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 1tno_1_G DATA FIRST_RESID 55 DATA SEQUENCE FLSLDSPTYV LYRDRAEWAD IDPVPQNDGP SPVVQIIYSE KFRDVYDYFR DATA SEQUENCE AVLQRDERSE RAFKLTRDAI ELNAANYTVW HFRRVLLRSL QKDLQEEMNY DATA SEQUENCE IIAIIEEQPK NYQVWHHRRV LVEWLKDPSQ ELEFIADILN QDAKNYHAWQ DATA SEQUENCE HRQWVIQEFR LWDNELQYVD QLLKEDVRNN SVWNQRHFVI SNTTGYSDRA DATA SEQUENCE VLEREVQYTL EMIKLVPHNE SAWNYLKGIL QDRGLSRYPN LLNQLLDLQP DATA SEQUENCE SHSSPYLIAF LVDIYEDMLE NQCDNKEDIL NKALELCEIL AKEKDTIRKE DATA SEQUENCE YWRYIGRSLQ SKHS 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 55 F HA 0.000 nan 4.527 nan 0.000 0.279 55 F C 0.000 175.807 175.800 0.012 0.000 0.967 55 F CA 0.000 58.002 58.000 0.003 0.000 1.383 55 F CB 0.000 39.000 39.000 0.001 0.000 1.145 56 L N 2.195 123.573 121.223 0.258 0.000 2.433 56 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 56 L C 0.470 177.457 176.870 0.195 0.000 1.120 56 L CA 0.115 55.049 54.840 0.158 0.000 0.879 56 L CB 0.092 42.186 42.059 0.058 0.000 1.232 56 L HN 0.303 nan 8.230 nan 0.000 0.454 57 S N 3.547 119.338 115.700 0.151 0.000 2.573 57 S HA 0.084 4.554 4.470 -0.000 0.000 0.277 57 S C 1.411 176.056 174.600 0.076 0.000 1.346 57 S CA -0.290 57.969 58.200 0.098 0.000 1.034 57 S CB 0.462 63.691 63.200 0.049 0.000 0.879 57 S HN 0.728 nan 8.310 nan 0.000 0.528 58 L N 1.788 122.942 121.223 -0.115 0.000 2.456 58 L HA -0.008 4.332 4.340 -0.000 0.000 0.224 58 L C 0.752 177.341 176.870 -0.468 0.000 1.148 58 L CA 0.965 55.495 54.840 -0.517 0.000 0.825 58 L CB -0.181 41.648 42.059 -0.382 0.000 0.937 58 L HN 0.731 nan 8.230 nan 0.000 0.450 59 D N -2.792 117.499 120.400 -0.183 0.000 2.540 59 D HA 0.034 4.674 4.640 -0.000 0.000 0.229 59 D C 0.652 176.941 176.300 -0.018 0.000 1.250 59 D CA 0.003 53.942 54.000 -0.102 0.000 0.817 59 D CB 0.135 40.896 40.800 -0.066 0.000 1.060 59 D HN -0.043 nan 8.370 nan 0.000 0.508 60 S N 1.517 117.234 115.700 0.029 0.000 2.572 60 S HA 0.176 4.646 4.470 -0.000 0.000 0.279 60 S C -1.395 173.252 174.600 0.078 0.000 1.341 60 S CA -0.751 57.487 58.200 0.065 0.000 1.043 60 S CB 1.595 64.854 63.200 0.099 0.000 0.887 60 S HN -0.230 nan 8.310 nan 0.000 0.516 61 P HA -0.049 nan 4.420 nan 0.000 0.216 61 P C 0.931 178.266 177.300 0.058 0.000 1.150 61 P CA 1.242 64.371 63.100 0.047 0.000 0.837 61 P CB -0.162 31.555 31.700 0.029 0.000 0.786 62 T N -4.875 109.711 114.554 0.053 0.000 3.312 62 T HA 0.056 4.406 4.350 -0.000 0.000 0.251 62 T C 0.092 174.810 174.700 0.029 0.000 1.012 62 T CA -0.542 61.574 62.100 0.027 0.000 0.925 62 T CB -1.397 67.471 68.868 -0.001 0.000 1.049 62 T HN -0.009 nan 8.240 nan 0.000 0.583 63 Y N 1.655 121.932 120.300 -0.037 0.000 2.359 63 Y HA 0.472 5.022 4.550 -0.000 0.000 0.330 63 Y C -0.585 175.274 175.900 -0.069 0.000 1.143 63 Y CA -0.640 57.428 58.100 -0.054 0.000 1.318 63 Y CB 0.665 39.103 38.460 -0.036 0.000 1.234 63 Y HN 0.067 nan 8.280 nan 0.000 0.522 64 V N 7.497 126.927 119.914 -0.807 0.000 2.604 64 V HA 0.263 4.383 4.120 -0.000 0.000 0.305 64 V C -0.174 175.440 176.094 -0.799 0.000 1.043 64 V CA -1.286 60.672 62.300 -0.570 0.000 0.888 64 V CB 1.658 33.252 31.823 -0.381 0.000 0.995 64 V HN 0.713 nan 8.190 nan 0.000 0.429 65 L N 3.232 124.231 121.223 -0.374 0.000 2.483 65 L HA 0.110 4.450 4.340 -0.000 0.000 0.276 65 L C 1.145 177.806 176.870 -0.348 0.000 1.213 65 L CA 0.200 54.910 54.840 -0.217 0.000 0.843 65 L CB 0.137 42.183 42.059 -0.022 0.000 1.107 65 L HN 0.707 nan 8.230 nan 0.000 0.487 66 Y N 1.216 121.234 120.300 -0.470 0.000 2.333 66 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 66 Y C 2.490 177.989 175.900 -0.668 0.000 1.144 66 Y CA 1.355 58.987 58.100 -0.780 0.000 1.228 66 Y CB -0.226 37.431 38.460 -1.339 0.000 0.985 66 Y HN 0.567 nan 8.280 nan 0.000 0.542 67 R N -0.100 120.258 120.500 -0.237 0.000 2.237 67 R HA -0.096 4.244 4.340 -0.000 0.000 0.219 67 R C 0.123 176.422 176.300 -0.000 0.000 1.080 67 R CA 1.788 57.893 56.100 0.007 0.000 0.995 67 R CB -0.227 30.151 30.300 0.129 0.000 0.875 67 R HN 0.174 nan 8.270 nan 0.000 0.462 68 D N 0.566 120.919 120.400 -0.078 0.000 2.424 68 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 68 D C -0.351 175.898 176.300 -0.085 0.000 1.150 68 D CA -0.002 53.960 54.000 -0.063 0.000 0.831 68 D CB 0.427 41.181 40.800 -0.076 0.000 0.981 68 D HN 0.208 nan 8.370 nan 0.000 0.500 69 R N 0.382 120.832 120.500 -0.082 0.000 2.338 69 R HA 0.554 4.894 4.340 -0.000 0.000 0.317 69 R C 0.942 177.273 176.300 0.053 0.000 0.968 69 R CA -0.395 55.681 56.100 -0.040 0.000 0.849 69 R CB 1.779 32.054 30.300 -0.041 0.000 1.128 69 R HN -0.125 nan 8.270 nan 0.000 0.448 70 A N 3.291 126.116 122.820 0.009 0.000 1.908 70 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 70 A C 1.468 179.052 177.584 0.001 0.000 1.181 70 A CA 1.522 53.564 52.037 0.007 0.000 0.627 70 A CB -0.227 18.759 19.000 -0.024 0.000 0.818 70 A HN 0.819 nan 8.150 nan 0.000 0.445 71 E N -1.576 118.601 120.200 -0.038 0.000 2.331 71 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 71 E C 0.712 177.128 176.600 -0.307 0.000 1.008 71 E CA 1.179 57.465 56.400 -0.190 0.000 0.843 71 E CB -0.267 29.269 29.700 -0.272 0.000 0.761 71 E HN 0.911 nan 8.360 nan 0.000 0.507 72 W N -0.561 120.740 121.300 0.002 0.000 2.966 72 W HA 0.528 5.188 4.660 -0.000 0.000 0.406 72 W C 1.567 178.157 176.519 0.119 0.000 1.027 72 W CA -0.166 57.224 57.345 0.074 0.000 1.930 72 W CB 0.236 29.712 29.460 0.026 0.000 1.144 72 W HN 0.036 nan 8.180 nan 0.000 0.626 73 A N 0.963 123.906 122.820 0.204 0.000 1.972 73 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 73 A C 1.870 179.540 177.584 0.144 0.000 1.169 73 A CA 2.166 54.298 52.037 0.160 0.000 0.635 73 A CB -0.486 18.563 19.000 0.082 0.000 0.810 73 A HN 0.332 nan 8.150 nan 0.000 0.446 74 D N -0.688 119.781 120.400 0.114 0.000 2.347 74 D HA -0.003 4.637 4.640 -0.000 0.000 0.215 74 D C 0.496 176.864 176.300 0.112 0.000 0.976 74 D CA 0.217 54.267 54.000 0.083 0.000 0.884 74 D CB -0.216 40.605 40.800 0.035 0.000 0.915 74 D HN 0.282 nan 8.370 nan 0.000 0.526 75 I N 1.708 122.403 120.570 0.209 0.000 2.385 75 I HA 0.186 4.356 4.170 -0.000 0.000 0.294 75 I C -0.083 176.102 176.117 0.114 0.000 0.988 75 I CA -0.625 60.797 61.300 0.204 0.000 1.265 75 I CB 1.396 39.637 38.000 0.402 0.000 1.388 75 I HN -0.203 nan 8.210 nan 0.000 0.480 76 D N 8.049 128.440 120.400 -0.015 0.000 2.317 76 D HA 0.276 4.916 4.640 -0.000 0.000 0.234 76 D C -2.078 174.060 176.300 -0.270 0.000 1.112 76 D CA -1.006 52.935 54.000 -0.098 0.000 0.840 76 D CB 1.439 42.206 40.800 -0.055 0.000 1.078 76 D HN 0.259 nan 8.370 nan 0.000 0.486 77 P HA -0.009 nan 4.420 nan 0.000 0.266 77 P C -0.372 176.750 177.300 -0.297 0.000 1.195 77 P CA -0.230 62.483 63.100 -0.644 0.000 0.768 77 P CB 0.984 32.276 31.700 -0.681 0.000 0.838 78 V N 5.698 125.464 119.914 -0.247 0.000 2.357 78 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 78 V C -1.708 174.334 176.094 -0.086 0.000 1.018 78 V CA -1.819 60.399 62.300 -0.137 0.000 0.841 78 V CB 1.373 33.121 31.823 -0.125 0.000 0.991 78 V HN 0.608 nan 8.190 nan 0.000 0.437 79 P HA 0.264 nan 4.420 nan 0.000 0.282 79 P C -1.149 176.151 177.300 0.002 0.000 1.259 79 P CA -0.653 62.440 63.100 -0.012 0.000 0.826 79 P CB 1.355 33.053 31.700 -0.004 0.000 1.064 80 Q N 2.033 121.846 119.800 0.022 0.000 2.235 80 Q HA 0.302 4.642 4.340 -0.000 0.000 0.250 80 Q C -1.014 175.003 176.000 0.029 0.000 0.909 80 Q CA -0.464 55.356 55.803 0.028 0.000 0.910 80 Q CB 0.306 29.068 28.738 0.041 0.000 1.223 80 Q HN 0.405 nan 8.270 nan 0.000 0.432 81 N N 1.482 120.195 118.700 0.023 0.000 2.549 81 N HA 0.215 4.955 4.740 -0.000 0.000 0.281 81 N C -1.730 173.791 175.510 0.018 0.000 1.084 81 N CA -0.690 52.371 53.050 0.020 0.000 0.862 81 N CB 1.634 40.128 38.487 0.012 0.000 1.333 81 N HN 0.506 nan 8.380 nan 0.000 0.523 82 D N 1.361 121.773 120.400 0.020 0.000 2.325 82 D HA 0.292 4.932 4.640 -0.000 0.000 0.234 82 D C 0.988 177.294 176.300 0.010 0.000 1.122 82 D CA 0.680 54.689 54.000 0.016 0.000 0.850 82 D CB -0.020 40.788 40.800 0.014 0.000 0.921 82 D HN 0.866 nan 8.370 nan 0.000 0.513 83 G N 1.566 110.372 108.800 0.010 0.000 2.741 83 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.222 83 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.222 83 G C -1.360 173.543 174.900 0.005 0.000 1.364 83 G CA -0.392 44.713 45.100 0.007 0.000 0.866 83 G HN 0.084 nan 8.290 nan 0.000 0.555 84 P HA 0.058 nan 4.420 nan 0.000 0.216 84 P C 0.762 178.062 177.300 0.000 0.000 1.150 84 P CA 1.727 64.828 63.100 0.002 0.000 0.837 84 P CB 0.062 31.764 31.700 0.002 0.000 0.786 85 S N 1.569 117.269 115.700 -0.000 0.000 2.252 85 S HA 0.315 4.785 4.470 -0.000 0.000 0.187 85 S C -2.352 172.246 174.600 -0.003 0.000 1.587 85 S CA -0.918 57.281 58.200 -0.003 0.000 1.215 85 S CB 0.839 64.038 63.200 -0.003 0.000 1.085 85 S HN 0.181 nan 8.310 nan 0.000 0.466 86 P HA 0.245 nan 4.420 nan 0.000 0.271 86 P C -0.712 176.581 177.300 -0.011 0.000 1.216 86 P CA -0.231 62.866 63.100 -0.006 0.000 0.776 86 P CB 0.784 32.480 31.700 -0.007 0.000 0.881 87 V N 3.030 122.938 119.914 -0.010 0.000 2.581 87 V HA 0.110 4.230 4.120 -0.000 0.000 0.303 87 V C 0.652 176.734 176.094 -0.019 0.000 1.041 87 V CA -0.839 61.453 62.300 -0.013 0.000 0.907 87 V CB 1.603 33.422 31.823 -0.008 0.000 0.994 87 V HN 0.471 nan 8.190 nan 0.000 0.442 88 V N 2.584 122.482 119.914 -0.027 0.000 5.830 88 V HA -0.229 3.891 4.120 -0.000 0.000 0.274 88 V C 0.508 176.571 176.094 -0.052 0.000 0.632 88 V CA 0.975 63.253 62.300 -0.037 0.000 0.594 88 V CB -1.737 30.071 31.823 -0.025 0.000 0.249 88 V HN 1.060 nan 8.190 nan 0.000 0.697 89 Q N 0.809 120.571 119.800 -0.063 0.000 2.279 89 Q HA 0.590 4.929 4.340 -0.000 0.000 0.256 89 Q C -0.122 175.783 176.000 -0.159 0.000 0.937 89 Q CA -0.475 55.277 55.803 -0.086 0.000 0.933 89 Q CB 1.044 29.744 28.738 -0.065 0.000 1.189 89 Q HN 0.755 nan 8.270 nan 0.000 0.417 90 I N 5.108 125.525 120.570 -0.255 0.000 2.353 90 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 90 I C -0.047 175.665 176.117 -0.675 0.000 0.992 90 I CA -1.055 59.961 61.300 -0.473 0.000 1.268 90 I CB 1.030 38.659 38.000 -0.618 0.000 1.387 90 I HN 0.557 nan 8.210 nan 0.000 0.478 91 I N 4.296 124.541 120.570 -0.541 0.000 2.428 91 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 91 I C -1.025 174.743 176.117 -0.583 0.000 1.019 91 I CA -0.018 61.029 61.300 -0.422 0.000 1.351 91 I CB 0.027 37.898 38.000 -0.214 0.000 1.412 91 I HN 0.284 nan 8.210 nan 0.000 0.513 92 Y N 3.248 123.456 120.300 -0.153 0.000 2.468 92 Y HA 0.586 5.136 4.550 -0.000 0.000 0.342 92 Y C 0.896 176.772 175.900 -0.040 0.000 1.021 92 Y CA -0.848 57.140 58.100 -0.186 0.000 1.079 92 Y CB 2.026 40.378 38.460 -0.179 0.000 1.226 92 Y HN 0.833 nan 8.280 nan 0.000 0.460 93 S N 0.601 116.421 115.700 0.200 0.000 2.608 93 S HA 0.088 4.558 4.470 -0.000 0.000 0.261 93 S C 0.920 175.644 174.600 0.207 0.000 1.314 93 S CA -0.660 57.642 58.200 0.170 0.000 0.992 93 S CB 0.974 64.272 63.200 0.164 0.000 0.935 93 S HN 0.736 nan 8.310 nan 0.000 0.564 94 E N 1.404 121.696 120.200 0.154 0.000 2.058 94 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 94 E C 1.966 178.672 176.600 0.177 0.000 0.997 94 E CA 1.587 58.076 56.400 0.148 0.000 0.801 94 E CB -0.430 29.339 29.700 0.115 0.000 0.746 94 E HN 0.717 nan 8.360 nan 0.000 0.450 95 K N -0.113 