31.141 29.700 -0.162 0.000 1.278 412 E HN 0.240 nan 8.360 nan 0.000 0.456 413 T N -0.498 113.804 114.554 -0.420 0.000 4.604 413 T HA 0.233 4.583 4.350 -0.000 0.000 0.390 413 T C 1.217 175.616 174.700 -0.501 0.000 1.141 413 T CA -0.034 61.816 62.100 -0.418 0.000 0.919 413 T CB -0.633 68.122 68.868 -0.189 0.000 1.732 413 T HN 0.855 nan 8.240 nan 0.000 0.490 414 G N 0.745 109.403 108.800 -0.237 0.000 2.483 414 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.309 414 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.309 414 G C 0.012 174.866 174.900 -0.076 0.000 0.908 414 G CA 0.154 45.176 45.100 -0.130 0.000 0.943 414 G HN 0.460 nan 8.290 nan 0.000 0.511 415 F N -1.307 118.633 119.950 -0.018 0.000 2.587 415 F HA 0.392 4.919 4.527 -0.000 0.000 0.327 415 F C 1.317 177.062 175.800 -0.092 0.000 1.232 415 F CA -0.996 56.980 58.000 -0.039 0.000 1.353 415 F CB 0.142 39.123 39.000 -0.032 0.000 1.156 415 F HN 0.010 nan 8.300 nan 0.000 0.599 416 I N 0.658 121.294 120.570 0.110 0.000 2.886 416 I HA 0.291 4.461 4.170 -0.000 0.000 0.299 416 I C 0.413 176.474 176.117 -0.094 0.000 1.044 416 I CA -0.459 60.773 61.300 -0.114 0.000 1.310 416 I CB 0.986 38.807 38.000 -0.298 0.000 1.441 416 I HN 0.543 nan 8.210 nan 0.000 0.578 417 A N 4.715 127.468 122.820 -0.112 0.000 3.245 417 A HA 0.280 4.599 4.320 -0.000 0.000 0.282 417 A C 1.304 178.852 177.584 -0.060 0.000 1.417 417 A CA -0.084 51.926 52.037 -0.045 0.000 1.149 417 A CB -0.527 18.445 19.000 -0.046 0.000 1.155 417 A HN 0.729 nan 8.150 nan 0.000 0.602 418 V N 1.073 120.867 119.914 -0.200 0.000 2.453 418 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 418 V C 1.756 177.867 176.094 0.028 0.000 1.068 418 V CA 2.964 65.099 62.300 -0.275 0.000 1.070 418 V CB -0.847 30.596 31.823 -0.634 0.000 0.664 418 V HN 0.917 nan 8.190 nan 0.000 0.461 419 H N 0.269 119.350 119.070 0.019 0.000 2.615 419 H HA 0.160 4.716 4.556 -0.000 0.000 0.275 419 H C 1.986 177.294 175.328 -0.032 0.000 0.981 419 H CA 0.499 56.558 56.048 0.019 0.000 1.252 419 H CB -0.211 29.548 29.762 -0.005 0.000 1.447 419 H HN 0.542 nan 8.280 nan 0.000 0.498 420 K N 2.020 122.499 120.400 0.133 0.000 2.486 420 K HA 0.271 4.590 4.320 -0.000 0.000 0.194 420 K C 1.945 178.505 176.600 -0.067 0.000 1.033 420 K CA 0.560 56.844 56.287 -0.004 0.000 1.004 420 K CB 0.156 32.636 32.500 -0.034 0.000 0.798 420 K HN 0.139 nan 8.250 nan 0.000 0.495 421 A N 2.435 125.205 122.820 -0.082 0.000 1.997 421 A HA -0.267 4.053 4.320 -0.000 0.000 0.237 421 A C 1.339 178.755 177.584 -0.280 0.000 1.807 421 A CA 2.577 54.480 52.037 -0.225 0.000 0.863 421 A CB -2.027 16.865 19.000 -0.179 0.000 0.821 421 A HN 0.659 nan 8.150 nan 0.000 0.500 422 T N -2.505 111.933 114.554 -0.194 0.000 2.817 422 T HA 0.502 4.851 4.350 -0.000 0.000 0.295 422 T C 0.362 174.991 174.700 -0.118 0.000 0.958 422 T CA 0.598 62.606 62.100 -0.152 0.000 1.157 422 T CB 1.457 70.278 68.868 -0.079 0.000 0.898 422 T HN 0.651 nan 8.240 nan 0.000 0.536 423 E N 0.830 120.960 120.200 -0.118 0.000 3.320 423 E HA -0.184 4.166 4.350 -0.000 0.000 0.130 423 E C 1.370 177.910 176.600 -0.100 0.000 0.690 423 E CA 0.811 57.157 56.400 -0.090 0.000 3.031 423 E CB -1.154 28.500 29.700 -0.077 0.000 1.261 423 E HN 0.756 nan 8.360 nan 0.000 0.759 424 I N -0.298 120.201 120.570 -0.119 0.000 3.444 424 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 424 I C 1.303 177.332 176.117 -0.147 0.000 1.302 424 I CA 1.513 62.745 61.300 -0.115 0.000 1.368 424 I CB 0.169 38.106 38.000 -0.104 0.000 1.048 424 I HN 0.470 nan 8.210 nan 0.000 0.487 425 G N 0.771 109.450 108.800 -0.201 0.000 2.176 425 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.253 425 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.253 425 G C 0.437 175.089 174.900 -0.413 0.000 0.979 425 G CA -0.222 44.736 45.100 -0.237 0.000 0.641 425 G HN 1.405 nan 8.290 nan 0.000 0.530 426 G N -1.501 106.980 108.800 -0.533 0.000 2.341 426 G HA2 0.496 4.456 3.960 -0.000 0.000 0.300 426 G HA3 0.496 4.456 3.960 -0.000 0.000 0.300 426 G C 0.432 175.116 174.900 -0.359 0.000 1.706 426 G CA 0.054 44.719 45.100 -0.725 0.000 0.916 426 G HN 1.041 nan 8.290 nan 0.000 0.716 427 I N 0.355 120.794 120.570 -0.217 0.000 2.848 427 I HA -0.136 4.034 4.170 -0.000 0.000 0.271 427 I C 1.373 177.429 176.117 -0.102 0.000 1.248 427 I CA 1.395 62.665 61.300 -0.051 0.000 1.442 427 I CB 0.049 38.135 38.000 0.143 0.000 1.110 427 I HN 0.401 nan 8.210 nan 0.000 0.479 428 L N -1.577 119.595 121.223 -0.086 0.000 3.086 428 L HA 0.122 4.462 4.340 -0.000 0.000 0.274 428 L C 1.554 178.380 176.870 -0.074 0.000 1.184 428 L CA -0.125 54.660 54.840 -0.091 0.000 1.002 428 L CB 0.762 42.776 42.059 -0.075 0.000 1.383 428 L HN -0.112 nan 8.230 nan 0.000 0.582 429 V N 0.606 120.467 119.914 -0.089 0.000 2.660 429 V HA -0.258 3.862 4.120 -0.000 0.000 0.257 429 V C 1.393 177.452 176.094 -0.058 0.000 1.088 429 V CA 2.015 64.269 62.300 -0.077 0.000 1.106 429 V CB -1.553 30.210 31.823 -0.101 0.000 0.686 429 V HN 0.689 nan 8.190 nan 0.000 0.481 430 N N 0.103 118.769 118.700 -0.055 0.000 2.607 430 N HA 0.267 5.007 4.740 -0.000 0.000 0.284 430 N C 0.042 175.531 175.510 -0.035 0.000 1.365 430 N CA 0.150 53.177 53.050 -0.038 0.000 0.862 430 N CB -0.162 38.309 38.487 -0.027 0.000 1.107 430 N HN 0.302 nan 8.380 nan 0.000 0.463 431 T N -2.832 111.706 114.554 -0.026 0.000 0.541 431 T HA -0.119 4.231 4.350 -0.000 0.000 0.774 431 T C -2.615 172.070 174.700 -0.024 0.000 0.992 431 T CA -0.682 61.402 62.100 -0.028 0.000 4.077 431 T CB -1.929 66.915 68.868 -0.040 0.000 2.303 431 T HN 0.444 nan 8.240 nan 0.000 0.398 432 P HA 0.341 nan 4.420 nan 0.000 0.274 432 P C 1.049 178.344 177.300 -0.009 0.000 1.264 432 P CA -0.301 62.790 63.100 -0.014 0.000 0.795 432 P CB 0.451 32.144 31.700 -0.012 0.000 1.064 433 E N -0.030 120.168 120.200 -0.002 0.000 2.075 433 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 433 E C 0.126 176.734 176.600 0.014 0.000 0.969 433 E CA 0.900 57.302 56.400 0.004 0.000 0.815 433 E CB -0.266 29.438 29.700 0.006 0.000 0.776 433 E HN 0.486 nan 8.360 nan 0.000 0.457 434 D N 0.921 121.330 120.400 0.014 0.000 2.505 434 D HA 0.181 4.821 4.640 -0.000 0.000 0.242 434 D C -2.312 174.000 176.300 0.020 0.000 1.136 434 D CA -1.891 52.122 54.000 0.023 0.000 0.954 434 D CB 0.510 41.322 40.800 0.021 0.000 1.002 434 D HN -0.090 nan 8.370 nan 0.000 0.512 435 P HA 0.063 nan 4.420 nan 0.000 0.270 435 P C -0.108 177.207 177.300 0.025 0.000 1.221 435 P CA -0.326 62.785 63.100 0.019 0.000 0.788 435 P CB 0.518 32.236 31.700 0.030 0.000 0.904 436 N N 0.547 119.256 118.700 0.015 0.000 2.509 436 N HA 0.185 4.924 4.740 -0.000 0.000 0.287 436 N C -0.858 174.670 175.510 0.031 0.000 1.121 436 N CA -0.489 52.572 53.050 0.017 0.000 0.977 436 N CB 0.114 38.602 38.487 0.002 0.000 1.167 436 N HN 0.195 nan 8.380 nan 0.000 0.476 437 L N 2.795 124.040 121.223 0.037 0.000 2.562 437 L HA 0.098 4.438 4.340 -0.000 0.000 0.271 437 L C -0.081 176.813 176.870 0.039 0.000 1.167 437 L CA 0.400 55.268 54.840 0.047 0.000 0.917 437 L CB -1.015 41.070 42.059 0.043 0.000 1.187 437 L HN 0.644 nan 8.230 nan 0.000 0.482 438 S N 4.159 119.891 115.700 0.053 0.000 2.562 438 S HA 0.133 4.603 4.470 -0.000 0.000 0.281 438 S C 0.566 175.186 174.600 0.035 0.000 1.333 438 S CA -0.762 57.466 58.200 0.048 0.000 1.052 438 S CB 0.148 63.399 63.200 0.085 0.000 0.884 438 S HN 0.543 nan 8.310 nan 0.000 0.506 439 K N 0.394 120.809 120.400 0.025 0.000 3.358 439 K HA 0.280 4.599 4.320 -0.000 0.000 0.297 439 K C -0.055 176.550 176.600 0.009 0.000 1.064 439 K CA 0.410 56.706 56.287 0.015 0.000 1.144 439 K CB -0.456 32.050 32.500 0.009 0.000 1.289 439 K HN 0.492 nan 8.250 nan 0.000 0.372 440 I N -0.378 120.197 120.570 0.009 0.000 4.827 440 I HA 0.008 4.178 4.170 -0.000 0.000 0.362 440 I C -0.927 175.160 176.117 -0.050 0.000 1.237 440 I CA 0.116 61.405 61.300 -0.018 0.000 1.366 440 I CB 1.223 39.235 38.000 0.020 0.000 1.742 440 I HN 0.473 nan 8.210 nan 0.000 0.588 441 T N -2.286 112.254 114.554 -0.025 0.000 2.993 441 T HA 0.543 4.893 4.350 -0.000 0.000 0.312 441 T C -0.250 174.462 174.700 0.020 0.000 1.115 441 T CA -0.535 61.545 62.100 -0.034 0.000 1.027 441 T CB 1.872 70.691 68.868 -0.083 0.000 1.116 441 T HN 0.022 nan 8.240 nan 0.000 0.464 442 T N 0.548 115.126 114.554 0.041 0.000 2.907 442 T HA 0.353 4.703 4.350 -0.000 0.000 0.284 442 T C 1.315 176.057 174.700 0.069 0.000 1.004 442 T CA -0.205 61.928 62.100 0.054 0.000 1.063 442 T CB 1.406 70.308 68.868 0.057 0.000 0.992 442 T HN 0.846 nan 8.240 nan 0.000 0.483 443 E N 2.432 122.671 120.200 0.064 0.000 2.149 443 E HA -0.276 4.073 4.350 -0.000 0.000 0.215 443 E C 1.650 178.300 176.600 0.083 0.000 1.055 443 E CA 2.727 59.169 56.400 0.071 0.000 0.870 443 E CB -0.239 29.496 29.700 0.057 0.000 0.764 443 E HN 0.893 nan 8.360 nan 0.000 0.463 444 E N 0.170 120.415 120.200 0.074 0.000 2.038 444 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 444 E C 2.229 178.904 176.600 0.126 0.000 1.000 444 E CA 1.505 57.952 56.400 0.077 0.000 0.803 444 E CB -0.237 29.496 29.700 0.055 0.000 0.750 444 E HN 0.371 nan 8.360 nan 0.000 0.448 445 E N 0.097 120.392 120.200 0.157 0.000 2.147 445 E HA -0.235 4.114 4.350 -0.000 0.000 0.199 445 E C 1.968 178.784 176.600 0.360 0.000 1.005 445 E CA 1.062 57.634 56.400 0.286 0.000 0.810 445 E CB -0.089 29.707 29.700 0.161 