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 1gyt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEFSVKSGSP EKQRSACIVV GVFEPRRLSP IAEQLDKISD GYISALLRRG DATA SEQUENCE ELEGKPGQTL LLHHVPNVLS ERILLIGCGK ERELDERQYK QVIQKTINTL DATA SEQUENCE NDTGSMEAVC FLTELHVKGR NNYWKVRQAV ETAKETLYSF DQLKTNKSEP DATA SEQUENCE RRPLRKMVFN VPTRRELTSG ERAIQHGLAI AAGIKAAKDL GNMPPNICNA DATA SEQUENCE AYLASQARQL ADSYSKNVIT RVIGEQQMKE LGMHSYLAVG QGSQNESLMS DATA SEQUENCE VIEYKGNASE DARPIVLVGK GLTFDSGGIS IKPSEGMDEM KYDMCGAAAV DATA SEQUENCE YGVMRMVAEL QLPINVIGVL AGCENMPGGR AYRPGDVLTT MSGQTVEVLN DATA SEQUENCE TDAEGRLVLC DVLTYVERFE PEAVIDVATL TGACVIALGH HITGLMANHN DATA SEQUENCE PLAHELIAAS EQSGDRAWRL PLGDEYQEQL ESNFADMANI GGRPGGAITA DATA SEQUENCE GCFLSRFTRK YNWAHLDIAG TAWRSGKAKG ATGRPVALLA QFLLNRAGFN DATA SEQUENCE GEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.116 176.300 -0.306 0.000 1.140 1 M CA 0.000 55.181 55.300 -0.198 0.000 0.988 1 M CB 0.000 32.411 32.600 -0.315 0.000 1.302 2 E N 0.313 120.265 120.200 -0.413 0.000 2.250 2 E HA 0.808 5.158 4.350 0.001 0.000 0.265 2 E C -1.774 174.404 176.600 -0.703 0.000 1.033 2 E CA -0.510 55.686 56.400 -0.340 0.000 0.888 2 E CB 1.721 31.314 29.700 -0.179 0.000 1.151 2 E HN 0.428 nan 8.360 nan 0.000 0.412 3 F N 0.029 119.955 119.950 -0.040 0.000 2.613 3 F HA 0.438 4.966 4.527 0.001 0.000 0.310 3 F C -0.076 175.698 175.800 -0.043 0.000 1.085 3 F CA -0.563 57.398 58.000 -0.065 0.000 0.945 3 F CB 2.225 41.257 39.000 0.053 0.000 1.298 3 F HN 0.463 nan 8.300 nan 0.000 0.455 4 S N 0.372 116.148 115.700 0.126 0.000 2.587 4 S HA 0.847 5.318 4.470 0.001 0.000 0.269 4 S C -1.571 173.073 174.600 0.073 0.000 1.154 4 S CA -0.740 57.504 58.200 0.074 0.000 0.824 4 S CB 1.367 64.569 63.200 0.004 0.000 1.118 4 S HN 1.224 nan 8.310 nan 0.000 0.462 5 V N -1.090 118.864 119.914 0.067 0.000 2.960 5 V HA 0.942 5.062 4.120 0.001 0.000 0.315 5 V C -0.888 175.218 176.094 0.020 0.000 1.087 5 V CA -0.799 61.542 62.300 0.068 0.000 0.982 5 V CB 1.376 33.255 31.823 0.094 0.000 1.039 5 V HN 1.195 nan 8.190 nan 0.000 0.437 6 K N 0.844 121.245 120.400 0.001 0.000 2.533 6 K HA 0.684 5.004 4.320 0.001 0.000 0.284 6 K C -1.323 175.278 176.600 0.002 0.000 1.025 6 K CA -0.703 55.581 56.287 -0.005 0.000 0.900 6 K CB 2.222 34.707 32.500 -0.024 0.000 1.519 6 K HN 0.726 nan 8.250 nan 0.000 0.432 7 S N 0.196 115.910 115.700 0.023 0.000 2.664 7 S HA 0.669 5.139 4.470 0.001 0.000 0.262 7 S C -0.938 173.705 174.600 0.072 0.000 1.229 7 S CA -0.444 57.786 58.200 0.050 0.000 1.151 7 S CB 0.692 63.923 63.200 0.051 0.000 1.054 7 S HN 0.745 nan 8.310 nan 0.000 0.483 8 G N 1.726 110.596 108.800 0.117 0.000 2.754 8 G HA2 0.671 4.632 3.960 0.001 0.000 0.291 8 G HA3 0.671 4.632 3.960 0.001 0.000 0.291 8 G C -0.793 174.264 174.900 0.261 0.000 1.411 8 G CA -0.503 44.686 45.100 0.148 0.000 0.813 8 G HN 0.849 nan 8.290 nan 0.000 0.496 9 S N -0.463 115.357 115.700 0.200 0.000 2.690 9 S HA 0.649 5.119 4.470 0.001 0.000 0.291 9 S C -1.871 172.791 174.600 0.103 0.000 1.138 9 S CA -1.131 57.158 58.200 0.149 0.000 1.013 9 S CB 2.697 65.925 63.200 0.047 0.000 1.053 9 S HN 0.177 nan 8.310 nan 0.000 0.539 10 P HA -0.182 nan 4.420 nan 0.000 0.213 10 P C 1.606 178.846 177.300 -0.101 0.000 1.170 10 P CA 1.545 64.395 63.100 -0.417 0.000 0.898 10 P CB -0.144 31.146 31.700 -0.682 0.000 0.787 11 E N 0.874 121.017 120.200 -0.096 0.000 2.284 11 E HA -0.242 4.109 4.350 0.001 0.000 0.200 11 E C 0.990 177.585 176.600 -0.008 0.000 1.008 11 E CA 1.484 57.857 56.400 -0.045 0.000 0.829 11 E CB -0.896 28.780 29.700 -0.039 0.000 0.744 11 E HN 0.391 nan 8.360 nan 0.000 0.491 12 K N 0.382 120.794 120.400 0.020 0.000 2.358 12 K HA 0.114 4.434 4.320 0.001 0.000 0.197 12 K C 0.408 177.038 176.600 0.050 0.000 1.025 12 K CA -0.175 56.132 56.287 0.034 0.000 1.104 12 K CB 0.490 33.015 32.500 0.041 0.000 0.855 12 K HN 0.048 nan 8.250 nan 0.000 0.531 13 Q N 1.065 120.909 119.800 0.073 0.000 2.306 13 Q HA 0.187 4.528 4.340 0.001 0.000 0.241 13 Q C -0.053 175.968 176.000 0.036 0.000 0.948 13 Q CA 0.241 56.091 55.803 0.077 0.000 0.886 13 Q CB 0.984 29.807 28.738 0.141 0.000 1.227 13 Q HN 0.080 nan 8.270 nan 0.000 0.457 14 R N 0.668 121.180 120.500 0.020 0.000 2.748 14 R HA 0.318 4.659 4.340 0.001 0.000 0.283 14 R C -0.345 175.952 176.300 -0.006 0.000 1.507 14 R CA -0.182 55.919 56.100 0.001 0.000 1.666 14 R CB 1.026 31.325 30.300 -0.003 0.000 1.237 14 R HN 0.458 nan 8.270 nan 0.000 0.633 15 S N -0.402 115.296 115.700 -0.003 0.000 2.664 15 S HA 0.532 5.002 4.470 0.001 0.000 0.304 15 S C 1.203 175.788 174.600 -0.024 0.000 1.099 15 S CA -0.249 57.942 58.200 -0.014 0.000 1.003 15 S CB 1.684 64.880 63.200 -0.006 0.000 1.092 15 S HN 0.484 nan 8.310 nan 0.000 0.525 16 A N 0.815 123.616 122.820 -0.032 0.000 2.067 16 A HA 0.213 4.534 4.320 0.001 0.000 0.219 16 A C 1.035 178.597 177.584 -0.038 0.000 1.158 16 A CA 0.931 52.947 52.037 -0.034 0.000 0.661 16 A CB -0.894 18.086 19.000 -0.033 0.000 0.801 16 A HN 1.024 nan 8.150 nan 0.000 0.452 17 C N -0.434 118.848 119.300 -0.030 0.000 3.199 17 C HA 0.547 5.007 4.460 0.001 0.000 0.392 17 C C -1.217 173.780 174.990 0.012 0.000 1.050 17 C CA -1.137 57.865 59.018 -0.026 0.000 1.222 17 C CB 0.302 28.021 27.740 -0.035 0.000 1.595 17 C HN 0.587 nan 8.230 nan 0.000 0.560 18 I N 3.333 123.927 120.570 0.040 0.000 2.562 18 I HA 0.881 5.051 4.170 0.001 0.000 0.301 18 I C -0.765 175.429 176.117 0.129 0.000 1.003 18 I CA -0.700 60.681 61.300 0.135 0.000 1.127 18 I CB 1.785 39.892 38.000 0.178 0.000 1.304 18 I HN 0.333 nan 8.210 nan 0.000 0.446 19 V N 5.678 125.723 119.914 0.218 0.000 2.378 19 V HA 0.548 4.669 4.120 0.001 0.000 0.288 19 V C 0.162 176.397 176.094 0.235 0.000 1.016 19 V CA -0.527 61.874 62.300 0.169 0.000 0.840 19 V CB 1.425 33.322 31.823 0.124 0.000 0.994 19 V HN 0.695 nan 8.190 nan 0.000 0.431 20 V N 2.026 122.008 119.914 0.115 0.000 3.046 20 V HA 1.059 5.179 4.120 0.001 0.000 0.316 20 V C 0.414 176.516 176.094 0.013 0.000 1.104 20 V CA -0.457 61.890 62.300 0.077 0.000 1.006 20 V CB 1.743 33.556 31.823 -0.017 0.000 1.058 20 V HN 0.833 nan 8.190 nan 0.000 0.440 21 G N -0.144 108.635 108.800 -0.036 0.000 2.511 21 G HA2 0.676 4.637 3.960 0.001 0.000 0.316 21 G HA3 0.676 4.637 3.960 0.001 0.000 0.316 21 G C -1.205 173.542 174.900 -0.255 0.000 1.210 21 G CA -0.878 44.114 45.100 -0.181 0.000 0.969 21 G HN 1.187 nan 8.290 nan 0.000 0.492 22 V N 0.001 119.680 119.914 -0.393 0.000 2.817 22 V HA 0.428 4.548 4.120 0.001 0.000 0.303 22 V C -1.200 174.674 176.094 -0.367 0.000 1.151 22 V CA -0.631 61.508 62.300 -0.269 0.000 0.929 22 V CB 1.478 33.245 31.823 -0.094 0.000 1.030 22 V HN 0.616 nan 8.190 nan 0.000 0.427 23 F N 0.997 120.968 119.950 0.035 0.000 2.457 23 F HA 0.582 5.109 4.527 0.001 0.000 0.330 23 F C 0.825 176.640 175.800 0.025 0.000 1.069 23 F CA -0.857 57.164 58.000 0.034 0.000 1.009 23 F CB 0.965 39.986 39.000 0.034 0.000 1.276 23 F HN 0.406 nan 8.300 nan 0.000 0.492 24 E N 1.347 121.687 120.200 0.235 0.000 2.331 24 E HA 0.290 4.641 4.350 0.001 0.000 0.272 24 E C -2.461 174.211 176.600 0.120 0.000 1.036 24 E CA -1.784 54.694 56.400 0.131 0.000 0.864 24 E CB 0.561 30.319 29.700 0.096 0.000 1.035 24 E HN 0.180 nan 8.360 nan 0.000 0.408 25 P HA 0.108 nan 4.420 nan 0.000 0.297 25 P C -0.897 176.441 177.300 0.064 0.000 1.319 25 P CA -0.562 62.575 63.100 0.061 0.000 0.810 25 P CB 0.743 32.467 31.700 0.040 0.000 0.947 26 R N 1.448 121.982 120.500 0.056 0.000 3.653 26 R HA -0.275 4.065 4.340 0.001 0.000 0.258 26 R C -0.082 176.255 176.300 0.062 0.000 1.104 26 R CA 0.732 56.860 56.100 0.046 0.000 0.730 26 R CB -1.517 28.799 30.300 0.027 0.000 1.090 26 R HN 0.378 nan 8.270 nan 0.000 0.490 27 R N 1.596 122.157 120.500 0.102 0.000 2.220 27 R HA 0.153 4.494 4.340 0.001 0.000 0.340 27 R C -0.175 176.228 176.300 0.171 0.000 1.076 27 R CA -0.698 55.479 56.100 0.128 0.000 0.920 27 R CB 0.513 30.901 30.300 0.145 0.000 1.062 27 R HN 0.227 nan 8.270 nan 0.000 0.469 28 L N 3.786 125.076 121.223 0.111 0.000 2.513 28 L HA 0.004 4.344 4.340 0.001 0.000 0.272 28 L C 0.274 177.239 176.870 0.158 0.000 1.187 28 L CA 0.782 55.680 54.840 0.096 0.000 0.895 28 L CB 0.937 43.029 42.059 0.054 0.000 1.147 28 L HN 0.580 nan 8.230 nan 0.000 0.483 29 S N 6.119 121.918 115.700 0.166 0.000 2.546 29 S HA 0.131 4.602 4.470 0.001 0.000 0.290 29 S C -1.414 173.277 174.600 0.152 0.000 1.290 29 S CA -0.580 57.780 58.200 0.266 0.000 1.069 29 S CB 0.572 63.865 63.200 0.154 0.000 0.846 29 S HN 0.695 nan 8.310 nan 0.000 0.495 30 P HA -0.158 nan 4.420 nan 0.000 0.217 30 P C 1.196 178.523 177.300 0.043 0.000 1.151 30 P CA 1.441 64.588 63.100 0.078 0.000 0.849 30 P CB -0.013 31.730 31.700 0.072 0.000 0.787 31 I N -1.523 119.076 120.570 0.049 0.000 2.394 31 I HA -0.211 3.960 4.170 0.001 0.000 0.251 31 I C 2.134 178.192 176.117 -0.099 0.000 1.136 31 I CA 1.395 62.682 61.300 -0.022 0.000 1.425 31 I CB -0.595 37.400 38.000 -0.009 0.000 1.079 31 I HN -0.048 nan 8.210 nan 0.000 0.425 32 A N 1.075 123.863 122.820 -0.054 0.000 2.030 32 A HA -0.106 4.214 4.320 0.001 0.000 0.215 32 A C 2.153 179.718 177.584 -0.031 0.000 1.164 32 A CA 0.681 52.679 52.037 -0.066 0.000 0.697 32 A CB -0.396 18.584 19.000 -0.035 0.000 0.827 32 A HN 0.562 nan 8.150 nan 0.000 0.457 33 E N -0.145 120.054 120.200 -0.002 0.000 2.338 33 E HA -0.227 4.124 4.350 0.001 0.000 0.197 33 E C 1.811 178.407 176.600 -0.007 0.000 1.007 33 E CA 0.954 57.358 56.400 0.007 0.000 0.849 33 E CB -0.360 29.352 29.700 0.020 0.000 0.774 33 E HN 0.744 nan 8.360 nan 0.000 0.506 34 Q N 0.539 120.325 119.800 -0.024 0.000 2.002 34 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 34 Q C 2.277 178.254 176.000 -0.039 0.000 0.988 34 Q CA 1.561 57.345 55.803 -0.033 0.000 0.843 34 Q CB -0.109 28.595 28.738 -0.058 0.000 0.908 34 Q HN 0.328 nan 8.270 nan 0.000 0.420 35 L N 1.252 122.437 121.223 -0.063 0.000 2.131 35 L HA -0.188 4.152 4.340 0.001 0.000 0.210 35 L C 1.924 178.780 176.870 -0.023 0.000 1.092 35 L CA 1.934 56.738 54.840 -0.061 0.000 0.759 35 L CB -0.655 41.344 42.059 -0.100 0.000 0.903 35 L HN 0.299 nan 8.230 nan 0.000 0.435 36 D N -0.046 120.352 120.400 -0.004 0.000 2.104 36 D HA -0.255 4.386 4.640 0.001 0.000 0.194 36 D C 1.676 177.993 176.300 0.028 0.000 0.994 36 D CA 1.252 55.270 54.000 0.029 0.000 0.830 36 D CB 0.032 40.851 40.800 0.032 0.000 0.959 36 D HN 0.399 nan 8.370 nan 0.000 0.452 37 K N -0.099 120.309 120.400 0.014 0.000 2.633 37 K HA -0.059 4.262 4.320 0.001 0.000 0.193 37 K C 1.248 177.852 176.600 0.007 0.000 1.033 37 K CA 0.034 56.329 56.287 0.013 0.000 0.980 37 K CB 0.355 32.858 32.500 0.006 0.000 0.800 37 K HN 0.312 nan 8.250 nan 0.000 0.493 38 I N -0.663 119.908 120.570 0.001 0.000 4.035 38 I HA -0.059 4.111 4.170 0.001 0.000 0.321 38 I C 1.500 177.609 176.117 -0.012 0.000 1.289 38 I CA 0.805 62.100 61.300 -0.009 0.000 1.236 38 I CB 0.307 38.295 38.000 -0.021 0.000 1.076 38 I HN -0.019 nan 8.210 nan 0.000 0.418 39 S N -0.891 114.808 115.700 -0.001 0.000 2.578 39 S HA 0.092 4.562 4.470 0.001 0.000 0.231 39 S C 0.435 175.068 174.600 0.054 0.000 0.994 39 S CA -0.365 57.829 58.200 -0.010 0.000 0.956 39 S CB 0.140 63.316 63.200 -0.039 0.000 0.870 39 S HN 0.418 nan 8.310 nan 0.000 0.494 40 D N 1.817 122.247 120.400 0.049 0.000 4.028 40 D HA -0.159 4.482 4.640 0.001 0.000 0.233 40 D C 1.061 177.414 176.300 0.088 0.000 1.080 40 D CA 1.173 55.207 54.000 0.057 0.000 1.181 40 D CB -1.324 39.503 40.800 0.045 0.000 0.815 40 D HN 0.981 nan 8.370 nan 0.000 0.401 41 G N 2.949 111.794 108.800 0.074 0.000 2.225 41 G HA2 -0.432 3.528 3.960 0.001 0.000 0.272 41 G HA3 -0.432 3.528 3.960 0.001 0.000 0.272 41 G C 0.726 175.684 174.900 0.097 0.000 0.996 41 G CA 1.299 46.440 45.100 0.069 0.000 0.710 41 G HN 0.698 nan 8.290 nan 0.000 0.522 42 Y N 0.521 120.824 120.300 0.005 0.000 2.070 42 Y HA -0.070 4.481 4.550 0.001 0.000 0.280 42 Y C 2.779 178.683 175.900 0.007 0.000 1.148 42 Y CA 2.294 60.399 58.100 0.008 0.000 1.125 42 Y CB -0.322 38.144 38.460 0.010 0.000 0.975 42 Y HN 0.333 nan 8.280 nan 0.000 0.492 43 I N -0.257 120.425 120.570 0.187 0.000 2.226 43 I HA -0.341 3.830 4.170 0.001 0.000 0.245 43 I C 2.512 178.628 176.117 -0.001 0.000 1.100 43 I CA 1.706 63.053 61.300 0.078 0.000 1.374 43 I CB -0.628 37.431 38.000 0.098 0.000 1.057 43 I HN 0.327 nan 8.210 nan 0.000 0.413 44 S N 1.144 116.851 115.700 0.013 0.000 2.402 44 S HA -0.063 4.408 4.470 0.001 0.000 0.229 44 S C 2.197 176.780 174.600 -0.028 0.000 1.021 44 S CA 0.694 58.894 58.200 -0.000 0.000 0.974 44 S CB -0.512 62.697 63.200 0.014 0.000 0.800 44 S HN 0.416 nan 8.310 nan 0.000 0.484 45 A N 2.616 125.402 122.820 -0.057 0.000 1.845 45 A HA 0.102 4.422 4.320 0.001 0.000 0.215 45 A C 2.292 179.812 177.584 -0.108 0.000 1.195 45 A CA 1.498 53.484 52.037 -0.084 0.000 0.616 45 A CB -1.038 17.889 19.000 -0.122 0.000 0.832 45 A HN 0.505 nan 8.150 nan 0.000 0.443 46 L N -0.461 120.662 121.223 -0.167 0.000 2.127 46 L HA -0.197 4.144 4.340 0.001 0.000 0.211 46 L C 2.468 179.295 176.870 -0.072 0.000 1.089 46 L CA 0.912 55.667 54.840 -0.142 0.000 0.757 46 L CB -0.534 41.417 42.059 -0.179 0.000 0.899 46 L HN 0.381 nan 8.230 nan 0.000 0.434 47 L N -0.768 120.425 121.223 -0.050 0.000 2.141 47 L HA -0.147 4.194 4.340 0.001 0.000 0.209 47 L C 2.756 179.615 176.870 -0.018 0.000 1.094 47 L CA 0.989 55.815 54.840 -0.022 0.000 0.763 47 L CB -0.435 41.621 42.059 -0.006 0.000 0.908 47 L HN 0.251 nan 8.230 nan 0.000 0.437 48 R N -0.146 120.339 120.500 -0.025 0.000 2.115 48 R HA -0.079 4.262 4.340 0.001 0.000 0.230 48 R C 2.204 178.492 176.300 -0.021 0.000 1.111 48 R CA 0.757 56.846 56.100 -0.019 0.000 0.976 48 R CB -0.183 30.105 30.300 -0.021 0.000 0.870 48 R HN 0.358 nan 8.270 nan 0.000 0.445 49 R N -0.311 120.170 120.500 -0.032 0.000 2.235 49 R HA -0.001 4.339 4.340 0.001 0.000 0.213 49 R C 0.932 177.221 176.300 -0.019 0.000 1.059 49 R CA 0.838 56.921 56.100 -0.028 0.000 0.997 49 R CB 0.298 30.573 30.300 -0.041 0.000 0.884 49 R HN 0.450 nan 8.270 nan 0.000 0.462 50 G N 0.915 109.705 108.800 -0.016 0.000 2.138 50 G HA2 -0.168 3.793 3.960 0.001 0.000 0.193 50 G HA3 -0.168 3.793 3.960 0.001 0.000 0.193 50 G C 0.371 175.266 174.900 -0.008 0.000 0.998 50 G CA -0.178 44.917 45.100 -0.008 0.000 0.668 50 G HN 0.222 nan 8.290 nan 0.000 0.516 51 E N -0.392 119.800 120.200 -0.015 0.000 2.516 51 E HA 0.169 4.520 4.350 0.001 0.000 0.199 51 E C 1.055 177.653 176.600 -0.005 0.000 1.069 51 E CA 0.556 56.949 56.400 -0.011 0.000 0.876 51 E CB 0.371 30.058 29.700 -0.022 0.000 0.843 51 E HN 0.686 nan 8.360 nan 0.000 0.530 52 L N 0.867 122.089 121.223 -0.003 0.000 2.868 52 L HA 0.047 4.387 4.340 0.001 0.000 0.235 52 L C 0.322 177.195 176.870 0.005 0.000 0.993 52 L CA -0.056 54.783 54.840 0.000 0.000 1.070 52 L CB 0.968 43.025 42.059 -0.004 0.000 1.371 52 L HN -0.266 nan 8.230 nan 0.000 0.554 53 E N 1.916 122.122 120.200 0.009 0.000 2.267 53 E HA -0.043 4.307 4.350 0.001 0.000 0.197 53 E C 1.518 178.133 176.600 0.025 0.000 0.998 53 E CA 1.217 57.628 56.400 0.017 0.000 0.830 53 E CB 0.242 29.953 29.700 0.018 0.000 0.751 53 E HN 0.935 nan 8.360 nan 0.000 0.491 54 G N 1.182 109.989 108.800 0.012 0.000 2.141 54 G HA2 -0.295 3.666 3.960 0.001 0.000 0.242 54 G HA3 -0.295 3.666 3.960 0.001 0.000 0.242 54 G C 0.069 174.977 174.900 0.013 0.000 0.982 54 G CA 0.296 45.398 45.100 0.004 0.000 0.662 54 G HN 0.249 nan 8.290 nan 0.000 0.527 55 K N 1.003 121.414 120.400 0.019 0.000 2.298 55 K HA 0.388 4.708 4.320 0.001 0.000 0.280 55 K C -2.383 174.225 176.600 0.013 0.000 1.032 55 K CA -1.755 54.547 56.287 0.025 0.000 0.958 55 K CB 0.726 33.240 32.500 0.023 0.000 0.978 55 K HN -0.023 nan 8.250 nan 0.000 0.472 56 P HA -0.132 nan 4.420 nan 0.000 0.256 56 P C 0.498 177.803 177.300 0.008 0.000 1.173 56 P CA 1.155 64.263 63.100 0.013 0.000 0.768 56 P CB 0.302 32.017 31.700 0.025 0.000 0.758 57 G N 2.400 111.201 108.800 0.001 0.000 2.316 57 G HA2 -0.178 3.783 3.960 0.001 0.000 0.203 57 G HA3 -0.178 3.783 3.960 0.001 0.000 0.203 57 G C 0.060 174.962 174.900 0.003 0.000 0.999 57 G CA -0.519 44.583 45.100 0.003 0.000 0.649 57 G HN 0.518 nan 8.290 nan 0.000 0.489 58 Q N 1.544 121.345 119.800 0.001 0.000 2.288 58 Q HA 0.550 4.890 4.340 0.001 0.000 0.254 58 Q C 0.404 176.402 176.000 -0.003 0.000 0.932 58 Q CA 0.699 56.503 55.803 0.002 0.000 0.902 58 Q CB 1.318 30.057 28.738 0.002 0.000 1.203 58 Q HN 0.547 nan 8.270 nan 0.000 0.415 59 T N -0.758 113.797 114.554 0.002 0.000 2.887 59 T HA 0.741 5.091 4.350 0.001 0.000 0.292 59 T C -1.364 173.340 174.700 0.007 0.000 1.087 59 T CA -0.934 61.167 62.100 0.002 0.000 1.009 59 T CB 1.400 70.273 68.868 0.007 0.000 1.203 59 T HN 0.344 nan 8.240 nan 0.000 0.518 60 L N 1.479 122.707 121.223 0.007 0.000 2.580 60 L HA 0.693 5.034 4.340 0.001 0.000 0.266 60 L C -1.946 174.931 176.870 0.011 0.000 0.955 60 L CA -0.808 54.040 54.840 0.014 0.000 0.886 60 L CB 1.657 43.722 42.059 0.010 0.000 1.263 60 L HN 0.873 nan 8.230 nan 0.000 0.406 61 L N 5.682 126.916 121.223 0.019 0.000 2.289 61 L HA 0.721 5.062 4.340 0.001 0.000 0.285 61 L C -1.425 175.438 176.870 -0.012 0.000 1.049 61 L CA -0.079 54.751 54.840 -0.016 0.000 0.804 61 L CB 1.284 43.347 42.059 0.007 0.000 1.195 61 L HN 0.625 nan 8.230 nan 0.000 0.428 62 L N 5.104 126.274 121.223 -0.087 0.000 2.385 62 L HA 0.502 4.843 4.340 0.001 0.000 0.273 62 L C -0.961 175.804 176.870 -0.175 0.000 0.990 62 L CA -0.752 54.083 54.840 -0.008 0.000 0.821 62 L CB 1.784 43.904 42.059 0.102 0.000 1.279 62 L HN 0.641 nan 8.230 nan 0.000 0.412 63 H N 0.121 119.260 119.070 0.116 0.000 2.567 63 H HA 0.393 4.949 4.556 0.001 0.000 0.345 63 H C -0.537 174.883 