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 2aka_1_B DATA FIRST_RESID 6 DATA SEQUENCE MEDLIPLVNR LQDAFSAIGQ NADLDLPQIA VVGGQSAGKS SVLENFVGRD DATA SEQUENCE FLPRGSGIVT RRPLVLQLVN STTEYAEFLH CKGKKFTDFE EVRLEIEAET DATA SEQUENCE DRVTGTNKGI SPVPINLRVY SPHVLNLTLV DLPGMTKVPV GDQPPDIEFQ DATA SEQUENCE IRDMLMQFVT KENCLILAVS PANSDLANSD ALKIAKEVDP QGQRTIGVIT DATA SEQUENCE KLDLMDEGTD ARDVLENKLL PLRRGYIGVV NRSQKDIDGK KDITAALAAE DATA SEQUENCE RKFFLSHPSY RHLADRMGTP YLQKVLNQQL TNHIRDTLPG LRNKLQSQL 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 6 M HA 0.000 nan 4.480 nan 0.000 0.227 6 M C 0.000 176.291 176.300 -0.015 0.000 1.140 6 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 6 M CB 0.000 32.593 32.600 -0.011 0.000 1.302 7 E N 1.128 121.319 120.200 -0.014 0.000 2.463 7 E HA -0.062 4.288 4.350 -0.000 0.000 0.201 7 E C 0.265 176.857 176.600 -0.013 0.000 1.045 7 E CA 1.446 57.837 56.400 -0.016 0.000 0.872 7 E CB 0.187 29.881 29.700 -0.011 0.000 0.797 7 E HN 0.670 nan 8.360 nan 0.000 0.538 8 D N -1.169 119.225 120.400 -0.010 0.000 2.346 8 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 8 D C 1.625 177.920 176.300 -0.008 0.000 1.001 8 D CA 0.126 54.122 54.000 -0.006 0.000 0.871 8 D CB 0.216 41.015 40.800 -0.002 0.000 0.943 8 D HN 0.262 nan 8.370 nan 0.000 0.518 9 L N 0.352 121.567 121.223 -0.013 0.000 2.027 9 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 9 L C 2.441 179.302 176.870 -0.016 0.000 1.074 9 L CA 0.838 55.669 54.840 -0.016 0.000 0.745 9 L CB -0.313 41.734 42.059 -0.020 0.000 0.898 9 L HN -0.031 nan 8.230 nan 0.000 0.433 10 I N -0.121 120.436 120.570 -0.021 0.000 2.179 10 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 10 I C -0.304 175.801 176.117 -0.020 0.000 1.088 10 I CA 1.458 62.744 61.300 -0.025 0.000 1.357 10 I CB -1.354 36.622 38.000 -0.041 0.000 1.051 10 I HN 0.180 nan 8.210 nan 0.000 0.409 11 P HA -0.186 nan 4.420 nan 0.000 0.216 11 P C 1.792 179.096 177.300 0.006 0.000 1.150 11 P CA 1.113 64.209 63.100 -0.008 0.000 0.837 11 P CB -0.014 31.686 31.700 0.000 0.000 0.786 12 L N -0.548 120.679 121.223 0.007 0.000 2.017 12 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 12 L C 2.003 178.888 176.870 0.025 0.000 1.073 12 L CA 2.034 56.883 54.840 0.015 0.000 0.745 12 L CB -1.294 40.770 42.059 0.009 0.000 0.894 12 L HN -0.181 nan 8.230 nan 0.000 0.432 13 V N 0.309 120.232 119.914 0.016 0.000 2.667 13 V HA -0.229 3.891 4.120 -0.000 0.000 0.252 13 V C 2.308 178.427 176.094 0.041 0.000 1.065 13 V CA 1.813 64.129 62.300 0.027 0.000 1.083 13 V CB -1.074 30.755 31.823 0.009 0.000 0.692 13 V HN 0.563 nan 8.190 nan 0.000 0.468 14 N N 0.081 118.795 118.700 0.023 0.000 2.149 14 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 14 N C 2.037 177.575 175.510 0.047 0.000 1.019 14 N CA 1.209 54.272 53.050 0.022 0.000 0.857 14 N CB -0.122 38.361 38.487 -0.006 0.000 0.997 14 N HN 0.477 nan 8.380 nan 0.000 0.426 15 R N 0.634 121.164 120.500 0.049 0.000 2.092 15 R HA -0.014 4.326 4.340 -0.000 0.000 0.231 15 R C 2.173 178.526 176.300 0.088 0.000 1.119 15 R CA 0.683 56.817 56.100 0.057 0.000 0.970 15 R CB -0.258 30.068 30.300 0.044 0.000 0.864 15 R HN 0.251 nan 8.270 nan 0.000 0.440 16 L N 0.717 122.015 121.223 0.124 0.000 2.056 16 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 16 L C 2.497 179.566 176.870 0.331 0.000 1.078 16 L CA 1.427 56.413 54.840 0.243 0.000 0.749 16 L CB -0.350 41.849 42.059 0.234 0.000 0.901 16 L HN 0.208 nan 8.230 nan 0.000 0.433 17 Q N -0.229 119.692 119.800 0.201 0.000 2.084 17 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 17 Q C 1.804 177.913 176.000 0.182 0.000 0.978 17 Q CA 1.646 57.566 55.803 0.195 0.000 0.844 17 Q CB -0.128 28.680 28.738 0.117 0.000 0.898 17 Q HN 0.455 nan 8.270 nan 0.000 0.426 18 D N 0.413 120.887 120.400 0.123 0.000 2.117 18 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 18 D C 1.745 178.085 176.300 0.066 0.000 0.987 18 D CA 1.424 55.479 54.000 0.091 0.000 0.829 18 D CB -0.243 40.596 40.800 0.065 0.000 0.961 18 D HN 0.279 nan 8.370 nan 0.000 0.460 19 A N -0.310 122.529 122.820 0.032 0.000 1.969 19 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 19 A C 1.722 179.174 177.584 -0.220 0.000 1.169 19 A CA 0.838 52.803 52.037 -0.122 0.000 0.635 19 A CB -0.711 18.154 19.000 -0.225 0.000 0.810 19 A HN 0.195 nan 8.150 nan 0.000 0.445 20 F N 0.553 120.519 119.950 0.028 0.000 2.765 20 F HA 0.008 4.535 4.527 -0.000 0.000 0.302 20 F C 2.456 178.276 175.800 0.034 0.000 1.111 20 F CA 0.675 58.689 58.000 0.024 0.000 1.359 20 F CB 0.032 39.042 39.000 0.017 0.000 1.097 20 F HN 0.288 nan 8.300 nan 0.000 0.577 21 S N 0.299 116.106 115.700 0.178 0.000 2.420 21 S HA -0.202 4.268 4.470 -0.000 0.000 0.237 21 S C 1.890 176.556 174.600 0.110 0.000 1.023 21 S CA 1.071 59.357 58.200 0.145 0.000 0.991 21 S CB -0.527 62.748 63.200 0.124 0.000 0.792 21 S HN 0.256 nan 8.310 nan 0.000 0.488 22 A N 0.191 123.057 122.820 0.076 0.000 2.387 22 A HA 0.560 4.880 4.320 -0.000 0.000 0.234 22 A C 0.488 178.102 177.584 0.050 0.000 1.253 22 A CA -0.478 51.591 52.037 0.054 0.000 0.894 22 A CB -0.135 18.884 19.000 0.032 0.000 0.963 22 A HN 0.521 nan 8.150 nan 0.000 0.508 23 I N 1.301 121.920 120.570 0.082 0.000 2.304 23 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 23 I C 1.212 177.384 176.117 0.093 0.000 1.018 23 I CA -0.563 60.793 61.300 0.094 0.000 1.260 23 I CB 1.332 39.431 38.000 0.166 0.000 1.390 23 I HN 0.281 nan 8.210 nan 0.000 0.475 24 G N 4.333 113.168 108.800 0.057 0.000 2.732 24 G HA2 0.008 3.968 3.960 -0.000 0.000 0.244 24 G HA3 0.008 3.968 3.960 -0.000 0.000 0.244 24 G C -0.040 174.872 174.900 0.020 0.000 1.226 24 G CA -0.316 44.806 45.100 0.037 0.000 0.860 24 G HN 0.644 nan 8.290 nan 0.000 0.583 25 Q N -0.153 119.642 119.800 -0.008 0.000 2.304 25 Q HA 0.048 4.388 4.340 -0.000 0.000 0.315 25 Q C -0.275 175.703 176.000 -0.036 0.000 1.075 25 Q CA 0.430 56.203 55.803 -0.049 0.000 0.988 25 Q CB 0.310 29.013 28.738 -0.057 0.000 1.146 25 Q HN 0.576 nan 8.270 nan 0.000 0.383 26 N N 2.720 121.386 118.700 -0.057 0.000 2.558 26 N HA 0.302 5.042 4.740 -0.000 0.000 0.285 26 N C -0.535 174.932 175.510 -0.072 0.000 1.112 26 N CA 0.254 53.279 53.050 -0.041 0.000 0.857 26 N CB 1.168 39.646 38.487 -0.014 0.000 1.376 26 N HN 0.582 nan 8.380 nan 0.000 0.526 27 A N 2.488 125.271 122.820 -0.062 0.000 2.131 27 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 27 A C 1.140 178.684 177.584 -0.067 0.000 1.158 27 A CA 1.397 53.393 52.037 -0.069 0.000 0.665 27 A CB -0.054 18.917 19.000 -0.047 0.000 0.795 27 A HN 0.703 nan 8.150 nan 0.000 0.460 28 D N -1.136 119.229 120.400 -0.057 0.000 2.346 28 D HA 0.102 4.741 4.640 -0.000 0.000 0.206 28 D C -0.103 176.151 176.300 -0.076 0.000 1.001 28 D CA 0.087 54.055 54.000 -0.053 0.000 0.871 28 D CB -0.003 40.778 40.800 -0.033 0.000 0.943 28 D HN 0.222 nan 8.370 nan 0.000 0.518 29 L N 1.707 122.866 121.223 -0.106 0.000 2.361 29 L HA 0.136 4.476 4.340 -0.000 0.000 0.278 29 L C -0.042 176.709 176.870 -0.198 0.000 1.113 29 L CA 0.368 55.102 54.840 -0.177 0.000 0.849 29 L CB 0.713 42.639 42.059 -0.222 0.000 1.155 29 L HN -0.221 nan 8.230 nan 0.000 0.452 30 D N 4.288 124.575 120.400 -0.187 0.000 2.468 30 D HA 0.232 4.871 4.640 -0.000 0.000 0.272 30 D C -0.583 175.638 176.300 -0.132 0.000 1.221 30 D CA -0.321 53.596 54.000 -0.138 0.000 0.860 30 D CB 0.210 40.961 40.800 -0.083 0.000 1.190 30 D HN 0.276 nan 8.370 nan 0.000 0.509 31 L N 2.223 123.347 121.223 -0.166 0.000 2.439 31 L HA 0.373 4.713 4.340 -0.000 0.000 0.269 31 L C -1.704 175.142 176.870 -0.039 0.000 1.179 31 L CA -1.538 53.228 54.840 -0.125 0.000 0.828 31 L CB 0.607 42.582 42.059 -0.140 0.000 1.106 31 L HN 0.177 nan 8.230 nan 0.000 0.467 32 P HA 0.098 nan 4.420 nan 0.000 0.276 32 P C -1.395 175.968 177.300 0.104 0.000 1.264 32 P CA -0.103 63.002 63.100 0.007 0.000 0.769 32 P CB 0.920 32.469 31.700 -0.251 0.000 0.840 33 Q N 2.611 122.513 119.800 0.171 0.000 2.738 33 Q HA 0.599 4.939 4.340 -0.000 0.000 0.301 33 Q C -1.558 174.489 176.000 0.078 0.000 0.901 33 Q CA -1.075 54.793 55.803 0.107 0.000 0.756 33 Q CB 1.000 29.791 28.738 0.088 0.000 1.463 33 Q HN 0.223 nan 8.270 nan 0.000 0.432 34 I N 1.044 121.638 120.570 0.040 0.000 2.406 34 I HA 0.692 4.862 4.170 -0.000 0.000 0.290 34 I C -0.718 175.400 176.117 0.000 0.000 0.999 34 I CA -0.915 60.387 61.300 0.004 0.000 1.124 34 I CB 1.940 39.932 38.000 -0.013 0.000 1.289 34 I HN 0.756 nan 8.210 nan 0.000 0.441 35 A N 6.386 129.199 122.820 -0.012 0.000 2.304 35 A HA 0.731 5.051 4.320 -0.000 0.000 0.323 35 A C -0.573 176.973 177.584 -0.064 0.000 1.195 35 A CA -0.513 51.489 52.037 -0.058 0.000 0.826 35 A CB 1.111 20.090 19.000 -0.035 0.000 1.184 35 A HN 0.454 nan 8.150 nan 0.000 0.496 36 V N 3.283 123.145 119.914 -0.086 0.000 2.364 36 V HA 0.390 4.510 4.120 -0.000 0.000 0.272 36 V C -0.187 175.860 176.094 -0.079 0.000 1.036 36 V CA -0.346 61.915 62.300 -0.065 0.000 0.880 36 V CB 0.950 32.741 31.823 -0.053 0.000 0.991 36 V HN 0.593 nan 8.190 nan 0.000 0.460 37 V N 4.090 123.969 119.914 -0.058 0.000 2.495 37 V HA 0.975 5.095 4.120 -0.000 0.000 0.298 37 V C 0.466 176.535 176.094 -0.042 0.000 1.031 37 V CA -0.032 62.237 62.300 -0.051 0.000 0.871 37 V CB 1.715 33.518 31.823 -0.034 0.000 0.988 37 V HN 1.048 nan 8.190 nan 0.000 0.432 38 G N 2.320 111.093 108.800 -0.044 0.000 2.703 38 G HA2 0.596 4.556 3.960 -0.000 0.000 0.294 38 G HA3 0.596 4.556 3.960 -0.000 0.000 0.294 38 G C -0.382 174.494 174.900 -0.040 0.000 1.451 38 G CA -0.114 44.962 45.100 -0.039 0.000 0.869 38 G HN 0.985 nan 8.290 nan 0.000 0.516 39 G N -0.809 107.971 108.800 -0.033 0.000 2.527 39 G HA2 0.370 4.329 3.960 -0.000 0.000 0.248 39 G HA3 0.370 4.329 3.960 -0.000 0.000 0.248 39 G C 0.826 175.700 174.900 -0.044 0.000 1.231 39 G CA 0.026 45.104 45.100 -0.036 0.000 0.838 39 G HN 0.749 nan 8.290 nan 0.000 0.570 40 Q N 0.100 119.871 119.800 -0.047 0.000 2.248 40 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 40 Q C 2.360 178.330 176.000 -0.051 0.000 0.984 40 Q CA 1.871 57.644 55.803 -0.051 0.000 0.875 40 Q CB -0.049 28.659 28.738 -0.050 0.000 0.910 40 Q HN 0.669 nan 8.270 nan 0.000 0.433 41 S N -1.799 113.875 115.700 -0.044 0.000 2.575 41 S HA 0.243 4.712 4.470 -0.000 0.000 0.215 41 S C 1.563 176.136 174.600 -0.045 0.000 0.966 41 S CA 0.233 58.407 58.200 -0.043 0.000 0.911 41 S CB 0.629 63.808 63.200 -0.035 0.000 0.780 41 S HN 0.389 nan 8.310 nan 0.000 0.514 42 A N 1.373 124.165 122.820 -0.047 0.000 2.119 42 A HA 0.507 4.826 4.320 -0.000 0.000 0.216 42 A C 1.832 179.378 177.584 -0.062 0.000 1.152 42 