0.000 0.736 445 E HN 0.244 nan 8.360 nan 0.000 0.460 446 I N 0.327 121.025 120.570 0.213 0.000 2.286 446 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 446 I C 2.343 178.548 176.117 0.147 0.000 1.104 446 I CA 0.951 62.360 61.300 0.182 0.000 1.397 446 I CB -0.041 38.035 38.000 0.128 0.000 1.072 446 I HN 0.064 nan 8.210 nan 0.000 0.417 447 E N 0.342 120.612 120.200 0.117 0.000 2.130 447 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 447 E C 2.051 178.666 176.600 0.024 0.000 0.998 447 E CA 1.540 57.977 56.400 0.062 0.000 0.806 447 E CB -0.152 29.578 29.700 0.050 0.000 0.738 447 E HN 0.438 nan 8.360 nan 0.000 0.459 448 F N -0.319 119.564 119.950 -0.111 0.000 2.075 448 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 448 F C 1.714 177.368 175.800 -0.244 0.000 1.113 448 F CA 1.651 59.489 58.000 -0.270 0.000 1.218 448 F CB -0.386 38.272 39.000 -0.569 0.000 0.984 448 F HN 0.080 nan 8.300 nan 0.000 0.472 449 Y N 0.557 120.865 120.300 0.012 0.000 2.207 449 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 449 Y C 2.325 178.039 175.900 -0.310 0.000 1.156 449 Y CA 1.896 59.883 58.100 -0.190 0.000 1.182 449 Y CB -0.545 37.591 38.460 -0.540 0.000 0.979 449 Y HN 0.108 nan 8.280 nan 0.000 0.521 450 I N -0.218 120.254 120.570 -0.163 0.000 2.090 450 I HA -0.352 3.818 4.170 -0.000 0.000 0.236 450 I C 2.653 178.770 176.117 0.000 0.000 1.064 450 I CA 1.813 63.105 61.300 -0.014 0.000 1.324 450 I CB -0.776 37.247 38.000 0.039 0.000 1.044 450 I HN 0.262 nan 8.210 nan 0.000 0.399 451 Q N 1.146 120.873 119.800 -0.121 0.000 2.077 451 Q HA -0.337 4.003 4.340 -0.000 0.000 0.206 451 Q C 2.235 178.093 176.000 -0.237 0.000 0.989 451 Q CA 2.158 57.852 55.803 -0.181 0.000 0.853 451 Q CB -0.199 28.373 28.738 -0.276 0.000 0.907 451 Q HN 0.401 nan 8.270 nan 0.000 0.418 452 Q N 0.078 119.645 119.800 -0.388 0.000 2.014 452 Q HA -0.158 4.182 4.340 -0.000 0.000 0.207 452 Q C 1.802 177.624 176.000 -0.296 0.000 0.993 452 Q CA 2.348 57.900 55.803 -0.419 0.000 0.850 452 Q CB -0.607 27.827 28.738 -0.507 0.000 0.916 452 Q HN 0.521 nan 8.270 nan 0.000 0.417 453 F N 0.176 120.033 119.950 -0.154 0.000 2.293 453 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 453 F C 2.032 177.775 175.800 -0.096 0.000 1.086 453 F CA 0.807 58.718 58.000 -0.147 0.000 1.375 453 F CB 0.023 38.952 39.000 -0.118 0.000 1.045 453 F HN 0.004 nan 8.300 nan 0.000 0.516 454 K N 1.044 121.500 120.400 0.094 0.000 2.103 454 K HA -0.198 4.121 4.320 -0.000 0.000 0.207 454 K C 2.018 178.623 176.600 0.010 0.000 1.048 454 K CA 1.627 57.952 56.287 0.064 0.000 0.930 454 K CB -0.428 32.090 32.500 0.030 0.000 0.716 454 K HN 0.410 nan 8.250 nan 0.000 0.444 455 K N -0.520 119.850 120.400 -0.050 0.000 2.186 455 K HA -0.027 4.292 4.320 -0.000 0.000 0.202 455 K C 2.018 178.581 176.600 -0.062 0.000 1.052 455 K CA 1.457 57.706 56.287 -0.062 0.000 0.965 455 K CB -0.170 32.273 32.500 -0.096 0.000 0.746 455 K HN -0.069 nan 8.250 nan 0.000 0.457 456 T N -0.822 113.668 114.554 -0.108 0.000 3.031 456 T HA 0.255 4.604 4.350 -0.000 0.000 0.254 456 T C 0.879 175.544 174.700 -0.059 0.000 1.060 456 T CA 0.917 62.947 62.100 -0.116 0.000 1.135 456 T CB -0.382 68.332 68.868 -0.257 0.000 0.896 456 T HN 0.648 nan 8.240 nan 0.000 0.472 457 G N -0.003 108.787 108.800 -0.016 0.000 2.615 457 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 457 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 457 G C 0.035 174.969 174.900 0.057 0.000 1.339 457 G CA -0.010 45.131 45.100 0.069 0.000 0.884 457 G HN 0.334 nan 8.290 nan 0.000 0.559 458 F N -0.170 119.848 119.950 0.112 0.000 2.789 458 F HA 0.303 4.830 4.527 -0.000 0.000 0.320 458 F C 2.563 178.374 175.800 0.017 0.000 1.079 458 F CA 0.662 58.716 58.000 0.090 0.000 1.205 458 F CB 0.261 39.282 39.000 0.036 0.000 1.046 458 F HN 0.489 nan 8.300 nan 0.000 0.586 459 R N 0.874 121.477 120.500 0.171 0.000 2.113 459 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 459 R C 2.383 178.658 176.300 -0.041 0.000 1.129 459 R CA 2.078 58.213 56.100 0.058 0.000 0.915 459 R CB -1.223 29.094 30.300 0.028 0.000 0.837 459 R HN 0.378 nan 8.270 nan 0.000 0.430 460 G N 1.019 109.778 108.800 -0.069 0.000 2.703 460 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.222 460 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.222 460 G C -1.038 173.703 174.900 -0.264 0.000 1.183 460 G CA 1.341 46.340 45.100 -0.168 0.000 0.775 460 G HN 0.406 nan 8.290 nan 0.000 0.615 461 P HA -0.064 nan 4.420 nan 0.000 0.215 461 P C 2.159 179.579 177.300 0.200 0.000 1.157 461 P CA 0.888 63.864 63.100 -0.207 0.000 0.868 461 P CB -0.234 31.146 31.700 -0.533 0.000 0.788 462 L N -1.098 120.265 121.223 