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 1w5e_1_H DATA FIRST_RESID 23 DATA SEQUENCE SPEDKELLEY LQQTKAKITV VGCGGAGNNT ITRLKMEGIE GAKTVAINTD DATA SEQUENCE AQQLIRTKAD KKILIGKKLT RGLGAGGNPK IGEEAAKESA EEIKAAIQDS DATA SEQUENCE DMVFITCGLG GGTGTGSAPV VAEISKKIGA LTVAVVTLPF VMEGKVRMKN DATA SEQUENCE AMEGLERLKQ HTDTLVVIPN EKLFEIVPNM PLKLAFKVAD EVLINAVKGL DATA SEQUENCE VELITKDGLI NVDFADVKAV MNNGGLAMIG IGESDSEKRA KEAVSMALNS DATA SEQUENCE PLLDVDIDGA TGALIHVMGP EDLTLEEARE VVATVSSRLD PNATIIYGAT DATA SEQUENCE IDENLENTVR VLLVITGVQS RIEFTDTGLK RKK 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.603 174.600 0.005 0.000 1.055 23 S CA 0.000 58.203 58.200 0.004 0.000 1.107 23 S CB 0.000 63.202 63.200 0.004 0.000 0.593 24 P HA -0.106 nan 4.420 nan 0.000 0.214 24 P C 1.326 178.630 177.300 0.006 0.000 1.163 24 P CA 1.232 64.335 63.100 0.005 0.000 0.889 24 P CB 0.119 31.821 31.700 0.003 0.000 0.790 25 E N -0.606 119.596 120.200 0.004 0.000 2.204 25 E HA -0.209 4.141 4.350 0.000 0.000 0.195 25 E C 1.131 177.735 176.600 0.007 0.000 0.990 25 E CA 1.259 57.660 56.400 0.003 0.000 0.821 25 E CB -0.254 29.446 29.700 -0.000 0.000 0.750 25 E HN 0.170 nan 8.360 nan 0.000 0.477 26 D N 0.518 120.924 120.400 0.009 0.000 2.106 26 D HA -0.139 4.501 4.640 0.000 0.000 0.203 26 D C 1.886 178.199 176.300 0.022 0.000 0.977 26 D CA 1.762 55.770 54.000 0.014 0.000 0.844 26 D CB -0.043 40.764 40.800 0.011 0.000 1.002 26 D HN 0.237 nan 8.370 nan 0.000 0.461 27 K N 0.927 121.338 120.400 0.018 0.000 2.281 27 K HA -0.176 4.144 4.320 0.000 0.000 0.203 27 K C 1.773 178.391 176.600 0.031 0.000 1.046 27 K CA 1.151 57.450 56.287 0.021 0.000 0.938 27 K CB -0.054 32.454 32.500 0.014 0.000 0.737 27 K HN 0.059 nan 8.250 nan 0.000 0.458 28 E N 1.535 121.753 120.200 0.031 0.000 2.152 28 E HA -0.142 4.208 4.350 0.000 0.000 0.192 28 E C 1.827 178.466 176.600 0.066 0.000 0.983 28 E CA 0.618 57.042 56.400 0.040 0.000 0.818 28 E CB 0.009 29.723 29.700 0.023 0.000 0.758 28 E HN 0.377 nan 8.360 nan 0.000 0.467 29 L N 1.620 122.877 121.223 0.058 0.000 2.179 29 L HA -0.061 4.279 4.340 0.000 0.000 0.208 29 L C 2.312 179.264 176.870 0.137 0.000 1.096 29 L CA 0.901 55.790 54.840 0.082 0.000 0.779 29 L CB -0.946 41.138 42.059 0.042 0.000 0.922 29 L HN 0.239 nan 8.230 nan 0.000 0.443 30 L N -0.035 121.238 121.223 0.082 0.000 2.023 30 L HA -0.177 4.163 4.340 0.000 0.000 0.205 30 L C 2.228 179.124 176.870 0.043 0.000 1.073 30 L CA 1.686 56.560 54.840 0.058 0.000 0.745 30 L CB -0.724 41.352 42.059 0.029 0.000 0.900 30 L HN 0.309 nan 8.230 nan 0.000 0.435 31 E N -0.802 119.424 120.200 0.044 0.000 2.118 31 E HA -0.301 4.049 4.350 0.000 0.000 0.195 31 E C 2.016 178.620 176.600 0.007 0.000 0.992 31 E CA 1.672 58.082 56.400 0.018 0.000 0.804 31 E CB -0.441 29.275 29.700 0.027 0.000 0.741 31 E HN 0.642 nan 8.360 nan 0.000 0.458 32 Y N 1.321 121.615 120.300 -0.010 0.000 2.193 32 Y HA -0.280 4.270 4.550 0.000 0.000 0.285 32 Y C 1.973 177.865 175.900 -0.014 0.000 1.166 32 Y CA 1.226 59.320 58.100 -0.010 0.000 1.181 32 Y CB -0.296 38.159 38.460 -0.008 0.000 0.976 32 Y HN 0.026 nan 8.280 nan 0.000 0.520 33 L N 0.984 122.004 121.223 -0.339 0.000 1.961 33 L HA -0.237 4.103 4.340 0.000 0.000 0.210 33 L C 2.419 179.101 176.870 -0.313 0.000 1.072 33 L CA 2.262 56.873 54.840 -0.380 0.000 0.749 33 L CB -1.111 40.890 42.059 -0.098 0.000 0.889 33 L HN 0.366 nan 8.230 nan 0.000 0.432 34 Q N -1.149 118.544 119.800 -0.179 0.000 2.376 34 Q HA -0.303 4.038 4.340 0.000 0.000 0.211 34 Q C 2.033 177.931 176.000 -0.171 0.000 0.986 34 Q CA 1.489 57.206 55.803 -0.144 0.000 0.886 34 Q CB -0.274 28.409 28.738 -0.091 0.000 0.927 34 Q HN 0.577 nan 8.270 nan 0.000 0.457 35 Q N 0.597 120.268 119.800 -0.216 0.000 2.049 35 Q HA -0.137 4.203 4.340 0.000 0.000 0.198 35 Q C 2.034 177.905 176.000 -0.215 0.000 0.971 35 Q CA 1.911 57.601 55.803 -0.189 0.000 0.833 35 Q CB -0.582 28.048 28.738 -0.180 0.000 0.896 35 Q HN 0.237 nan 8.270 nan 0.000 0.434 36 T N -0.623 113.732 114.554 -0.331 0.000 2.755 36 T HA -0.209 4.142 4.350 0.000 0.000 0.266 36 T C -0.158 174.445 174.700 -0.162 0.000 1.041 36 T CA 1.755 63.697 62.100 -0.263 0.000 1.147 36 T CB -0.079 68.603 68.868 -0.309 0.000 0.847 36 T HN 0.484 nan 8.240 nan 0.000 0.478 37 K N -0.996 119.301 120.400 -0.172 0.000 2.499 37 K HA 0.782 5.103 4.320 0.000 0.000 0.284 37 K C -1.325 175.126 176.600 -0.248 0.000 1.039 37 K CA -0.528 55.655 56.287 -0.173 0.000 0.873 37 K CB 0.733 33.150 32.500 -0.138 0.000 1.545 37 K HN -0.065 nan 8.250 nan 0.000 0.402 38 A N 0.338 122.950 122.820 -0.347 0.000 2.306 38 A HA 0.640 4.961 4.320 0.000 0.000 0.330 38 A C -0.984 176.412 177.584 -0.313 0.000 1.146 38 A CA -0.825 50.903 52.037 -0.516 0.000 0.827 38 A CB 0.548 18.826 19.000 -1.202 0.000 1.178 38 A HN 0.508 nan 8.150 nan 0.000 0.490 39 K N 1.605 121.855 120.400 -0.250 0.000 2.250 39 K HA 0.383 4.703 4.320 0.000 0.000 0.280 39 K C -1.339 175.215 176.600 -0.076 0.000 1.098 39 K CA -0.016 56.194 56.287 -0.129 0.000 0.916 39 K CB 0.437 32.882 32.500 -0.092 0.000 1.209 39 K HN 0.500 nan 8.250 nan 0.000 0.461 40 I N 2.144 122.699 120.570 -0.024 0.000 2.359 40 I HA 0.152 4.322 4.170 0.000 0.000 0.294 40 I C 0.047 176.220 176.117 0.093 0.000 0.987 40 I CA -0.056 61.293 61.300 0.081 0.000 1.225 40 I CB 1.927 40.021 38.000 0.157 0.000 1.366 40 I HN 0.389 nan 8.210 nan 0.000 0.466 41 T N 5.323 119.956 114.554 0.130 0.000 2.890 41 T HA 0.462 4.813 4.350 0.000 0.000 0.295 41 T C -0.438 174.359 174.700 0.162 0.000 0.993 41 T CA -0.528 61.635 62.100 0.104 0.000 0.979 41 T CB 1.251 70.153 68.868 0.055 0.000 0.967 41 T HN 0.139 nan 8.240 nan 0.000 0.441 42 V N 4.080 124.072 119.914 0.130 0.000 2.406 42 V HA 0.419 4.539 4.120 0.000 0.000 0.272 42 V C -0.030 176.113 176.094 0.081 0.000 1.043 42 V CA -0.575 61.806 62.300 0.133 0.000 0.915 42 V CB 1.324 33.171 31.823 0.039 0.000 0.988 42 V HN 0.706 nan 8.190 nan 0.000 0.466 43 V N 4.308 124.276 119.914 0.090 0.000 2.407 43 V HA 0.665 4.785 4.120 0.000 0.000 0.291 43 V C 0.619 176.739 176.094 0.043 0.000 1.018 43 V CA -0.403 61.929 62.300 0.053 0.000 0.842 43 V CB 1.671 33.521 31.823 0.046 0.000 0.996 43 V HN 0.936 nan 8.190 nan 0.000 0.426 44 G N 3.156 111.970 108.800 0.023 0.000 2.335 44 G HA2 0.500 4.460 3.960 0.000 0.000 0.316 44 G HA3 0.500 4.460 3.960 0.000 0.000 0.316 44 G C -0.431 174.471 174.900 0.004 0.000 1.129 44 G CA -0.281 44.826 45.100 0.011 0.000 0.899 44 G HN 0.756 nan 8.290 nan 0.000 0.448 45 C N 1.508 120.809 119.300 0.002 0.000 2.341 45 C HA 0.953 5.414 4.460 0.000 0.000 0.338 45 C C 1.009 175.991 174.990 -0.014 0.000 1.257 45 C CA 0.416 59.432 59.018 -0.003 0.000 1.883 45 C CB 0.181 27.922 27.740 0.002 0.000 2.334 45 C HN 1.536 nan 8.230 nan 0.000 0.524 46 G N 2.317 111.107 108.800 -0.015 0.000 2.814 46 G HA2 0.188 4.149 3.960 0.000 0.000 0.677 46 G HA3 0.188 4.149 3.960 0.000 0.000 0.677 46 G C 0.756 175.635 174.900 -0.035 0.000 1.429 46 G CA -0.104 44.982 45.100 -0.024 0.000 0.868 46 G HN 1.429 nan 8.290 nan 0.000 0.553 47 G N 0.055 108.830 108.800 -0.043 0.000 2.513 47 G HA2 0.120 4.080 3.960 0.000 0.000 0.219 47 G HA3 0.120 4.080 3.960 0.000 0.000 0.219 47 G C 2.170 177.024 174.900 -0.077 0.000 1.160 47 G CA 3.307 48.373 45.100 -0.056 0.000 0.767 47 G HN 2.105 nan 8.290 nan 0.000 0.571 48 A N 0.887 123.648 122.820 -0.098 0.000 1.841 48 A HA 0.139 4.459 4.320 0.000 0.000 0.216 48 A C 2.807 180.347 177.584 -0.074 0.000 1.199 48 A CA 2.390 54.356 52.037 -0.117 0.000 0.621 48 A CB -1.385 17.539 19.000 -0.127 0.000 0.835 48 A HN 0.687 nan 8.150 nan 0.000 0.445 49 G N -0.113 108.656 108.800 -0.051 0.000 2.491 49 G HA2 -0.352 3.608 3.960 0.000 0.000 0.218 49 G HA3 -0.352 3.608 3.960 0.000 0.000 0.218 49 G C 1.382 176.265 174.900 -0.028 0.000 1.180 49 G CA 1.434 46.516 45.100 -0.031 0.000 0.774 49 G HN 0.550 nan 8.290 nan 0.000 0.562 50 N N 0.886 119.569 118.700 -0.029 0.000 2.091 50 N HA -0.156 4.585 4.740 0.000 0.000 0.193 50 N C 1.974 177.467 175.510 -0.028 0.000 1.021 50 N CA 1.545 54.580 53.050 -0.024 0.000 0.862 50 N CB -0.520 37.952 38.487 -0.024 0.000 1.018 50 N HN 0.455 nan 8.380 nan 0.000 0.429 51 N N -0.295 118.381 118.700 -0.039 0.000 2.104 51 N HA -0.098 4.642 4.740 0.000 0.000 0.190 51 N C 1.313 176.803 175.510 -0.033 0.000 1.024 51 N CA 1.764 54.790 53.050 -0.040 0.000 0.853 51 N CB -0.396 38.056 38.487 -0.059 0.000 1.008 51 N HN 0.156 nan 8.380 nan 0.000 0.424 52 T N 1.087 115.620 114.554 -0.035 0.000 2.737 52 T HA -0.040 4.311 4.350 0.000 0.000 0.265 52 T C 1.793 176.477 174.700 -0.027 0.000 1.038 52 T CA 0.946 63.027 62.100 -0.031 0.000 1.144 52 T CB -0.173 68.677 68.868 -0.031 0.000 0.866 52 T HN 0.149 nan 8.240 nan 0.000 0.434 53 I N 1.968 122.524 120.570 -0.022 0.000 2.151 53 I HA -0.205 3.965 4.170 0.000 0.000 0.243 53 I C 2.657 178.763 176.117 -0.018 0.000 1.080 53 I CA 1.640 62.929 61.300 -0.018 0.000 1.339 53 I CB -1.920 36.073 38.000 -0.011 0.000 1.039 53 I HN 0.274 nan 8.210 nan 0.000 0.409 54 T N 0.709 115.253 114.554 -0.017 0.000 2.653 54 T HA -0.242 4.108 4.350 0.000 0.000 0.268 54 T C 2.132 176.823 174.700 -0.016 0.000 1.035 54 T CA 1.450 63.541 62.100 -0.015 0.000 1.154 54 T CB -0.231 68.629 68.868 -0.015 0.000 0.862 54 T HN 0.257 nan 8.240 nan 0.000 0.441 55 R N 0.340 120.830 120.500 -0.018 0.000 2.073 55 R HA -0.004 4.337 4.340 0.000 0.000 0.234 55 R C 2.567 178.855 176.300 -0.021 0.000 1.134 55 R CA 1.161 57.250 56.100 -0.018 0.000 0.952 55 R CB -0.738 29.550 30.300 -0.019 0.000 0.850 55 R HN 0.412 nan 8.270 nan 0.000 0.433 56 L N 0.654 121.861 121.223 -0.026 0.000 2.012 56 L HA -0.254 4.086 4.340 0.000 0.000 0.210 56 L C 2.589 179.445 176.870 -0.024 0.000 1.073 56 L CA 1.532 56.353 54.840 -0.031 0.000 0.748 56 L CB -0.498 41.537 42.059 -0.040 0.000 0.891 56 L HN 0.103 nan 8.230 nan 0.000 0.431 57 K N 0.467 120.855 120.400 -0.019 0.000 1.978 57 K HA -0.183 4.137 4.320 0.000 0.000 0.214 57 K C 2.081 178.673 176.600 -0.013 0.000 1.049 57 K CA 1.852 58.130 56.287 -0.015 0.000 0.939 57 K CB -0.276 32.217 32.500 -0.012 0.000 0.721 57 K HN 0.090 nan 8.250 nan 0.000 0.441 58 M N 0.164 119.757 119.600 -0.012 0.000 2.065 58 M HA -0.180 4.300 4.480 0.000 0.000 0.259 58 M C 2.048 178.342 176.300 -0.011 0.000 1.069 58 M CA 1.948 57.241 55.300 -0.010 0.000 1.110 58 M CB -0.450 32.145 32.600 -0.009 0.000 1.328 58 M HN 0.223 nan 8.290 nan 0.000 0.405 59 E N 0.106 120.298 120.200 -0.013 0.000 2.409 59 E HA 0.079 4.429 4.350 0.000 0.000 0.198 59 E C 0.461 177.053 176.600 -0.014 0.000 1.024 59 E CA 0.206 56.598 56.400 -0.013 0.000 0.861 59 E CB -0.069 29.621 29.700 -0.017 0.000 0.788 59 E HN 0.613 nan 8.360 nan 0.000 0.521 60 G N 1.602 110.393 108.800 -0.015 0.000 2.999 60 G HA2 -0.214 3.746 3.960 0.000 0.000 0.686 60 G HA3 -0.214 3.746 3.960 0.000 0.000 0.686 60 G C -0.860 174.029 174.900 -0.019 0.000 1.057 60 G CA -0.360 44.731 45.100 -0.015 0.000 0.784 60 G HN 0.138 nan 8.290 nan 0.000 0.575 61 I N 1.474 122.032 120.570 -0.021 0.000 2.448 61 I HA 0.544 4.714 4.170 0.000 0.000 0.281 61 I C 0.284 176.388 176.117 -0.022 0.000 1.027 61 I CA -1.210 60.074 61.300 -0.028 0.000 1.111 61 I CB 1.409 39.384 38.000 -0.041 0.000 1.236 61 I HN 0.690 nan 8.210 nan 0.000 0.452 62 E N 5.560 125.751 120.200 -0.016 0.000 2.558 62 E HA 0.288 4.638 4.350 0.000 0.000 0.255 62 E C 1.257 177.849 176.600 -0.014 0.000 0.968 62 E CA 1.304 57.697 56.400 -0.012 0.000 0.939 62 E CB 0.273 29.971 29.700 -0.003 0.000 0.921 62 E HN 0.997 nan 8.360 nan 0.000 0.477 63 G N 2.586 111.376 108.800 -0.016 0.000 2.212 63 G HA2 -0.283 3.678 3.960 0.000 0.000 0.267 63 G HA3 -0.283 3.678 3.960 0.000 0.000 0.267 63 G C 0.013 174.905 174.900 -0.013 0.000 1.002 63 G CA 0.428 