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 1zn7_1_B DATA FIRST_RESID 3 DATA SEQUENCE DSELQLVEQR IRSFPDFPTP GVVFRDISPV LKDPASFRAA IGLLARHLKA DATA SEQUENCE THGGRIDYIA GLDSRGFLFG PSLAQELGLG CVLIRKRGKL PGPTLWASYS DATA SEQUENCE LEYGKAELEI QKDALEPGQR VVVVDDLLAT GGTMNAACEL LGRLQAEVLE DATA SEQUENCE CVSLVELTSL KGREKLAPVP FFSLLQYE 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.305 176.300 0.008 0.000 2.045 3 D CA 0.000 54.005 54.000 0.008 0.000 0.868 3 D CB 0.000 40.806 40.800 0.010 0.000 0.688 4 S N 0.798 116.502 115.700 0.006 0.000 2.571 4 S HA 0.065 4.522 4.470 -0.023 0.000 0.297 4 S C 1.328 175.933 174.600 0.008 0.000 1.234 4 S CA 0.683 58.886 58.200 0.005 0.000 1.120 4 S CB 0.346 63.547 63.200 0.000 0.000 0.923 4 S HN 0.535 nan 8.310 nan 0.000 0.504 5 E N 3.138 123.343 120.200 0.009 0.000 2.085 5 E HA -0.187 4.150 4.350 -0.023 0.000 0.194 5 E C 1.759 178.365 176.600 0.010 0.000 0.994 5 E CA 1.353 57.761 56.400 0.012 0.000 0.801 5 E CB -0.120 29.586 29.700 0.010 0.000 0.743 5 E HN 0.742 nan 8.360 nan 0.000 0.453 6 L N 1.210 122.435 121.223 0.003 0.000 2.046 6 L HA -0.232 4.094 4.340 -0.023 0.000 0.208 6 L C 2.588 179.455 176.870 -0.005 0.000 1.077 6 L CA 2.550 57.386 54.840 -0.007 0.000 0.747 6 L CB -0.937 41.110 42.059 -0.020 0.000 0.896 6 L HN 0.111 nan 8.230 nan 0.000 0.432 7 Q N -0.871 118.928 119.800 -0.002 0.000 2.135 7 Q HA -0.201 4.125 4.340 -0.023 0.000 0.204 7 Q C 2.123 178.134 176.000 0.019 0.000 0.981 7 Q CA 2.104 57.910 55.803 0.005 0.000 0.856 7 Q CB -1.281 27.459 28.738 0.003 0.000 0.902 7 Q HN 0.519 nan 8.270 nan 0.000 0.425 8 L N 0.167 121.404 121.223 0.024 0.000 2.079 8 L HA -0.149 4.177 4.340 -0.023 0.000 0.210 8 L C 2.558 179.458 176.870 0.051 0.000 1.081 8 L CA 1.690 56.552 54.840 0.037 0.000 0.752 8 L CB -0.579 41.503 42.059 0.039 0.000 0.896 8 L HN 0.404 nan 8.230 nan 0.000 0.433 9 V N -1.365 118.575 119.914 0.043 0.000 2.346 9 V HA -0.200 3.906 4.120 -0.023 0.000 0.244 9 V C 2.407 178.537 176.094 0.061 0.000 1.037 9 V CA 1.414 63.747 62.300 0.056 0.000 1.029 9 V CB -0.518 31.323 31.823 0.029 0.000 0.663 9 V HN 0.453 nan 8.190 nan 0.000 0.454 10 E N 0.285 120.509 120.200 0.040 0.000 2.097 10 E HA -0.301 4.035 4.350 -0.023 0.000 0.196 10 E C 2.233 178.874 176.600 0.068 0.000 1.000 10 E CA 1.655 58.085 56.400 0.050 0.000 0.804 10 E CB -0.094 29.612 29.700 0.011 0.000 0.740 10 E HN 0.662 nan 8.360 nan 0.000 0.454 11 Q N -0.697 119.133 119.800 0.050 0.000 2.437 11 Q HA -0.043 4.284 4.340 -0.023 0.000 0.210 11 Q C 1.234 177.266 176.000 0.054 0.000 0.972 11 Q CA 0.476 56.306 55.803 0.046 0.000 0.903 11 Q CB 0.282 29.041 28.738 0.034 0.000 0.967 11 Q HN 0.034 nan 8.270 