175.328 0.153 0.000 1.169 63 H CA -0.627 55.486 56.048 0.109 0.000 1.227 63 H CB 0.843 30.731 29.762 0.210 0.000 1.607 63 H HN 0.524 nan 8.280 nan 0.000 0.534 64 H N -1.323 117.794 119.070 0.080 0.000 2.445 64 H HA -0.140 4.417 4.556 0.001 0.000 0.322 64 H C -0.657 174.586 175.328 -0.142 0.000 1.053 64 H CA 0.225 56.266 56.048 -0.013 0.000 1.109 64 H CB -1.940 27.829 29.762 0.011 0.000 1.546 64 H HN 0.141 nan 8.280 nan 0.000 0.397 65 V N 1.051 120.886 119.914 -0.132 0.000 2.529 65 V HA 0.067 4.188 4.120 0.001 0.000 0.292 65 V C -1.404 174.483 176.094 -0.345 0.000 1.028 65 V CA -1.352 60.715 62.300 -0.388 0.000 1.074 65 V CB 0.724 32.404 31.823 -0.239 0.000 0.958 65 V HN 0.241 nan 8.190 nan 0.000 0.481 66 P HA -0.096 nan 4.420 nan 0.000 0.248 66 P C 0.262 177.475 177.300 -0.144 0.000 1.127 66 P CA 0.724 63.670 63.100 -0.256 0.000 0.801 66 P CB -0.246 31.300 31.700 -0.257 0.000 0.732 67 N N -0.010 118.635 118.700 -0.090 0.000 2.727 67 N HA -0.145 4.595 4.740 0.001 0.000 0.249 67 N C -0.606 174.868 175.510 -0.059 0.000 1.048 67 N CA 0.646 53.661 53.050 -0.058 0.000 0.714 67 N CB -1.564 36.899 38.487 -0.040 0.000 0.959 67 N HN 0.171 nan 8.380 nan 0.000 0.544 68 V N 0.917 120.788 119.914 -0.073 0.000 2.513 68 V HA 0.256 4.377 4.120 0.001 0.000 0.299 68 V C 1.908 177.970 176.094 -0.054 0.000 1.035 68 V CA -0.728 61.534 62.300 -0.063 0.000 0.889 68 V CB 2.045 33.822 31.823 -0.076 0.000 0.988 68 V HN 0.170 nan 8.190 nan 0.000 0.440 69 L N 2.183 123.384 121.223 -0.038 0.000 2.191 69 L HA -0.063 4.278 4.340 0.001 0.000 0.212 69 L C 1.163 178.012 176.870 -0.035 0.000 1.103 69 L CA 1.137 55.959 54.840 -0.030 0.000 0.769 69 L CB -0.038 42.013 42.059 -0.015 0.000 0.908 69 L HN 0.620 nan 8.230 nan 0.000 0.438 70 S N -0.481 115.197 115.700 -0.037 0.000 2.554 70 S HA 0.070 4.540 4.470 0.001 0.000 0.278 70 S C 1.042 175.598 174.600 -0.072 0.000 1.242 70 S CA -0.637 57.538 58.200 -0.040 0.000 1.051 70 S CB 1.400 64.588 63.200 -0.019 0.000 0.986 70 S HN 0.292 nan 8.310 nan 0.000 0.502 71 E N 2.003 122.155 120.200 -0.081 0.000 2.409 71 E HA -0.041 4.310 4.350 0.001 0.000 0.198 71 E C 0.063 176.580 176.600 -0.138 0.000 1.024 71 E CA 0.698 57.026 56.400 -0.120 0.000 0.861 71 E CB 0.146 29.788 29.700 -0.097 0.000 0.788 71 E HN 0.407 nan 8.360 nan 0.000 0.521 72 R N 0.158 120.582 120.500 -0.127 0.000 2.707 72 R HA 0.589 4.930 4.340 0.001 0.000 0.272 72 R C -1.121 175.110 176.300 -0.116 0.000 1.011 72 R CA -0.677 55.309 56.100 -0.191 0.000 0.893 72 R CB 1.968 32.137 30.300 -0.219 0.000 1.233 72 R HN -0.040 nan 8.270 nan 0.000 0.464 73 I N 2.760 123.260 120.570 -0.115 0.000 2.478 73 I HA 0.255 4.426 4.170 0.001 0.000 0.287 73 I C -1.258 174.830 176.117 -0.048 0.000 1.042 73 I CA -1.016 60.253 61.300 -0.052 0.000 1.067 73 I CB 2.076 40.062 38.000 -0.025 0.000 1.233 73 I HN 0.285 nan 8.210 nan 0.000 0.431 74 L N 8.151 129.361 121.223 -0.021 0.000 2.276 74 L HA 0.492 4.832 4.340 0.001 0.000 0.286 74 L C -1.095 175.778 176.870 0.005 0.000 1.024 74 L CA -0.293 54.540 54.840 -0.011 0.000 0.826 74 L CB 0.846 42.903 42.059 -0.004 0.000 1.211 74 L HN 0.359 nan 8.230 nan 0.000 0.422 75 L N 6.611 127.833 121.223 -0.001 0.000 2.289 75 L HA 0.456 4.797 4.340 0.001 0.000 0.285 75 L C -0.242 176.618 176.870 -0.015 0.000 1.049 75 L CA -0.200 54.635 54.840 -0.008 0.000 0.804 75 L CB 1.306 43.360 42.059 -0.009 0.000 1.195 75 L HN 0.603 nan 8.230 nan 0.000 0.428 76 I N 1.454 122.005 120.570 -0.031 0.000 2.465 76 I HA 0.395 4.566 4.170 0.001 0.000 0.291 76 I C 0.716 176.787 176.117 -0.076 0.000 1.014 76 I CA -0.221 61.057 61.300 -0.036 0.000 1.093 76 I CB 2.097 40.086 38.000 -0.019 0.000 1.267 76 I HN 0.638 nan 8.210 nan 0.000 0.431 77 G N 4.496 113.262 108.800 -0.058 0.000 2.334 77 G HA2 0.227 4.188 3.960 0.001 0.000 0.261 77 G HA3 0.227 4.188 3.960 0.001 0.000 0.261 77 G C 0.170 175.021 174.900 -0.082 0.000 1.257 77 G CA -0.230 44.828 45.100 -0.071 0.000 0.935 77 G HN 0.839 nan 8.290 nan 0.000 0.480 78 C N 3.140 122.343 119.300 -0.160 0.000 2.647 78 C HA 0.618 5.078 4.460 0.001 0.000 0.296 78 C C 1.761 176.777 174.990 0.043 0.000 1.403 78 C CA -0.234 58.715 59.018 -0.115 0.000 1.781 78 C CB -1.470 26.088 27.740 -0.303 0.000 2.464 78 C HN 1.336 nan 8.230 nan 0.000 0.559 79 G N 2.319 111.162 108.800 0.071 0.000 2.582 79 G HA2 -0.256 3.705 3.960 0.001 0.000 0.288 79 G HA3 -0.256 3.705 3.960 0.001 0.000 0.288 79 G C -0.496 174.582 174.900 0.297 0.000 1.247 79 G CA -0.160 45.029 45.100 0.148 0.000 0.972 79 G HN 0.557 nan 8.290 nan 0.000 0.557 80 K N 1.499 122.045 120.400 0.243 0.000 2.234 80 K HA 0.444 4.764 4.320 0.001 0.000 0.277 80 K C 0.572 177.264 176.600 0.154 0.000 1.038 80 K CA -0.433 55.976 56.287 0.203 0.000 0.888 80 K CB 1.452 34.006 32.500 0.091 0.000 1.091 80 K HN 0.523 nan 8.250 nan 0.000 0.467 81 E N 2.245 122.374 120.200 -0.118 0.000 2.680 81 E HA -0.234 4.117 4.350 0.001 0.000 0.278 81 E C 0.101 176.648 176.600 -0.090 0.000 1.018 81 E CA 0.942 57.083 56.400 -0.432 0.000 0.991 81 E CB 0.235 29.420 29.700 -0.858 0.000 1.006 81 E HN 0.537 nan 8.360 nan 0.000 0.464 82 R N 1.004 121.517 120.500 0.022 0.000 3.952 82 R HA -0.258 4.083 4.340 0.001 0.000 0.310 82 R C -0.071 176.340 176.300 0.184 0.000 1.248 82 R CA 1.451 57.680 56.100 0.216 0.000 0.912 82 R CB -1.007 29.260 30.300 -0.056 0.000 1.290 82 R HN 0.527 nan 8.270 nan 0.000 0.549 83 E N 0.334 120.609 120.200 0.125 0.000 3.385 83 E HA 0.156 4.506 4.350 0.001 0.000 0.206 83 E C -0.915 175.747 176.600 0.103 0.000 0.997 83 E CA -0.331 56.124 56.400 0.092 0.000 1.278 83 E CB 0.616 30.355 29.700 0.064 0.000 1.165 83 E HN -0.012 nan 8.360 nan 0.000 0.452 84 L N 2.378 123.669 121.223 0.112 0.000 2.343 84 L HA 0.277 4.618 4.340 0.001 0.000 0.278 84 L C -0.782 176.113 176.870 0.042 0.000 0.996 84 L CA -0.688 54.215 54.840 0.105 0.000 0.831 84 L CB 0.910 43.068 42.059 0.164 0.000 1.232 84 L HN 0.021 nan 8.230 nan 0.000 0.413 85 D N 1.820 122.244 120.400 0.039 0.000 2.388 85 D HA 0.198 4.839 4.640 0.001 0.000 0.254 85 D C 0.876 177.203 176.300 0.044 0.000 1.111 85 D CA -0.421 53.583 54.000 0.006 0.000 0.993 85 D CB 0.609 41.408 40.800 -0.002 0.000 1.118 85 D HN 0.623 nan 8.370 nan 0.000 0.502 86 E N 0.263 120.475 120.200 0.021 0.000 2.097 86 E HA -0.373 3.978 4.350 0.001 0.000 0.196 86 E C 1.774 178.439 176.600 0.107 0.000 1.000 86 E CA 0.922 57.374 56.400 0.087 0.000 0.804 86 E CB -0.298 29.417 29.700 0.025 0.000 0.740 86 E HN 0.397 nan 8.360 nan 0.000 0.454 87 R N 1.366 121.891 120.500 0.042 0.000 2.136 87 R HA -0.243 4.097 4.340 0.001 0.000 0.242 87 R C 2.383 178.706 176.300 0.037 0.000 1.131 87 R CA 2.608 58.721 56.100 0.022 0.000 0.937 87 R CB -0.257 30.041 30.300 -0.004 0.000 0.863 87 R HN 0.365 nan 8.270 nan 0.000 0.435 88 Q N -1.676 118.159 119.800 0.057 0.000 2.187 88 Q HA -0.164 4.177 4.340 0.001 0.000 0.199 88 Q C 1.894 177.949 176.000 0.090 0.000 0.957 88 Q CA 1.310 57.150 55.803 0.061 0.000 0.857 88 Q CB -0.313 28.466 28.738 0.069 0.000 0.929 88 Q HN 0.446 nan 8.270 nan 0.000 0.453 89 Y N 2.337 122.639 120.300 0.004 0.000 2.128 89 Y HA -0.260 4.290 4.550 0.001 0.000 0.284 89 Y C 1.806 177.705 175.900 -0.002 0.000 1.154 89 Y CA 1.658 59.760 58.100 0.004 0.000 1.149 89 Y CB -0.037 38.420 38.460 -0.005 0.000 0.976 89 Y HN -0.131 nan 8.280 nan 0.000 0.505 90 K N -0.072 120.264 120.400 -0.107 0.000 2.063 90 K HA -0.255 4.066 4.320 0.001 0.000 0.208 90 K C 2.152 178.660 176.600 -0.153 0.000 1.048 90 K CA 2.112 58.285 56.287 -0.189 0.000 0.928 90 K CB -0.261 32.209 32.500 -0.050 0.000 0.713 90 K HN 0.536 nan 8.250 nan 0.000 0.442 91 Q N 0.255 120.010 119.800 -0.076 0.000 2.084 91 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 91 Q C 2.202 178.166 176.000 -0.060 0.000 0.978 91 Q CA 1.373 57.147 55.803 -0.048 0.000 0.844 91 Q CB -0.151 28.578 28.738 -0.016 0.000 0.898 91 Q HN 0.110 nan 8.270 nan 0.000 0.426 92 V N 1.271 121.140 119.914 -0.076 0.000 2.407 92 V HA -0.249 3.872 4.120 0.001 0.000 0.248 92 V C 2.103 178.140 176.094 -0.094 0.000 1.055 92 V CA 1.503 63.763 62.300 -0.067 0.000 1.049 92 V CB -0.392 31.407 31.823 -0.040 0.000 0.662 92 V HN 0.382 nan 8.190 nan 0.000 0.455 93 I N -0.440 120.014 120.570 -0.192 0.000 2.546 93 I HA -0.227 3.943 4.170 0.001 0.000 0.255 93 I C 2.515 178.602 176.117 -0.050 0.000 1.163 93 I CA 1.334 62.543 61.300 -0.150 0.000 1.457 93 I CB -0.280 37.535 38.000 -0.309 0.000 1.092 93 I HN 0.439 nan 8.210 nan 0.000 0.434 94 Q N 1.374 121.141 119.800 -0.055 0.000 2.049 94 Q HA -0.250 4.090 4.340 0.001 0.000 0.198 94 Q C 2.178 178.181 176.000 0.006 0.000 0.971 94 Q CA 1.475 57.272 55.803 -0.010 0.000 0.833 94 Q CB 0.118 28.847 28.738 -0.015 0.000 0.896 94 Q HN 0.098 nan 8.270 nan 0.000 0.434 95 K N 0.027 120.423 120.400 -0.006 0.000 2.063 95 K HA -0.122 4.198 4.320 0.001 0.000 0.208 95 K C 1.887 178.495 176.600 0.012 0.000 1.048 95 K CA 2.266 58.555 56.287 0.004 0.000 0.928 95 K CB -0.654 31.844 32.500 -0.003 0.000 0.713 95 K HN 0.249 nan 8.250 nan 0.000 0.442 96 T N 1.617 116.178 114.554 0.013 0.000 2.652 96 T HA -0.132 4.219 4.350 0.001 0.000 0.267 96 T C 1.719 176.440 174.700 0.035 0.000 1.039 96 T CA 1.505 63.621 62.100 0.027 0.000 1.153 96 T CB -0.195 68.698 68.868 0.041 0.000 0.863 96 T HN 0.062 nan 8.240 nan 0.000 0.428 97 I N 2.112 122.710 120.570 0.047 0.000 2.142 97 I HA -0.149 4.021 4.170 0.001 0.000 0.240 97 I C 2.296 178.436 176.117 0.038 0.000 1.078 97 I CA 1.363 62.696 61.300 0.054 0.000 1.343 97 I CB -1.251 36.798 38.000 0.081 0.000 1.046 97 I HN 0.254 nan 8.210 nan 0.000 0.405 98 N N 0.582 119.303 118.700 0.035 0.000 2.120 98 N HA -0.136 4.605 4.740 0.001 0.000 0.188 98 N C 1.822 177.347 175.510 0.024 0.000 1.024 98 N CA 1.849 54.917 53.050 0.030 0.000 0.852 98 N CB -0.544 37.961 38.487 0.030 0.000 1.003 98 N HN 0.354 nan 8.380 nan 0.000 0.424 99 T N 2.002 116.570 114.554 0.023 0.000 2.746 99 T HA -0.034 4.316 4.350 0.001 0.000 0.267 99 T C 2.175 176.887 174.700 0.019 0.000 1.039 99 T CA 0.654 62.766 62.100 0.021 0.000 1.142 99 T CB -0.279 68.600 68.868 0.018 0.000 0.866 99 T HN 0.138 nan 8.240 nan 0.000 0.444 100 L N 1.129 122.362 121.223 0.016 0.000 2.131 100 L HA -0.080 4.261 4.340 0.001 0.000 0.210 100 L C 2.472 179.346 176.870 0.007 0.000 1.092 100 L CA 0.879 55.724 54.840 0.008 0.000 0.759 100 L CB -0.429 41.630 42.059 -0.000 0.000 0.903 100 L HN 0.223 nan 8.230 nan 0.000 0.435 101 N N -0.398 118.308 118.700 0.010 0.000 2.459 101 N HA -0.153 4.587 4.740 0.001 0.000 0.181 101 N C 1.174 176.692 175.510 0.013 0.000 1.046 101 N CA 0.907 53.962 53.050 0.008 0.000 0.904 101 N CB -0.105 38.389 38.487 0.011 0.000 0.964 101 N HN 0.336 nan 8.380 nan 0.000 0.444 102 D N 0.122 120.534 120.400 0.019 0.000 2.317 102 D HA -0.042 4.598 4.640 0.001 0.000 0.211 102 D C 1.209 177.527 176.300 0.031 0.000 0.966 102 D CA 0.515 54.529 54.000 0.023 0.000 0.876 102 D CB 0.326 41.142 40.800 0.027 0.000 0.927 102 D HN 0.365 nan 8.370 nan 0.000 0.519 103 T N -3.249 111.324 114.554 0.033 0.000 2.867 103 T HA 0.462 4.812 4.350 0.001 0.000 0.286 103 T C 1.294 176.014 174.700 0.033 0.000 1.022 103 T CA -0.258 61.872 62.100 0.050 0.000 0.933 103 T CB 1.513 70.415 68.868 0.056 0.000 1.280 103 T HN -0.100 nan 8.240 nan 0.000 0.566 104 G N 0.054 108.879 108.800 0.041 0.000 3.337 104 G HA2 0.301 4.262 3.960 0.001 0.000 0.246 104 G HA3 0.301 4.262 3.960 0.001 0.000 0.246 104 G C 0.238 175.143 174.900 0.007 0.000 1.131 104 G CA -0.491 44.622 45.100 0.021 0.000 0.773 104 G HN 0.686 nan 8.290 nan 0.000 0.544 105 S N 0.773 116.475 115.700 0.003 0.000 2.546 105 S HA 0.076 4.547 4.470 0.001 0.000 0.290 105 S C 1.350 175.931 174.600 -0.032 0.000 1.262 105 S CA 0.088 58.278 58.200 -0.016 0.000 1.083 105 S CB 1.035 64.221 63.200 -0.023 0.000 0.859 105 S HN 0.276 nan 8.310 nan 0.000 0.495 106 M N 1.796 121.374 119.600 -0.038 0.000 2.541 106 M HA 0.045 4.526 4.480 0.001 0.000 0.252 106 M C 0.277 176.534 176.300 -0.072 0.000 1.125 106 M CA 0.583 55.854 55.300 -0.050 0.000 1.091 106 M CB 0.126 32.701 32.600 -0.042 0.000 1.420 106 M HN 0.746 nan 8.290 nan 0.000 0.486 107 E N -1.325 118.830 120.200 -0.075 0.000 2.416 107 E HA 0.795 5.145 4.350 0.001 0.000 0.280 107 E C -1.545 175.000 176.600 -0.092 0.000 1.055 107 E CA -1.050 55.289 56.400 -0.102 0.000 0.825 107 E CB 1.023 30.663 29.700 -0.100 0.000 1.312 107 E HN 0.001 nan 8.360 nan 0.000 0.452 108 A N 0.146 122.894 122.820 -0.120 0.000 2.609 108 A HA 0.728 5.048 4.320 0.001 0.000 0.291 108 A C -1.524 175.983 177.584 -0.129 0.000 1.096 108 A CA -0.709 51.270 52.037 -0.097 0.000 0.684 108 A CB 1.748 20.700 19.000 -0.080 0.000 1.282 108 A HN 0.650 nan 8.150 nan 0.000 0.412 109 V N 0.475 120.341 119.914 -0.081 0.000 2.407 109 V HA 0.460 4.580 4.120 0.001 0.000 0.291 109 V C -0.387 175.641 176.094 -0.110 0.000 1.018 109 V CA -0.598 61.619 62.300 -0.139 0.000 0.842 109 V CB 0.951 32.739 31.823 -0.058 0.000 0.996 109 V HN 1.061 nan 8.190 nan 0.000 0.426 110 C N 5.587 124.762 119.300 -0.207 0.000 2.355 110 C HA 0.660 5.121 4.460 0.001 0.000 0.332 110 C C 0.539 175.436 174.990 -0.154 0.000 1.255 110 C CA -0.356 58.641 59.018 -0.035 0.000 1.792 110 C CB 0.241 28.030 27.740 0.081 0.000 2.300 110 C HN 0.839 nan 8.230 nan 0.000 0.515 111 F N 4.585 124.612 119.950 0.127 0.000 2.668 111 F HA 0.304 4.832 4.527 0.001 0.000 0.301 111 F C 1.306 177.194 175.800 0.146 0.000 1.106 111 F CA -0.053 58.025 58.000 0.129 0.000 1.289 111 F CB 0.007 39.059 39.000 0.087 0.000 1.006 111 F HN 0.507 nan 8.300 nan 0.000 0.535 112 L N -0.477 120.914 121.223 0.280 0.000 2.341 112 L HA -0.049 4.291 4.340 0.001 0.000 0.214 112 L C 2.314 179.363 176.870 0.298 0.000 1.115 112 L CA 1.049 56.044 54.840 0.259 0.000 0.820 112 L CB -0.828 41.355 42.059 0.208 0.000 0.944 112 L HN 0.207 nan 8.230 nan 0.000 0.452 113 T N -3.321 111.385 114.554 0.252 0.000 3.025 113 T HA -0.138 4.212 4.350 0.001 0.000 0.270 113 T C 1.341 176.103 174.700 0.103 0.000 1.126 113 T CA 0.833 63.033 62.100 0.168 0.000 1.105 113 T CB -0.216 68.680 68.868 0.046 0.000 0.884 113 T HN 0.414 nan 8.240 nan 0.000 0.522 114 E N 0.396 120.689 120.200 0.155 0.000 2.478 114 E HA 0.241 4.592 4.350 0.001 0.000 0.194 114 E C 0.295 176.981 176.600 0.144 0.000 1.045 114 E CA -0.315 56.170 56.400 0.142 0.000 0.868 114 E CB -0.058 29.756 29.700 0.191 0.000 0.885 114 E HN 0.538 nan 8.360 nan 0.000 0.505 115 L N 1.258 122.573 121.223 0.153 0.000 2.499 115 L HA -0.046 4.294 4.340 0.001 0.000 0.281 115 L C 0.612 177.548 176.870 0.110 0.000 1.234 115 L CA 0.126 55.075 54.840 0.182 0.000 0.839 115 L CB 0.062 42.247 42.059 0.210 0.000 1.104 115 L HN 0.141 nan 8.230 nan 0.000 0.500 116 H N 1.634 120.748 119.070 0.073 0.000 2.782 116 H HA 0.372 4.928 4.556 0.001 0.000 0.285 116 H C -1.062 174.255 175.328 -0.018 0.000 1.093 116 H CA -0.405 55.652 56.048 0.015 0.000 1.410 116 H CB 0.488 30.262 29.762 0.018 0.000 1.439 116 H HN 0.181 nan 8.280 nan 0.000 0.469 117 V N 6.543 126.208 119.914 -0.416 0.000 2.384 117 V HA 0.180 4.300 4.120 0.001 0.000 0.287 117 V C 0.062 175.888 176.094 -0.448 0.000 1.020 117 V CA -1.159 60.918 62.300 -0.373 0.000 0.850 117 V CB 1.263 32.833 31.823 -0.421 0.000 0.987 117 V HN 0.804 nan 8.190 nan 0.000 0.436 118 K N 3.142 123.342 120.400 -0.333 0.000 2.530 118 K HA 0.177 4.498 4.320 0.001 0.000 0.280 118 K C 1.398 177.890 176.600 -0.179 0.000 1.004 118 K CA 0.937 57.077 56.287 -0.244 0.000 1.071 118 K CB 0.058 32.492 32.500 -0.109 0.000 0.876 118 K HN 1.147 nan 8.250 nan 0.000 0.487 119 G N 2.450 111.169 108.800 -0.135 0.000 2.219 119 G HA2 -0.310 3.651 3.960 0.001 0.000 0.271 119 G HA3 -0.310 3.651 3.960 0.001 0.000 0.271 119 G C -0.185 174.666 174.900 -0.082 0.000 0.991 119 G CA 0.418 45.465 45.100 -0.088 0.000 0.685 119 G HN 0.473 nan 8.290 nan 0.000 0.531 120 R N 0.450 120.891 120.500 -0.099 0.000 2.343 120 R HA 0.378 4.718 4.340 0.001 0.000 0.320 120 R C 0.502 176.830 176.300 0.047 0.000 0.956 120 R CA -0.494 55.597 56.100 -0.015 0.000 0.836 120 R CB 1.114 31.369 30.300 -0.076 0.000 1.151 120 R HN 0.543 nan 8.270 nan 0.000 0.450 121 N N 1.025 119.853 118.700 0.213 0.000 2.431 121 N HA 0.000 4.741 4.740 0.001 0.000 0.289 121 N C 0.726 176.307 175.510 0.118 0.000 1.277 121 N CA -0.438 52.706 53.050 0.156 0.000 0.972 121 N CB 0.283 38.881 38.487 0.186 0.000 1.143 121 N HN 0.446 nan 8.380 nan 0.000 0.578 122 N N -1.178 117.571 118.700 0.082 0.000 2.120 122 N HA -0.252 4.489 4.740 0.001 0.000 0.188 122 N C 1.422 176.946 175.510 0.022 0.000 1.024 122 N CA 1.091 54.166 53.050 0.041 0.000 0.852 122 N CB -0.254 38.260 38.487 0.045 0.000 1.003 122 N HN 0.633 nan 8.380 nan 0.000 0.424 123 Y N 0.067 120.304 120.300 -0.106 0.000 2.145 123 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 123 Y C 1.881 177.604 175.900 -0.295 0.000 1.145 123 Y CA 1.832 59.792 58.100 -0.235 0.000 1.148 123 Y CB -0.751 37.516 38.460 -0.323 0.000 0.981 123 Y HN 0.106 nan 8.280 nan 0.000 0.507 124 W N 1.065 122.387 121.300 0.037 0.000 2.355 124 W HA -0.126 4.534 4.660 0.000 0.000 0.309 124 W C 2.449 178.871 176.519 -0.161 0.000 1.206 124 W CA 1.536 58.831 57.345 -0.084 0.000 1.284 124 W CB -0.244 29.234 29.460 0.030 0.000 1.145 124 W HN -0.115 nan 8.180 nan 0.000 0.502 125 K N -0.106 120.318 120.400 0.040 0.000 2.063 125 K HA -0.182 4.139 4.320 0.001 0.000 0.208 125 K C 1.722 178.273 176.600 -0.082 0.000 1.048 125 K CA 1.738 57.982 56.287 -0.071 0.000 0.928 125 K CB -0.775 31.585 32.500 -0.232 0.000 0.713 125 K HN 0.062 nan 8.250 nan 0.000 0.442 126 V N 1.103 120.877 119.914 -0.233 0.000 2.453 126 V HA -0.191 3.929 4.120 0.001 0.000 0.247 126 V C 2.389 178.208 176.094 -0.459 0.000 1.048 