A CA 0.573 52.582 52.037 -0.047 0.000 0.708 42 A CB -1.233 17.743 19.000 -0.041 0.000 0.805 42 A HN 1.544 nan 8.150 nan 0.000 0.460 43 G N 0.256 109.012 108.800 -0.073 0.000 2.160 43 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 43 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 43 G C 0.806 175.639 174.900 -0.111 0.000 1.022 43 G CA 0.837 45.882 45.100 -0.091 0.000 0.741 43 G HN 0.881 nan 8.290 nan 0.000 0.508 44 K N -0.544 119.793 120.400 -0.106 0.000 2.211 44 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 44 K C 2.216 178.721 176.600 -0.158 0.000 1.050 44 K CA 1.642 57.855 56.287 -0.124 0.000 0.945 44 K CB -0.240 32.200 32.500 -0.100 0.000 0.732 44 K HN 0.221 nan 8.250 nan 0.000 0.451 45 S N 1.519 117.125 115.700 -0.157 0.000 2.368 45 S HA -0.156 4.313 4.470 -0.000 0.000 0.225 45 S C 2.151 176.620 174.600 -0.218 0.000 1.030 45 S CA 1.592 59.673 58.200 -0.198 0.000 0.999 45 S CB -0.302 62.782 63.200 -0.194 0.000 0.844 45 S HN 0.678 nan 8.310 nan 0.000 0.459 46 S N 1.469 117.058 115.700 -0.186 0.000 2.382 46 S HA -0.072 4.397 4.470 -0.000 0.000 0.228 46 S C 1.876 176.336 174.600 -0.233 0.000 1.027 46 S CA 1.181 59.272 58.200 -0.181 0.000 0.991 46 S CB -0.788 62.325 63.200 -0.144 0.000 0.823 46 S HN 0.280 nan 8.310 nan 0.000 0.469 47 V N 2.427 122.174 119.914 -0.279 0.000 2.287 47 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 47 V C 2.616 178.266 176.094 -0.739 0.000 1.053 47 V CA 1.983 64.008 62.300 -0.457 0.000 1.027 47 V CB -0.895 30.684 31.823 -0.406 0.000 0.646 47 V HN 0.488 nan 8.190 nan 0.000 0.447 48 L N -0.444 120.490 121.223 -0.482 0.000 2.056 48 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 48 L C 2.541 179.383 176.870 -0.047 0.000 1.078 48 L CA 1.631 56.300 54.840 -0.285 0.000 0.749 48 L CB -0.714 41.309 42.059 -0.061 0.000 0.901 48 L HN 0.371 nan 8.230 nan 0.000 0.433 49 E N 0.081 120.222 120.200 -0.098 0.000 2.204 49 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 49 E C 1.677 178.270 176.600 -0.012 0.000 0.989 49 E CA 0.659 57.070 56.400 0.018 0.000 0.824 49 E CB -0.065 29.564 29.700 -0.117 0.000 0.756 49 E HN 0.447 nan 8.360 nan 0.000 0.477 50 N N 0.034 118.666 118.700 -0.112 0.000 2.457 50 N HA -0.029 4.711 4.740 -0.000 0.000 0.180 50 N C 1.330 176.880 175.510 0.068 0.000 1.050 50 N CA 0.648 53.656 53.050 -0.070 0.000 0.906 50 N CB -0.011 38.415 38.487 -0.102 0.000 0.968 50 N HN 0.215 nan 8.380 nan 0.000 0.445 51 F N 0.289 120.238 119.950 -0.002 0.000 2.098 51 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 51 F C 2.249 178.038 175.800 -0.017 0.000 1.107 51 F CA 0.485 58.482 58.000 -0.006 0.000 1.234 51 F CB -0.079 38.922 39.000 0.002 0.000 1.002 51 F HN -0.157 nan 8.300 nan 0.000 0.472 52 V N -0.243 119.785 119.914 0.191 0.000 2.427 52 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 52 V C 1.844 177.881 176.094 -0.095 0.000 1.051 52 V CA 1.648 63.952 62.300 0.005 0.000 1.048 52 V CB -1.100 30.666 31.823 -0.094 0.000 0.666 52 V HN 0.684 nan 8.190 nan 0.000 0.456 53 G N 0.307 109.039 108.800 -0.113 0.000 2.136 53 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 53 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 53 G C 0.092 174.847 174.900 -0.242 0.000 0.989 53 G CA 0.146 45.094 45.100 -0.255 0.000 0.682 53 G HN 0.441 nan 8.290 nan 0.000 0.522 54 R N -0.078 120.295 120.500 -0.211 0.000 2.668 54 R HA 0.393 4.733 4.340 -0.000 0.000 0.272 54 R C -1.536 174.771 176.300 0.011 0.000 1.019 54 R CA -0.972 55.001 56.100 -0.212 0.000 0.894 54 R CB 1.097 30.979 30.300 -0.697 0.000 1.228 54 R HN 0.122 nan 8.270 nan 0.000 0.460 55 D N 2.565 122.994 120.400 0.048 0.000 2.308 55 D HA 0.221 4.861 4.640 -0.000 0.000 0.251 55 D C 0.702 177.137 176.300 0.225 0.000 1.127 55 D CA 0.214 54.251 54.000 0.061 0.000 0.876 55 D CB 0.494 41.305 40.800 0.018 0.000 1.176 55 D HN 0.533 nan 8.370 nan 0.000 0.446 56 F N -0.139 119.848 119.950 0.061 0.000 3.031 56 F HA 0.307 4.834 4.527 -0.000 0.000 0.365 56 F C -0.692 175.174 175.800 0.110 0.000 1.128 56 F CA -0.589 57.506 58.000 0.159 0.000 1.068 56 F CB -0.093 39.083 39.000 0.293 0.000 1.280 56 F HN 0.057 nan 8.300 nan 0.000 0.529 57 L N 2.989 123.891 121.223 -0.535 0.000 2.343 57 L HA 0.565 4.905 4.340 -0.000 0.000 0.275 57 L C -2.221 174.553 176.870 -0.159 0.000 1.056 57 L CA -2.029 52.565 54.840 -0.410 0.000 0.804 57 L CB 1.094 42.821 42.059 -0.554 0.000 1.203 57 L HN -0.249 nan 8.230 nan 0.000 0.440 58 P HA 0.030 nan 4.420 nan 0.000 0.266 58 P C -1.122 176.141 177.300 -0.062 0.000 1.193 58 P CA 0.228 63.303 63.100 -0.041 0.000 0.770 58 P CB 0.431 32.115 31.700 -0.026 0.000 0.836 59 R N 1.645 122.121 120.500 -0.040 0.000 2.670 59 R HA 0.829 5.169 4.340 -0.000 0.000 0.289 59 R C -0.007 176.274 176.300 -0.032 0.000 0.965 59 R CA -0.760 55.315 56.100 -0.043 0.000 0.899 59 R CB 2.305 32.585 30.300 -0.034 0.000 1.173 59 R HN 0.726 nan 8.270 nan 0.000 0.456 60 G N 0.121 108.899 108.800 -0.037 0.000 2.328 60 G HA2 0.101 4.060 3.960 -0.000 0.000 0.295 60 G HA3 0.101 4.060 3.960 -0.000 0.000 0.295 60 G C -1.484 173.396 174.900 -0.033 0.000 1.413 60 G CA -0.647 44.436 45.100 -0.030 0.000 0.817 60 G HN 0.381 nan 8.290 nan 0.000 0.546 61 S N -0.557 115.126 115.700 -0.029 0.000 2.580 61 S HA 0.598 5.067 4.470 -0.000 0.000 0.274 61 S C 1.374 175.953 174.600 -0.034 0.000 1.329 61 S CA 1.715 59.897 58.200 -0.030 0.000 1.036 61 S CB 0.427 63.611 63.200 -0.026 0.000 0.919 61 S HN 2.584 nan 8.310 nan 0.000 0.515 62 G N 4.131 112.909 108.800 -0.038 0.000 2.543 62 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.286 62 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.286 62 G C 0.170 175.043 174.900 -0.045 0.000 1.153 62 G CA 0.088 45.163 45.100 -0.041 0.000 0.968 62 G HN 1.000 nan 8.290 nan 0.000 0.544 63 I N 1.649 122.193 120.570 -0.043 0.000 2.556 63 I HA 0.374 4.544 4.170 -0.000 0.000 0.284 63 I C 1.648 177.737 176.117 -0.046 0.000 1.114 63 I CA 0.642 61.915 61.300 -0.045 0.000 1.418 63 I CB 1.397 39.373 38.000 -0.039 0.000 1.394 63 I HN 0.801 nan 8.210 nan 0.000 0.552 64 V N 5.815 125.697 119.914 -0.054 0.000 3.212 64 V HA 0.199 4.319 4.120 -0.000 0.000 0.244 64 V C 0.726 176.789 176.094 -0.052 0.000 1.151 64 V CA 0.856 63.120 62.300 -0.060 0.000 1.119 64 V CB 0.680 32.453 31.823 -0.084 0.000 0.838 64 V HN 0.778 nan 8.190 nan 0.000 0.470 65 T N 1.797 116.320 114.554 -0.051 0.000 2.788 65 T HA 0.480 4.830 4.350 -0.000 0.000 0.296 65 T C 0.503 175.184 174.700 -0.033 0.000 1.009 65 T CA -0.373 61.703 62.100 -0.041 0.000 0.949 65 T CB 1.352 70.188 68.868 -0.054 0.000 0.946 65 T HN 0.323 nan 8.240 nan 0.000 0.453 66 R N 1.764 122.252 120.500 -0.020 0.000 2.365 66 R HA 0.264 4.604 4.340 -0.000 0.000 0.223 66 R C 0.430 176.729 176.300 -0.002 0.000 0.899 66 R CA 0.084 56.176 56.100 -0.013 0.000 1.059 66 R CB 0.767 31.060 30.300 -0.012 0.000 1.086 66 R HN 0.359 nan 8.270 nan 0.000 0.522 67 R N 0.554 121.054 120.500 0.001 0.000 2.673 67 R HA 0.327 4.667 4.340 -0.000 0.000 0.281 67 R C -2.867 173.437 176.300 0.008 0.000 0.991 67 R CA -2.194 53.916 56.100 0.017 0.000 0.896 67 R CB 1.990 32.302 30.300 0.019 0.000 1.201 67 R HN -0.180 nan 8.270 nan 0.000 0.457 68 P HA -0.055 nan 4.420 nan 0.000 0.264 68 P C -1.090 176.212 177.300 0.003 0.000 1.193 68 P CA -0.137 62.932 63.100 -0.051 0.000 0.763 68 P CB 0.456 32.150 31.700 -0.010 0.000 0.810 69 L N 5.880 127.095 121.223 -0.014 0.000 2.276 69 L HA 0.301 4.640 4.340 -0.000 0.000 0.286 69 L C -0.843 176.047 176.870 0.034 0.000 1.024 69 L CA -0.418 54.450 54.840 0.046 0.000 0.826 69 L CB 1.141 43.241 42.059 0.068 0.000 1.211 69 L HN 0.026 nan 8.230 nan 0.000 0.422 70 V N 6.675 126.624 119.914 0.058 0.000 2.356 70 V HA 0.213 4.333 4.120 -0.000 0.000 0.258 70 V C -0.038 176.071 176.094 0.025 0.000 1.065 70 V CA -0.340 61.988 62.300 0.046 0.000 0.935 70 V CB 0.835 32.703 31.823 0.074 0.000 1.061 70 V HN 0.609 nan 8.190 nan 0.000 0.484 71 L N 6.242 127.475 121.223 0.017 0.000 2.262 71 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 71 L C 0.055 176.897 176.870 -0.047 0.000 1.035 71 L CA 0.327 55.164 54.840 -0.006 0.000 0.820 71 L CB 1.196 43.294 42.059 0.066 0.000 1.204 71 L HN 0.633 nan 8.230 nan 0.000 0.424 72 Q N 6.087 125.821 119.800 -0.109 0.000 2.398 72 Q HA 0.470 4.810 4.340 -0.000 0.000 0.251 72 Q C -1.203 174.661 176.000 -0.227 0.000 0.999 72 Q CA -0.327 55.389 55.803 -0.145 0.000 0.874 72 Q CB 1.515 30.165 28.738 -0.145 0.000 1.215 72 Q HN 0.628 nan 8.270 nan 0.000 0.470 73 L N 2.769 123.874 121.223 -0.197 0.000 2.289 73 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 73 L C -0.452 176.257 176.870 -0.268 0.000 1.049 73 L CA -0.938 53.763 54.840 -0.232 0.000 0.804 73 L CB 1.160 43.122 42.059 -0.162 0.000 1.195 73 L HN 0.262 nan 8.230 nan 0.000 0.428 74 V N 2.308 122.007 119.914 -0.358 0.000 2.443 74 V HA 0.185 4.305 4.120 -0.000 0.000 0.293 74 V C -0.059 175.936 176.094 -0.164 0.000 1.021 74 V CA -0.833 61.278 62.300 -0.315 0.000 0.848 74 V CB 1.774 33.241 31.823 -0.594 0.000 0.998 74 V HN 0.759 nan 8.190 nan 0.000 0.424 75 N N 3.260 121.910 118.700 -0.084 0.000 2.447 75 N HA 0.256 4.996 4.740 -0.000 0.000 0.263 75 N C -0.294 175.238 175.510 0.036 0.000 1.226 75 N CA 0.751 53.781 53.050 -0.033 0.000 0.906 75 N CB 0.620 39.087 38.487 -0.034 0.000 1.060 75 N HN 0.832 nan 8.380 nan 0.000 0.468 76 S N 1.650 117.378 115.700 0.048 0.000 2.579 76 S HA 0.329 4.799 4.470 -0.000 0.000 0.272 76 S C 0.623 175.249 174.600 0.044 0.000 1.141 76 S CA -0.687 57.570 58.200 0.095 0.000 0.843 76 S CB 1.341 64.667 63.200 0.210 0.000 1.122 76 S HN 0.547 nan 8.310 nan 0.000 0.468 77 T N 1.360 115.941 114.554 0.045 0.000 2.942 77 T HA 0.136 4.485 4.350 -0.000 0.000 0.265 77 T C 0.940 175.660 174.700 0.033 0.000 1.062 77 T CA 1.676 63.789 62.100 0.022 0.000 1.139 77 T CB -0.233 68.647 68.868 0.019 0.000 0.883 77 T HN 0.698 nan 8.240 nan 0.000 0.468 78 T N 0.878 115.480 114.554 0.079 0.000 2.912 78 T HA 0.405 4.755 4.350 -0.000 0.000 0.280 78 T C -0.922 173.887 174.700 0.181 0.000 0.989 78 T CA -0.794 61.381 62.100 0.125 0.000 0.995 78 T CB 1.359 70.317 68.868 0.151 0.000 1.077 78 T HN 0.235 nan 8.240 nan 0.000 0.531 79 E N 1.940 122.280 120.200 0.233 0.000 2.220 79 E HA 0.522 4.872 4.350 -0.000 0.000 0.256 79 E C -1.691 175.129 176.600 0.367 0.000 0.881 79 E CA -0.780 55.772 56.400 0.254 0.000 0.766 79 E CB 0.776 30.608 29.700 0.219 0.000 1.187 79 E HN 0.686 nan 8.360 nan 0.000 0.419 80 Y N 1.103 121.500 120.300 0.161 0.000 2.702 80 Y HA 0.750 5.300 4.550 -0.000 0.000 0.336 80 Y C -1.823 174.107 175.900 0.050 0.000 1.203 80 Y