nan 0.000 0.486 12 R N 0.161 120.704 120.500 0.071 0.000 2.468 12 R HA 0.190 4.516 4.340 -0.023 0.000 0.280 12 R C -0.232 176.126 176.300 0.097 0.000 0.963 12 R CA -0.058 56.092 56.100 0.084 0.000 1.083 12 R CB 0.714 31.075 30.300 0.102 0.000 1.200 12 R HN 0.115 nan 8.270 nan 0.000 0.541 13 I N 1.708 122.334 120.570 0.094 0.000 2.352 13 I HA 0.235 4.391 4.170 -0.023 0.000 0.290 13 I C 0.618 176.755 176.117 0.033 0.000 1.036 13 I CA -0.360 60.991 61.300 0.085 0.000 1.336 13 I CB 0.699 38.771 38.000 0.119 0.000 1.407 13 I HN -0.243 nan 8.210 nan 0.000 0.497 14 R N 3.939 124.458 120.500 0.031 0.000 2.294 14 R HA 0.463 4.789 4.340 -0.023 0.000 0.319 14 R C -0.702 175.535 176.300 -0.105 0.000 0.984 14 R CA -0.272 55.787 56.100 -0.069 0.000 0.861 14 R CB 1.205 31.489 30.300 -0.027 0.000 1.104 14 R HN 0.602 nan 8.270 nan 0.000 0.451 15 S N 4.411 119.969 115.700 -0.237 0.000 2.474 15 S HA 0.402 4.858 4.470 -0.023 0.000 0.321 15 S C -1.089 173.383 174.600 -0.213 0.000 1.080 15 S CA -0.482 57.629 58.200 -0.148 0.000 1.106 15 S CB 0.512 63.615 63.200 -0.161 0.000 0.984 15 S HN 0.367 nan 8.310 nan 0.000 0.464 16 F N 5.097 125.103 119.950 0.094 0.000 2.361 16 F HA 0.376 4.927 4.527 0.040 0.000 0.364 16 F C -1.984 173.895 175.800 0.132 0.000 1.120 16 F CA -2.275 55.778 58.000 0.088 0.000 1.102 16 F CB 1.130 40.156 39.000 0.044 0.000 1.183 16 F HN 0.304 nan 8.300 nan 0.000 0.476 17 P HA 0.046 nan 4.420 nan 0.000 0.271 17 P C -0.352 177.080 177.300 0.220 0.000 1.218 17 P CA 0.087 63.293 63.100 0.176 0.000 0.780 17 P CB 0.750 32.511 31.700 0.103 0.000 0.901 18 D N -1.105 119.406 120.400 0.185 0.000 2.945 18 D HA -0.229 4.398 4.640 -0.023 0.000 0.225 18 D C -0.596 175.831 176.300 0.212 0.000 1.158 18 D CA 1.099 55.193 54.000 0.157 0.000 0.805 18 D CB -1.807 39.065 40.800 0.120 0.000 1.098 18 D HN 0.399 nan 8.370 nan 0.000 0.426 19 F N 0.423 120.431 119.950 0.097 0.000 2.518 19 F HA 0.428 4.944 4.527 -0.018 0.000 0.323 19 F C -2.032 173.839 175.800 0.119 0.000 1.129 19 F CA -2.126 55.902 58.000 0.046 0.000 0.920 19 F CB 1.875 40.843 39.000 -0.053 0.000 1.160 19 F HN -0.348 nan 8.300 nan 0.000 0.440 20 P HA 0.071 nan 4.420 nan 0.000 0.240 20 P C -0.311 176.807 177.300 -0.304 0.000 1.190 20 P CA 0.598 63.149 63.100 -0.915 0.000 0.781 20 P CB 0.141 31.353 31.700 -0.813 0.000 0.931 21 T N -4.142 110.341 114.554 -0.118 0.000 2.916 21 T HA 0.575 4.911 4.350 -0.023 0.000 0.292 21 T C -3.224 171.490 174.700 0.022 0.000 1.055 21 T CA -2.935 59.148 62.100 -0.028 0.000 1.009 21 T CB 1.449 70.322 68.868 0.009 0.000 1.118 21 T HN -0.313 nan 8.240 nan 0.000 0.497 22 P HA 0.313 nan 4.420 nan 0.000 0.264 22 P C 1.178 178.505 177.300 