126 V CA 1.537 63.582 62.300 -0.425 0.000 1.049 126 V CB -0.435 31.203 31.823 -0.310 0.000 0.672 126 V HN 0.304 nan 8.190 nan 0.000 0.457 127 R N -0.012 120.227 120.500 -0.436 0.000 2.062 127 R HA -0.178 4.162 4.340 0.001 0.000 0.231 127 R C 2.377 178.547 176.300 -0.217 0.000 1.136 127 R CA 1.763 57.615 56.100 -0.413 0.000 0.948 127 R CB -0.267 29.665 30.300 -0.614 0.000 0.845 127 R HN 0.528 nan 8.270 nan 0.000 0.430 128 Q N -0.227 119.534 119.800 -0.065 0.000 2.096 128 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 128 Q C 2.134 178.078 176.000 -0.093 0.000 0.982 128 Q CA 1.865 57.684 55.803 0.026 0.000 0.850 128 Q CB -0.155 28.701 28.738 0.198 0.000 0.901 128 Q HN 0.500 nan 8.270 nan 0.000 0.422 129 A N 0.088 122.788 122.820 -0.200 0.000 1.877 129 A HA -0.149 4.172 4.320 0.001 0.000 0.216 129 A C 2.309 179.694 177.584 -0.331 0.000 1.186 129 A CA 1.426 53.240 52.037 -0.372 0.000 0.620 129 A CB -0.719 17.826 19.000 -0.758 0.000 0.822 129 A HN 0.222 nan 8.150 nan 0.000 0.443 130 V N 0.020 119.661 119.914 -0.455 0.000 2.295 130 V HA -0.288 3.833 4.120 0.001 0.000 0.246 130 V C 2.436 178.347 176.094 -0.306 0.000 1.049 130 V CA 2.400 64.361 62.300 -0.565 0.000 1.024 130 V CB -0.914 30.556 31.823 -0.589 0.000 0.648 130 V HN 0.644 nan 8.190 nan 0.000 0.447 131 E N -0.166 119.922 120.200 -0.187 0.000 2.077 131 E HA -0.187 4.164 4.350 0.001 0.000 0.193 131 E C 2.298 178.876 176.600 -0.037 0.000 0.989 131 E CA 1.844 58.196 56.400 -0.080 0.000 0.800 131 E CB -0.268 29.405 29.700 -0.045 0.000 0.746 131 E HN 0.581 nan 8.360 nan 0.000 0.452 132 T N 0.675 115.197 114.554 -0.052 0.000 2.821 132 T HA -0.103 4.247 4.350 0.001 0.000 0.267 132 T C 1.919 176.631 174.700 0.020 0.000 1.046 132 T CA 0.981 63.065 62.100 -0.028 0.000 1.139 132 T CB -0.177 68.647 68.868 -0.073 0.000 0.871 132 T HN 0.239 nan 8.240 nan 0.000 0.454 133 A N 2.303 125.148 122.820 0.042 0.000 1.851 133 A HA -0.145 4.176 4.320 0.001 0.000 0.216 133 A C 2.318 180.007 177.584 0.176 0.000 1.195 133 A CA 1.319 53.453 52.037 0.161 0.000 0.622 133 A CB -0.385 18.822 19.000 0.345 0.000 0.831 133 A HN 0.218 nan 8.150 nan 0.000 0.444 134 K N -0.388 120.112 120.400 0.167 0.000 2.063 134 K HA -0.198 4.123 4.320 0.001 0.000 0.208 134 K C 1.920 178.613 176.600 0.156 0.000 1.048 134 K CA 1.697 58.092 56.287 0.179 0.000 0.928 134 K CB -0.421 32.170 32.500 0.151 0.000 0.713 134 K HN 0.624 nan 8.250 nan 0.000 0.442 135 E N 0.717 120.979 120.200 0.102 0.000 2.049 135 E HA -0.164 4.186 4.350 0.001 0.000 0.198 135 E C 1.812 178.490 176.600 0.131 0.000 1.007 135 E CA 2.198 58.649 56.400 0.086 0.000 0.809 135 E CB -0.369 29.351 29.700 0.034 0.000 0.749 135 E HN 0.189 nan 8.360 nan 0.000 0.450 136 T N 0.519 115.139 114.554 0.111 0.000 2.759 136 T HA -0.117 4.234 4.350 0.001 0.000 0.269 136 T C 1.588 176.367 174.700 0.132 0.000 1.042 136 T CA 1.431 63.596 62.100 0.109 0.000 1.140 136 T CB -0.219 68.700 68.868 0.084 0.000 0.864 136 T HN 0.168 nan 8.240 nan 0.000 0.455 137 L N -0.443 120.867 121.223 0.146 0.000 2.552 137 L HA 0.161 4.502 4.340 0.001 0.000 0.227 137 L C 0.804 177.756 176.870 0.138 0.000 1.146 137 L CA -0.117 54.797 54.840 0.124 0.000 0.858 137 L CB -0.552 41.576 42.059 0.114 0.000 0.969 137 L HN 0.262 nan 8.230 nan 0.000 0.451 138 Y N 2.003 122.349 120.300 0.077 0.000 2.620 138 Y HA 0.111 4.662 4.550 0.001 0.000 0.330 138 Y C 0.675 176.633 175.900 0.096 0.000 1.186 138 Y CA -0.281 57.873 58.100 0.090 0.000 1.467 138 Y CB 0.529 39.046 38.460 0.094 0.000 1.262 138 Y HN 0.113 nan 8.280 nan 0.000 0.550 139 S N 5.704 121.041 115.700 -0.606 0.000 2.556 139 S HA 0.531 5.002 4.470 0.001 0.000 0.271 139 S C -1.480 172.823 174.600 -0.495 0.000 1.135 139 S CA -0.935 57.057 58.200 -0.347 0.000 0.858 139 S CB 1.407 64.519 63.200 -0.146 0.000 1.114 139 S HN 0.633 nan 8.310 nan 0.000 0.468 140 F N 2.133 121.909 119.950 -0.290 0.000 2.564 140 F HA 0.484 5.011 4.527 0.001 0.000 0.361 140 F C -0.444 175.309 175.800 -0.078 0.000 1.161 140 F CA -0.795 57.102 58.000 -0.173 0.000 1.198 140 F CB 0.848 39.860 39.000 0.020 0.000 1.424 140 F HN 0.696 nan 8.300 nan 0.000 0.517 141 D N 2.870 123.050 120.400 -0.368 0.000 2.431 141 D HA -0.052 4.589 4.640 0.001 0.000 0.213 141 D C 1.732 177.814 176.300 -0.363 0.000 1.130 141 D CA 0.239 54.072 54.000 -0.278 0.000 0.834 141 D CB 0.379 41.085 40.800 -0.156 0.000 0.985 141 D HN 0.564 nan 8.370 nan 0.000 0.504 142 Q N 0.454 119.895 119.800 -0.598 0.000 2.197 142 Q HA -0.125 4.216 4.340 0.001 0.000 0.207 142 Q C 1.761 177.579 176.000 -0.303 0.000 0.984 142 Q CA 0.931 56.473 55.803 -0.434 0.000 0.869 142 Q CB -0.424 28.023 28.738 -0.484 0.000 0.906 142 Q HN 0.388 nan 8.270 nan 0.000 0.426 143 L N -0.054 120.979 121.223 -0.317 0.000 2.607 143 L HA 0.231 4.571 4.340 0.001 0.000 0.228 143 L C 0.394 177.212 176.870 -0.086 0.000 1.123 143 L CA -0.115 54.640 54.840 -0.142 0.000 0.890 143 L CB 0.185 42.210 42.059 -0.057 0.000 1.103 143 L HN -0.020 nan 8.230 nan 0.000 0.468 144 K N 0.039 120.380 120.400 -0.098 0.000 2.110 144 K HA 0.233 4.554 4.320 0.001 0.000 0.263 144 K C 1.107 177.672 176.600 -0.058 0.000 0.975 144 K CA -0.012 56.240 56.287 -0.058 0.000 0.895 144 K CB 1.628 34.099 32.500 -0.048 0.000 1.060 144 K HN -0.063 nan 8.250 nan 0.000 0.448 145 T N -2.100 112.430 114.554 -0.040 0.000 2.990 145 T HA 0.050 4.400 4.350 0.001 0.000 0.249 145 T C 0.999 175.681 174.700 -0.031 0.000 1.039 145 T CA 0.006 62.084 62.100 -0.037 0.000 1.036 145 T CB 0.066 68.916 68.868 -0.030 0.000 0.994 145 T HN 0.289 nan 8.240 nan 0.000 0.489 146 N N 2.803 121.487 118.700 -0.026 0.000 2.141 146 N HA 0.073 4.814 4.740 0.001 0.000 0.187 146 N C 0.256 175.751 175.510 -0.025 0.000 1.066 146 N CA 1.010 54.048 53.050 -0.021 0.000 0.931 146 N CB -0.569 37.909 38.487 -0.015 0.000 1.086 146 N HN 0.760 nan 8.380 nan 0.000 0.471 147 K N -0.675 119.712 120.400 -0.023 0.000 1.713 147 K HA -0.217 4.104 4.320 0.001 0.000 0.625 147 K C -0.150 176.435 176.600 -0.024 0.000 2.428 147 K CA 1.185 57.457 56.287 -0.025 0.000 1.796 147 K CB -0.934 31.544 32.500 -0.037 0.000 2.389 147 K HN 0.508 nan 8.250 nan 0.000 0.527 148 S N 0.255 115.941 115.700 -0.023 0.000 2.993 148 S HA 0.133 4.604 4.470 0.001 0.000 0.257 148 S C -0.572 174.014 174.600 -0.023 0.000 0.997 148 S CA 0.388 58.575 58.200 -0.021 0.000 1.191 148 S CB -0.370 62.820 63.200 -0.015 0.000 1.143 148 S HN 1.208 nan 8.310 nan 0.000 0.655 149 E N -0.305 119.878 120.200 -0.029 0.000 8.073 149 E HA -0.127 4.223 4.350 0.001 0.000 0.466 149 E C -2.998 173.588 176.600 -0.023 0.000 0.782 149 E CA -0.332 56.049 56.400 -0.032 0.000 1.366 149 E CB -2.448 27.231 29.700 -0.034 0.000 0.986 149 E HN 0.320 nan 8.360 nan 0.000 0.263 150 P HA 0.025 nan 4.420 nan 0.000 0.268 150 P C -0.538 176.755 177.300 -0.011 0.000 1.204 150 P CA -0.174 62.919 63.100 -0.013 0.000 0.768 150 P CB 0.549 32.242 31.700 -0.012 0.000 0.842 151 R N 4.714 125.211 120.500 -0.006 0.000 2.288 151 R HA 0.116 4.456 4.340 0.001 0.000 0.330 151 R C -0.641 175.656 176.300 -0.005 0.000 1.069 151 R CA -0.029 56.068 56.100 -0.006 0.000 0.941 151 R CB 0.164 30.462 30.300 -0.002 0.000 0.998 151 R HN 0.368 nan 8.270 nan 0.000 0.452 152 R N 6.000 126.494 120.500 -0.011 0.000 2.415 152 R HA 0.266 4.606 4.340 0.001 0.000 0.292 152 R C -2.098 174.188 176.300 -0.023 0.000 1.295 152 R CA -1.924 54.167 56.100 -0.015 0.000 1.137 152 R CB 1.426 31.715 30.300 -0.017 0.000 1.135 152 R HN 0.497 nan 8.270 nan 0.000 0.560 153 P HA 0.002 nan 4.420 nan 0.000 0.220 153 P C 0.301 177.576 177.300 -0.042 0.000 1.154 153 P CA -0.072 63.013 63.100 -0.026 0.000 0.830 153 P CB 0.393 32.084 31.700 -0.016 0.000 0.803 154 L N 1.215 122.410 121.223 -0.047 0.000 2.562 154 L HA 0.017 4.357 4.340 0.001 0.000 0.271 154 L C 1.206 178.015 176.870 -0.101 0.000 1.167 154 L CA 0.927 55.722 54.840 -0.075 0.000 0.917 154 L CB -0.248 41.769 42.059 -0.071 0.000 1.187 154 L HN -0.096 nan 8.230 nan 0.000 0.482 155 R N 3.030 123.456 120.500 -0.123 0.000 2.394 155 R HA 0.253 4.593 4.340 0.001 0.000 0.220 155 R C -0.291 175.883 176.300 -0.209 0.000 0.887 155 R CA 0.004 56.021 56.100 -0.139 0.000 1.034 155 R CB 0.684 30.925 30.300 -0.098 0.000 1.179 155 R HN 0.521 nan 8.270 nan 0.000 0.561 156 K N 0.666 120.924 120.400 -0.237 0.000 2.527 156 K HA 0.411 4.732 4.320 0.001 0.000 0.260 156 K C -1.452 174.939 176.600 -0.348 0.000 0.937 156 K CA -0.803 55.298 56.287 -0.308 0.000 0.826 156 K CB 2.607 34.984 32.500 -0.206 0.000 1.359 156 K HN -0.207 nan 8.250 nan 0.000 0.434 157 M N 1.925 121.237 119.600 -0.481 0.000 2.224 157 M HA 0.326 4.807 4.480 0.001 0.000 0.281 157 M C -2.076 173.919 176.300 -0.508 0.000 1.025 157 M CA -0.581 54.431 55.300 -0.480 0.000 0.954 157 M CB 2.011 34.285 32.600 -0.543 0.000 1.639 157 M HN 0.364 nan 8.290 nan 0.000 0.461 158 V N 6.107 125.765 119.914 -0.427 0.000 2.370 158 V HA 0.514 4.635 4.120 0.001 0.000 0.279 158 V C -0.940 174.904 176.094 -0.417 0.000 1.029 158 V CA -0.295 61.796 62.300 -0.349 0.000 0.870 158 V CB 0.980 32.678 31.823 -0.208 0.000 0.984 158 V HN 0.729 nan 8.190 nan 0.000 0.451 159 F N 3.325 123.249 119.950 -0.042 0.000 2.410 159 F HA 0.405 4.932 4.527 0.001 0.000 0.349 159 F C 0.543 176.252 175.800 -0.152 0.000 1.117 159 F CA -0.737 57.214 58.000 -0.082 0.000 1.104 159 F CB 0.874 39.867 39.000 -0.012 0.000 1.122 159 F HN 0.436 nan 8.300 nan 0.000 0.483 160 N N 2.199 120.839 118.700 -0.101 0.000 2.434 160 N HA 0.516 5.256 4.740 0.001 0.000 0.272 160 N C -1.193 174.316 175.510 -0.001 0.000 1.040 160 N CA -0.460 52.480 53.050 -0.182 0.000 0.956 160 N CB 0.997 39.109 38.487 -0.624 0.000 1.108 160 N HN 0.397 nan 8.380 nan 0.000 0.481 161 V N 2.628 122.563 119.914 0.034 0.000 2.630 161 V HA 0.572 4.692 4.120 0.001 0.000 0.305 161 V C -1.820 174.321 176.094 0.079 0.000 1.046 161 V CA -1.804 60.533 62.300 0.062 0.000 0.934 161 V CB 1.523 33.377 31.823 0.052 0.000 1.003 161 V HN 0.577 nan 8.190 nan 0.000 0.451 162 P HA -0.153 nan 4.420 nan 0.000 0.216 162 P C 0.671 178.018 177.300 0.078 0.000 1.167 162 P CA 2.289 65.444 63.100 0.092 0.000 0.933 162 P CB 0.090 31.837 31.700 0.078 0.000 0.793 163 T N -3.755 110.835 114.554 0.061 0.000 2.865 163 T HA 0.309 4.660 4.350 0.001 0.000 0.294 163 T C 0.795 175.521 174.700 0.043 0.000 1.119 163 T CA -0.856 61.274 62.100 0.051 0.000 1.007 163 T CB 0.982 69.876 68.868 0.043 0.000 1.225 163 T HN -0.175 nan 8.240 nan 0.000 0.515 164 R N 0.553 121.075 120.500 0.037 0.000 2.249 164 R HA -0.023 4.317 4.340 0.001 0.000 0.230 164 R C 2.322 178.638 176.300 0.027 0.000 1.121 164 R CA 0.883 57.001 56.100 0.031 0.000 0.997 164 R CB -0.123 30.192 30.300 0.026 0.000 0.867 164 R HN 0.511 nan 8.270 nan 0.000 0.465 165 R N 1.364 121.880 120.500 0.028 0.000 2.082 165 R HA -0.121 4.220 4.340 0.001 0.000 0.234 165 R C 1.491 177.806 176.300 0.025 0.000 1.136 165 R CA 1.569 57.683 56.100 0.023 0.000 0.935 165 R CB -0.142 30.172 30.300 0.023 0.000 0.842 165 R HN 0.296 nan 8.270 nan 0.000 0.430 166 E N 1.424 121.643 120.200 0.031 0.000 2.321 166 E HA -0.058 4.292 4.350 0.001 0.000 0.189 166 E C 1.390 178.011 176.600 0.035 0.000 1.125 166 E CA 0.256 56.677 56.400 0.035 0.000 1.005 166 E CB -0.165 29.559 29.700 0.040 0.000 1.140 166 E HN 0.409 nan 8.360 nan 0.000 0.457 167 L N 0.323 121.565 121.223 0.031 0.000 2.179 167 L HA -0.071 4.270 4.340 0.001 0.000 0.208 167 L C 1.927 178.813 176.870 0.027 0.000 1.096 167 L CA 1.196 56.054 54.840 0.030 0.000 0.779 167 L CB -0.120 41.955 42.059 0.026 0.000 0.922 167 L HN 0.124 nan 8.230 nan 0.000 0.443 168 T N -1.163 113.407 114.554 0.026 0.000 2.809 168 T HA -0.128 4.222 4.350 0.001 0.000 0.260 168 T C 2.046 176.768 174.700 0.038 0.000 1.039 168 T CA 1.470 63.585 62.100 0.026 0.000 1.141 168 T CB -0.098 68.783 68.868 0.022 0.000 0.869 168 T HN 0.477 nan 8.240 nan 0.000 0.437 169 S N 1.271 117.001 115.700 0.050 0.000 2.423 169 S HA 0.016 4.487 4.470 0.001 0.000 0.231 169 S C 2.316 176.978 174.600 0.104 0.000 1.014 169 S CA 1.124 59.381 58.200 0.095 0.000 0.965 169 S CB -0.841 62.410 63.200 0.085 0.000 0.785 169 S HN 0.499 nan 8.310 nan 0.000 0.495 170 G N 1.269 110.095 108.800 0.043 0.000 2.430 170 G HA2 -0.003 3.958 3.960 0.001 0.000 0.216 170 G HA3 -0.003 3.958 3.960 0.001 0.000 0.216 170 G C 1.386 176.274 174.900 -0.020 0.000 1.146 170 G CA 0.397 45.498 45.100 0.002 0.000 0.793 170 G HN 0.628 nan 8.290 nan 0.000 0.537 171 E N 0.103 120.300 120.200 -0.005 0.000 2.152 171 E HA -0.021 4.329 4.350 0.001 0.000 0.192 171 E C 2.635 179.184 176.600 -0.084 0.000 0.983 171 E CA 0.245 56.633 56.400 -0.020 0.000 0.818 171 E CB -0.026 29.672 29.700 -0.003 0.000 0.758 171 E HN 0.298 nan 8.360 nan 0.000 0.467 172 R N 0.446 120.884 120.500 -0.103 0.000 2.090 172 R HA -0.039 4.302 4.340 0.001 0.000 0.228 172 R C 2.335 178.366 176.300 -0.448 0.000 1.110 172 R CA 1.019 56.952 56.100 -0.278 0.000 0.973 172 R CB -0.150 30.059 30.300 -0.152 0.000 0.869 172 R HN 0.086 nan 8.270 nan 0.000 0.440 173 A N 0.991 123.648 122.820 -0.272 0.000 1.902 173 A HA -0.139 4.182 4.320 0.001 0.000 0.217 173 A C 2.082 179.445 177.584 -0.368 0.000 1.181 173 A CA 1.179 52.892 52.037 -0.539 0.000 0.623 173 A CB -0.421 18.214 19.000 -0.609 0.000 0.818 173 A HN 0.192 nan 8.150 nan 0.000 0.443 174 I N -0.730 119.710 120.570 -0.217 0.000 2.252 174 I HA -0.287 3.884 4.170 0.001 0.000 0.245 174 I C 2.814 178.868 176.117 -0.105 0.000 1.102 174 I CA 1.676 62.900 61.300 -0.127 0.000 1.385 174 I CB -0.320 37.684 38.000 0.008 0.000 1.064 174 I HN 0.533 nan 8.210 nan 0.000 0.414 175 Q N 0.608 120.329 119.800 -0.131 0.000 2.030 175 Q HA -0.260 4.081 4.340 0.001 0.000 0.204 175 Q C 2.175 178.164 176.000 -0.018 0.000 0.986 175 Q CA 2.014 57.768 55.803 -0.081 0.000 0.843 175 Q CB -0.148 28.518 28.738 -0.120 0.000 0.904 175 Q HN 0.622 nan 8.270 nan 0.000 0.420 176 H N -1.485 117.492 119.070 -0.155 0.000 2.293 176 H HA -0.077 4.479 4.556 0.001 0.000 0.300 176 H C 2.044 177.286 175.328 -0.144 0.000 1.082 176 H CA 0.436 56.381 56.048 -0.171 0.000 1.308 176 H CB -0.216 29.413 29.762 -0.221 0.000 1.375 176 H HN 0.490 nan 8.280 nan 0.000 0.495 177 G N 0.953 109.717 108.800 -0.060 0.000 2.469 177 G HA2 -0.243 3.717 3.960 0.001 0.000 0.219 177 G HA3 -0.243 3.717 3.960 0.001 0.000 0.219 177 G C 1.658 176.520 174.900 -0.063 0.000 1.150 177 G CA 0.862 45.899 45.100 -0.105 0.000 0.763 177 G HN 0.217 nan 8.290 nan 0.000 0.561 178 L N 0.317 121.518 121.223 -0.038 0.000 2.109 178 L HA 0.042 4.382 4.340 0.001 0.000 0.207 178 L C 3.378 180.268 176.870 0.033 0.000 1.086 178 L CA 0.833 55.685 54.840 0.019 0.000 0.760 178 L CB -0.360 41.736 42.059 0.063 0.000 0.910 178 L HN 0.317 nan 8.230 nan 0.000 0.437 179 A N 0.422 123.254 122.820 0.020 0.000 1.898 179 A HA -0.139 4.181 4.320 0.001 0.000 0.216 179 A C 2.195 179.777 177.584 -0.004 0.000 1.181 179 A CA 1.269 53.310 52.037 0.006 0.000 0.620 179 A CB -0.539 18.450 19.000 -0.018 0.000 0.819 179 A HN 0.312 nan 8.150 nan 0.000 0.442 180 I N -0.177 120.388 120.570 -0.007 0.000 2.179 180 I HA -0.273 3.897 4.170 0.001 0.000 0.242 180 I C 2.978 179.105 176.117 0.017 0.000 1.088 180 I CA 1.059 62.357 61.300 -0.002 0.000 1.357 180 I CB -0.391 37.611 38.000 0.002 0.000 1.051 180 I HN 0.354 nan 8.210 nan 0.000 0.409 181 A N 0.792 123.625 122.820 0.021 0.000 1.940 181 A HA -0.181 4.140 4.320 0.001 0.000 0.219 181 A C 2.511 180.139 177.584 0.074 0.000 1.176 181 A CA 1.962 54.025 52.037 0.043 0.000 0.631 181 A CB -0.755 18.272 19.000 0.045 0.000 0.814 181 A HN 0.454 nan 8.150 nan 0.000 0.446 182 A N -0.741 122.125 122.820 0.077 0.000 1.968 182 A HA 0.216 4.536 4.320 0.001 0.000 0.217 182 A C 2.331 179.979 177.584 0.106 0.000 1.169 182 A CA 1.680 53.779 52.037 0.104 0.000 0.638 182 A CB -1.113 17.946 19.000 0.098 0.000 0.812 182 A HN 0.670 nan 8.150 nan 0.000 0.446 183 G N -0.089 108.750 108.800 0.065 0.000 2.403 183 G HA2 -0.106 3.854 3.960 0.001 0.000 0.216 183 G HA3 -0.106 3.854 3.960 0.001 0.000 0.216 183 G C 1.507 176.457 174.900 0.083 0.000 1.154 183 G CA 0.966 46.104 45.100 0.062 0.000 0.784 183 G HN 0.445 nan 8.290 nan 0.000 0.538 184 I N 0.411 121.016 120.570 0.057 0.000 2.226 184 I HA -0.135 4.035 4.170 0.001 0.000 0.245 184 I C 2.699 178.843 176.117 0.044 0.000 1.100 184 I CA 1.369 62.690 61.300 0.036 0.000 1.374 184 I CB -0.121 37.884 38.000 0.008 0.000 1.057 184 I HN 0.160 nan 8.210 nan 0.000 0.413 185 K N 1.352 121.807 120.400 0.091 0.000 2.057 185 K HA -0.186 4.135 4.320 0.001 0.000 0.207 185 K C 2.186 178.919 176.600 0.221 0.000 1.049 185 K CA 1.471 57.859 56.287 0.169 0.000 0.931 185 K CB -0.086 32.566 32.500 0.254 0.000 0.714 185 K HN 0.278 nan 8.250 nan 0.000 0.440 186 A N 1.144 124.092 122.820 0.213 0.000 1.877 186 A HA -0.102 4.218 4.320 0.001 0.000 0.216 186 A C 2.359 180.068 177.584 0.209 0.000 1.186 186 A CA 1.873 54.061 52.037 0.251 0.000 0.620 186 A CB -0.895 18.327 19.000 0.370 0.000 0.822 186 A HN 0.489 nan 8.150 nan 0.000 0.443 187 A N -0.213 122.718 122.820 0.184 0.000 1.908 187 A HA -0.191 4.129 4.320 0.001 0.000 0.218 187 A C 2.130 179.774 177.584 0.100 0.000 1.181 187 A CA 1.890 54.011 52.037 0.141 0.000 0.627 187 A CB -0.451 18.614 19.000 0.110 0.000 0.818 187 A HN 0.551 nan 8.150 nan 0.000 0.445 188 K N -0.545 119.890 120.400 0.058 0.000 2.057 188 K HA -0.146 4.175 4.320 0.001 0.000 0.207 188 K C 1.572 178.244 176.600 0.121 0.000 1.049 188 K CA 1.444 57.731 56.287 -0.000 0.000 0.931 188 K CB -0.292 32.049 32.500 -0.265 0.000 0.714 188 K HN 0.386 nan 8.250 nan 0.000 0.440 189 D N 1.130 121.685 120.400 0.259 0.000 2.123 189 D HA -0.139 4.501 4.640 0.001 0.000 0.196 189 D C 1.932 178.351 176.300 0.198 