CA -1.116 57.013 58.100 0.049 0.000 1.072 80 Y CB 0.587 39.061 38.460 0.024 0.000 1.327 80 Y HN 0.394 nan 8.280 nan 0.000 0.456 81 A N 1.218 124.032 122.820 -0.009 0.000 2.423 81 A HA 0.879 5.198 4.320 -0.000 0.000 0.304 81 A C -1.408 176.207 177.584 0.051 0.000 1.104 81 A CA -0.584 51.351 52.037 -0.170 0.000 0.757 81 A CB 1.854 20.580 19.000 -0.457 0.000 1.313 81 A HN 0.920 nan 8.150 nan 0.000 0.423 82 E N 0.342 120.470 120.200 -0.120 0.000 2.321 82 E HA 0.628 4.978 4.350 -0.000 0.000 0.278 82 E C -1.864 174.604 176.600 -0.221 0.000 0.902 82 E CA -0.565 55.855 56.400 0.032 0.000 0.758 82 E CB 1.444 31.265 29.700 0.203 0.000 1.213 82 E HN 0.339 nan 8.360 nan 0.000 0.426 83 F N 1.657 121.568 119.950 -0.065 0.000 2.422 83 F HA 0.261 4.788 4.527 -0.000 0.000 0.333 83 F C 1.070 176.827 175.800 -0.071 0.000 1.095 83 F CA -0.973 56.952 58.000 -0.125 0.000 1.038 83 F CB 1.492 40.270 39.000 -0.371 0.000 1.156 83 F HN 0.510 nan 8.300 nan 0.000 0.483 84 L N 2.874 124.217 121.223 0.200 0.000 2.141 84 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 84 L C 2.597 179.564 176.870 0.162 0.000 1.094 84 L CA 1.806 56.740 54.840 0.156 0.000 0.763 84 L CB -0.950 41.202 42.059 0.155 0.000 0.908 84 L HN 0.722 nan 8.230 nan 0.000 0.437 85 H N -3.294 115.882 119.070 0.176 0.000 2.551 85 H HA 0.024 4.580 4.556 -0.000 0.000 0.266 85 H C 0.486 175.885 175.328 0.119 0.000 0.977 85 H CA 0.493 56.610 56.048 0.115 0.000 1.163 85 H CB -0.805 29.000 29.762 0.070 0.000 1.381 85 H HN 0.341 nan 8.280 nan 0.000 0.581 86 C N 3.379 122.541 119.300 -0.230 0.000 2.878 86 C HA 0.215 4.675 4.460 -0.000 0.000 0.313 86 C C 0.649 175.672 174.990 0.055 0.000 1.397 86 C CA -0.970 58.005 59.018 -0.072 0.000 1.636 86 C CB -1.757 25.971 27.740 -0.019 0.000 2.075 86 C HN 0.486 nan 8.230 nan 0.000 0.518 87 K N 1.251 121.682 120.400 0.053 0.000 2.476 87 K HA 0.128 4.448 4.320 -0.000 0.000 0.273 87 K C 1.420 178.051 176.600 0.052 0.000 1.056 87 K CA 1.749 58.072 56.287 0.058 0.000 1.150 87 K CB -0.052 32.476 32.500 0.047 0.000 0.838 87 K HN 1.028 nan 8.250 nan 0.000 0.486 88 G N 3.214 112.050 108.800 0.060 0.000 2.284 88 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.261 88 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.261 88 G C 0.133 175.052 174.900 0.032 0.000 0.997 88 G CA 0.768 45.890 45.100 0.038 0.000 0.621 88 G HN 0.685 nan 8.290 nan 0.000 0.534 89 K N 1.016 121.452 120.400 0.059 0.000 2.298 89 K HA 0.430 4.750 4.320 -0.000 0.000 0.280 89 K C -0.116 176.543 176.600 0.098 0.000 1.032 89 K CA -0.301 55.996 56.287 0.017 0.000 0.958 89 K CB 0.299 32.786 32.500 -0.021 0.000 0.978 89 K HN -0.026 nan 8.250 nan 0.000 0.472 90 K N 4.336 124.729 120.400 -0.011 0.000 2.265 90 K HA 0.263 4.583 4.320 -0.000 0.000 0.267 90 K C -0.920 175.705 176.600 0.040 0.000 0.994 90 K CA -0.482 55.859 56.287 0.091 0.000 0.860 90 K CB 0.807 33.255 32.500 -0.087 0.000 1.099 90 K HN 0.386 nan 8.250 nan 0.000 0.448 91 F N 1.083 121.057 119.950 0.040 0.000 2.410 91 F HA 0.158 4.684 4.527 -0.000 0.000 0.349 91 F C 1.715 177.446 175.800 -0.114 0.000 1.117 91 F CA -0.339 57.636 58.000 -0.042 0.000 1.104 91 F CB 1.473 40.432 39.000 -0.068 0.000 1.122 91 F HN 0.550 nan 8.300 nan 0.000 0.483 92 T N -2.992 111.583 114.554 0.035 0.000 2.959 92 T HA 0.084 4.434 4.350 -0.000 0.000 0.254 92 T C 0.037 174.737 174.700 0.001 0.000 1.003 92 T CA -0.130 61.976 62.100 0.011 0.000 0.950 92 T CB 0.012 68.911 68.868 0.051 0.000 1.090 92 T HN 0.351 nan 8.240 nan 0.000 0.503 93 D N 0.548 120.963 120.400 0.025 0.000 2.359 93 D HA 0.310 4.950 4.640 -0.000 0.000 0.230 93 D C 0.007 176.367 176.300 0.099 0.000 1.118 93 D CA -1.306 52.760 54.000 0.110 0.000 0.844 93 D CB 0.469 41.337 40.800 0.113 0.000 1.059 93 D HN 0.094 nan 8.370 nan 0.000 0.493 94 F N 1.664 121.719 119.950 0.176 0.000 2.451 94 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 94 F C 2.186 178.111 175.800 0.208 0.000 1.101 94 F CA 0.514 58.627 58.000 0.188 0.000 1.436 94 F CB 0.244 39.344 39.000 0.168 0.000 1.074 94 F HN 0.404 nan 8.300 nan 0.000 0.553 95 E N 0.172 120.556 120.200 0.307 0.000 2.208 95 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 95 E C 2.002 178.732 176.600 0.218 0.000 0.988 95 E CA 0.730 57.268 56.400 0.230 0.000 0.828 95 E CB -0.191 29.610 29.700 0.169 0.000 0.763 95 E HN 0.422 nan 8.360 nan 0.000 0.478 96 E N 0.489 120.833 120.200 0.241 0.000 2.158 96 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 96 E C 2.303 179.117 176.600 0.357 0.000 0.982 96 E CA 0.253 56.832 56.400 0.299 0.000 0.823 96 E CB -0.094 29.809 29.700 0.338 0.000 0.766 96 E HN 0.066 nan 8.360 nan 0.000 0.468 97 V N 1.669 121.757 119.914 0.291 0.000 2.295 97 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 97 V C 2.667 178.933 176.094 0.287 0.000 1.049 97 V CA 2.089 64.495 62.300 0.177 0.000 1.024 97 V CB -0.512 31.355 31.823 0.073 0.000 0.648 97 V HN 0.220 nan 8.190 nan 0.000 0.447 98 R N -0.098 120.575 120.500 0.290 0.000 2.081 98 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 98 R C 2.268 178.656 176.300 0.147 0.000 1.131 98 R CA 1.743 57.975 56.100 0.221 0.000 0.960 98 R CB -0.347 30.062 30.300 0.181 0.000 0.856 98 R HN 0.457 nan 8.270 nan 0.000 0.436 99 L N 0.562 121.871 121.223 0.144 0.000 2.131 99 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 99 L C 2.510 179.419 176.870 0.065 0.000 1.092 99 L CA 1.320 56.220 54.840 0.101 0.000 0.759 99 L CB -0.325 41.801 42.059 0.112 0.000 0.903 99 L HN 0.277 nan 8.230 nan 0.000 0.435 100 E N 0.751 120.983 120.200 0.053 0.000 2.107 100 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 100 E C 2.068 178.554 176.600 -0.190 0.000 0.982 100 E CA 1.127 57.459 56.400 -0.113 0.000 0.809 100 E CB -0.112 29.376 29.700 -0.352 0.000 0.756 100 E HN 0.399 nan 8.360 nan 0.000 0.459 101 I N 0.608 121.152 120.570 -0.044 0.000 2.179 101 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 101 I C 2.192 178.305 176.117 -0.006 0.000 1.088 101 I CA 1.495 62.815 61.300 0.032 0.000 1.357 101 I CB -0.278 37.825 38.000 0.172 0.000 1.051 101 I HN 0.179 nan 8.210 nan 0.000 0.409 102 E N 0.874 121.080 120.200 0.011 0.000 2.051 102 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 102 E C 2.337 178.925 176.600 -0.019 0.000 0.991 102 E CA 1.376 57.776 56.400 -0.000 0.000 0.799 102 E CB -0.216 29.493 29.700 0.014 0.000 0.748 102 E HN 0.523 nan 8.360 nan 0.000 0.449 103 A N 1.361 124.166 122.820 -0.024 0.000 1.873 103 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 103 A C 2.116 179.662 177.584 -0.063 0.000 1.186 103 A CA 1.731 53.750 52.037 -0.030 0.000 0.616 103 A CB -0.444 18.549 19.000 -0.012 0.000 0.823 103 A HN 0.158 nan 8.150 nan 0.000 0.442 104 E N -0.120 120.010 120.200 -0.117 0.000 2.153 104 E HA -0.117 4.232 4.350 -0.000 0.000 0.194 104 E C 1.931 178.444 176.600 -0.144 0.000 0.988 104 E CA 2.028 58.304 56.400 -0.206 0.000 0.811 104 E CB -0.629 28.807 29.700 -0.440 0.000 0.746 104 E HN 0.516 nan 8.360 nan 0.000 0.466 105 T N 0.716 115.215 114.554 -0.092 0.000 2.737 105 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 105 T C 1.140 175.815 174.700 -0.042 0.000 1.038 105 T CA 1.335 63.402 62.100 -0.055 0.000 1.144 105 T CB -0.402 68.448 68.868 -0.029 0.000 0.866 105 T HN 0.194 nan 8.240 nan 0.000 0.434 106 D N 0.759 121.138 120.400 -0.035 0.000 2.144 106 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 106 D C 2.190 178.474 176.300 -0.027 0.000 0.984 106 D CA 0.750 54.736 54.000 -0.024 0.000 0.834 106 D CB -0.315 40.475 40.800 -0.017 0.000 0.955 106 D HN 0.255 nan 8.370 nan 0.000 0.465 107 R N 0.433 120.910 120.500 -0.038 0.000 2.103 107 R HA -0.139 4.200 4.340 -0.000 0.000 0.242 107 R C 1.940 178.220 176.300 -0.032 0.000 1.142 107 R CA 1.178 57.256 56.100 -0.037 0.000 0.960 107 R CB -0.103 30.164 30.300 -0.055 0.000 0.858 107 R HN 0.080 nan 8.270 nan 0.000 0.439 108 V N 0.069 119.959 119.914 -0.039 0.000 2.426 108 V HA -0.077 4.043 4.120 -0.000 0.000 0.242 108 V C 1.026 177.111 176.094 -0.014 0.000 1.036 108 V CA 1.499 63.783 62.300 -0.026 0.000 1.044 108 V CB -0.048 31.756 31.823 -0.030 0.000 0.688 108 V HN 0.531 nan 8.190 nan 0.000 0.462 109 T N -0.501 114.045 114.554 -0.014 0.000 2.769 109 T HA 0.344 4.694 4.350 -0.000 0.000 0.293 109 T C 1.317 176.014 174.700 -0.005 0.000 0.931 109 T CA 0.220 62.316 62.100 -0.007 0.000 1.139 109 T CB 1.148 70.012 68.868 -0.006 0.000 0.881 109 T HN 0.324 nan 8.240 nan 0.000 0.532 110 G N 3.461 112.260 108.800 -0.001 0.000 2.639 110 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 110 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 110 G C 0.913 175.812 174.900 -0.001 0.000 1.267 110 G CA 0.912 46.011 45.100 -0.001 0.000 0.801 110 G HN 1.156 nan 8.290 nan 0.000 0.592 111 T N -0.962 113.593 114.554 0.000 0.000 2.916 111 T HA 0.129 4.479 4.350 -0.000 0.000 0.303 111 T C 0.992 175.690 174.700 -0.003 0.000 1.025 111 T CA 0.135 62.235 62.100 -0.000 0.000 1.142 111 T CB 1.067 69.936 68.868 0.001 0.000 0.947 111 T HN 0.143 nan 8.240 nan 0.000 0.544 112 N N 1.402 120.099 118.700 -0.004 0.000 2.609 112 N HA 0.049 4.788 4.740 -0.000 0.000 0.190 112 N C 1.040 176.546 175.510 -0.008 0.000 1.157 112 N CA 0.419 53.465 53.050 -0.006 0.000 0.918 112 N CB -0.070 38.414 38.487 -0.006 0.000 0.978 112 N HN 0.580 nan 8.380 nan 0.000 0.448 113 K N -1.602 118.794 120.400 -0.008 0.000 2.481 113 K HA 0.354 4.673 4.320 -0.000 0.000 0.210 113 K C 0.634 177.229 176.600 -0.010 0.000 1.161 113 K CA -0.066 56.214 56.287 -0.011 0.000 1.023 113 K CB 0.498 32.991 32.500 -0.012 0.000 0.971 113 K HN 0.081 nan 8.250 nan 0.000 0.577 114 G N 0.839 109.636 108.800 -0.005 0.000 2.570 114 G HA2 0.392 4.352 3.960 -0.000 0.000 0.276 114 G HA3 0.392 4.352 3.960 -0.000 0.000 0.276 114 G C 0.105 175.005 174.900 0.000 0.000 1.346 114 G CA -0.389 44.711 45.100 -0.001 0.000 1.034 114 G HN 0.247 nan 8.290 nan 0.000 0.512 115 I N -3.580 116.994 120.570 0.007 0.000 3.170 115 I HA 0.841 5.011 4.170 -0.000 0.000 0.312 115 I C -0.483 175.646 176.117 0.020 0.000 1.085 115 I CA -1.024 60.282 61.300 0.011 0.000 0.999 115 I CB 2.321 40.329 38.000 0.014 0.000 1.233 115 I HN 0.558 nan 8.210 nan 0.000 0.467 116 S N 1.461 117.177 115.700 0.027 0.000 2.536 116 S HA 0.578 5.048 4.470 -0.000 0.000 0.271 116 S C -2.412 172.224 174.600 0.059 0.000 1.134 116 S CA -1.119 57.102 58.200 0.035 0.000 0.897 116 S CB 2.198 65.411 63.200 0.022 0.000 1.094 116 S HN 0.657 nan 8.310 nan 0.000 0.473 117 P HA 0.108 nan 4.420 nan 0.000 0.241 117 P C 0.098 177.467 177.300 0.116 0.000 1.191 117 P CA 0.200 63.370 63.100 0.117 0.000 0.771 