45.516 45.100 -0.020 0.000 0.729 63 G HN 0.737 nan 8.290 nan 0.000 0.517 64 A N -0.744 122.070 122.820 -0.010 0.000 2.401 64 A HA 0.811 5.131 4.320 0.000 0.000 0.310 64 A C -0.048 177.536 177.584 0.001 0.000 1.075 64 A CA -0.100 51.939 52.037 0.003 0.000 0.746 64 A CB 1.373 20.371 19.000 -0.005 0.000 1.277 64 A HN 0.584 nan 8.150 nan 0.000 0.425 65 K N 1.333 121.740 120.400 0.012 0.000 2.185 65 K HA 0.523 4.843 4.320 0.000 0.000 0.269 65 K C -0.451 176.158 176.600 0.015 0.000 0.987 65 K CA -0.125 56.167 56.287 0.008 0.000 0.865 65 K CB 0.881 33.385 32.500 0.007 0.000 1.090 65 K HN 0.780 nan 8.250 nan 0.000 0.450 66 T N 0.182 114.740 114.554 0.006 0.000 2.795 66 T HA 0.462 4.812 4.350 0.000 0.000 0.282 66 T C -0.400 174.305 174.700 0.008 0.000 0.980 66 T CA -0.790 61.314 62.100 0.007 0.000 1.012 66 T CB 1.290 70.157 68.868 -0.003 0.000 0.936 66 T HN 0.203 nan 8.240 nan 0.000 0.457 67 V N 2.253 122.175 119.914 0.013 0.000 2.531 67 V HA 0.771 4.891 4.120 0.000 0.000 0.301 67 V C -0.051 176.048 176.094 0.008 0.000 1.034 67 V CA -1.048 61.258 62.300 0.010 0.000 0.865 67 V CB 1.598 33.429 31.823 0.014 0.000 0.995 67 V HN 1.266 nan 8.190 nan 0.000 0.424 68 A N 6.721 129.542 122.820 0.003 0.000 2.291 68 A HA 0.878 5.198 4.320 0.000 0.000 0.311 68 A C -0.570 177.014 177.584 -0.001 0.000 1.224 68 A CA -0.493 51.544 52.037 -0.000 0.000 0.821 68 A CB 0.649 19.647 19.000 -0.004 0.000 1.172 68 A HN 1.028 nan 8.150 nan 0.000 0.494 69 I N 0.690 121.259 120.570 -0.000 0.000 2.433 69 I HA 0.690 4.860 4.170 0.000 0.000 0.292 69 I C -0.686 175.428 176.117 -0.004 0.000 1.001 69 I CA -0.584 60.716 61.300 -0.001 0.000 1.119 69 I CB 1.845 39.845 38.000 0.001 0.000 1.289 69 I HN 0.686 nan 8.210 nan 0.000 0.438 70 N N 2.781 121.478 118.700 -0.005 0.000 3.102 70 N HA 0.425 5.165 4.740 0.000 0.000 0.299 70 N C -0.230 175.277 175.510 -0.005 0.000 1.482 70 N CA -0.611 52.435 53.050 -0.007 0.000 0.785 70 N CB 2.641 41.123 38.487 -0.009 0.000 1.680 70 N HN 0.669 nan 8.380 nan 0.000 0.594 71 T N -1.160 113.391 114.554 -0.005 0.000 3.043 71 T HA 0.155 4.505 4.350 0.000 0.000 0.272 71 T C -1.387 173.312 174.700 -0.003 0.000 0.990 71 T CA -0.036 62.063 62.100 -0.003 0.000 0.897 71 T CB -0.090 68.777 68.868 -0.002 0.000 1.111 71 T HN 0.426 nan 8.240 nan 0.000 0.529 72 D N 1.084 121.481 120.400 -0.005 0.000 2.461 72 D HA 0.519 5.159 4.640 0.000 0.000 0.240 72 D C 1.216 177.513 176.300 -0.004 0.000 1.094 72 D CA -0.114 53.884 54.000 -0.004 0.000 0.868 72 D CB 1.688 42.484 40.800 -0.006 0.000 1.062 72 D HN 0.186 nan 8.370 nan 0.000 0.530 73 A N 4.090 126.908 122.820 -0.003 0.000 1.873 73 A HA -0.265 4.056 4.320 0.000 0.000 0.218 73 A C 1.951 179.533 177.584 -0.003 0.000 1.193 73 A CA 1.836 53.871 52.037 -0.003 0.000 0.629 73 A CB -0.628 18.371 19.000 -0.002 0.000 0.826 73 A HN 0.734 nan 8.150 nan 0.000 0.447 74 Q N -1.031 118.767 119.800 -0.002 0.000 2.133 74 Q HA -0.323 4.017 4.340 0.000 0.000 0.208 74 Q C 2.307 178.305 176.000 -0.004 0.000 0.991 74 Q CA 2.266 58.067 55.803 -0.002 0.000 0.867 74 Q CB -0.165 28.573 28.738 -0.001 0.000 0.911 74 Q HN 0.828 nan 8.270 nan 0.000 0.417 75 Q N -0.381 119.415 119.800 -0.006 0.000 2.016 75 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 75 Q C 2.115 178.110 176.000 -0.009 0.000 0.978 75 Q CA 1.221 57.019 55.803 -0.009 0.000 0.833 75 Q CB -0.079 28.651 28.738 -0.013 0.000 0.895 75 Q HN 0.347 nan 8.270 nan 0.000 0.427 76 L N 0.688 121.906 121.223 -0.008 0.000 2.187 76 L HA -0.204 4.137 4.340 0.000 0.000 0.213 76 L C 1.846 178.712 176.870 -0.006 0.000 1.100 76 L CA 1.307 56.142 54.840 -0.007 0.000 0.765 76 L CB -0.375 41.680 42.059 -0.006 0.000 0.904 76 L HN 0.302 nan 8.230 nan 0.000 0.437 77 I N 0.384 120.951 120.570 -0.005 0.000 2.142 77 I HA -0.264 3.906 4.170 0.000 0.000 0.240 77 I C 2.339 178.454 176.117 -0.005 0.000 1.078 77 I CA 1.636 62.934 61.300 -0.004 0.000 1.343 77 I CB -1.112 36.886 38.000 -0.003 0.000 1.046 77 I HN 0.459 nan 8.210 nan 0.000 0.405 78 R N 0.429 120.926 120.500 -0.005 0.000 2.328 78 R HA 0.068 4.408 4.340 0.000 0.000 0.200 78 R C 0.166 176.462 176.300 -0.007 0.000 0.983 78 R CA 0.265 56.361 56.100 -0.005 0.000 1.062 78 R CB -0.819 29.478 30.300 -0.005 0.000 0.956 78 R HN 0.136 nan 8.270 nan 0.000 0.479 79 T N 1.525 116.074 114.554 -0.008 0.000 2.882 79 T HA 0.251 4.601 4.350 0.000 0.000 0.287 79 T C -0.416 174.280 174.700 -0.008 0.000 0.992 79 T CA -0.500 61.594 62.100 -0.009 0.000 1.076 79 T CB 1.742 70.604 68.868 -0.011 0.000 0.961 79 T HN 0.119 nan 8.240 nan 0.000 0.490 80 K N 1.844 122.239 120.400 -0.009 0.000 2.265 80 K HA 0.745 5.065 4.320 0.000 0.000 0.267 80 K C -0.654 175.942 176.600 -0.008 0.000 0.994 80 K CA -0.625 55.658 56.287 -0.008 0.000 0.860 80 K CB 1.738 34.234 32.500 -0.008 0.000 1.099 80 K HN 0.714 nan 8.250 nan 0.000 0.448 81 A N 2.054 124.870 122.820 -0.007 0.000 2.586 81 A HA 0.261 4.581 4.320 0.000 0.000 0.290 81 A C -0.373 177.208 177.584 -0.005 0.000 1.086 81 A CA -0.702 51.331 52.037 -0.006 0.000 0.665 81 A CB 0.965 19.962 19.000 -0.005 0.000 1.279 81 A HN 0.639 nan 8.150 nan 0.000 0.423 82 D N -0.135 120.262 120.400 -0.004 0.000 2.117 82 D HA 0.018 4.658 4.640 0.000 0.000 0.198 82 D C 0.312 176.610 176.300 -0.003 0.000 0.982 82 D CA 1.720 55.718 54.000 -0.004 0.000 0.828 82 D CB 0.232 41.030 40.800 -0.003 0.000 0.967 82 D HN 0.372 nan 8.370 nan 0.000 0.464 83 K N 0.394 120.793 120.400 -0.002 0.000 2.482 83 K HA 0.301 4.621 4.320 0.000 0.000 0.251 83 K C -1.258 175.342 176.600 -0.001 0.000 0.936 83 K CA -0.547 55.739 56.287 -0.001 0.000 0.791 83 K CB 2.015 34.515 32.500 -0.001 0.000 1.213 83 K HN -0.310 nan 8.250 nan 0.000 0.428 84 K N 3.746 124.145 120.400 -0.002 0.000 2.208 84 K HA 0.629 4.949 4.320 0.000 0.000 0.247 84 K C -0.611 175.988 176.600 -0.002 0.000 0.953 84 K CA -0.944 55.342 56.287 -0.002 0.000 0.837 84 K CB 1.613 34.111 32.500 -0.003 0.000 1.131 84 K HN 0.523 nan 8.250 nan 0.000 0.431 85 I N 2.525 123.094 120.570 -0.002 0.000 2.610 85 I HA 0.160 4.330 4.170 0.000 0.000 0.289 85 I C -1.474 174.642 176.117 -0.002 0.000 1.163 85 I CA -0.903 60.396 61.300 -0.002 0.000 1.044 85 I CB 1.994 39.993 38.000 -0.002 0.000 1.251 85 I HN 0.323 nan 8.210 nan 0.000 0.424 86 L N 8.059 129.281 121.223 -0.002 0.000 2.264 86 L HA 0.581 4.921 4.340 0.000 0.000 0.287 86 L C -0.179 176.689 176.870 -0.002 0.000 1.039 86 L CA -0.171 54.667 54.840 -0.002 0.000 0.829 86 L CB 0.656 42.714 42.059 -0.002 0.000 1.211 86 L HN 0.476 nan 8.230 nan 0.000 0.427 87 I N 1.635 122.204 120.570 -0.002 0.000 2.783 87 I HA 0.770 4.941 4.170 0.000 0.000 0.312 87 I C 1.060 177.176 176.117 -0.001 0.000 0.988 87 I CA -0.465 60.834 61.300 -0.002 0.000 1.182 87 I CB 1.328 39.327 38.000 -0.002 0.000 1.368 87 I HN 0.771 nan 8.210 nan 0.000 0.511 88 G N 3.167 111.967 108.800 -0.001 0.000 2.338 88 G HA2 -0.225 3.735 3.960 0.000 0.000 0.296 88 G HA3 -0.225 3.735 3.960 0.000 0.000 0.296 88 G C 0.700 175.600 174.900 0.000 0.000 1.040 88 G CA 0.292 45.392 45.100 0.000 0.000 1.004 88 G HN 0.762 nan 8.290 nan 0.000 0.509 89 K N -0.124 120.276 120.400 -0.000 0.000 2.009 89 K HA -0.108 4.212 4.320 0.000 0.000 0.210 89 K C 2.534 179.134 176.600 0.000 0.000 1.049 89 K CA 1.857 58.144 56.287 -0.000 0.000 0.929 89 K CB -0.282 32.218 32.500 -0.001 0.000 0.714 89 K HN 0.452 nan 8.250 nan 0.000 0.440 90 K N 0.964 121.364 120.400 0.000 0.000 1.970 90 K HA -0.133 4.187 4.320 0.000 0.000 0.225 90 K C 2.216 178.817 176.600 0.002 0.000 1.045 90 K CA 1.064 57.352 56.287 0.001 0.000 1.002 90 K CB -1.028 31.473 32.500 0.001 0.000 0.743 90 K HN -0.091 nan 8.250 nan 0.000 0.445 91 L N 0.285 121.509 121.223 0.002 0.000 2.012 91 L HA -0.261 4.080 4.340 0.000 0.000 0.236 91 L C 1.012 177.883 176.870 0.003 0.000 1.099 91 L CA 1.917 56.759 54.840 0.003 0.000 0.821 91 L CB -1.761 40.300 42.059 0.003 0.000 0.918 91 L HN 0.232 nan 8.230 nan 0.000 0.445 92 T N 1.314 115.869 114.554 0.002 0.000 2.780 92 T HA 0.192 4.542 4.350 0.000 0.000 0.294 92 T C 0.661 175.362 174.700 0.002 0.000 0.949 92 T CA -0.599 61.502 62.100 0.002 0.000 1.074 92 T CB 0.690 69.559 68.868 0.002 0.000 0.910 92 T HN 0.105 nan 8.240 nan 0.000 0.501 93 R N 2.522 123.023 120.500 0.002 0.000 4.779 93 R HA 0.243 4.583 4.340 0.000 0.000 0.217 93 R C 1.459 177.760 176.300 0.001 0.000 1.934 93 R CA -0.235 55.866 56.100 0.001 0.000 1.623 93 R CB -1.061 29.241 30.300 0.002 0.000 1.364 93 R HN 1.083 nan 8.270 nan 0.000 0.799 94 G N 0.426 109.227 108.800 0.001 0.000 2.168 94 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 94 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 94 G C 0.587 175.488 174.900 0.000 0.000 0.997 94 G CA 0.204 45.304 45.100 0.000 0.000 0.708 94 G HN 0.491 nan 8.290 nan 0.000 0.520 95 L N -0.201 121.022 121.223 0.001 0.000 2.616 95 L HA 0.489 4.829 4.340 0.000 0.000 0.229 95 L C 1.442 178.313 176.870 0.002 0.000 1.110 95 L CA 0.498 55.339 54.840 0.002 0.000 0.884 95 L CB 0.038 42.099 42.059 0.003 0.000 1.115 95 L HN 1.071 nan 8.230 nan 0.000 0.481 96 G N -0.426 108.375 108.800 0.001 0.000 2.629 96 G HA2 -0.038 3.923 3.960 0.000 0.000 0.686 96 G HA3 -0.038 3.923 3.960 0.000 0.000 0.686 96 G C 0.186 175.088 174.900 0.003 0.000 1.232 96 G CA -0.383 44.718 45.100 0.001 0.000 0.803 96 G HN 0.045 nan 8.290 nan 0.000 0.638 97 A N 0.147 122.968 122.820 0.003 0.000 2.238 97 A HA 0.587 4.907 4.320 0.000 0.000 0.208 97 A C 2.398 179.986 177.584 0.007 0.000 1.177 97 A CA 1.687 53.727 52.037 0.004 0.000 0.804 97 A CB -0.658 18.345 19.000 0.004 0.000 0.823 97 A HN 2.974 nan 8.150 nan 0.000 0.482 98 G N -1.167 107.638 108.800 0.008 0.000 2.323 98 G HA2 0.114 4.074 3.960 0.000 0.000 0.292 98 G HA3 0.114 4.074 3.960 0.000 0.000 0.292 98 G C 1.415 176.323 174.900 0.013 0.000 1.040 98 G CA 0.769 45.876 45.100 0.011 0.000 0.942 98 G HN 2.025 nan 8.290 nan 0.000 0.506 99 G N -0.918 107.890 108.800 0.013 0.000 2.166 99 G HA2 -0.357 3.603 3.960 0.000 0.000 0.260 99 G HA3 -0.357 3.603 3.960 0.000 0.000 0.260 99 G C 0.373 175.281 174.900 0.013 0.000 0.986 99 G CA 0.840 45.949 45.100 0.015 0.000 0.683 99 G HN 1.575 nan 8.290 nan 0.000 0.527 100 N N 0.796 119.502 118.700 0.010 0.000 2.469 100 N HA 0.384 5.124 4.740 0.000 0.000 0.239 100 N C -0.742 174.773 175.510 0.009 0.000 1.053 100 N CA -2.039 51.017 53.050 0.010 0.000 0.937 100 N CB 1.412 39.905 38.487 0.009 0.000 1.163 100 N HN 0.017 nan 8.380 nan 0.000 0.509 101 P HA -0.190 nan 4.420 nan 0.000 0.216 101 P C 0.921 178.227 177.300 0.010 0.000 1.157 101 P CA 1.864 64.969 63.100 0.009 0.000 0.880 101 P CB 0.361 32.066 31.700 0.009 0.000 0.791 102 K N -0.865 119.541 120.400 0.011 0.000 2.034 102 K HA -0.185 4.135 4.320 0.000 0.000 0.214 102 K C 1.974 178.580 176.600 0.010 0.000 1.051 102 K CA 1.499 57.792 56.287 0.011 0.000 0.931 102 K CB -0.871 31.635 32.500 0.011 0.000 0.715 102 K HN 0.079 nan 8.250 nan 0.000 0.446 103 I N 0.998 121.573 120.570 0.008 0.000 2.151 103 I HA -0.208 3.962 4.170 0.000 0.000 0.243 103 I C 2.577 178.698 176.117 0.006 0.000 1.080 103 I CA 1.863 63.167 61.300 0.007 0.000 1.339 103 I CB -1.938 36.066 38.000 0.006 0.000 1.039 103 I HN 0.332 nan 8.210 nan 0.000 0.409 104 G N 0.142 108.946 108.800 0.006 0.000 2.440 104 G HA2 -0.299 3.662 3.960 0.000 0.000 0.218 104 G HA3 -0.299 3.662 3.960 0.000 0.000 0.218 104 G C 1.618 176.522 174.900 0.007 0.000 1.154 104 G CA 0.973 46.076 45.100 0.006 0.000 0.767 104 G HN 0.533 nan 8.290 nan 0.000 0.552 105 E N 0.313 120.519 120.200 0.010 0.000 2.017 105 E HA -0.181 4.169 4.350 0.000 0.000 0.193 105 E C 2.245 178.850 176.600 0.009 0.000 0.997 105 E CA 1.410 57.817 56.400 0.013 0.000 0.804 105 E CB -0.309 29.402 29.700 0.018 0.000 0.757 105 E HN 0.577 nan 8.360 