0.000 0.992 189 D CA 1.012 55.219 54.000 0.345 0.000 0.833 189 D CB -0.181 40.852 40.800 0.389 0.000 0.954 189 D HN 0.124 nan 8.370 nan 0.000 0.455 190 L N 0.250 121.559 121.223 0.144 0.000 2.093 190 L HA -0.021 4.319 4.340 0.001 0.000 0.208 190 L C 2.536 179.437 176.870 0.052 0.000 1.085 190 L CA 1.220 56.123 54.840 0.106 0.000 0.755 190 L CB -0.589 41.507 42.059 0.062 0.000 0.904 190 L HN 0.078 nan 8.230 nan 0.000 0.435 191 G N -0.139 108.705 108.800 0.073 0.000 2.404 191 G HA2 -0.235 3.725 3.960 0.001 0.000 0.215 191 G HA3 -0.235 3.725 3.960 0.001 0.000 0.215 191 G C 1.367 176.257 174.900 -0.017 0.000 1.174 191 G CA 0.477 45.651 45.100 0.123 0.000 0.780 191 G HN 0.296 nan 8.290 nan 0.000 0.537 192 N N 0.153 118.781 118.700 -0.120 0.000 2.381 192 N HA 0.014 4.754 4.740 0.001 0.000 0.182 192 N C 1.117 176.281 175.510 -0.577 0.000 1.025 192 N CA 0.318 53.078 53.050 -0.484 0.000 0.888 192 N CB -0.163 37.703 38.487 -1.034 0.000 0.965 192 N HN 0.177 nan 8.380 nan 0.000 0.438 193 M N 1.758 121.180 119.600 -0.296 0.000 2.249 193 M HA 0.110 4.590 4.480 0.001 0.000 0.340 193 M C -2.088 174.106 176.300 -0.176 0.000 1.166 193 M CA -1.641 53.608 55.300 -0.085 0.000 1.115 193 M CB -0.242 32.322 32.600 -0.059 0.000 1.606 193 M HN -0.138 nan 8.290 nan 0.000 0.448 194 P HA 0.197 nan 4.420 nan 0.000 0.275 194 P C -2.125 175.075 177.300 -0.168 0.000 1.228 194 P CA -1.191 61.810 63.100 -0.164 0.000 0.786 194 P CB -0.256 31.371 31.700 -0.122 0.000 0.927 195 P HA -0.159 nan 4.420 nan 0.000 0.228 195 P C 1.177 178.404 177.300 -0.122 0.000 1.151 195 P CA 1.142 64.179 63.100 -0.105 0.000 0.770 195 P CB -0.164 31.489 31.700 -0.077 0.000 0.786 196 N N -0.240 118.368 118.700 -0.152 0.000 2.166 196 N HA -0.102 4.639 4.740 0.001 0.000 0.186 196 N C 1.402 176.836 175.510 -0.125 0.000 1.019 196 N CA 1.436 54.406 53.050 -0.134 0.000 0.856 196 N CB -0.405 38.002 38.487 -0.134 0.000 0.993 196 N HN 0.144 nan 8.380 nan 0.000 0.426 197 I N -1.707 118.759 120.570 -0.175 0.000 3.366 197 I HA 0.124 4.295 4.170 0.001 0.000 0.267 197 I C 0.467 176.337 176.117 -0.411 0.000 1.149 197 I CA -0.057 61.089 61.300 -0.258 0.000 1.436 197 I CB 0.138 37.964 38.000 -0.290 0.000 1.379 197 I HN 0.052 nan 8.210 nan 0.000 0.460 198 C N 4.357 123.409 119.300 -0.413 0.000 2.365 198 C HA 0.265 4.725 4.460 0.001 0.000 0.412 198 C C 0.463 175.423 174.990 -0.049 0.000 1.023 198 C CA -0.768 58.046 59.018 -0.340 0.000 1.287 198 C CB -2.639 24.968 27.740 -0.222 0.000 1.675 198 C HN 0.407 nan 8.230 nan 0.000 0.520 199 N N 2.988 121.712 118.700 0.041 0.000 2.671 199 N HA 0.602 5.343 4.740 0.001 0.000 0.303 199 N C 0.907 176.490 175.510 0.122 0.000 1.277 199 N CA -0.181 52.911 53.050 0.070 0.000 0.933 199 N CB 0.421 38.938 38.487 0.049 0.000 1.190 199 N HN 0.266 nan 8.380 nan 0.000 0.600 200 A N -0.490 122.387 122.820 0.096 0.000 1.940 200 A HA -0.063 4.257 4.320 0.001 0.000 0.219 200 A C 2.102 179.742 177.584 0.092 0.000 1.176 200 A CA 2.286 54.380 52.037 0.095 0.000 0.631 200 A CB -1.624 17.428 19.000 0.088 0.000 0.814 200 A HN 0.818 nan 8.150 nan 0.000 0.446 201 A N -1.636 121.239 122.820 0.091 0.000 1.902 201 A HA -0.111 4.209 4.320 0.001 0.000 0.217 201 A C 2.132 179.773 177.584 0.096 0.000 1.181 201 A CA 1.651 53.735 52.037 0.078 0.000 0.623 201 A CB -0.816 18.227 19.000 0.072 0.000 0.818 201 A HN 0.692 nan 8.150 nan 0.000 0.443 202 Y N 0.542 120.846 120.300 0.007 0.000 2.128 202 Y HA -0.192 4.358 4.550 0.001 0.000 0.284 202 Y C 2.015 177.908 175.900 -0.011 0.000 1.154 202 Y CA 1.941 60.040 58.100 -0.003 0.000 1.149 202 Y CB -0.303 38.152 38.460 -0.008 0.000 0.976 202 Y HN 0.227 nan 8.280 nan 0.000 0.505 203 L N -0.712 120.556 121.223 0.075 0.000 2.083 203 L HA -0.238 4.102 4.340 0.001 0.000 0.209 203 L C 2.723 179.572 176.870 -0.035 0.000 1.083 203 L CA 1.084 55.916 54.840 -0.013 0.000 0.752 203 L CB -0.935 41.163 42.059 0.065 0.000 0.899 203 L HN 0.328 nan 8.230 nan 0.000 0.433 204 A N -0.212 122.608 122.820 -0.001 0.000 1.898 204 A HA -0.230 4.091 4.320 0.001 0.000 0.216 204 A C 2.555 180.127 177.584 -0.020 0.000 1.181 204 A CA 1.953 53.996 52.037 0.011 0.000 0.620 204 A CB -0.720 18.293 19.000 0.022 0.000 0.819 204 A HN 0.462 nan 8.150 nan 0.000 0.442 205 S N -0.924 114.731 115.700 -0.075 0.000 2.402 205 S HA -0.198 4.272 4.470 0.001 0.000 0.229 205 S C 1.955 176.482 174.600 -0.122 0.000 1.021 205 S CA 1.474 59.617 58.200 -0.095 0.000 0.974 205 S CB -0.403 62.726 63.200 -0.118 0.000 0.800 205 S HN 0.545 nan 8.310 nan 0.000 0.484 206 Q N 1.055 120.726 119.800 -0.215 0.000 2.119 206 Q HA 0.135 4.475 4.340 0.001 0.000 0.201 206 Q C 2.623 178.690 176.000 0.113 0.000 0.972 206 Q CA 1.495 57.202 55.803 -0.160 0.000 0.847 206 Q CB -0.980 27.511 28.738 -0.411 0.000 0.903 206 Q HN 0.744 nan 8.270 nan 0.000 0.433 207 A N 1.258 124.152 122.820 0.124 0.000 1.972 207 A HA -0.167 4.154 4.320 0.001 0.000 0.219 207 A C 2.141 179.799 177.584 0.124 0.000 1.169 207 A CA 1.065 53.218 52.037 0.194 0.000 0.635 207 A CB -0.300 18.787 19.000 0.144 0.000 0.810 207 A HN 0.210 nan 8.150 nan 0.000 0.446 208 R N -0.713 119.832 120.500 0.074 0.000 2.073 208 R HA -0.086 4.255 4.340 0.001 0.000 0.229 208 R C 2.390 178.730 176.300 0.067 0.000 1.120 208 R CA 1.395 57.531 56.100 0.059 0.000 0.967 208 R CB -0.347 29.972 30.300 0.032 0.000 0.862 208 R HN 0.682 nan 8.270 nan 0.000 0.436 209 Q N 0.608 120.446 119.800 0.064 0.000 2.084 209 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 209 Q C 2.171 178.239 176.000 0.115 0.000 0.978 209 Q CA 1.173 57.016 55.803 0.067 0.000 0.844 209 Q CB -0.202 28.565 28.738 0.048 0.000 0.898 209 Q HN 0.141 nan 8.270 nan 0.000 0.426 210 L N 0.874 122.203 121.223 0.177 0.000 2.012 210 L HA -0.206 4.134 4.340 0.001 0.000 0.210 210 L C 2.202 179.207 176.870 0.224 0.000 1.073 210 L CA 2.212 57.182 54.840 0.216 0.000 0.748 210 L CB -0.900 41.245 42.059 0.144 0.000 0.891 210 L HN 0.153 nan 8.230 nan 0.000 0.431 211 A N -0.648 122.263 122.820 0.151 0.000 1.865 211 A HA -0.267 4.054 4.320 0.001 0.000 0.217 211 A C 1.998 179.652 177.584 0.116 0.000 1.191 211 A CA 2.040 54.158 52.037 0.135 0.000 0.623 211 A CB -1.096 17.959 19.000 0.091 0.000 0.826 211 A HN 0.556 nan 8.150 nan 0.000 0.444 212 D N 0.008 120.452 120.400 0.074 0.000 2.158 212 D HA -0.100 4.540 4.640 0.001 0.000 0.197 212 D C 2.129 178.425 176.300 -0.007 0.000 0.995 212 D CA 1.634 55.655 54.000 0.034 0.000 0.846 212 D CB -0.432 40.381 40.800 0.021 0.000 0.941 212 D HN 0.395 nan 8.370 nan 0.000 0.456 213 S N -0.920 114.765 115.700 -0.025 0.000 2.453 213 S HA -0.078 4.393 4.470 0.001 0.000 0.231 213 S C 0.408 174.710 174.600 -0.497 0.000 1.005 213 S CA 0.430 58.479 58.200 -0.252 0.000 0.949 213 S CB 0.004 63.028 63.200 -0.293 0.000 0.774 213 S HN 0.353 nan 8.310 nan 0.000 0.510 214 Y N 0.469 120.788 120.300 0.032 0.000 2.658 214 Y HA 0.231 4.782 4.550 0.001 0.000 0.273 214 Y C 1.496 177.422 175.900 0.044 0.000 0.992 214 Y CA -0.720 57.405 58.100 0.043 0.000 1.105 214 Y CB -0.319 38.174 38.460 0.055 0.000 1.188 214 Y HN 0.148 nan 8.280 nan 0.000 0.616 215 S N -0.696 115.072 115.700 0.113 0.000 2.423 215 S HA -0.286 4.184 4.470 0.001 0.000 0.238 215 S C 1.682 176.327 174.600 0.074 0.000 1.028 215 S CA 1.490 59.739 58.200 0.081 0.000 1.000 215 S CB -0.096 63.129 63.200 0.041 0.000 0.797 215 S HN 0.519 nan 8.310 nan 0.000 0.487 216 K N 0.902 121.352 120.400 0.084 0.000 2.365 216 K HA 0.144 4.464 4.320 0.001 0.000 0.199 216 K C 1.189 177.814 176.600 0.041 0.000 1.045 216 K CA 0.884 57.206 56.287 0.057 0.000 0.962 216 K CB -0.040 32.494 32.500 0.057 0.000 0.759 216 K HN 0.410 nan 8.250 nan 0.000 0.469 217 N N -0.519 118.228 118.700 0.078 0.000 2.211 217 N HA 0.049 4.789 4.740 0.001 0.000 0.216 217 N C -0.678 174.839 175.510 0.012 0.000 1.240 217 N CA 0.196 53.241 53.050 -0.009 0.000 0.895 217 N CB 1.498 40.003 38.487 0.031 0.000 1.102 217 N HN -0.166 nan 8.380 nan 0.000 0.498 218 V N 2.527 122.510 119.914 0.115 0.000 2.459 218 V HA 0.534 4.654 4.120 0.001 0.000 0.295 218 V C -0.165 175.975 176.094 0.077 0.000 1.029 218 V CA -0.550 61.818 62.300 0.113 0.000 0.874 218 V CB 2.258 34.178 31.823 0.161 0.000 0.985 218 V HN -0.031 nan 8.190 nan 0.000 0.438 219 I N 3.040 123.640 120.570 0.049 0.000 2.545 219 I HA 0.529 4.699 4.170 0.001 0.000 0.292 219 I C -0.197 175.949 176.117 0.048 0.000 1.040 219 I CA -0.237 61.090 61.300 0.045 0.000 1.068 219 I CB 2.596 40.614 38.000 0.030 0.000 1.251 219 I HN 0.508 nan 8.210 nan 0.000 0.424 220 T N 5.585 120.172 114.554 0.056 0.000 2.841 220 T HA 0.578 4.928 4.350 0.001 0.000 0.283 220 T C -0.524 174.213 174.700 0.063 0.000 1.000 220 T CA -0.672 61.465 62.100 0.061 0.000 0.977 220 T CB 1.427 70.336 68.868 0.068 0.000 0.979 220 T HN 0.465 nan 8.240 nan 0.000 0.446 221 R N 1.435 121.980 120.500 0.074 0.000 2.686 221 R HA 0.767 5.107 4.340 0.001 0.000 0.286 221 R C -1.407 174.933 176.300 0.066 0.000 0.969 221 R CA -0.873 55.274 56.100 0.077 0.000 0.898 221 R CB 2.215 32.582 30.300 0.111 0.000 1.183 221 R HN 0.332 nan 8.270 nan 0.000 0.456 222 V N 4.176 124.116 119.914 0.044 0.000 2.407 222 V HA 0.368 4.488 4.120 0.001 0.000 0.291 222 V C -0.662 175.428 176.094 -0.007 0.000 1.018 222 V CA -0.767 61.545 62.300 0.021 0.000 0.842 222 V CB 1.608 33.442 31.823 0.019 0.000 0.996 222 V HN 0.531 nan 8.190 nan 0.000 0.426 223 I N 4.618 125.159 120.570 -0.048 0.000 2.304 223 I HA 0.611 4.781 4.170 0.001 0.000 0.291 223 I C 0.983 177.022 176.117 -0.131 0.000 1.018 223 I CA 0.549 61.789 61.300 -0.100 0.000 1.260 223 I CB 1.336 39.219 38.000 -0.194 0.000 1.390 223 I HN 0.671 nan 8.210 nan 0.000 0.475 224 G N 4.024 112.763 108.800 -0.102 0.000 2.537 224 G HA2 0.286 4.246 3.960 0.001 0.000 0.297 224 G HA3 0.286 4.246 3.960 0.001 0.000 0.297 224 G C 0.577 175.395 174.900 -0.137 0.000 1.310 224 G CA -0.292 44.747 45.100 -0.102 0.000 1.027 224 G HN 0.632 nan 8.290 nan 0.000 0.505 225 E N -1.028 119.105 120.200 -0.111 0.000 2.038 225 E HA -0.212 4.138 4.350 0.001 0.000 0.195 225 E C 2.415 178.962 176.600 -0.088 0.000 1.000 225 E CA 1.423 57.756 56.400 -0.113 0.000 0.803 225 E CB 0.006 29.665 29.700 -0.069 0.000 0.750 225 E HN 0.447 nan 8.360 nan 0.000 0.448 226 Q N 1.096 120.863 119.800 -0.056 0.000 2.096 226 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 226 Q C 1.852 177.824 176.000 -0.047 0.000 0.982 226 Q CA 1.821 57.602 55.803 -0.037 0.000 0.850 226 Q CB -0.115 28.610 28.738 -0.022 0.000 0.901 226 Q HN 0.297 nan 8.270 nan 0.000 0.422 227 Q N -1.114 118.648 119.800 -0.062 0.000 2.119 227 Q HA -0.060 4.280 4.340 0.001 0.000 0.201 227 Q C 2.127 178.069 176.000 -0.097 0.000 0.972 227 Q CA 1.510 57.275 55.803 -0.062 0.000 0.847 227 Q CB -0.085 28.617 28.738 -0.059 0.000 0.903 227 Q HN 0.431 nan 8.270 nan 0.000 0.433 228 M N 0.270 119.776 119.600 -0.157 0.000 2.159 228 M HA -0.182 4.299 4.480 0.001 0.000 0.263 228 M C 2.209 178.395 176.300 -0.191 0.000 1.063 228 M CA 1.311 56.480 55.300 -0.218 0.000 1.110 228 M CB -0.110 32.292 32.600 -0.329 0.000 1.374 228 M HN 0.039 nan 8.290 nan 0.000 0.411 229 K N 0.637 120.960 120.400 -0.128 0.000 2.057 229 K HA -0.182 4.139 4.320 0.001 0.000 0.206 229 K C 1.644 178.208 176.600 -0.059 0.000 1.050 229 K CA 1.538 57.778 56.287 -0.078 0.000 0.935 229 K CB 0.030 32.536 32.500 0.010 0.000 0.715 229 K HN 0.338 nan 8.250 nan 0.000 0.439 230 E N 0.401 120.577 120.200 -0.040 0.000 2.110 230 E HA -0.155 4.196 4.350 0.001 0.000 0.193 230 E C 1.745 178.331 176.600 -0.024 0.000 0.988 230 E CA 0.995 57.386 56.400 -0.015 0.000 0.804 230 E CB 0.047 29.742 29.700 -0.009 0.000 0.745 230 E HN 0.283 nan 8.360 nan 0.000 0.458 231 L N -0.672 120.521 121.223 -0.051 0.000 2.599 231 L HA 0.121 4.462 4.340 0.001 0.000 0.230 231 L C 1.262 178.084 176.870 -0.080 0.000 1.141 231 L CA 0.320 55.141 54.840 -0.032 0.000 0.877 231 L CB 0.109 42.172 42.059 0.007 0.000 1.009 231 L HN 0.290 nan 8.230 nan 0.000 0.447 232 G N 0.208 108.890 108.800 -0.195 0.000 2.147 232 G HA2 -0.327 3.633 3.960 0.001 0.000 0.244 232 G HA3 -0.327 3.633 3.960 0.001 0.000 0.244 232 G C 0.388 174.999 174.900 -0.481 0.000 1.005 232 G CA -0.020 44.864 45.100 -0.360 0.000 0.713 232 G HN 0.315 nan 8.290 nan 0.000 0.515 233 M N 1.423 120.780 119.600 -0.405 0.000 3.706 233 M HA 0.247 4.727 4.480 0.001 0.000 0.204 233 M C 1.492 177.658 176.300 -0.222 0.000 1.455 233 M CA -0.312 54.852 55.300 -0.227 0.000 1.659 233 M CB -0.149 32.350 32.600 -0.169 0.000 1.076 233 M HN 0.229 nan 8.290 nan 0.000 0.577 234 H N -1.089 118.001 119.070 0.034 0.000 2.457 234 H HA -0.066 4.490 4.556 0.001 0.000 0.294 234 H C 2.293 177.641 175.328 0.033 0.000 1.064 234 H CA 1.337 57.403 56.048 0.029 0.000 1.330 234 H CB 0.017 29.801 29.762 0.037 0.000 1.395 234 H HN 0.497 nan 8.280 nan 0.000 0.541 235 S N 0.187 115.972 115.700 0.141 0.000 2.355 235 S HA -0.187 4.284 4.470 0.001 0.000 0.222 235 S C 2.099 176.727 174.600 0.047 0.000 1.031 235 S CA 0.784 59.036 58.200 0.087 0.000 0.993 235 S CB -0.418 62.826 63.200 0.073 0.000 0.859 235 S HN 0.381 nan 8.310 nan 0.000 0.453 236 Y N 1.984 122.234 120.300 -0.083 0.000 2.128 236 Y HA -0.017 4.533 4.550 0.000 0.000 0.284 236 Y C 2.004 177.833 175.900 -0.119 0.000 1.154 236 Y CA 1.424 59.460 58.100 -0.107 0.000 1.149 236 Y CB -0.776 37.626 38.460 -0.097 0.000 0.976 236 Y HN 0.266 nan 8.280 nan 0.000 0.505 237 L N -0.688 120.604 121.223 0.115 0.000 2.083 237 L HA -0.236 4.104 4.340 0.001 0.000 0.209 237 L C 2.688 179.552 176.870 -0.010 0.000 1.083 237 L CA 1.220 56.079 54.840 0.031 0.000 0.752 237 L CB -0.839 41.231 42.059 0.017 0.000 0.899 237 L HN 0.275 nan 8.230 nan 0.000 0.433 238 A N -0.649 122.135 122.820 -0.059 0.000 1.930 238 A HA -0.128 4.193 4.320 0.001 0.000 0.217 238 A C 2.315 179.581 177.584 -0.530 0.000 1.175 238 A CA 1.507 53.430 52.037 -0.190 0.000 0.627 238 A CB -0.691 18.224 19.000 -0.142 0.000 0.815 238 A HN 0.194 nan 8.150 nan 0.000 0.443 239 V N -0.331 119.233 119.914 -0.583 0.000 2.343 239 V HA -0.164 3.957 4.120 0.001 0.000 0.247 239 V C 2.522 178.477 176.094 -0.231 0.000 1.051 239 V CA 2.012 63.929 62.300 -0.638 0.000 1.036 239 V CB -1.031 30.577 31.823 -0.358 0.000 0.654 239 V HN 0.617 nan 8.190 nan 0.000 0.451 240 G N -2.023 106.728 108.800 -0.082 0.000 3.042 240 G HA2 -0.046 3.915 3.960 0.001 0.000 0.212 240 G HA3 -0.046 3.915 3.960 0.001 0.000 0.212 240 G C 1.264 176.171 174.900 0.012 0.000 1.166 240 G CA 0.058 45.160 45.100 0.004 0.000 0.767 240 G HN 0.470 nan 8.290 nan 0.000 0.546 241 Q N 0.130 119.926 119.800 -0.007 0.000 2.096 241 Q HA -0.084 4.257 4.340 0.001 0.000 0.204 241 Q C 2.664 178.690 176.000 0.044 0.000 0.982 241 Q CA 1.589 57.405 55.803 0.022 0.000 0.850 241 Q CB -0.266 28.490 28.738 0.031 0.000 0.901 241 Q HN 0.426 nan 8.270 nan 0.000 0.422 242 G N -0.287 108.552 108.800 0.066 0.000 2.443 242 G HA2 -0.149 3.811 3.960 0.001 0.000 0.219 242 G HA3 -0.149 3.811 3.960 0.001 0.000 0.219 242 G C 0.585 175.521 174.900 0.061 0.000 1.131 242 G CA 0.560 45.706 45.100 0.077 0.000 0.775 242 G HN 0.304 nan 8.290 nan 0.000 0.547 243 S N -0.386 115.348 115.700 0.056 0.000 2.585 243 S HA 0.241 4.712 4.470 0.001 0.000 0.277 243 S C 1.488 176.111 174.600 0.038 0.000 1.241 243 S CA 0.094 58.324 58.200 0.051 0.000 1.041 243 S CB 1.458 64.694 63.200 0.060 0.000 0.987 243 S HN 0.515 nan 8.310 nan 0.000 0.512 244 Q N 2.896 122.715 119.800 0.031 0.000 2.378 244 Q HA 0.044 4.385 4.340 0.001 0.000 0.205 244 Q C 0.002 176.016 176.000 0.023 0.000 0.954 244 Q CA 0.713 56.530 55.803 0.022 0.000 0.901 244 Q CB -0.470 28.277 28.738 0.015 0.000 0.981 244 Q HN 0.701 nan 8.270 nan 0.000 0.483 245 N N 2.254 120.972 118.700 0.030 0.000 2.497 245 N HA 0.001 4.741 4.740 0.001 0.000 0.268 245 N C -0.864 174.666 175.510 0.034 0.000 1.171 245 N CA -0.173 52.896 53.050 0.033 0.000 0.948 245 N CB 0.682 39.195 38.487 0.043 0.000 1.069 245 N HN 0.287 nan 8.380 nan 0.000 0.460 246 E N 1.561 121.777 120.200 0.027 0.000 2.338 246 E HA 0.059 4.410 4.350 0.001 0.000 0.272 246 E C -0.753 175.864 176.600 0.029 0.000 1.029 246 E CA -0.518 55.892 56.400 0.018 0.000 0.872 246 E CB 0.666 30.369 29.700 0.005 0.000 1.015 246 E HN 0.388 nan 8.360 nan 0.000 0.417 247 S N 3.951 119.664 115.700 0.021 0.000 2.528 247 S HA 0.301 4.771 4.470 0.001 0.000 0.277 247 S C -0.314 174.271 174.600 -0.025 0.000 1.297 247 S CA -0.349 57.885 58.200 0.056 0.000 1.052 247 S CB 0.260 63.502 63.200 0.069 0.000 0.917 247 S HN 0.400 nan 8.310 nan 0.000 0.492 248 L N 3.321 124.564 121.223 0.035 0.000 2.439 248 L HA 0.488 4.828 4.340 0.001 0.000 0.270 248 L C -0.568 176.330 176.870 0.045 0.000 0.972 248 L CA -0.251 54.585 54.840 -0.006 0.000 0.836 248 L CB 1.822 43.893 42.059 0.020 0.000 1.255 248 L HN 0.575 nan 8.230 nan 0.000 0.404 249 M N 2.994 122.575 119.600 -0.032 0.000 2.061 249 M HA 0.421 4.901 4.480 0.001 0.000 0.346 249 M C -0.855 175.456 176.300 0.017 0.000 1.112 249 M CA -0.024 55.291 55.300 0.027 0.000 1.021 249 M CB 1.145 33.701 32.600 -0.074 0.000 1.530 249 M HN 0.531 nan 8.290 nan 0.000 0.437 250 S N 3.926 119.665 115.700 0.065 0.000 2.475 250 S HA 0.483 4.954 4.470 0.001 0.000 0.281 250 S C -0.571 174.084 174.600 0.092 0.000 1.198 250 S CA -0.719 57.524 58.200 0.072 0.000 1.063 250 S CB 1.127 64.379 63.200 0.086 0.000 0.972 250 S HN 0.599 nan 8.310 nan 0.000 0.486 251 V N 5.484 125.457 119.914 0.097 0.000 2.334 251 V HA 0.419 4.539 4.120 0.001 0.000 0.281 251 V C -0.333 175.802 176.094 0.069 0.000 1.016 251 V CA -0.482 61.887 62.300 0.115 0.000 0.832 251 V CB 0.846 32.791 31.823 0.204 0.000 0.999 251 V HN 0.771 nan 8.190 nan 0.000 0.439 252 I N 4.603 125.197 120.570 0.039 0.000 2.359 