0.233 0.000 2.079 462 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 462 L C 1.780 178.662 176.870 0.020 0.000 1.081 462 L CA 1.462 56.399 54.840 0.161 0.000 0.752 462 L CB -1.222 40.864 42.059 0.046 0.000 0.896 462 L HN -0.038 nan 8.230 nan 0.000 0.433 463 N N -0.941 117.635 118.700 -0.205 0.000 2.586 463 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 463 N C 1.250 176.563 175.510 -0.328 0.000 1.085 463 N CA 0.920 53.744 53.050 -0.376 0.000 0.921 463 N CB -0.254 37.696 38.487 -0.896 0.000 0.954 463 N HN 0.354 nan 8.380 nan 0.000 0.448 464 W N -0.210 120.777 121.300 -0.523 0.000 2.381 464 W HA -0.022 4.638 4.660 -0.000 0.000 0.301 464 W C 1.575 177.545 176.519 -0.915 0.000 1.205 464 W CA 0.748 57.620 57.345 -0.788 0.000 1.285 464 W CB -0.670 28.062 29.460 -1.213 0.000 1.133 464 W HN 0.151 nan 8.180 nan 0.000 0.521 465 Y N 0.318 120.493 120.300 -0.210 0.000 2.163 465 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 465 Y C 1.959 177.913 175.900 0.089 0.000 1.136 465 Y CA 1.291 59.484 58.100 0.154 0.000 1.147 465 Y CB -0.694 37.903 38.460 0.228 0.000 0.987 465 Y HN -0.215 nan 8.280 nan 0.000 0.509 466 R N 1.308 121.903 120.500 0.159 0.000 3.457 466 R HA -0.031 4.309 4.340 -0.000 0.000 0.218 466 R C -0.238 176.086 176.300 0.041 0.000 1.833 466 R CA 0.418 56.568 56.100 0.083 0.000 1.554 466 R CB -0.764 29.554 30.300 0.030 0.000 1.143 466 R HN 0.372 nan 8.270 nan 0.000 0.557 467 N N 0.132 118.867 118.700 0.058 0.000 2.307 467 N HA 0.025 4.765 4.740 -0.000 0.000 0.248 467 N C 0.242 175.820 175.510 0.114 0.000 1.322 467 N CA 0.051 53.127 53.050 0.042 0.000 0.861 467 N CB 1.053 39.517 38.487 -0.039 0.000 1.303 467 N HN 0.106 nan 8.380 nan 0.000 0.498 468 T N 0.492 115.139 114.554 0.155 0.000 2.624 468 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 468 T C 1.744 176.563 174.700 0.198 0.000 1.041 468 T CA 1.563 63.778 62.100 0.192 0.000 1.159 468 T CB 0.033 68.990 68.868 0.148 0.000 0.863 468 T HN 0.221 nan 8.240 nan 0.000 0.434 469 E N 1.337 121.622 120.200 0.142 0.000 2.017 469 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 469 E C 2.417 179.189 176.600 0.286 0.000 0.997 469 E CA 1.312 57.815 56.400 0.172 0.000 0.804 469 E CB -0.181 29.578 29.700 0.099 0.000 0.757 469 E HN 0.544 nan 8.360 nan 0.000 0.448 470 R N 0.405 121.021 120.500 0.193 0.000 2.112 470 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 470 R C 2.120 178.562 176.300 0.237 0.000 1.137 470 R CA 1.593 57.796 56.100 0.170 0.000 0.944 470 R CB -0.965 29.374 30.300 0.066 0.000 0.857 470 R HN 0.174 nan 8.270 nan 0.000 0.435 471 N N 0.500 119.344 118.700 0.240 0.000 2.036 471 N HA -0.233 4.507 4.740 -0.000 0.000 0.195 471 N C 1.355 177.101 175.510 0.393 0.000 1.037 471 N CA 1.569 54.812 53.050 0.322 0.000 0.855 471 N CB -0.730 37.944 38.487 0.313 0.000 1.033 471 N HN 0.367 nan 8.380 nan 0.000 0.423 472 W N 2.333 123.739 121.300 0.176 0.000 2.315 472 W HA -0.185 4.475 4.660 -0.000 0.000 0.323 472 W C 2.057 178.662 176.519 0.144 0.000 1.233 472 W CA 1.823 59.251 57.345 0.137 0.000 1.267 472 W CB -0.276 29.245 29.460 0.102 0.000 1.160 472 W HN 0.010 nan 8.180 nan 0.000 0.474 473 K N -1.286 119.314 120.400 0.333 0.000 2.160 473 K HA -0.250 4.070 4.320 -0.000 0.000 0.206 473 K C 1.830 178.483 176.600 0.088 0.000 1.047 473 K CA 1.784 58.134 56.287 0.105 0.000 0.930 473 K CB -0.821 31.836 32.500 0.261 0.000 0.720 473 K HN 0.321 nan 8.250 nan 0.000 0.450 474 W N 1.611 122.903 121.300 -0.014 0.000 2.501 474 W HA -0.097 4.562 4.660 -0.000 0.000 0.309 474 W C 2.055 178.611 176.519 0.062 0.000 1.165 474 W CA 1.480 58.818 57.345 -0.013 0.000 1.381 474 W CB -0.554 28.865 29.460 -0.068 0.000 1.142 474 W HN -0.090 nan 8.180 nan 0.000 0.509 475 S N -0.407 115.303 115.700 0.016 0.000 2.493 475 S HA -0.243 4.226 4.470 -0.000 0.000 0.243 475 S C 1.741 176.227 174.600 -0.190 0.000 0.991 475 S CA 1.243 59.373 58.200 -0.117 0.000 0.957 475 S CB -1.288 61.913 63.200 0.001 0.000 0.756 475 S HN 0.353 nan 8.310 nan 0.000 0.521 476 C N 1.932 121.087 119.300 -0.242 0.000 2.456 476 C HA 0.063 4.523 4.460 -0.000 0.000 0.279 476 C C 2.448 177.326 174.990 -0.186 0.000 1.427 476 C CA 0.201 59.037 59.018 -0.302 0.000 1.778 476 C CB -0.930 26.507 27.740 -0.504 0.000 1.842 476 C HN 0.633 nan 8.230 nan 0.000 0.531 477 K N 0.381 120.696 120.400 -0.141 0.000 2.167 477 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 477 K C 1.633 178.112 176.600 -0.201 0.000 1.052 477 K CA 1.263 57.486 56.287 -0.108 0.000 0.956 477 K CB -0.211 32.290 32.500 0.001 0.000 0.735 477 K HN 0.439 nan 8.250 nan 0.000 0.451 478 G N 1.062 109.672 108.800 -0.316 0.000 3.639 478 G HA2 0.161 4.120 