nan 0.000 0.448 106 E N 0.034 120.239 120.200 0.008 0.000 2.033 106 E HA -0.280 4.070 4.350 0.000 0.000 0.199 106 E C 2.016 178.618 176.600 0.003 0.000 1.011 106 E CA 1.399 57.802 56.400 0.005 0.000 0.815 106 E CB -0.310 29.394 29.700 0.006 0.000 0.755 106 E HN 0.374 nan 8.360 nan 0.000 0.451 107 A N 1.076 123.898 122.820 0.003 0.000 1.958 107 A HA -0.268 4.052 4.320 0.000 0.000 0.221 107 A C 2.372 179.956 177.584 0.000 0.000 1.178 107 A CA 2.439 54.476 52.037 0.001 0.000 0.642 107 A CB -0.991 18.010 19.000 0.002 0.000 0.816 107 A HN 0.478 nan 8.150 nan 0.000 0.453 108 A N -0.285 122.536 122.820 0.000 0.000 1.841 108 A HA -0.154 4.166 4.320 0.000 0.000 0.214 108 A C 2.096 179.677 177.584 -0.005 0.000 1.195 108 A CA 1.773 53.809 52.037 -0.002 0.000 0.611 108 A CB -0.533 18.467 19.000 -0.000 0.000 0.835 108 A HN 0.549 nan 8.150 nan 0.000 0.443 109 K N -0.384 120.013 120.400 -0.005 0.000 2.074 109 K HA -0.245 4.076 4.320 0.000 0.000 0.209 109 K C 2.107 178.703 176.600 -0.007 0.000 1.048 109 K CA 1.618 57.900 56.287 -0.008 0.000 0.926 109 K CB -0.276 32.220 32.500 -0.006 0.000 0.713 109 K HN 0.720 nan 8.250 nan 0.000 0.444 110 E N 0.972 121.170 120.200 -0.004 0.000 2.065 110 E HA -0.195 4.155 4.350 0.000 0.000 0.201 110 E C 0.654 177.252 176.600 -0.004 0.000 1.016 110 E CA 1.678 58.076 56.400 -0.003 0.000 0.818 110 E CB 0.052 29.751 29.700 -0.002 0.000 0.749 110 E HN 0.129 nan 8.360 nan 0.000 0.453 111 S N 0.019 115.717 115.700 -0.005 0.000 2.618 111 S HA 0.319 4.790 4.470 0.000 0.000 0.242 111 S C 0.970 175.565 174.600 -0.008 0.000 0.972 111 S CA 0.173 58.370 58.200 -0.005 0.000 1.004 111 S CB 0.950 64.147 63.200 -0.004 0.000 0.778 111 S HN 0.424 nan 8.310 nan 0.000 0.459 112 A N 1.370 124.184 122.820 -0.010 0.000 2.024 112 A HA -0.149 4.171 4.320 0.000 0.000 0.220 112 A C 2.123 179.699 177.584 -0.014 0.000 1.164 112 A CA 1.531 53.560 52.037 -0.014 0.000 0.643 112 A CB -0.274 18.715 19.000 -0.018 0.000 0.806 112 A HN 0.426 nan 8.150 nan 0.000 0.451 113 E N 0.117 120.311 120.200 -0.011 0.000 2.033 113 E HA -0.080 4.271 4.350 0.000 0.000 0.189 113 E C 1.834 178.429 176.600 -0.008 0.000 0.979 113 E CA 1.362 57.757 56.400 -0.010 0.000 0.802 113 E CB -0.287 29.409 29.700 -0.008 0.000 0.763 113 E HN 0.539 nan 8.360 nan 0.000 0.449 114 E N 0.196 120.392 120.200 -0.007 0.000 2.171 114 E HA -0.159 4.191 4.350 0.000 0.000 0.197 114 E C 2.026 178.623 176.600 -0.005 0.000 0.997 114 E CA 1.117 57.514 56.400 -0.005 0.000 0.810 114 E CB -0.205 29.492 29.700 -0.004 0.000 0.738 114 E HN 0.383 nan 8.360 nan 0.000 0.467 115 I N 0.348 120.914 120.570 -0.006 0.000 2.233 115 I HA -0.227 3.944 4.170 0.000 0.000 0.243 115 I C 2.388 178.501 176.117 -0.007 0.000 1.093 115 I CA 0.932 62.228 61.300 -0.006 0.000 1.380 115 I CB -0.218 37.777 38.000 -0.007 0.000 1.067 115 I HN 0.038 nan 8.210 nan 0.000 0.413 116 K N 1.513 121.906 120.400 -0.011 0.000 2.160 116 K HA -0.219 4.102 4.320 0.000 0.000 0.206 116 K C 2.070 178.665 176.600 -0.009 0.000 1.047 116 K CA 1.630 57.910 56.287 -0.012 0.000 0.930 116 K CB -0.072 32.419 32.500 -0.014 0.000 0.720 116 K HN 0.322 nan 8.250 nan 0.000 0.450 117 A N 0.635 123.451 122.820 -0.008 0.000 1.968 117 A HA 0.028 4.348 4.320 0.000 0.000 0.217 117 A C 2.213 179.794 177.584 -0.005 0.000 1.169 117 A CA 1.392 53.425 52.037 -0.007 0.000 0.638 117 A CB -0.499 18.497 19.000 -0.006 0.000 0.812 117 A HN 0.451 nan 8.150 nan 0.000 0.446 118 A N 0.125 122.942 122.820 -0.004 0.000 2.067 118 A HA 0.123 4.443 4.320 0.000 0.000 0.219 118 A C 1.681 179.265 177.584 0.000 0.000 1.158 118 A CA 1.337 53.373 52.037 -0.001 0.000 0.661 118 A CB -0.586 18.414 19.000 0.001 0.000 0.801 118 A HN 1.022 nan 8.150 nan 0.000 0.452 119 I N -4.792 115.777 120.570 -0.001 0.000 4.102 119 I HA 0.288 4.459 4.170 0.000 0.000 0.325 119 I C 1.400 177.514 176.117 -0.005 0.000 1.471 119 I CA 0.077 61.377 61.300 0.000 0.000 1.133 119 I CB 0.191 38.193 38.000 0.004 0.000 1.184 119 I HN 0.052 nan 8.210 nan 0.000 0.451 120 Q N 2.740 122.536 119.800 -0.007 0.000 2.197 120 Q HA -0.204 4.136 4.340 0.000 0.000 0.211 120 Q C 0.331 176.324 176.000 -0.011 0.000 0.993 120 Q CA 2.092 57.890 55.803 -0.009 0.000 0.883 120 Q CB -0.149 28.583 28.738 -0.009 0.000 0.916 120 Q HN 0.610 nan 8.270 nan 0.000 0.418 121 D N 0.157 120.549 120.400 -0.013 0.000 2.943 121 D HA 0.218 4.859 4.640 0.000 0.000 0.347 121 D C -0.985 175.302 176.300 -0.023 0.000 1.305 121 D CA -0.013 53.976 54.000 -0.018 0.000 0.870 121 D CB 0.613 41.400 40.800 -0.021 0.000 1.081 121 D HN -0.028 nan 8.370 nan 0.000 0.492 122 S N 0.246 115.936 115.700 -0.016 0.000 2.509 122 S HA 0.215 4.685 4.470 0.000 0.000 0.297 122 S C 0.853 175.446 174.600 -0.011 0.000 1.118 122 S CA -0.716 57.474 58.200 -0.017 0.000 1.074 122 S CB 2.482 65.681 63.200 -0.002 0.000 1.038 122 S HN 0.101 nan 8.310 nan 0.000 0.498 123 D N 1.156 121.540 120.400 -0.026 0.000 2.271 123 D HA 0.099 4.740 4.640 0.000 0.000 0.206 123 D C 0.312 176.682 176.300 0.118 0.000 0.967 123 D CA 0.838 54.852 54.000 0.023 0.000 0.867 123 D CB 0.322 41.060 40.800 -0.104 0.000 0.960 123 D HN 0.403 nan 8.370 nan 0.000 0.509 124 M N 0.915 120.557 119.600 0.070 0.000 2.322 124 M HA 0.304 4.784 4.480 0.000 0.000 0.286 124 M C -2.289 173.997 176.300 -0.025 0.000 1.111 124 M CA -0.463 54.861 55.300 0.040 0.000 0.941 124 M CB 2.645 35.341 32.600 0.159 0.000 1.671 124 M HN -0.412 nan 8.290 nan 0.000 0.470 125 V N 5.133 124.978 119.914 -0.114 0.000 2.444 125 V HA 0.516 4.636 4.120 0.000 0.000 0.294 125 V C -1.109 174.894 176.094 -0.151 0.000 1.022 125 V CA -0.429 61.839 62.300 -0.054 0.000 0.850 125 V CB 1.699 33.510 31.823 -0.020 0.000 0.992 125 V HN 0.732 nan 8.190 nan 0.000 0.426 126 F N 4.958 124.925 119.950 0.028 0.000 2.410 126 F HA 0.572 5.099 4.527 0.001 0.000 0.349 126 F C 0.381 176.192 175.800 0.017 0.000 1.117 126 F CA -0.417 57.598 58.000 0.025 0.000 1.104 126 F CB 1.204 40.219 39.000 0.025 0.000 1.122 126 F HN 0.270 nan 8.300 nan 0.000 0.483 127 I N 3.186 123.851 120.570 0.159 0.000 2.359 127 I HA 0.258 4.428 4.170 0.000 0.000 0.284 127 I C -0.027 176.149 176.117 0.099 0.000 1.018 127 I CA -0.254 61.106 61.300 0.101 0.000 1.173 127 I CB 1.447 39.481 38.000 0.057 0.000 1.326 127 I HN 0.485 nan 8.210 nan 0.000 0.462 128 T N 5.607 120.209 114.554 0.081 0.000 2.885 128 T HA 0.779 5.130 4.350 0.000 0.000 0.285 128 T C -0.606 174.106 174.700 0.020 0.000 1.019 128 T CA -0.313 61.818 62.100 0.052 0.000 1.010 128 T CB 1.286 70.180 68.868 0.044 0.000 1.022 128 T HN 0.923 nan 8.240 nan 0.000 0.466 129 C N 1.223 120.525 119.300 0.003 0.000 3.167 129 C HA 0.833 5.294 4.460 0.000 0.000 0.348 129 C C -0.089 174.883 174.990 -0.029 0.000 1.394 129 C CA -0.509 58.500 59.018 -0.015 0.000 1.204 129 C CB 0.448 28.182 27.740 -0.009 0.000 1.467 129 C HN 1.161 nan 8.230 nan 0.000 0.446 130 G N 1.549 110.323 108.800 -0.044 0.000 2.522 130 G HA2 0.582 4.543 3.960 0.000 0.000 0.318 130 G HA3 0.582 4.543 3.960 0.000 0.000 0.318 130 G C -0.506 174.370 174.900 -0.040 0.000 1.192 130 G CA -0.496 44.572 45.100 -0.052 0.000 0.988 130 G HN 0.927 nan 8.290 nan 0.000 0.480 131 L N 1.486 122.685 121.223 -0.039 0.000 2.483 131 L HA 0.368 4.708 4.340 0.000 0.000 0.275 131 L C 1.586 178.442 176.870 -0.023 0.000 1.220 131 L CA 1.331 56.150 54.840 -0.034 0.000 0.833 131 L CB 0.846 42.874 42.059 -0.052 0.000 1.102 131 L HN 0.829 nan 8.230 nan 0.000 0.490 132 G N 0.981 109.772 108.800 -0.014 0.000 2.380 132 G HA2 -0.142 3.819 3.960 0.000 0.000 0.197 132 G HA3 -0.142 3.819 3.960 0.000 0.000 0.197 132 G C 0.319 175.227 174.900 0.013 0.000 1.001 132 G CA -0.267 44.836 45.100 0.005 0.000 0.668 132 G HN 1.019 nan 8.290 nan 0.000 0.483 133 G N -0.643 108.160 108.800 0.004 0.000 2.606 133 G HA2 0.603 4.563 3.960 0.000 0.000 0.262 133 G HA3 0.603 4.563 3.960 0.000 0.000 0.262 133 G C 1.111 176.013 174.900 0.004 0.000 1.394 133 G CA 0.422 45.526 45.100 0.006 0.000 1.044 133 G HN 1.124 nan 8.290 nan 0.000 0.553 134 G N -1.851 106.951 108.800 0.004 0.000 2.641 134 G HA2 0.133 4.093 3.960 0.000 0.000 0.207 134 G HA3 0.133 4.093 3.960 0.000 0.000 0.207 134 G C 1.548 176.450 174.900 0.002 0.000 1.137 134 G CA 1.402 46.505 45.100 0.005 0.000 0.824 134 G HN 0.544 nan 8.290 nan 0.000 0.547 135 T N 1.107 115.660 114.554 -0.001 0.000 2.668 135 T HA 0.039 4.389 4.350 0.000 0.000 0.258 135 T C 2.488 177.187 174.700 -0.002 0.000 1.051 135 T CA 1.466 63.565 62.100 -0.002 0.000 1.155 135 T CB -0.717 68.147 68.868 -0.006 0.000 0.864 135 T HN 0.269 nan 8.240 nan 0.000 0.413 136 G N 1.377 110.172 108.800 -0.007 0.000 2.480 136 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 136 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 136 G C 1.746 176.645 174.900 -0.001 0.000 1.200 136 G CA 1.612 46.708 45.100 -0.006 0.000 0.782 136 G HN 0.464 nan 8.290 nan 0.000 0.554 137 T N 0.953 115.505 114.554 -0.003 0.000 2.699 137 T HA -0.115 4.235 4.350 0.000 0.000 0.268 137 T C 2.416 177.121 174.700 0.008 0.000 1.036 137 T CA 1.740 63.840 62.100 -0.001 0.000 1.147 137 T CB -0.601 68.265 68.868 -0.004 0.000 0.862 137 T HN 0.388 nan 8.240 nan 0.000 0.446 138 G N 1.059 109.864 108.800 0.009 0.000 2.394 138 G HA2 -0.147 3.814 3.960 0.000 0.000 0.214 138 G HA3 -0.147 3.814 3.960 0.000 0.000 0.214 138 G C 1.954 176.865 174.900 0.018 0.000 1.176 138 G CA 1.152 46.261 45.100 0.015 0.000 0.786 138 G HN 0.627 nan 8.290 nan 0.000 0.533 139 S N 1.399 117.107 115.700 0.013 0.000 2.357 139 S HA 0.195 4.665 4.470 0.000 0.000 0.221 139 S C 2.681 177.292 174.600 0.019 0.000 1.031 139 S CA 1.464 59.671 58.200 0.012 0.000 0.982 139 S CB -0.724 62.480 63.200 0.007 0.000 0.853 139 S HN 0.674 nan 8.310 nan 0.000 0.458 140 A N 3.449 126.281 122.820 0.020 0.000 1.944 140 A HA -0.139 4.181 4.320 0.000 0.000 0.222 140 A C 0.189 177.800 177.584 0.045 0.000 1.237 140 A CA 2.302 54.356 52.037 0.028 0.000 0.668 140 A CB -2.106 16.909 19.000 0.024 0.000 0.830 140 A HN 0.577 nan 8.150 nan 0.000 0.471 141 P HA -0.053 nan 4.420 nan 0.000 0.215 141 P C 1.684 179.032 177.300 0.081 0.000 1.157 141 P CA 1.250 64.421 63.100 0.118 0.000 0.859 141 P CB -0.153 31.631 31.700 0.141 0.000 0.786 142 V N -0.173 119.761 119.914 0.033 0.000 2.282 142 V HA -0.230 3.891 4.120 0.000 0.000 0.249 142 V C 2.460 178.531 176.094 -0.040 0.000 1.057 142 V CA 1.902 64.189 62.300 -0.022 0.000 1.032 142 V CB -1.345 30.471 31.823 -0.012 0.000 0.645 142 V HN -0.038 nan 8.190 nan 0.000 0.447 143 V N 0.157 120.064 119.914 -0.011 0.000 2.332 143 V HA -0.288 3.832 4.120 0.000 0.000 0.248 143 V C 2.697 178.782 176.094 -0.015 0.000 1.055 143 V CA 2.080 64.374 62.300 -0.011 0.000 1.038 143 V CB -1.128 30.699 31.823 0.006 0.000 0.651 143 V HN 0.582 nan 8.190 nan 0.000 0.450 144 A N -0.584 122.239 122.820 0.004 0.000 1.902 144 A HA -0.294 4.027 4.320 0.000 0.000 0.217 144 A C 2.291 179.859 177.584 -0.026 0.000 1.181 144 A CA 2.107 54.155 52.037 0.019 0.000 0.623 144 A CB -0.518 18.532 19.000 0.084 0.000 0.818 144 A HN 0.638 nan 8.150 nan 0.000 0.443 145 E N -0.241 119.875 120.200 -0.139 0.000 2.051 145 E HA -0.166 4.184 4.350 0.000 0.000 0.192 145 E C 1.896 178.405 176.600 -0.152 0.000 0.991 145 E CA 1.269 57.485 56.400 -0.306 0.000 0.799 145 E CB -0.224 29.093 29.700 -0.639 0.000 0.748 145 E HN 0.667 nan 8.360 nan 0.000 0.449 146 I N 0.460 120.965 120.570 -0.108 0.000 2.226 146 I HA -0.274 3.897 4.170 0.000 0.000 0.245 146 I C 2.715 178.806 176.117 -0.045 0.000 1.100 146 I CA 1.035 62.296 61.300 -0.066 0.000 1.374 146 I CB -0.371 37.602 38.000 -0.046 0.000 1.057 146 I HN 0.148 nan 8.210 nan 0.000 0.413 147 S N 0.648 116.326 115.700 -0.036 0.000 2.359 147 S HA -0.236 4.235 4.470 0.000 0.000 0.224 147 S C 2.111 