120.395 120.400 0.180 0.000 2.009 95 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 95 K C 2.181 178.888 176.600 0.177 0.000 1.049 95 K CA 1.350 57.747 56.287 0.183 0.000 0.929 95 K CB -0.430 32.134 32.500 0.107 0.000 0.714 95 K HN 0.037 nan 8.250 nan 0.000 0.440 96 F N 1.883 121.879 119.950 0.077 0.000 2.046 96 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 96 F C 2.734 178.553 175.800 0.032 0.000 1.123 96 F CA 1.520 59.557 58.000 0.061 0.000 1.199 96 F CB -0.028 39.023 39.000 0.085 0.000 0.972 96 F HN -0.100 nan 8.300 nan 0.000 0.474 97 R N 0.203 120.911 120.500 0.346 0.000 2.120 97 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 97 R C 1.894 178.286 176.300 0.154 0.000 1.123 97 R CA 2.033 58.256 56.100 0.206 0.000 0.975 97 R CB -0.619 29.790 30.300 0.182 0.000 0.866 97 R HN 0.441 nan 8.270 nan 0.000 0.446 98 D N -0.710 119.780 120.400 0.149 0.000 2.084 98 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 98 D C 1.825 178.152 176.300 0.045 0.000 0.985 98 D CA 1.489 55.574 54.000 0.142 0.000 0.826 98 D CB 0.129 41.020 40.800 0.151 0.000 0.978 98 D HN 0.051 nan 8.370 nan 0.000 0.456 99 V N -0.190 119.668 119.914 -0.093 0.000 2.287 99 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 99 V C 1.989 177.823 176.094 -0.434 0.000 1.053 99 V CA 1.683 63.731 62.300 -0.420 0.000 1.027 99 V CB -0.790 30.749 31.823 -0.473 0.000 0.646 99 V HN 0.338 nan 8.190 nan 0.000 0.447 100 Y N 0.169 120.339 120.300 -0.216 0.000 2.439 100 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 100 Y C 2.288 178.166 175.900 -0.038 0.000 1.130 100 Y CA 1.364 59.393 58.100 -0.118 0.000 1.254 100 Y CB -0.277 38.088 38.460 -0.158 0.000 1.000 100 Y HN 0.322 nan 8.280 nan 0.000 0.554 101 D N -1.542 118.894 120.400 0.060 0.000 2.178 101 D HA -0.162 4.478 4.640 -0.000 0.000 0.202 101 D C 1.484 177.676 176.300 -0.179 0.000 0.974 101 D CA 1.361 55.345 54.000 -0.026 0.000 0.841 101 D CB -0.245 40.549 40.800 -0.010 0.000 0.953 101 D HN 0.321 nan 8.370 nan 0.000 0.478 102 Y N -1.006 119.161 120.300 -0.222 0.000 2.365 102 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 102 Y C 1.872 177.599 175.900 -0.289 0.000 1.119 102 Y CA 0.177 58.095 58.100 -0.303 0.000 1.203 102 Y CB -0.269 37.830 38.460 -0.601 0.000 1.026 102 Y HN -0.065 nan 8.280 nan 0.000 0.549 103 F N 1.084 120.846 119.950 -0.313 0.000 2.102 103 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 103 F C 2.197 177.854 175.800 -0.239 0.000 1.105 103 F CA 1.533 59.333 58.000 -0.333 0.000 1.239 103 F CB -0.312 38.389 39.000 -0.500 0.000 0.991 103 F HN -0.176 nan 8.300 nan 0.000 0.474 104 R N 0.235 120.602 120.500 -0.222 0.000 2.091 104 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 104 R C 2.457 178.571 176.300 -0.311 0.000 1.136 104 R CA 1.307 57.252 56.100 -0.258 0.000 0.959 104 R CB -0.954 29.295 30.300 -0.086 0.000 0.856 104 R HN 0.418 nan 8.270 nan 0.000 0.437 105 A N 0.708 123.371 122.820 -0.261 0.000 1.858 105 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 105 A C 2.389 179.859 177.584 -0.189 0.000 1.190 105 A CA 1.475 53.389 52.037 -0.206 0.000 0.617 105 A CB -0.648 18.226 19.000 -0.209 0.000 0.827 105 A HN 0.117 nan 8.150 nan 0.000 0.443 106 V N 0.179 119.976 119.914 -0.195 0.000 2.343 106 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 106 V C 2.495 178.360 176.094 -0.382 0.000 1.051 106 V CA 1.710 63.920 62.300 -0.149 0.000 1.036 106 V CB -0.688 31.125 31.823 -0.017 0.000 0.654 106 V HN 0.572 nan 8.190 nan 0.000 0.451 107 L N 0.094 120.865 121.223 -0.753 0.000 2.017 107 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 107 L C 2.563 179.166 176.870 -0.444 0.000 1.073 107 L CA 2.467 56.749 54.840 -0.930 0.000 0.745 107 L CB -0.843 40.521 42.059 -1.158 0.000 0.894 107 L HN 0.497 nan 8.230 nan 0.000 0.432 108 Q N -0.123 119.487 119.800 -0.317 0.000 2.234 108 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 108 Q C 1.656 177.591 176.000 -0.107 0.000 0.980 108 Q CA 1.552 57.252 55.803 -0.172 0.000 0.869 108 Q CB 0.102 28.756 28.738 -0.140 0.000 0.912 108 Q HN 0.404 nan 8.270 nan 0.000 0.436 109 R N 0.065 120.504 120.500 -0.103 0.000 2.362 109 R HA 0.053 4.393 4.340 -0.000 0.000 0.227 109 R C -0.255 176.045 176.300 0.001 0.000 0.905 109 R CA 0.459 56.536 56.100 -0.038 0.000 1.067 109 R CB 0.445 30.733 30.300 -0.020 0.000 1.078 109 R HN 0.177 nan 8.270 nan 0.000 0.516 110 D N 2.435 122.831 120.400 -0.008 0.000 2.701 110 D HA -0.226 4.414 4.640 -0.000 0.000 0.235 110 D C -0.642 175.763 176.300 0.176 0.000 1.155 110 D CA 0.760 54.832 54.000 0.119 0.000 0.649 110 D CB -0.697 40.167 40.800 0.107 0.000 1.050 110 D HN 0.476 nan 8.370 nan 0.000 0.425 111 E N 0.675 120.982 120.200 0.179 0.000 2.166 111 E HA 0.021 4.371 4.350 -0.000 0.000 0.279 111 E C 0.116 176.849 176.600 0.221 0.000 1.095 111 E CA -0.426 56.073 56.400 0.166 0.000 0.888 111 E CB 0.428 30.208 29.700 0.133 0.000 1.041 111 E HN 0.056 nan 8.360 nan 0.000 0.414 112 R N 3.401 123.964 120.500 0.105 0.000 4.680 112 R HA 0.116 4.456 4.340 -0.000 0.000 0.222 112 R C -0.198 176.109 176.300 0.010 0.000 1.803 112 R CA -0.128 55.986 56.100 0.023 0.000 1.560 112 R CB -0.603 29.683 30.300 -0.022 0.000 1.412 112 R HN 0.454 nan 8.270 nan 0.000 0.815 113 S N -1.301 114.433 115.700 0.056 0.000 2.722 113 S HA 0.319 4.789 4.470 -0.000 0.000 0.292 113 S C 0.908 175.545 174.600 0.063 0.000 1.135 113 S CA -0.838 57.381 58.200 0.031 0.000 1.003 113 S CB 2.286 65.493 63.200 0.012 0.000 1.067 113 S HN 0.150 nan 8.310 nan 0.000 0.546 114 E N 0.822 121.045 120.200 0.038 0.000 2.208 114 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 114 E C 2.192 178.895 176.600 0.173 0.000 0.988 114 E CA 0.769 57.224 56.400 0.091 0.000 0.828 114 E CB -0.132 29.595 29.700 0.044 0.000 0.763 114 E HN 0.808 nan 8.360 nan 0.000 0.478 115 R N 0.028 120.584 120.500 0.093 0.000 2.115 115 R HA 0.117 4.457 4.340 -0.000 0.000 0.226 115 R C 2.190 178.740 176.300 0.416 0.000 1.100 115 R CA 1.152 57.339 56.100 0.145 0.000 0.980 115 R CB -0.387 29.729 30.300 -0.307 0.000 0.875 115 R HN -0.018 nan 8.270 nan 0.000 0.445 116 A N 1.264 124.301 122.820 0.361 0.000 1.898 116 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 116 A C 1.973 179.783 177.584 0.377 0.000 1.181 116 A CA 0.990 53.307 52.037 0.467 0.000 0.620 116 A CB -0.685 18.580 19.000 0.442 0.000 0.819 116 A HN 0.446 nan 8.150 nan 0.000 0.442 117 F N 1.499 121.527 119.950 0.131 0.000 2.126 117 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 117 F C 2.400 178.222 175.800 0.036 0.000 1.096 117 F CA 2.149 60.170 58.000 0.035 0.000 1.255 117 F CB -0.277 38.708 39.000 -0.025 0.000 0.997 117 F HN 0.096 nan 8.300 nan 0.000 0.479 118 K N 0.137 120.580 120.400 0.072 0.000 2.155 118 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 118 K C 1.901 178.505 176.600 0.006 0.000 1.052 118 K CA 1.000 57.273 56.287 -0.022 0.000 0.948 118 K CB -1.114 31.496 32.500 0.184 0.000 0.728 118 K HN 0.421 nan 8.250 nan 0.000 0.448 119 L N 1.773 123.078 121.223 0.137 0.000 2.093 119 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 119 L C 2.414 179.185 176.870 -0.164 0.000 1.085 119 L CA 2.570 57.415 54.840 0.007 0.000 0.755 119 L CB -1.199 40.865 42.059 0.008 0.000 0.904 119 L HN 0.516 nan 8.230 nan 0.000 0.435 120 T N -2.972 111.497 114.554 -0.141 0.000 2.833 120 T HA -0.259 4.091 4.350 -0.000 0.000 0.269 120 T C 2.076 176.527 174.700 -0.414 0.000 1.054 120 T CA 1.335 63.271 62.100 -0.274 0.000 1.135 120 T CB -0.541 68.211 68.868 -0.193 0.000 0.869 120 T HN 0.419 nan 8.240 nan 0.000 0.466 121 R N 1.136 121.392 120.500 -0.405 0.000 2.096 121 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 121 R C 1.793 177.948 176.300 -0.243 0.000 1.127 121 R CA 1.815 57.700 56.100 -0.359 0.000 0.968 121 R CB -0.312 29.758 30.300 -0.384 0.000 0.861 121 R HN 0.350 nan 8.270 nan 0.000 0.440 122 D N -0.074 120.192 120.400 -0.224 0.000 2.162 122 D HA -0.031 4.609 4.640 -0.000 0.000 0.203 122 D C 1.689 177.780 176.300 -0.347 0.000 0.967 122 D CA 1.344 55.225 54.000 -0.198 0.000 0.840 122 D CB -0.187 40.563 40.800 -0.082 0.000 0.972 122 D HN 0.355 nan 8.370 nan 0.000 0.482 123 A N 0.683 123.192 122.820 -0.517 0.000 1.933 123 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 123 A C 2.308 179.629 177.584 -0.438 0.000 1.175 123 A CA 0.856 52.451 52.037 -0.737 0.000 0.628 123 A CB -0.642 17.694 19.000 -1.107 0.000 0.814 123 A HN 0.200 nan 8.150 nan 0.000 0.444 124 I N -0.927 119.390 120.570 -0.423 0.000 2.353 124 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 124 I C 2.509 178.531 176.117 -0.158 0.000 1.119 124 I CA 1.444 62.537 61.300 -0.345 0.000 1.417 124 I CB -0.228 37.468 38.000 -0.508 0.000 1.078 124 I HN 0.502 nan 8.210 nan 0.000 0.421 125 E N 1.260 121.370 120.200 -0.148 0.000 2.150 125 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 125 E C 2.319 178.878 176.600 -0.069 0.000 0.985 125 E CA 0.908 57.259 56.400 -0.081 0.000 0.814 125 E CB 0.124 29.776 29.700 -0.081 0.000 0.752 125 E HN 0.479 nan 8.360 nan 0.000 0.466 126 L N 0.044 121.183 121.223 -0.140 0.000 2.179 126 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 126 L C 0.794 177.713 176.870 0.081 0.000 1.096 126 L CA 0.531 55.293 54.840 -0.130 0.000 0.779 126 L CB 0.052 41.751 42.059 -0.601 0.000 0.922 126 L HN 0.092 nan 8.230 nan 0.000 0.443 127 N N -0.848 117.881 118.700 0.048 0.000 2.932 127 N HA 0.191 4.931 4.740 -0.000 0.000 0.242 127 N C -0.017 175.547 175.510 0.090 0.000 1.351 127 N CA 0.180 53.302 53.050 0.120 0.000 0.785 127 N CB 1.111 39.697 38.487 0.165 0.000 1.501 127 N HN 0.010 nan 8.380 nan 0.000 0.584 128 A N 2.034 124.935 122.820 0.135 0.000 2.239 128 A HA 0.292 4.612 4.320 -0.000 0.000 0.209 128 A C 1.599 179.427 177.584 0.407 0.000 1.171 128 A CA 1.172 53.379 52.037 0.284 0.000 0.768 128 A CB -0.218 18.942 19.000 0.267 0.000 0.790 128 A HN 0.688 nan 8.150 nan 0.000 0.478 129 A N -0.370 122.604 122.820 0.257 0.000 2.275 129 A HA 0.128 4.447 4.320 -0.000 0.000 0.212 129 A C 0.863 178.608 177.584 0.269 0.000 1.201 129 A CA -0.224 51.969 52.037 0.260 0.000 0.843 129 A CB -0.302 18.813 19.000 0.192 0.000 0.873 129 A HN 0.378 nan 8.150 nan 0.000 0.492 130 N N 0.973 119.800 118.700 0.211 0.000 2.448 130 N HA 0.092 4.832 4.740 -0.000 0.000 0.250 130 N C 0.763 176.385 175.510 0.186 0.000 1.136 130 N CA -0.258 52.834 53.050 0.070 0.000 0.953 130 N CB 0.249 38.708 38.487 -0.047 0.000 1.251 130 N HN 0.510 nan 8.380 nan 0.000 0.502 131 Y N 2.116 122.589 120.300 0.288 0.000 2.274 131 Y HA -0.077 4.473 4.550 -0.000 0.000 0.290 131 Y C 1.783 177.900 175.900 0.363 0.000 1.145 131 Y CA 0.931 59.236 58.100 0.342 0.000 1.203 131 Y CB -0.864 37.723 38.460 0.213 0.000 0.984 131 Y HN 0.230 nan 8.280 nan 0.000 0.533 132 T N 0.484 114.985 114.554 -0.088 0.000 2.821 132 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 132 T C 2.057 176.961 174.700 0.340 0.000 1.046 132 T CA 1.588 63.799 62.100 0.185 0.000 1.139 132 T CB -0.634 68.263 68.868 0.048 0.000 0.871 132 T HN 0.287 nan 8.240 nan 0.000 0.454 133 V N -0.077 119.916 119.914 0.132 0.000 2.295 133 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 133 V C 2.078 178.214 176.094 0.070 0.000 1.049 133 V CA 1.489 63.772 62.300 -0.030 0.000 1.024 133 V CB -0.709 30.811 31.823 -0.505 0.000 0.648 133 V HN 0.607 nan 8.190 