0.045 0.000 1.193 22 P CA 1.333 64.459 63.100 0.044 0.000 0.763 22 P CB 0.236 31.957 31.700 0.035 0.000 0.810 23 G N 1.128 109.960 108.800 0.053 0.000 2.258 23 G HA2 -0.211 3.735 3.960 -0.023 0.000 0.233 23 G HA3 -0.211 3.735 3.960 -0.023 0.000 0.233 23 G C 0.056 174.988 174.900 0.053 0.000 1.006 23 G CA -0.091 45.037 45.100 0.047 0.000 0.620 23 G HN 0.531 nan 8.290 nan 0.000 0.511 24 V N 1.526 121.479 119.914 0.064 0.000 2.607 24 V HA 0.571 4.678 4.120 -0.023 0.000 0.289 24 V C 0.674 176.843 176.094 0.124 0.000 1.053 24 V CA -0.508 61.838 62.300 0.077 0.000 0.996 24 V CB 1.814 33.681 31.823 0.075 0.000 0.995 24 V HN 0.353 nan 8.190 nan 0.000 0.476 25 V N 5.035 125.014 119.914 0.108 0.000 2.357 25 V HA 0.336 4.442 4.120 -0.023 0.000 0.284 25 V C -0.371 175.820 176.094 0.160 0.000 1.018 25 V CA -0.470 61.908 62.300 0.130 0.000 0.841 25 V CB 1.151 32.998 31.823 0.041 0.000 0.991 25 V HN 0.691 nan 8.190 nan 0.000 0.437 26 F N 6.368 126.418 119.950 0.167 0.000 2.438 26 F HA 0.472 4.978 4.527 -0.034 0.000 0.356 26 F C 0.798 176.675 175.800 0.128 0.000 1.099 26 F CA -0.360 57.759 58.000 0.199 0.000 1.185 26 F CB 0.502 39.731 39.000 0.382 0.000 1.115 26 F HN 0.364 nan 8.300 nan 0.000 0.526 27 R N 4.452 124.715 120.500 -0.395 0.000 2.204 27 R HA 0.163 4.489 4.340 -0.023 0.000 0.341 27 R C -1.098 175.074 176.300 -0.213 0.000 1.035 27 R CA -0.608 55.324 56.100 -0.280 0.000 0.887 27 R CB 0.445 30.518 30.300 -0.378 0.000 1.114 27 R HN 0.566 nan 8.270 nan 0.000 0.473 28 D N 3.671 124.177 120.400 0.177 0.000 2.317 28 D HA 0.108 4.735 4.640 -0.023 0.000 0.234 28 D C 1.439 177.873 176.300 0.224 0.000 1.112 28 D CA -0.597 53.621 54.000 0.363 0.000 0.840 28 D CB 0.862 42.021 40.800 0.598 0.000 1.078 28 D HN 0.571 nan 8.370 nan 0.000 0.486 29 I N 0.610 121.309 120.570 0.216 0.000 3.428 29 I HA -0.029 4.128 4.170 -0.023 0.000 0.286 29 I C 1.276 177.535 176.117 0.238 0.000 1.287 29 I CA -0.125 61.318 61.300 0.238 0.000 1.396 29 I CB -0.123 38.080 38.000 0.337 0.000 1.062 29 I HN 0.073 nan 8.210 nan 0.000 0.471 30 S N 2.592 118.416 115.700 0.207 0.000 2.372 30 S HA -0.096 4.361 4.470 -0.023 0.000 0.227 30 S C -0.318 174.361 174.600 0.132 0.000 1.044 30 S CA 2.026 60.317 58.200 0.151 0.000 1.050 30 S CB -1.309 61.966 63.200 0.125 0.000 0.901 30 S HN 0.458 nan 8.310 nan 0.000 0.447 31 P HA 0.029 nan 4.420 nan 0.000 0.221 31 P C 1.456 178.836 177.300 0.134 0.000 1.150 31 P CA 0.532 63.700 63.100 0.114 0.000 0.800 31 P CB -0.176 31.585 31.700 0.101 0.000 0.787 32 V N 0.074 120.097 119.914 0.181 0.000 2.287 32 V HA -0.236 3.870 4.120 -0.023 0.000 0.248 32 V C 2.435 178.694 176.094 0.276 0.000 1.053 32 V CA 1.614 64.062 