176.697 174.600 -0.023 0.000 1.035 147 S CA 1.585 59.771 58.200 -0.024 0.000 1.018 147 S CB -0.120 63.068 63.200 -0.020 0.000 0.876 147 S HN 0.297 nan 8.310 nan 0.000 0.448 148 K N 0.449 120.834 120.400 -0.025 0.000 2.057 148 K HA -0.057 4.263 4.320 0.000 0.000 0.207 148 K C 2.287 178.876 176.600 -0.018 0.000 1.049 148 K CA 1.248 57.526 56.287 -0.015 0.000 0.931 148 K CB -0.143 32.357 32.500 0.001 0.000 0.714 148 K HN 0.330 nan 8.250 nan 0.000 0.440 149 K N 0.882 121.264 120.400 -0.031 0.000 2.103 149 K HA -0.141 4.179 4.320 0.000 0.000 0.207 149 K C 1.908 178.497 176.600 -0.017 0.000 1.048 149 K CA 1.434 57.705 56.287 -0.026 0.000 0.930 149 K CB -0.235 32.243 32.500 -0.037 0.000 0.716 149 K HN 0.360 nan 8.250 nan 0.000 0.444 150 I N -2.544 118.016 120.570 -0.017 0.000 3.680 150 I HA 0.184 4.354 4.170 0.000 0.000 0.306 150 I C 0.745 176.858 176.117 -0.006 0.000 1.260 150 I CA 0.511 61.804 61.300 -0.011 0.000 1.201 150 I CB -0.302 37.691 38.000 -0.012 0.000 1.009 150 I HN 0.226 nan 8.210 nan 0.000 0.467 151 G N 1.394 110.191 108.800 -0.005 0.000 2.168 151 G HA2 -0.302 3.659 3.960 0.000 0.000 0.263 151 G HA3 -0.302 3.659 3.960 0.000 0.000 0.263 151 G C 0.468 175.372 174.900 0.006 0.000 0.977 151 G CA 0.167 45.267 45.100 0.001 0.000 0.659 151 G HN 0.986 nan 8.290 nan 0.000 0.533 152 A N -0.177 122.644 122.820 0.001 0.000 2.386 152 A HA 0.641 4.961 4.320 0.000 0.000 0.248 152 A C 0.778 178.358 177.584 -0.006 0.000 1.082 152 A CA 0.020 52.061 52.037 0.007 0.000 0.789 152 A CB 0.545 19.543 19.000 -0.003 0.000 1.025 152 A HN 1.302 nan 8.150 nan 0.000 0.490 153 L N 2.359 123.585 121.223 0.004 0.000 2.456 153 L HA 0.176 4.516 4.340 0.000 0.000 0.277 153 L C -0.192 176.615 176.870 -0.104 0.000 1.124 153 L CA 0.008 54.823 54.840 -0.042 0.000 0.880 153 L CB 0.070 42.109 42.059 -0.033 0.000 1.192 153 L HN 0.745 nan 8.230 nan 0.000 0.463 154 T N 4.685 119.184 114.554 -0.092 0.000 2.749 154 T HA 0.387 4.737 4.350 0.000 0.000 0.295 154 T C -0.225 174.391 174.700 -0.139 0.000 0.936 154 T CA -0.292 61.745 62.100 -0.105 0.000 1.060 154 T CB 1.237 70.082 68.868 -0.040 0.000 0.904 154 T HN 0.354 nan 8.240 nan 0.000 0.500 155 V N 2.860 122.642 119.914 -0.220 0.000 2.488 155 V HA 0.670 4.790 4.120 0.000 0.000 0.293 155 V C 0.080 176.144 176.094 -0.051 0.000 1.027 155 V CA -1.091 61.095 62.300 -0.190 0.000 0.862 155 V CB 1.478 33.056 31.823 -0.409 0.000 1.008 155 V HN 1.059 nan 8.190 nan 0.000 0.428 156 A N 4.212 127.047 122.820 0.024 0.000 2.293 156 A HA 0.866 5.187 4.320 0.000 0.000 0.302 156 A C -0.399 177.246 177.584 0.102 0.000 1.119 156 A CA -0.487 51.592 52.037 0.071 0.000 0.823 156 A CB 1.494 20.525 19.000 0.051 0.000 1.097 156 A HN 0.882 nan 8.150 nan 0.000 0.491 157 V N 3.158 123.135 119.914 0.105 0.000 2.564 157 V HA 0.307 4.427 4.120 0.000 0.000 0.259 157 V C -0.113 176.005 176.094 0.040 0.000 0.936 157 V CA -0.303 62.049 62.300 0.086 0.000 0.867 157 V CB 0.317 32.210 31.823 0.117 0.000 1.076 157 V HN 0.957 nan 8.190 nan 0.000 0.476 158 V N 0.715 120.640 119.914 0.019 0.000 2.966 158 V HA 0.969 5.089 4.120 0.000 0.000 0.317 158 V C 0.303 176.377 176.094 -0.033 0.000 1.070 158 V CA -0.199 62.095 62.300 -0.009 0.000 1.008 158 V CB 1.922 33.736 31.823 -0.014 0.000 1.070 158 V HN 0.695 nan 8.190 nan 0.000 0.457 159 T N 0.983 115.505 114.554 -0.053 0.000 2.950 159 T HA 0.777 5.127 4.350 0.000 0.000 0.288 159 T C -0.781 173.862 174.700 -0.095 0.000 1.035 159 T CA -0.743 61.307 62.100 -0.082 0.000 1.028 159 T CB 1.600 70.409 68.868 -0.098 0.000 1.109 159 T HN 0.617 nan 8.240 nan 0.000 0.514 160 L N 2.480 123.627 121.223 -0.127 0.000 2.334 160 L HA 0.622 4.962 4.340 0.000 0.000 0.272 160 L C -2.082 174.700 176.870 -0.146 0.000 1.020 160 L CA -2.413 52.354 54.840 -0.123 0.000 0.812 160 L CB 1.260 43.242 42.059 -0.127 0.000 1.264 160 L HN 0.582 nan 8.230 nan 0.000 0.439 161 P HA 0.091 nan 4.420 nan 0.000 0.272 161 P C -0.615 176.669 177.300 -0.026 0.000 1.223 161 P CA -0.204 62.890 63.100 -0.010 0.000 0.784 161 P CB 0.408 32.147 31.700 0.065 0.000 0.923 162 F N 0.171 120.167 119.950 0.077 0.000 2.450 162 F HA -0.022 4.505 4.527 0.000 0.000 0.339 162 F C 2.060 177.902 175.800 0.069 0.000 1.146 162 F CA -0.012 58.031 58.000 0.071 0.000 1.267 162 F CB 0.067 39.101 39.000 0.058 0.000 1.178 162 F HN 0.041 nan 8.300 nan 0.000 0.585 163 V N 2.491 122.587 119.914 0.304 0.000 2.490 163 V HA -0.322 3.798 4.120 0.000 0.000 0.250 163 V C 2.113 178.287 176.094 0.132 0.000 1.061 163 V CA 1.758 64.160 62.300 0.170 0.000 1.064 163 V CB -0.785 31.121 31.823 0.138 0.000 0.670 163 V HN 0.799 nan 8.190 nan 0.000 0.461 164 M N -0.271 119.415 119.600 0.144 0.000 2.195 164 M HA -0.237 4.243 4.480 0.000 0.000 0.260 164 M C 2.023 178.361 176.300 0.063 0.000 1.066 164 M CA 1.820 57.153 55.300 0.054 0.000 1.089 164 M CB -0.634 31.955 32.600 -0.018 0.000 1.377 164 M HN 0.391 nan 8.290 nan 0.000 0.411 165 E N 0.500 120.770 120.200 0.116 0.000 2.409 165 E HA 0.092 4.442 4.350 0.000 0.000 0.198 165 E C 0.905 177.553 176.600 0.080 0.000 1.024 165 E CA 0.270 56.737 56.400 0.112 0.000 0.861 165 E CB -0.161 29.642 29.700 0.172 0.000 0.788 165 E HN 0.604 nan 8.360 nan 0.000 0.521 166 G N 1.126 109.967 108.800 0.068 0.000 2.707 166 G HA2 -0.284 3.676 3.960 0.000 0.000 0.686 166 G HA3 -0.284 3.676 3.960 0.000 0.000 0.686 166 G C 0.063 174.989 174.900 0.043 0.000 1.315 166 G CA -0.102 45.027 45.100 0.048 0.000 0.832 166 G HN 0.087 nan 8.290 nan 0.000 0.573 167 K N -0.554 119.865 120.400 0.032 0.000 1.978 167 K HA -0.029 4.291 4.320 0.000 0.000 0.214 167 K C 2.794 179.408 176.600 0.023 0.000 1.049 167 K CA 2.249 58.551 56.287 0.025 0.000 0.939 167 K CB -0.488 32.024 32.500 0.020 0.000 0.721 167 K HN 0.481 nan 8.250 nan 0.000 0.441 168 V N 1.266 121.194 119.914 0.023 0.000 2.277 168 V HA -0.344 3.776 4.120 0.000 0.000 0.253 168 V C 2.462 178.569 176.094 0.022 0.000 1.067 168 V CA 2.194 64.507 62.300 0.021 0.000 1.047 168 V CB -0.546 31.289 31.823 0.022 0.000 0.649 168 V HN 0.333 nan 8.190 nan 0.000 0.447 169 R N -0.703 119.816 120.500 0.032 0.000 2.082 169 R HA -0.171 4.169 4.340 0.000 0.000 0.234 169 R C 2.189 178.502 176.300 0.022 0.000 1.136 169 R CA 2.353 58.475 56.100 0.036 0.000 0.935 169 R CB -0.847 29.490 30.300 0.061 0.000 0.842 169 R HN 0.506 nan 8.270 nan 0.000 0.430 170 M N 0.551 120.164 119.600 0.021 0.000 2.108 170 M HA -0.180 4.301 4.480 0.000 0.000 0.261 170 M C 1.879 178.169 176.300 -0.016 0.000 1.066 170 M CA 1.925 57.224 55.300 -0.000 0.000 1.107 170 M CB -0.329 32.274 32.600 0.005 0.000 1.356 170 M HN 0.006 nan 8.290 nan 0.000 0.406 171 K N 0.110 120.508 120.400 -0.004 0.000 2.032 171 K HA -0.159 4.161 4.320 0.000 0.000 0.209 171 K C 1.543 178.135 176.600 -0.013 0.000 1.048 171 K CA 2.511 58.794 56.287 -0.007 0.000 0.927 171 K CB -0.604 31.898 32.500 0.004 0.000 0.712 171 K HN 0.695 nan 8.250 nan 0.000 0.441 172 N N -0.398 118.298 118.700 -0.007 0.000 2.120 172 N HA -0.145 4.595 4.740 0.000 0.000 0.188 172 N C 1.752 177.248 175.510 -0.022 0.000 1.024 172 N CA 0.864 53.909 53.050 -0.007 0.000 0.852 172 N CB -0.233 38.255 38.487 0.002 0.000 1.003 172 N HN 0.333 nan 8.380 nan 0.000 0.424 173 A N 1.361 124.162 122.820 -0.031 0.000 1.908 173 A HA -0.170 4.150 4.320 0.000 0.000 0.218 173 A C 2.145 179.671 177.584 -0.097 0.000 1.181 173 A CA 1.335 53.339 52.037 -0.055 0.000 0.627 173 A CB -0.317 18.649 19.000 -0.056 0.000 0.818 173 A HN 0.143 nan 8.150 nan 0.000 0.445 174 M N -0.324 119.212 119.600 -0.107 0.000 2.077 174 M HA -0.112 4.368 4.480 0.000 0.000 0.261 174 M C 1.948 178.182 176.300 -0.111 0.000 1.070 174 M CA 1.553 56.752 55.300 -0.169 0.000 1.125 174 M CB -1.674 30.848 32.600 -0.131 0.000 1.339 174 M HN 0.540 nan 8.290 nan 0.000 0.409 175 E N -0.284 119.890 120.200 -0.043 0.000 2.118 175 E HA -0.147 4.203 4.350 0.000 0.000 0.195 175 E C 2.068 178.666 176.600 -0.004 0.000 0.992 175 E CA 1.189 57.587 56.400 -0.004 0.000 0.804 175 E CB -0.397 29.307 29.700 0.006 0.000 0.741 175 E HN 0.636 nan 8.360 nan 0.000 0.458 176 G N 1.628 110.415 108.800 -0.020 0.000 2.421 176 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 176 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 176 G C 1.562 176.453 174.900 -0.015 0.000 1.171 176 G CA 0.582 45.676 45.100 -0.010 0.000 0.775 176 G HN 0.163 nan 8.290 nan 0.000 0.543 177 L N 0.730 121.912 121.223 -0.069 0.000 2.129 177 L HA -0.063 4.277 4.340 0.000 0.000 0.212 177 L C 2.564 179.456 176.870 0.036 0.000 1.087 177 L CA 2.478 57.261 54.840 -0.096 0.000 0.757 177 L CB -0.435 41.428 42.059 -0.328 0.000 0.896 177 L HN 0.353 nan 8.230 nan 0.000 0.434 178 E N -0.098 120.147 120.200 0.074 0.000 2.001 178 E HA -0.213 4.138 4.350 0.000 0.000 0.195 178 E C 2.324 178.977 176.600 0.088 0.000 1.002 178 E CA 1.595 58.117 56.400 0.204 0.000 0.819 178 E CB -0.256 29.538 29.700 0.156 0.000 0.769 178 E HN 0.360 nan 8.360 nan 0.000 0.454 179 R N -0.324 120.197 120.500 0.036 0.000 2.162 179 R HA -0.234 4.107 4.340 0.000 0.000 0.245 179 R C 2.476 178.755 176.300 -0.036 0.000 1.129 179 R CA 1.782 57.879 56.100 -0.006 0.000 0.940 179 R CB -0.970 29.351 30.300 0.036 0.000 0.875 179 R HN 0.243 nan 8.270 nan 0.000 0.437 180 L N 1.635 122.875 121.223 0.027 0.000 2.081 180 L HA -0.246 4.094 4.340 0.000 0.000 0.212 180 L C 2.341 179.221 176.870 0.017 0.000 1.080 180 L CA 1.858 56.725 54.840 0.045 0.000 0.754 180 L CB -0.463 41.624 42.059 0.048 0.000 0.893 180 L HN 0.112 nan 8.230 nan 0.000 0.433 181 K N -0.910 119.510 120.400 0.033 0.000 2.063 181 K HA -0.253 4.067 4.320 0.000 0.000 0.208 181 K C 2.001 178.558 176.600 -0.072 0.000 1.048 181 K CA 1.900 58.201 56.287 0.024 0.000 0.928 181 K CB -0.126 32.422 32.500 0.079 0.000 0.713 181 K HN 0.495 nan 8.250 nan 0.000 0.442 182 Q N -0.874 118.810 119.800 -0.194 0.000 2.364 182 Q HA -0.126 4.214 4.340 0.000 0.000 0.209 182 Q C 0.355 176.123 176.000 -0.386 0.000 0.977 182 Q CA 0.893 56.492 55.803 -0.341 0.000 0.885 182 Q CB 0.135 28.568 28.738 -0.508 0.000 0.941 182 Q HN 0.436 nan 8.270 nan 0.000 0.464 183 H N -0.992 118.085 119.070 0.012 0.000 2.549 183 H HA 0.320 4.876 4.556 0.000 0.000 0.253 183 H C -0.431 174.895 175.328 -0.003 0.000 1.170 183 H CA 0.005 56.054 56.048 0.003 0.000 0.943 183 H CB 0.505 30.269 29.762 0.004 0.000 1.849 183 H HN -0.021 nan 8.280 nan 0.000 0.603 184 T N -0.450 114.144 114.554 0.067 0.000 2.916 184 T HA 0.198 4.548 4.350 0.000 0.000 0.292 184 T C 0.710 175.414 174.700 0.008 0.000 1.055 184 T CA -0.663 61.458 62.100 0.035 0.000 1.009 184 T CB 2.663 71.548 68.868 0.029 0.000 1.118 184 T HN 0.030 nan 8.240 nan 0.000 0.497 185 D N 0.846 121.237 120.400 -0.015 0.000 2.338 185 D HA 0.085 4.725 4.640 0.000 0.000 0.208 185 D C 0.696 176.980 176.300 -0.026 0.000 0.997 185 D CA 0.979 54.963 54.000 -0.027 0.000 0.880 185 D CB 0.687 41.458 40.800 -0.048 0.000 0.980 185 D HN 0.609 nan 8.370 nan 0.000 0.509 186 T N 0.609 115.149 114.554 -0.022 0.000 3.578 186 T HA 0.278 4.628 4.350 0.000 0.000 0.329 186 T C -1.753 172.955 174.700 0.014 0.000 0.913 186 T CA -0.766 61.331 62.100 -0.006 0.000 1.029 186 T CB 0.393 69.254 68.868 -0.012 0.000 1.045 186 T HN -0.149 nan 8.240 nan 0.000 0.460 187 L N 6.412 127.655 121.223 0.032 0.000 2.260 187 L HA 0.726 5.066 4.340 0.000 0.000 0.289 187 L C -0.800 176.106 176.870 0.059 0.000 1.057 187 L CA -0.257 54.613 54.840 0.051 0.000 0.811 187 L CB 0.985 43.086 42.059 0.071 0.000 1.184 187 L HN 0.539 nan 8.230 nan 0.000 0.429 188 V N 6.500 126.450 119.914 0.059 0.000 2.328 188 V HA 0.461 4.581 4.120 0.000 0.000 0.278 188 V C -0.203 175.913 176.094 0.036 0.000 1.021 188 V CA -0.663 61.670 62.300 0.055 0.000 0.838 188 V CB 1.450 33.316 31.823 0.071 0.000 0.999 