nan 0.000 0.447 134 W N -0.604 120.791 121.300 0.158 0.000 2.363 134 W HA -0.168 4.492 4.660 -0.000 0.000 0.296 134 W C 2.649 179.351 176.519 0.305 0.000 1.212 134 W CA 1.625 59.060 57.345 0.149 0.000 1.260 134 W CB -0.511 29.024 29.460 0.126 0.000 1.131 134 W HN 0.385 nan 8.180 nan 0.000 0.530 135 H N -0.947 118.430 119.070 0.511 0.000 2.321 135 H HA -0.248 4.308 4.556 -0.000 0.000 0.300 135 H C 1.950 177.537 175.328 0.432 0.000 1.087 135 H CA 2.067 58.387 56.048 0.454 0.000 1.319 135 H CB -0.986 29.029 29.762 0.421 0.000 1.379 135 H HN 0.095 nan 8.280 nan 0.000 0.501 136 F N 1.397 121.417 119.950 0.116 0.000 2.161 136 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 136 F C 2.800 178.668 175.800 0.114 0.000 1.089 136 F CA 1.800 59.820 58.000 0.034 0.000 1.282 136 F CB -0.426 38.682 39.000 0.179 0.000 1.010 136 F HN 0.119 nan 8.300 nan 0.000 0.485 137 R N 0.163 120.772 120.500 0.181 0.000 2.096 137 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 137 R C 2.431 178.873 176.300 0.237 0.000 1.127 137 R CA 1.405 57.594 56.100 0.148 0.000 0.968 137 R CB -0.195 30.164 30.300 0.099 0.000 0.861 137 R HN 0.260 nan 8.270 nan 0.000 0.440 138 R N -0.350 120.336 120.500 0.310 0.000 2.092 138 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 138 R C 2.255 178.708 176.300 0.255 0.000 1.119 138 R CA 1.265 57.611 56.100 0.410 0.000 0.970 138 R CB -0.139 30.437 30.300 0.459 0.000 0.864 138 R HN 0.098 nan 8.270 nan 0.000 0.440 139 V N 1.612 121.533 119.914 0.011 0.000 2.343 139 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 139 V C 2.287 178.292 176.094 -0.149 0.000 1.051 139 V CA 1.672 63.913 62.300 -0.099 0.000 1.036 139 V CB -0.386 31.296 31.823 -0.236 0.000 0.654 139 V HN 0.296 nan 8.190 nan 0.000 0.451 140 L N -0.950 120.129 121.223 -0.240 0.000 2.056 140 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 140 L C 2.427 179.195 176.870 -0.171 0.000 1.078 140 L CA 1.297 56.003 54.840 -0.222 0.000 0.749 140 L CB -0.567 41.390 42.059 -0.171 0.000 0.901 140 L HN 0.292 nan 8.230 nan 0.000 0.433 141 L N 0.033 121.237 121.223 -0.033 0.000 2.043 141 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 141 L C 3.376 180.182 176.870 -0.107 0.000 1.075 141 L CA 1.884 56.702 54.840 -0.037 0.000 0.752 141 L CB -0.816 41.404 42.059 0.269 0.000 0.891 141 L HN 0.318 nan 8.230 nan 0.000 0.432 142 R N -0.427 120.009 120.500 -0.106 0.000 2.055 142 R HA -0.089 4.251 4.340 -0.000 0.000 0.228 142 R C 2.256 178.456 176.300 -0.167 0.000 1.143 142 R CA 1.606 57.584 56.100 -0.203 0.000 0.945 142 R CB -1.600 28.569 30.300 -0.220 0.000 0.841 142 R HN 0.300 nan 8.270 nan 0.000 0.429 143 S N 1.163 116.778 115.700 -0.142 0.000 2.374 143 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 143 S C 1.834 176.351 174.600 -0.137 0.000 1.037 143 S CA 1.698 59.823 58.200 -0.126 0.000 1.024 143 S CB -0.245 62.885 63.200 -0.117 0.000 0.861 143 S HN 0.475 nan 8.310 nan 0.000 0.456 144 L N 0.798 121.913 121.223 -0.181 0.000 2.611 144 L HA 0.209 4.549 4.340 -0.000 0.000 0.229 144 L C 0.123 176.878 176.870 -0.191 0.000 1.137 144 L CA -0.011 54.712 54.840 -0.195 0.000 0.901 144 L CB -0.560 41.333 42.059 -0.278 0.000 1.098 144 L HN 0.245 nan 8.230 nan 0.000 0.456 145 Q N 1.272 120.966 119.800 -0.176 0.000 2.431 145 Q HA -0.171 4.169 4.340 -0.000 0.000 0.344 145 Q C -0.309 175.600 176.000 -0.152 0.000 1.384 145 Q CA 0.581 56.292 55.803 -0.153 0.000 0.984 145 Q CB -0.843 27.823 28.738 -0.121 0.000 1.204 145 Q HN 0.368 nan 8.270 nan 0.000 0.392 146 K N 0.925 121.211 120.400 -0.190 0.000 2.180 146 K HA 0.111 4.431 4.320 -0.000 0.000 0.251 146 K C 0.159 176.710 176.600 -0.081 0.000 1.014 146 K CA -0.507 55.668 56.287 -0.188 0.000 0.913 146 K CB 0.428 32.738 32.500 -0.317 0.000 1.008 146 K HN 0.140 nan 8.250 nan 0.000 0.490 147 D N 2.057 122.425 120.400 -0.053 0.000 2.342 147 D HA 0.008 4.648 4.640 -0.000 0.000 0.260 147 D C 0.994 177.315 176.300 0.035 0.000 1.278 147 D CA 0.097 54.092 54.000 -0.010 0.000 0.910 147 D CB 0.295 41.089 40.800 -0.009 0.000 1.079 147 D HN 0.349 nan 8.370 nan 0.000 0.496 148 L N 2.846 124.104 121.223 0.058 0.000 2.201 148 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 148 L C 2.086 179.002 176.870 0.077 0.000 1.105 148 L CA 0.650 55.555 54.840 0.108 0.000 0.775 148 L CB -0.210 41.940 42.059 0.153 0.000 0.913 148 L HN 0.426 nan 8.230 nan 0.000 0.440 149 Q N 0.320 120.148 119.800 0.047 0.000 2.224 149 Q HA -0.221 4.119 4.340 -0.000 0.000 0.203 149 Q C 1.942 177.960 176.000 0.031 0.000 0.970 149 Q CA 1.337 57.156 55.803 0.027 0.000 0.865 149 Q CB 0.065 28.812 28.738 0.014 0.000 0.922 149 Q HN 0.301 nan 8.270 nan 0.000 0.445 150 E N -0.012 120.215 120.200 0.044 0.000 2.072 150 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 150 E C 1.593 178.253 176.600 0.100 0.000 0.982 150 E CA 1.254 57.686 56.400 0.053 0.000 0.803 150 E CB -0.141 29.583 29.700 0.040 0.000 0.755 150 E HN 0.327 nan 8.360 nan 0.000 0.453 151 E N -0.597 119.684 120.200 0.136 0.000 2.153 151 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 151 E C 1.759 178.470 176.600 0.184 0.000 0.988 151 E CA 1.098 57.636 56.400 0.230 0.000 0.811 151 E CB -0.129 29.731 29.700 0.267 0.000 0.746 151 E HN 0.219 nan 8.360 nan 0.000 0.466 152 M N 0.626 120.268 119.600 0.069 0.000 2.159 152 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 152 M C 1.559 177.824 176.300 -0.059 0.000 1.063 152 M CA 1.193 56.473 55.300 -0.034 0.000 1.110 152 M CB -0.995 31.568 32.600 -0.062 0.000 1.374 152 M HN 0.181 nan 8.290 nan 0.000 0.411 153 N N -0.439 118.264 118.700 0.004 0.000 2.142 153 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 153 N C 1.720 177.255 175.510 0.042 0.000 1.023 153 N CA 1.129 54.179 53.050 0.000 0.000 0.852 153 N CB -0.673 37.832 38.487 0.029 0.000 0.998 153 N HN 0.368 nan 8.380 nan 0.000 0.424 154 Y N 1.698 121.985 120.300 -0.023 0.000 2.089 154 Y HA -0.142 4.407 4.550 -0.000 0.000 0.282 154 Y C 2.331 178.224 175.900 -0.011 0.000 1.139 154 Y CA 1.104 59.203 58.100 -0.001 0.000 1.123 154 Y CB -0.731 37.755 38.460 0.044 0.000 0.980 154 Y HN -0.088 nan 8.280 nan 0.000 0.493 155 I N 0.419 120.921 120.570 -0.113 0.000 2.361 155 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 155 I C 2.211 178.108 176.117 -0.366 0.000 1.133 155 I CA 1.208 62.344 61.300 -0.274 0.000 1.413 155 I CB -0.623 37.307 38.000 -0.117 0.000 1.073 155 I HN 0.377 nan 8.210 nan 0.000 0.424 156 I N 0.059 120.423 120.570 -0.343 0.000 2.286 156 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 156 I C 2.492 178.508 176.117 -0.169 0.000 1.115 156 I CA 1.288 62.347 61.300 -0.401 0.000 1.392 156 I CB -0.683 37.099 38.000 -0.363 0.000 1.065 156 I HN 0.274 nan 8.210 nan 0.000 0.418 157 A N 1.149 123.876 122.820 -0.155 0.000 1.897 157 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 157 A C 2.226 179.718 177.584 -0.153 0.000 1.181 157 A CA 0.956 52.930 52.037 -0.106 0.000 0.620 157 A CB -0.448 18.509 19.000 -0.073 0.000 0.821 157 A HN 0.241 nan 8.150 nan 0.000 0.443 158 I N 0.242 120.651 120.570 -0.269 0.000 2.163 158 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 158 I C 2.419 178.399 176.117 -0.228 0.000 1.085 158 I CA 1.541 62.682 61.300 -0.265 0.000 1.347 158 I CB -1.134 36.652 38.000 -0.358 0.000 1.044 158 I HN 0.307 nan 8.210 nan 0.000 0.408 159 I N 0.626 121.019 120.570 -0.295 0.000 2.286 159 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 159 I C 2.384 178.385 176.117 -0.193 0.000 1.115 159 I CA 1.209 62.295 61.300 -0.355 0.000 1.392 159 I CB -0.344 37.333 38.000 -0.539 0.000 1.065 159 I HN 0.278 nan 8.210 nan 0.000 0.418 160 E N 0.688 120.831 120.200 -0.095 0.000 2.153 160 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 160 E C 2.319 178.886 176.600 -0.056 0.000 0.988 160 E CA 1.432 57.799 56.400 -0.056 0.000 0.811 160 E CB -0.087 29.604 29.700 -0.014 0.000 0.746 160 E HN 0.647 nan 8.360 nan 0.000 0.466 161 E N 1.080 121.240 120.200 -0.067 0.000 2.230 161 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 161 E C 0.877 177.451 176.600 -0.042 0.000 0.987 161 E CA 0.646 57.018 56.400 -0.046 0.000 0.841 161 E CB -0.109 29.564 29.700 -0.045 0.000 0.783 161 E HN 0.242 nan 8.360 nan 0.000 0.481 162 Q N -0.296 119.461 119.800 -0.071 0.000 3.300 162 Q HA 0.170 4.510 4.340 -0.000 0.000 0.271 162 Q C -2.257 173.690 176.000 -0.087 0.000 0.926 162 Q CA -1.406 54.362 55.803 -0.058 0.000 0.788 162 Q CB 2.061 30.769 28.738 -0.050 0.000 1.385 162 Q HN 0.284 nan 8.270 nan 0.000 0.424 163 P HA -0.097 nan 4.420 nan 0.000 0.239 163 P C 0.277 177.683 177.300 0.176 0.000 1.184 163 P CA 0.697 63.844 63.100 0.078 0.000 0.760 163 P CB 0.433 32.192 31.700 0.098 0.000 0.884 164 K N -0.243 120.161 120.400 0.007 0.000 2.455 164 K HA 0.151 4.471 4.320 -0.000 0.000 0.206 164 K C 0.420 176.841 176.600 -0.300 0.000 1.027 164 K CA -0.327 55.890 56.287 -0.117 0.000 1.113 164 K CB 0.034 32.561 32.500 0.045 0.000 0.850 164 K HN 0.103 nan 8.250 nan 0.000 0.503 165 N N 0.598 119.163 118.700 -0.227 0.000 2.434 165 N HA 0.053 4.793 4.740 -0.000 0.000 0.272 165 N C 0.518 175.940 175.510 -0.147 0.000 1.040 165 N CA 0.018 52.993 53.050 -0.124 0.000 0.956 165 N CB 0.608 39.058 38.487 -0.061 0.000 1.108 165 N HN -0.059 nan 8.380 nan 0.000 0.481 166 Y N 2.475 122.776 120.300 0.003 0.000 2.200 166 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 166 Y C 2.074 178.014 175.900 0.067 0.000 1.137 166 Y CA 1.298 59.457 58.100 0.099 0.000 1.163 166 Y CB 0.161 38.700 38.460 0.131 0.000 0.988 166 Y HN 0.571 nan 8.280 nan 0.000 0.518 167 Q N -0.275 119.611 119.800 0.143 0.000 2.124 167 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 167 Q C 2.520 178.270 176.000 -0.418 0.000 0.977 167 Q CA 1.906 57.673 55.803 -0.060 0.000 0.850 167 Q CB -0.883 27.823 28.738 -0.054 0.000 0.901 167 Q HN 0.552 nan 8.270 nan 0.000 0.429 168 V N -3.454 116.169 119.914 -0.484 0.000 2.453 168 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 168 V C 1.607 177.411 176.094 -0.483 0.000 1.048 168 V CA 1.299 63.174 62.300 -0.709 0.000 1.049 168 V CB -1.004 30.450 31.823 -0.615 0.000 0.672 168 V HN 0.339 nan 8.190 nan 0.000 0.457 169 W N 0.298 121.445 121.300 -0.255 0.000 2.418 169 W HA 0.007 4.667 4.660 -0.000 0.000 0.292 169 W C 2.685 179.129 176.519 -0.125 0.000 1.213 169 W CA 1.482 58.714 57.345 -0.189 0.000 1.283 169 W CB -0.480 28.918 29.460 -0.103 0.000 1.119 169 W HN 0.442 nan 8.180 nan 0.000 0.542 170 H N -1.494 117.609 119.070 0.055 0.000 2.389 170 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 170 H C 2.069 177.327 175.328 -0.117 0.000 1.081 170 H CA 2.435 58.471 56.048 -0.020 0.000 1.345 170 H CB -0.522 29.245 29.762 0.007 0.000 1.393 170 H HN 0.163 nan 8.280 nan 0.000 0.520 171 H N 0.292 119.123 119.070 -0.399 0.000 2.321 171 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 171 H C 2.611 177.687 175.328 -0.420 0.000 1.087 171 H CA 2.030 57.795 56.048 -0.471 0.000 1.319 171 H CB -0.095 29.309 29.762 -0.596 0.000 1.379 171 H HN 0.251 nan 8.280 nan 0.000 0.501 172 R N 0.269 120.560 120.500 -0.348 0.000 2.096 172 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 172 R C 2.522 178.681 176.300 -0.235 0.000 1.127 172 R CA 1.533 57.436 56.100 -0.329 0.000 0.968 172 R CB -0.160 29.923 30.300 -0.361 0.000 0.861 172 R HN 0.311 nan 8.270 nan 0.000 0.440 