62.300 0.246 0.000 1.027 32 V CB -1.281 30.735 31.823 0.321 0.000 0.646 32 V HN 0.096 nan 8.190 nan 0.000 0.447 33 L N -0.135 121.214 121.223 0.209 0.000 2.093 33 L HA -0.144 4.182 4.340 -0.023 0.000 0.208 33 L C 2.401 179.259 176.870 -0.021 0.000 1.085 33 L CA 1.994 56.852 54.840 0.032 0.000 0.755 33 L CB -1.051 40.973 42.059 -0.059 0.000 0.904 33 L HN 0.428 nan 8.230 nan 0.000 0.435 34 K N -0.558 119.864 120.400 0.036 0.000 2.296 34 K HA -0.097 4.209 4.320 -0.023 0.000 0.200 34 K C 0.284 176.907 176.600 0.038 0.000 1.048 34 K CA 0.294 56.593 56.287 0.020 0.000 0.966 34 K CB 0.270 32.790 32.500 0.033 0.000 0.754 34 K HN 0.039 nan 8.250 nan 0.000 0.466 35 D N 0.864 121.310 120.400 0.076 0.000 2.412 35 D HA 0.105 4.731 4.640 -0.023 0.000 0.224 35 D C -1.802 174.569 176.300 0.119 0.000 1.093 35 D CA -2.637 51.414 54.000 0.085 0.000 0.850 35 D CB 1.711 42.566 40.800 0.092 0.000 1.046 35 D HN -0.031 nan 8.370 nan 0.000 0.507 36 P HA -0.141 nan 4.420 nan 0.000 0.219 36 P C 1.005 178.403 177.300 0.164 0.000 1.146 36 P CA 0.782 63.959 63.100 0.129 0.000 0.808 36 P CB 0.318 32.065 31.700 0.079 0.000 0.779 37 A N -0.208 122.682 122.820 0.118 0.000 1.929 37 A HA -0.097 4.209 4.320 -0.023 0.000 0.216 37 A C 2.638 180.289 177.584 0.112 0.000 1.176 37 A CA 1.790 53.887 52.037 0.100 0.000 0.628 37 A CB -1.445 17.597 19.000 0.071 0.000 0.816 37 A HN 0.229 nan 8.150 nan 0.000 0.444 38 S N -1.364 114.416 115.700 0.133 0.000 2.348 38 S HA -0.152 4.304 4.470 -0.023 0.000 0.221 38 S C 1.757 176.468 174.600 0.186 0.000 1.033 38 S CA 1.600 59.885 58.200 0.141 0.000 1.010 38 S CB -0.515 62.775 63.200 0.150 0.000 0.891 38 S HN 0.557 nan 8.310 nan 0.000 0.442 39 F N 2.562 122.576 119.950 0.106 0.000 2.095 39 F HA -0.084 4.426 4.527 -0.029 0.000 0.298 39 F C 2.450 178.325 175.800 0.125 0.000 1.104 39 F CA 2.173 60.258 58.000 0.141 0.000 1.232 39 F CB -0.577 38.488 39.000 0.109 0.000 0.987 39 F HN 0.142 nan 8.300 nan 0.000 0.475 40 R N 0.260 120.839 120.500 0.131 0.000 2.096 40 R HA -0.218 4.108 4.340 -0.023 0.000 0.240 40 R C 2.364 178.644 176.300 -0.034 0.000 1.139 40 R CA 1.643 57.762 56.100 0.032 0.000 0.952 40 R CB -0.748 29.610 30.300 0.096 0.000 0.854 40 R HN 0.397 nan 8.270 nan 0.000 0.436 41 A N 0.465 123.286 122.820 0.002 0.000 1.877 41 A HA -0.126 4.181 4.320 -0.023 0.000 0.216 41 A C 2.383 179.945 177.584 -0.036 0.000 1.186 41 A CA 1.788 53.823 52.037 -0.004 0.000 0.620 41 A CB -0.969 18.044 19.000 0.022 0.000 0.822 41 A HN 0.561 nan 8.150 nan 0.000 0.443 42 A N 0.006 122.790 122.820 -0.062 0.000 1.883 42 A HA -0.100 4.206 4.320 -0.023 0.000 0.217 42 A C 2.017 179.522 177.584 -0.132 0.000 1.186 42 A CA 1.762 53.744 