188 V HN 0.601 nan 8.190 nan 0.000 0.447 189 V N 3.650 123.578 119.914 0.023 0.000 2.513 189 V HA 0.739 4.860 4.120 0.000 0.000 0.299 189 V C -0.617 175.465 176.094 -0.021 0.000 1.035 189 V CA -0.816 61.480 62.300 -0.008 0.000 0.889 189 V CB 1.647 33.455 31.823 -0.026 0.000 0.988 189 V HN 0.564 nan 8.190 nan 0.000 0.440 190 I N 5.613 126.156 120.570 -0.045 0.000 2.362 190 I HA 0.554 4.724 4.170 0.000 0.000 0.289 190 I C -2.582 173.474 176.117 -0.101 0.000 0.994 190 I CA -2.199 59.063 61.300 -0.062 0.000 1.158 190 I CB 2.032 39.992 38.000 -0.067 0.000 1.315 190 I HN 0.468 nan 8.210 nan 0.000 0.451 191 P HA 0.342 nan 4.420 nan 0.000 0.258 191 P C 0.203 177.375 177.300 -0.212 0.000 1.647 191 P CA -0.350 62.669 63.100 -0.134 0.000 1.099 191 P CB 0.285 31.936 31.700 -0.082 0.000 1.604 192 N N 1.746 120.236 118.700 -0.350 0.000 2.144 192 N HA -0.300 4.441 4.740 0.000 0.000 0.195 192 N C 1.611 176.705 175.510 -0.692 0.000 1.006 192 N CA 1.077 53.734 53.050 -0.655 0.000 0.880 192 N CB -0.037 37.776 38.487 -1.123 0.000 1.018 192 N HN 0.409 nan 8.380 nan 0.000 0.443 193 E N 1.514 121.463 120.200 -0.419 0.000 2.085 193 E HA -0.162 4.189 4.350 0.000 0.000 0.194 193 E C 1.362 177.982 176.600 0.033 0.000 0.994 193 E CA 1.285 57.658 56.400 -0.045 0.000 0.801 193 E CB 0.077 29.812 29.700 0.058 0.000 0.743 193 E HN 0.102 nan 8.360 nan 0.000 0.453 194 K N -0.000 120.381 120.400 -0.031 0.000 2.360 194 K HA -0.125 4.196 4.320 0.000 0.000 0.201 194 K C 1.784 178.385 176.600 0.002 0.000 1.046 194 K CA 0.363 56.656 56.287 0.010 0.000 0.940 194 K CB -0.280 32.212 32.500 -0.013 0.000 0.748 194 K HN 0.207 nan 8.250 nan 0.000 0.465 195 L N -0.029 121.144 121.223 -0.084 0.000 2.079 195 L HA -0.132 4.208 4.340 0.000 0.000 0.210 195 L C 1.906 178.752 176.870 -0.039 0.000 1.081 195 L CA 1.502 56.280 54.840 -0.104 0.000 0.752 195 L CB -0.921 41.026 42.059 -0.186 0.000 0.896 195 L HN 0.045 nan 8.230 nan 0.000 0.433 196 F N -0.056 119.970 119.950 0.126 0.000 2.408 196 F HA -0.135 4.392 4.527 0.000 0.000 0.300 196 F C 2.356 178.186 175.800 0.050 0.000 1.090 196 F CA 0.647 58.699 58.000 0.086 0.000 1.427 196 F CB -0.623 38.431 39.000 0.090 0.000 1.070 196 F HN 0.260 nan 8.300 nan 0.000 0.549 197 E N -0.424 119.895 120.200 0.198 0.000 2.482 197 E HA -0.030 4.320 4.350 0.000 0.000 0.196 197 E C 1.882 178.535 176.600 0.089 0.000 1.047 197 E CA 0.402 56.875 56.400 0.122 0.000 0.869 197 E CB 0.096 29.846 29.700 0.084 0.000 0.836 197 E HN 0.432 nan 8.360 nan 0.000 0.520 198 I N -0.961 119.661 120.570 0.087 0.000 3.366 198 I HA 0.041 4.212 4.170 0.000 0.000 0.267 198 I C 0.828 176.988 176.117 0.071 0.000 1.149 198 I CA -0.010 61.325 61.300 0.058 0.000 1.436 198 I CB 0.567 38.585 38.000 0.031 0.000 1.379 198 I HN -0.138 nan 8.210 nan 0.000 0.460 199 V N 1.827 121.795 119.914 0.090 0.000 2.863 199 V HA 0.342 4.462 4.120 0.000 0.000 0.307 199 V C -2.154 174.050 176.094 0.184 0.000 1.061 199 V CA -1.815 60.547 62.300 0.104 0.000 1.024 199 V CB 1.727 33.591 31.823 0.068 0.000 1.049 199 V HN -0.047 nan 8.190 nan 0.000 0.471 200 P HA 0.167 nan 4.420 nan 0.000 0.274 200 P C -0.839 176.563 177.300 0.170 0.000 1.256 200 P CA -0.455 62.719 63.100 0.123 0.000 0.795 200 P CB 0.320 32.058 31.700 0.063 0.000 1.038 201 N N 1.408 120.122 118.700 0.023 0.000 2.412 201 N HA 0.144 4.884 4.740 0.000 0.000 0.254 201 N C -0.008 175.487 175.510 -0.024 0.000 1.232 201 N CA 0.909 53.880 53.050 -0.131 0.000 0.880 201 N CB -0.052 38.325 38.487 -0.184 0.000 1.076 201 N HN 0.432 nan 8.380 nan 0.000 0.458 202 M N -0.970 118.622 119.600 -0.012 0.000 2.643 202 M HA 0.491 4.971 4.480 0.000 0.000 0.276 202 M C -3.128 173.140 176.300 -0.052 0.000 1.200 202 M CA -1.766 53.538 55.300 0.006 0.000 0.863 202 M CB 1.620 34.260 32.600 0.067 0.000 1.711 202 M HN 0.011 nan 8.290 nan 0.000 0.492 203 P HA 0.037 nan 4.420 nan 0.000 0.267 203 P C 0.699 177.876 177.300 -0.206 0.000 1.200 203 P CA -0.579 62.448 63.100 -0.122 0.000 0.772 203 P CB 0.566 32.214 31.700 -0.086 0.000 0.855 204 L N 2.335 123.385 121.223 -0.288 0.000 2.351 204 L HA -0.200 4.141 4.340 0.000 0.000 0.220 204 L C 1.773 178.284 176.870 -0.598 0.000 1.127 204 L CA 1.984 56.497 54.840 -0.545 0.000 0.786 204 L CB -0.482 41.298 42.059 -0.465 0.000 0.914 204 L HN 0.502 nan 8.230 nan 0.000 0.443 205 K N -0.421 119.823 120.400 -0.260 0.000 2.007 205 K HA -0.178 4.142 4.320 0.000 0.000 0.206 205 K C 2.021 178.606 176.600 -0.026 0.000 1.047 205 K CA 0.993 57.235 56.287 -0.075 0.000 0.937 205 K CB 0.065 32.561 32.500 -0.008 0.000 0.718 205 K HN 0.234 nan 8.250 nan 0.000 0.438 206 L N 1.236 122.424 121.223 -0.058 0.000 2.156 206 L HA 0.025 4.365 4.340 0.000 0.000 0.208 206 L C 2.493 179.347 176.870 -0.027 0.000 1.095 206 L CA 1.611 56.443 54.840 -0.013 0.000 0.770 206 L CB -1.242 40.811 42.059 -0.011 0.000 0.914 206 L HN 0.245 nan 8.230 nan 0.000 0.439 207 A N -0.448 122.274 122.820 -0.164 0.000 1.892 207 A HA -0.241 4.079 4.320 0.000 0.000 0.218 207 A C 2.154 179.757 177.584 0.032 0.000 1.188 207 A CA 1.677 53.560 52.037 -0.258 0.000 0.631 207 A CB -0.915 17.562 19.000 -0.871 0.000 0.822 207 A HN 0.298 nan 8.150 nan 0.000 0.447 208 F N 0.524 120.487 119.950 0.022 0.000 2.154 208 F HA -0.177 4.351 4.527 0.000 0.000 0.301 208 F C 2.277 178.117 175.800 0.067 0.000 1.087 208 F CA 1.487 59.555 58.000 0.114 0.000 1.274 208 F CB -0.426 38.618 39.000 0.074 0.000 1.009 208 F HN 0.144 nan 8.300 nan 0.000 0.485 209 K N 0.098 120.632 120.400 0.224 0.000 2.057 209 K HA -0.079 4.241 4.320 0.000 0.000 0.207 209 K C 2.378 179.035 176.600 0.096 0.000 1.049 209 K CA 0.900 57.262 56.287 0.125 0.000 0.931 209 K CB -1.186 31.362 32.500 0.080 0.000 0.714 209 K HN 0.172 nan 8.250 nan 0.000 0.440 210 V N 1.788 121.758 119.914 0.094 0.000 2.255 210 V HA -0.272 3.848 4.120 0.000 0.000 0.247 210 V C 2.485 178.620 176.094 0.068 0.000 1.051 210 V CA 2.081 64.418 62.300 0.062 0.000 1.018 210 V CB -0.861 30.985 31.823 0.040 0.000 0.641 210 V HN 0.315 nan 8.190 nan 0.000 0.445 211 A N -0.281 122.616 122.820 0.128 0.000 1.892 211 A HA -0.310 4.011 4.320 0.000 0.000 0.218 211 A C 2.012 179.627 177.584 0.051 0.000 1.188 211 A CA 2.168 54.258 52.037 0.089 0.000 0.631 211 A CB -0.811 18.294 19.000 0.175 0.000 0.822 211 A HN 0.581 nan 8.150 nan 0.000 0.447 212 D N -0.593 119.848 120.400 0.070 0.000 2.126 212 D HA -0.207 4.433 4.640 0.000 0.000 0.190 212 D C 1.880 178.186 176.300 0.009 0.000 1.001 212 D CA 1.925 55.941 54.000 0.027 0.000 0.841 212 D CB -0.335 40.484 40.800 0.032 0.000 0.949 212 D HN 0.534 nan 8.370 nan 0.000 0.446 213 E N 0.434 120.643 120.200 0.014 0.000 2.023 213 E HA -0.134 4.216 4.350 0.000 0.000 0.196 213 E C 2.296 178.889 176.600 -0.011 0.000 1.003 213 E CA 0.580 56.980 56.400 0.000 0.000 0.809 213 E CB -0.418 29.285 29.700 0.004 0.000 0.755 213 E HN 0.024 nan 8.360 nan 0.000 0.449 214 V N 0.736 120.644 119.914 -0.009 0.000 2.278 214 V HA -0.319 3.801 4.120 0.000 0.000 0.251 214 V C 2.488 178.568 176.094 -0.024 0.000 1.062 214 V CA 1.997 64.286 62.300 -0.020 0.000 1.038 214 V CB -0.565 31.243 31.823 -0.025 0.000 0.646 214 V HN 0.304 nan 8.190 nan 0.000 0.447 215 L N -0.980 120.229 121.223 -0.023 0.000 2.012 215 L HA -0.208 4.132 4.340 0.000 0.000 0.210 215 L C 2.434 179.283 176.870 -0.034 0.000 1.073 215 L CA 1.399 56.223 54.840 -0.027 0.000 0.748 215 L CB -0.432 41.610 42.059 -0.027 0.000 0.891 215 L HN 0.269 nan 8.230 nan 0.000 0.431 216 I N -0.319 120.231 120.570 -0.033 0.000 2.142 216 I HA -0.312 3.858 4.170 0.000 0.000 0.240 216 I C 2.391 178.478 176.117 -0.051 0.000 1.078 216 I CA 1.395 62.670 61.300 -0.042 0.000 1.343 216 I CB -1.566 36.414 38.000 -0.033 0.000 1.046 216 I HN 0.387 nan 8.210 nan 0.000 0.405 217 N N 1.065 119.738 118.700 -0.045 0.000 2.036 217 N HA -0.176 4.565 4.740 0.000 0.000 0.195 217 N C 1.852 177.330 175.510 -0.054 0.000 1.037 217 N CA 2.015 55.032 53.050 -0.053 0.000 0.855 217 N CB -0.020 38.439 38.487 -0.046 0.000 1.033 217 N HN 0.372 nan 8.380 nan 0.000 0.423 218 A N 0.759 123.555 122.820 -0.039 0.000 1.851 218 A HA -0.118 4.203 4.320 0.000 0.000 0.216 218 A C 2.637 180.193 177.584 -0.048 0.000 1.195 218 A CA 1.975 53.996 52.037 -0.026 0.000 0.622 218 A CB -1.075 17.919 19.000 -0.011 0.000 0.831 218 A HN 0.156 nan 8.150 nan 0.000 0.444 219 V N 0.296 120.165 119.914 -0.075 0.000 2.261 219 V HA -0.284 3.836 4.120 0.000 0.000 0.246 219 V C 2.595 178.555 176.094 -0.224 0.000 1.047 219 V CA 2.511 64.713 62.300 -0.165 0.000 1.015 219 V CB -0.720 31.018 31.823 -0.140 0.000 0.642 219 V HN 0.702 nan 8.190 nan 0.000 0.446 220 K N 0.123 120.439 120.400 -0.141 0.000 2.026 220 K HA -0.157 4.163 4.320 0.000 0.000 0.208 220 K C 2.200 178.756 176.600 -0.074 0.000 1.048 220 K CA 1.716 57.934 56.287 -0.116 0.000 0.929 220 K CB -0.753 31.702 32.500 -0.076 0.000 0.713 220 K HN 0.472 nan 8.250 nan 0.000 0.439 221 G N 1.735 110.502 108.800 -0.056 0.000 2.491 221 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 221 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 221 G C 1.523 176.510 174.900 0.145 0.000 1.180 221 G CA 1.084 46.186 45.100 0.004 0.000 0.774 221 G HN 0.248 nan 8.290 nan 0.000 0.562 222 L N -0.204 121.040 121.223 0.035 0.000 1.970 222 L HA -0.128 4.213 4.340 0.000 0.000 0.212 222 L C 3.088 179.970 176.870 0.019 0.000 1.071 222 L CA 1.002 55.878 54.840 0.061 0.000 0.751 222 L CB -0.612 41.482 42.059 0.058 0.000 0.889 222 L HN 0.137 nan 8.230 nan 0.000 0.432 223 V N 0.058 119.853 119.914 -0.198 0.000 2.231 223 V HA -0.342 3.778 4.120 0.000 0.000 0.248 223 V C 2.398 178.486 176.094 -0.011 0.000 1.054 223 V CA 2.133 64.335 62.300 -0.165 0.000 1.015 223 V CB -0.566 31.061 31.823 -0.327 0.000 0.638 223 V HN 0.503 nan 8.190 nan 0.000 0.444 224 E N -0.336 119.873 120.200 0.016 0.000 2.267 224 E HA -0.245 4.105 4.350 0.000 0.000 0.197 224 E C 2.070 178.683 176.600 0.022 0.000 0.998 224 E CA 1.206 57.645 56.400 0.066 0.000 0.830 224 E CB -0.272 29.507 29.700 0.131 0.000 0.751 224 E HN 0.487 nan 8.360 nan 0.000 0.491 225 L N 0.886 122.098 121.223 -0.018 0.000 2.083 225 L HA -0.147 4.193 4.340 0.000 0.000 0.209 225 L C 1.956 178.732 176.870 -0.156 0.000 1.083 225 L CA 1.571 56.209 54.840 -0.338 0.000 0.752 225 L CB -0.110 41.860 42.059 -0.148 0.000 0.899 225 L HN 0.046 nan 8.230 nan 0.000 0.433 226 I N -1.160 119.402 120.570 -0.013 0.000 2.585 226 I HA -0.117 4.054 4.170 0.000 0.000 0.254 226 I C 1.985 178.121 176.117 0.033 0.000 1.129 226 I CA 1.287 62.617 61.300 0.051 0.000 1.455 226 I CB -0.414 37.690 38.000 0.173 0.000 1.111 226 I HN 0.447 nan 8.210 nan 0.000 0.433 227 T N -2.223 112.341 114.554 0.017 0.000 3.040 227 T HA 0.100 4.450 4.350 0.000 0.000 0.250 227 T C 0.695 175.390 174.700 -0.009 0.000 1.058 227 T CA -0.258 61.843 62.100 0.002 0.000 0.988 227 T CB 0.113 68.983 68.868 0.002 0.000 0.993 227 T HN 0.019 nan 8.240 nan 0.000 0.519 228 K N 1.712 122.104 120.400 -0.013 0.000 2.156 228 K HA 0.262 4.583 4.320 0.000 0.000 0.271 228 K C -1.060 175.528 176.600 -0.019 0.000 0.995 228 K CA -0.690 55.595 56.287 -0.004 0.000 0.890 228 K CB 0.761 33.278 32.500 0.028 0.000 1.073 228 K HN 0.099 nan 8.250 nan 0.000 0.454 229 D N 2.516 122.911 120.400 -0.009 0.000 2.390 229 D HA 0.173 4.813 4.640 0.000 0.000 0.249 229 D C 0.149 176.446 176.300 -0.004 0.000 1.144 229 D CA 0.346 54.339 54.000 -0.011 0.000 0.880 229 D CB 1.695 42.492 40.800 -0.005 0.000 1.182 229 D HN 0.768 nan 8.370 nan 0.000 0.451 230 G N 0.498 109.291 108.800 -0.012 0.000 3.243 230 G HA2 0.367 4.328 3.960 0.000 0.000 0.248 230 G HA3 0.367 4.328 3.960 0.000 0.000 0.248 230 G C 0.622 175.526 174.900 0.005 0.000 1.267 230 G CA -0.599 44.502 45.100 0.003 0.000 0.906 230 G HN 0.411 nan 8.290 