173 R N 0.039 120.414 120.500 -0.208 0.000 2.081 173 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 173 R C 2.058 178.093 176.300 -0.442 0.000 1.131 173 R CA 1.532 57.438 56.100 -0.324 0.000 0.960 173 R CB -0.135 29.860 30.300 -0.508 0.000 0.856 173 R HN 0.109 nan 8.270 nan 0.000 0.436 174 V N 1.347 120.902 119.914 -0.598 0.000 2.343 174 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 174 V C 2.348 177.928 176.094 -0.857 0.000 1.051 174 V CA 1.641 63.497 62.300 -0.741 0.000 1.036 174 V CB -0.378 30.888 31.823 -0.930 0.000 0.654 174 V HN 0.345 nan 8.190 nan 0.000 0.451 175 L N -0.511 120.283 121.223 -0.715 0.000 2.017 175 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 175 L C 2.489 179.304 176.870 -0.092 0.000 1.073 175 L CA 1.248 55.827 54.840 -0.436 0.000 0.745 175 L CB -0.673 41.190 42.059 -0.326 0.000 0.894 175 L HN 0.194 nan 8.230 nan 0.000 0.432 176 V N -0.125 119.778 119.914 -0.018 0.000 2.407 176 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 176 V C 2.346 178.640 176.094 0.334 0.000 1.055 176 V CA 1.741 64.142 62.300 0.168 0.000 1.049 176 V CB -0.531 31.476 31.823 0.307 0.000 0.662 176 V HN 0.465 nan 8.190 nan 0.000 0.455 177 E N -1.027 119.369 120.200 0.328 0.000 2.051 177 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 177 E C 2.127 178.968 176.600 0.401 0.000 0.991 177 E CA 1.581 58.224 56.400 0.405 0.000 0.799 177 E CB -0.192 29.671 29.700 0.272 0.000 0.748 177 E HN 0.646 nan 8.360 nan 0.000 0.449 178 W N 0.883 122.257 121.300 0.124 0.000 2.335 178 W HA -0.103 4.557 4.660 -0.000 0.000 0.311 178 W C 2.035 178.601 176.519 0.078 0.000 1.213 178 W CA 0.760 58.151 57.345 0.077 0.000 1.274 178 W CB -0.921 28.559 29.460 0.034 0.000 1.148 178 W HN 0.096 nan 8.180 nan 0.000 0.498 179 L N 0.299 121.714 121.223 0.321 0.000 2.313 179 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 179 L C 1.193 178.169 176.870 0.178 0.000 1.119 179 L CA 0.739 55.695 54.840 0.193 0.000 0.809 179 L CB -0.656 41.477 42.059 0.125 0.000 0.933 179 L HN -0.132 nan 8.230 nan 0.000 0.449 180 K N 0.730 121.286 120.400 0.261 0.000 3.069 180 K HA -0.224 4.096 4.320 -0.000 0.000 0.267 180 K C -0.275 176.442 176.600 0.195 0.000 1.082 180 K CA 0.824 57.323 56.287 0.354 0.000 0.782 180 K CB -1.723 30.935 32.500 0.262 0.000 1.230 180 K HN 0.369 nan 8.250 nan 0.000 0.488 181 D N 0.252 120.654 120.400 0.004 0.000 2.462 181 D HA 0.256 4.896 4.640 -0.000 0.000 0.245 181 D C -1.762 174.334 176.300 -0.340 0.000 1.122 181 D CA -1.910 52.007 54.000 -0.140 0.000 0.864 181 D CB 1.282 42.053 40.800 -0.049 0.000 1.098 181 D HN -0.072 nan 8.370 nan 0.000 0.541 182 P HA 0.059 nan 4.420 nan 0.000 0.274 182 P C 0.914 178.035 177.300 -0.299 0.000 1.352 182 P CA -0.016 62.721 63.100 -0.604 0.000 0.947 182 P CB 0.311 31.320 31.700 -1.151 0.000 1.437 183 S N 0.405 115.981 115.700 -0.207 0.000 2.420 183 S HA -0.238 4.232 4.470 -0.000 0.000 0.237 183 S C 1.848 176.397 174.600 -0.086 0.000 1.023 183 S CA 1.212 59.338 58.200 -0.123 0.000 0.991 183 S CB -0.968 62.180 63.200 -0.086 0.000 0.792 183 S HN 0.288 nan 8.310 nan 0.000 0.488 184 Q N -0.060 119.693 119.800 -0.078 0.000 2.373 184 Q HA 0.094 4.434 4.340 -0.000 0.000 0.210 184 Q C 1.905 177.918 176.000 0.021 0.000 0.913 184 Q CA 0.363 56.145 55.803 -0.035 0.000 0.911 184 Q CB -0.007 28.698 28.738 -0.054 0.000 1.040 184 Q HN 0.473 nan 8.270 nan 0.000 0.521 185 E N 1.640 121.850 120.200 0.015 0.000 2.035 185 E HA -0.216 4.134 4.350 -0.000 0.000 0.204 185 E C 2.083 178.750 176.600 0.112 0.000 1.025 185 E CA 1.187 57.663 56.400 0.127 0.000 0.835 185 E CB -0.518 29.235 29.700 0.088 0.000 0.764 185 E HN 0.349 nan 8.360 nan 0.000 0.457 186 L N 0.564 121.775 121.223 -0.020 0.000 2.081 186 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 186 L C 2.657 179.452 176.870 -0.125 0.000 1.080 186 L CA 1.586 56.360 54.840 -0.110 0.000 0.754 186 L CB -0.426 41.532 42.059 -0.168 0.000 0.893 186 L HN 0.229 nan 8.230 nan 0.000 0.433 187 E N -0.084 120.086 120.200 -0.049 0.000 2.112 187 E HA -0.225 4.125 4.350 -0.000 0.000 0.190 187 E C 2.142 178.748 176.600 0.009 0.000 0.979 187 E CA 0.687 57.066 56.400 -0.035 0.000 0.814 187 E CB -0.038 29.659 29.700 -0.005 0.000 0.762 187 E HN 0.362 nan 8.360 nan 0.000 0.460 188 F N 1.490 121.403 119.950 -0.062 0.000 2.102 188 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 188 F C 1.844 177.623 175.800 -0.035 0.000 1.105 188 F CA 1.466 59.436 58.000 -0.050 0.000 1.239 188 F CB -0.272 38.699 39.000 -0.048 0.000 0.991 188 F HN -0.006 nan 8.300 nan 0.000 0.474 189 I N 0.440 120.884 120.570 -0.211 0.000 2.286 189 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 189 I C 2.678 178.602 176.117 -0.321 0.000 1.115 189 I CA 1.182 62.302 61.300 -0.300 0.000 1.392 189 I CB -0.956 36.975 38.000 -0.115 0.000 1.065 189 I HN 0.265 nan 8.210 nan 0.000 0.418 190 A N 0.474 123.147 122.820 -0.245 0.000 1.972 190 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 190 A C 1.903 179.413 177.584 -0.122 0.000 1.169 190 A CA 2.002 53.950 52.037 -0.149 0.000 0.635 190 A CB -0.492 18.441 19.000 -0.111 0.000 0.810 190 A HN 0.354 nan 8.150 nan 0.000 0.446 191 D N 0.043 120.337 120.400 -0.176 0.000 2.123 191 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 191 D C 1.904 178.088 176.300 -0.194 0.000 0.976 191 D CA 0.845 54.753 54.000 -0.152 0.000 0.831 191 D CB -0.269 40.448 40.800 -0.137 0.000 0.974 191 D HN 0.332 nan 8.370 nan 0.000 0.469 192 I N 0.951 121.322 120.570 -0.330 0.000 2.226 192 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 192 I C 2.367 178.390 176.117 -0.157 0.000 1.100 192 I CA 0.717 61.860 61.300 -0.262 0.000 1.374 192 I CB -0.876 36.932 38.000 -0.319 0.000 1.057 192 I HN 0.059 nan 8.210 nan 0.000 0.413 193 L N 0.472 121.580 121.223 -0.192 0.000 2.450 193 L HA -0.158 4.182 4.340 -0.000 0.000 0.224 193 L C 2.023 178.861 176.870 -0.054 0.000 1.149 193 L CA 0.571 55.321 54.840 -0.151 0.000 0.816 193 L CB -0.580 41.340 42.059 -0.231 0.000 0.932 193 L HN 0.337 nan 8.230 nan 0.000 0.449 194 N N 0.312 118.980 118.700 -0.054 0.000 2.416 194 N HA -0.128 4.612 4.740 -0.000 0.000 0.177 194 N C 1.762 177.266 175.510 -0.011 0.000 1.036 194 N CA 0.754 53.792 53.050 -0.020 0.000 0.901 194 N CB 0.281 38.755 38.487 -0.022 0.000 0.976 194 N HN 0.617 nan 8.380 nan 0.000 0.444 195 Q N -0.827 118.960 119.800 -0.021 0.000 2.402 195 Q HA 0.074 4.414 4.340 -0.000 0.000 0.206 195 Q C -0.590 175.419 176.000 0.016 0.000 0.919 195 Q CA 0.604 56.404 55.803 -0.003 0.000 0.923 195 Q CB 0.571 29.303 28.738 -0.010 0.000 1.048 195 Q HN -0.107 nan 8.270 nan 0.000 0.515 196 D N -0.403 120.008 120.400 0.019 0.000 2.333 196 D HA 0.244 4.884 4.640 -0.000 0.000 0.225 196 D C -0.475 175.863 176.300 0.065 0.000 1.345 196 D CA -0.101 53.928 54.000 0.049 0.000 0.971 196 D CB 1.246 42.082 40.800 0.060 0.000 1.451 196 D HN 0.097 nan 8.370 nan 0.000 0.561 197 A N 3.503 126.382 122.820 0.099 0.000 2.248 197 A HA -0.035 4.285 4.320 -0.000 0.000 0.210 197 A C 1.306 179.107 177.584 0.362 0.000 1.174 197 A CA 0.830 52.973 52.037 0.176 0.000 0.750 197 A CB 0.027 19.123 19.000 0.159 0.000 0.780 197 A HN 0.453 nan 8.150 nan 0.000 0.478 198 K N -0.218 120.347 120.400 0.276 0.000 2.447 198 K HA 0.081 4.401 4.320 -0.000 0.000 0.205 198 K C 0.059 176.840 176.600 0.302 0.000 1.059 198 K CA -0.434 56.047 56.287 0.323 0.000 1.065 198 K CB 0.243 32.852 32.500 0.182 0.000 0.885 198 K HN 0.272 nan 8.250 nan 0.000 0.545 199 N N 1.631 120.457 118.700 0.210 0.000 2.394 199 N HA -0.136 4.604 4.740 -0.000 0.000 0.277 199 N C 0.514 176.105 175.510 0.136 0.000 1.346 199 N CA 0.478 53.609 53.050 0.135 0.000 0.910 199 N CB 0.146 38.663 38.487 0.050 0.000 1.201 199 N HN 0.190 nan 8.380 nan 0.000 0.488 200 Y N 4.601 124.890 120.300 -0.017 0.000 2.207 200 Y HA -0.268 4.282 4.550 -0.000 0.000 0.287 200 Y C 2.085 177.814 175.900 -0.286 0.000 1.156 200 Y CA 1.767 59.803 58.100 -0.107 0.000 1.182 200 Y CB 0.026 38.354 38.460 -0.221 0.000 0.979 200 Y HN 0.713 nan 8.280 nan 0.000 0.521 201 H N -1.263 117.668 119.070 -0.230 0.000 2.352 201 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 201 H C 2.335 177.007 175.328 -1.094 0.000 1.097 201 H CA 1.283 56.881 56.048 -0.750 0.000 1.311 201 H CB -0.659 28.372 29.762 -1.218 0.000 1.377 201 H HN 0.490 nan 8.280 nan 0.000 0.504 202 A N 0.839 123.181 122.820 -0.797 0.000 1.877 202 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 202 A C 2.301 179.597 177.584 -0.479 0.000 1.186 202 A CA 1.292 52.884 52.037 -0.741 0.000 0.620 202 A CB -1.187 17.530 19.000 -0.470 0.000 0.822 202 A HN 0.437 nan 8.150 nan 0.000 0.443 203 W N -0.350 120.772 121.300 -0.297 0.000 2.363 203 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 203 W C 2.647 178.986 176.519 -0.301 0.000 1.212 203 W CA 1.379 58.560 57.345 -0.273 0.000 1.260 203 W CB -0.147 29.108 29.460 -0.342 0.000 1.131 203 W HN 0.464 nan 8.180 nan 0.000 0.530 204 Q N -0.544 119.168 119.800 -0.147 0.000 2.084 204 Q HA -0.289 4.051 4.340 -0.000 0.000 0.202 204 Q C 2.062 178.068 176.000 0.010 0.000 0.978 204 Q CA 1.986 57.722 55.803 -0.111 0.000 0.844 204 Q CB -0.319 28.362 28.738 -0.094 0.000 0.898 204 Q HN 0.397 nan 8.270 nan 0.000 0.426 205 H N -0.086 118.914 119.070 -0.117 0.000 2.389 205 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 205 H C 2.082 177.515 175.328 0.175 0.000 1.081 205 H CA 1.819 57.914 56.048 0.079 0.000 1.345 205 H CB 0.143 29.950 29.762 0.074 0.000 1.393 205 H HN 0.080 nan 8.280 nan 0.000 0.520 206 R N 0.079 120.625 120.500 0.078 0.000 2.081 206 R HA -0.138 4.201 4.340 -0.000 0.000 0.235 206 R C 2.231 178.534 176.300 0.005 0.000 1.131 206 R CA 1.840 57.952 56.100 0.020 0.000 0.960 206 R CB 0.003 30.274 30.300 -0.049 0.000 0.856 206 R HN 0.515 nan 8.270 nan 0.000 0.436 207 Q N -1.042 118.739 119.800 -0.032 0.000 2.119 207 Q HA -0.217 4.123 4.340 -0.000 0.000 0.201 207 Q C 1.703 177.737 176.000 0.058 0.000 0.972 207 Q CA 1.591 57.316 55.803 -0.130 0.000 0.847 207 Q CB -0.224 28.198 28.738 -0.525 0.000 0.903 207 Q HN 0.468 nan 8.270 nan 0.000 0.433 208 W N 0.901 122.154 121.300 -0.079 0.000 2.355 208 W HA -0.214 4.446 4.660 -0.000 0.000 0.309 208 W C 1.806 178.308 176.519 -0.028 0.000 1.206 208 W CA 1.385 58.706 57.345 -0.040 0.000 1.284 208 W CB -0.421 28.993 29.460 -0.077 0.000 1.145 208 W HN -0.180 nan 8.180 nan 0.000 0.502 209 V N 1.553 121.336 119.914 -0.218 0.000 2.255 209 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 209 V C 2.337 178.250 176.094 -0.302 0.000 1.051 209 V CA 2.378 64.447 62.300 -0.386 0.000 1.018 209 V CB -1.087 30.632 31.823 -0.172 0.000 0.641 209 V HN 0.240 nan 8.190 nan 0.000 0.445 210 I N -0.378 120.025 120.570 -0.277 0.000 2.194 210 I HA -0.356 3.814 4.170 -0.000 0.000 0.246 210 I C 2.658 178.366 176.117 -0.682 0.000 1.093 210 I CA 2.093 63.102 61.300 -0.484 0.000 1.355 210 I CB -0.330 37.383 38.000 -0.477 0.000 1.046 210 I HN 0.385 nan 8.210 nan 0.000 0.413 211 Q N 0.798 120.353 119.800 -0.409 0.000 2.046 211 Q HA -0.259 4.081 4.340 -0.000 0.000 0.200 211 Q C 2.072 177.930 176.000 -0.238 0.000 0.975 211 Q CA 1.646 57.338 55.803 -0.186 0.000 0.836 211 Q CB 0.013 28.814 28.738 0.105 0.000 0.896 211 Q HN 0.265 nan 8.270 nan 0.000 0.428 212 E N -0.722 119.200 120.200 -0.463 0.000 2.150 212 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 