117 P CB -0.096 31.663 31.700 0.098 0.000 0.929 118 V N 4.728 124.688 119.914 0.076 0.000 2.450 118 V HA 0.082 4.202 4.120 -0.000 0.000 0.281 118 V C -1.661 174.482 176.094 0.081 0.000 1.019 118 V CA -1.127 61.215 62.300 0.070 0.000 1.062 118 V CB -0.100 31.746 31.823 0.037 0.000 0.979 118 V HN 0.151 nan 8.190 nan 0.000 0.477 119 P HA 0.346 nan 4.420 nan 0.000 0.274 119 P C -0.600 176.761 177.300 0.101 0.000 1.237 119 P CA -0.300 62.870 63.100 0.117 0.000 0.793 119 P CB 1.300 33.093 31.700 0.156 0.000 0.977 120 I N 1.943 122.583 120.570 0.116 0.000 2.378 120 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 120 I C 0.370 176.611 176.117 0.207 0.000 0.992 120 I CA -0.537 60.868 61.300 0.174 0.000 1.154 120 I CB 1.215 39.323 38.000 0.179 0.000 1.315 120 I HN 0.139 nan 8.210 nan 0.000 0.448 121 N N 7.252 126.106 118.700 0.257 0.000 2.621 121 N HA 0.303 5.042 4.740 -0.000 0.000 0.237 121 N C -1.233 174.331 175.510 0.090 0.000 0.997 121 N CA -0.516 52.629 53.050 0.158 0.000 0.918 121 N CB 2.173 40.747 38.487 0.146 0.000 1.122 121 N HN 0.288 nan 8.380 nan 0.000 0.510 122 L N 2.235 123.436 121.223 -0.037 0.000 2.296 122 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 122 L C -0.077 176.622 176.870 -0.284 0.000 1.023 122 L CA -0.505 54.141 54.840 -0.324 0.000 0.812 122 L CB 0.930 42.757 42.059 -0.387 0.000 1.223 122 L HN 0.358 nan 8.230 nan 0.000 0.421 123 R N 4.133 124.433 120.500 -0.333 0.000 2.445 123 R HA 0.785 5.124 4.340 -0.000 0.000 0.308 123 R C -1.822 174.236 176.300 -0.403 0.000 0.961 123 R CA -0.623 55.282 56.100 -0.326 0.000 0.862 123 R CB 1.605 31.752 30.300 -0.255 0.000 1.144 123 R HN 0.561 nan 8.270 nan 0.000 0.447 124 V N 5.245 124.896 119.914 -0.438 0.000 2.487 124 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 124 V C -1.167 174.646 176.094 -0.469 0.000 1.028 124 V CA -0.748 61.332 62.300 -0.367 0.000 0.860 124 V CB 1.517 33.189 31.823 -0.252 0.000 0.991 124 V HN 0.679 nan 8.190 nan 0.000 0.427 125 Y N 2.637 122.701 120.300 -0.392 0.000 2.328 125 Y HA 0.701 5.251 4.550 -0.000 0.000 0.337 125 Y C 0.533 176.324 175.900 -0.183 0.000 1.008 125 Y CA 0.050 57.937 58.100 -0.355 0.000 1.129 125 Y CB 2.047 40.110 38.460 -0.662 0.000 1.185 125 Y HN 0.657 nan 8.280 nan 0.000 0.476 126 S N 3.721 119.427 115.700 0.010 0.000 2.552 126 S HA 0.348 4.818 4.470 -0.000 0.000 0.272 126 S C -2.575 171.988 174.600 -0.061 0.000 1.150 126 S CA -1.289 56.910 58.200 -0.002 0.000 0.849 126 S CB 1.718 64.927 63.200 0.015 0.000 1.113 126 S HN 0.353 nan 8.310 nan 0.000 0.458 127 P HA 0.094 nan 4.420 nan 0.000 0.240 127 P C 0.566 177.758 177.300 -0.179 0.000 1.190 127 P CA 0.612 63.601 63.100 -0.184 0.000 0.781 127 P CB -0.133 31.422 31.700 -0.243 0.000 0.931 128 H N -0.096 118.972 119.070 -0.003 0.000 2.539 128 H HA 0.131 4.687 4.556 -0.000 0.000 0.267 128 H C 1.096 176.410 175.328 -0.023 0.000 0.982 128 H CA 0.308 56.350 56.048 -0.009 0.000 1.146 128 H CB 0.032 29.785 29.762 -0.016 0.000 1.382 128 H HN 0.116 nan 8.280 nan 0.000 0.577 129 V N -1.551 118.386 119.914 0.038 0.000 2.960 129 V HA 0.488 4.608 4.120 -0.000 0.000 0.315 129 V C -0.236 175.810 176.094 -0.080 0.000 1.087 129 V CA -1.178 61.100 62.300 -0.036 0.000 0.982 129 V CB 2.372 34.153 31.823 -0.069 0.000 1.039 129 V HN -0.184 nan 8.190 nan 0.000 0.437 130 L N 1.732 122.873 121.223 -0.137 0.000 2.400 130 L HA 0.563 4.902 4.340 -0.000 0.000 0.264 130 L C 0.372 177.153 176.870 -0.149 0.000 1.061 130 L CA -0.402 54.358 54.840 -0.133 0.000 0.799 130 L CB 0.611 42.574 42.059 -0.161 0.000 1.240 130 L HN 0.731 nan 8.230 nan 0.000 0.461 131 N N 1.586 120.211 118.700 -0.125 0.000 2.431 131 N HA 0.458 5.197 4.740 -0.000 0.000 0.265 131 N C -0.991 174.436 175.510 -0.139 0.000 1.184 131 N CA -0.009 52.967 53.050 -0.124 0.000 0.943 131 N CB 0.275 38.708 38.487 -0.090 0.000 1.080 131 N HN 0.397 nan 8.380 nan 0.000 0.477 132 L N 1.555 122.688 121.223 -0.150 0.000 2.612 132 L HA 0.512 4.852 4.340 -0.000 0.000 0.256 132 L C -1.201 175.599 176.870 -0.116 0.000 0.949 132 L CA -0.247 54.505 54.840 -0.147 0.000 0.867 132 L CB 2.049 43.970 42.059 -0.229 0.000 1.417 132 L HN 0.357 nan 8.230 nan 0.000 0.414 133 T N 4.821 119.329 114.554 -0.077 0.000 2.886 133 T HA 0.828 5.178 4.350 -0.000 0.000 0.292 133 T C -1.073 173.618 174.700 -0.015 0.000 1.012 133 T CA -0.398 61.675 62.100 -0.045 0.000 0.982 133 T CB 1.340 70.189 68.868 -0.033 0.000 1.018 133 T HN 0.578 nan 8.240 nan 0.000 0.451 134 L N 2.066 123.293 121.223 0.006 0.000 2.434 134 L HA 0.673 5.013 4.340 -0.000 0.000 0.260 134 L C -0.937 175.938 176.870 0.008 0.000 0.983 134 L CA -1.298 53.554 54.840 0.020 0.000 0.820 134 L CB 2.431 44.527 42.059 0.062 0.000 1.361 134 L HN 0.329 nan 8.230 nan 0.000 0.410 135 V N 0.916 120.817 119.914 -0.022 0.000 2.311 135 V HA 0.193 4.312 4.120 -0.000 0.000 0.275 135 V C -0.416 175.599 176.094 -0.132 0.000 1.022 135 V CA -0.413 61.843 62.300 -0.073 0.000 0.830 135 V CB 1.251 33.008 31.823 -0.110 0.000 1.012 135 V HN 0.625 nan 8.190 nan 0.000 0.452 136 D N 4.523 124.869 120.400 -0.090 0.000 2.350 136 D HA 0.508 5.148 4.640 -0.000 0.000 0.249 136 D C -0.463 175.739 176.300 -0.162 0.000 1.119 136 D CA 0.290 54.231 54.000 -0.098 0.000 0.886 136 D CB 0.919 41.692 40.800 -0.046 0.000 1.195 136 D HN 0.381 nan 8.370 nan 0.000 0.437 137 L N 3.551 124.671 121.223 -0.173 0.000 2.309 137 L HA 0.512 4.852 4.340 -0.000 0.000 0.261 137 L C -2.162 174.639 176.870 -0.114 0.000 1.021 137 L CA -2.431 52.292 54.840 -0.194 0.000 0.823 137 L CB 2.060 43.954 42.059 -0.275 0.000 1.366 137 L HN 0.288 nan 8.230 nan 0.000 0.423 138 P HA -0.001 nan 4.420 nan 0.000 0.264 138 P C -0.256 177.008 177.300 -0.060 0.000 1.183 138 P CA 0.057 63.121 63.100 -0.060 0.000 0.763 138 P CB 0.388 32.064 31.700 -0.040 0.000 0.807 139 G N 3.064 111.828 108.800 -0.059 0.000 2.503 139 G HA2 0.390 4.350 3.960 -0.000 0.000 0.257 139 G HA3 0.390 4.350 3.960 -0.000 0.000 0.257 139 G C -0.235 174.634 174.900 -0.053 0.000 1.214 139 G CA -0.632 44.433 45.100 -0.057 0.000 0.839 139 G HN 0.368 nan 8.290 nan 0.000 0.559 140 M N 0.961 120.531 119.600 -0.049 0.000 2.250 140 M HA 0.478 4.958 4.480 -0.000 0.000 0.344 140 M C 0.540 176.805 176.300 -0.059 0.000 1.150 140 M CA 0.098 55.366 55.300 -0.053 0.000 1.147 140 M CB 1.703 34.278 32.600 -0.041 0.000 1.498 140 M HN 0.724 nan 8.290 nan 0.000 0.461 141 T N -0.753 113.756 114.554 -0.076 0.000 2.830 141 T HA 0.430 4.780 4.350 -0.000 0.000 0.322 141 T C -0.294 174.342 174.700 -0.107 0.000 1.501 141 T CA -1.109 60.945 62.100 -0.077 0.000 1.036 141 T CB 1.644 70.470 68.868 -0.069 0.000 1.379 141 T HN 0.512 nan 8.240 nan 0.000 0.493 142 K N 0.842 121.186 120.400 -0.093 0.000 2.311 142 K HA 0.319 4.639 4.320 -0.000 0.000 0.206 142 K C 0.746 177.283 176.600 -0.106 0.000 1.056 142 K CA 0.310 56.531 56.287 -0.111 0.000 1.051 142 K CB -0.965 31.493 32.500 -0.070 0.000 1.299 142 K HN 0.607 nan 8.250 nan 0.000 0.461 143 V N 5.909 125.781 119.914 -0.070 0.000 2.832 143 V HA -0.097 4.023 4.120 -0.000 0.000 0.284 143 V C -1.365 174.694 176.094 -0.059 0.000 0.997 143 V CA -0.033 62.235 62.300 -0.054 0.000 1.196 143 V CB -0.790 31.010 31.823 -0.038 0.000 0.832 143 V HN 0.420 nan 8.190 nan 0.000 0.453 144 P HA -0.102 nan 4.420 nan 0.000 0.231 144 P C 0.833 178.111 177.300 -0.038 0.000 1.154 144 P CA 0.454 63.521 63.100 -0.056 0.000 0.762 144 P CB 0.003 31.676 31.700 -0.046 0.000 0.790 145 V N 0.077 119.971 119.914 -0.033 0.000 3.056 145 V HA -0.016 4.104 4.120 -0.000 0.000 0.256 145 V C 0.929 177.008 176.094 -0.025 0.000 0.952 145 V CA 1.445 63.730 62.300 -0.026 0.000 1.141 145 V CB -1.290 30.518 31.823 -0.025 0.000 0.814 145 V HN 0.448 nan 8.190 nan 0.000 0.463 146 G N 4.424 113.212 108.800 -0.021 0.000 3.454 146 G HA2 0.368 4.328 3.960 -0.000 0.000 0.162 146 G HA3 0.368 4.328 3.960 -0.000 0.000 0.162 146 G C -0.667 174.226 174.900 -0.013 0.000 1.223 146 G CA 0.340 45.429 45.100 -0.019 0.000 1.394 146 G HN 0.627 nan 8.290 nan 0.000 0.709 147 D N -0.980 119.414 120.400 -0.011 0.000 3.171 147 D HA 0.448 5.087 4.640 -0.000 0.000 0.240 147 D C -0.771 175.526 176.300 -0.004 0.000 1.432 147 D CA 0.012 54.008 54.000 -0.006 0.000 0.892 147 D CB 0.113 40.909 40.800 -0.006 0.000 1.499 147 D HN 0.516 nan 8.370 nan 0.000 0.597 148 Q N 0.247 120.046 119.800 -0.003 0.000 3.158 148 Q HA -0.048 4.292 4.340 -0.000 0.000 0.060 148 Q C -2.886 173.114 176.000 0.000 0.000 1.664 148 Q CA 0.020 55.824 55.803 0.002 0.000 0.269 148 Q CB -0.211 28.529 28.738 0.004 0.000 0.580 148 Q HN 0.313 nan 8.270 nan 0.000 0.322 149 P HA 0.431 nan 4.420 nan 0.000 0.289 149 P C -2.217 175.093 177.300 0.016 0.000 1.302 149 P CA -1.332 61.778 63.100 0.016 0.000 0.923 149 P CB 1.144 32.860 31.700 0.028 0.000 1.238 150 P HA -0.165 nan 4.420 nan 0.000 0.218 150 P C 0.451 177.784 177.300 0.055 0.000 1.149 150 P CA 1.619 64.740 63.100 0.035 0.000 0.817 150 P CB -0.108 31.622 31.700 0.049 0.000 0.785 151 D N -0.645 119.822 120.400 0.112 0.000 2.325 151 D HA -0.042 4.598 4.640 -0.000 0.000 0.234 151 D C 1.671 178.012 176.300 0.069 0.000 1.122 151 D CA -0.464 53.681 54.000 0.242 0.000 0.850 151 D CB -0.863 40.150 40.800 0.356 0.000 0.921 151 D HN 0.036 nan 8.370 nan 0.000 0.513 152 I N 1.948 122.504 120.570 -0.023 0.000 2.185 152 I HA -0.324 3.846 4.170 -0.000 0.000 0.246 152 I C 2.244 178.279 176.117 -0.138 0.000 1.088 152 I CA 1.774 63.041 61.300 -0.055 0.000 1.347 152 I CB -0.375 37.591 38.000 -0.057 0.000 1.041 152 I HN 0.210 nan 8.210 nan 0.000 0.415 153 E N -0.151 119.856 120.200 -0.321 0.000 2.118 153 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 153 E C 2.145 178.517 176.600 -0.380 0.000 0.992 153 E CA 1.905 58.050 56.400 -0.426 0.000 0.804 153 E CB -0.593 28.709 29.700 -0.663 0.000 0.741 153 E HN 0.586 nan 8.360 nan 0.000 0.458 154 F N 0.833 120.787 119.950 0.007 0.000 2.234 154 F HA -0.006 4.522 4.527 0.000 0.000 0.296 154 F C 2.701 178.509 175.800 0.014 0.000 1.089 154 F CA 0.768 58.774 58.000 0.010 0.000 1.343 154 F CB -0.240 38.765 39.000 0.008 0.000 1.040 154 F HN -0.003 nan 8.300 nan 0.000 0.498 155 Q N 0.645 120.535 119.800 0.151 0.000 2.050 155 Q HA -0.179 4.160 4.340 -0.000 0.000 0.202 155 Q C 2.335 178.375 176.000 0.066 0.000 0.980 155 Q CA 1.685 57.547 55.803 0.099 0.000 0.840 155 Q CB -0.272 28.506 28.738 0.067 0.000 0.898 155 Q HN 0.484 nan 8.270 nan 0.000 0.424 156 I N 0.254 120.840 120.570 0.026 0.000 2.142 156 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 156 I C 2.690 178.828 176.117 0.035 0.000 1.078 156 I CA 1.156 62.464 61.300 0.013 0.000 1.343 156 I CB -0.343 37.641 38.000 -0.027 0.000 1.046 156 I HN 0.176 nan 8.210 nan 0.000 0.405 157 R N 1.046 121.569 120.500 0.038 0.000 2.091 157 R HA -0.222 4.118 4.340 -0.000 0.000 0.238 157 R C 1.786 178.137 176.300 0.086 0.000 1.136 157 R CA 2.179 58.316 56.100 0.062 0.000 0.959 157 R CB -0.315 30.037 30.300 0.088 0.000 0.856 157 R HN 0.318 nan 8.270 nan 0.000 0.437 158 D N 0.483 120.944 120.400 0.102 0.000 2.117 158 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 158 D C 1.851 178.210 176.300 0.098 0.000 0.987 158 D CA 1.443 55.499 54.000 0.093 0.000 0.829 158 D CB -0.226 40.629 40.800 0.091 0.000 0.961 158 D HN 0.351 nan 8.370 nan 0.000 0.460 159 M N -0.075 119.590 119.600 0.109 0.000 2.099 159 M HA -0.166 4.313 4.480 -0.000 0.000 0.262 159 M C 1.706 178.146 176.300 0.234 0.000 1.067 159 M CA 1.041 56.438 55.300 0.162 0.000 1.124 159 M CB 0.041 32.726 32.600 0.141 0.000 1.353 159 M HN -0.059 nan 8.290 nan 0.000 0.410 160 L N 0.602 121.913 121.223 0.146 0.000 2.042 160 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 160 L C 2.446 179.419 176.870 0.172 0.000 1.076 160 L CA 1.741 56.662 54.840 0.135 0.000 0.749 160 L CB -0.932 41.159 42.059 0.054 0.000 0.893 160 L HN 0.403 nan 8.230 nan 0.000 0.432 161 M N -1.359 118.314 119.600 0.122 0.000 2.213 161 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 161 M C 2.212 178.563 176.300 0.086 0.000 1.062 161 M CA 1.379 56.734 55.300 0.092 0.000 1.105 161 M CB -1.046 31.593 32.600 0.064 0.000 1.385 161 M HN 0.397 nan 8.290 nan 0.000 0.417 162 Q N -0.883 118.971 119.800 0.089 0.000 2.135 162 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 162 Q C 1.907 177.852 176.000 -0.092 0.000 0.981 162 Q CA 1.449 57.240 55.803 -0.020 0.000 0.856 162 Q CB -0.167 28.532 28.738 -0.064 0.000 0.902 162 Q HN 0.405 nan 8.270 nan 0.000 0.425 163 F N -0.434 119.517 119.950 0.001 0.000 2.147 163 F HA -0.124 4.403 4.527 -0.000 0.000 0.291 163 F C 2.295 178.091 175.800 -0.007 0.000 1.093 163 F CA 0.995 58.993 58.000 -0.004 0.000 1.263 163 F CB -0.490 38.510 39.000 -0.001 0.000 1.036 163 F HN -0.064 nan 8.300 nan 0.000 0.481 164 V N -2.212 117.828 119.914 0.209 0.000 3.217 164 V HA -0.083 4.037 4.120 -0.000 0.000 0.264 164 V C 1.831 177.960 176.094 0.057 0.000 1.135 164 V CA 1.618 63.982 62.300 0.107 0.000 1.142 164 V CB -1.731 30.137 31.823 0.075 0.000 0.754 164 V HN 0.481 nan 8.190 nan 0.000 0.484 165 T N -2.050 112.531 114.554 0.045 0.000 3.085 165 T HA 0.069 4.419 4.350 -0.000 0.000 0.263 165 T C 0.832 175.537 174.700 0.009 0.000 1.127 165 T CA 0.280 62.393 62.100 0.021 0.000 1.103 165 T CB -0.467 68.408 68.868 0.011 0.000 0.921 165 T HN 0.583 nan 8.240 nan 0.000 0.510 166 K N 1.749 122.153 120.400 0.007 0.000 2.368 166 K HA 0.159 4.479 4.320 -0.000 0.000 0.282 166 K C 0.988 177.596 176.600 0.014 0.000 1.035 166 K CA -0.453 55.832 56.287 -0.004 0.000 0.973 166 K CB 0.797 33.281 32.500 -0.026 0.000 0.957 166 K HN 0.021 nan 8.250 nan 0.000 0.474 167 E N 1.748 121.955 120.200 0.012 0.000 2.118 167 E HA -0.186 4.163 4.350 -0.000 0.000 0.195 167 E C 0.647 177.285 176.600 0.065 0.000 0.992 167 E CA 1.311 57.727 56.400 0.027 0.000 0.804 167 E CB 0.017 29.728 29.700 0.020 0.000 0.741 167 E HN 0.476 nan 8.360 nan 0.000 0.458 168 N N -0.094 118.654 118.700 0.079 0.000 2.449 168 N HA -0.043 4.697 4.740 -0.000 0.000 0.191 168 N C -0.053 175.598 175.510 0.234 0.000 1.161 168 N CA 0.076 53.242 53.050 0.193 0.000 0.863 168 N CB -0.213 38.324 38.487 0.083 0.000 0.980 168 N HN 0.026 nan 8.380 nan 0.000 0.458 169 C N 2.171 121.530 119.300 0.099 0.000 2.303 169 C HA 0.378 4.838 4.460 -0.000 0.000 0.341 169 C C -0.079 174.901 174.990 -0.016 0.000 1.244 169 C CA -0.957 58.103 59.018 0.070 0.000 1.765 169 C CB -1.445 26.346 27.740 0.085 0.000 2.379 169 C HN 0.098 nan 8.230 nan 0.000 0.530 170 L N 7.085 128.257 121.223 -0.084 0.000 2.371 170 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 170 L C 0.323 177.147 176.870 -0.077 0.000 1.124 170 L CA 0.199 54.944 54.840 -0.158 0.000 0.816 170 L CB 1.060 42.980 42.059 -0.231 0.000 1.129 170 L HN 0.550 nan 8.230 nan 0.000 0.448 171 I N 4.224 124.747 120.570 -0.078 0.000 2.339 171 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 171 I C -0.587 175.490 176.117 -0.067 0.000 0.994 171 I CA -0.760 60.508 61.300 -0.055 0.000 1.191 171 I CB 1.539 39.513 38.000 -0.044 0.000 1.343 171 I HN 0.278 nan 8.210 nan 0.000 0.458 172 L N 7.403 128.595 121.223 -0.052 0.000 2.288 172 L HA 0.545 4.884 4.340 -0.000 0.000 0.283 172 L C 0.270 177.114 176.870 -0.043 0.000 1.072 172 L CA -0.106 54.705 54.840 -0.048 0.000 0.862 172 L CB 0.582 42.628 42.059 -0.021 0.000 1.245 172 L HN 0.674 nan 8.230 nan 0.000 0.432 173 A N 5.378 128.168 122.820 -0.051 0.000 2.279 173 A HA 0.625 4.945 4.320 -0.000 0.000 0.306 173 A C -0.581 176.997 177.584 -0.011 0.000 1.300 173 A CA -0.470 51.550 52.037 -0.030 0.000 0.925 173 A CB 0.299 19.283 19.000 -0.026 0.000 1.152 173 A HN 0.442 nan 8.150 nan 0.000 0.544 174 V N 2.916 122.823 119.914 -0.012 0.000 2.394 174 V HA 0.564 4.683 4.120 -0.000 0.000 0.282 174 V C 0.226 176.319 176.094 -0.000 0.000 1.031 174 V CA -0.167 62.127 62.300 -0.009 0.000 0.881 174 V CB 1.217 33.017 31.823 -0.037 0.000 0.982 174 V HN 0.869 nan 8.190 nan 0.000 0.451 175 S N 6.190 121.901 115.700 0.018 0.000 2.541 175 S HA 0.627 5.096 4.470 -0.000 0.000 0.280 175 S C -2.907 171.695 174.600 0.003 0.000 1.112 175 S CA -1.091 57.119 58.200 0.015 0.000 0.925 175 S CB 2.700 65.925 63.200 0.042 0.000 1.067 175 S HN 0.625 nan 8.310 nan 0.000 0.479 176 P HA 0.323 nan 4.420 nan 0.000 0.285 176 P C 0.085 177.379 177.300 -0.010 0.000 1.259 176 P CA -0.414 62.675 63.100 -0.019 0.000 0.794 176 P CB 1.178 32.862 31.700 -0.027 0.000 0.940 177 A N 3.884 126.697 122.820 -0.012 0.000 2.015 177 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 177 A C 1.190 178.779 177.584 0.007 0.000 1.163 177 A CA 0.987 53.025 52.037 0.001 0.000 0.646 177 A CB -1.056 17.949 19.000 0.008 0.000 0.806 177 A HN 0.691 nan 8.150 nan 0.000 0.448 178 N N 0.518 119.217 118.700 -0.001 0.000 3.052 178 N HA 0.132 4.871 4.740 -0.000 0.000 0.302 178 N C -0.288 175.221 175.510 -0.001 0.000 1.332 178 N CA 0.677 53.729 53.050 0.003 0.000 1.129 178 N CB -0.355 38.131 38.487 -0.002 0.000 1.436 178 N HN 0.401 nan 8.380 nan 0.000 0.536 179 S N -1.456 114.244 115.700 0.001 0.000 2.727 179 S HA 0.280 4.750 4.470 -0.000 0.000 0.278 179 S C -1.457 173.144 174.600 0.002 0.000 1.186 179 S CA -0.993 57.207 58.200 -0.001 0.000 0.836 179 S CB 1.291 64.488 63.200 -0.005 0.000 1.186 179 S HN 0.040 nan 8.310 nan 0.000 0.499 180 D N 0.717 121.118 120.400 0.001 0.000 2.393 180 D HA 0.319 4.958 4.640 -0.000 0.000 0.232 180 D C 1.033 177.335 176.300 0.002 0.000 1.192 180 D CA -0.438 53.563 54.000 0.002 0.000 0.882 180 D CB 0.073 40.875 40.800 0.003 0.000 1.038 180 D HN 0.534 nan 8.370 nan 0.000 0.499 181 L N 3.082 124.305 121.223 -0.001 0.000 2.191 181 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 181 L C 2.339 179.214 176.870 0.008 0.000 1.103 181 L CA 1.079 55.919 54.840 0.000 0.000 0.769 181 L CB -0.223 41.824 42.059 -0.020 0.000 0.908 181 L HN 0.441 nan 8.230 nan 0.000 0.438 182 A N -0.291 122.533 122.820 0.005 0.000 2.067 182 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 182 A C 1.823 179.416 177.584 0.015 0.000 1.158 182 A CA 1.619 53.663 52.037 0.012 0.000 0.661 182 A CB -0.462 18.543 19.000 0.009 0.000 0.801 182 A HN 0.421 nan 8.150 nan 0.000 0.452 183 N N -0.333 118.374 118.700 0.011 0.000 2.251 183 N HA 0.057 4.796 4.740 -0.000 0.000 0.217 183 N C 0.122 175.638 175.510 0.011 0.000 1.124 183 N CA 0.323 53.380 53.050 0.011 0.000 0.843 183 N CB -0.191 38.300 38.487 0.007 0.000 1.024 183 N HN 0.191 nan 8.380 nan 0.000 0.501 184 S N -0.154 115.556 115.700 0.016 0.000 2.515 184 S HA -0.003 4.467 4.470 -0.000 0.000 0.285 184 S C 0.926 175.534 174.600 0.014 0.000 1.265 184 S CA -0.321 57.888 58.200 0.016 0.000 1.079 184 S CB 0.331 63.549 63.200 0.031 0.000 0.877 184 S HN 0.218 nan 8.310 nan 0.000 0.493 185 D N 4.744 125.147 120.400 0.004 0.000 2.149 185 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 185 D C 2.068 178.371 176.300 0.005 0.000 0.990 185 D CA 1.592 55.593 54.000 0.002 0.000 0.839 185 D CB -0.346 40.448 40.800 -0.010 0.000 0.948 185 D HN 0.703 nan 8.370 nan 0.000 0.460 186 A N 0.917 123.740 122.820 0.005 0.000 1.898 186 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 186 A C 2.410 180.002 177.584 0.014 0.000 1.181 186 A CA 0.697 52.737 52.037 0.004 0.000 0.620 186 A CB -0.693 18.307 19.000 -0.000 0.000 0.819 186 A HN 0.161 nan 8.150 nan 0.000 0.442 187 L N -0.831 120.410 121.223 0.030 0.000 2.141 187 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 187 L C 2.516 179.406 176.870 0.032 0.000 1.094 187 L CA 1.289 56.154 54.840 0.043 0.000 0.763 187 L CB -0.384 41.723 42.059 0.079 0.000 0.908 187 L HN 0.358 nan 8.230 nan 0.000 0.437 188 K N 0.197 120.613 120.400 0.027 0.000 2.062 188 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 188 K C 2.114 178.727 176.600 0.021 0.000 1.051 188 K CA 1.209 57.510 56.287 0.024 0.000 0.941 188 K CB -0.077 32.436 32.500 0.022 0.000 0.719 188 K HN 0.218 nan 8.250 nan 0.000 0.440 189 I N 0.790 121.371 120.570 0.019 0.000 2.394 189 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 189 I C 2.104 178.231 176.117 0.016 0.000 1.136 189 I CA 0.751 62.063 61.300 0.020 0.000 1.425 189 I CB -0.015 37.997 38.000 0.019 0.000 1.079 189 I HN 0.099 nan 8.210 nan 0.000 0.425 190 A N 0.391 123.217 122.820 0.011 0.000 1.930 190 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 190 A C 2.217 179.804 177.584 0.006 0.000 1.175 190 A CA 1.217 53.256 52.037 0.003 0.000 0.627 190 A CB -0.364 18.631 19.000 -0.009 0.000 0.815 190 A HN 0.222 nan 8.150 nan 0.000 0.443 191 K N 0.213 120.621 120.400 0.013 0.000 2.211 191 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 191 K C 1.727 178.336 176.600 0.015 0.000 1.050 191 K CA 1.302 57.599 56.287 0.015 0.000 0.945 191 K CB -0.319 32.194 32.500 0.022 0.000 0.732 191 K HN 0.713 nan 8.250 nan 0.000 0.451 192 E N 0.324 120.535 120.200 0.017 0.000 2.110 192 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 192 E C 1.800 178.409 176.600 0.015 0.000 0.988 192 E CA 1.588 57.999 56.400 0.018 0.000 0.804 192 E CB 0.090 29.804 29.700 0.022 0.000 0.745 192 E HN 0.206 nan 8.360 nan 0.000 0.458 193 V N -1.726 118.197 119.914 0.014 0.000 3.565 193 V HA 0.109 4.228 4.120 -0.000 0.000 0.260 193 V C 0.427 176.524 176.094 0.006 0.000 1.231 193 V CA 0.518 62.825 62.300 0.012 0.000 