3.960 -0.000 0.000 0.279 478 G HA3 0.161 4.120 3.960 -0.000 0.000 0.279 478 G C 0.752 175.590 174.900 -0.104 0.000 1.312 478 G CA -0.247 44.628 45.100 -0.374 0.000 1.355 478 G HN 0.060 nan 8.290 nan 0.000 0.595 479 L N -0.471 120.749 121.223 -0.004 0.000 2.354 479 L HA 0.188 4.527 4.340 -0.000 0.000 0.212 479 L C 2.647 179.685 176.870 0.281 0.000 1.091 479 L CA 0.765 55.754 54.840 0.249 0.000 0.828 479 L CB 0.313 42.449 42.059 0.128 0.000 0.973 479 L HN 0.368 nan 8.230 nan 0.000 0.461 480 G N 0.545 109.394 108.800 0.081 0.000 2.813 480 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.209 480 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.209 480 G C 0.816 175.720 174.900 0.007 0.000 1.150 480 G CA -0.229 44.878 45.100 0.011 0.000 0.785 480 G HN 0.317 nan 8.290 nan 0.000 0.535 481 R N -0.474 120.064 120.500 0.063 0.000 2.944 481 R HA 0.826 5.166 4.340 -0.000 0.000 0.233 481 R C -0.534 175.868 176.300 0.171 0.000 1.346 481 R CA -0.964 55.161 56.100 0.041 0.000 1.082 481 R CB 0.884 31.158 30.300 -0.043 0.000 1.434 481 R HN 0.107 nan 8.270 nan 0.000 0.510 482 K N -0.211 120.254 120.400 0.108 0.000 2.522 482 K HA 0.396 4.715 4.320 -0.000 0.000 0.275 482 K C -0.875 175.763 176.600 0.064 0.000 1.006 482 K CA -1.067 55.329 56.287 0.181 0.000 0.890 482 K CB 1.151 33.719 32.500 0.112 0.000 1.475 482 K HN 0.228 nan 8.250 nan 0.000 0.441 483 I N 2.581 123.181 120.570 0.049 0.000 2.329 483 I HA 0.093 4.263 4.170 -0.000 0.000 0.295 483 I C 0.293 176.441 176.117 0.052 0.000 1.109 483 I CA -0.109 61.197 61.300 0.009 0.000 1.297 483 I CB -0.584 37.397 38.000 -0.032 0.000 1.433 483 I HN 0.585 nan 8.210 nan 0.000 0.509 484 L N 7.205 128.475 121.223 0.079 0.000 3.017 484 L HA 0.229 4.569 4.340 -0.000 0.000 0.255 484 L C 0.313 177.292 176.870 0.182 0.000 1.247 484 L CA -0.175 54.750 54.840 0.141 0.000 1.038 484 L CB 0.375 42.511 42.059 0.128 0.000 1.380 484 L HN 0.542 nan 8.230 nan 0.000 0.548 485 V N -3.707 116.311 119.914 0.174 0.000 2.919 485 V HA 0.696 4.816 4.120 -0.000 0.000 0.316 485 V C -2.470 173.763 176.094 0.233 0.000 1.077 485 V CA -2.468 59.940 62.300 0.180 0.000 0.977 485 V CB 1.562 33.477 31.823 0.154 0.000 1.039 485 V HN -0.033 nan 8.190 nan 0.000 0.441 486 P HA 0.382 nan 4.420 nan 0.000 0.261 486 P C -0.515 177.031 177.300 0.411 0.000 1.183 486 P CA 0.727 64.015 63.100 0.313 0.000 0.761 486 P CB 0.290 32.137 31.700 0.245 0.000 0.785 487 A N 3.798 126.866 122.820 0.414 0.000 2.454 487 A HA 0.819 5.139 4.320 -0.000 0.000 0.302 487 A C -1.503 176.184 177.584 0.173 0.000 1.079 487 A CA -0.746 51.500 52.037 0.348 0.000 0.731 487 A CB 1.460 20.712 19.000 0.421 0.000 1.299 487 A HN 0.573 nan 8.150 nan 0.000 0.413 488 L N 1.881 123.038 121.223 -0.110 0.000 2.436 488 L HA 0.723 5.063 4.340 -0.000 0.000 0.268 488 L C -1.674 175.159 176.870 -0.062 0.000 0.974 488 L CA -0.693 53.908 54.840 -0.399 0.000 0.826 488 L CB 2.068 43.261 42.059 -1.443 0.000 1.291 488 L HN 0.910 nan 8.230 nan 0.000 0.406 489 M N 5.859 125.489 119.600 0.049 0.000 2.053 489 M HA 0.423 4.903 4.480 -0.000 0.000 0.297 489 M C -1.799 174.544 176.300 0.071 0.000 0.921 489 M CA -0.363 55.047 55.300 0.184 0.000 0.918 489 M CB 1.328 34.051 32.600 0.206 0.000 1.499 489 M HN 0.182 nan 8.290 nan 0.000 0.422 490 V N 4.664 124.609 119.914 0.052 0.000 2.350 490 V HA 0.562 4.682 4.120 -0.000 0.000 0.276 490 V C 0.109 176.217 176.094 0.023 0.000 1.028 490 V CA -0.561 61.752 62.300 0.021 0.000 0.860 490 V CB 1.123 32.945 31.823 -0.002 0.000 0.990 490 V HN 0.885 nan 8.190 nan 0.000 0.453 491 T N 2.541 117.086 114.554 -0.015 0.000 2.875 491 T HA 0.811 5.161 4.350 -0.000 0.000 0.284 491 T C -0.020 174.473 174.700 -0.345 0.000 0.995 491 T CA -0.492 61.555 62.100 -0.087 0.000 1.060 491 T CB 1.841 70.739 68.868 0.050 0.000 0.967 491 T HN 0.851 nan 8.240 nan 0.000 0.476 492 A N 1.633 124.314 122.820 -0.230 0.000 2.303 492 A HA 0.556 4.876 4.320 -0.000 0.000 0.317 492 A C 1.051 178.500 177.584 -0.225 0.000 1.149 492 A CA -0.726 51.169 52.037 -0.237 0.000 0.822 492 A CB 0.859 19.807 19.000 -0.086 0.000 1.131 492 A HN 1.096 nan 8.150 nan 0.000 0.493 493 E N 1.518 121.620 120.200 -0.163 0.000 2.022 493 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 493 E C 0.439 177.059 176.600 0.033 0.000 0.973 493 E CA 0.662 57.088 56.400 0.045 0.000 0.816 493 E CB -0.138 29.666 29.700 0.173 0.000 0.781 493 E HN 0.560 nan 8.360 nan 0.000 0.456 494 K N 1.611 122.023 120.400 0.019 0.000 2.706 494 K HA 0.008 4.328 4.320 -0.000 0.000 0.217 494 K C -0.366 176.210 176.600 -0.040 0.000 1.019 494 K CA 0.135 56.425 56.287 0.005 0.000 1.181 494 K CB -0.232 32.288 32.500 0.033 0.000 0.940 494 K HN 0.156 