252 I HA 0.406 4.577 4.170 0.001 0.000 0.284 252 I C 0.119 176.224 176.117 -0.020 0.000 1.018 252 I CA -0.299 61.014 61.300 0.021 0.000 1.173 252 I CB 1.241 39.253 38.000 0.020 0.000 1.326 252 I HN 0.596 nan 8.210 nan 0.000 0.462 253 E N 5.821 126.007 120.200 -0.023 0.000 2.146 253 E HA 0.227 4.577 4.350 0.001 0.000 0.282 253 E C -1.332 175.277 176.600 0.015 0.000 0.989 253 E CA -0.652 55.715 56.400 -0.056 0.000 0.799 253 E CB 1.763 31.407 29.700 -0.092 0.000 1.088 253 E HN 0.412 nan 8.360 nan 0.000 0.397 254 Y N 3.307 123.545 120.300 -0.102 0.000 2.356 254 Y HA 0.243 4.794 4.550 0.002 0.000 0.334 254 Y C -0.710 175.145 175.900 -0.075 0.000 0.958 254 Y CA -0.997 57.049 58.100 -0.089 0.000 1.196 254 Y CB 0.883 39.276 38.460 -0.111 0.000 1.137 254 Y HN 0.285 nan 8.280 nan 0.000 0.485 255 K N 4.572 124.587 120.400 -0.642 0.000 2.299 255 K HA 0.439 4.760 4.320 0.001 0.000 0.268 255 K C 0.387 176.520 176.600 -0.778 0.000 1.075 255 K CA -0.156 55.814 56.287 -0.528 0.000 0.936 255 K CB 0.265 32.603 32.500 -0.270 0.000 1.228 255 K HN 0.992 nan 8.250 nan 0.000 0.454 256 G N 3.006 111.353 108.800 -0.755 0.000 3.324 256 G HA2 0.013 3.974 3.960 0.001 0.000 0.251 256 G HA3 0.013 3.974 3.960 0.001 0.000 0.251 256 G C -0.287 174.515 174.900 -0.164 0.000 1.072 256 G CA -0.246 44.572 45.100 -0.471 0.000 0.787 256 G HN 0.684 nan 8.290 nan 0.000 0.537 257 N N -0.679 117.927 118.700 -0.156 0.000 2.500 257 N HA 0.459 5.200 4.740 0.001 0.000 0.291 257 N C 0.951 176.416 175.510 -0.076 0.000 1.092 257 N CA -0.180 52.822 53.050 -0.080 0.000 0.890 257 N CB 1.506 39.964 38.487 -0.048 0.000 1.466 257 N HN -0.096 nan 8.380 nan 0.000 0.507 258 A N 1.997 124.783 122.820 -0.057 0.000 2.016 258 A HA 0.008 4.328 4.320 0.001 0.000 0.217 258 A C 0.959 178.524 177.584 -0.031 0.000 1.162 258 A CA 0.659 52.669 52.037 -0.046 0.000 0.662 258 A CB -0.494 18.485 19.000 -0.036 0.000 0.812 258 A HN 0.734 nan 8.150 nan 0.000 0.450 259 S N 0.612 116.298 115.700 -0.024 0.000 2.573 259 S HA -0.030 4.440 4.470 0.001 0.000 0.297 259 S C 0.258 174.850 174.600 -0.014 0.000 1.280 259 S CA 0.450 58.640 58.200 -0.016 0.000 1.061 259 S CB 0.282 63.475 63.200 -0.012 0.000 0.812 259 S HN 0.512 nan 8.310 nan 0.000 0.500 260 E N 1.198 121.393 120.200 -0.009 0.000 2.512 260 E HA -0.043 4.308 4.350 0.001 0.000 0.195 260 E C 0.170 176.770 176.600 -0.000 0.000 1.083 260 E CA 0.625 57.023 56.400 -0.004 0.000 0.873 260 E CB -0.108 29.591 29.700 -0.002 0.000 0.897 260 E HN 0.890 nan 8.360 nan 0.000 0.514 261 D N -0.293 120.107 120.400 -0.001 0.000 2.462 261 D HA 0.111 4.751 4.640 0.001 0.000 0.221 261 D C -0.001 176.301 176.300 0.003 0.000 1.173 261 D CA -0.420 53.582 54.000 0.003 0.000 0.831 261 D CB 0.112 40.914 40.800 0.003 0.000 1.001 261 D HN -0.014 nan 8.370 nan 0.000 0.499 262 A N 1.062 123.881 122.820 -0.002 0.000 2.310 262 A HA 0.489 4.810 4.320 0.001 0.000 0.300 262 A C 0.166 177.750 177.584 0.001 0.000 1.269 262 A CA -0.643 51.391 52.037 -0.006 0.000 0.909 262 A CB 0.443 19.432 19.000 -0.019 0.000 1.144 262 A HN -0.034 nan 8.150 nan 0.000 0.540 263 R N 3.457 123.962 120.500 0.009 0.000 2.254 263 R HA 0.399 4.740 4.340 0.001 0.000 0.318 263 R C -2.617 173.693 176.300 0.016 0.000 1.031 263 R CA -2.230 53.881 56.100 0.019 0.000 0.905 263 R CB 0.984 31.300 30.300 0.028 0.000 1.050 263 R HN 0.569 nan 8.270 nan 0.000 0.456 264 P HA 0.193 nan 4.420 nan 0.000 0.275 264 P C -0.235 177.074 177.300 0.015 0.000 1.228 264 P CA -0.150 62.948 63.100 -0.004 0.000 0.786 264 P CB 0.963 32.636 31.700 -0.047 0.000 0.927 265 I N 2.034 122.621 120.570 0.028 0.000 2.336 265 I HA 0.213 4.384 4.170 0.001 0.000 0.292 265 I C 0.002 176.139 176.117 0.033 0.000 0.991 265 I CA -0.924 60.418 61.300 0.069 0.000 1.227 265 I CB 1.661 39.743 38.000 0.137 0.000 1.366 265 I HN 0.018 nan 8.210 nan 0.000 0.466 266 V N 7.722 127.649 119.914 0.021 0.000 2.384 266 V HA 0.399 4.519 4.120 0.001 0.000 0.287 266 V C -0.024 176.096 176.094 0.045 0.000 1.020 266 V CA -0.578 61.729 62.300 0.011 0.000 0.850 266 V CB 1.621 33.452 31.823 0.012 0.000 0.987 266 V HN 0.459 nan 8.190 nan 0.000 0.436 267 L N 5.635 126.888 121.223 0.050 0.000 2.287 267 L HA 0.624 4.965 4.340 0.001 0.000 0.287 267 L C -0.667 176.256 176.870 0.088 0.000 1.022 267 L CA -0.707 54.170 54.840 0.063 0.000 0.814 267 L CB 1.784 43.871 42.059 0.047 0.000 1.217 267 L HN 0.340 nan 8.230 nan 0.000 0.420 268 V N 2.322 122.306 119.914 0.116 0.000 2.350 268 V HA 0.568 4.689 4.120 0.001 0.000 0.285 268 V C 0.498 176.667 176.094 0.125 0.000 1.014 268 V CA -0.464 61.918 62.300 0.137 0.000 0.831 268 V CB 1.511 33.440 31.823 0.176 0.000 1.000 268 V HN 0.874 nan 8.190 nan 0.000 0.433 269 G N 3.220 112.084 108.800 0.108 0.000 2.416 269 G HA2 0.471 4.432 3.960 0.001 0.000 0.324 269 G HA3 0.471 4.432 3.960 0.001 0.000 0.324 269 G C -0.472 174.474 174.900 0.077 0.000 1.194 269 G CA -0.726 44.433 45.100 0.097 0.000 0.922 269 G HN 0.680 nan 8.290 nan 0.000 0.467 270 K N 1.664 122.104 120.400 0.067 0.000 2.402 270 K HA 0.262 4.583 4.320 0.001 0.000 0.285 270 K C 0.744 177.361 176.600 0.028 0.000 1.054 270 K CA 0.031 56.333 56.287 0.025 0.000 1.001 270 K CB 0.272 32.793 32.500 0.035 0.000 0.946 270 K HN 0.427 nan 8.250 nan 0.000 0.473 271 G N 5.945 114.748 108.800 0.005 0.000 4.804 271 G HA2 0.169 4.130 3.960 0.001 0.000 0.310 271 G HA3 0.169 4.130 3.960 0.001 0.000 0.310 271 G C -0.280 174.625 174.900 0.008 0.000 1.389 271 G CA -0.507 44.610 45.100 0.028 0.000 1.106 271 G HN 0.493 nan 8.290 nan 0.000 0.595 272 L N 2.972 124.184 121.223 -0.018 0.000 2.536 272 L HA 0.092 4.432 4.340 0.001 0.000 0.282 272 L C 2.161 179.020 176.870 -0.018 0.000 1.147 272 L CA 0.602 55.421 54.840 -0.035 0.000 0.936 272 L CB -0.221 41.796 42.059 -0.071 0.000 1.279 272 L HN 0.476 nan 8.230 nan 0.000 0.461 273 T N 1.112 115.679 114.554 0.022 0.000 2.849 273 T HA -0.152 4.198 4.350 0.001 0.000 0.270 273 T C 0.439 175.199 174.700 0.101 0.000 1.066 273 T CA 0.825 62.951 62.100 0.044 0.000 1.130 273 T CB -0.005 68.897 68.868 0.058 0.000 0.864 273 T HN 0.212 nan 8.240 nan 0.000 0.481 274 F N 0.463 120.375 119.950 -0.063 0.000 2.628 274 F HA 0.530 5.058 4.527 0.001 0.000 0.309 274 F C -2.249 173.522 175.800 -0.047 0.000 1.108 274 F CA -1.983 55.971 58.000 -0.076 0.000 0.971 274 F CB 2.245 41.201 39.000 -0.073 0.000 1.279 274 F HN -0.098 nan 8.300 nan 0.000 0.441 275 D N 1.872 121.580 120.400 -1.154 0.000 2.389 275 D HA 0.243 4.883 4.640 0.001 0.000 0.256 275 D C 0.175 175.991 176.300 -0.807 0.000 1.239 275 D CA 0.065 53.666 54.000 -0.665 0.000 0.925 275 D CB 1.431 41.997 40.800 -0.389 0.000 1.145 275 D HN 0.444 nan 8.370 nan 0.000 0.542 276 S N 1.832 117.302 115.700 -0.383 0.000 2.562 276 S HA 0.290 4.761 4.470 0.001 0.000 0.221 276 S C 1.682 176.250 174.600 -0.054 0.000 0.975 276 S CA 0.615 58.770 58.200 -0.075 0.000 0.918 276 S CB 0.254 63.568 63.200 0.189 0.000 0.772 276 S HN 0.787 nan 8.310 nan 0.000 0.531 277 G N 0.562 109.315 108.800 -0.079 0.000 2.258 277 G HA2 0.151 4.112 3.960 0.001 0.000 0.233 277 G HA3 0.151 4.112 3.960 0.001 0.000 0.233 277 G C 1.156 176.056 174.900 -0.000 0.000 1.006 277 G CA 0.251 45.328 45.100 -0.038 0.000 0.620 277 G HN 1.828 nan 8.290 nan 0.000 0.511 278 G N 0.208 109.024 108.800 0.027 0.000 2.525 278 G HA2 -0.111 3.849 3.960 0.001 0.000 0.248 278 G HA3 -0.111 3.849 3.960 0.001 0.000 0.248 278 G C 0.897 175.799 174.900 0.004 0.000 1.238 278 G CA 0.336 45.466 45.100 0.049 0.000 0.926 278 G HN 0.964 nan 8.290 nan 0.000 0.574 279 I N 1.169 121.718 120.570 -0.035 0.000 2.248 279 I HA -0.100 4.070 4.170 0.001 0.000 0.248 279 I C 2.180 178.264 176.117 -0.055 0.000 1.107 279 I CA 2.157 63.426 61.300 -0.052 0.000 1.373 279 I CB -1.332 36.613 38.000 -0.093 0.000 1.055 279 I HN 0.345 nan 8.210 nan 0.000 0.418 280 S N 1.888 117.543 115.700 -0.075 0.000 4.069 280 S HA 0.222 4.692 4.470 0.001 0.000 0.192 280 S C 0.578 175.160 174.600 -0.031 0.000 1.441 280 S CA -0.242 57.924 58.200 -0.057 0.000 0.994 280 S CB -0.813 62.343 63.200 -0.073 0.000 1.456 280 S HN 0.194 nan 8.310 nan 0.000 0.458 281 I N 2.199 122.759 120.570 -0.016 0.000 2.815 281 I HA -0.018 4.153 4.170 0.001 0.000 0.291 281 I C 0.527 176.646 176.117 0.002 0.000 1.209 281 I CA 0.142 61.443 61.300 0.001 0.000 1.431 281 I CB 0.496 38.504 38.000 0.014 0.000 1.351 281 I HN 0.290 nan 8.210 nan 0.000 0.585 282 K N 6.898 127.302 120.400 0.007 0.000 2.107 282 K HA 0.370 4.690 4.320 0.001 0.000 0.251 282 K C -2.267 174.348 176.600 0.025 0.000 1.012 282 K CA -1.206 55.087 56.287 0.010 0.000 0.920 282 K CB 0.042 32.543 32.500 0.001 0.000 1.033 282 K HN 0.400 nan 8.250 nan 0.000 0.478 283 P HA 0.125 nan 4.420 nan 0.000 0.274 283 P C -0.010 177.316 177.300 0.042 0.000 1.246 283 P CA -0.309 62.809 63.100 0.031 0.000 0.795 283 P CB 0.840 32.558 31.700 0.030 0.000 1.006 284 S N -0.840 114.884 115.700 0.040 0.000 2.356 284 S HA -0.138 4.333 4.470 0.001 0.000 0.223 284 S C 0.743 175.374 174.600 0.051 0.000 1.032 284 S CA 1.079 59.306 58.200 0.045 0.000 1.005 284 S CB -0.646 62.574 63.200 0.033 0.000 0.867 284 S HN 0.578 nan 8.310 nan 0.000 0.449 285 E N 1.068 121.296 120.200 0.047 0.000 2.606 285 E HA 0.245 4.595 4.350 0.001 0.000 0.248 285 E C 0.979 177.619 176.600 0.068 0.000 1.005 285 E CA 0.640 57.071 56.400 0.052 0.000 0.946 285 E CB -0.556 29.172 29.700 0.046 0.000 0.928 285 E HN 0.387 nan 8.360 nan 0.000 0.494 286 G N 4.699 113.542 108.800 0.071 0.000 2.187 286 G HA2 -0.381 3.579 3.960 0.001 0.000 0.261 286 G HA3 -0.381 3.579 3.960 0.001 0.000 0.261 286 G C 0.871 175.828 174.900 0.094 0.000 1.000 286 G CA 0.636 45.790 45.100 0.090 0.000 0.718 286 G HN 0.617 nan 8.290 nan 0.000 0.519 287 M N 0.734 120.389 119.600 0.092 0.000 2.374 287 M HA -0.053 4.428 4.480 0.001 0.000 0.264 287 M C 2.470 178.871 176.300 0.167 0.000 1.067 287 M CA 2.214 57.586 55.300 0.119 0.000 1.103 287 M CB -0.316 32.377 32.600 0.155 0.000 1.402 287 M HN 0.534 nan 8.290 nan 0.000 0.444 288 D N -0.158 120.303 120.400 0.102 0.000 2.221 288 D HA -0.251 4.389 4.640 0.001 0.000 0.204 288 D C 0.948 177.233 176.300 -0.025 0.000 0.982 288 D CA 1.257 55.289 54.000 0.052 0.000 0.857 288 D CB -0.750 40.041 40.800 -0.014 0.000 0.934 288 D HN 0.533 nan 8.370 nan 0.000 0.475 289 E N -0.389 119.790 120.200 -0.034 0.000 2.472 289 E HA -0.061 4.290 4.350 0.001 0.000 0.200 289 E C 1.611 177.989 176.600 -0.371 0.000 1.046 289 E CA 0.221 56.515 56.400 -0.177 0.000 0.871 289 E CB -0.065 29.660 29.700 0.042 0.000 0.806 289 E HN 0.308 nan 8.360 nan 0.000 0.533 290 M N 0.822 120.299 119.600 -0.206 0.000 2.659 290 M HA -0.064 4.417 4.480 0.001 0.000 0.243 290 M C 1.734 177.845 176.300 -0.316 0.000 1.111 290 M CA 0.971 56.059 55.300 -0.353 0.000 1.070 290 M CB -0.532 31.709 32.600 -0.598 0.000 1.525 290 M HN 0.084 nan 8.290 nan 0.000 0.517 291 K N -0.809 119.433 120.400 -0.262 0.000 2.365 291 K HA -0.126 4.194 4.320 0.001 0.000 0.199 291 K C 0.726 177.074 176.600 -0.420 0.000 1.045 291 K CA 1.101 57.235 56.287 -0.255 0.000 0.962 291 K CB -0.328 31.930 32.500 -0.403 0.000 0.759 291 K HN 0.200 nan 8.250 nan 0.000 0.469 292 Y N 1.460 121.496 120.300 -0.440 0.000 2.490 292 Y HA 0.067 4.618 4.550 0.001 0.000 0.281 292 Y C 0.999 176.716 175.900 -0.305 0.000 1.174 292 Y CA -0.242 57.562 58.100 -0.494 0.000 1.295 292 Y CB -0.068 37.736 38.460 -1.094 0.000 1.062 292 Y HN 0.151 nan 8.280 nan 0.000 0.522 293 D N 0.289 120.604 120.400 -0.142 0.000 2.378 293 D HA -0.067 4.574 4.640 0.001 0.000 0.227 293 D C 1.283 177.589 176.300 0.011 0.000 1.012 293 D CA 0.665 54.641 54.000 -0.039 0.000 0.905 293 D CB 0.075 40.802 40.800 -0.122 0.000 0.895 293 D HN 0.326 nan 8.370 nan 0.000 0.532 294 M N -2.629 116.983 119.600 0.020 0.000 2.405 294 M HA 0.300 4.781 4.480 0.001 0.000 0.292 294 M C 1.309 177.662 176.300 0.088 0.000 1.111 294 M CA -0.279 55.048 55.300 0.046 0.000 0.979 294 M CB -0.730 31.890 32.600 0.034 0.000 1.426 294 M HN -0.172 nan 8.290 nan 0.000 0.509 295 C N 1.419 120.796 119.300 0.128 0.000 2.409 295 C HA 0.041 4.502 4.460 0.001 0.000 0.284 295 C C 2.725 177.791 174.990 0.127 0.000 1.354 295 C CA 1.381 60.491 59.018 0.154 0.000 1.787 295 C CB -1.713 26.161 27.740 0.223 0.000 1.900 295 C HN 0.842 nan 8.230 nan 0.000 0.520 296 G N 0.222 109.091 108.800 0.115 0.000 2.394 296 G HA2 0.026 3.986 3.960 0.001 0.000 0.215 296 G HA3 0.026 3.986 3.960 0.001 0.000 0.215 296 G C 1.867 176.827 174.900 0.101 0.000 1.165 296 G CA 0.862 46.021 45.100 0.099 0.000 0.784 296 G HN 0.580 nan 8.290 nan 0.000 0.535 297 A N 1.183 124.063 122.820 0.101 0.000 1.930 297 A HA 0.309 4.629 4.320 0.001 0.000 0.217 297 A C 2.780 180.450 177.584 0.143 0.000 1.175 297 A CA 2.085 54.190 52.037 0.114 0.000 0.627 297 A CB -0.694 18.366 19.000 0.099 0.000 0.815 297 A HN 0.724 nan 8.150 nan 0.000 0.443 298 A N -0.151 122.746 122.820 0.130 0.000 1.933 298 A HA 0.160 4.480 4.320 0.001 0.000 0.218 298 A C 2.456 180.144 177.584 0.174 0.000 1.175 298 A CA 2.035 54.160 52.037 0.147 0.000 0.628 298 A CB -0.858 18.214 19.000 0.120 0.000 0.814 298 A HN 1.000 nan 8.150 nan 0.000 0.444 299 A N -0.761 122.137 122.820 0.129 0.000 1.929 299 A HA 0.099 4.420 4.320 0.001 0.000 0.216 299 A C 2.201 179.843 177.584 0.097 0.000 1.176 299 A CA 1.474 53.573 52.037 0.102 0.000 0.628 299 A CB -0.794 18.248 19.000 0.069 0.000 0.816 299 A HN 0.331 nan 8.150 nan 0.000 0.444 300 V N -1.176 118.801 119.914 0.104 0.000 2.295 300 V HA -0.298 3.822 4.120 0.001 0.000 0.246 300 V C 2.361 178.497 176.094 0.070 0.000 1.049 300 V CA 2.205 64.552 62.300 0.078 0.000 1.024 300 V CB -0.989 30.888 31.823 0.090 0.000 0.648 300 V HN 0.739 nan 8.190 nan 0.000 0.447 301 Y N 1.809 122.129 120.300 0.033 0.000 2.165 301 Y HA -0.172 4.378 4.550 0.001 0.000 0.286 301 Y C 2.275 178.185 175.900 0.016 0.000 1.155 301 Y CA 1.872 59.989 58.100 0.028 0.000 1.164 301 Y CB -0.728 37.759 38.460 0.045 0.000 0.978 301 Y HN 0.201 nan 8.280 nan 0.000 0.513 302 G N -0.989 107.892 108.800 0.135 0.000 2.448 302 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 302 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 302 G C 1.626 176.483 174.900 -0.072 0.000 1.135 302 G CA 0.963 46.096 45.100 0.056 0.000 0.784 302 G HN 0.372 nan 8.290 nan 0.000 0.543 303 V N 1.290 121.166 119.914 -0.063 0.000 2.379 303 V HA -0.128 3.992 4.120 0.001 0.000 0.245 303 V C 2.921 178.905 176.094 -0.182 0.000 1.044 303 V CA 1.457 63.705 62.300 -0.087 0.000 1.036 303 V CB -0.256 31.546 31.823 -0.036 0.000 0.664 303 V HN 0.261 nan 8.190 nan 0.000 0.453 304 M N -0.495 118.968 119.600 -0.228 0.000 2.159 304 M HA -0.150 4.330 4.480 0.001 0.000 0.263 304 M C 2.249 178.296 176.300 -0.422 0.000 1.063 304 M CA 1.593 56.704 55.300 -0.315 0.000 1.110 304 M CB -1.395 31.030 32.600 -0.293 0.000 1.374 304 M HN 0.261 nan 8.290 nan 0.000 0.411 305 R N -0.075 120.161 120.500 -0.440 0.000 2.096 305 R HA -0.134 4.206 4.340 0.001 0.000 0.235 305 R C 2.247 178.364 176.300 -0.306 0.000 1.127 305 R CA 1.190 57.066 56.100 -0.373 0.000 0.968 305 R CB -0.160 29.997 30.300 -0.238 0.000 0.861 305 R HN 0.288 nan 8.270 nan 0.000 0.440 306 M N 0.344 119.798 119.600 -0.243 0.000 2.156 306 M HA -0.108 4.372 4.480 0.001 0.000 0.264 306 M C 1.985 178.112 176.300 -0.288 0.000 1.067 306 M CA 1.406 56.586 55.300 -0.199 0.000 1.131 306 M CB -0.359 32.161 32.600 -0.134 0.000 1.368 306 M HN 0.141 nan 8.290 nan 0.000 0.416 307 V N 1.072 120.752 119.914 -0.390 0.000 2.548 307 V HA -0.118 4.002 4.120 0.001 0.000 0.249 307 V C 2.469 178.096 176.094 -0.779 0.000 1.055 307 V CA 1.669 63.646 62.300 -0.538 0.000 1.065 307 V CB -0.693 30.773 31.823 -0.596 0.000 0.681 307 V HN 0.573 nan 8.190 nan 0.000 0.462 308 A N -0.493 121.840 122.820 -0.813 0.000 1.898 308 A HA -0.231 4.090 4.320 0.001 0.000 0.216 308 A C 2.204 179.421 177.584 -0.612 0.000 1.181 308 A CA 1.834 53.333 52.037 -0.897 0.000 0.620 308 A CB -0.595 17.573 19.000 -1.387 0.000 0.819 308 A HN 0.685 nan 8.150 nan 0.000 0.442 309 E N -0.123 119.798 120.200 -0.464 0.000 2.077 309 E HA -0.138 4.213 4.350 0.001 0.000 0.193 309 E C 1.756 178.324 176.600 -0.053 0.000 0.989 309 E CA 1.111 57.452 56.400 -0.098 0.000 0.800 309 E CB -0.187 29.496 29.700 -0.029 0.000 0.746 309 E HN 0.586 nan 8.360 nan 0.000 0.452 310 L N 0.120 121.269 121.223 -0.124 0.000 2.478 310 L HA 0.007 4.348 4.340 0.001 0.000 0.223 310 L C 0.644 177.487 176.870 -0.045 0.000 1.140 310 L CA 0.426 55.223 54.840 -0.072 0.000 0.842 310 L CB -0.126 41.865 42.059 -0.112 0.000 0.953 310 L HN 0.274 nan 8.230 nan 0.000 0.452 311 Q N 0.797 120.554 119.800 -0.071 0.000 2.451 311 Q HA -0.190 4.150 4.340 0.001 0.000 0.305 311 Q C -0.380 175.687 176.000 0.112 0.000 1.345 311 Q CA 0.150 55.998 55.803 0.075 0.000 0.854 311 Q CB -1.566 27.235 28.738 0.106 0.000 1.162 311 Q HN 0.450 nan 8.270 nan 0.000 0.440 312 L N 1.610 122.854 121.223 0.035 0.000 2.490 312 L HA 0.088 4.428 4.340 0.001 0.000 0.274 312 L C -1.052 175.922 176.870 0.173 0.000 1.201 312 L CA -1.163 53.715 54.840 0.063 0.000 0.869 312 L CB -0.096 41.949 42.059 -0.024 0.000 1.123 312 L HN 0.061 nan 8.230 nan 0.000 0.484 313 P HA 0.111 nan 4.420 nan 0.000 0.232 313 P C -0.709 176.618 177.300 0.045 0.000 1.738 313 P CA 0.385 63.522 63.100 0.061 0.000 0.948 313 P CB -0.525 31.196 31.700 0.036 0.000 1.943 314 I N -2.808 117.817 120.570 0.091 0.000 3.191 314 I HA 0.555 4.726 4.170 0.001 0.000 0.313 314 I C -0.954 175.204 176.117 0.068 0.000 1.193 314 I CA -1.487 59.847 61.300 0.056 0.000 0.968 314 I CB 1.947 39.971 38.000 0.041 0.000 1.262 314 I HN -0.300 nan 8.210 nan 0.000 0.456 315 N N 1.712 120.427 118.700 0.024 0.000 2.372 315 N HA 