212 E C 0.338 176.463 176.600 -0.792 0.000 0.985 212 E CA 1.146 57.133 56.400 -0.687 0.000 0.814 212 E CB 0.044 29.025 29.700 -1.198 0.000 0.752 212 E HN 0.439 nan 8.360 nan 0.000 0.466 213 F N -0.611 119.114 119.950 -0.375 0.000 2.683 213 F HA 0.396 4.923 4.527 -0.000 0.000 0.306 213 F C 0.282 175.954 175.800 -0.213 0.000 1.102 213 F CA -0.333 57.515 58.000 -0.254 0.000 1.244 213 F CB 0.204 39.051 39.000 -0.256 0.000 1.029 213 F HN -0.215 nan 8.300 nan 0.000 0.545 214 R N 1.745 122.162 120.500 -0.140 0.000 3.188 214 R HA -0.185 4.155 4.340 -0.000 0.000 0.247 214 R C -1.069 175.111 176.300 -0.201 0.000 0.918 214 R CA 0.134 56.163 56.100 -0.120 0.000 0.629 214 R CB -1.518 28.840 30.300 0.097 0.000 1.087 214 R HN 0.407 nan 8.270 nan 0.000 0.462 215 L N 1.048 121.998 121.223 -0.455 0.000 2.956 215 L HA 0.183 4.523 4.340 -0.000 0.000 0.232 215 L C 0.739 177.417 176.870 -0.320 0.000 1.291 215 L CA -0.498 54.171 54.840 -0.285 0.000 1.122 215 L CB -0.020 41.905 42.059 -0.224 0.000 1.461 215 L HN 0.395 nan 8.230 nan 0.000 0.470 216 W N -0.570 120.712 121.300 -0.028 0.000 2.576 216 W HA -0.023 4.637 4.660 0.000 0.000 0.270 216 W C 1.846 178.345 176.519 -0.034 0.000 1.255 216 W CA -0.166 57.153 57.345 -0.044 0.000 1.314 216 W CB -0.054 29.353 29.460 -0.089 0.000 1.101 216 W HN 0.326 nan 8.180 nan 0.000 0.595 217 D N 0.900 121.401 120.400 0.168 0.000 2.200 217 D HA -0.241 4.399 4.640 -0.000 0.000 0.192 217 D C 0.998 177.338 176.300 0.066 0.000 1.008 217 D CA 1.768 55.823 54.000 0.092 0.000 0.872 217 D CB -0.605 40.227 40.800 0.053 0.000 0.923 217 D HN 0.309 nan 8.370 nan 0.000 0.447 218 N N -0.866 117.868 118.700 0.056 0.000 2.171 218 N HA 0.016 4.756 4.740 -0.000 0.000 0.212 218 N C 1.115 176.681 175.510 0.094 0.000 1.184 218 N CA -0.054 53.030 53.050 0.056 0.000 0.888 218 N CB 0.646 39.151 38.487 0.031 0.000 1.038 218 N HN -0.013 nan 8.380 nan 0.000 0.517 219 E N 0.881 121.151 120.200 0.117 0.000 2.077 219 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 219 E C 1.548 178.262 176.600 0.190 0.000 0.989 219 E CA 0.694 57.206 56.400 0.187 0.000 0.800 219 E CB -0.142 29.689 29.700 0.217 0.000 0.746 219 E HN 0.213 nan 8.360 nan 0.000 0.452 220 L N 0.822 122.112 121.223 0.112 0.000 2.191 220 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 220 L C 2.270 179.140 176.870 -0.001 0.000 1.103 220 L CA 1.876 56.734 54.840 0.029 0.000 0.769 220 L CB -0.470 41.572 42.059 -0.027 0.000 0.908 220 L HN 0.261 nan 8.230 nan 0.000 0.438 221 Q N -2.124 117.701 119.800 0.042 0.000 2.137 221 Q HA -0.248 4.092 4.340 -0.000 0.000 0.198 221 Q C 2.218 178.256 176.000 0.064 0.000 0.960 221 Q CA 1.420 57.241 55.803 0.030 0.000 0.847 221 Q CB -0.317 28.448 28.738 0.044 0.000 0.915 221 Q HN 0.612 nan 8.270 nan 0.000 0.448 222 Y N 0.534 120.837 120.300 0.005 0.000 2.181 222 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 222 Y C 1.943 177.857 175.900 0.024 0.000 1.146 222 Y CA 1.406 59.519 58.100 0.022 0.000 1.164 222 Y CB -0.347 38.140 38.460 0.045 0.000 0.982 222 Y HN -0.062 nan 8.280 nan 0.000 0.515 223 V N 0.483 120.381 119.914 -0.026 0.000 2.295 223 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 223 V C 2.205 178.168 176.094 -0.218 0.000 1.049 223 V CA 2.277 64.491 62.300 -0.144 0.000 1.024 223 V CB -0.623 31.147 31.823 -0.088 0.000 0.648 223 V HN 0.407 nan 8.190 nan 0.000 0.447 224 D N -0.302 120.000 120.400 -0.164 0.000 2.149 224 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 224 D C 2.456 178.691 176.300 -0.109 0.000 0.990 224 D CA 1.878 55.800 54.000 -0.130 0.000 0.839 224 D CB 0.041 40.783 40.800 -0.097 0.000 0.948 224 D HN 0.604 nan 8.370 nan 0.000 0.460 225 Q N 0.723 120.447 119.800 -0.127 0.000 2.046 225 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 225 Q C 2.451 178.355 176.000 -0.160 0.000 0.975 225 Q CA 0.796 56.528 55.803 -0.119 0.000 0.836 225 Q CB -0.936 27.740 28.738 -0.103 0.000 0.896 225 Q HN 0.346 nan 8.270 nan 0.000 0.428 226 L N -0.226 120.839 121.223 -0.265 0.000 2.141 226 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 226 L C 2.641 179.417 176.870 -0.157 0.000 1.094 226 L CA 0.742 55.447 54.840 -0.226 0.000 0.763 226 L CB -0.206 41.677 42.059 -0.293 0.000 0.908 226 L HN 0.374 nan 8.230 nan 0.000 0.437 227 L N -0.407 120.700 121.223 -0.193 0.000 2.275 227 L HA -0.189 4.150 4.340 -0.000 0.000 0.215 227 L C 2.411 179.226 176.870 -0.093 0.000 1.119 227 L CA 1.078 55.804 54.840 -0.190 0.000 0.790 227 L CB -0.246 41.632 42.059 -0.303 0.000 0.919 227 L HN 0.251 nan 8.230 nan 0.000 0.443 228 K N -0.306 120.050 120.400 -0.074 0.000 2.167 228 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 228 K C 1.803 178.387 176.600 -0.026 0.000 1.052 228 K CA 0.768 57.032 56.287 -0.039 0.000 0.956 228 K CB 0.117 32.598 32.500 -0.031 0.000 0.735 228 K HN 0.354 nan 8.250 nan 0.000 0.451 229 E N 0.499 120.678 120.200 -0.035 0.000 2.152 229 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 229 E C -0.041 176.560 176.600 0.001 0.000 0.983 229 E CA 0.761 57.151 56.400 -0.017 0.000 0.818 229 E CB 0.234 29.919 29.700 -0.024 0.000 0.758 229 E HN 0.085 nan 8.360 nan 0.000 0.467 230 D N -0.510 119.890 120.400 0.001 0.000 2.362 230 D HA -0.024 4.616 4.640 -0.000 0.000 0.232 230 D C -0.103 176.225 176.300 0.046 0.000 1.329 230 D CA -0.176 53.842 54.000 0.030 0.000 0.944 230 D CB 1.098 41.922 40.800 0.041 0.000 1.471 230 D HN -0.125 nan 8.370 nan 0.000 0.533 231 V N 4.422 124.378 119.914 0.070 0.000 3.186 231 V HA -0.011 4.109 4.120 -0.000 0.000 0.270 231 V C 1.608 177.866 176.094 0.274 0.000 1.149 231 V CA 1.511 63.901 62.300 0.150 0.000 1.160 231 V CB -0.352 31.553 31.823 0.136 0.000 0.758 231 V HN 0.432 nan 8.190 nan 0.000 0.516 232 R N 0.235 120.837 120.500 0.169 0.000 2.334 232 R HA 0.139 4.479 4.340 -0.000 0.000 0.216 232 R C 0.723 177.111 176.300 0.147 0.000 0.905 232 R CA -0.185 56.004 56.100 0.148 0.000 1.064 232 R CB -0.090 30.268 30.300 0.097 0.000 1.046 232 R HN 0.368 nan 8.270 nan 0.000 0.508 233 N N 1.707 120.495 118.700 0.147 0.000 2.400 233 N HA -0.071 4.669 4.740 -0.000 0.000 0.267 233 N C 0.424 176.013 175.510 0.133 0.000 1.208 233 N CA 0.274 53.385 53.050 0.101 0.000 0.951 233 N CB 0.609 39.131 38.487 0.058 0.000 1.227 233 N HN 0.037 nan 8.380 nan 0.000 0.488 234 N N 1.931 120.688 118.700 0.095 0.000 2.272 234 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 234 N C 1.100 176.584 175.510 -0.042 0.000 1.014 234 N CA 1.253 54.351 53.050 0.080 0.000 0.870 234 N CB 0.240 38.739 38.487 0.019 0.000 0.975 234 N HN 0.382 nan 8.380 nan 0.000 0.433 235 S N -1.025 114.552 115.700 -0.204 0.000 2.382 235 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 235 S C 1.942 176.055 174.600 -0.812 0.000 1.027 235 S CA 0.942 58.778 58.200 -0.607 0.000 0.991 235 S CB -0.178 62.502 63.200 -0.867 0.000 0.823 235 S HN 0.187 nan 8.310 nan 0.000 0.469 236 V N -0.188 119.411 119.914 -0.525 0.000 2.453 236 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 236 V C 1.838 177.709 176.094 -0.372 0.000 1.048 236 V CA 1.229 63.244 62.300 -0.474 0.000 1.049 236 V CB -0.788 30.849 31.823 -0.310 0.000 0.672 236 V HN 0.565 nan 8.190 nan 0.000 0.457 237 W N 0.603 121.763 121.300 -0.233 0.000 2.363 237 W HA -0.147 4.513 4.660 -0.000 0.000 0.296 237 W C 2.497 178.950 176.519 -0.111 0.000 1.212 237 W CA 1.701 58.920 57.345 -0.210 0.000 1.260 237 W CB -0.517 28.841 29.460 -0.171 0.000 1.131 237 W HN 0.298 nan 8.180 nan 0.000 0.530 238 N N 0.100 118.835 118.700 0.058 0.000 2.142 238 N HA -0.234 4.506 4.740 -0.000 0.000 0.186 238 N C 1.732 177.299 175.510 0.095 0.000 1.023 238 N CA 1.642 54.731 53.050 0.064 0.000 0.852 238 N CB -0.321 38.112 38.487 -0.090 0.000 0.998 238 N HN 0.015 nan 8.380 nan 0.000 0.424 239 Q N 0.770 120.516 119.800 -0.091 0.000 2.084 239 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 239 Q C 2.093 178.234 176.000 0.236 0.000 0.978 239 Q CA 1.438 57.281 55.803 0.067 0.000 0.844 239 Q CB -0.232 28.468 28.738 -0.062 0.000 0.898 239 Q HN 0.326 nan 8.270 nan 0.000 0.426 240 R N -0.992 119.556 120.500 0.080 0.000 2.083 240 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 240 R C 2.388 178.855 176.300 0.277 0.000 1.137 240 R CA 1.724 57.861 56.100 0.063 0.000 0.951 240 R CB -0.495 29.683 30.300 -0.203 0.000 0.851 240 R HN 0.511 nan 8.270 nan 0.000 0.434 241 H N -0.421 118.874 119.070 0.375 0.000 2.421 241 H HA -0.173 4.383 4.556 -0.000 0.000 0.298 241 H C 1.801 177.363 175.328 0.389 0.000 1.087 241 H CA 1.778 58.139 56.048 0.522 0.000 1.330 241 H CB -0.171 29.898 29.762 0.511 0.000 1.388 241 H HN 0.248 nan 8.280 nan 0.000 0.526 242 F N 1.132 121.272 119.950 0.316 0.000 2.075 242 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 242 F C 2.355 178.280 175.800 0.209 0.000 1.113 242 F CA 1.485 59.646 58.000 0.267 0.000 1.218 242 F CB -0.848 38.309 39.000 0.262 0.000 0.984 242 F HN -0.051 nan 8.300 nan 0.000 0.472 243 V N 1.186 121.178 119.914 0.130 0.000 2.237 243 V HA -0.330 3.790 4.120 -0.000 0.000 0.245 243 V C 2.537 178.483 176.094 -0.248 0.000 1.046 243 V CA 2.351 64.648 62.300 -0.005 0.000 1.007 243 V CB -0.740 31.173 31.823 0.150 0.000 0.638 243 V HN 0.393 nan 8.190 nan 0.000 0.445 244 I N 1.175 121.626 120.570 -0.198 0.000 2.127 244 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 244 I C 2.644 178.470 176.117 -0.486 0.000 1.075 244 I CA 2.061 63.131 61.300 -0.383 0.000 1.334 244 I CB -0.595 37.117 38.000 -0.480 0.000 1.040 244 I HN 0.498 nan 8.210 nan 0.000 0.405 245 S N 0.305 115.774 115.700 -0.385 0.000 2.469 245 S HA -0.095 4.375 4.470 -0.000 0.000 0.238 245 S C 1.487 175.887 174.600 -0.333 0.000 0.998 245 S CA 0.923 58.953 58.200 -0.284 0.000 0.957 245 S CB -0.403 62.702 63.200 -0.157 0.000 0.764 245 S HN 0.444 nan 8.310 nan 0.000 0.514 246 N N 1.094 119.475 118.700 -0.531 0.000 2.236 246 N HA 0.116 4.856 4.740 -0.000 0.000 0.196 246 N C 1.165 176.112 175.510 -0.937 0.000 1.114 246 N CA 1.100 53.680 53.050 -0.783 0.000 0.859 246 N CB 0.778 38.498 38.487 -1.279 0.000 0.982 246 N HN 0.820 nan 8.380 nan 0.000 0.493 247 T N -2.908 111.227 114.554 -0.698 0.000 3.257 247 T HA -0.008 4.342 4.350 -0.000 0.000 0.176 247 T C 1.931 176.408 174.700 -0.372 0.000 0.892 247 T CA 0.883 62.642 62.100 -0.569 0.000 1.147 247 T CB -0.667 67.912 68.868 -0.482 0.000 1.840 247 T HN 0.006 nan 8.240 nan 0.000 0.375 248 T N -0.332 114.026 114.554 -0.328 0.000 2.904 248 T HA 0.419 4.769 4.350 -0.000 0.000 0.267 248 T C 1.503 176.045 174.700 -0.263 0.000 1.059 248 T CA 1.039 62.982 62.100 -0.262 0.000 1.137 248 T CB -1.311 67.412 68.868 -0.243 0.000 0.879 248 T HN 1.738 nan 8.240 nan 0.000 0.467 249 G N 0.234 108.824 108.800 -0.350 0.000 2.757 249 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.638 249 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.638 249 G C -0.209 174.473 174.900 -0.363 0.000 1.344 249 G CA -0.136 44.795 45.100 -0.281 0.000 0.855 249 G HN 0.356 nan 8.290 nan 0.000 0.537 250 Y N 0.441 120.686 120.300 -0.091 0.000 2.445 250 Y HA 0.241 4.791 4.550 -0.000 0.000 0.247 250 Y C 2.794 178.674 175.900 -0.033 0.000 1.129 250 Y CA 0.978 59.039 58.100 -0.065 0.000 1.251 250 Y CB 0.647 39.067 38.460 -0.066 0.000 1.176 250 Y HN 0.720 nan 8.280 nan 0.000 0.522 251 S N -1.001 114.752 115.700 0.090 0.000 2.474 251 