nan 8.250 nan 0.000 0.491 495 D N 1.336 121.707 120.400 -0.049 0.000 2.359 495 D HA 0.056 4.695 4.640 -0.000 0.000 0.250 495 D C 0.999 177.225 176.300 -0.123 0.000 1.264 495 D CA -0.296 53.653 54.000 -0.086 0.000 0.911 495 D CB 0.383 41.152 40.800 -0.053 0.000 1.056 495 D HN -0.129 nan 8.370 nan 0.000 0.499 496 I N 3.781 124.229 120.570 -0.203 0.000 2.043 496 I HA -0.224 3.946 4.170 -0.000 0.000 0.231 496 I C 1.554 177.563 176.117 -0.180 0.000 1.024 496 I CA 1.233 62.396 61.300 -0.228 0.000 1.309 496 I CB -0.945 36.832 38.000 -0.372 0.000 1.030 496 I HN 0.334 nan 8.210 nan 0.000 0.389 497 V N 1.354 121.124 119.914 -0.240 0.000 3.214 497 V HA 0.223 4.343 4.120 -0.000 0.000 0.306 497 V C 0.716 176.728 176.094 -0.137 0.000 1.078 497 V CA -0.798 61.414 62.300 -0.147 0.000 1.077 497 V CB 1.081 32.751 31.823 -0.256 0.000 1.121 497 V HN 0.396 nan 8.190 nan 0.000 0.468 498 L N 3.093 124.291 121.223 -0.042 0.000 3.634 498 L HA -0.142 4.198 4.340 -0.000 0.000 0.423 498 L C 0.857 177.716 176.870 -0.018 0.000 1.253 498 L CA 0.480 55.297 54.840 -0.038 0.000 0.885 498 L CB -1.107 40.892 42.059 -0.100 0.000 1.789 498 L HN 0.874 nan 8.230 nan 0.000 0.904 499 R N 0.184 120.682 120.500 -0.003 0.000 2.643 499 R HA 0.159 4.499 4.340 -0.000 0.000 0.270 499 R C -1.400 174.913 176.300 0.022 0.000 1.061 499 R CA -1.131 54.969 56.100 0.000 0.000 1.107 499 R CB -0.027 30.272 30.300 -0.001 0.000 0.999 499 R HN -0.013 nan 8.270 nan 0.000 0.460 500 P HA -0.218 nan 4.420 nan 0.000 0.213 500 P C 0.410 177.746 177.300 0.061 0.000 1.170 500 P CA 1.564 64.709 63.100 0.075 0.000 0.902 500 P CB -0.005 31.795 31.700 0.166 0.000 0.789 501 E N -0.190 120.041 120.200 0.051 0.000 2.449 501 E HA -0.192 4.158 4.350 -0.000 0.000 0.206 501 E C 1.756 178.364 176.600 0.013 0.000 1.064 501 E CA 1.151 57.567 56.400 0.027 0.000 0.875 501 E CB -1.233 28.476 29.700 0.014 0.000 0.796 501 E HN 0.405 nan 8.360 nan 0.000 0.550 502 M N 0.379 119.988 119.600 0.014 0.000 2.618 502 M HA 0.067 4.547 4.480 -0.000 0.000 0.240 502 M C 1.194 177.490 176.300 -0.007 0.000 1.123 502 M CA 0.624 55.925 55.300 0.002 0.000 1.060 502 M CB 0.010 32.618 32.600 0.013 0.000 1.535 502 M HN 0.168 nan 8.290 nan 0.000 0.507 503 S N 0.966 116.669 115.700 0.005 0.000 2.438 503 S HA 0.012 4.482 4.470 -0.000 0.000 0.220 503 S C 1.564 176.162 174.600 -0.002 0.000 1.045 503 S CA 0.289 58.486 58.200 -0.005 0.000 0.940 503 S CB -0.405 62.807 63.200 0.020 0.000 0.863 503 S HN 0.457 nan 8.310 nan 0.000 0.539 504 K N 2.717 123.123 120.400 0.010 0.000 3.046 504 K HA -0.385 3.935 4.320 -0.000 0.000 0.195 504 K C 0.530 177.134 176.600 0.006 0.000 0.864 504 K CA 2.618 58.910 56.287 0.008 0.000 0.820 504 K CB -1.553 30.949 32.500 0.003 0.000 1.598 504 K HN 0.604 nan 8.250 nan 0.000 0.561 505 N N -0.103 118.602 118.700 0.007 0.000 2.235 505 N HA 0.227 4.967 4.740 -0.000 0.000 0.209 505 N C 1.148 176.691 175.510 0.054 0.000 1.122 505 N CA 0.230 53.290 53.050 0.017 0.000 0.845 505 N CB 0.328 38.825 38.487 0.016 0.000 1.004 505 N HN 0.196 nan 8.380 nan 0.000 0.499 506 M N 0.800 120.421 119.600 0.035 0.000 2.202 506 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 506 M C 1.299 177.655 176.300 0.093 0.000 1.063 506 M CA 1.417 56.746 55.300 0.049 0.000 1.097 506 M CB 0.066 32.641 32.600 -0.042 0.000 1.382 506 M HN 0.181 nan 8.290 nan 0.000 0.413 507 E N -0.096 120.125 120.200 0.036 0.000 2.265 507 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 507 E C 1.679 178.261 176.600 -0.029 0.000 0.996 507 E CA 0.838 57.237 56.400 -0.001 0.000 0.832 507 E CB -0.694 28.997 29.700 -0.014 0.000 0.756 507 E HN 0.568 nan 8.360 nan 0.000 0.491 508 K N 0.118 120.503 120.400 -0.025 0.000 2.211 508 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 508 K C 1.197 177.648 176.600 -0.247 0.000 1.047 508 K CA 1.317 57.509 56.287 -0.158 0.000 0.935 508 K CB -0.052 32.328 32.500 -0.198 0.000 0.728 508 K HN 0.202 nan 8.250 nan 0.000 0.452 509 W N 0.008 121.267 121.300 -0.067 0.000 2.735 509 W HA 0.270 4.930 4.660 -0.000 0.000 0.264 509 W C 0.320 176.806 176.519 -0.056 0.000 1.233 509 W CA -0.278 57.056 57.345 -0.018 0.000 1.408 509 W CB 0.635 30.160 29.460 0.108 0.000 1.038 509 W HN -0.187 nan 8.180 nan 0.000 0.603 510 I N 2.439 123.091 120.570 0.136 0.000 2.621 510 I HA 0.218 4.388 4.170 -0.000 0.000 0.276 510 I C -2.212 173.817 176.117 -0.147 0.000 1.118 510 I CA -2.086 59.206 61.300 -0.013 0.000 1.159 510 I CB 0.682 38.678 38.000 -0.007 0.000 1.357 510 I HN -0.456 nan 8.210 nan 0.000 0.513 511 P HA 0.213 nan 4.420 nan 0.000 0.274 511 P C 0.542 177.456 177.300 -0.643 0.000 1.246 511 P CA 0.157 62.873 63.100 -0.639 0.000 0.795 511 P CB 