nan 0.000 0.592 231 L N -0.185 121.048 121.223 0.017 0.000 2.591 231 L HA 0.426 4.766 4.340 0.000 0.000 0.228 231 L C 0.126 177.006 176.870 0.017 0.000 1.133 231 L CA 0.635 55.488 54.840 0.022 0.000 0.880 231 L CB -0.305 41.776 42.059 0.035 0.000 1.033 231 L HN 0.094 nan 8.230 nan 0.000 0.450 232 I N -0.609 119.960 120.570 -0.002 0.000 2.619 232 I HA 0.169 4.340 4.170 0.000 0.000 0.292 232 I C -0.569 175.505 176.117 -0.071 0.000 1.100 232 I CA -0.613 60.672 61.300 -0.025 0.000 1.043 232 I CB 2.302 40.292 38.000 -0.017 0.000 1.239 232 I HN -0.015 nan 8.210 nan 0.000 0.420 233 N N 3.717 122.373 118.700 -0.073 0.000 2.497 233 N HA 0.281 5.021 4.740 0.000 0.000 0.268 233 N C -0.840 174.591 175.510 -0.131 0.000 1.171 233 N CA -0.073 52.931 53.050 -0.078 0.000 0.948 233 N CB 1.665 40.121 38.487 -0.052 0.000 1.069 233 N HN 0.246 nan 8.380 nan 0.000 0.460 234 V N 2.172 122.022 119.914 -0.107 0.000 2.380 234 V HA 0.233 4.353 4.120 0.000 0.000 0.286 234 V C -1.124 174.941 176.094 -0.049 0.000 1.015 234 V CA -0.800 61.427 62.300 -0.123 0.000 0.834 234 V CB 1.334 33.077 31.823 -0.133 0.000 1.009 234 V HN 0.644 nan 8.190 nan 0.000 0.428 235 D N 4.538 124.908 120.400 -0.049 0.000 2.317 235 D HA 0.166 4.806 4.640 0.000 0.000 0.252 235 D C 0.724 177.041 176.300 0.028 0.000 1.174 235 D CA -0.169 53.832 54.000 0.002 0.000 0.866 235 D CB 1.027 41.816 40.800 -0.018 0.000 1.127 235 D HN 0.502 nan 8.370 nan 0.000 0.467 236 F N 4.261 124.188 119.950 -0.038 0.000 2.202 236 F HA -0.168 4.359 4.527 0.000 0.000 0.301 236 F C 1.976 177.761 175.800 -0.025 0.000 1.082 236 F CA 1.621 59.604 58.000 -0.028 0.000 1.313 236 F CB -0.137 38.849 39.000 -0.023 0.000 1.024 236 F HN 0.502 nan 8.300 nan 0.000 0.495 237 A N -0.127 122.663 122.820 -0.049 0.000 1.933 237 A HA -0.190 4.131 4.320 0.000 0.000 0.218 237 A C 2.034 179.510 177.584 -0.180 0.000 1.175 237 A CA 2.004 53.972 52.037 -0.114 0.000 0.628 237 A CB -0.834 18.155 19.000 -0.018 0.000 0.814 237 A HN 0.424 nan 8.150 nan 0.000 0.444 238 D N -0.290 120.025 120.400 -0.142 0.000 2.091 238 D HA -0.072 4.569 4.640 0.000 0.000 0.199 238 D C 2.160 178.358 176.300 -0.171 0.000 0.980 238 D CA 1.378 55.303 54.000 -0.125 0.000 0.831 238 D CB -0.667 40.079 40.800 -0.090 0.000 0.987 238 D HN 0.177 nan 8.370 nan 0.000 0.460 239 V N 1.354 121.140 119.914 -0.214 0.000 2.278 239 V HA -0.302 3.818 4.120 0.000 0.000 0.251 239 V C 2.490 178.402 176.094 -0.303 0.000 1.062 239 V CA 1.945 64.111 62.300 -0.223 0.000 1.038 239 V CB -0.478 31.209 31.823 -0.227 0.000 0.646 239 V HN 0.175 nan 8.190 nan 0.000 0.447 240 K N -0.206 119.883 120.400 -0.519 0.000 2.147 240 K HA -0.161 4.160 4.320 0.000 0.000 0.205 240 K C 2.115 178.573 176.600 -0.237 0.000 1.049 240 K CA 1.463 57.471 56.287 -0.464 0.000 0.936 240 K CB -0.289 31.838 32.500 -0.620 0.000 0.722 240 K HN 0.472 nan 8.250 nan 0.000 0.446 241 A N 0.213 122.919 122.820 -0.190 0.000 1.872 241 A HA -0.065 4.255 4.320 0.000 0.000 0.214 241 A C 2.182 179.714 177.584 -0.087 0.000 1.187 241 A CA 1.390 53.359 52.037 -0.113 0.000 0.614 241 A CB -0.541 18.406 19.000 -0.089 0.000 0.826 241 A HN 0.133 nan 8.150 nan 0.000 0.442 242 V N 0.107 119.970 119.914 -0.086 0.000 2.407 242 V HA -0.263 3.857 4.120 0.000 0.000 0.248 242 V C 2.483 178.545 176.094 -0.053 0.000 1.055 242 V CA 2.098 64.365 62.300 -0.054 0.000 1.049 242 V CB -0.719 31.081 31.823 -0.039 0.000 0.662 242 V HN 0.548 nan 8.190 nan 0.000 0.455 243 M N -0.461 119.092 119.600 -0.078 0.000 2.541 243 M HA 0.045 4.525 4.480 0.000 0.000 0.252 243 M C 1.731 177.988 176.300 -0.071 0.000 1.125 243 M CA 0.436 55.695 55.300 -0.068 0.000 1.091 243 M CB -0.435 32.115 32.600 -0.082 0.000 1.420 243 M HN 0.309 nan 8.290 nan 0.000 0.486 244 N N 2.387 121.039 118.700 -0.080 0.000 2.519 244 N HA -0.101 4.639 4.740 0.000 0.000 0.186 244 N C 0.268 175.751 175.510 -0.045 0.000 1.062 244 N CA 0.987 53.997 53.050 -0.066 0.000 0.910 244 N CB -0.072 38.374 38.487 -0.068 0.000 0.958 244 N HN 0.678 nan 8.380 nan 0.000 0.445 245 N N -2.977 115.699 118.700 -0.040 0.000 2.390 245 N HA 0.141 4.882 4.740 0.000 0.000 0.259 245 N C 1.181 176.677 175.510 -0.023 0.000 1.395 245 N CA -0.173 52.859 53.050 -0.029 0.000 0.852 245 N CB 0.134 38.604 38.487 -0.027 0.000 1.371 245 N HN -0.182 nan 8.380 nan 0.000 0.491 246 G N 0.474 109.260 108.800 -0.022 0.000 2.499 246 G HA2 0.080 4.040 3.960 0.000 0.000 0.221 246 G HA3 0.080 4.040 3.960 0.000 0.000 0.221 246 G C 1.195 176.092 174.900 -0.004 0.000 1.109 246 G CA 0.801 45.896 45.100 -0.010 0.000 0.749 246 G HN 0.708 nan 8.290 nan 0.000 0.568 247 G N -0.227 108.568 108.800 -0.009 0.000 2.634 247 G HA2 -0.331 3.630 3.960 0.000 0.000 0.318 247 G HA3 -0.331 3.630 3.960 0.000 0.000 0.318 247 G C 0.196 175.102 174.900 0.010 0.000 1.207 247 G CA 0.372 45.466 45.100 -0.009 0.000 0.987 247 G HN 0.736 nan 8.290 nan 0.000 0.547 248 L N 1.357 122.589 121.223 0.015 0.000 2.317 248 L HA 0.696 5.036 4.340 0.000 0.000 0.281 248 L C 0.487 177.382 176.870 0.041 0.000 1.024 248 L CA -0.141 54.727 54.840 0.047 0.000 0.810 248 L CB 1.405 43.500 42.059 0.059 0.000 1.240 248 L HN 1.252 nan 8.230 nan 0.000 0.427 249 A N 5.603 128.453 122.820 0.051 0.000 2.498 249 A HA 0.852 5.172 4.320 0.000 0.000 0.298 249 A C -1.147 176.464 177.584 0.044 0.000 1.075 249 A CA -0.661 51.402 52.037 0.043 0.000 0.714 249 A CB 2.220 21.246 19.000 0.043 0.000 1.299 249 A HN 0.714 nan 8.150 nan 0.000 0.407 250 M N 2.472 122.094 119.600 0.037 0.000 2.386 250 M HA 0.394 4.874 4.480 0.000 0.000 0.293 250 M C -0.376 175.940 176.300 0.026 0.000 1.120 250 M CA -0.338 54.980 55.300 0.029 0.000 0.909 250 M CB 2.012 34.628 32.600 0.026 0.000 1.661 250 M HN 0.814 nan 8.290 nan 0.000 0.452 251 I N 1.270 121.852 120.570 0.020 0.000 3.138 251 I HA 0.618 4.788 4.170 0.000 0.000 0.288 251 I C -0.002 176.122 176.117 0.012 0.000 1.148 251 I CA 0.337 61.648 61.300 0.018 0.000 1.315 251 I CB 1.032 39.037 38.000 0.009 0.000 1.426 251 I HN 0.805 nan 8.210 nan 0.000 0.615 252 G N 6.968 115.775 108.800 0.011 0.000 2.552 252 G HA2 0.515 4.476 3.960 0.000 0.000 0.288 252 G HA3 0.515 4.476 3.960 0.000 0.000 0.288 252 G C -1.360 173.543 174.900 0.005 0.000 1.358 252 G CA -0.506 44.599 45.100 0.008 0.000 1.305 252 G HN 0.546 nan 8.290 nan 0.000 0.602 253 I N 1.274 121.844 120.570 -0.001 0.000 2.646 253 I HA 0.897 5.067 4.170 0.000 0.000 0.299 253 I C 0.570 176.685 176.117 -0.004 0.000 1.036 253 I CA -0.982 60.315 61.300 -0.005 0.000 1.074 253 I CB 2.574 40.566 38.000 -0.012 0.000 1.258 253 I HN 0.682 nan 8.210 nan 0.000 0.430 254 G N 3.218 112.014 108.800 -0.006 0.000 2.623 254 G HA2 0.742 4.702 3.960 0.000 0.000 0.290 254 G HA3 0.742 4.702 3.960 0.000 0.000 0.290 254 G C -1.984 172.912 174.900 -0.007 0.000 1.437 254 G CA -0.507 44.591 45.100 -0.003 0.000 0.798 254 G HN 0.765 nan 8.290 nan 0.000 0.488 255 E N -1.473 118.725 120.200 -0.004 0.000 2.401 255 E HA 0.580 4.931 4.350 0.000 0.000 0.283 255 E C -1.430 175.169 176.600 -0.001 0.000 1.053 255 E CA -0.948 55.449 56.400 -0.005 0.000 0.842 255 E CB 1.456 31.150 29.700 -0.010 0.000 1.222 255 E HN 0.720 nan 8.360 nan 0.000 0.429 256 S N 0.039 115.739 115.700 -0.001 0.000 2.627 256 S HA 0.384 4.854 4.470 0.000 0.000 0.283 256 S C -0.987 173.614 174.600 0.001 0.000 1.127 256 S CA -0.377 57.823 58.200 0.001 0.000 0.863 256 S CB 2.005 65.207 63.200 0.002 0.000 1.121 256 S HN 0.685 nan 8.310 nan 0.000 0.479 257 D N 0.781 121.182 120.400 0.002 0.000 2.473 257 D HA 0.160 4.800 4.640 0.000 0.000 0.242 257 D C 1.072 177.373 176.300 0.003 0.000 1.106 257 D CA 0.584 54.585 54.000 0.002 0.000 0.854 257 D CB 0.472 41.273 40.800 0.002 0.000 1.192 257 D HN 0.601 nan 8.370 nan 0.000 0.503 258 S N 0.353 116.055 115.700 0.003 0.000 2.629 258 S HA 0.025 4.496 4.470 0.000 0.000 0.250 258 S C 1.418 176.020 174.600 0.003 0.000 1.318 258 S CA -0.073 58.129 58.200 0.003 0.000 0.970 258 S CB 0.542 63.744 63.200 0.003 0.000 0.996 258 S HN -0.040 nan 8.310 nan 0.000 0.563 259 E N 1.474 121.676 120.200 0.003 0.000 2.028 259 E HA -0.080 4.270 4.350 0.000 0.000 0.191 259 E C 1.035 177.637 176.600 0.004 0.000 0.988 259 E CA 1.131 57.533 56.400 0.003 0.000 0.799 259 E CB -0.267 29.435 29.700 0.003 0.000 0.755 259 E HN 0.741 nan 8.360 nan 0.000 0.447 260 K N 2.405 122.807 120.400 0.003 0.000 3.129 260 K HA 0.128 4.449 4.320 0.000 0.000 0.241 260 K C 1.148 177.750 176.600 0.004 0.000 1.239 260 K CA -0.146 56.143 56.287 0.003 0.000 1.239 260 K CB -0.086 32.416 32.500 0.002 0.000 1.347 260 K HN 0.102 nan 8.250 nan 0.000 0.435 261 R N 0.175 120.677 120.500 0.004 0.000 2.113 261 R HA -0.241 4.099 4.340 0.000 0.000 0.244 261 R C 1.850 178.153 176.300 0.005 0.000 1.142 261 R CA 1.784 57.886 56.100 0.004 0.000 0.953 261 R CB -1.022 29.281 30.300 0.005 0.000 0.860 261 R HN 0.229 nan 8.270 nan 0.000 0.438 262 A N 1.719 124.543 122.820 0.006 0.000 1.851 262 A HA -0.227 4.094 4.320 0.000 0.000 0.216 262 A C 2.270 179.857 177.584 0.005 0.000 1.195 262 A CA 1.915 53.957 52.037 0.007 0.000 0.622 262 A CB -0.586 18.419 19.000 0.009 0.000 0.831 262 A HN 0.412 nan 8.150 nan 0.000 0.444 263 K N -0.123 120.278 120.400 0.003 0.000 2.160 263 K HA -0.187 4.133 4.320 0.000 0.000 0.206 263 K C 1.898 178.499 176.600 0.001 0.000 1.047 263 K CA 2.012 58.299 56.287 0.001 0.000 0.930 263 K CB -0.156 32.344 32.500 0.000 0.000 0.720 263 K HN 0.685 nan 8.250 nan 0.000 0.450 264 E N -0.863 119.338 120.200 0.003 0.000 2.030 264 E HA -0.052 4.298 4.350 0.000 0.000 0.189 264 E C 2.010 178.612 176.600 0.003 0.000 0.974 264 E CA 0.655 57.057 56.400 0.003 0.000 0.807 264 E CB -0.198 29.503 29.700 0.003 0.000 0.771 264 E HN 0.375 nan 8.360 nan 0.000 0.451 265 A N 1.218 124.040 122.820 0.003 0.000 1.909 265 A HA -0.271 4.049 4.320 0.000 0.000 0.221 265 A C 2.486 180.072 177.584 0.004 0.000 1.223 265 A CA 2.183 54.222 52.037 0.003 0.000 0.658 265 A CB -1.209 17.793 19.000 0.003 0.000 0.831 265 A HN 0.155 nan 8.150 nan 0.000 0.462 266 V N 0.840 120.757 119.914 0.005 0.000 2.219 266 V HA -0.317 3.803 4.120 0.000 0.000 0.248 266 V C 2.896 178.993 176.094 0.004 0.000 1.053 266 V CA 2.728 65.031 62.300 0.005 0.000 1.009 266 V CB -1.467 30.358 31.823 0.002 0.000 0.636 266 V HN 0.803 nan 8.190 nan 0.000 0.445 267 S N -0.181 115.520 115.700 0.003 0.000 2.419 267 S HA -0.285 4.185 4.470 0.000 0.000 0.235 267 S C 1.936 176.539 174.600 0.005 0.000 1.019 267 S CA 2.108 60.310 58.200 0.003 0.000 0.982 267 S CB -0.673 62.528 63.200 0.002 0.000 0.789 267 S HN 0.565 nan 8.310 nan 0.000 0.490 268 M N 1.823 121.426 119.600 0.005 0.000 2.077 268 M HA 0.009 4.489 4.480 0.000 0.000 0.261 268 M C 2.380 178.683 176.300 0.006 0.000 1.070 268 M CA 1.694 56.998 55.300 0.005 0.000 1.125 268 M CB -0.501 32.101 32.600 0.004 0.000 1.339 268 M HN 0.440 nan 8.290 nan 0.000 0.409 269 A N 0.317 123.140 122.820 0.005 0.000 1.972 269 A HA -0.110 4.210 4.320 0.000 0.000 0.219 269 A C 1.985 179.574 177.584 0.008 0.000 1.169 269 A CA 1.235 53.276 52.037 0.006 0.000 0.635 269 A CB -0.992 18.013 19.000 0.008 0.000 0.810 269 A HN 0.602 nan 8.150 nan 0.000 0.446 270 L N -0.934 120.294 121.223 0.008 0.000 2.362 270 L HA -0.109 4.231 4.340 0.000 0.000 0.219 270 L C 1.408 178.283 176.870 0.008 0.000 1.134 270 L CA 1.093 55.938 54.840 0.008 0.000 0.807 270 L CB -0.289 41.774 42.059 0.006 0.000 0.927 270 L HN 0.502 nan 8.230 nan 0.000 0.447 271 N N -1.768 116.937 118.700 0.008 0.000 2.184 271 N HA 0.005 4.745 4.740 0.000 0.000 0.206 271 N C 0.345 175.861 175.510 0.010 0.000 1.151 271 N CA -0.243 52.812 53.050 0.009 0.000 0.878 271 N CB 0.655 39.147 38.487 0.009 0.000 1.014 271 N HN -0.022 nan 8.380 nan 0.000 0.512 272 S N 2.436 118.141 115.700 0.009 0.000 2.546 272 