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 251 S C 0.654 175.276 174.600 0.037 0.000 0.997 251 S CA 0.648 58.886 58.200 0.062 0.000 0.949 251 S CB -0.310 62.910 63.200 0.034 0.000 0.766 251 S HN 0.330 nan 8.310 nan 0.000 0.517 252 D N 1.735 122.139 120.400 0.007 0.000 2.344 252 D HA 0.185 4.824 4.640 -0.000 0.000 0.253 252 D C 1.044 177.355 176.300 0.018 0.000 1.255 252 D CA -0.296 53.701 54.000 -0.006 0.000 0.894 252 D CB 0.479 41.253 40.800 -0.044 0.000 1.067 252 D HN 0.145 nan 8.370 nan 0.000 0.492 253 R N 2.870 123.391 120.500 0.034 0.000 2.185 253 R HA -0.211 4.129 4.340 -0.000 0.000 0.247 253 R C 1.816 178.139 176.300 0.038 0.000 1.159 253 R CA 1.576 57.707 56.100 0.052 0.000 0.988 253 R CB -0.113 30.220 30.300 0.055 0.000 0.871 253 R HN 0.531 nan 8.270 nan 0.000 0.458 254 A N 0.319 123.149 122.820 0.016 0.000 1.929 254 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 254 A C 2.293 179.878 177.584 0.003 0.000 1.176 254 A CA 1.119 53.161 52.037 0.008 0.000 0.628 254 A CB -0.195 18.802 19.000 -0.006 0.000 0.816 254 A HN 0.115 nan 8.150 nan 0.000 0.444 255 V N -0.339 119.568 119.914 -0.013 0.000 2.379 255 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 255 V C 2.443 178.556 176.094 0.031 0.000 1.044 255 V CA 1.696 63.976 62.300 -0.033 0.000 1.036 255 V CB -0.775 30.980 31.823 -0.114 0.000 0.664 255 V HN 0.553 nan 8.190 nan 0.000 0.453 256 L N 0.583 121.850 121.223 0.073 0.000 2.042 256 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 256 L C 2.462 179.374 176.870 0.069 0.000 1.076 256 L CA 2.378 57.291 54.840 0.122 0.000 0.749 256 L CB -0.712 41.407 42.059 0.100 0.000 0.893 256 L HN 0.483 nan 8.230 nan 0.000 0.432 257 E N -0.689 119.540 120.200 0.048 0.000 2.077 257 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 257 E C 2.434 179.064 176.600 0.050 0.000 0.989 257 E CA 1.017 57.438 56.400 0.036 0.000 0.800 257 E CB -0.208 29.513 29.700 0.035 0.000 0.746 257 E HN 0.477 nan 8.360 nan 0.000 0.452 258 R N 0.312 120.843 120.500 0.052 0.000 2.083 258 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 258 R C 2.063 178.437 176.300 0.123 0.000 1.137 258 R CA 1.684 57.820 56.100 0.061 0.000 0.951 258 R CB -0.041 30.272 30.300 0.021 0.000 0.851 258 R HN 0.142 nan 8.270 nan 0.000 0.434 259 E N 0.138 120.429 120.200 0.151 0.000 2.047 259 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 259 E C 2.104 178.876 176.600 0.287 0.000 0.987 259 E CA 1.089 57.659 56.400 0.282 0.000 0.799 259 E CB -0.316 29.612 29.700 0.380 0.000 0.752 259 E HN 0.187 nan 8.360 nan 0.000 0.449 260 V N 1.162 121.158 119.914 0.136 0.000 2.407 260 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 260 V C 2.500 178.614 176.094 0.034 0.000 1.055 260 V CA 1.822 64.146 62.300 0.040 0.000 1.049 260 V CB -0.410 31.375 31.823 -0.064 0.000 0.662 260 V HN 0.197 nan 8.190 nan 0.000 0.455 261 Q N -0.959 118.879 119.800 0.063 0.000 2.083 261 Q HA -0.197 4.143 4.340 -0.000 0.000 0.198 261 Q C 2.059 178.102 176.000 0.071 0.000 0.969 261 Q CA 1.819 57.646 55.803 0.039 0.000 0.838 261 Q CB -0.468 28.298 28.738 0.047 0.000 0.900 261 Q HN 0.747 nan 8.270 nan 0.000 0.436 262 Y N 0.093 120.412 120.300 0.032 0.000 2.181 262 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 262 Y C 2.032 177.976 175.900 0.074 0.000 1.146 262 Y CA 2.156 60.282 58.100 0.044 0.000 1.164 262 Y CB -0.449 38.049 38.460 0.063 0.000 0.982 262 Y HN 0.102 nan 8.280 nan 0.000 0.515 263 T N 1.175 115.819 114.554 0.150 0.000 2.737 263 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 263 T C 2.033 176.619 174.700 -0.191 0.000 1.038 263 T CA 1.657 63.795 62.100 0.063 0.000 1.144 263 T CB -0.565 68.415 68.868 0.187 0.000 0.866 263 T HN 0.313 nan 8.240 nan 0.000 0.434 264 L N 0.905 122.009 121.223 -0.199 0.000 2.127 264 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 264 L C 2.816 179.547 176.870 -0.231 0.000 1.089 264 L CA 1.016 55.691 54.840 -0.274 0.000 0.757 264 L CB -0.470 41.458 42.059 -0.218 0.000 0.899 264 L HN 0.189 nan 8.230 nan 0.000 0.434 265 E N -0.434 119.649 120.200 -0.194 0.000 2.107 265 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 265 E C 2.260 178.748 176.600 -0.186 0.000 0.982 265 E CA 1.026 57.321 56.400 -0.176 0.000 0.809 265 E CB -0.124 29.474 29.700 -0.170 0.000 0.756 265 E HN 0.391 nan 8.360 nan 0.000 0.459 266 M N 0.185 119.641 119.600 -0.241 0.000 2.175 266 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 266 M C 2.424 178.652 176.300 -0.119 0.000 1.063 266 M CA 0.897 56.102 55.300 -0.158 0.000 1.119 266 M CB -0.771 31.791 32.600 -0.064 0.000 1.377 266 M HN 0.067 nan 8.290 nan 0.000 0.415 267 I N 0.639 121.077 120.570 -0.220 0.000 2.286 267 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 267 I C 2.856 178.947 176.117 -0.044 0.000 1.115 267 I CA 1.654 62.812 61.300 -0.236 0.000 1.392 267 I CB -0.666 37.000 38.000 -0.556 0.000 1.065 267 I HN 0.335 nan 8.210 nan 0.000 0.418 268 K N 0.630 120.985 120.400 -0.075 0.000 2.148 268 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 268 K C 1.806 178.494 176.600 0.147 0.000 1.050 268 K CA 1.223 57.525 56.287 0.025 0.000 0.942 268 K CB -0.870 31.568 32.500 -0.103 0.000 0.724 268 K HN 0.155 nan 8.250 nan 0.000 0.446 269 L N -0.516 120.739 121.223 0.054 0.000 2.131 269 L HA 0.112 4.452 4.340 -0.000 0.000 0.206 269 L C 0.439 177.356 176.870 0.077 0.000 1.087 269 L CA 1.016 55.889 54.840 0.056 0.000 0.767 269 L CB 0.646 42.713 42.059 0.014 0.000 0.917 269 L HN 0.147 nan 8.230 nan 0.000 0.441 270 V N 0.750 120.716 119.914 0.087 0.000 2.558 270 V HA 0.202 4.322 4.120 -0.000 0.000 0.261 270 V C -1.585 174.607 176.094 0.164 0.000 0.958 270 V CA -0.778 61.592 62.300 0.116 0.000 0.852 270 V CB 1.377 33.258 31.823 0.098 0.000 1.067 270 V HN 0.021 nan 8.190 nan 0.000 0.468 271 P HA -0.178 nan 4.420 nan 0.000 0.217 271 P C 0.533 178.116 177.300 0.473 0.000 1.148 271 P CA 1.222 64.539 63.100 0.362 0.000 0.828 271 P CB 0.304 32.212 31.700 0.347 0.000 0.783 272 H N 0.325 119.570 119.070 0.290 0.000 2.820 272 H HA 0.393 4.949 4.556 -0.000 0.000 0.248 272 H C -0.603 174.888 175.328 0.273 0.000 1.714 272 H CA -0.435 55.827 56.048 0.357 0.000 1.334 272 H CB -1.077 28.828 29.762 0.239 0.000 1.693 272 H HN -0.112 nan 8.280 nan 0.000 0.548 273 N N 2.614 121.332 118.700 0.031 0.000 2.621 273 N HA 0.011 4.751 4.740 -0.000 0.000 0.271 273 N C 0.555 175.798 175.510 -0.446 0.000 1.181 273 N CA -0.387 52.569 53.050 -0.157 0.000 0.805 273 N CB 0.893 39.341 38.487 -0.064 0.000 1.351 273 N HN 0.646 nan 8.380 nan 0.000 0.539 274 E N 1.223 120.935 120.200 -0.815 0.000 2.097 274 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 274 E C 0.756 177.091 176.600 -0.441 0.000 1.000 274 E CA 1.368 57.230 56.400 -0.896 0.000 0.804 274 E CB 0.331 29.667 29.700 -0.607 0.000 0.740 274 E HN 0.597 nan 8.360 nan 0.000 0.454 275 S N 0.292 115.751 115.700 -0.403 0.000 2.359 275 S HA -0.233 4.237 4.470 -0.000 0.000 0.223 275 S C 2.031 176.089 174.600 -0.904 0.000 1.039 275 S CA 1.234 59.132 58.200 -0.503 0.000 1.042 275 S CB -0.334 62.608 63.200 -0.431 0.000 0.915 275 S HN 0.487 nan 8.310 nan 0.000 0.439 276 A N 0.428 122.587 122.820 -1.102 0.000 1.877 276 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 276 A C 1.874 179.031 177.584 -0.712 0.000 1.186 276 A CA 1.420 52.648 52.037 -1.348 0.000 0.620 276 A CB -1.101 17.338 19.000 -0.935 0.000 0.822 276 A HN 0.677 nan 8.150 nan 0.000 0.443 277 W N 0.322 121.362 121.300 -0.433 0.000 2.363 277 W HA -0.111 4.549 4.660 -0.000 0.000 0.296 277 W C 2.082 178.543 176.519 -0.097 0.000 1.212 277 W CA 1.098 58.324 57.345 -0.198 0.000 1.260 277 W CB -0.272 29.096 29.460 -0.154 0.000 1.131 277 W HN 0.320 nan 8.180 nan 0.000 0.530 278 N N -0.900 117.811 118.700 0.019 0.000 2.188 278 N HA -0.214 4.526 4.740 -0.000 0.000 0.184 278 N C 1.366 176.888 175.510 0.021 0.000 1.018 278 N CA 1.305 54.365 53.050 0.015 0.000 0.858 278 N CB -1.021 37.437 38.487 -0.049 0.000 0.989 278 N HN 0.218 nan 8.380 nan 0.000 0.426 279 Y N 1.186 121.384 120.300 -0.170 0.000 2.163 279 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 279 Y C 2.202 178.088 175.900 -0.023 0.000 1.136 279 Y CA 0.973 59.033 58.100 -0.065 0.000 1.147 279 Y CB -0.588 37.859 38.460 -0.023 0.000 0.987 279 Y HN -0.016 nan 8.280 nan 0.000 0.509 280 L N 1.241 122.464 121.223 -0.000 0.000 2.013 280 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 280 L C 2.446 179.367 176.870 0.086 0.000 1.073 280 L CA 2.379 57.204 54.840 -0.025 0.000 0.753 280 L CB -0.952 41.053 42.059 -0.090 0.000 0.890 280 L HN 0.281 nan 8.230 nan 0.000 0.432 281 K N -1.139 119.408 120.400 0.244 0.000 2.097 281 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 281 K C 1.986 178.554 176.600 -0.053 0.000 1.050 281 K CA 1.113 57.478 56.287 0.129 0.000 0.938 281 K CB -0.507 32.008 32.500 0.025 0.000 0.718 281 K HN 0.501 nan 8.250 nan 0.000 0.442 282 G N 2.154 110.893 108.800 -0.101 0.000 2.446 282 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 282 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 282 G C 1.452 176.206 174.900 -0.243 0.000 1.168 282 G CA 1.129 46.125 45.100 -0.174 0.000 0.771 282 G HN 0.528 nan 8.290 nan 0.000 0.551 283 I N -2.230 118.112 120.570 -0.380 0.000 3.444 283 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 283 I C 1.773 177.720 176.117 -0.283 0.000 1.302 283 I CA 0.655 61.659 61.300 -0.493 0.000 1.368 283 I CB -0.018 37.496 38.000 -0.810 0.000 1.048 283 I HN 0.109 nan 8.210 nan 0.000 0.487 284 L N 0.493 121.614 121.223 -0.169 0.000 2.685 284 L HA 0.093 4.433 4.340 -0.000 0.000 0.235 284 L C 2.600 179.474 176.870 0.008 0.000 1.070 284 L CA 0.275 55.068 54.840 -0.078 0.000 0.888 284 L CB -0.221 41.778 42.059 -0.099 0.000 1.203 284 L HN 0.224 nan 8.230 nan 0.000 0.499 285 Q N 0.129 119.905 119.800 -0.041 0.000 2.197 285 Q HA -0.240 4.100 4.340 -0.000 0.000 0.207 285 Q C 0.816 176.814 176.000 -0.003 0.000 0.984 285 Q CA 1.977 57.759 55.803 -0.036 0.000 0.869 285 Q CB -0.285 28.411 28.738 -0.070 0.000 0.906 285 Q HN 0.368 nan 8.270 nan 0.000 0.426 286 D N 0.431 120.831 120.400 -0.000 0.000 2.323 286 D HA -0.029 4.611 4.640 -0.000 0.000 0.209 286 D C 1.756 178.080 176.300 0.039 0.000 0.973 286 D CA 0.499 54.508 54.000 0.015 0.000 0.874 286 D CB 0.122 40.927 40.800 0.008 0.000 0.930 286 D HN 0.378 nan 8.370 nan 0.000 0.521 287 R N 0.390 120.935 120.500 0.075 0.000 2.200 287 R HA 0.233 4.573 4.340 -0.000 0.000 0.208 287 R C 0.911 177.265 176.300 0.090 0.000 1.033 287 R CA 0.570 56.734 56.100 0.106 0.000 1.000 287 R CB -0.019 30.405 30.300 0.207 0.000 0.906 287 R HN 0.024 nan 8.270 nan 0.000 0.462 288 G N 1.655 110.518 108.800 0.106 0.000 3.224 288 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.684 288 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.684 288 G C 0.272 175.256 174.900 0.141 0.000 1.180 288 G CA -0.566 44.576 45.100 0.070 0.000 1.099 288 G HN 0.110 nan 8.290 nan 0.000 0.476 289 L N 1.483 122.781 121.223 0.124 0.000 2.127 289 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 289 L C 3.039 180.017 176.870 0.180 0.000 1.089 289 L CA 2.208 57.159 54.840 0.185 0.000 0.757 289 L CB -0.392 41.685 42.059 0.029 0.000 0.899 289 L HN 0.862 nan 8.230 nan 0.000 0.434 290 S N -0.697 115.046 115.700 0.072 0.000 2.555 290 S HA -0.108 4.362 4.470 -0.000 0.000 0.230 290 S C 1.836 