0.464 31.497 31.700 -1.112 0.000 1.006 512 F N -4.535 115.455 119.950 0.068 0.000 2.732 512 F HA -0.273 4.254 4.527 -0.000 0.000 0.443 512 F C 1.048 176.911 175.800 0.105 0.000 0.572 512 F CA -0.184 57.866 58.000 0.083 0.000 1.050 512 F CB -1.800 37.252 39.000 0.087 0.000 1.665 512 F HN 0.191 nan 8.300 nan 0.000 0.278 513 L N 4.179 125.510 121.223 0.179 0.000 2.700 513 L HA -0.009 4.330 4.340 -0.000 0.000 0.276 513 L C 0.766 177.730 176.870 0.158 0.000 1.200 513 L CA 0.542 55.478 54.840 0.160 0.000 0.951 513 L CB 0.289 42.396 42.059 0.081 0.000 1.226 513 L HN 0.015 nan 8.230 nan 0.000 0.489 514 K N 6.191 126.694 120.400 0.171 0.000 2.118 514 K HA 0.502 4.822 4.320 -0.000 0.000 0.264 514 K C -0.593 176.050 176.600 0.071 0.000 1.000 514 K CA -0.654 55.715 56.287 0.136 0.000 0.929 514 K CB 1.366 33.976 32.500 0.183 0.000 1.021 514 K HN 0.659 nan 8.250 nan 0.000 0.463 515 R N -0.428 120.112 120.500 0.066 0.000 2.888 515 R HA 0.621 4.961 4.340 -0.000 0.000 0.266 515 R C -0.418 175.913 176.300 0.052 0.000 1.020 515 R CA -1.077 55.055 56.100 0.053 0.000 0.963 515 R CB 2.068 32.414 30.300 0.076 0.000 1.197 515 R HN 0.766 nan 8.270 nan 0.000 0.481 516 G N 0.199 109.032 108.800 0.055 0.000 2.719 516 G HA2 0.399 4.359 3.960 -0.000 0.000 0.298 516 G HA3 0.399 4.359 3.960 -0.000 0.000 0.298 516 G C -1.956 173.013 174.900 0.115 0.000 1.411 516 G CA -0.207 44.935 45.100 0.071 0.000 0.991 516 G HN 0.473 nan 8.290 nan 0.000 0.509 517 H N 1.650 120.738 119.070 0.030 0.000 2.771 517 H HA 0.557 5.113 4.556 -0.000 0.000 0.361 517 H C -1.118 174.228 175.328 0.030 0.000 1.108 517 H CA -0.457 55.610 56.048 0.031 0.000 1.201 517 H CB 1.967 31.746 29.762 0.028 0.000 1.681 517 H HN 0.482 nan 8.280 nan 0.000 0.534 518 I N 2.349 122.815 120.570 -0.172 0.000 2.509 518 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 518 I C 0.052 176.169 176.117 -0.000 0.000 1.020 518 I CA -1.004 60.288 61.300 -0.014 0.000 1.088 518 I CB 2.394 40.371 38.000 -0.039 0.000 1.267 518 I HN 0.397 nan 8.210 nan 0.000 0.430 519 E N 2.988 123.253 120.200 0.109 0.000 2.314 519 E HA 0.145 4.495 4.350 -0.000 0.000 0.262 519 E C -0.267 176.368 176.600 0.059 0.000 1.093 519 E CA -0.049 56.420 56.400 0.115 0.000 0.908 519 E CB 0.497 30.264 29.700 0.111 0.000 1.091 519 E HN 0.581 nan 8.360 nan 0.000 0.425 520 D N -0.093 120.344 120.400 0.062 0.000 2.782 520 D HA -0.244 4.396 4.640 -0.000 0.000 0.231 520 D C -0.884 175.441 176.300 0.042 0.000 1.163 520 D CA 0.535 54.565 54.000 0.051 0.000 0.680 520 D CB -1.072 39.756 40.800 0.046 0.000 1.062 520 D HN 0.164 nan 8.370 nan 0.000 0.425 521 C N 0.348 119.663 119.300 0.025 0.000 2.322 521 C HA 0.601 5.061 4.460 -0.000 0.000 0.324 521 C C 1.505 176.503 174.990 0.014 0.000 1.284 521 C CA 0.071 59.097 59.018 0.014 0.000 1.606 521 C CB 0.650 28.378 27.740 -0.020 0.000 2.251 521 C HN 0.444 nan 8.230 nan 0.000 0.502 522 G N 2.213 111.038 108.800 0.042 0.000 2.679 522 G HA2 0.080 4.040 3.960 -0.000 0.000 0.202 522 G HA3 0.080 4.040 3.960 -0.000 0.000 0.202 522 G C 0.777 175.661 174.900 -0.027 0.000 1.566 522 G CA 0.520 45.634 45.100 0.024 0.000 1.074 522 G HN 0.882 nan 8.290 nan 0.000 0.564 523 H N -1.353 117.544 119.070 -0.288 0.000 2.465 523 H HA 0.089 4.645 4.556 -0.000 0.000 0.289 523 H C 0.674 175.860 175.328 -0.237 0.000 1.022 523 H CA 0.076 55.869 56.048 -0.426 0.000 1.340 523 H CB -0.031 29.231 29.762 -0.834 0.000 1.437 523 H HN 0.429 nan 8.280 nan 0.000 0.539 524 W N 2.313 123.654 121.300 0.068 0.000 1.438 524 W HA 0.193 4.853 4.660 -0.000 0.000 0.455 524 W C 0.913 177.364 176.519 -0.114 0.000 0.656 524 W CA -0.328 56.984 57.345 -0.055 0.000 2.049 524 W CB 0.189 29.688 29.460 0.065 0.000 1.683 524 W HN 0.061 nan 8.180 nan 0.000 0.228 525 T N 0.409 114.976 114.554 0.020 0.000 2.652 525 T HA -0.308 4.042 4.350 -0.000 0.000 0.267 525 T C 1.723 176.381 174.700 -0.069 0.000 1.039 525 T CA 1.829 63.917 62.100 -0.019 0.000 1.153 525 T CB -0.123 68.746 68.868 0.001 0.000 0.863 525 T HN 0.359 nan 8.240 nan 0.000 0.428 526 Q N 0.813 120.514 119.800 -0.166 0.000 2.197 526 Q HA -0.025 4.314 4.340 -0.000 0.000 0.207 526 Q C 2.012 177.918 176.000 -0.156 0.000 0.984 526 Q CA 1.390 57.095 55.803 -0.163 0.000 0.869 526 Q CB -0.598 27.928 28.738 -0.353 0.000 0.906 526 Q HN 0.572 nan 8.270 nan 0.000 0.426 527 I N -0.664 119.808 120.570 -0.163 0.000 3.462 527 I HA -0.023 4.147 4.170 -0.000 0.000 0.290 527 I C 2.196 178.210 176.117 -0.171 0.000 1.236 527 I CA 0.386 61.567 61.300 -0.198 0.000 1.418 527 I CB 0.034 37.908 38.000 -0.210 0.000 1.102 527 I HN 0.083 nan 8.210 nan 0.000 0.441 528 E N 1.300 121.462 120.200 -0.063 0.000 2.030 528 E HA -0.003 4.346 