1.100 193 V CB 0.484 32.317 31.823 0.016 0.000 0.807 193 V HN -0.019 nan 8.190 nan 0.000 0.454 194 D N 0.369 120.771 120.400 0.003 0.000 2.513 194 D HA 0.411 5.050 4.640 -0.000 0.000 0.295 194 D C -1.866 174.434 176.300 -0.000 0.000 1.202 194 D CA -1.884 52.114 54.000 -0.003 0.000 0.849 194 D CB 1.480 42.271 40.800 -0.014 0.000 1.116 194 D HN 0.118 nan 8.370 nan 0.000 0.502 195 P HA -0.155 nan 4.420 nan 0.000 0.216 195 P C 1.086 178.391 177.300 0.008 0.000 1.150 195 P CA 1.055 64.160 63.100 0.008 0.000 0.843 195 P CB 0.291 31.996 31.700 0.008 0.000 0.787 196 Q N -1.506 118.296 119.800 0.004 0.000 2.444 196 Q HA 0.176 4.516 4.340 -0.000 0.000 0.206 196 Q C 1.224 177.224 176.000 -0.000 0.000 0.948 196 Q CA 0.745 56.550 55.803 0.004 0.000 0.946 196 Q CB -0.871 27.868 28.738 0.002 0.000 1.027 196 Q HN 0.251 nan 8.270 nan 0.000 0.513 197 G N 1.873 110.669 108.800 -0.006 0.000 2.323 197 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.292 197 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.292 197 G C 0.515 175.396 174.900 -0.031 0.000 1.040 197 G CA 0.693 45.783 45.100 -0.018 0.000 0.942 197 G HN 0.460 nan 8.290 nan 0.000 0.506 198 Q N -1.281 118.499 119.800 -0.032 0.000 2.352 198 Q HA 0.112 4.452 4.340 -0.000 0.000 0.212 198 Q C 2.006 177.969 176.000 -0.062 0.000 0.888 198 Q CA 0.739 56.520 55.803 -0.038 0.000 0.934 198 Q CB 0.453 29.178 28.738 -0.022 0.000 1.093 198 Q HN 0.798 nan 8.270 nan 0.000 0.523 199 R N -0.546 119.911 120.500 -0.071 0.000 2.698 199 R HA 0.320 4.660 4.340 -0.000 0.000 0.422 199 R C -0.781 175.454 176.300 -0.109 0.000 1.073 199 R CA -0.211 55.825 56.100 -0.106 0.000 1.054 199 R CB 0.550 30.787 30.300 -0.104 0.000 1.373 199 R HN -0.233 nan 8.270 nan 0.000 0.593 200 T N 1.908 116.398 114.554 -0.108 0.000 2.812 200 T HA 0.489 4.839 4.350 -0.000 0.000 0.282 200 T C -0.359 174.240 174.700 -0.168 0.000 0.990 200 T CA -0.423 61.607 62.100 -0.118 0.000 0.960 200 T CB 1.742 70.550 68.868 -0.099 0.000 0.948 200 T HN 0.172 nan 8.240 nan 0.000 0.438 201 I N 2.518 122.987 120.570 -0.167 0.000 2.354 201 I HA 0.505 4.674 4.170 -0.000 0.000 0.292 201 I C 0.926 176.902 176.117 -0.235 0.000 0.989 201 I CA -0.771 60.408 61.300 -0.201 0.000 1.188 201 I CB 1.548 39.465 38.000 -0.137 0.000 1.342 201 I HN 0.681 nan 8.210 nan 0.000 0.457 202 G N 5.506 114.051 108.800 -0.424 0.000 2.356 202 G HA2 0.559 4.518 3.960 -0.000 0.000 0.298 202 G HA3 0.559 4.518 3.960 -0.000 0.000 0.298 202 G C -0.780 174.085 174.900 -0.058 0.000 1.145 202 G CA -0.262 44.627 45.100 -0.351 0.000 0.850 202 G HN 0.354 nan 8.290 nan 0.000 0.487 203 V N 3.738 123.679 119.914 0.045 0.000 2.487 203 V HA 0.365 4.484 4.120 -0.000 0.000 0.298 203 V C -0.587 175.563 176.094 0.093 0.000 1.028 203 V CA -0.838 61.503 62.300 0.068 0.000 0.860 203 V CB 1.673 33.509 31.823 0.021 0.000 0.991 203 V HN 0.550 nan 8.190 nan 0.000 0.427 204 I N 4.685 125.311 120.570 0.093 0.000 2.355 204 I HA 0.438 4.607 4.170 -0.000 0.000 0.288 204 I C 0.649 176.778 176.117 0.019 0.000 0.999 204 I CA -0.020 61.313 61.300 0.055 0.000 1.163 204 I CB 1.699 39.722 38.000 0.038 0.000 1.316 204 I HN 0.776 nan 8.210 nan 0.000 0.454 205 T N 2.109 116.658 114.554 -0.009 0.000 2.910 205 T HA 0.472 4.822 4.350 -0.000 0.000 0.279 205 T C 0.431 175.094 174.700 -0.062 0.000 0.989 205 T CA -0.720 61.355 62.100 -0.040 0.000 0.968 205 T CB 1.361 70.194 68.868 -0.059 0.000 1.135 205 T HN 0.586 nan 8.240 nan 0.000 0.562 206 K N -0.228 120.110 120.400 -0.104 0.000 3.088 206 K HA -0.165 4.154 4.320 -0.000 0.000 0.273 206 K C 1.087 177.610 176.600 -0.128 0.000 1.111 206 K CA 0.515 56.728 56.287 -0.124 0.000 0.803 206 K CB -2.044 30.409 32.500 -0.079 0.000 1.226 206 K HN 0.562 nan 8.250 nan 0.000 0.485 207 L N 0.922 122.045 121.223 -0.167 0.000 2.127 207 L HA -0.215 4.124 4.340 -0.000 0.000 0.211 207 L C 2.227 179.047 176.870 -0.083 0.000 1.089 207 L CA 1.864 56.647 54.840 -0.095 0.000 0.757 207 L CB -0.376 41.627 42.059 -0.094 0.000 0.899 207 L HN 0.374 nan 8.230 nan 0.000 0.434 208 D N -0.238 119.909 120.400 -0.422 0.000 2.363 208 D HA -0.138 4.502 4.640 -0.000 0.000 0.220 208 D C 1.689 177.961 176.300 -0.048 0.000 0.994 208 D CA 0.749 54.568 54.000 -0.302 0.000 0.890 208 D CB -0.144 40.269 40.800 -0.644 0.000 0.906 208 D HN 0.366 nan 8.370 nan 0.000 0.530 209 L N -0.623 120.567 121.223 -0.054 0.000 2.607 209 L HA 0.251 4.591 4.340 -0.000 0.000 0.228 209 L C 1.035 177.919 176.870 0.023 0.000 1.123 209 L CA -0.245 54.585 54.840 -0.017 0.000 0.890 209 L CB -0.199 41.835 42.059 -0.042 0.000 1.103 209 L HN -0.133 nan 8.230 nan 0.000 0.468 210 M N 0.084 119.722 119.600 0.062 0.000 2.245 210 M HA 0.052 4.532 4.480 -0.000 0.000 0.330 210 M C 0.027 176.370 176.300 0.072 0.000 1.098 210 M CA -0.058 55.286 55.300 0.074 0.000 1.172 210 M CB 0.380 33.050 32.600 0.116 0.000 1.467 210 M HN -0.034 nan 8.290 nan 0.000 0.454 211 D N 2.156 122.587 120.400 0.052 0.000 2.449 211 D HA 0.014 4.654 4.640 -0.000 0.000 0.236 211 D C -0.336 175.994 176.300 0.049 0.000 1.149 211 D CA 0.384 54.409 54.000 0.041 0.000 0.878 211 D CB 0.452 41.269 40.800 0.029 0.000 1.198 211 D HN 0.401 nan 8.370 nan 0.000 0.446 212 E N -0.073 120.148 120.200 0.034 0.000 2.529 212 E HA 0.291 4.640 4.350 -0.000 0.000 0.259 212 E C 1.348 177.960 176.600 0.020 0.000 0.966 212 E CA 0.890 57.306 56.400 0.025 0.000 0.937 212 E CB 0.037 29.743 29.700 0.010 0.000 0.923 212 E HN 0.651 nan 8.360 nan 0.000 0.468 213 G N 2.224 111.032 108.800 0.014 0.000 2.159 213 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 213 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 213 G C 0.398 175.312 174.900 0.023 0.000 0.977 213 G CA 0.530 45.633 45.100 0.006 0.000 0.652 213 G HN 0.861 nan 8.290 nan 0.000 0.531 214 T N -1.893 112.691 114.554 0.050 0.000 2.926 214 T HA 0.770 5.120 4.350 -0.000 0.000 0.289 214 T C -0.832 173.927 174.700 0.099 0.000 1.054 214 T CA 0.343 62.479 62.100 0.059 0.000 1.015 214 T CB 3.005 71.905 68.868 0.053 0.000 1.167 214 T HN 1.009 nan 8.240 nan 0.000 0.526 215 D N -1.055 119.405 120.400 0.100 0.000 2.671 215 D HA 0.523 5.163 4.640 -0.000 0.000 0.273 215 D C -0.492 175.908 176.300 0.167 0.000 1.264 215 D CA -0.751 53.338 54.000 0.148 0.000 0.788 215 D CB 0.851 41.681 40.800 0.050 0.000 1.324 215 D HN 0.777 nan 8.370 nan 0.000 0.424 216 A N 0.061 123.047 122.820 0.277 0.000 2.610 216 A HA 0.234 4.554 4.320 -0.000 0.000 0.286 216 A C 1.633 179.323 177.584 0.177 0.000 1.306 216 A CA -0.177 51.955 52.037 0.158 0.000 0.942 216 A CB -0.546 18.500 19.000 0.075 0.000 1.112 216 A HN 0.515 nan 8.150 nan 0.000 0.527 217 R N 0.484 121.147 120.500 0.272 0.000 2.103 217 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 217 R C 0.891 177.259 176.300 0.114 0.000 1.142 217 R CA 2.220 58.470 56.100 0.249 0.000 0.960 217 R CB -0.137 30.292 30.300 0.214 0.000 0.858 217 R HN 0.464 nan 8.270 nan 0.000 0.439 218 D N -0.324 120.112 120.400 0.061 0.000 2.144 218 D HA -0.119 4.520 4.640 -0.000 0.000 0.199 218 D C 1.913 178.183 176.300 -0.050 0.000 0.984 218 D CA 1.167 55.177 54.000 0.016 0.000 0.834 218 D CB -0.017 40.787 40.800 0.007 0.000 0.955 218 D HN 0.158 nan 8.370 nan 0.000 0.465 219 V N 1.011 120.857 119.914 -0.112 0.000 2.407 219 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 219 V C 2.625 178.521 176.094 -0.329 0.000 1.041 219 V CA 0.823 62.932 62.300 -0.317 0.000 1.040 219 V CB -0.374 31.215 31.823 -0.389 0.000 0.671 219 V HN 0.158 nan 8.190 nan 0.000 0.455 220 L N -0.205 120.931 121.223 -0.145 0.000 2.131 220 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 220 L C 2.261 179.137 176.870 0.010 0.000 1.092 220 L CA 1.468 56.273 54.840 -0.057 0.000 0.759 220 L CB -0.471 41.554 42.059 -0.057 0.000 0.903 220 L HN 0.387 nan 8.230 nan 0.000 0.435 221 E N -0.101 120.112 120.200 0.022 0.000 2.502 221 E HA -0.081 4.268 4.350 -0.000 0.000 0.194 221 E C 0.136 176.774 176.600 0.062 0.000 1.062 221 E CA -0.127 56.305 56.400 0.055 0.000 0.867 221 E CB 0.002 29.753 29.700 0.085 0.000 0.888 221 E HN 0.381 nan 8.360 nan 0.000 0.510 222 N N 0.380 119.117 118.700 0.060 0.000 2.780 222 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 222 N C 0.497 176.052 175.510 0.074 0.000 1.102 222 N CA 0.062 53.187 53.050 0.125 0.000 0.697 222 N CB -0.126 38.458 38.487 0.162 0.000 1.028 222 N HN -0.000 nan 8.380 nan 0.000 0.554 223 K N -0.286 120.130 120.400 0.025 0.000 2.367 223 K HA 0.132 4.452 4.320 -0.000 0.000 0.198 223 K C 1.594 178.201 176.600 0.011 0.000 1.132 223 K CA 0.102 56.404 56.287 0.025 0.000 0.941 223 K CB -0.234 32.281 32.500 0.024 0.000 1.052 223 K HN 0.220 nan 8.250 nan 0.000 0.507 224 L N 0.613 121.824 121.223 -0.020 0.000 2.068 224 L HA 0.119 4.459 4.340 -0.000 0.000 0.204 224 L C 0.744 177.609 176.870 -0.008 0.000 1.076 224 L CA 1.640 56.466 54.840 -0.023 0.000 0.753 224 L CB 0.078 42.107 42.059 -0.049 0.000 0.910 224 L HN -0.005 nan 8.230 nan 0.000 0.439 225 L N 0.606 121.820 121.223 -0.015 0.000 2.839 225 L HA 0.360 4.700 4.340 -0.000 0.000 0.259 225 L C -2.210 174.778 176.870 0.198 0.000 1.369 225 L CA -1.749 53.131 54.840 0.065 0.000 0.845 225 L CB 0.292 42.383 42.059 0.053 0.000 1.181 225 L HN -0.010 nan 8.230 nan 0.000 0.529 226 P HA -0.044 nan 4.420 nan 0.000 0.259 226 P C -0.754 176.636 177.300 0.151 0.000 1.155 226 P CA 0.934 64.132 63.100 0.164 0.000 0.759 226 P CB 0.418 32.171 31.700 0.088 0.000 0.753 227 L N 3.041 124.341 121.223 0.128 0.000 2.436 227 L HA 0.417 4.756 4.340 -0.000 0.000 0.268 227 L C 1.690 178.549 176.870 -0.018 0.000 0.974 227 L CA -0.826 54.011 54.840 -0.007 0.000 0.826 227 L CB 2.292 44.234 42.059 -0.195 0.000 1.291 227 L HN 0.258 nan 8.230 nan 0.000 0.406 228 R N 1.621 122.106 120.500 -0.025 0.000 2.103 228 R HA -0.109 4.230 4.340 -0.000 0.000 0.242 228 R C 1.425 177.704 176.300 -0.034 0.000 1.142 228 R CA 1.861 57.949 56.100 -0.019 0.000 0.960 228 R CB 0.114 30.402 30.300 -0.021 0.000 0.858 228 R HN 0.536 nan 8.270 nan 0.000 0.439 229 R N -0.120 120.336 120.500 -0.073 0.000 2.310 229 R HA 0.176 4.516 4.340 -0.000 0.000 0.202 229 R C 0.597 176.841 176.300 -0.093 0.000 0.933 229 R CA 0.314 56.364 56.100 -0.083 0.000 1.054 229 R CB 0.595 30.829 30.300 -0.109 0.000 0.985 229 R HN 0.467 nan 8.270 nan 0.000 0.489 230 G N 0.245 108.985 108.800 -0.100 0.000 2.782 230 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.228 230 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.228 230 G C -1.064 173.700 174.900 -0.226 0.000 1.372 230 G CA -0.693 44.371 45.100 -0.059 0.000 0.862 230 G HN 0.203 nan 8.290 nan 0.000 0.547 231 Y N -1.298 