176.425 174.600 -0.018 0.000 0.978 290 S CA 0.315 58.539 58.200 0.039 0.000 0.934 290 S CB -0.285 62.926 63.200 0.019 0.000 0.766 290 S HN 0.386 nan 8.310 nan 0.000 0.533 291 R N -0.215 120.215 120.500 -0.116 0.000 2.323 291 R HA 0.154 4.494 4.340 -0.000 0.000 0.198 291 R C -0.537 175.435 176.300 -0.547 0.000 0.988 291 R CA 0.415 56.305 56.100 -0.351 0.000 1.041 291 R CB -0.039 29.961 30.300 -0.500 0.000 0.926 291 R HN 0.517 nan 8.270 nan 0.000 0.476 292 Y N 0.340 120.659 120.300 0.032 0.000 2.836 292 Y HA 0.227 4.777 4.550 -0.000 0.000 0.359 292 Y C -1.523 174.396 175.900 0.032 0.000 1.060 292 Y CA -2.758 55.363 58.100 0.034 0.000 1.161 292 Y CB 0.775 39.262 38.460 0.045 0.000 1.225 292 Y HN -0.021 nan 8.280 nan 0.000 0.621 293 P HA -0.241 nan 4.420 nan 0.000 0.216 293 P C 0.675 178.022 177.300 0.078 0.000 1.154 293 P CA 1.668 64.811 63.100 0.072 0.000 0.865 293 P CB 0.595 32.318 31.700 0.038 0.000 0.789 294 N N -0.604 118.148 118.700 0.086 0.000 2.396 294 N HA -0.069 4.671 4.740 -0.000 0.000 0.180 294 N C 1.743 177.285 175.510 0.054 0.000 1.028 294 N CA 0.356 53.444 53.050 0.062 0.000 0.893 294 N CB -0.990 37.531 38.487 0.056 0.000 0.967 294 N HN 0.132 nan 8.380 nan 0.000 0.440 295 L N 0.451 121.725 121.223 0.084 0.000 2.072 295 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 295 L C 1.905 178.795 176.870 0.033 0.000 1.079 295 L CA 1.083 55.949 54.840 0.044 0.000 0.752 295 L CB -0.839 41.269 42.059 0.081 0.000 0.906 295 L HN 0.063 nan 8.230 nan 0.000 0.436 296 L N -0.003 121.260 121.223 0.066 0.000 2.043 296 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 296 L C 2.110 179.000 176.870 0.033 0.000 1.075 296 L CA 2.081 56.948 54.840 0.045 0.000 0.752 296 L CB -1.185 40.905 42.059 0.052 0.000 0.891 296 L HN 0.474 nan 8.230 nan 0.000 0.432 297 N N -1.344 117.378 118.700 0.036 0.000 2.106 297 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 297 N C 1.703 177.222 175.510 0.014 0.000 1.029 297 N CA 1.166 54.234 53.050 0.030 0.000 0.848 297 N CB -0.145 38.360 38.487 0.029 0.000 1.007 297 N HN 0.542 nan 8.380 nan 0.000 0.423 298 Q N 0.595 120.396 119.800 0.000 0.000 2.226 298 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 298 Q C 2.013 177.997 176.000 -0.026 0.000 0.975 298 Q CA 0.820 56.610 55.803 -0.022 0.000 0.866 298 Q CB 0.036 28.749 28.738 -0.042 0.000 0.915 298 Q HN 0.464 nan 8.270 nan 0.000 0.440 299 L N -0.138 121.075 121.223 -0.018 0.000 2.095 299 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 299 L C 2.202 179.087 176.870 0.025 0.000 1.080 299 L CA 0.592 55.434 54.840 0.003 0.000 0.759 299 L CB -0.304 41.752 42.059 -0.005 0.000 0.914 299 L HN 0.239 nan 8.230 nan 0.000 0.439 300 L N -0.111 121.128 121.223 0.025 0.000 2.127 300 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 300 L C 1.772 178.662 176.870 0.034 0.000 1.089 300 L CA 1.166 56.028 54.840 0.037 0.000 0.757 300 L CB -0.553 41.535 42.059 0.048 0.000 0.899 300 L HN 0.293 nan 8.230 nan 0.000 0.434 301 D N -0.493 119.922 120.400 0.025 0.000 2.277 301 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 301 D C 2.277 178.596 176.300 0.032 0.000 0.962 301 D CA 0.698 54.712 54.000 0.023 0.000 0.865 301 D CB 0.128 40.934 40.800 0.009 0.000 0.939 301 D HN 0.237 nan 8.370 nan 0.000 0.510 302 L N 0.071 121.313 121.223 0.032 0.000 2.209 302 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 302 L C 2.315 179.255 176.870 0.117 0.000 1.094 302 L CA 0.481 55.358 54.840 0.060 0.000 0.790 302 L CB -0.199 41.880 42.059 0.034 0.000 0.932 302 L HN 0.019 nan 8.230 nan 0.000 0.447 303 Q N 0.310 120.157 119.800 0.079 0.000 2.103 303 Q HA -0.272 4.068 4.340 -0.000 0.000 0.213 303 Q C -0.341 175.696 176.000 0.063 0.000 1.008 303 Q CA 2.519 58.358 55.803 0.061 0.000 0.879 303 Q CB -1.014 27.746 28.738 0.035 0.000 0.946 303 Q HN 0.368 nan 8.270 nan 0.000 0.413 304 P HA -0.215 nan 4.420 nan 0.000 0.215 304 P C 1.314 178.647 177.300 0.055 0.000 1.163 304 P CA 2.433 65.563 63.100 0.050 0.000 0.894 304 P CB -0.052 31.678 31.700 0.049 0.000 0.791 305 S N -2.487 113.273 115.700 0.100 0.000 2.559 305 S HA -0.015 4.455 4.470 -0.000 0.000 0.212 305 S C 1.237 175.859 174.600 0.036 0.000 0.994 305 S CA 0.103 58.339 58.200 0.059 0.000 0.903 305 S CB -1.490 61.752 63.200 0.070 0.000 0.861 305 S HN 0.127 nan 8.310 nan 0.000 0.601 306 H N 2.228 121.331 119.070 0.055 0.000 3.383 306 H HA 0.557 5.113 4.556 -0.000 0.000 0.283 306 H C 0.337 175.730 175.328 0.108 0.000 1.218 306 H CA 0.026 56.128 56.048 0.090 0.000 1.223 306 H CB -0.843 28.983 29.762 0.106 0.000 1.352 306 H HN 0.310 nan 8.280 nan 0.000 0.654 307 S N 1.024 116.807 115.700 0.138 0.000 2.603 307 S HA 0.536 5.006 4.470 -0.000 0.000 0.268 307 S C 0.209 174.848 174.600 0.064 0.000 1.317 307 S CA -0.016 58.230 58.200 0.076 0.000 1.012 307 S CB 0.411 63.624 63.200 0.021 0.000 0.926 307 S HN 0.626 nan 8.310 nan 0.000 0.539 308 S N 2.148 117.838 115.700 -0.017 0.000 2.633 308 S HA 0.424 4.894 4.470 -0.000 0.000 0.271 308 S C -2.719 171.736 174.600 -0.242 0.000 1.112 308 S CA -0.882 57.291 58.200 -0.045 0.000 0.828 308 S CB 1.123 64.383 63.200 0.099 0.000 1.086 308 S HN 0.452 nan 8.310 nan 0.000 0.461 309 P HA -0.088 nan 4.420 nan 0.000 0.220 309 P C 1.039 178.040 177.300 -0.499 0.000 1.148 309 P CA 1.266 64.110 63.100 -0.426 0.000 0.803 309 P CB -0.320 31.134 31.700 -0.411 0.000 0.782 310 Y N -0.171 119.873 120.300 -0.426 0.000 2.224 310 Y HA -0.120 4.430 4.550 -0.000 0.000 0.289 310 Y C 2.821 178.114 175.900 -1.013 0.000 1.146 310 Y CA 0.384 58.063 58.100 -0.702 0.000 1.182 310 Y CB -1.036 36.794 38.460 -1.050 0.000 0.983 310 Y HN -0.128 nan 8.280 nan 0.000 0.524 311 L N -0.224 120.400 121.223 -0.999 0.000 2.027 311 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 311 L C 2.064 178.738 176.870 -0.327 0.000 1.074 311 L CA 1.098 55.430 54.840 -0.846 0.000 0.745 311 L CB -0.306 41.499 42.059 -0.422 0.000 0.898 311 L HN 0.184 nan 8.230 nan 0.000 0.433 312 I N 0.663 121.063 120.570 -0.283 0.000 2.208 312 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 312 I C 2.883 178.871 176.117 -0.216 0.000 1.097 312 I CA 1.553 62.722 61.300 -0.218 0.000 1.363 312 I CB -1.997 35.841 38.000 -0.270 0.000 1.051 312 I HN 0.329 nan 8.210 nan 0.000 0.413 313 A N 0.461 123.135 122.820 -0.243 0.000 1.933 313 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 313 A C 2.345 179.910 177.584 -0.032 0.000 1.175 313 A CA 1.259 53.209 52.037 -0.144 0.000 0.628 313 A CB -1.070 17.939 19.000 0.014 0.000 0.814 313 A HN 0.355 nan 8.150 nan 0.000 0.444 314 F N 0.480 120.343 119.950 -0.145 0.000 2.102 314 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 314 F C 2.039 177.774 175.800 -0.108 0.000 1.105 314 F CA 1.814 59.779 58.000 -0.058 0.000 1.239 314 F CB -0.175 38.835 39.000 0.017 0.000 0.991 314 F HN 0.148 nan 8.300 nan 0.000 0.474 315 L N -0.734 120.540 121.223 0.085 0.000 2.013 315 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 315 L C 2.344 179.036 176.870 -0.296 0.000 1.073 315 L CA 1.247 55.986 54.840 -0.167 0.000 0.753 315 L CB -1.096 40.875 42.059 -0.147 0.000 0.890 315 L HN 0.005 nan 8.230 nan 0.000 0.432 316 V N -0.159 119.698 119.914 -0.096 0.000 2.282 316 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 316 V C 2.146 178.235 176.094 -0.008 0.000 1.057 316 V CA 2.096 64.407 62.300 0.019 0.000 1.032 316 V CB -0.583 31.237 31.823 -0.005 0.000 0.645 316 V HN 0.461 nan 8.190 nan 0.000 0.447 317 D N -0.345 120.009 120.400 -0.076 0.000 2.178 317 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 317 D C 2.050 178.269 176.300 -0.136 0.000 0.980 317 D CA 1.167 55.100 54.000 -0.111 0.000 0.842 317 D CB -0.105 40.566 40.800 -0.216 0.000 0.948 317 D HN 0.426 nan 8.370 nan 0.000 0.472 318 I N -0.156 120.301 120.570 -0.188 0.000 2.202 318 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 318 I C 2.165 178.233 176.117 -0.081 0.000 1.091 318 I CA 0.898 62.111 61.300 -0.146 0.000 1.368 318 I CB -0.319 37.576 38.000 -0.175 0.000 1.058 318 I HN 0.036 nan 8.210 nan 0.000 0.410 319 Y N 0.773 121.068 120.300 -0.009 0.000 2.165 319 Y HA -0.330 4.220 4.550 -0.000 0.000 0.286 319 Y C 2.723 178.578 175.900 -0.075 0.000 1.155 319 Y CA 1.412 59.489 58.100 -0.038 0.000 1.164 319 Y CB -0.260 38.175 38.460 -0.042 0.000 0.978 319 Y HN 0.234 nan 8.280 nan 0.000 0.513 320 E N 0.546 120.796 120.200 0.083 0.000 2.085 320 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 320 E C 1.637 178.228 176.600 -0.015 0.000 0.994 320 E CA 1.563 57.967 56.400 0.007 0.000 0.801 320 E CB -0.144 29.573 29.700 0.030 0.000 0.743 320 E HN 0.365 nan 8.360 nan 0.000 0.453 321 D N -0.432 119.966 120.400 -0.002 0.000 2.178 321 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 321 D C 1.954 178.253 176.300 -0.002 0.000 0.980 321 D CA 1.109 55.108 54.000 -0.001 0.000 0.842 321 D CB 0.058 40.856 40.800 -0.002 0.000 0.948 321 D HN 0.244 nan 8.370 nan 0.000 0.472 322 M N -0.554 119.051 119.600 0.008 0.000 2.077 322 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 322 M C 2.287 178.561 176.300 -0.044 0.000 1.070 322 M CA 1.011 56.315 55.300 0.007 0.000 1.125 322 M CB -0.320 32.315 32.600 0.058 0.000 1.339 322 M HN 0.080 nan 8.290 nan 0.000 0.409 323 L N -0.305 120.843 121.223 -0.125 0.000 2.127 323 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 323 L C 2.320 179.109 176.870 -0.134 0.000 1.089 323 L CA 1.056 55.728 54.840 -0.279 0.000 0.757 323 L CB -0.718 40.868 42.059 -0.788 0.000 0.899 323 L HN 0.286 nan 8.230 nan 0.000 0.434 324 E N 0.538 120.711 120.200 -0.044 0.000 2.153 324 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 324 E C 0.772 177.395 176.600 0.038 0.000 0.988 324 E CA 0.812 57.248 56.400 0.058 0.000 0.811 324 E CB 0.099 29.828 29.700 0.047 0.000 0.746 324 E HN 0.366 nan 8.360 nan 0.000 0.466 325 N N 0.847 119.554 118.700 0.011 0.000 2.839 325 N HA 0.056 4.796 4.740 -0.000 0.000 0.314 325 N C -0.737 174.775 175.510 0.005 0.000 1.449 325 N CA 0.674 53.729 53.050 0.008 0.000 1.050 325 N CB 0.439 38.926 38.487 -0.000 0.000 1.364 325 N HN 0.205 nan 8.380 nan 0.000 0.512 326 Q N -0.349 119.459 119.800 0.013 0.000 2.377 326 Q HA -0.204 4.136 4.340 -0.000 0.000 0.368 326 Q C 0.918 176.917 176.000 -0.001 0.000 1.284 326 Q CA 1.045 56.854 55.803 0.011 0.000 1.172 326 Q CB -2.772 25.976 28.738 0.016 0.000 1.331 326 Q HN 0.722 nan 8.270 nan 0.000 0.311 327 C N -1.312 117.982 119.300 -0.009 0.000 2.574 327 C HA 0.886 5.346 4.460 -0.000 0.000 0.335 327 C C 0.840 175.824 174.990 -0.009 0.000 1.493 327 C CA -0.169 58.844 59.018 -0.008 0.000 2.217 327 C CB 0.801 28.537 27.740 -0.007 0.000 2.056 327 C HN 1.326 nan 8.230 nan 0.000 0.607 328 D N 0.564 120.960 120.400 -0.008 0.000 2.225 328 D HA 0.441 5.081 4.640 -0.000 0.000 0.248 328 D C 0.208 176.498 176.300 -0.016 0.000 1.096 328 D CA -0.263 53.731 54.000 -0.009 0.000 0.863 328 D CB -0.005 40.792 40.800 -0.006 0.000 1.156 328 D HN 0.813 nan 8.370 nan 0.000 0.450 329 N N 0.709 119.397 118.700 -0.019 0.000 2.861 329 N HA -0.169 4.571 4.740 -0.000 0.000 0.247 329 N C 1.201 176.686 175.510 -0.041 0.000 1.117 329 N CA 0.867 53.899 53.050 -0.029 0.000 0.703 329 N CB -1.110 37.357 38.487 -0.033 0.000 1.052 329 N HN 0.796 nan 8.380 nan 0.000 0.555 330 K N 0.999 121.379 120.400 -0.033 0.000 2.032 330 K HA -0.315 4.005 4.320 -0.000 0.000 