4.350 -0.000 0.000 0.189 528 E C 0.500 177.056 176.600 -0.073 0.000 0.974 528 E CA 0.860 57.243 56.400 -0.030 0.000 0.807 528 E CB 0.435 30.167 29.700 0.054 0.000 0.771 528 E HN 0.040 nan 8.360 nan 0.000 0.451 529 K N 0.878 121.239 120.400 -0.065 0.000 2.602 529 K HA 0.203 4.523 4.320 -0.000 0.000 0.201 529 K C -2.036 174.517 176.600 -0.078 0.000 1.070 529 K CA -1.984 54.266 56.287 -0.062 0.000 1.026 529 K CB 1.210 33.695 32.500 -0.025 0.000 1.534 529 K HN 0.072 nan 8.250 nan 0.000 0.560 530 P HA -0.180 nan 4.420 nan 0.000 0.213 530 P C 1.457 178.726 177.300 -0.052 0.000 1.170 530 P CA 1.447 64.462 63.100 -0.140 0.000 0.889 530 P CB 0.180 31.656 31.700 -0.375 0.000 0.782 531 T N 0.265 114.781 114.554 -0.063 0.000 2.653 531 T HA -0.209 4.140 4.350 -0.000 0.000 0.268 531 T C 1.845 176.552 174.700 0.011 0.000 1.035 531 T CA 2.197 64.289 62.100 -0.013 0.000 1.154 531 T CB -0.725 68.132 68.868 -0.019 0.000 0.862 531 T HN 0.198 nan 8.240 nan 0.000 0.441 532 E N 1.057 121.259 120.200 0.004 0.000 2.017 532 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 532 E C 2.450 179.072 176.600 0.037 0.000 0.997 532 E CA 1.389 57.803 56.400 0.023 0.000 0.804 532 E CB -1.314 28.396 29.700 0.017 0.000 0.757 532 E HN 0.504 nan 8.360 nan 0.000 0.448 533 V N 2.827 122.760 119.914 0.031 0.000 2.313 533 V HA -0.342 3.778 4.120 -0.000 0.000 0.253 533 V C 2.179 178.320 176.094 0.079 0.000 1.070 533 V CA 2.340 64.673 62.300 0.055 0.000 1.057 533 V CB -0.913 30.945 31.823 0.058 0.000 0.653 533 V HN 0.220 nan 8.190 nan 0.000 0.450 534 N N 0.003 118.748 118.700 0.075 0.000 2.006 534 N HA -0.181 4.559 4.740 -0.000 0.000 0.196 534 N C 1.859 177.420 175.510 0.085 0.000 1.057 534 N CA 1.824 54.926 53.050 0.086 0.000 0.853 534 N CB -0.663 37.871 38.487 0.078 0.000 1.051 534 N HN 0.630 nan 8.380 nan 0.000 0.423 535 Q N 0.518 120.361 119.800 0.072 0.000 1.991 535 Q HA -0.221 4.118 4.340 -0.000 0.000 0.213 535 Q C 2.210 178.268 176.000 0.098 0.000 1.022 535 Q CA 2.040 57.889 55.803 0.076 0.000 0.877 535 Q CB -0.722 28.053 28.738 0.061 0.000 0.970 535 Q HN 0.390 nan 8.270 nan 0.000 0.414 536 I N 0.695 121.321 120.570 0.093 0.000 2.113 536 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 536 I C 2.478 178.695 176.117 0.167 0.000 1.057 536 I CA 1.523 62.889 61.300 0.111 0.000 1.314 536 I CB -0.573 37.473 38.000 0.077 0.000 1.022 536 I HN 0.187 nan 8.210 nan 0.000 0.408 537 L N -0.060 121.256 121.223 0.156 0.000 1.989 537 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 537 L C 2.570 179.584 176.870 0.241 0.000 1.071 537 L CA 1.608 56.584 54.840 0.227 0.000 0.749 537 L CB -0.406 41.744 42.059 0.153 0.000 0.890 537 L HN 0.189 nan 8.230 nan 0.000 0.431 538 I N -0.217 120.438 120.570 0.141 0.000 2.052 538 I HA -0.351 3.818 4.170 -0.000 0.000 0.235 538 I C 2.467 178.656 176.117 0.121 0.000 1.046 538 I CA 1.503 62.867 61.300 0.106 0.000 1.308 538 I CB -0.238 37.824 38.000 0.103 0.000 1.031 538 I HN 0.085 nan 8.210 nan 0.000 0.395 539 K N -0.104 120.376 120.400 0.133 0.000 2.189 539 K HA -0.279 4.041 4.320 -0.000 0.000 0.207 539 K C 1.522 178.222 176.600 0.166 0.000 1.046 539 K CA 1.750 58.114 56.287 0.129 0.000 0.928 539 K CB -0.611 31.964 32.500 0.125 0.000 0.720 539 K HN 0.500 nan 8.250 nan 0.000 0.458 540 W N 0.939 122.257 121.300 0.031 0.000 2.381 540 W HA -0.122 4.538 4.660 -0.000 0.000 0.321 540 W C 1.379 177.912 176.519 0.022 0.000 1.196 540 W CA 1.308 58.670 57.345 0.028 0.000 1.304 540 W CB -0.778 28.693 29.460 0.018 0.000 1.166 540 W HN -0.031 nan 8.180 nan 0.000 0.473 541 L N 0.840 121.833 121.223 -0.383 0.000 2.043 541 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 541 L C 2.698 179.430 176.870 -0.229 0.000 1.075 541 L CA 2.247 56.728 54.840 -0.599 0.000 0.752 541 L CB -1.520 40.230 42.059 -0.516 0.000 0.891 541 L HN 0.126 nan 8.230 nan 0.000 0.432 542 Q N -0.172 119.600 119.800 -0.046 0.000 2.062 542 Q HA -0.225 4.115 4.340 -0.000 0.000 0.209 542 Q C 1.735 177.722 176.000 -0.022 0.000 0.996 542 Q CA 2.320 58.136 55.803 0.022 0.000 0.859 542 Q CB -0.187 28.583 28.738 0.053 0.000 0.920 542 Q HN 0.629 nan 8.270 nan 0.000 0.415 543 T N -1.250 113.283 114.554 -0.034 0.000 3.473 543 T HA 0.099 4.449 4.350 -0.000 0.000 0.247 543 T C -0.307 174.353 174.700 -0.067 0.000 1.010 543 T CA 0.147 62.235 62.100 -0.021 0.000 0.940 543 T CB -0.429 68.461 68.868 0.036 0.000 1.068 543 T HN 0.433 nan 8.240 nan 0.000 0.604 544 E N 0.000 120.122 120.200 -0.130 0.000 2.725 544 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 544 E CA 0.000 56.312 56.400 -0.147 0.000 0.976 544 E CB 0.000 29.581 29.700 -0.199 0.000 0.812 544 E HN 0.000 nan 8.360 nan 0.000 0.440