S HA 0.054 4.525 4.470 0.000 0.000 0.290 272 S C -1.230 173.375 174.600 0.008 0.000 1.262 272 S CA -1.317 56.888 58.200 0.007 0.000 1.083 272 S CB 0.606 63.808 63.200 0.004 0.000 0.859 272 S HN 0.170 nan 8.310 nan 0.000 0.495 273 P HA -0.112 nan 4.420 nan 0.000 0.224 273 P C 1.188 178.490 177.300 0.004 0.000 1.142 273 P CA 0.554 63.661 63.100 0.012 0.000 0.778 273 P CB 0.086 31.799 31.700 0.021 0.000 0.764 274 L N -1.073 120.148 121.223 -0.004 0.000 2.275 274 L HA -0.035 4.306 4.340 0.000 0.000 0.215 274 L C 1.919 178.787 176.870 -0.004 0.000 1.119 274 L CA 1.146 55.978 54.840 -0.013 0.000 0.790 274 L CB -1.065 40.982 42.059 -0.019 0.000 0.919 274 L HN -0.021 nan 8.230 nan 0.000 0.443 275 L N 0.433 121.658 121.223 0.004 0.000 2.583 275 L HA 0.045 4.386 4.340 0.000 0.000 0.239 275 L C -0.011 176.866 176.870 0.012 0.000 1.347 275 L CA -0.222 54.624 54.840 0.010 0.000 1.246 275 L CB -0.380 41.686 42.059 0.011 0.000 1.496 275 L HN 0.066 nan 8.230 nan 0.000 0.413 276 D N 1.498 121.905 120.400 0.012 0.000 2.600 276 D HA 0.264 4.905 4.640 0.000 0.000 0.226 276 D C -0.636 175.678 176.300 0.022 0.000 1.119 276 D CA 0.346 54.356 54.000 0.016 0.000 1.051 276 D CB 0.234 41.042 40.800 0.014 0.000 1.106 276 D HN 0.062 nan 8.370 nan 0.000 0.491 277 V N 1.836 121.763 119.914 0.021 0.000 3.216 277 V HA 0.165 4.285 4.120 0.000 0.000 0.273 277 V C -1.665 174.439 176.094 0.017 0.000 1.664 277 V CA -1.089 61.224 62.300 0.022 0.000 1.021 277 V CB 2.124 33.963 31.823 0.026 0.000 1.250 277 V HN 0.155 nan 8.190 nan 0.000 0.463 278 D N 2.976 123.384 120.400 0.014 0.000 2.350 278 D HA 0.379 5.019 4.640 0.000 0.000 0.249 278 D C 0.780 177.086 176.300 0.010 0.000 1.119 278 D CA 0.290 54.296 54.000 0.011 0.000 0.886 278 D CB 1.318 42.123 40.800 0.008 0.000 1.195 278 D HN 0.706 nan 8.370 nan 0.000 0.437 279 I N -0.286 120.289 120.570 0.008 0.000 3.947 279 I HA 0.227 4.397 4.170 0.000 0.000 0.327 279 I C 0.765 176.885 176.117 0.005 0.000 1.519 279 I CA -0.464 60.841 61.300 0.008 0.000 1.122 279 I CB 0.391 38.397 38.000 0.010 0.000 1.146 279 I HN 0.074 nan 8.210 nan 0.000 0.442 280 D N 2.044 122.446 120.400 0.003 0.000 2.182 280 D HA -0.137 4.503 4.640 0.000 0.000 0.201 280 D C 1.738 178.038 176.300 0.000 0.000 0.986 280 D CA 1.429 55.429 54.000 0.001 0.000 0.847 280 D CB -0.454 40.347 40.800 0.001 0.000 0.942 280 D HN 0.384 nan 8.370 nan 0.000 0.467 281 G N -0.540 108.260 108.800 0.000 0.000 3.814 281 G HA2 0.469 4.430 3.960 0.000 0.000 0.293 281 G HA3 0.469 4.430 3.960 0.000 0.000 0.293 281 G C 0.134 175.033 174.900 -0.000 0.000 1.243 281 G CA -0.149 44.950 45.100 -0.001 0.000 1.053 281 G HN 0.502 nan 8.290 nan 0.000 0.562 282 A N -0.200 122.621 122.820 0.002 0.000 2.520 282 A HA 0.445 4.765 4.320 0.000 0.000 0.245 282 A C 1.419 179.005 177.584 0.003 0.000 1.072 282 A CA 0.599 52.639 52.037 0.005 0.000 0.761 282 A CB 0.575 19.580 19.000 0.008 0.000 1.004 282 A HN 0.210 nan 8.150 nan 0.000 0.499 283 T N 1.661 116.216 114.554 0.002 0.000 2.976 283 T HA 0.364 4.714 4.350 0.000 0.000 0.257 283 T C 0.875 175.577 174.700 0.004 0.000 1.051 283 T CA 1.462 63.562 62.100 0.000 0.000 1.141 283 T CB -0.154 68.711 68.868 -0.004 0.000 0.881 283 T HN 1.156 nan 8.240 nan 0.000 0.461 284 G N -0.487 108.318 108.800 0.008 0.000 2.684 284 G HA2 0.706 4.666 3.960 0.000 0.000 0.290 284 G HA3 0.706 4.666 3.960 0.000 0.000 0.290 284 G C -1.872 173.042 174.900 0.023 0.000 1.425 284 G CA -0.071 45.038 45.100 0.014 0.000 0.822 284 G HN 0.418 nan 8.290 nan 0.000 0.482 285 A N -0.507 122.333 122.820 0.034 0.000 2.604 285 A HA 0.783 5.104 4.320 0.000 0.000 0.295 285 A C -1.784 175.839 177.584 0.065 0.000 1.067 285 A CA -0.513 51.551 52.037 0.046 0.000 0.683 285 A CB 1.373 20.399 19.000 0.044 0.000 1.281 285 A HN 0.911 nan 8.150 nan 0.000 0.407 286 L N 1.913 123.179 121.223 0.071 0.000 2.372 286 L HA 0.608 4.948 4.340 0.000 0.000 0.274 286 L C -1.022 175.912 176.870 0.107 0.000 0.988 286 L CA -0.081 54.811 54.840 0.087 0.000 0.833 286 L CB 1.615 43.722 42.059 0.080 0.000 1.236 286 L HN 0.618 nan 8.230 nan 0.000 0.410 287 I N 2.370 123.023 120.570 0.138 0.000 2.436 287 I HA 0.336 4.506 4.170 0.000 0.000 0.289 287 I C -0.667 175.571 176.117 0.203 0.000 1.010 287 I CA -0.523 60.870 61.300 0.154 0.000 1.098 287 I CB 1.844 39.934 38.000 0.150 0.000 1.266 287 I HN 0.622 nan 8.210 nan 0.000 0.434 288 H N 5.950 125.059 119.070 0.065 0.000 2.991 288 H HA 0.479 5.035 4.556 0.000 0.000 0.304 288 H C -1.616 173.738 175.328 0.044 0.000 1.040 288 H CA -0.694 55.386 56.048 0.054 0.000 1.410 288 H CB 1.891 31.673 29.762 0.034 0.000 1.529 288 H HN 0.414 nan 8.280 nan 0.000 0.509 289 V N 7.465 127.563 119.914 0.308 0.000 2.407 289 V HA 0.399 4.519 4.120 0.000 0.000 0.278 289 V C -0.617 175.572 176.094 0.159 0.000 1.037 289 V CA -0.188 62.206 62.300 0.158 0.000 0.900 289 V CB 0.841 32.733 31.823 0.116 0.000 0.983 289 V HN 0.793 nan 8.190 nan 0.000 0.459 290 M N 6.297 125.914 119.600 0.028 0.000 2.598 290 M HA 0.918 5.398 4.480 0.000 0.000 0.317 290 M C 0.166 176.470 176.300 0.006 0.000 1.179 290 M CA -0.251 55.051 55.300 0.003 0.000 0.936 290 M CB 2.294 34.821 32.600 -0.123 0.000 1.713 290 M HN 0.816 nan 8.290 nan 0.000 0.460 291 G N 0.731 109.540 108.800 0.015 0.000 2.430 291 G HA2 0.569 4.529 3.960 0.000 0.000 0.300 291 G HA3 0.569 4.529 3.960 0.000 0.000 0.300 291 G C -3.437 171.471 174.900 0.013 0.000 1.330 291 G CA -0.825 44.282 45.100 0.011 0.000 0.813 291 G HN 0.396 nan 8.290 nan 0.000 0.487 292 P HA 0.159 nan 4.420 nan 0.000 0.274 292 P C 0.401 177.709 177.300 0.014 0.000 1.264 292 P CA 0.071 63.177 63.100 0.010 0.000 0.795 292 P CB 1.198 32.903 31.700 0.008 0.000 1.064 293 E N 0.686 120.894 120.200 0.012 0.000 2.160 293 E HA -0.226 4.124 4.350 0.000 0.000 0.195 293 E C 0.838 177.446 176.600 0.014 0.000 0.991 293 E CA 1.909 58.317 56.400 0.013 0.000 0.810 293 E CB -1.009 28.697 29.700 0.010 0.000 0.742 293 E HN 0.453 nan 8.360 nan 0.000 0.466 294 D N -0.327 120.081 120.400 0.013 0.000 2.344 294 D HA -0.013 4.627 4.640 0.000 0.000 0.242 294 D C 0.174 176.484 176.300 0.016 0.000 1.159 294 D CA -0.307 53.700 54.000 0.013 0.000 0.859 294 D CB -0.428 40.378 40.800 0.010 0.000 0.925 294 D HN 0.160 nan 8.370 nan 0.000 0.510 295 L N 1.786 123.020 121.223 0.019 0.000 2.453 295 L HA 0.314 4.655 4.340 0.000 0.000 0.272 295 L C 0.215 177.100 176.870 0.025 0.000 1.182 295 L CA 0.335 55.189 54.840 0.024 0.000 0.858 295 L CB 0.674 42.752 42.059 0.031 0.000 1.120 295 L HN 0.256 nan 8.230 nan 0.000 0.474 296 T N 1.802 116.372 114.554 0.025 0.000 2.924 296 T HA 0.409 4.759 4.350 0.000 0.000 0.291 296 T C 1.224 175.942 174.700 0.031 0.000 1.045 296 T CA -0.824 61.291 62.100 0.025 0.000 1.015 296 T CB 0.860 69.740 68.868 0.019 0.000 1.103 296 T HN 0.566 nan 8.240 nan 0.000 0.496 297 L N 0.551 121.792 121.223 0.031 0.000 2.131 297 L HA -0.066 4.274 4.340 0.000 0.000 0.210 297 L C 2.832 179.720 176.870 0.030 0.000 1.092 297 L CA 1.227 56.090 54.840 0.038 0.000 0.759 297 L CB -0.408 41.672 42.059 0.036 0.000 0.903 297 L HN 0.722 nan 8.230 nan 0.000 0.435 298 E N 0.281 120.494 120.200 0.021 0.000 2.017 298 E HA -0.232 4.118 4.350 0.000 0.000 0.193 298 E C 2.007 178.614 176.600 0.012 0.000 0.997 298 E CA 1.242 57.650 56.400 0.013 0.000 0.804 298 E CB -0.223 29.483 29.700 0.010 0.000 0.757 298 E HN 0.517 nan 8.360 nan 0.000 0.448 299 E N 0.898 121.107 120.200 0.015 0.000 2.048 299 E HA -0.237 4.113 4.350 0.000 0.000 0.202 299 E C 2.056 178.667 176.600 0.019 0.000 1.021 299 E CA 1.503 57.912 56.400 0.016 0.000 0.825 299 E CB -0.238 29.474 29.700 0.020 0.000 0.756 299 E HN 0.255 nan 8.360 nan 0.000 0.454 300 A N 1.208 124.049 122.820 0.034 0.000 1.884 300 A HA -0.321 3.999 4.320 0.000 0.000 0.219 300 A C 2.112 179.707 177.584 0.019 0.000 1.197 300 A CA 2.215 54.282 52.037 0.050 0.000 0.637 300 A CB -0.647 18.402 19.000 0.080 0.000 0.827 300 A HN 0.069 nan 8.150 nan 0.000 0.450 301 R N -0.203 120.301 120.500 0.007 0.000 2.096 301 R HA -0.212 4.129 4.340 0.000 0.000 0.240 301 R C 2.141 178.412 176.300 -0.048 0.000 1.139 301 R CA 2.182 58.261 56.100 -0.033 0.000 0.952 301 R CB -0.561 29.730 30.300 -0.015 0.000 0.854 301 R HN 0.648 nan 8.270 nan 0.000 0.436 302 E N -0.477 119.709 120.200 -0.023 0.000 2.049 302 E HA -0.165 4.185 4.350 0.000 0.000 0.198 302 E C 1.823 178.406 176.600 -0.027 0.000 1.007 302 E CA 2.060 58.447 56.400 -0.022 0.000 0.809 302 E CB -0.405 29.290 29.700 -0.008 0.000 0.749 302 E HN 0.171 nan 8.360 nan 0.000 0.450 303 V N -0.097 119.806 119.914 -0.017 0.000 2.233 303 V HA -0.301 3.819 4.120 0.000 0.000 0.247 303 V C 2.497 178.567 176.094 -0.040 0.000 1.050 303 V CA 1.846 64.139 62.300 -0.013 0.000 1.010 303 V CB -0.695 31.136 31.823 0.013 0.000 0.637 303 V HN 0.235 nan 8.190 nan 0.000 0.444 304 V N 0.251 120.116 119.914 -0.082 0.000 2.282 304 V HA -0.325 3.795 4.120 0.000 0.000 0.249 304 V C 2.718 178.727 176.094 -0.142 0.000 1.057 304 V CA 2.182 64.381 62.300 -0.168 0.000 1.032 304 V CB -1.397 30.183 31.823 -0.405 0.000 0.645 304 V HN 0.584 nan 8.190 nan 0.000 0.447 305 A N 0.063 122.811 122.820 -0.119 0.000 1.859 305 A HA -0.335 3.985 4.320 0.000 0.000 0.218 305 A C 2.406 179.955 177.584 -0.058 0.000 1.209 305 A CA 3.169 55.155 52.037 -0.085 0.000 0.639 305 A CB -1.422 17.541 19.000 -0.061 0.000 0.835 305 A HN 0.519 nan 8.150 nan 0.000 0.450 306 T N -0.387 114.141 114.554 -0.043 0.000 2.635 306 T HA -0.169 4.181 4.350 0.000 0.000 0.267 306 T C 1.849 176.534 174.700 -0.025 0.000 1.040 306 T CA 1.835 63.918 62.100 -0.027 0.000 1.156 306 T CB -0.657 68.200 68.868 -0.018 0.000 0.863 306 T HN 0.161 nan 8.240 nan 0.000 0.430 307 V N 1.132 121.030 119.914 -0.027 0.000 2.490 307 V HA -0.162 3.958 4.120 0.000 0.000 0.250 307 V C 2.698 178.778 176.094 -0.023 0.000 1.061 307 V CA 1.812 64.102 62.300 -0.018 0.000 1.064 307 V CB -0.776 31.041 31.823 -0.010 0.000 0.670 307 V HN 0.505 nan 8.190 nan 0.000 0.461 308 S N 1.072 116.747 115.700 -0.042 0.000 2.353 308 S HA -0.199 4.271 4.470 0.000 0.000 0.222 308 S C 2.123 176.707 174.600 -0.026 0.000 1.035 308 S CA 2.021 60.196 58.200 -0.041 0.000 1.025 308 S CB -0.442 62.718 63.200 -0.067 0.000 0.902 308 S HN 0.807 nan 8.310 nan 0.000 0.440 309 S N 0.624 116.309 115.700 -0.026 0.000 2.641 309 S HA 0.107 4.577 4.470 0.000 0.000 0.239 309 S C 1.375 175.968 174.600 -0.012 0.000 0.972 309 S CA 0.120 58.309 58.200 -0.018 0.000 0.954 309 S CB -0.299 62.890 63.200 -0.018 0.000 0.767 309 S HN 0.424 nan 8.310 nan 0.000 0.539 310 R N 0.061 120.555 120.500 -0.010 0.000 2.316 310 R HA 0.453 4.793 4.340 0.000 0.000 0.201 310 R C 0.600 176.899 176.300 -0.003 0.000 0.888 310 R CA 0.101 56.198 56.100 -0.005 0.000 1.041 310 R CB -0.327 29.971 30.300 -0.003 0.000 1.115 310 R HN 0.425 nan 8.270 nan 0.000 0.559 311 L N 0.758 121.979 121.223 -0.003 0.000 2.472 311 L HA 0.319 4.659 4.340 0.000 0.000 0.256 311 L C 0.409 177.278 176.870 -0.002 0.000 1.111 311 L CA -1.043 53.797 54.840 -0.000 0.000 0.800 311 L CB 0.208 42.268 42.059 0.003 0.000 1.286 311 L HN -0.094 nan 8.230 nan 0.000 0.479 312 D N 1.258 121.657 120.400 -0.001 0.000 2.571 312 D HA -0.048 4.593 4.640 0.000 0.000 0.231 312 D C -1.452 174.847 176.300 -0.003 0.000 1.133 312 D CA -0.745 53.254 54.000 -0.002 0.000 0.862 312 D CB 0.758 41.557 40.800 -0.002 0.000 1.179 312 D HN 0.285 nan 8.370 nan 0.000 0.474 313 P HA -0.161 nan 4.420 nan 0.000 0.226 313 P C -0.227 177.071 177.300 -0.003 0.000 1.146 313 P CA 1.183 64.280 63.100 -0.005 0.000 0.773 313 P CB 0.124 31.821 31.700 -0.005 0.000 0.772 314 N N -0.825 117.874 118.700 -0.001 0.000 2.351 314 N HA 0.282 5.022 4.740 0.000 0.000 0.254 314 N C -0.228 175.283 175.510 0.003 0.000 1.241 