119.009 120.300 0.011 0.000 2.499 231 Y HA 0.732 5.282 4.550 -0.000 0.000 0.347 231 Y C 0.439 176.345 175.900 0.010 0.000 0.987 231 Y CA -0.770 57.333 58.100 0.004 0.000 1.044 231 Y CB 2.105 40.562 38.460 -0.005 0.000 1.245 231 Y HN 0.589 nan 8.280 nan 0.000 0.461 232 I N 1.615 122.275 120.570 0.149 0.000 2.533 232 I HA 0.582 4.752 4.170 -0.000 0.000 0.290 232 I C 0.203 176.355 176.117 0.059 0.000 1.056 232 I CA -0.437 60.922 61.300 0.097 0.000 1.057 232 I CB 2.121 40.193 38.000 0.120 0.000 1.240 232 I HN 0.701 nan 8.210 nan 0.000 0.423 233 G N 4.666 113.449 108.800 -0.028 0.000 2.389 233 G HA2 0.705 4.664 3.960 -0.000 0.000 0.317 233 G HA3 0.705 4.664 3.960 -0.000 0.000 0.317 233 G C -0.649 174.322 174.900 0.119 0.000 1.137 233 G CA -0.503 44.613 45.100 0.026 0.000 0.870 233 G HN 0.680 nan 8.290 nan 0.000 0.496 234 V N -0.914 119.125 119.914 0.208 0.000 3.159 234 V HA 0.884 5.004 4.120 -0.000 0.000 0.308 234 V C -0.323 175.827 176.094 0.093 0.000 1.190 234 V CA -0.976 61.461 62.300 0.228 0.000 1.037 234 V CB 1.435 33.302 31.823 0.073 0.000 1.060 234 V HN 1.344 nan 8.190 nan 0.000 0.437 235 V N -0.835 119.081 119.914 0.002 0.000 2.888 235 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 235 V C -0.886 175.122 176.094 -0.144 0.000 1.114 235 V CA -0.607 61.562 62.300 -0.218 0.000 0.940 235 V CB 1.792 33.270 31.823 -0.575 0.000 1.021 235 V HN 1.079 nan 8.190 nan 0.000 0.426 236 N N 2.679 121.284 118.700 -0.158 0.000 2.699 236 N HA 0.387 5.127 4.740 -0.000 0.000 0.232 236 N C -0.306 175.132 175.510 -0.120 0.000 1.027 236 N CA -0.348 52.631 53.050 -0.118 0.000 0.920 236 N CB 0.616 39.035 38.487 -0.112 0.000 1.148 236 N HN 0.724 nan 8.380 nan 0.000 0.509 237 R N 1.920 122.359 120.500 -0.102 0.000 3.070 237 R HA 0.137 4.477 4.340 -0.000 0.000 0.252 237 R C -0.224 176.044 176.300 -0.054 0.000 1.370 237 R CA -0.323 55.726 56.100 -0.084 0.000 1.482 237 R CB 0.333 30.588 30.300 -0.076 0.000 1.220 237 R HN 0.410 nan 8.270 nan 0.000 0.622 238 S N 2.227 117.893 115.700 -0.056 0.000 2.546 238 S HA -0.023 4.447 4.470 -0.000 0.000 0.290 238 S C -0.080 174.501 174.600 -0.031 0.000 1.262 238 S CA 0.052 58.225 58.200 -0.045 0.000 1.083 238 S CB 0.402 63.573 63.200 -0.048 0.000 0.859 238 S HN 0.311 nan 8.310 nan 0.000 0.495 239 Q N 3.636 123.420 119.800 -0.026 0.000 2.353 239 Q HA 0.509 4.848 4.340 -0.000 0.000 0.268 239 Q C -0.731 175.260 176.000 -0.015 0.000 1.045 239 Q CA -0.863 54.931 55.803 -0.016 0.000 0.811 239 Q CB 1.851 30.583 28.738 -0.010 0.000 1.305 239 Q HN 0.593 nan 8.270 nan 0.000 0.447 240 K N 1.734 122.129 120.400 -0.008 0.000 2.259 240 K HA 0.342 4.661 4.320 -0.000 0.000 0.249 240 K C -0.284 176.318 176.600 0.003 0.000 0.942 240 K CA -0.626 55.659 56.287 -0.003 0.000 0.816 240 K CB 1.677 34.176 32.500 -0.001 0.000 1.155 240 K HN 0.665 nan 8.250 nan 0.000 0.428 241 D N 0.877 121.281 120.400 0.008 0.000 2.478 241 D HA 0.095 4.735 4.640 -0.000 0.000 0.269 241 D C 1.498 177.807 176.300 0.015 0.000 1.232 241 D CA -0.609 53.399 54.000 0.013 0.000 1.059 241 D CB 0.532 41.343 40.800 0.019 0.000 1.104 241 D HN 0.175 nan 8.370 nan 0.000 0.566 242 I N 0.237 120.817 120.570 0.018 0.000 2.181 242 I HA -0.329 3.841 4.170 -0.000 0.000 0.247 242 I C 2.131 178.259 176.117 0.019 0.000 1.081 242 I CA 2.421 63.731 61.300 0.017 0.000 1.340 242 I CB -1.861 36.151 38.000 0.019 0.000 1.036 242 I HN 0.734 nan 8.210 nan 0.000 0.417 243 D N -0.578 119.836 120.400 0.023 0.000 2.363 243 D HA 0.303 4.943 4.640 -0.000 0.000 0.226 243 D C 1.858 178.172 176.300 0.023 0.000 1.020 243 D CA 0.962 54.977 54.000 0.025 0.000 0.892 243 D CB -0.228 40.591 40.800 0.032 0.000 0.900 243 D HN 0.571 nan 8.370 nan 0.000 0.531 244 G N -0.524 108.287 108.800 0.019 0.000 2.141 244 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.242 244 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.242 244 G C 0.306 175.216 174.900 0.017 0.000 0.982 244 G CA 0.487 45.597 45.100 0.016 0.000 0.662 244 G HN 0.645 nan 8.290 nan 0.000 0.527 245 K N 0.058 120.471 120.400 0.022 0.000 2.118 245 K HA 0.626 4.946 4.320 -0.000 0.000 0.254 245 K C 0.420 177.027 176.600 0.011 0.000 0.961 245 K CA -0.984 55.317 56.287 0.024 0.000 0.876 245 K CB 1.065 33.590 32.500 0.041 0.000 1.077 245 K HN 0.193 nan 8.250 nan 0.000 0.440 246 K N 1.753 122.154 120.400 0.002 0.000 2.477 246 K HA -0.143 4.177 4.320 -0.000 0.000 0.275 246 K C -0.689 175.894 176.600 -0.029 0.000 1.054 246 K CA 0.759 57.033 56.287 -0.021 0.000 1.135 246 K CB 0.038 32.518 32.500 -0.032 0.000 0.854 246 K HN 0.444 nan 8.250 nan 0.000 0.484 247 D N 5.301 125.681 120.400 -0.033 0.000 2.479 247 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 247 D C 0.583 176.848 176.300 -0.057 0.000 1.119 247 D CA -0.533 53.447 54.000 -0.033 0.000 0.922 247 D CB 0.298 41.091 40.800 -0.012 0.000 1.014 247 D HN 0.564 nan 8.370 nan 0.000 0.510 248 I N 2.562 123.066 120.570 -0.111 0.000 2.286 248 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 248 I C 1.836 177.902 176.117 -0.084 0.000 1.115 248 I CA 1.615 62.831 61.300 -0.139 0.000 1.392 248 I CB -0.155 37.666 38.000 -0.299 0.000 1.065 248 I HN 0.296 nan 8.210 nan 0.000 0.418 249 T N 0.738 115.256 114.554 -0.059 0.000 2.746 249 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 249 T C 1.948 176.653 174.700 0.008 0.000 1.039 249 T CA 1.472 63.569 62.100 -0.004 0.000 1.142 249 T CB -0.559 68.325 68.868 0.027 0.000 0.866 249 T HN 0.495 nan 8.240 nan 0.000 0.444 250 A N 1.309 124.130 122.820 0.002 0.000 1.930 250 A HA 0.270 4.590 4.320 -0.000 0.000 0.217 250 A C 2.640 180.229 177.584 0.008 0.000 1.175 250 A CA 1.616 53.659 52.037 0.010 0.000 0.627 250 A CB -1.027 17.977 19.000 0.007 0.000 0.815 250 A HN 0.490 nan 8.150 nan 0.000 0.443 251 A N -0.107 122.708 122.820 -0.007 0.000 1.902 251 A HA -0.049 4.270 4.320 -0.000 0.000 0.217 251 A C 2.120 179.712 177.584 0.014 0.000 1.181 251 A CA 1.497 53.529 52.037 -0.009 0.000 0.623 251 A CB -0.582 18.399 19.000 -0.031 0.000 0.818 251 A HN 0.472 nan 8.150 nan 0.000 0.443 252 L N -1.075 120.161 121.223 0.021 0.000 2.217 252 L HA -0.126 4.213 4.340 -0.000 0.000 0.211 252 L C 3.004 179.919 176.870 0.077 0.000 1.107 252 L CA 0.819 55.691 54.840 0.055 0.000 0.783 252 L CB -0.504 41.586 42.059 0.052 0.000 0.919 252 L HN 0.454 nan 8.230 nan 0.000 0.442 253 A N 0.175 123.031 122.820 0.060 0.000 1.897 253 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 253 A C 2.554 180.187 177.584 0.080 0.000 1.181 253 A CA 1.394 53.472 52.037 0.068 0.000 0.620 253 A CB -0.540 18.491 19.000 0.051 0.000 0.821 253 A HN 0.350 nan 8.150 nan 0.000 0.443 254 A N -0.021 122.837 122.820 0.063 0.000 1.933 254 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 254 A C 2.038 179.682 177.584 0.101 0.000 1.175 254 A CA 1.851 53.928 52.037 0.066 0.000 0.628 254 A CB -0.520 18.499 19.000 0.032 0.000 0.814 254 A HN 0.709 nan 8.150 nan 0.000 0.444 255 E N -0.560 119.702 120.200 0.104 0.000 2.106 255 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 255 E C 2.186 178.974 176.600 0.314 0.000 0.984 255 E CA 1.245 57.741 56.400 0.160 0.000 0.806 255 E CB -0.105 29.698 29.700 0.172 0.000 0.750 255 E HN 0.416 nan 8.360 nan 0.000 0.458 256 R N 1.272 121.922 120.500 0.251 0.000 2.081 256 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 256 R C 2.080 178.519 176.300 0.232 0.000 1.131 256 R CA 1.882 58.138 56.100 0.260 0.000 0.960 256 R CB -0.335 30.060 30.300 0.159 0.000 0.856 256 R HN -0.029 nan 8.270 nan 0.000 0.436 257 K N -0.544 119.958 120.400 0.169 0.000 2.063 257 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 257 K C 1.809 178.489 176.600 0.133 0.000 1.048 257 K CA 1.729 58.092 56.287 0.126 0.000 0.928 257 K CB -0.616 31.944 32.500 0.100 0.000 0.713 257 K HN 0.221 nan 8.250 nan 0.000 0.442 258 F N -0.172 119.778 119.950 0.000 0.000 2.069 258 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 258 F C 1.595 177.362 175.800 -0.054 0.000 1.113 258 F CA 1.659 59.605 58.000 -0.091 0.000 1.214 258 F CB -0.373 38.459 39.000 -0.281 0.000 0.978 258 F HN 0.012 nan 8.300 nan 0.000 0.474 259 F N 0.110 120.157 119.950 0.161 0.000 2.186 259 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 259 F C 2.238 178.050 175.800 0.020 0.000 1.090 259 F CA 1.002 59.047 58.000 0.074 0.000 1.307 259 F CB -0.604 38.472 39.000 0.128 0.000 1.019 259 F HN -0.068 nan 8.300 nan 0.000 0.489 260 L N -1.015 120.324 121.223 0.195 0.000 2.141 260 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 260 L C 1.961 178.857 176.870 0.042 0.000 1.094 260 L CA 1.120 56.025 54.840 0.109 0.000 0.763 260 L CB -0.535 41.578 42.059 0.089 0.000 0.908 260 L HN 0.055 nan 8.230 nan 0.000 0.437 261 S N -2.936 112.755 115.700 -0.016 0.000 2.535 261 S HA 0.028 4.498 4.470 -0.000 0.000 0.214 261 S C 0.626 175.139 174.600 -0.145 0.000 0.980 261 S CA -0.248 57.910 58.200 -0.070 0.000 0.907 261 S CB -0.154 63.005 63.200 -0.069 0.000 0.790 261 S HN 0.314 nan 8.310 nan 0.000 0.510 262 H N 3.931 122.820 119.070 -0.301 0.000 2.668 262 H HA 0.175 4.731 4.556 -0.000 0.000 0.303 262 H C -1.891 173.287 175.328 -0.250 0.000 1.074 262 H CA -1.709 54.107 56.048 -0.386 0.000 1.406 262 H CB 1.528 30.903 29.762 -0.644 0.000 1.442 262 H HN 0.014 nan 8.280 nan 0.000 0.482 263 P HA -0.091 nan 4.420 nan 0.000 0.222 263 P C 1.015 178.314 177.300 -0.002 0.000 1.147 263 P CA 0.744 63.783 63.100 -0.101 0.000 0.790 263 P CB 0.497 32.097 31.700 -0.166 0.000 0.780 264 S N -1.686 114.047 115.700 0.055 0.000 2.496 264 S HA 0.040 4.509 4.470 -0.000 0.000 0.224 264 S C 1.215 175.774 174.600 -0.068 0.000 0.996 264 S CA 0.486 58.623 58.200 -0.106 0.000 0.927 264 S CB -0.593 62.395 63.200 -0.353 0.000 0.774 264 S HN 0.370 nan 8.310 nan 0.000 0.524 265 Y N -0.272 120.154 120.300 0.211 0.000 2.471 265 Y HA 0.368 4.918 4.550 -0.000 0.000 0.249 265 Y C 2.059 177.995 175.900 0.059 0.000 1.116 265 Y CA -0.713 57.434 58.100 0.078 0.000 1.240 265 Y CB 0.121 38.656 38.460 0.125 0.000 1.251 265 Y HN -0.005 nan 8.280 nan 0.000 0.527 266 R N 1.353 122.003 120.500 0.250 0.000 2.103 266 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 266 R C 2.034 178.413 176.300 0.132 0.000 1.142 266 R CA 2.221 58.425 56.100 0.172 0.000 0.960 266 R CB -0.445 29.930 30.300 0.124 0.000 0.858 266 R HN 0.514 nan 8.270 nan 0.000 0.439 267 H N -0.447 118.659 119.070 0.061 0.000 2.561 267 H HA -0.045 4.511 4.556 -0.000 0.000 0.278 267 H C 1.233 176.568 175.328 0.013 0.000 1.014 267 H CA 0.842 56.909 56.048 0.030 0.000 1.211 267 H CB -0.069 29.708 29.762 0.025 0.000 1.365 267 H HN 0.331 nan 8.280 nan 0.000 