0.690 5.431 4.740 0.001 0.000 0.291 315 N C -1.210 174.333 175.510 0.055 0.000 1.024 315 N CA -0.384 52.665 53.050 -0.001 0.000 0.873 315 N CB 2.552 41.005 38.487 -0.055 0.000 1.206 315 N HN 0.464 nan 8.380 nan 0.000 0.486 316 V N 2.729 122.707 119.914 0.106 0.000 2.760 316 V HA 0.540 4.660 4.120 0.001 0.000 0.309 316 V C -0.211 175.885 176.094 0.002 0.000 1.077 316 V CA -0.715 61.624 62.300 0.065 0.000 0.910 316 V CB 2.165 34.037 31.823 0.081 0.000 1.008 316 V HN 0.479 nan 8.190 nan 0.000 0.424 317 I N 2.953 123.483 120.570 -0.067 0.000 2.406 317 I HA 0.716 4.887 4.170 0.001 0.000 0.290 317 I C 0.517 176.598 176.117 -0.060 0.000 0.999 317 I CA -0.392 60.823 61.300 -0.141 0.000 1.124 317 I CB 2.128 39.898 38.000 -0.383 0.000 1.289 317 I HN 0.760 nan 8.210 nan 0.000 0.441 318 G N 5.571 114.353 108.800 -0.031 0.000 2.487 318 G HA2 0.605 4.566 3.960 0.001 0.000 0.314 318 G HA3 0.605 4.566 3.960 0.001 0.000 0.314 318 G C -1.028 173.904 174.900 0.053 0.000 1.267 318 G CA -0.351 44.759 45.100 0.015 0.000 0.937 318 G HN 0.322 nan 8.290 nan 0.000 0.481 319 V N 3.784 123.752 119.914 0.090 0.000 2.384 319 V HA 0.370 4.490 4.120 0.001 0.000 0.287 319 V C 0.042 176.208 176.094 0.120 0.000 1.020 319 V CA -0.632 61.742 62.300 0.123 0.000 0.850 319 V CB 1.431 33.358 31.823 0.173 0.000 0.987 319 V HN 0.610 nan 8.190 nan 0.000 0.436 320 L N 4.664 125.960 121.223 0.121 0.000 2.272 320 L HA 0.566 4.906 4.340 0.001 0.000 0.284 320 L C 0.767 177.710 176.870 0.121 0.000 1.045 320 L CA -0.452 54.460 54.840 0.120 0.000 0.842 320 L CB 1.160 43.297 42.059 0.130 0.000 1.224 320 L HN 0.719 nan 8.230 nan 0.000 0.430 321 A N 3.049 125.932 122.820 0.106 0.000 2.990 321 A HA 0.464 4.784 4.320 0.001 0.000 0.282 321 A C 0.914 178.544 177.584 0.077 0.000 1.688 321 A CA -0.244 51.858 52.037 0.107 0.000 1.391 321 A CB -0.541 18.445 19.000 -0.024 0.000 1.112 321 A HN 0.743 nan 8.150 nan 0.000 0.588 322 G N -0.063 108.838 108.800 0.167 0.000 2.380 322 G HA2 0.438 4.398 3.960 0.001 0.000 0.262 322 G HA3 0.438 4.398 3.960 0.001 0.000 0.262 322 G C -0.367 174.639 174.900 0.178 0.000 1.243 322 G CA 0.051 45.231 45.100 0.134 0.000 0.865 322 G HN 0.884 nan 8.290 nan 0.000 0.513 323 C N 1.571 120.926 119.300 0.091 0.000 3.306 323 C HA 0.771 5.232 4.460 0.001 0.000 0.335 323 C C -1.204 173.814 174.990 0.047 0.000 1.382 323 C CA -0.736 58.337 59.018 0.091 0.000 1.254 323 C CB 1.667 29.411 27.740 0.008 0.000 1.555 323 C HN 0.877 nan 8.230 nan 0.000 0.463 324 E N 2.219 122.449 120.200 0.050 0.000 2.290 324 E HA 0.373 4.723 4.350 0.001 0.000 0.274 324 E C -1.665 174.965 176.600 0.049 0.000 0.889 324 E CA -0.318 56.116 56.400 0.058 0.000 0.760 324 E CB 1.383 31.135 29.700 0.088 0.000 1.206 324 E HN 0.598 nan 8.360 nan 0.000 0.419 325 N N 4.987 123.709 118.700 0.037 0.000 2.501 325 N HA 0.291 5.032 4.740 0.001 0.000 0.245 325 N C -1.228 174.336 175.510 0.091 0.000 0.974 325 N CA -0.159 52.920 53.050 0.050 0.000 0.941 325 N CB 0.583 39.078 38.487 0.013 0.000 1.122 325 N HN 0.430 nan 8.380 nan 0.000 0.507 326 M N 3.261 122.928 119.600 0.112 0.000 2.591 326 M HA 0.529 5.009 4.480 0.001 0.000 0.306 326 M C -2.452 173.909 176.300 0.102 0.000 1.190 326 M CA -2.053 53.318 55.300 0.119 0.000 0.889 326 M CB 1.838 34.503 32.600 0.108 0.000 1.728 326 M HN 0.317 nan 8.290 nan 0.000 0.458 327 P HA 0.714 nan 4.420 nan 0.000 0.279 327 P C -0.382 176.951 177.300 0.054 0.000 1.252 327 P CA 0.014 63.151 63.100 0.061 0.000 0.811 327 P CB 1.665 33.392 31.700 0.045 0.000 1.035 328 G N -0.793 108.034 108.800 0.044 0.000 2.337 328 G HA2 0.319 4.279 3.960 0.001 0.000 0.298 328 G HA3 0.319 4.279 3.960 0.001 0.000 0.298 328 G C 0.509 175.430 174.900 0.034 0.000 1.335 328 G CA -0.144 44.978 45.100 0.037 0.000 0.875 328 G HN 0.470 nan 8.290 nan 0.000 0.579 329 G N -0.901 107.915 108.800 0.027 0.000 2.535 329 G HA2 0.076 4.036 3.960 0.001 0.000 0.218 329 G HA3 0.076 4.036 3.960 0.001 0.000 0.218 329 G C 1.103 176.021 174.900 0.031 0.000 1.122 329 G CA 0.972 46.087 45.100 0.024 0.000 0.769 329 G HN 0.609 nan 8.290 nan 0.000 0.549 330 R N -0.345 120.180 120.500 0.041 0.000 2.596 330 R HA 0.454 4.794 4.340 0.001 0.000 0.369 330 R C 0.448 176.794 176.300 0.077 0.000 1.042 330 R CA -0.116 56.014 56.100 0.050 0.000 1.120 330 R CB 0.912 31.237 30.300 0.042 0.000 1.353 330 R HN 0.198 nan 8.270 nan 0.000 0.564 331 A N 1.394 124.268 122.820 0.090 0.000 2.340 331 A HA 0.324 4.644 4.320 0.001 0.000 0.268 331 A C -0.192 177.512 177.584 0.200 0.000 1.100 331 A CA -0.590 51.540 52.037 0.154 0.000 0.803 331 A CB 0.077 19.158 19.000 0.135 0.000 1.043 331 A HN 0.314 nan 8.150 nan 0.000 0.488 332 Y N 1.211 121.521 120.300 0.016 0.000 2.511 332 Y HA 0.492 5.042 4.550 0.001 0.000 0.347 332 Y C 0.468 176.371 175.900 0.005 0.000 1.257 332 Y CA -0.754 57.354 58.100 0.013 0.000 1.469 332 Y CB 0.414 38.886 38.460 0.021 0.000 1.353 332 Y HN 0.779 nan 8.280 nan 0.000 0.617 333 R N 1.422 121.845 120.500 -0.128 0.000 2.912 333 R HA 0.635 4.976 4.340 0.001 0.000 0.262 333 R C -3.184 172.963 176.300 -0.256 0.000 1.057 333 R CA -2.374 53.584 56.100 -0.236 0.000 0.981 333 R CB 0.968 31.207 30.300 -0.101 0.000 1.201 333 R HN 0.337 nan 8.270 nan 0.000 0.484 334 P HA 0.066 nan 4.420 nan 0.000 0.267 334 P C 0.448 177.681 177.300 -0.111 0.000 1.205 334 P CA 1.315 64.318 63.100 -0.161 0.000 0.765 334 P CB 0.785 32.410 31.700 -0.126 0.000 0.828 335 G N 2.321 111.070 108.800 -0.086 0.000 2.307 335 G HA2 -0.170 3.791 3.960 0.001 0.000 0.210 335 G HA3 -0.170 3.791 3.960 0.001 0.000 0.210 335 G C -0.047 174.815 174.900 -0.064 0.000 1.005 335 G CA -0.447 44.597 45.100 -0.094 0.000 0.634 335 G HN 0.484 nan 8.290 nan 0.000 0.496 336 D N 0.537 120.921 120.400 -0.028 0.000 2.423 336 D HA 0.439 5.079 4.640 0.001 0.000 0.238 336 D C 0.324 176.660 176.300 0.061 0.000 1.142 336 D CA 0.352 54.367 54.000 0.025 0.000 0.884 336 D CB 1.725 42.575 40.800 0.082 0.000 1.199 336 D HN 0.235 nan 8.370 nan 0.000 0.438 337 V N 3.497 123.451 119.914 0.068 0.000 2.350 337 V HA 0.181 4.302 4.120 0.001 0.000 0.285 337 V C -0.359 175.796 176.094 0.102 0.000 1.014 337 V CA -0.807 61.550 62.300 0.095 0.000 0.831 337 V CB 1.228 33.104 31.823 0.089 0.000 1.000 337 V HN 0.274 nan 8.190 nan 0.000 0.433 338 L N 4.201 125.505 121.223 0.135 0.000 2.307 338 L HA 0.527 4.868 4.340 0.001 0.000 0.282 338 L C 0.711 177.667 176.870 0.143 0.000 1.051 338 L CA 0.246 55.169 54.840 0.138 0.000 0.804 338 L CB 1.622 43.781 42.059 0.167 0.000 1.197 338 L HN 0.557 nan 8.230 nan 0.000 0.431 339 T N 1.836 116.470 114.554 0.134 0.000 2.811 339 T HA 0.311 4.662 4.350 0.001 0.000 0.309 339 T C 0.578 175.406 174.700 0.215 0.000 1.005 339 T CA -0.547 61.644 62.100 0.151 0.000 0.955 339 T CB 0.201 69.135 68.868 0.110 0.000 0.970 339 T HN 0.772 nan 8.240 nan 0.000 0.496 340 T N 1.500 116.174 114.554 0.200 0.000 2.748 340 T HA 0.167 4.518 4.350 0.001 0.000 0.304 340 T C 1.660 176.461 174.700 0.167 0.000 1.041 340 T CA -0.660 61.555 62.100 0.191 0.000 1.033 340 T CB 0.519 69.546 68.868 0.265 0.000 0.995 340 T HN 0.526 nan 8.240 nan 0.000 0.536 341 M N 1.285 120.957 119.600 0.120 0.000 2.202 341 M HA -0.133 4.348 4.480 0.001 0.000 0.262 341 M C 2.303 178.667 176.300 0.107 0.000 1.063 341 M CA 2.167 57.519 55.300 0.085 0.000 1.097 341 M CB -0.487 32.157 32.600 0.073 0.000 1.382 341 M HN 0.933 nan 8.290 nan 0.000 0.413 342 S N -1.089 114.708 115.700 0.162 0.000 2.474 342 S HA 0.069 4.539 4.470 0.001 0.000 0.235 342 S C 1.571 176.206 174.600 0.059 0.000 0.997 342 S CA 1.024 59.291 58.200 0.112 0.000 0.949 342 S CB -0.262 63.022 63.200 0.140 0.000 0.766 342 S HN 0.776 nan 8.310 nan 0.000 0.517 343 G N 0.198 109.051 108.800 0.089 0.000 2.259 343 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 343 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 343 G C -0.088 174.843 174.900 0.052 0.000 1.001 343 G CA -0.078 45.058 45.100 0.060 0.000 0.627 343 G HN 0.600 nan 8.290 nan 0.000 0.501 344 Q N 1.819 121.644 119.800 0.042 0.000 2.364 344 Q HA 0.464 4.805 4.340 0.001 0.000 0.267 344 Q C 0.565 176.625 176.000 0.099 0.000 0.999 344 Q CA 0.796 56.608 55.803 0.016 0.000 0.886 344 Q CB 0.724 29.397 28.738 -0.108 0.000 1.243 344 Q HN 0.535 nan 8.270 nan 0.000 0.415 345 T N -1.682 112.920 114.554 0.081 0.000 2.875 345 T HA 0.570 4.921 4.350 0.001 0.000 0.284 345 T C -0.246 174.546 174.700 0.153 0.000 0.995 345 T CA -0.825 61.346 62.100 0.118 0.000 1.060 345 T CB 1.089 70.014 68.868 0.095 0.000 0.967 345 T HN 0.270 nan 8.240 nan 0.000 0.476 346 V N 2.610 122.642 119.914 0.198 0.000 2.483 346 V HA 0.401 4.522 4.120 0.001 0.000 0.297 346 V C 0.055 176.279 176.094 0.215 0.000 1.027 346 V CA -0.899 61.555 62.300 0.256 0.000 0.855 346 V CB 1.487 33.533 31.823 0.372 0.000 0.995 346 V HN 1.052 nan 8.190 nan 0.000 0.424 347 E N 3.918 124.240 120.200 0.204 0.000 2.194 347 E HA 0.391 4.741 4.350 0.001 0.000 0.284 347 E C -0.955 175.730 176.600 0.142 0.000 1.035 347 E CA -0.474 56.025 56.400 0.165 0.000 0.836 347 E CB 1.529 31.341 29.700 0.187 0.000 1.070 347 E HN 0.509 nan 8.360 nan 0.000 0.401 348 V N 7.288 127.264 119.914 0.103 0.000 2.427 348 V HA 0.034 4.155 4.120 0.001 0.000 0.268 348 V C 1.115 177.206 176.094 -0.004 0.000 1.046 348 V CA 0.098 62.431 62.300 0.056 0.000 0.970 348 V CB 0.850 32.695 31.823 0.037 0.000 1.001 348 V HN 0.824 nan 8.190 nan 0.000 0.476 349 L N 3.153 124.373 121.223 -0.004 0.000 2.470 349 L HA 0.336 4.677 4.340 0.001 0.000 0.219 349 L C 0.823 177.660 176.870 -0.054 0.000 1.071 349 L CA 0.465 55.295 54.840 -0.017 0.000 0.850 349 L CB 0.278 42.348 42.059 0.017 0.000 1.040 349 L HN 0.675 nan 8.230 nan 0.000 0.475 350 N N -0.438 118.220 118.700 -0.070 0.000 2.478 350 N HA 0.052 4.792 4.740 0.001 0.000 0.291 350 N C 0.572 176.013 175.510 -0.116 0.000 1.090 350 N CA 0.140 53.138 53.050 -0.087 0.000 0.911 350 N CB 1.832 40.288 38.487 -0.052 0.000 1.546 350 N HN -0.058 nan 8.380 nan 0.000 0.500 351 T N -0.742 113.698 114.554 -0.190 0.000 3.072 351 T HA -0.063 4.287 4.350 0.001 0.000 0.266 351 T C 0.966 175.666 174.700 0.001 0.000 1.127 351 T CA 0.849 62.813 62.100 -0.227 0.000 1.107 351 T CB 0.103 68.716 68.868 -0.426 0.000 0.910 351 T HN 0.334 nan 8.240 nan 0.000 0.513 352 D N 1.725 122.108 120.400 -0.029 0.000 2.347 352 D HA 0.207 4.848 4.640 0.001 0.000 0.213 352 D C 1.183 177.470 176.300 -0.022 0.000 0.985 352 D CA 0.226 54.216 54.000 -0.017 0.000 0.879 352 D CB -0.240 40.543 40.800 -0.028 0.000 0.919 352 D HN 0.555 nan 8.370 nan 0.000 0.526 353 A N 1.173 123.974 122.820 -0.033 0.000 3.202 353 A HA 0.141 4.461 4.320 0.001 0.000 0.258 353 A C 1.346 178.884 177.584 -0.075 0.000 1.572 353 A CA -0.307 51.686 52.037 -0.073 0.000 1.241 353 A CB -0.242 18.691 19.000 -0.111 0.000 1.127 353 A HN 0.144 nan 8.150 nan 0.000 0.648 354 E N 0.301 120.486 120.200 -0.025 0.000 2.276 354 E HA -0.012 4.339 4.350 0.001 0.000 0.193 354 E C 1.553 178.091 176.600 -0.103 0.000 0.983 354 E CA 1.162 57.552 56.400 -0.016 0.000 0.861 354 E CB -0.966 28.764 29.700 0.051 0.000 0.817 354 E HN 0.367 nan 8.360 nan 0.000 0.485 355 G N 2.918 111.661 108.800 -0.095 0.000 2.469 355 G HA2 -0.367 3.593 3.960 0.001 0.000 0.219 355 G HA3 -0.367 3.593 3.960 0.001 0.000 0.219 355 G C 1.872 176.696 174.900 -0.126 0.000 1.150 355 G CA 1.496 46.534 45.100 -0.103 0.000 0.763 355 G HN 0.475 nan 8.290 nan 0.000 0.561 356 R N 0.176 120.585 120.500 -0.153 0.000 2.189 356 R HA 0.193 4.533 4.340 0.001 0.000 0.218 356 R C 2.114 178.323 176.300 -0.152 0.000 1.074 356 R CA 0.806 56.803 56.100 -0.171 0.000 0.991 356 R CB -0.487 29.593 30.300 -0.367 0.000 0.883 356 R HN 0.391 nan 8.270 nan 0.000 0.457 357 L N 0.758 121.874 121.223 -0.177 0.000 2.313 357 L HA 0.004 4.345 4.340 0.001 0.000 0.214 357 L C 2.175 178.954 176.870 -0.151 0.000 1.119 357 L CA 0.243 55.018 54.840 -0.108 0.000 0.809 357 L CB 0.036 42.049 42.059 -0.077 0.000 0.933 357 L HN 0.021 nan 8.230 nan 0.000 0.449 358 V N -0.133 119.633 119.914 -0.246 0.000 2.446 358 V HA -0.170 3.950 4.120 0.001 0.000 0.244 358 V C 2.300 178.212 176.094 -0.303 0.000 1.039 358 V CA 1.098 63.121 62.300 -0.462 0.000 1.045 358 V CB -0.052 31.364 31.823 -0.677 0.000 0.681 358 V HN 0.290 nan 8.190 nan 0.000 0.459 359 L N 0.650 121.761 121.223 -0.187 0.000 2.017 359 L HA -0.229 4.111 4.340 0.001 0.000 0.208 359 L C 2.897 179.706 176.870 -0.102 0.000 1.073 359 L CA 1.944 56.734 54.840 -0.083 0.000 0.745 359 L CB -0.990 41.062 42.059 -0.012 0.000 0.894 359 L HN 0.652 nan 8.230 nan 0.000 0.432 360 C N -0.989 118.167 119.300 -0.239 0.000 2.401 360 C HA -0.177 4.283 4.460 0.001 0.000 0.276 360 C C 2.232 177.011 174.990 -0.350 0.000 1.233 360 C CA 0.743 59.384 59.018 -0.628 0.000 1.753 360 C CB -0.997 25.842 27.740 -1.500 0.000 2.029 360 C HN 0.482 nan 8.230 nan 0.000 0.478 361 D N 0.929 121.237 120.400 -0.153 0.000 2.183 361 D HA -0.032 4.609 4.640 0.001 0.000 0.203 361 D C 2.414 178.792 176.300 0.130 0.000 0.969 361 D CA 1.210 55.224 54.000 0.023 0.000 0.842 361 D CB -0.214 40.641 40.800 0.091 0.000 0.957 361 D HN 0.477 nan 8.370 nan 0.000 0.484 362 V N 0.790 120.786 119.914 0.137 0.000 2.453 362 V HA -0.155 3.965 4.120 0.001 0.000 0.247 362 V C 2.477 178.726 176.094 0.257 0.000 1.048 362 V CA 0.917 63.346 62.300 0.214 0.000 1.049 362 V CB -0.343 31.585 31.823 0.174 0.000 0.672 362 V HN 0.200 nan 8.190 nan 0.000 0.457 363 L N -0.365 120.969 121.223 0.186 0.000 2.201 363 L HA -0.122 4.218 4.340 0.001 0.000 0.212 363 L C 2.505 179.548 176.870 0.288 0.000 1.105 363 L CA 1.490 56.483 54.840 0.255 0.000 0.775 363 L CB -0.780 41.383 42.059 0.175 0.000 0.913 363 L HN 0.327 nan 8.230 nan 0.000 0.440 364 T N -1.617 113.066 114.554 0.215 0.000 2.851 364 T HA -0.182 4.169 4.350 0.001 0.000 0.262 364 T C 1.688 176.479 174.700 0.152 0.000 1.043 364 T CA 0.857 63.065 62.100 0.179 0.000 1.140 364 T CB -0.249 68.716 68.868 0.162 0.000 0.872 364 T HN 0.297 nan 8.240 nan 0.000 0.446 365 Y N 2.679 123.014 120.300 0.059 0.000 2.207 365 Y HA -0.178 4.373 4.550 0.003 0.000 0.287 365 Y C 2.238 178.099 175.900 -0.066 0.000 1.156 365 Y CA 1.203 59.301 58.100 -0.003 0.000 1.182 365 Y CB -0.430 38.046 38.460 0.027 0.000 0.979 365 Y HN 0.112 nan 8.280 nan 0.000 0.521 366 V N -0.149 119.812 119.914 0.079 0.000 3.305 366 V HA -0.155 3.966 4.120 0.001 0.000 0.269 366 V C 1.703 177.759 176.094 -0.063 0.000 1.157 366 V CA 1.574 63.894 62.300 0.034 0.000 1.157 366 V CB -1.125 30.869 31.823 0.285 0.000 0.772 366 V HN 0.632 nan 8.190 nan 0.000 0.498 367 E N 2.725 122.936 120.200 0.018 0.000 2.409 367 E HA -0.252 4.099 4.350 0.001 0.000 0.198 367 E C 2.128 178.666 176.600 -0.103 0.000 1.024 367 E CA 1.029 57.485 56.400 0.094 0.000 0.861 367 E CB -0.468 29.342 29.700 0.184 0.000 0.788 367 E HN 0.823 nan 8.360 nan 0.000 0.521 368 R N 0.550 120.826 120.500 -0.374 0.000 2.235 368 R HA -0.048 4.292 4.340 0.001 0.000 0.213 368 R C 0.766 176.834 176.300 -0.388 0.000 1.059 368 R CA 0.834 56.661 56.100 -0.455 0.000 0.997 368 R CB -0.350 29.523 30.300 -0.710 0.000 0.884 368 R HN 0.112 nan 8.270 nan 0.000 0.462 369 F N 2.049 121.948 119.950 -0.086 0.000 2.732 369 F HA 0.240 4.766 4.527 -0.001 0.000 0.303 369 F C -0.079 175.701 175.800 -0.033 0.000 1.110 369 F CA -0.621 57.345 58.000 -0.057 0.000 1.355 369 F CB -0.326 38.643 39.000 -0.052 0.000 1.081 369 F HN 0.032 nan 8.300 nan 0.000 0.565 370 E N 0.667 120.926 120.200 0.099 0.000 2.149 370 E HA -0.213 4.137 4.350 0.001 0.000 0.191 370 E C -2.287 174.367 176.600 0.090 0.000 1.384 370 E CA -0.266 56.186 56.400 0.086 0.000 0.698 370 E CB -1.422 28.313 29.700 0.059 0.000 1.086 370 E HN 0.242 nan 8.360 nan 0.000 0.338 371 P HA -0.095 nan 4.420 nan 0.000 0.269 371 P C 0.553 177.874 177.300 0.036 0.000 1.209 371 P CA 0.281 63.397 63.100 0.026 0.000 0.776 371 P CB 1.008 32.652 31.700 -0.092 0.000 0.876 372 E N 1.770 121.993 120.200 0.038 0.000 2.170 372 E HA 0.015 4.365 4.350 0.001 0.000 0.191 372 E C 0.001 176.638 176.600 0.062 0.000 0.981 372 E CA 0.640 57.070 56.400 0.050 0.000 0.830 372 E CB 0.280 30.010 29.700 0.049 0.000 0.775 372 E HN 0.571 nan 8.360 nan 0.000 0.470 373 A N 0.042 122.898 122.820 0.060 0.000 2.589 373 A HA 0.552 4.873 4.320 0.001 0.000 0.296 373 A C -1.476 176.119 177.584 0.019 0.000 1.062 373 A CA -0.604 51.484 52.037 0.084 0.000 0.686 373 A CB 1.965 21.065 19.000 0.167 0.000 1.282 373 A HN -0.056 nan 8.150 nan 0.000 0.404 374 V N 2.272 122.205 119.914 0.032 0.000 2.531 374 V HA 0.548 4.668 4.120 0.001 0.000 0.301 374 V C -0.805 175.382 176.094 0.155 0.000 1.034 374 V CA -0.152 62.160 62.300 0.019 0.000 0.865 374 V CB 1.441 33.139 31.823 -0.209 0.000 0.995 374 V HN 0.700 nan 8.190 nan 0.000 0.424 375 I N 4.270 124.892 120.570 0.087 0.000 2.447 375 I HA 0.429 4.599 4.170 0.001 0.000 0.287 375 I C -0.752 175.428 176.117 0.106 0.000 1.023 375 I CA -0.565 60.743 61.300 0.013 0.000 1.083 375 I CB 2.038 39.956 38.000 -0.137 0.000 1.245 375 I HN 0.777 nan 8.210 nan 0.000 0.434 376 D N 6.193 126.715 120.400 0.202 0.000 2.175 376 D HA 0.536 5.176 4.640 0.001 0.000 0.248 376 D C -0.845 175.556 176.300 0.169 0.000 1.047 376 D CA -0.489 53.661 54.000 0.251 0.000 0.883 376 D CB 1.938 42.986 40.800 0.413 0.000 1.180 376 D HN 0.154 nan 8.370 nan 0.000 0.438 377 V N 0.686 120.680 119.914 0.133 0.000 2.483 377 V HA 0.822 4.943 4.120 0.001 0.000 0.297 377 V C -0.281 175.880 176.094 0.111 0.000 1.027 377 V CA -0.695 61.652 62.300 0.078 0.000 0.855 377 V CB 0.670 32.523 31.823 0.051 0.000 0.995 377 V HN 0.990 nan 8.190 nan 0.000 0.424 378 A N 2.651 125.540 122.820 0.114 0.000 2.547 378 A HA 0.754 5.074 4.320 0.001 0.000 0.297 378 A C -0.080 177.578 177.584 