314 N CA -0.426 52.625 53.050 0.001 0.000 0.883 314 N CB 0.565 39.052 38.487 -0.000 0.000 1.202 314 N HN 0.038 nan 8.380 nan 0.000 0.512 315 A N 1.057 123.880 122.820 0.004 0.000 2.401 315 A HA 0.254 4.574 4.320 0.000 0.000 0.259 315 A C 0.709 178.302 177.584 0.016 0.000 1.103 315 A CA -0.210 51.831 52.037 0.008 0.000 0.789 315 A CB 0.164 19.169 19.000 0.007 0.000 1.035 315 A HN 0.250 nan 8.150 nan 0.000 0.491 316 T N 0.784 115.348 114.554 0.017 0.000 2.779 316 T HA 0.551 4.902 4.350 0.000 0.000 0.296 316 T C -0.259 174.468 174.700 0.044 0.000 0.938 316 T CA -0.021 62.095 62.100 0.026 0.000 1.119 316 T CB -0.384 68.490 68.868 0.010 0.000 0.891 316 T HN 0.356 nan 8.240 nan 0.000 0.526 317 I N 4.561 125.180 120.570 0.082 0.000 2.418 317 I HA 0.364 4.535 4.170 0.000 0.000 0.287 317 I C -0.348 175.901 176.117 0.219 0.000 1.008 317 I CA -1.217 60.162 61.300 0.132 0.000 1.104 317 I CB 1.691 39.764 38.000 0.122 0.000 1.264 317 I HN 0.477 nan 8.210 nan 0.000 0.438 318 I N 7.437 128.095 120.570 0.147 0.000 2.336 318 I HA 0.331 4.501 4.170 0.000 0.000 0.292 318 I C -0.663 175.533 176.117 0.132 0.000 0.991 318 I CA -0.586 60.744 61.300 0.051 0.000 1.227 318 I CB 0.796 38.791 38.000 -0.009 0.000 1.366 318 I HN 0.454 nan 8.210 nan 0.000 0.466 319 Y N 3.304 123.600 120.300 -0.007 0.000 2.504 319 Y HA 0.886 5.436 4.550 0.000 0.000 0.344 319 Y C -0.272 175.614 175.900 -0.023 0.000 1.023 319 Y CA -1.314 56.785 58.100 -0.003 0.000 1.020 319 Y CB 1.488 39.954 38.460 0.009 0.000 1.282 319 Y HN 0.627 nan 8.280 nan 0.000 0.454 320 G N 0.248 109.062 108.800 0.022 0.000 2.694 320 G HA2 0.777 4.737 3.960 0.000 0.000 0.290 320 G HA3 0.777 4.737 3.960 0.000 0.000 0.290 320 G C -1.981 172.947 174.900 0.047 0.000 1.386 320 G CA -0.845 44.214 45.100 -0.068 0.000 0.872 320 G HN 1.296 nan 8.290 nan 0.000 0.475 321 A N 0.524 123.368 122.820 0.041 0.000 2.499 321 A HA 0.768 5.089 4.320 0.000 0.000 0.280 321 A C 0.042 177.683 177.584 0.094 0.000 1.135 321 A CA 0.030 52.136 52.037 0.114 0.000 0.744 321 A CB 0.797 19.861 19.000 0.106 0.000 1.213 321 A HN 1.564 nan 8.150 nan 0.000 0.434 322 T N -0.416 114.239 114.554 0.169 0.000 2.948 322 T HA 0.799 5.149 4.350 0.000 0.000 0.285 322 T C -0.145 174.617 174.700 0.103 0.000 1.019 322 T CA -0.724 61.458 62.100 0.137 0.000 1.013 322 T CB 0.972 69.961 68.868 0.202 0.000 1.117 322 T HN 0.404 nan 8.240 nan 0.000 0.533 323 I N 1.488 122.099 120.570 0.067 0.000 2.336 323 I HA 0.299 4.469 4.170 0.000 0.000 0.292 323 I C -0.427 175.710 176.117 0.034 0.000 0.991 323 I CA -0.685 60.640 61.300 0.042 0.000 1.227 323 I CB 1.381 39.400 38.000 0.030 0.000 1.366 323 I HN 0.759 nan 8.210 nan 0.000 0.466 324 D N 4.911 125.323 120.400 0.020 0.000 2.313 324 D HA 0.068 4.708 4.640 0.000 0.000 0.239 324 D C 1.079 177.382 176.300 0.005 0.000 1.142 324 D CA -0.162 53.842 54.000 0.007 0.000 0.847 324 D CB 1.110 41.903 40.800 -0.011 0.000 1.082 324 D HN 0.534 nan 8.370 nan 0.000 0.480 325 E N 3.635 123.838 120.200 0.005 0.000 2.240 325 E HA -0.339 4.011 4.350 0.000 0.000 0.236 325 E C -0.317 176.284 176.600 0.001 0.000 1.085 325 E CA 2.113 58.516 56.400 0.004 0.000 0.979 325 E CB -0.216 29.485 29.700 0.001 0.000 0.845 325 E HN 0.671 nan 8.360 nan 0.000 0.483 326 N N -0.054 118.645 118.700 -0.002 0.000 2.707 326 N HA 0.409 5.149 4.740 0.000 0.000 0.235 326 N C -1.410 174.097 175.510 -0.004 0.000 1.028 326 N CA -0.350 52.698 53.050 -0.003 0.000 0.906 326 N CB 1.391 39.875 38.487 -0.004 0.000 1.131 326 N HN 0.127 nan 8.380 nan 0.000 0.509 327 L N 1.478 122.700 121.223 -0.002 0.000 2.491 327 L HA 0.234 4.575 4.340 0.000 0.000 0.260 327 L C 0.706 177.576 176.870 -0.000 0.000 1.200 327 L CA -0.143 54.695 54.840 -0.003 0.000 0.882 327 L CB 0.905 42.961 42.059 -0.005 0.000 1.058 327 L HN 0.352 nan 8.230 nan 0.000 0.487 328 E N 1.662 121.862 120.200 0.000 0.000 2.028 328 E HA -0.215 4.136 4.350 0.000 0.000 0.217 328 E C 0.186 176.788 176.600 0.002 0.000 1.039 328 E CA 2.234 58.635 56.400 0.002 0.000 0.882 328 E CB -0.007 29.694 29.700 0.001 0.000 0.794 328 E HN 0.783 nan 8.360 nan 0.000 0.488 329 N N -0.629 118.072 118.700 0.002 0.000 2.687 329 N HA 0.217 4.958 4.740 0.000 0.000 0.275 329 N C -1.389 174.122 175.510 0.002 0.000 1.789 329 N CA -0.200 52.851 53.050 0.003 0.000 0.806 329 N CB 1.144 39.633 38.487 0.003 0.000 1.256 329 N HN -0.184 nan 8.380 nan 0.000 0.500 330 T N -0.094 114.460 114.554 0.001 0.000 2.912 330 T HA 0.568 4.918 4.350 0.000 0.000 0.299 330 T C -0.775 173.924 174.700 -0.002 0.000 1.052 330 T CA -0.793 61.306 62.100 -0.001 0.000 0.996 330 T CB 2.044 70.909 68.868 -0.004 0.000 1.070 330 T HN 0.231 nan 8.240 nan 0.000 0.465 331 V N 1.361 121.274 119.914 -0.001 0.000 2.409 331 V HA 0.753 4.873 4.120 0.000 0.000 0.291 331 V C -0.173 175.917 176.094 -0.008 0.000 1.020 331 V CA -1.068 61.232 62.300 -0.001 0.000 0.848 331 V CB 1.336 33.164 31.823 0.007 0.000 0.990 331 V HN 0.864 nan 8.190 nan 0.000 0.430 332 R N 3.343 123.831 120.500 -0.020 0.000 2.540 332 R HA 0.872 5.212 4.340 0.000 0.000 0.287 332 R C -1.660 174.620 176.300 -0.033 0.000 0.980 332 R CA -0.556 55.525 56.100 -0.032 0.000 0.966 332 R CB 2.121 32.390 30.300 -0.053 0.000 1.106 332 R HN 0.688 nan 8.270 nan 0.000 0.480 333 V N 5.129 125.028 119.914 -0.025 0.000 2.623 333 V HA 0.335 4.455 4.120 0.000 0.000 0.304 333 V C -1.146 174.942 176.094 -0.010 0.000 1.054 333 V CA -0.914 61.381 62.300 -0.008 0.000 0.882 333 V CB 1.670 33.501 31.823 0.012 0.000 1.002 333 V HN 0.627 nan 8.190 nan 0.000 0.424 334 L N 6.270 127.492 121.223 -0.002 0.000 2.317 334 L HA 0.805 5.145 4.340 0.000 0.000 0.281 334 L C -1.315 175.584 176.870 0.048 0.000 1.024 334 L CA -0.256 54.591 54.840 0.011 0.000 0.810 334 L CB 1.466 43.523 42.059 -0.004 0.000 1.240 334 L HN 0.509 nan 8.230 nan 0.000 0.427 335 L N 5.630 126.876 121.223 0.039 0.000 2.381 335 L HA 0.614 4.954 4.340 0.000 0.000 0.274 335 L C -0.907 175.990 176.870 0.045 0.000 0.988 335 L CA -0.282 54.586 54.840 0.046 0.000 0.824 335 L CB 2.216 44.294 42.059 0.032 0.000 1.263 335 L HN 0.395 nan 8.230 nan 0.000 0.410 336 V N 5.175 125.122 119.914 0.055 0.000 2.340 336 V HA 0.406 4.526 4.120 0.000 0.000 0.277 336 V C -0.272 175.851 176.094 0.047 0.000 1.017 336 V CA -0.489 61.843 62.300 0.054 0.000 0.820 336 V CB 1.299 33.165 31.823 0.071 0.000 1.028 336 V HN 0.439 nan 8.190 nan 0.000 0.436 337 I N 5.097 125.690 120.570 0.038 0.000 2.312 337 I HA 0.409 4.579 4.170 0.000 0.000 0.291 337 I C 1.058 177.193 176.117 0.029 0.000 1.031 337 I CA 0.698 62.017 61.300 0.031 0.000 1.293 337 I CB 1.747 39.762 38.000 0.025 0.000 1.403 337 I HN 0.795 nan 8.210 nan 0.000 0.484 338 T N 2.190 116.759 114.554 0.026 0.000 2.897 338 T HA 0.663 5.013 4.350 0.000 0.000 0.278 338 T C 0.679 175.387 174.700 0.013 0.000 0.981 338 T CA -0.295 61.817 62.100 0.021 0.000 0.973 338 T CB 1.321 70.199 68.868 0.016 0.000 1.092 338 T HN 1.120 nan 8.240 nan 0.000 0.543 339 G N -0.151 108.653 108.800 0.007 0.000 2.374 339 G HA2 -0.071 3.889 3.960 0.000 0.000 0.289 339 G HA3 -0.071 3.889 3.960 0.000 0.000 0.289 339 G C 0.286 175.186 174.900 0.000 0.000 1.004 339 G CA 0.358 45.457 45.100 -0.001 0.000 1.292 339 G HN 1.992 nan 8.290 nan 0.000 0.502 340 V N -1.839 118.077 119.914 0.003 0.000 3.337 340 V HA 0.290 4.410 4.120 0.000 0.000 0.307 340 V C 1.763 177.856 176.094 -0.001 0.000 1.505 340 V CA 1.010 63.313 62.300 0.005 0.000 1.072 340 V CB 0.662 32.496 31.823 0.017 0.000 0.929 340 V HN 0.630 nan 8.190 nan 0.000 0.455 341 Q N 2.461 122.251 119.800 -0.017 0.000 2.439 341 Q HA -0.135 4.206 4.340 0.000 0.000 0.211 341 Q C 1.829 177.789 176.000 -0.067 0.000 0.978 341 Q CA 2.034 57.805 55.803 -0.052 0.000 0.897 341 Q CB -0.775 27.912 28.738 -0.085 0.000 0.956 341 Q HN 0.878 nan 8.270 nan 0.000 0.483 342 S N 0.030 115.704 115.700 -0.043 0.000 2.527 342 S HA 0.103 4.574 4.470 0.000 0.000 0.222 342 S C 1.428 176.012 174.600 -0.028 0.000 0.985 342 S CA -0.149 58.027 58.200 -0.041 0.000 0.921 342 S CB 0.205 63.387 63.200 -0.030 0.000 0.772 342 S HN 0.212 nan 8.310 nan 0.000 0.529 343 R N 0.016 120.507 120.500 -0.015 0.000 2.509 343 R HA 0.509 4.849 4.340 0.000 0.000 0.300 343 R C -0.963 175.344 176.300 0.011 0.000 0.985 343 R CA -0.194 55.905 56.100 -0.002 0.000 1.092 343 R CB -0.238 30.064 30.300 0.004 0.000 1.237 343 R HN 0.372 nan 8.270 nan 0.000 0.546 344 I N 0.193 120.769 120.570 0.010 0.000 2.689 344 I HA 0.281 4.451 4.170 0.000 0.000 0.299 344 I C -0.435 175.700 176.117 0.029 0.000 1.059 344 I CA -1.277 60.053 61.300 0.050 0.000 1.055 344 I CB 2.552 40.617 38.000 0.109 0.000 1.243 344 I HN -0.070 nan 8.210 nan 0.000 0.425 345 E N 4.562 124.819 120.200 0.094 0.000 2.234 345 E HA 0.437 4.787 4.350 0.000 0.000 0.266 345 E C -1.562 175.208 176.600 0.283 0.000 0.877 345 E CA -0.587 55.866 56.400 0.089 0.000 0.758 345 E CB 1.052 30.785 29.700 0.054 0.000 1.170 345 E HN 0.204 nan 8.360 nan 0.000 0.415 346 F N 2.195 122.141 119.950 -0.006 0.000 2.456 346 F HA 0.325 4.852 4.527 0.000 0.000 0.358 346 F C 0.517 176.315 175.800 -0.003 0.000 1.095 346 F CA -0.313 57.684 58.000 -0.005 0.000 1.216 346 F CB 1.553 40.548 39.000 -0.008 0.000 1.125 346 F HN 0.286 nan 8.300 nan 0.000 0.549 347 T N 3.100 117.737 114.554 0.139 0.000 2.912 347 T HA 0.158 4.509 4.350 0.000 0.000 0.299 347 T C 0.534 175.249 174.700 0.024 0.000 1.052 347 T CA -0.590 61.553 62.100 0.071 0.000 0.996 347 T CB 1.894 70.794 68.868 0.052 0.000 1.070 347 T HN 0.342 nan 8.240 nan 0.000 0.465 348 D N 1.581 121.995 120.400 0.024 0.000 2.315 348 D HA -0.085 4.556 4.640 0.000 0.000 0.211 348 D C 1.993 178.292 176.300 -0.001 0.000 0.977 348 D CA 1.453 55.458 54.000 0.007 0.000 0.894 348 D CB 0.084 40.893 40.800 0.014 0.000 0.910 348 D HN 0.716 nan 8.370 nan 0.000 0.490 349 T N -3.458 111.098 114.554 0.004 0.000 3.069 349 T HA 0.509 4.859 4.350 0.000 0.000 0.252 349 T C 0.906 175.602 174.700 -0.007 0.000 1.053 349 T CA 0.184 62.286 62.100 0.003 0.000 0.964 349 T CB 1.056 69.932 68.868 0.013 0.000 1.005 349 T HN 0.218 nan 8.240 nan 0.000 0.532 350 G N 1.246 110.032 108.800 -0.024 0.000 2.293 350 G HA2 0.171 4.131 3.960 0.000 0.000 0.282 350 G HA3 0.171 4.131 3.960 0.000 0.000 0.282 350 G C -1.722 173.160 174.900 -0.031 0.000 1.299 350 G CA -1.015 44.058 45.100 -0.045 0.000 1.018 350 G HN 0.413 nan 8.290 nan 0.000 0.478 351 L N 0.935 122.145 121.223 -0.022 0.000 2.265 351 L HA 0.502 4.843 4.340 0.000 0.000 0.288 351 L C 0.561 177.463 176.870 0.053 0.000 1.058 351 L CA -0.363 54.498 54.840 0.036 0.000 0.809 351 L CB 1.110 43.188 42.059 0.032 0.000 1.179 351 L HN 0.329 nan 8.230 nan 0.000 0.429 352 K N 4.033 124.479 120.400 0.077 0.000 2.206 352 K HA 0.438 4.758 4.320 0.000 0.000 0.264 352 K C -0.519 176.115 176.600 0.057 0.000 0.967 352 K CA -0.893 55.428 56.287 0.056 0.000 0.844 352 K CB 1.851 34.381 32.500 0.050 0.000 1.099 352 K HN 0.503 nan 8.250 nan 0.000 0.441 353 R N 2.840 123.364 120.500 0.041 0.000 2.370 353 R HA 0.040 4.380 4.340 0.000 0.000 0.309 353 R C 0.471 176.786 176.300 0.025 0.000 1.059 353 R CA 0.196 56.316 56.100 0.033 0.000 0.981 353 R CB 0.631 30.947 30.300 0.026 0.000 0.972 353 R HN 0.484 nan 8.270 nan 0.000 0.437 354 K N 2.625 123.037 120.400 0.020 0.000 2.761 354 K HA 0.261 4.581 4.320 0.000 0.000 0.286 354 K C -0.218 176.386 176.600 0.006 0.000 1.019 354 K CA -0.167 56.126 56.287 0.010 0.000 1.070 354 K CB 0.663 33.163 32.500 -0.001 0.000 1.387 354 K HN 0.359 nan 8.250 nan 0.000 0.509 355 K N 0.000 120.400 120.400 0.000 0.000 2.780 355 K HA 0.000 4.320 4.320 0.000 0.000 0.191 355 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 355 K CB 0.000 32.501 32.500 0.001 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543