0.594 268 L N -0.176 120.802 121.223 -0.409 0.000 2.858 268 L HA 0.394 4.734 4.340 -0.000 0.000 0.251 268 L C 2.517 179.213 176.870 -0.291 0.000 1.149 268 L CA 0.334 54.951 54.840 -0.371 0.000 0.955 268 L CB 0.244 42.043 42.059 -0.434 0.000 1.289 268 L HN 0.170 nan 8.230 nan 0.000 0.542 269 A N 0.555 123.276 122.820 -0.166 0.000 1.958 269 A HA -0.256 4.064 4.320 -0.000 0.000 0.221 269 A C 1.746 179.179 177.584 -0.251 0.000 1.178 269 A CA 2.228 54.173 52.037 -0.152 0.000 0.642 269 A CB -0.366 18.655 19.000 0.034 0.000 0.816 269 A HN 0.340 nan 8.150 nan 0.000 0.453 270 D N -0.968 119.295 120.400 -0.229 0.000 2.348 270 D HA -0.021 4.619 4.640 -0.000 0.000 0.216 270 D C 1.303 177.261 176.300 -0.569 0.000 0.970 270 D CA 0.712 54.553 54.000 -0.264 0.000 0.889 270 D CB -0.111 40.591 40.800 -0.163 0.000 0.912 270 D HN 0.461 nan 8.370 nan 0.000 0.524 271 R N -0.538 119.532 120.500 -0.718 0.000 2.696 271 R HA 0.268 4.608 4.340 -0.000 0.000 0.355 271 R C -0.018 175.770 176.300 -0.853 0.000 1.138 271 R CA -0.137 55.174 56.100 -1.315 0.000 1.059 271 R CB 0.529 30.350 30.300 -0.798 0.000 1.380 271 R HN -0.014 nan 8.270 nan 0.000 0.578 272 M N -0.451 118.746 119.600 -0.672 0.000 2.631 272 M HA 0.529 5.009 4.480 -0.000 0.000 0.288 272 M C 0.137 176.154 176.300 -0.471 0.000 1.260 272 M CA -0.642 54.242 55.300 -0.693 0.000 0.842 272 M CB 1.920 33.608 32.600 -1.520 0.000 1.743 272 M HN 0.281 nan 8.290 nan 0.000 0.461 273 G N 0.570 109.164 108.800 -0.344 0.000 2.662 273 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.686 273 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.686 273 G C 0.150 175.121 174.900 0.119 0.000 1.271 273 G CA -0.201 44.898 45.100 -0.001 0.000 0.816 273 G HN 0.691 nan 8.290 nan 0.000 0.608 274 T N 1.763 116.413 114.554 0.159 0.000 2.708 274 T HA -0.047 4.302 4.350 -0.000 0.000 0.266 274 T C 0.078 174.900 174.700 0.204 0.000 1.037 274 T CA 2.553 64.786 62.100 0.222 0.000 1.146 274 T CB -0.716 68.272 68.868 0.200 0.000 0.865 274 T HN 0.400 nan 8.240 nan 0.000 0.435 275 P HA -0.087 nan 4.420 nan 0.000 0.215 275 P C 1.043 178.387 177.300 0.074 0.000 1.153 275 P CA 0.878 64.034 63.100 0.093 0.000 0.853 275 P CB -0.094 31.662 31.700 0.093 0.000 0.788 276 Y N 0.249 120.541 120.300 -0.014 0.000 2.242 276 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 276 Y C 2.057 177.934 175.900 -0.037 0.000 1.137 276 Y CA 0.966 59.042 58.100 -0.041 0.000 1.181 276 Y CB -1.012 37.404 38.460 -0.073 0.000 0.989 276 Y HN -0.225 nan 8.280 nan 0.000 0.527 277 L N 0.751 121.967 121.223 -0.012 0.000 2.083 277 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 277 L C 2.165 178.924 176.870 -0.185 0.000 1.083 277 L CA 1.894 56.697 54.840 -0.061 0.000 0.752 277 L CB -0.915 41.254 42.059 0.183 0.000 0.899 277 L HN 0.330 nan 8.230 nan 0.000 0.433 278 Q N -0.587 119.081 119.800 -0.220 0.000 2.124 278 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 278 Q C 2.252 178.061 176.000 -0.319 0.000 0.977 278 Q CA 1.833 57.376 55.803 -0.433 0.000 0.850 278 Q CB -0.163 28.323 28.738 -0.420 0.000 0.901 278 Q HN 0.551 nan 8.270 nan 0.000 0.429 279 K N 0.405 120.640 120.400 -0.274 0.000 2.057 279 K HA -0.118 4.201 4.320 -0.000 0.000 0.206 279 K C 1.993 178.413 176.600 -0.300 0.000 1.050 279 K CA 0.927 57.062 56.287 -0.254 0.000 0.935 279 K CB 0.084 32.454 32.500 -0.216 0.000 0.715 279 K HN -0.010 nan 8.250 nan 0.000 0.439 280 V N 1.739 121.388 119.914 -0.441 0.000 2.307 280 V HA -0.243 3.876 4.120 -0.000 0.000 0.245 280 V C 2.273 178.224 176.094 -0.239 0.000 1.045 280 V CA 1.587 63.654 62.300 -0.387 0.000 1.024 280 V CB -0.294 31.211 31.823 -0.531 0.000 0.651 280 V HN 0.331 nan 8.190 nan 0.000 0.449 281 L N 0.499 121.586 121.223 -0.227 0.000 2.046 281 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 281 L C 2.546 179.324 176.870 -0.154 0.000 1.077 281 L CA 2.016 56.754 54.840 -0.170 0.000 0.747 281 L CB -0.920 41.032 42.059 -0.178 0.000 0.896 281 L HN 0.495 nan 8.230 nan 0.000 0.432 282 N N 0.433 119.024 118.700 -0.181 0.000 2.120 282 N HA -0.281 4.459 4.740 -0.000 0.000 0.188 282 N C 1.912 177.360 175.510 -0.103 0.000 1.024 282 N CA 1.817 54.782 53.050 -0.141 0.000 0.852 282 N CB 0.021 38.418 38.487 -0.150 0.000 1.003 282 N HN 0.483 nan 8.380 nan 0.000 0.424 283 Q N 0.215 119.947 119.800 -0.113 0.000 2.046 283 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 283 Q C 2.098 178.062 176.000 -0.061 0.000 0.975 283 Q CA 1.173 56.927 55.803 -0.083 0.000 0.836 283 Q CB 0.007 28.688 28.738 -0.094 0.000 0.896 283 Q HN 0.484 nan 8.270 nan 0.000 0.428 284 Q N -0.016 119.739 119.800 -0.075 0.000 2.119 284 Q HA -0.153 4.187 4.340 -0.000 0.000 0.201 284 Q C 2.180 178.172 176.000 -0.013 0.000 0.972 284 Q CA 1.068 56.839 55.803 -0.053 0.000 0.847 284 Q CB -0.046 28.642 28.738 -0.084 0.000 0.903 284 Q HN 0.330 nan 8.270 nan 0.000 0.433 285 L N 0.452 121.661 121.223 -0.025 0.000 2.027 285 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 285 L C 2.111 179.006 176.870 0.041 0.000 1.074 285 L CA 1.954 56.808 54.840 0.023 0.000 0.745 285 L CB -0.884 41.168 42.059 -0.012 0.000 0.898 285 L HN 0.073 nan 8.230 nan 0.000 0.433 286 T N 0.048 114.601 114.554 -0.003 0.000 2.684 286 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 286 T C 1.678 176.382 174.700 0.006 0.000 1.036 286 T CA 2.131 64.226 62.100 -0.008 0.000 1.148 286 T CB -0.545 68.308 68.868 -0.025 0.000 0.863 286 T HN 0.532 nan 8.240 nan 0.000 0.436 287 N N -0.197 118.512 118.700 0.015 0.000 2.244 287 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 287 N C 1.873 177.419 175.510 0.059 0.000 1.016 287 N CA 0.828 53.892 53.050 0.023 0.000 0.866 287 N CB -0.159 38.337 38.487 0.016 0.000 0.980 287 N HN 0.407 nan 8.380 nan 0.000 0.430 288 H N 1.224 120.275 119.070 -0.032 0.000 2.389 288 H HA 0.079 4.635 4.556 -0.000 0.000 0.299 288 H C 1.852 177.165 175.328 -0.024 0.000 1.081 288 H CA 1.227 57.259 56.048 -0.028 0.000 1.345 288 H CB -0.097 29.647 29.762 -0.031 0.000 1.393 288 H HN 0.159 nan 8.280 nan 0.000 0.520 289 I N -0.165 120.357 120.570 -0.079 0.000 2.252 289 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 289 I C 2.764 178.815 176.117 -0.111 0.000 1.102 289 I CA 1.209 62.422 61.300 -0.145 0.000 1.385 289 I CB -0.337 37.626 38.000 -0.062 0.000 1.064 289 I HN 0.221 nan 8.210 nan 0.000 0.414 290 R N 0.992 121.456 120.500 -0.059 0.000 2.103 290 R HA -0.238 4.101 4.340 -0.000 0.000 0.242 290 R C 1.956 178.224 176.300 -0.053 0.000 1.142 290 R CA 1.996 58.070 56.100 -0.043 0.000 0.960 290 R CB -0.280 30.006 30.300 -0.022 0.000 0.858 290 R HN 0.377 nan 8.270 nan 0.000 0.439 291 D N -0.925 119.438 120.400 -0.062 0.000 2.144 291 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 291 D C 1.495 177.741 176.300 -0.090 0.000 0.978 291 D CA 1.939 55.905 54.000 -0.057 0.000 0.833 291 D CB 0.223 41.010 40.800 -0.020 0.000 0.961 291 D HN 0.471 nan 8.370 nan 0.000 0.470 292 T N -1.188 113.266 114.554 -0.167 0.000 3.037 292 T HA 0.001 4.351 4.350 -0.000 0.000 0.251 292 T C 1.967 176.599 174.700 -0.114 0.000 1.079 292 T CA -0.148 61.853 62.100 -0.166 0.000 1.067 292 T CB -0.003 68.683 68.868 -0.303 0.000 0.948 292 T HN -0.049 nan 8.240 nan 0.000 0.496 293 L N 3.068 124.233 121.223 -0.098 0.000 2.046 293 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 293 L C -0.533 176.312 176.870 -0.041 0.000 1.077 293 L CA 1.733 56.536 54.840 -0.062 0.000 0.747 293 L CB -1.184 40.846 42.059 -0.049 0.000 0.896 293 L HN 0.105 nan 8.230 nan 0.000 0.432 294 P HA -0.167 nan 4.420 nan 0.000 0.216 294 P C 1.344 178.631 177.300 -0.022 0.000 1.157 294 P CA 2.209 65.293 63.100 -0.025 0.000 0.880 294 P CB -0.353 31.333 31.700 -0.023 0.000 0.791 295 G N -1.281 107.502 108.800 -0.028 0.000 3.042 295 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.212 295 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.212 295 G C 1.364 176.250 174.900 -0.022 0.000 1.166 295 G CA -0.131 44.956 45.100 -0.022 0.000 0.767 295 G HN 0.125 nan 8.290 nan 0.000 0.546 296 L N 1.290 122.496 121.223 -0.029 0.000 1.944 296 L HA -0.081 4.258 4.340 -0.000 0.000 0.218 296 L C 2.739 179.606 176.870 -0.005 0.000 1.075 296 L CA 2.349 57.173 54.840 -0.026 0.000 0.767 296 L CB -0.785 41.255 42.059 -0.032 0.000 0.890 296 L HN 0.264 nan 8.230 nan 0.000 0.434 297 R N -0.511 119.992 120.500 0.004 0.000 2.112 297 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 297 R C 2.130 178.440 176.300 0.017 0.000 1.137 297 R CA 2.547 58.658 56.100 0.018 0.000 0.944 297 R CB -0.454 29.855 30.300 0.015 0.000 0.857 297 R HN 0.639 nan 8.270 nan 0.000 0.435 298 N N -0.338 118.366 118.700 0.007 0.000 2.120 298 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 298 N C 1.704 177.217 175.510 0.006 0.000 1.024 298 N CA 1.217 54.270 53.050 0.006 0.000 0.852 298 N CB -0.010 38.478 38.487 0.001 0.000 1.003 298 N HN 0.231 nan 8.380 nan 0.000 0.424 299 K N 0.961 121.361 120.400 -0.001 0.000 2.002 299 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 299 K C 2.024 178.625 176.600 0.002 0.000 1.048 299 K CA 0.934 57.218 56.287 -0.006 0.000 0.930 299 K CB -0.216 32.273 32.500 -0.019 0.000 0.714 299 K HN 0.125 nan 8.250 nan 0.000 0.438 300 L N 1.268 122.498 121.223 0.011 0.000 2.013 300 L HA -0.301 4.039 4.340 -0.000 0.000 0.212 300 L C 2.620 179.523 176.870 0.056 0.000 1.073 300 L CA 1.495 56.359 54.840 0.040 0.000 0.753 300 L CB -0.428 41.684 42.059 0.088 0.000 0.890 300 L HN 0.310 nan 8.230 nan 0.000 0.432 301 Q N -0.529 119.297 119.800 0.045 0.000 2.077 301 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 301 Q C 2.342 178.360 176.000 0.029 0.000 0.989 301 Q CA 2.154 57.980 55.803 0.038 0.000 0.853 301 Q CB -0.318 28.435 28.738 0.025 0.000 0.907 301 Q HN 0.665 nan 8.270 nan 0.000 0.418 302 S N -0.100 115.612 115.700 0.019 0.000 2.453 302 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 302 S C 1.608 176.215 174.600 0.012 0.000 1.005 302 S CA 0.804 59.012 58.200 0.012 0.000 0.949 302 S CB 0.012 63.215 63.200 0.005 0.000 0.774 302 S HN 0.352 nan 8.310 nan 0.000 0.510 303 Q N 0.204 120.014 119.800 0.016 0.000 2.396 303 Q HA 0.413 4.753 4.340 -0.000 0.000 0.209 303 Q C 0.478 176.496 176.000 0.030 0.000 0.906 303 Q CA -0.118 55.692 55.803 0.011 0.000 0.927 303 Q CB 0.065 28.798 28.738 -0.008 0.000 1.069 303 Q HN 0.488 nan 8.270 nan 0.000 0.523 304 L N 0.000 121.256 121.223 0.055 0.000 2.949 304 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 304 L CA 0.000 54.886 54.840 0.076 0.000 0.813 304 L CB 0.000 42.117 42.059 0.097 0.000 0.961 304 L HN 0.000 nan 8.230 nan 0.000 0.502