0.124 0.000 1.056 378 A CA -0.465 51.653 52.037 0.134 0.000 0.688 378 A CB 1.752 20.861 19.000 0.181 0.000 1.282 378 A HN 0.918 nan 8.150 nan 0.000 0.400 379 T N 1.308 115.946 114.554 0.139 0.000 3.455 379 T HA 0.354 4.705 4.350 0.001 0.000 0.286 379 T C 0.627 175.411 174.700 0.139 0.000 1.157 379 T CA -0.075 62.130 62.100 0.176 0.000 1.090 379 T CB -0.089 68.967 68.868 0.314 0.000 1.112 379 T HN 0.532 nan 8.240 nan 0.000 0.779 380 L N 2.945 124.240 121.223 0.120 0.000 2.286 380 L HA 0.333 4.674 4.340 0.001 0.000 0.203 380 L C 1.117 178.030 176.870 0.072 0.000 1.068 380 L CA 1.077 55.981 54.840 0.107 0.000 0.811 380 L CB 0.247 42.412 42.059 0.177 0.000 0.989 380 L HN 0.875 nan 8.230 nan 0.000 0.467 381 T N -4.910 109.682 114.554 0.062 0.000 2.912 381 T HA 0.499 4.849 4.350 0.001 0.000 0.299 381 T C 0.845 175.551 174.700 0.011 0.000 1.052 381 T CA -0.309 61.813 62.100 0.036 0.000 0.996 381 T CB 1.363 70.253 68.868 0.038 0.000 1.070 381 T HN 0.079 nan 8.240 nan 0.000 0.465 382 G N 0.920 109.726 108.800 0.010 0.000 2.422 382 G HA2 0.080 4.040 3.960 0.001 0.000 0.218 382 G HA3 0.080 4.040 3.960 0.001 0.000 0.218 382 G C 1.657 176.536 174.900 -0.036 0.000 1.140 382 G CA 0.766 45.860 45.100 -0.011 0.000 0.775 382 G HN 1.203 nan 8.290 nan 0.000 0.545 383 A N 0.162 122.973 122.820 -0.016 0.000 1.903 383 A HA -0.227 4.093 4.320 0.001 0.000 0.219 383 A C 2.588 180.146 177.584 -0.043 0.000 1.191 383 A CA 1.940 53.966 52.037 -0.019 0.000 0.638 383 A CB -1.311 17.692 19.000 0.006 0.000 0.823 383 A HN 0.512 nan 8.150 nan 0.000 0.451 384 C N -0.991 118.283 119.300 -0.043 0.000 2.422 384 C HA -0.034 4.426 4.460 0.001 0.000 0.279 384 C C 2.713 177.624 174.990 -0.132 0.000 1.305 384 C CA 1.253 60.230 59.018 -0.069 0.000 1.757 384 C CB -1.431 26.274 27.740 -0.057 0.000 1.962 384 C HN 0.434 nan 8.230 nan 0.000 0.499 385 V N 0.648 120.462 119.914 -0.167 0.000 2.427 385 V HA -0.165 3.955 4.120 0.001 0.000 0.248 385 V C 2.201 178.138 176.094 -0.262 0.000 1.051 385 V CA 2.161 64.292 62.300 -0.281 0.000 1.048 385 V CB -0.528 31.118 31.823 -0.295 0.000 0.666 385 V HN 0.557 nan 8.190 nan 0.000 0.456 386 I N 0.124 120.596 120.570 -0.164 0.000 2.353 386 I HA -0.146 4.024 4.170 0.001 0.000 0.248 386 I C 2.546 178.589 176.117 -0.122 0.000 1.119 386 I CA 1.237 62.458 61.300 -0.132 0.000 1.417 386 I CB -0.352 37.601 38.000 -0.079 0.000 1.078 386 I HN 0.276 nan 8.210 nan 0.000 0.421 387 A N 0.259 123.014 122.820 -0.108 0.000 1.874 387 A HA 0.016 4.336 4.320 0.001 0.000 0.214 387 A C 1.983 179.491 177.584 -0.126 0.000 1.189 387 A CA 1.219 53.200 52.037 -0.093 0.000 0.615 387 A CB -0.307 18.657 19.000 -0.059 0.000 0.830 387 A HN 0.405 nan 8.150 nan 0.000 0.443 388 L N -1.630 119.503 121.223 -0.151 0.000 2.906 388 L HA 0.368 4.708 4.340 0.001 0.000 0.255 388 L C 1.239 177.979 176.870 -0.217 0.000 1.166 388 L CA 0.119 54.859 54.840 -0.168 0.000 0.977 388 L CB 0.150 42.135 42.059 -0.122 0.000 1.313 388 L HN 0.637 nan 8.230 nan 0.000 0.549 389 G N 0.409 109.031 108.800 -0.296 0.000 2.569 389 G HA2 -0.323 3.638 3.960 0.001 0.000 0.259 389 G HA3 -0.323 3.638 3.960 0.001 0.000 0.259 389 G C 0.319 174.848 174.900 -0.618 0.000 1.263 389 G CA 0.210 45.025 45.100 -0.475 0.000 0.928 389 G HN 0.309 nan 8.290 nan 0.000 0.572 390 H N 0.310 119.021 119.070 -0.597 0.000 2.592 390 H HA 0.122 4.678 4.556 0.001 0.000 0.265 390 H C 2.155 177.204 175.328 -0.464 0.000 0.955 390 H CA 1.220 56.933 56.048 -0.558 0.000 1.175 390 H CB 0.193 29.624 29.762 -0.552 0.000 1.433 390 H HN 0.603 nan 8.280 nan 0.000 0.537 391 H N -0.076 118.973 119.070 -0.035 0.000 2.465 391 H HA 0.217 4.774 4.556 0.001 0.000 0.289 391 H C 0.749 176.044 175.328 -0.055 0.000 1.022 391 H CA 0.458 56.478 56.048 -0.046 0.000 1.340 391 H CB 1.299 31.029 29.762 -0.054 0.000 1.437 391 H HN 0.161 nan 8.280 nan 0.000 0.539 392 I N 1.443 122.023 120.570 0.017 0.000 2.498 392 I HA 0.123 4.294 4.170 0.001 0.000 0.290 392 I C -0.091 176.010 176.117 -0.025 0.000 1.032 392 I CA -0.555 60.752 61.300 0.011 0.000 1.073 392 I CB 2.417 40.432 38.000 0.026 0.000 1.251 392 I HN -0.151 nan 8.210 nan 0.000 0.426 393 T N 4.188 118.730 114.554 -0.019 0.000 2.901 393 T HA 0.234 4.585 4.350 0.001 0.000 0.301 393 T C 0.497 175.176 174.700 -0.034 0.000 1.012 393 T CA -0.228 61.842 62.100 -0.051 0.000 1.135 393 T CB 0.873 69.704 68.868 -0.063 0.000 0.936 393 T HN 0.778 nan 8.240 nan 0.000 0.539 394 G N 2.052 110.808 108.800 -0.073 0.000 2.370 394 G HA2 0.517 4.478 3.960 0.001 0.000 0.272 394 G HA3 0.517 4.478 3.960 0.001 0.000 0.272 394 G C -0.996 173.816 174.900 -0.147 0.000 1.208 394 G CA -0.392 44.672 45.100 -0.060 0.000 0.856 394 G HN 0.608 nan 8.290 nan 0.000 0.500 395 L N 2.322 123.475 121.223 -0.117 0.000 2.386 395 L HA 0.867 5.208 4.340 0.001 0.000 0.271 395 L C -0.430 176.337 176.870 -0.172 0.000 0.993 395 L CA -0.740 53.982 54.840 -0.197 0.000 0.819 395 L CB 1.985 43.933 42.059 -0.186 0.000 1.294 395 L HN 0.557 nan 8.230 nan 0.000 0.414 396 M N 3.930 123.402 119.600 -0.212 0.000 2.619 396 M HA 0.936 5.416 4.480 0.001 0.000 0.297 396 M C -0.911 175.160 176.300 -0.382 0.000 1.229 396 M CA -0.313 54.884 55.300 -0.172 0.000 0.860 396 M CB 2.495 35.100 32.600 0.010 0.000 1.741 396 M HN 0.798 nan 8.290 nan 0.000 0.462 397 A N 0.934 123.570 122.820 -0.305 0.000 2.601 397 A HA 0.628 4.948 4.320 0.001 0.000 0.291 397 A C -1.021 176.558 177.584 -0.008 0.000 1.075 397 A CA -0.742 51.071 52.037 -0.373 0.000 0.671 397 A CB 0.945 19.778 19.000 -0.278 0.000 1.277 397 A HN 0.910 nan 8.150 nan 0.000 0.417 398 N N -0.121 118.706 118.700 0.211 0.000 2.184 398 N HA 0.172 4.913 4.740 0.001 0.000 0.206 398 N C -0.316 175.339 175.510 0.241 0.000 1.151 398 N CA 0.394 53.625 53.050 0.302 0.000 0.878 398 N CB 0.204 38.960 38.487 0.448 0.000 1.014 398 N HN 0.663 nan 8.380 nan 0.000 0.512 399 H N 0.039 119.132 119.070 0.038 0.000 3.172 399 H HA 0.434 4.991 4.556 0.001 0.000 0.322 399 H C 0.166 175.432 175.328 -0.103 0.000 1.003 399 H CA -0.657 55.390 56.048 -0.003 0.000 1.466 399 H CB 0.723 30.512 29.762 0.046 0.000 1.673 399 H HN -0.165 nan 8.280 nan 0.000 0.512 400 N N 4.936 123.388 118.700 -0.413 0.000 2.069 400 N HA -0.115 4.626 4.740 0.001 0.000 0.191 400 N C -1.125 173.957 175.510 -0.712 0.000 1.031 400 N CA 1.290 54.007 53.050 -0.555 0.000 0.852 400 N CB -0.959 37.253 38.487 -0.460 0.000 1.018 400 N HN 0.543 nan 8.380 nan 0.000 0.423 401 P HA -0.127 nan 4.420 nan 0.000 0.215 401 P C 1.813 179.032 177.300 -0.135 0.000 1.157 401 P CA 0.726 63.635 63.100 -0.318 0.000 0.874 401 P CB -0.041 31.507 31.700 -0.252 0.000 0.790 402 L N -0.355 120.844 121.223 -0.041 0.000 2.042 402 L HA -0.145 4.196 4.340 0.001 0.000 0.210 402 L C 2.170 178.997 176.870 -0.072 0.000 1.076 402 L CA 2.170 57.056 54.840 0.077 0.000 0.749 402 L CB -1.673 40.490 42.059 0.173 0.000 0.893 402 L HN -0.113 nan 8.230 nan 0.000 0.432 403 A N -1.123 121.580 122.820 -0.195 0.000 1.865 403 A HA -0.272 4.048 4.320 0.001 0.000 0.217 403 A C 2.188 179.701 177.584 -0.118 0.000 1.191 403 A CA 1.915 53.819 52.037 -0.222 0.000 0.623 403 A CB -1.072 17.748 19.000 -0.300 0.000 0.826 403 A HN 0.678 nan 8.150 nan 0.000 0.444 404 H N -0.200 118.811 119.070 -0.098 0.000 2.352 404 H HA -0.111 4.446 4.556 0.001 0.000 0.299 404 H C 2.021 177.332 175.328 -0.027 0.000 1.097 404 H CA 1.645 57.645 56.048 -0.080 0.000 1.311 404 H CB -0.547 29.171 29.762 -0.073 0.000 1.377 404 H HN 0.688 nan 8.280 nan 0.000 0.504 405 E N 0.189 120.477 120.200 0.146 0.000 2.110 405 E HA -0.114 4.237 4.350 0.001 0.000 0.193 405 E C 2.319 179.030 176.600 0.185 0.000 0.988 405 E CA 0.630 57.150 56.400 0.200 0.000 0.804 405 E CB -0.034 29.870 29.700 0.339 0.000 0.745 405 E HN 0.342 nan 8.360 nan 0.000 0.458 406 L N 0.581 121.825 121.223 0.035 0.000 2.109 406 L HA -0.133 4.207 4.340 0.001 0.000 0.207 406 L C 2.273 179.121 176.870 -0.037 0.000 1.086 406 L CA 0.317 55.111 54.840 -0.077 0.000 0.760 406 L CB -0.157 41.753 42.059 -0.249 0.000 0.910 406 L HN 0.189 nan 8.230 nan 0.000 0.437 407 I N 0.181 120.730 120.570 -0.034 0.000 2.286 407 I HA -0.196 3.975 4.170 0.001 0.000 0.245 407 I C 2.837 178.944 176.117 -0.017 0.000 1.104 407 I CA 1.432 62.705 61.300 -0.045 0.000 1.397 407 I CB -1.411 36.539 38.000 -0.083 0.000 1.072 407 I HN 0.155 nan 8.210 nan 0.000 0.417 408 A N 1.134 123.960 122.820 0.010 0.000 1.908 408 A HA -0.144 4.177 4.320 0.001 0.000 0.218 408 A C 2.579 180.182 177.584 0.031 0.000 1.181 408 A CA 2.095 54.140 52.037 0.013 0.000 0.627 408 A CB -0.789 18.232 19.000 0.034 0.000 0.818 408 A HN 0.410 nan 8.150 nan 0.000 0.445 409 A N 0.235 123.102 122.820 0.078 0.000 1.933 409 A HA -0.100 4.220 4.320 0.001 0.000 0.218 409 A C 2.522 180.137 177.584 0.052 0.000 1.175 409 A CA 2.369 54.469 52.037 0.106 0.000 0.628 409 A CB -0.980 18.133 19.000 0.188 0.000 0.814 409 A HN 1.061 nan 8.150 nan 0.000 0.444 410 S N -0.177 115.535 115.700 0.020 0.000 2.382 410 S HA -0.194 4.277 4.470 0.001 0.000 0.228 410 S C 1.667 176.253 174.600 -0.022 0.000 1.027 410 S CA 1.532 59.733 58.200 0.001 0.000 0.991 410 S CB -0.393 62.803 63.200 -0.006 0.000 0.823 410 S HN 0.667 nan 8.310 nan 0.000 0.469 411 E N 1.135 121.313 120.200 -0.037 0.000 2.046 411 E HA -0.091 4.259 4.350 0.001 0.000 0.190 411 E C 2.538 179.037 176.600 -0.169 0.000 0.982 411 E CA 1.219 57.572 56.400 -0.078 0.000 0.800 411 E CB -0.204 29.456 29.700 -0.066 0.000 0.756 411 E HN 0.673 nan 8.360 nan 0.000 0.449 412 Q N 0.347 120.041 119.800 -0.176 0.000 2.096 412 Q HA -0.154 4.186 4.340 0.001 0.000 0.204 412 Q C 2.301 177.995 176.000 -0.509 0.000 0.982 412 Q CA 1.873 57.443 55.803 -0.388 0.000 0.850 412 Q CB -0.147 28.518 28.738 -0.121 0.000 0.901 412 Q HN 0.222 nan 8.270 nan 0.000 0.422 413 S N -0.979 114.639 115.700 -0.136 0.000 2.527 413 S HA 0.137 4.608 4.470 0.001 0.000 0.222 413 S C 1.404 175.985 174.600 -0.032 0.000 0.985 413 S CA 0.336 58.539 58.200 0.004 0.000 0.921 413 S CB 0.250 63.508 63.200 0.098 0.000 0.772 413 S HN 0.539 nan 8.310 nan 0.000 0.529 414 G N 1.202 109.950 108.800 -0.087 0.000 2.198 414 G HA2 -0.215 3.746 3.960 0.001 0.000 0.257 414 G HA3 -0.215 3.746 3.960 0.001 0.000 0.257 414 G C -0.253 174.635 174.900 -0.020 0.000 1.042 414 G CA 0.221 45.287 45.100 -0.058 0.000 0.791 414 G HN 0.646 nan 8.290 nan 0.000 0.502 415 D N -0.079 120.315 120.400 -0.011 0.000 2.656 415 D HA 0.216 4.857 4.640 0.001 0.000 0.303 415 D C 0.999 177.299 176.300 0.001 0.000 1.199 415 D CA -0.599 53.401 54.000 -0.001 0.000 0.797 415 D CB 0.090 40.894 40.800 0.007 0.000 1.170 415 D HN 0.388 nan 8.370 nan 0.000 0.509 416 R N 0.567 121.072 120.500 0.008 0.000 2.698 416 R HA 0.482 4.823 4.340 0.001 0.000 0.266 416 R C 0.060 176.383 176.300 0.039 0.000 1.026 416 R CA 0.162 56.280 56.100 0.030 0.000 1.102 416 R CB 0.881 31.214 30.300 0.054 0.000 0.978 416 R HN 0.319 nan 8.270 nan 0.000 0.436 417 A N 2.889 125.742 122.820 0.055 0.000 2.485 417 A HA 0.673 4.993 4.320 0.001 0.000 0.292 417 A C -1.754 175.926 177.584 0.161 0.000 1.147 417 A CA -0.664 51.405 52.037 0.054 0.000 0.750 417 A CB 2.116 21.099 19.000 -0.029 0.000 1.331 417 A HN 0.770 nan 8.150 nan 0.000 0.419 418 W N 1.597 122.850 121.300 -0.077 0.000 3.259 418 W HA 0.464 5.125 4.660 0.002 0.000 0.331 418 W C -0.850 175.624 176.519 -0.074 0.000 1.144 418 W CA -0.441 56.866 57.345 -0.063 0.000 1.227 418 W CB 1.554 30.980 29.460 -0.055 0.000 1.371 418 W HN 0.927 nan 8.180 nan 0.000 0.491 419 R N 4.464 124.713 120.500 -0.419 0.000 2.438 419 R HA 0.509 4.850 4.340 0.001 0.000 0.287 419 R C -0.762 175.489 176.300 -0.083 0.000 1.077 419 R CA 0.105 56.057 56.100 -0.246 0.000 1.034 419 R CB 0.646 30.766 30.300 -0.299 0.000 0.993 419 R HN 0.533 nan 8.270 nan 0.000 0.459 420 L N 6.253 127.462 121.223 -0.023 0.000 2.342 420 L HA 0.581 4.921 4.340 0.001 0.000 0.271 420 L C -1.972 174.872 176.870 -0.044 0.000 1.008 420 L CA -2.366 52.481 54.840 0.012 0.000 0.818 420 L CB 2.157 44.220 42.059 0.007 0.000 1.296 420 L HN 0.634 nan 8.230 nan 0.000 0.427 421 P HA 0.320 nan 4.420 nan 0.000 0.279 421 P C -0.781 176.455 177.300 -0.106 0.000 1.252 421 P CA -0.417 62.654 63.100 -0.048 0.000 0.811 421 P CB 1.713 33.419 31.700 0.009 0.000 1.035 422 L N 0.272 121.483 121.223 -0.020 0.000 2.902 422 L HA 0.848 5.188 4.340 0.001 0.000 0.229 422 L C 0.858 177.808 176.870 0.133 0.000 1.324 422 L CA -0.606 54.241 54.840 0.012 0.000 1.230 422 L CB 0.544 42.661 42.059 0.098 0.000 2.134 422 L HN 0.692 nan 8.230 nan 0.000 0.567 423 G N -0.605 108.318 108.800 0.206 0.000 2.306 423 G HA2 -0.039 3.921 3.960 0.001 0.000 0.340 423 G HA3 -0.039 3.921 3.960 0.001 0.000 0.340 423 G C -0.689 174.348 174.900 0.229 0.000 1.630 423 G CA -0.605 44.644 45.100 0.249 0.000 0.937 423 G HN 0.476 nan 8.290 nan 0.000 0.693 424 D N 0.393 120.865 120.400 0.121 0.000 2.158 424 D HA -0.096 4.544 4.640 0.001 0.000 0.197 424 D C 2.158 178.483 176.300 0.041 0.000 0.995 424 D CA 1.775 55.817 54.000 0.069 0.000 0.846 424 D CB 0.183 41.003 40.800 0.032 0.000 0.941 424 D HN 0.715 nan 8.370 nan 0.000 0.456 425 E N -0.900 119.291 120.200 -0.014 0.000 2.153 425 E HA -0.159 4.192 4.350 0.001 0.000 0.194 425 E C 1.800 178.296 176.600 -0.173 0.000 0.988 425 E CA 0.685 57.001 56.400 -0.140 0.000 0.811 425 E CB -0.092 29.451 29.700 -0.262 0.000 0.746 425 E HN 0.462 nan 8.360 nan 0.000 0.466 426 Y N 0.586 120.911 120.300 0.042 0.000 2.243 426 Y HA -0.105 4.445 4.550 0.001 0.000 0.293 426 Y C 2.447 178.382 175.900 0.058 0.000 1.124 426 Y CA 0.605 58.737 58.100 0.054 0.000 1.159 426 Y CB -0.064 38.436 38.460 0.067 0.000 1.008 426 Y HN -0.058 nan 8.280 nan 0.000 0.527 427 Q N 0.778 120.699 119.800 0.201 0.000 2.112 427 Q HA -0.256 4.085 4.340 0.001 0.000 0.206 427 Q C 1.883 177.934 176.000 0.085 0.000 0.987 427 Q CA 1.740 57.617 55.803 0.124 0.000 0.858 427 Q CB -0.413 28.372 28.738 0.078 0.000 0.905 427 Q HN 0.634 nan 8.270 nan 0.000 0.420 428 E N 0.413 120.646 120.200 0.055 0.000 2.265 428 E HA -0.174 4.177 4.350 0.001 0.000 0.196 428 E C 1.895 178.519 176.600 0.040 0.000 0.996 428 E CA 0.582 56.999 56.400 0.029 0.000 0.832 428 E CB 0.029 29.729 29.700 -0.000 0.000 0.756 428 E HN 0.448 nan 8.360 nan 0.000 0.491 429 Q N -0.075 119.763 119.800 0.062 0.000 2.437 429 Q HA -0.053 4.288 4.340 0.001 0.000 0.210 429 Q C 1.639 177.693 176.000 0.090 0.000 0.972 429 Q CA 0.564 56.409 55.803 0.070 0.000 0.903 429 Q CB 0.119 28.911 28.738 0.091 0.000 0.967 429 Q HN 0.351 nan 8.270 nan 0.000 0.486 430 L N 0.661 121.949 121.223 0.107 0.000 2.591 430 L HA 0.089 4.430 4.340 0.001 0.000 0.228 430 L C 0.358 177.289 176.870 0.101 0.000 1.133 430 L CA -0.082 54.838 54.840 0.132 0.000 0.880 430 L CB -0.048 42.117 42.059 0.177 0.000 1.033 430 L HN 0.144 nan 8.230 nan 0.000 0.450 431 E N 0.712 120.950 120.200 0.063 0.000 2.415 431 E HA 0.090 4.440 4.350 0.001 0.000 0.262 431 E C 0.088 176.714 176.600 0.044 0.000 1.038 431 E CA 0.157 56.580 56.400 0.037 0.000 0.921 431 E CB 0.851 30.558 29.700 0.011 0.000 0.950 431 E HN 0.032 nan 8.360 nan 0.000 0.438 432 S N 1.808 117.524 115.700 0.026 0.000 2.541 432 S HA 0.233 4.703 4.470 0.001 0.000 0.280 432 S C 0.066 174.605 174.600 -0.101 0.000 1.112 432 S CA -0.873 57.344 58.200 0.028 0.000 0.925 432 S CB 0.975 64.245 63.200 0.116 0.000 1.067 432 S HN 0.438 nan 8.310 nan 0.000 0.479 433 N N 2.287 120.806 118.700 -0.301 0.000 2.515 433 N HA 0.138 4.878 4.740 0.001 0.000 0.185 433 N C 0.138 175.133 175.510 -0.859 0.000 1.109 433 N CA 0.771 53.432 53.050 -0.648 0.000 0.903 433 N CB -0.259 37.644 38.487 -0.973 0.000 0.969 433 N HN 0.642 nan 8.380 nan 0.000 0.450 434 F N -0.774 119.191 119.950 0.024 0.000 2.746 434 F HA 0.522 5.049 4.527 0.001 0.000 0.313 434 F C 0.871 176.689 175.800 0.030 0.000 1.095 434 F CA -0.442 57.573 58.000 0.025 0.000 1.224 434 F CB 0.397 39.413 39.000 0.026 0.000 1.060 434 F HN -0.138 nan 8.300 nan 0.000 0.584 435 A N -0.412 122.500 122.820 0.152 0.000 2.588 435 A HA 0.464 4.785 4.320 0.001 0.000 0.290 435 A C 0.020 177.645 177.584 0.068 0.000 1.136 435 A CA -0.508 51.600 52.037 0.118 0.000 0.681 435 A CB 0.281 19.373 19.000 0.154 0.000 1.282 435 A HN -0.067 nan 8.150 nan 0.000 0.421 436 D N 0.138 120.569 120.400 0.051 0.000 2.182 436 D HA -0.033 4.608 4.640 0.001 0.000 0.201 436 D C 0.804 177.118 176.300 0.023 0.000 0.986 436 D CA 2.434 56.441 54.000 0.011 0.000 0.847 436 D CB -0.230 40.558 40.800 -0.020 0.000 0.942 436 D HN 0.658 nan 8.370 nan 0.000 0.467 437 M N -2.684 116.964 119.600 0.080 0.000 2.790 437 M HA 0.609 5.090 4.480 0.001 0.000 0.272 437 M C -1.930 174.493 176.300 0.205 0.000 1.168 437 M CA -1.055 54.317 55.300 0.120 0.000 0.829 437 M CB 2.212 34.868 32.600 0.092 0.000 1.675 437 M HN -0.236 nan 8.290 nan 0.000 0.505 438 A N 1.327 124.277 122.820 0.218 0.000 2.269 438 A HA 0.608 4.929 4.320 0.001 0.000 0.319 438 A C 0.415 178.172 177.584 0.288 0.000 1.110 438 A CA -0.384 51.782 52.037 0.215 0.000 0.847 438 A CB 0.426 19.519 19.000 0.154 0.000 1.161 438 A HN 0.998 nan 8.150 nan 0.000 0.497 439 N N 0.217 119.016 118.700 0.164 0.000 2.398 439 N HA 0.056 4.796 4.740 0.001 0.000 0.188 439 N C 0.011 175.437 175.510 -0.140 0.000 1.122 439 N CA 0.727 53.742 53.050 -0.059 0.000 0.866 439 N CB -0.341 38.042 38.487 -0.172 0.000 0.970 439 N HN 0.736 nan 8.380 nan 0.000 0.462 440 I N -6.310 114.267 120.570 0.011 0.000 2.894 440 I HA 0.669 4.840 4.170 0.001 0.000 0.302 440 I C 0.303 176.463 176.117 0.071 0.000 1.188 440 I CA -1.352 59.956 61.300 0.014 0.000 1.014 440 I CB 2.127 40.125 38.000 -0.005 0.000 1.242 440 I HN -0.236 nan 8.210 nan 0.000 0.430 441 G N 1.861 110.708 108.800 0.078 0.000 3.324 441 G HA2 