0.218 330 K C 2.082 178.652 176.600 -0.050 0.000 1.054 330 K CA 2.869 59.130 56.287 -0.042 0.000 0.941 330 K CB -0.066 32.424 32.500 -0.016 0.000 0.720 330 K HN 0.513 nan 8.250 nan 0.000 0.449 331 E N 1.022 121.202 120.200 -0.034 0.000 2.160 331 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 331 E C 1.700 178.265 176.600 -0.059 0.000 0.991 331 E CA 1.804 58.183 56.400 -0.035 0.000 0.810 331 E CB -0.727 28.959 29.700 -0.024 0.000 0.742 331 E HN 0.581 nan 8.360 nan 0.000 0.466 332 D N -0.316 120.043 120.400 -0.068 0.000 2.162 332 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 332 D C 1.938 178.150 176.300 -0.148 0.000 0.967 332 D CA 0.840 54.786 54.000 -0.090 0.000 0.840 332 D CB -0.006 40.750 40.800 -0.074 0.000 0.972 332 D HN 0.323 nan 8.370 nan 0.000 0.482 333 I N 1.350 121.824 120.570 -0.159 0.000 2.202 333 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 333 I C 2.590 178.541 176.117 -0.277 0.000 1.091 333 I CA 0.522 61.668 61.300 -0.256 0.000 1.368 333 I CB -1.186 36.717 38.000 -0.162 0.000 1.058 333 I HN 0.140 nan 8.210 nan 0.000 0.410 334 L N 1.629 122.751 121.223 -0.170 0.000 2.081 334 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 334 L C 2.063 178.861 176.870 -0.121 0.000 1.080 334 L CA 1.899 56.665 54.840 -0.123 0.000 0.754 334 L CB -0.886 41.137 42.059 -0.059 0.000 0.893 334 L HN 0.256 nan 8.230 nan 0.000 0.433 335 N N -0.223 118.398 118.700 -0.131 0.000 2.270 335 N HA -0.142 4.598 4.740 -0.000 0.000 0.181 335 N C 1.731 177.149 175.510 -0.154 0.000 1.016 335 N CA 1.165 54.147 53.050 -0.114 0.000 0.870 335 N CB -0.127 38.304 38.487 -0.093 0.000 0.979 335 N HN 0.486 nan 8.380 nan 0.000 0.431 336 K N 1.044 121.286 120.400 -0.264 0.000 2.097 336 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 336 K C 2.108 178.549 176.600 -0.264 0.000 1.049 336 K CA 1.159 57.232 56.287 -0.356 0.000 0.933 336 K CB -0.045 32.002 32.500 -0.755 0.000 0.717 336 K HN 0.100 nan 8.250 nan 0.000 0.442 337 A N 1.610 124.284 122.820 -0.243 0.000 1.832 337 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 337 A C 2.145 179.716 177.584 -0.020 0.000 1.200 337 A CA 1.230 53.259 52.037 -0.013 0.000 0.610 337 A CB -0.833 18.175 19.000 0.013 0.000 0.842 337 A HN 0.148 nan 8.150 nan 0.000 0.444 338 L N -0.544 120.652 121.223 -0.044 0.000 2.043 338 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 338 L C 3.129 179.975 176.870 -0.041 0.000 1.075 338 L CA 2.034 56.854 54.840 -0.033 0.000 0.752 338 L CB -1.243 40.796 42.059 -0.034 0.000 0.891 338 L HN 0.644 nan 8.230 nan 0.000 0.432 339 E N 0.776 120.944 120.200 -0.054 0.000 2.085 339 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 339 E C 2.063 178.630 176.600 -0.055 0.000 0.994 339 E CA 1.795 58.164 56.400 -0.051 0.000 0.801 339 E CB -0.890 28.776 29.700 -0.056 0.000 0.743 339 E HN 0.544 nan 8.360 nan 0.000 0.453 340 L N -0.396 120.796 121.223 -0.052 0.000 2.072 340 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 340 L C 2.901 179.668 176.870 -0.171 0.000 1.079 340 L CA 1.121 55.909 54.840 -0.087 0.000 0.752 340 L CB -0.407 41.631 42.059 -0.036 0.000 0.906 340 L HN 0.458 nan 8.230 nan 0.000 0.436 341 C N -0.057 119.165 119.300 -0.131 0.000 2.413 341 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 341 C C 2.786 177.714 174.990 -0.105 0.000 1.236 341 C CA 1.076 60.012 59.018 -0.137 0.000 1.735 341 C CB -0.599 27.144 27.740 0.005 0.000 2.031 341 C HN 0.499 nan 8.230 nan 0.000 0.474 342 E N 0.801 120.966 120.200 -0.059 0.000 2.150 342 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 342 E C 1.821 178.385 176.600 -0.061 0.000 0.985 342 E CA 1.068 57.449 56.400 -0.033 0.000 0.814 342 E CB -0.362 29.325 29.700 -0.023 0.000 0.752 342 E HN 0.623 nan 8.360 nan 0.000 0.466 343 I N -0.155 120.355 120.570 -0.100 0.000 2.315 343 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 343 I C 2.145 178.173 176.117 -0.148 0.000 1.117 343 I CA 0.661 61.897 61.300 -0.107 0.000 1.404 343 I CB -0.209 37.724 38.000 -0.112 0.000 1.071 343 I HN 0.132 nan 8.210 nan 0.000 0.419 344 L N 0.558 121.624 121.223 -0.262 0.000 2.027 344 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 344 L C 2.891 179.683 176.870 -0.131 0.000 1.074 344 L CA 1.450 56.059 54.840 -0.385 0.000 0.745 344 L CB -0.645 40.786 42.059 -1.047 0.000 0.898 344 L HN 0.219 nan 8.230 nan 0.000 0.433 345 A N -0.075 122.735 122.820 -0.018 0.000 1.877 345 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 345 A C 2.471 180.096 177.584 0.069 0.000 1.186 345 A CA 2.069 54.186 52.037 0.133 0.000 0.620 345 A CB -0.454 18.634 19.000 0.148 0.000 0.822 345 A HN 0.255 nan 8.150 nan 0.000 0.443 346 K N -0.707 119.705 120.400 0.020 0.000 2.228 346 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 346 K C 1.521 178.120 176.600 -0.002 0.000 1.051 346 K CA 1.553 57.846 56.287 0.010 0.000 0.960 346 K CB -0.278 32.221 32.500 -0.003 0.000 0.743 346 K HN 0.991 nan 8.250 nan 0.000 0.458 347 E N -2.208 117.980 120.200 -0.020 0.000 2.641 347 E HA 0.183 4.533 4.350 -0.000 0.000 0.201 347 E C 1.518 178.095 176.600 -0.039 0.000 0.921 347 E CA -0.348 56.036 56.400 -0.025 0.000 1.551 347 E CB 0.185 29.867 29.700 -0.030 0.000 1.640 347 E HN -0.039 nan 8.360 nan 0.000 0.906 348 K N 0.587 120.947 120.400 -0.067 0.000 2.128 348 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 348 K C 0.157 176.717 176.600 -0.066 0.000 1.050 348 K CA 1.039 57.272 56.287 -0.090 0.000 0.966 348 K CB 0.295 32.704 32.500 -0.151 0.000 0.759 348 K HN 0.003 nan 8.250 nan 0.000 0.454 349 D N 0.877 121.263 120.400 -0.024 0.000 2.861 349 D HA 0.040 4.680 4.640 -0.000 0.000 0.357 349 D C 0.784 177.189 176.300 0.174 0.000 1.250 349 D CA -0.015 54.040 54.000 0.091 0.000 0.802 349 D CB 0.405 41.335 40.800 0.216 0.000 1.141 349 D HN 0.090 nan 8.370 nan 0.000 0.489 350 T N -1.344 113.269 114.554 0.097 0.000 2.699 350 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 350 T C 2.108 176.874 174.700 0.110 0.000 1.036 350 T CA 0.727 62.886 62.100 0.099 0.000 1.147 350 T CB -0.361 68.538 68.868 0.052 0.000 0.862 350 T HN 0.414 nan 8.240 nan 0.000 0.446 351 I N 0.516 121.140 120.570 0.090 0.000 2.502 351 I HA -0.111 4.058 4.170 -0.000 0.000 0.258 351 I C 2.251 178.411 176.117 0.072 0.000 1.172 351 I CA 1.239 62.579 61.300 0.066 0.000 1.430 351 I CB -0.037 37.991 38.000 0.047 0.000 1.086 351 I HN 0.146 nan 8.210 nan 0.000 0.440 352 R N 0.128 120.706 120.500 0.130 0.000 2.552 352 R HA 0.039 4.379 4.340 -0.000 0.000 0.314 352 R C 1.774 178.188 176.300 0.190 0.000 1.041 352 R CA -0.151 56.003 56.100 0.091 0.000 1.076 352 R CB 0.166 30.456 30.300 -0.015 0.000 1.290 352 R HN 0.263 nan 8.270 nan 0.000 0.563 353 K N 1.727 122.253 120.400 0.209 0.000 2.052 353 K HA -0.265 4.055 4.320 -0.000 0.000 0.215 353 K C 0.926 177.632 176.600 0.176 0.000 1.053 353 K CA 2.035 58.450 56.287 0.213 0.000 0.934 353 K CB 0.110 32.687 32.500 0.129 0.000 0.717 353 K HN 0.251 nan 8.250 nan 0.000 0.450 354 E N -0.854 119.414 120.200 0.114 0.000 2.150 354 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 354 E C 1.933 178.594 176.600 0.102 0.000 0.985 354 E CA 1.082 57.536 56.400 0.090 0.000 0.814 354 E CB -0.214 29.514 29.700 0.047 0.000 0.752 354 E HN 0.448 nan 8.360 nan 0.000 0.466 355 Y N 0.022 120.288 120.300 -0.056 0.000 2.163 355 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 355 Y C 1.614 177.491 175.900 -0.039 0.000 1.136 355 Y CA 1.482 59.502 58.100 -0.133 0.000 1.147 355 Y CB -0.495 37.729 38.460 -0.393 0.000 0.987 355 Y HN 0.040 nan 8.280 nan 0.000 0.509 356 W N 0.679 121.971 121.300 -0.013 0.000 2.363 356 W HA -0.146 4.514 4.660 -0.000 0.000 0.296 356 W C 2.434 178.891 176.519 -0.104 0.000 1.212 356 W CA 0.818 58.096 57.345 -0.111 0.000 1.260 356 W CB -0.136 29.331 29.460 0.011 0.000 1.131 356 W HN -0.156 nan 8.180 nan 0.000 0.530 357 R N -0.360 120.249 120.500 0.181 0.000 2.096 357 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 357 R C 1.957 178.294 176.300 0.062 0.000 1.127 357 R CA 1.549 57.712 56.100 0.106 0.000 0.968 357 R CB -1.437 28.922 30.300 0.099 0.000 0.861 357 R HN 0.400 nan 8.270 nan 0.000 0.440 358 Y N 1.429 121.675 120.300 -0.090 0.000 2.242 358 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 358 Y C 2.050 177.854 175.900 -0.160 0.000 1.137 358 Y CA 1.067 59.091 58.100 -0.126 0.000 1.181 358 Y CB -0.159 38.205 38.460 -0.160 0.000 0.989 358 Y HN -0.163 nan 8.280 nan 0.000 0.527 359 I N 0.652 120.977 120.570 -0.408 0.000 2.202 359 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 359 I C 2.678 178.664 176.117 -0.218 0.000 1.091 359 I CA 1.529 62.573 61.300 -0.427 0.000 1.368 359 I CB -1.935 35.930 38.000 -0.224 0.000 1.058 359 I HN 0.433 nan 8.210 nan 0.000 0.410 360 G N 0.975 109.724 108.800 -0.085 0.000 2.459 360 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 360 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 360 G C 1.851 176.707 174.900 -0.073 0.000 1.183 360 G CA 0.466 45.541 45.100 -0.042 0.000 0.776 360 G HN 0.311 nan 8.290 nan 0.000 0.552 361 R N 0.370 120.815 120.500 -0.092 0.000 2.103 361 R HA -0.082 4.258 4.340 -0.000 0.000 0.242 361 R C 2.990 179.213 176.300 -0.128 0.000 1.142 361 R CA 1.525 57.574 56.100 -0.085 0.000 0.960 361 R CB -0.483 29.781 30.300 -0.059 0.000 0.858 361 R HN 0.340 nan 8.270 nan 0.000 0.439 362 S N 1.263 116.820 115.700 -0.238 0.000 2.368 362 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 362 S C 2.034 176.556 174.600 -0.130 0.000 1.030 362 S CA 1.039 59.094 58.200 -0.242 0.000 0.999 362 S CB -0.195 62.761 63.200 -0.406 0.000 0.844 362 S HN 0.212 nan 8.310 nan 0.000 0.459 363 L N 1.352 122.532 121.223 -0.072 0.000 2.017 363 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 363 L C 3.040 179.947 176.870 0.062 0.000 1.073 363 L CA 1.277 56.151 54.840 0.057 0.000 0.745 363 L CB -0.974 41.124 42.059 0.066 0.000 0.894 363 L HN 0.277 nan 8.230 nan 0.000 0.432 364 Q N -0.218 119.584 119.800 0.005 0.000 2.030 364 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 364 Q C 2.460 178.444 176.000 -0.027 0.000 0.986 364 Q CA 1.724 57.526 55.803 -0.000 0.000 0.843 364 Q CB -0.926 27.803 28.738 -0.015 0.000 0.904 364 Q HN 0.850 nan 8.270 nan 0.000 0.420 365 S N -0.265 115.400 115.700 -0.057 0.000 2.547 365 S HA -0.020 4.450 4.470 -0.000 0.000 0.235 365 S C 1.645 176.173 174.600 -0.121 0.000 0.980 365 S CA 1.307 59.464 58.200 -0.073 0.000 0.941 365 S CB -0.087 63.072 63.200 -0.068 0.000 0.763 365 S HN 0.456 nan 8.310 nan 0.000 0.532 366 K N 0.317 120.601 120.400 -0.193 0.000 2.370 366 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 366 K C -0.477 175.774 176.600 -0.582 0.000 1.070 366 K CA 0.169 56.217 56.287 -0.399 0.000 0.998 366 K CB 0.340 32.526 32.500 -0.523 0.000 0.911 366 K HN 0.530 nan 8.250 nan 0.000 0.533 367 H N -0.432 118.621 119.070 -0.028 0.000 2.380 367 H HA 0.368 4.924 4.556 -0.000 0.000 0.231 367 H C -1.274 174.039 175.328 -0.025 0.000 1.415 367 H CA -0.501 55.532 56.048 -0.024 0.000 1.433 367 H CB 1.286 31.034 29.762 -0.023 0.000 1.544 367 H HN -0.075 nan 8.280 nan 0.000 0.503 368 S N 0.000 115.724 115.700 0.041 0.000 2.498 368 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 368 S CA 0.000 58.213 58.200 0.021 0.000 1.107 368 S CB 0.000 63.204 63.200 0.006 0.000 0.593 368 S HN 0.000 nan 8.310 nan 0.000 0.517