0.619 4.580 3.960 0.001 0.000 0.251 441 G HA3 0.619 4.580 3.960 0.001 0.000 0.251 441 G C 0.497 175.442 174.900 0.075 0.000 1.072 441 G CA -0.112 45.044 45.100 0.094 0.000 0.787 441 G HN 1.518 nan 8.290 nan 0.000 0.537 442 G N -0.146 108.688 108.800 0.056 0.000 2.603 442 G HA2 -0.176 3.785 3.960 0.001 0.000 0.686 442 G HA3 -0.176 3.785 3.960 0.001 0.000 0.686 442 G C 0.519 175.447 174.900 0.047 0.000 1.286 442 G CA -0.206 44.921 45.100 0.046 0.000 0.871 442 G HN 0.267 nan 8.290 nan 0.000 0.568 443 R N 0.411 120.934 120.500 0.038 0.000 2.075 443 R HA 0.011 4.351 4.340 0.001 0.000 0.232 443 R C -1.322 175.008 176.300 0.050 0.000 1.126 443 R CA 1.396 57.518 56.100 0.036 0.000 0.963 443 R CB -1.076 29.239 30.300 0.025 0.000 0.858 443 R HN 0.431 nan 8.270 nan 0.000 0.435 444 P HA 0.016 nan 4.420 nan 0.000 0.258 444 P C 0.021 177.398 177.300 0.129 0.000 1.187 444 P CA 1.051 64.199 63.100 0.079 0.000 0.767 444 P CB 0.458 32.198 31.700 0.066 0.000 0.770 445 G N 3.359 112.240 108.800 0.136 0.000 2.249 445 G HA2 -0.280 3.681 3.960 0.001 0.000 0.273 445 G HA3 -0.280 3.681 3.960 0.001 0.000 0.273 445 G C 1.242 176.206 174.900 0.107 0.000 1.036 445 G CA 0.173 45.370 45.100 0.162 0.000 0.824 445 G HN 0.733 nan 8.290 nan 0.000 0.504 446 G N 0.123 108.967 108.800 0.074 0.000 2.503 446 G HA2 0.065 4.025 3.960 0.001 0.000 0.221 446 G HA3 0.065 4.025 3.960 0.001 0.000 0.221 446 G C 1.926 176.858 174.900 0.054 0.000 1.131 446 G CA 2.428 47.563 45.100 0.059 0.000 0.756 446 G HN 1.642 nan 8.290 nan 0.000 0.572 447 A N 0.408 123.253 122.820 0.040 0.000 1.897 447 A HA 0.187 4.507 4.320 0.001 0.000 0.215 447 A C 2.401 180.022 177.584 0.060 0.000 1.181 447 A CA 1.074 53.144 52.037 0.054 0.000 0.620 447 A CB -0.236 18.782 19.000 0.030 0.000 0.821 447 A HN 0.369 nan 8.150 nan 0.000 0.443 448 I N 0.416 120.978 120.570 -0.014 0.000 2.202 448 I HA -0.225 3.945 4.170 0.001 0.000 0.242 448 I C 2.868 178.985 176.117 -0.000 0.000 1.091 448 I CA 1.840 63.076 61.300 -0.106 0.000 1.368 448 I CB -0.639 37.086 38.000 -0.459 0.000 1.058 448 I HN 0.522 nan 8.210 nan 0.000 0.410 449 T N -0.534 114.065 114.554 0.075 0.000 2.833 449 T HA -0.124 4.226 4.350 0.001 0.000 0.269 449 T C 1.961 176.763 174.700 0.170 0.000 1.054 449 T CA 1.035 63.231 62.100 0.160 0.000 1.135 449 T CB -0.498 68.478 68.868 0.180 0.000 0.869 449 T HN 0.350 nan 8.240 nan 0.000 0.466 450 A N 1.856 124.751 122.820 0.125 0.000 1.898 450 A HA 0.273 4.593 4.320 0.001 0.000 0.216 450 A C 2.744 180.416 177.584 0.146 0.000 1.181 450 A CA 1.580 53.684 52.037 0.112 0.000 0.620 450 A CB -1.595 17.442 19.000 0.062 0.000 0.819 450 A HN 0.606 nan 8.150 nan 0.000 0.442 451 G N -0.832 108.060 108.800 0.153 0.000 2.418 451 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 451 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 451 G C 1.591 176.659 174.900 0.280 0.000 1.158 451 G CA 1.310 46.544 45.100 0.223 0.000 0.771 451 G HN 0.514 nan 8.290 nan 0.000 0.545 452 C N -0.190 119.239 119.300 0.216 0.000 2.413 452 C HA -0.021 4.440 4.460 0.001 0.000 0.276 452 C C 2.422 177.515 174.990 0.172 0.000 1.248 452 C CA 0.713 59.843 59.018 0.187 0.000 1.742 452 C CB -1.220 26.627 27.740 0.178 0.000 2.017 452 C HN 0.476 nan 8.230 nan 0.000 0.481 453 F N 1.481 121.485 119.950 0.090 0.000 2.095 453 F HA -0.143 4.385 4.527 0.001 0.000 0.298 453 F C 2.106 178.002 175.800 0.160 0.000 1.104 453 F CA 1.664 59.735 58.000 0.119 0.000 1.232 453 F CB -0.475 38.587 39.000 0.103 0.000 0.987 453 F HN 0.115 nan 8.300 nan 0.000 0.475 454 L N 0.084 121.507 121.223 0.332 0.000 2.083 454 L HA -0.215 4.125 4.340 0.001 0.000 0.209 454 L C 2.689 179.417 176.870 -0.236 0.000 1.083 454 L CA 1.427 56.349 54.840 0.135 0.000 0.752 454 L CB -1.091 41.035 42.059 0.112 0.000 0.899 454 L HN 0.344 nan 8.230 nan 0.000 0.433 455 S N -0.144 115.373 115.700 -0.305 0.000 2.500 455 S HA -0.155 4.315 4.470 0.001 0.000 0.239 455 S C 1.837 176.193 174.600 -0.406 0.000 0.989 455 S CA 0.645 58.531 58.200 -0.523 0.000 0.951 455 S CB -0.397 62.776 63.200 -0.045 0.000 0.759 455 S HN 0.431 nan 8.310 nan 0.000 0.523 456 R N -0.526 119.742 120.500 -0.387 0.000 2.313 456 R HA 0.203 4.543 4.340 0.001 0.000 0.199 456 R C 0.144 175.919 176.300 -0.876 0.000 0.958 456 R CA 0.513 56.253 56.100 -0.600 0.000 1.047 456 R CB -0.194 29.664 30.300 -0.737 0.000 0.955 456 R HN 0.541 nan 8.270 nan 0.000 0.481 457 F N -0.881 118.811 119.950 -0.431 0.000 2.706 457 F HA 0.102 4.629 4.527 0.001 0.000 0.313 457 F C 1.252 176.771 175.800 -0.469 0.000 1.096 457 F CA 0.003 57.784 58.000 -0.365 0.000 1.219 457 F CB 0.975 39.808 39.000 -0.277 0.000 1.051 457 F HN -0.135 nan 8.300 nan 0.000 0.568 458 T N -3.932 110.301 114.554 -0.535 0.000 3.252 458 T HA 0.249 4.600 4.350 0.001 0.000 0.286 458 T C 1.438 175.739 174.700 -0.666 0.000 1.013 458 T CA -0.274 61.346 62.100 -0.800 0.000 0.914 458 T CB -0.060 68.240 68.868 -0.947 0.000 1.131 458 T HN 0.067 nan 8.240 nan 0.000 0.529 459 R N 1.363 121.576 120.500 -0.479 0.000 2.189 459 R HA 0.121 4.462 4.340 0.001 0.000 0.223 459 R C 1.723 177.852 176.300 -0.284 0.000 1.092 459 R CA 0.908 56.825 56.100 -0.305 0.000 0.989 459 R CB -0.079 30.076 30.300 -0.243 0.000 0.876 459 R HN 0.379 nan 8.270 nan 0.000 0.457 460 K N -0.249 119.905 120.400 -0.409 0.000 2.458 460 K HA 0.014 4.334 4.320 0.001 0.000 0.194 460 K C -0.753 175.776 176.600 -0.119 0.000 1.024 460 K CA 0.289 56.427 56.287 -0.249 0.000 1.108 460 K CB 0.390 32.780 32.500 -0.184 0.000 0.846 460 K HN 0.135 nan 8.250 nan 0.000 0.518 461 Y N -3.224 117.083 120.300 0.012 0.000 2.689 461 Y HA 0.364 4.913 4.550 -0.001 0.000 0.333 461 Y C -1.165 174.772 175.900 0.062 0.000 1.208 461 Y CA -2.194 55.924 58.100 0.030 0.000 1.055 461 Y CB 0.075 38.571 38.460 0.059 0.000 1.304 461 Y HN -0.263 nan 8.280 nan 0.000 0.455 462 N N 0.961 119.840 118.700 0.297 0.000 2.497 462 N HA 0.274 5.015 4.740 0.001 0.000 0.271 462 N C -1.451 174.327 175.510 0.446 0.000 1.142 462 N CA 0.127 53.294 53.050 0.195 0.000 0.965 462 N CB 1.072 39.492 38.487 -0.112 0.000 1.077 462 N HN 0.893 nan 8.380 nan 0.000 0.462 463 W N 1.599 123.025 121.300 0.210 0.000 3.107 463 W HA 0.680 5.340 4.660 -0.000 0.000 0.331 463 W C -1.751 174.849 176.519 0.134 0.000 1.204 463 W CA -0.674 56.799 57.345 0.213 0.000 1.184 463 W CB 1.041 30.705 29.460 0.340 0.000 1.421 463 W HN 0.548 nan 8.180 nan 0.000 0.544 464 A N 3.065 125.382 122.820 -0.837 0.000 2.498 464 A HA 0.651 4.972 4.320 0.001 0.000 0.298 464 A C -2.237 174.716 177.584 -1.051 0.000 1.075 464 A CA -0.645 50.807 52.037 -0.975 0.000 0.714 464 A CB 1.594 20.305 19.000 -0.482 0.000 1.299 464 A HN 0.949 nan 8.150 nan 0.000 0.407 465 H N 0.864 119.405 119.070 -0.881 0.000 2.609 465 H HA 0.687 5.243 4.556 0.001 0.000 0.344 465 H C -1.811 173.392 175.328 -0.208 0.000 1.040 465 H CA -0.801 55.027 56.048 -0.368 0.000 1.216 465 H CB 0.967 30.640 29.762 -0.148 0.000 1.529 465 H HN 0.481 nan 8.280 nan 0.000 0.519 466 L N 4.759 125.696 121.223 -0.476 0.000 2.294 466 L HA 0.260 4.600 4.340 0.001 0.000 0.283 466 L C -0.408 176.184 176.870 -0.463 0.000 1.015 466 L CA -0.783 53.798 54.840 -0.433 0.000 0.831 466 L CB 1.381 43.314 42.059 -0.210 0.000 1.217 466 L HN 0.655 nan 8.230 nan 0.000 0.420 467 D N 4.975 125.080 120.400 -0.492 0.000 2.396 467 D HA 0.233 4.873 4.640 0.001 0.000 0.225 467 D C 0.525 176.755 176.300 -0.117 0.000 1.121 467 D CA -0.304 53.568 54.000 -0.213 0.000 0.853 467 D CB 1.204 41.931 40.800 -0.121 0.000 1.043 467 D HN 0.536 nan 8.370 nan 0.000 0.500 468 I N 0.916 121.454 120.570 -0.054 0.000 3.856 468 I HA 0.369 4.539 4.170 0.001 0.000 0.333 468 I C 1.389 177.468 176.117 -0.063 0.000 1.525 468 I CA -0.619 60.648 61.300 -0.054 0.000 1.173 468 I CB 0.577 38.567 38.000 -0.017 0.000 1.175 468 I HN 0.192 nan 8.210 nan 0.000 0.424 469 A N 1.684 124.468 122.820 -0.060 0.000 2.024 469 A HA -0.029 4.292 4.320 0.001 0.000 0.220 469 A C 2.169 179.534 177.584 -0.365 0.000 1.164 469 A CA 1.955 53.932 52.037 -0.099 0.000 0.643 469 A CB -0.845 18.132 19.000 -0.038 0.000 0.806 469 A HN 0.619 nan 8.150 nan 0.000 0.451 470 G N -1.982 106.638 108.800 -0.300 0.000 2.833 470 G HA2 0.163 4.124 3.960 0.001 0.000 0.210 470 G HA3 0.163 4.124 3.960 0.001 0.000 0.210 470 G C 1.284 176.029 174.900 -0.259 0.000 1.139 470 G CA 1.236 46.134 45.100 -0.337 0.000 0.771 470 G HN 0.619 nan 8.290 nan 0.000 0.535 471 T N -2.325 112.095 114.554 -0.224 0.000 3.001 471 T HA 0.447 4.798 4.350 0.001 0.000 0.251 471 T C 2.261 176.873 174.700 -0.147 0.000 1.040 471 T CA 0.906 62.911 62.100 -0.158 0.000 0.985 471 T CB 0.667 69.478 68.868 -0.095 0.000 1.011 471 T HN 0.152 nan 8.240 nan 0.000 0.509 472 A N 1.035 123.769 122.820 -0.142 0.000 2.119 472 A HA 0.452 4.772 4.320 0.001 0.000 0.217 472 A C 0.597 178.207 177.584 0.043 0.000 1.153 472 A CA 0.238 52.286 52.037 0.018 0.000 0.692 472 A CB -0.639 18.491 19.000 0.216 0.000 0.799 472 A HN 0.889 nan 8.150 nan 0.000 0.458 473 W N -2.081 119.048 121.300 -0.286 0.000 3.059 473 W HA 0.707 5.367 4.660 0.000 0.000 0.329 473 W C -1.132 175.175 176.519 -0.354 0.000 1.246 473 W CA -1.368 55.691 57.345 -0.476 0.000 1.190 473 W CB 0.484 29.323 29.460 -1.033 0.000 1.423 473 W HN -0.091 nan 8.180 nan 0.000 0.571 474 R N 1.632 122.049 120.500 -0.138 0.000 2.787 474 R HA 0.786 5.126 4.340 0.001 0.000 0.271 474 R C -0.472 175.838 176.300 0.016 0.000 0.993 474 R CA -1.004 54.972 56.100 -0.206 0.000 0.993 474 R CB 2.032 32.250 30.300 -0.137 0.000 1.155 474 R HN 0.524 nan 8.270 nan 0.000 0.486 475 S N -0.553 115.106 115.700 -0.069 0.000 2.786 475 S HA 0.832 5.302 4.470 0.001 0.000 0.307 475 S C 0.001 174.617 174.600 0.026 0.000 1.121 475 S CA 0.330 58.573 58.200 0.070 0.000 0.975 475 S CB 1.300 64.538 63.200 0.065 0.000 1.220 475 S HN 0.917 nan 8.310 nan 0.000 0.550 476 G N 1.978 110.811 108.800 0.055 0.000 2.584 476 G HA2 -0.211 3.749 3.960 0.001 0.000 0.229 476 G HA3 -0.211 3.749 3.960 0.001 0.000 0.229 476 G C 0.332 175.260 174.900 0.046 0.000 1.320 476 G CA 0.544 45.668 45.100 0.039 0.000 0.891 476 G HN 0.789 nan 8.290 nan 0.000 0.573 477 K N 0.175 120.596 120.400 0.036 0.000 2.103 477 K HA 0.206 4.526 4.320 0.001 0.000 0.207 477 K C 2.425 179.054 176.600 0.048 0.000 1.048 477 K CA 2.845 59.156 56.287 0.040 0.000 0.930 477 K CB -0.719 31.800 32.500 0.032 0.000 0.716 477 K HN 1.505 nan 8.250 nan 0.000 0.444 478 A N 0.681 123.525 122.820 0.041 0.000 2.532 478 A HA 0.111 4.431 4.320 0.001 0.000 0.273 478 A C -0.094 177.524 177.584 0.056 0.000 1.342 478 A CA -0.410 51.656 52.037 0.048 0.000 0.929 478 A CB -0.555 18.464 19.000 0.031 0.000 1.051 478 A HN 0.229 nan 8.150 nan 0.000 0.521 479 K N 0.897 121.342 120.400 0.074 0.000 2.477 479 K HA 0.192 4.513 4.320 0.001 0.000 0.275 479 K C 0.200 176.872 176.600 0.119 0.000 1.054 479 K CA 1.178 57.532 56.287 0.112 0.000 1.135 479 K CB -0.208 32.377 32.500 0.143 0.000 0.854 479 K HN 0.552 nan 8.250 nan 0.000 0.484 480 G N 1.811 110.656 108.800 0.074 0.000 2.442 480 G HA2 0.433 4.394 3.960 0.001 0.000 0.296 480 G HA3 0.433 4.394 3.960 0.001 0.000 0.296 480 G C -1.499 173.304 174.900 -0.162 0.000 1.564 480 G CA -0.418 44.705 45.100 0.037 0.000 0.828 480 G HN 0.742 nan 8.290 nan 0.000 0.571 481 A N 0.125 122.842 122.820 -0.172 0.000 2.462 481 A HA 0.582 4.903 4.320 0.001 0.000 0.243 481 A C 1.586 179.077 177.584 -0.155 0.000 1.076 481 A CA 0.991 52.899 52.037 -0.216 0.000 0.773 481 A CB 0.324 19.310 19.000 -0.023 0.000 1.010 481 A HN 1.928 nan 8.150 nan 0.000 0.493 482 T N -1.186 113.296 114.554 -0.121 0.000 3.037 482 T HA 0.405 4.756 4.350 0.001 0.000 0.252 482 T C 1.417 176.059 174.700 -0.096 0.000 1.073 482 T CA 1.090 63.123 62.100 -0.113 0.000 1.091 482 T CB 0.047 68.862 68.868 -0.089 0.000 0.935 482 T HN 2.395 nan 8.240 nan 0.000 0.488 483 G N 1.854 110.619 108.800 -0.058 0.000 2.176 483 G HA2 -0.261 3.699 3.960 0.001 0.000 0.253 483 G HA3 -0.261 3.699 3.960 0.001 0.000 0.253 483 G C 0.227 175.125 174.900 -0.003 0.000 0.979 483 G CA -0.063 45.022 45.100 -0.024 0.000 0.641 483 G HN 0.688 nan 8.290 nan 0.000 0.530 484 R N 0.949 121.442 120.500 -0.012 0.000 2.594 484 R HA 0.400 4.741 4.340 0.001 0.000 0.272 484 R C -1.917 174.388 176.300 0.008 0.000 1.074 484 R CA -0.687 55.409 56.100 -0.007 0.000 1.105 484 R CB 0.788 31.074 30.300 -0.023 0.000 1.008 484 R HN 0.141 nan 8.270 nan 0.000 0.472 485 P HA 0.088 nan 4.420 nan 0.000 0.228 485 P C 0.522 177.828 177.300 0.010 0.000 1.873 485 P CA -0.065 63.033 63.100 -0.003 0.000 1.033 485 P CB 0.418 32.105 31.700 -0.021 0.000 1.707 486 V N 1.262 121.187 119.914 0.018 0.000 2.282 486 V HA -0.302 3.818 4.120 0.001 0.000 0.249 486 V C 2.681 178.790 176.094 0.025 0.000 1.057 486 V CA 2.775 65.089 62.300 0.023 0.000 1.032 486 V CB -1.267 30.572 31.823 0.026 0.000 0.645 486 V HN 0.280 nan 8.190 nan 0.000 0.447 487 A N -0.620 122.217 122.820 0.028 0.000 1.898 487 A HA -0.174 4.147 4.320 0.001 0.000 0.216 487 A C 2.256 179.878 177.584 0.062 0.000 1.181 487 A CA 1.977 54.041 52.037 0.045 0.000 0.620 487 A CB -0.534 18.494 19.000 0.048 0.000 0.819 487 A HN 0.527 nan 8.150 nan 0.000 0.442 488 L N -0.476 120.774 121.223 0.045 0.000 2.012 488 L HA -0.176 4.165 4.340 0.001 0.000 0.210 488 L C 2.357 179.277 176.870 0.084 0.000 1.073 488 L CA 1.661 56.532 54.840 0.051 0.000 0.748 488 L CB -0.245 41.819 42.059 0.008 0.000 0.891 488 L HN 0.424 nan 8.230 nan 0.000 0.431 489 L N -0.395 120.866 121.223 0.063 0.000 2.093 489 L HA -0.135 4.205 4.340 0.001 0.000 0.208 489 L C 2.877 179.834 176.870 0.145 0.000 1.085 489 L CA 0.898 55.801 54.840 0.106 0.000 0.755 489 L CB -0.850 41.239 42.059 0.050 0.000 0.904 489 L HN 0.356 nan 8.230 nan 0.000 0.435 490 A N -0.120 122.745 122.820 0.075 0.000 1.865 490 A HA -0.319 4.001 4.320 0.001 0.000 0.217 490 A C 2.228 179.845 177.584 0.054 0.000 1.191 490 A CA 2.107 54.162 52.037 0.031 0.000 0.623 490 A CB -0.645 18.359 19.000 0.007 0.000 0.826 490 A HN 0.374 nan 8.150 nan 0.000 0.444 491 Q N -1.199 118.669 119.800 0.113 0.000 2.096 491 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 491 Q C 1.707 177.807 176.000 0.165 0.000 0.982 491 Q CA 2.132 58.031 55.803 0.160 0.000 0.850 491 Q CB -0.616 28.249 28.738 0.212 0.000 0.901 491 Q HN 0.653 nan 8.270 nan 0.000 0.422 492 F N -0.171 119.799 119.950 0.033 0.000 2.102 492 F HA -0.137 4.390 4.527 0.000 0.000 0.298 492 F C 1.534 177.343 175.800 0.016 0.000 1.105 492 F CA 1.388 59.402 58.000 0.024 0.000 1.239 492 F CB -0.251 38.754 39.000 0.008 0.000 0.991 492 F HN 0.108 nan 8.300 nan 0.000 0.474 493 L N -0.298 120.903 121.223 -0.036 0.000 2.056 493 L HA -0.217 4.124 4.340 0.001 0.000 0.207 493 L C 2.557 179.329 176.870 -0.163 0.000 1.078 493 L CA 1.089 55.826 54.840 -0.172 0.000 0.749 493 L CB -0.857 41.170 42.059 -0.053 0.000 0.901 493 L HN 0.235 nan 8.230 nan 0.000 0.433 494 L N -0.115 121.048 121.223 -0.101 0.000 2.042 494 L HA -0.243 4.098 4.340 0.001 0.000 0.210 494 L C 2.434 179.297 176.870 -0.011 0.000 1.076 494 L CA 1.197 55.987 54.840 -0.082 0.000 0.749 494 L CB -0.621 41.376 42.059 -0.104 0.000 0.893 494 L HN 0.376 nan 8.230 nan 0.000 0.432 495 N N -0.256 118.428 118.700 -0.026 0.000 2.120 495 N HA -0.147 4.594 4.740 0.001 0.000 0.188 495 N C 1.892 177.334 175.510 -0.114 0.000 1.024 495 N CA 0.991 54.022 53.050 -0.032 0.000 0.852 495 N CB -0.303 38.175 38.487 -0.015 0.000 1.003 495 N HN 0.164 nan 8.380 nan 0.000 0.424 496 R N 0.969 121.317 120.500 -0.252 0.000 2.120 496 R HA 0.067 4.408 4.340 0.001 0.000 0.234 496 R C 1.695 177.918 176.300 -0.128 0.000 1.123 496 R CA 0.784 56.733 56.100 -0.253 0.000 0.975 496 R CB -0.928 29.122 30.300 -0.418 0.000 0.866 496 R HN 0.235 nan 8.270 nan 0.000 0.446 497 A N -0.373 122.391 122.820 -0.093 0.000 2.239 497 A HA 0.215 4.536 4.320 0.001 0.000 0.209 497 A C 1.500 179.085 177.584 0.003 0.000 1.171 497 A CA 1.158 53.176 52.037 -0.032 0.000 0.768 497 A CB -0.208 18.781 19.000 -0.018 0.000 0.790 497 A HN 0.432 nan 8.150 nan 0.000 0.478 498 G N -1.733 107.061 108.800 -0.010 0.000 2.217 498 G HA2 -0.297 3.664 3.960 0.001 0.000 0.246 498 G HA3 -0.297 3.664 3.960 0.001 0.000 0.246 498 G C 0.166 175.056 174.900 -0.017 0.000 0.990 498 G CA 0.128 45.219 45.100 -0.016 0.000 0.627 498 G HN 0.858 nan 8.290 nan 0.000 0.522 499 F N 2.602 122.512 119.950 -0.068 0.000 2.578 499 F HA 0.442 4.970 4.527 0.000 0.000 0.381 499 F C 0.477 176.222 175.800 -0.092 0.000 1.069 499 F CA 0.246 58.205 58.000 -0.070 0.000 1.231 499 F CB 0.323 39.287 39.000 -0.059 0.000 1.086 499 F HN 0.237 nan 8.300 nan 0.000 0.564 500 N N 3.760 121.759 118.700 -1.168 0.000 2.342 500 N HA 0.456 5.197 4.740 0.001 0.000 0.293 500 N C -0.239 174.525 175.510 -1.244 0.000 1.026 500 N CA -0.650 51.906 53.050 -0.823 0.000 0.857 500 N CB 1.212 39.437 38.487 -0.437 0.000 1.256 500 N HN 0.838 nan 8.380 nan 0.000 0.484 501 G N 2.458 110.850 108.800 -0.680 0.000 4.126 501 G HA2 0.123 4.083 3.960 0.001 0.000 0.282 501 G HA3 0.123 4.083 3.960 0.001 0.000 0.282 501 G C -0.564 174.152 174.900 -0.307 0.000 1.221 501 G CA -0.109 44.570 45.100 -0.702 0.000 1.527 501 G HN 0.605 nan 8.290 nan 0.000 0.612 502 E N 1.381 121.423 120.200 -0.263 0.000 2.260 502 E HA 0.332 4.683 4.350 0.001 0.000 0.266 502 E C -0.271 176.267 176.600 -0.103 0.000 0.887 502 E CA -0.406 55.934 56.400 -0.100 0.000 0.777 502 E CB 1.675 31.338 29.700 -0.062 0.000 1.205 502 E HN 0.564 nan 8.360 nan 0.000 0.414 503 E N 0.000 120.174 120.200 -0.043 0.000 2.725 503 E HA 0.000 4.350 4.350 0.001 0.000 0.291 503 E CA 0.000 56.382 56.400 -0.030 0.000 0.976 503 E CB 0.000 29.683 29.700 -0.028 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440