52.037 -0.092 0.000 0.624 42 A CB -0.538 18.416 19.000 -0.078 0.000 0.822 42 A HN 0.417 nan 8.150 nan 0.000 0.444 43 I N -0.012 120.418 120.570 -0.233 0.000 2.226 43 I HA -0.175 3.981 4.170 -0.023 0.000 0.245 43 I C 2.685 178.753 176.117 -0.082 0.000 1.100 43 I CA 1.498 62.689 61.300 -0.182 0.000 1.374 43 I CB -2.053 35.779 38.000 -0.281 0.000 1.057 43 I HN 0.355 nan 8.210 nan 0.000 0.413 44 G N 1.074 109.834 108.800 -0.067 0.000 2.421 44 G HA2 -0.176 3.771 3.960 -0.023 0.000 0.216 44 G HA3 -0.176 3.771 3.960 -0.023 0.000 0.216 44 G C 1.856 176.746 174.900 -0.016 0.000 1.171 44 G CA 0.408 45.490 45.100 -0.031 0.000 0.775 44 G HN 0.309 nan 8.290 nan 0.000 0.543 45 L N -0.101 121.118 121.223 -0.006 0.000 2.017 45 L HA -0.044 4.283 4.340 -0.023 0.000 0.208 45 L C 2.945 179.842 176.870 0.044 0.000 1.073 45 L CA 0.668 55.526 54.840 0.029 0.000 0.745 45 L CB -0.481 41.607 42.059 0.048 0.000 0.894 45 L HN 0.175 nan 8.230 nan 0.000 0.432 46 L N -0.409 120.837 121.223 0.038 0.000 2.012 46 L HA -0.235 4.091 4.340 -0.023 0.000 0.210 46 L C 2.885 179.749 176.870 -0.010 0.000 1.073 46 L CA 1.368 56.233 54.840 0.041 0.000 0.748 46 L CB -0.740 41.334 42.059 0.026 0.000 0.891 46 L HN 0.268 nan 8.230 nan 0.000 0.431 47 A N -0.344 122.465 122.820 -0.018 0.000 1.898 47 A HA -0.198 4.109 4.320 -0.023 0.000 0.216 47 A C 2.401 179.950 177.584 -0.059 0.000 1.181 47 A CA 1.398 53.416 52.037 -0.032 0.000 0.620 47 A CB -0.486 18.500 19.000 -0.023 0.000 0.819 47 A HN 0.279 nan 8.150 nan 0.000 0.442 48 R N -1.605 118.865 120.500 -0.051 0.000 2.080 48 R HA -0.200 4.127 4.340 -0.023 0.000 0.236 48 R C 2.271 178.496 176.300 -0.125 0.000 1.137 48 R CA 1.877 57.937 56.100 -0.067 0.000 0.943 48 R CB -0.574 29.705 30.300 -0.036 0.000 0.846 48 R HN 0.817 nan 8.270 nan 0.000 0.431 49 H N 0.713 119.638 119.070 -0.243 0.000 2.319 49 H HA -0.123 4.420 4.556 -0.021 0.000 0.297 49 H C 1.918 177.031 175.328 -0.358 0.000 1.097 49 H CA 2.002 57.788 56.048 -0.437 0.000 1.285 49 H CB -0.298 28.878 29.762 -0.978 0.000 1.368 49 H HN 0.097 nan 8.280 nan 0.000 0.495 50 L N -0.441 120.535 121.223 -0.412 0.000 2.056 50 L HA -0.111 4.216 4.340 -0.023 0.000 0.207 50 L C 2.587 179.341 176.870 -0.194 0.000 1.078 50 L CA 1.583 56.262 54.840 -0.269 0.000 0.749 50 L CB -0.350 41.677 42.059 -0.054 0.000 0.901 50 L HN 0.211 nan 8.230 nan 0.000 0.433 51 K N 0.579 120.883 120.400 -0.160 0.000 2.097 51 K HA -0.079 4.227 4.320 -0.023 0.000 0.205 51 K C 2.016 178.515 176.600 -0.167 0.000 1.050 51 K CA 1.404 57.618 56.287 -0.121 0.000 0.938 51 K CB -0.272 32.176 32.500 -0.087 0.000 0.718 51 K HN 0.206 nan 8.250 nan 0.000 0.442 52 A N -0.472 122.216 122.820 -0.220 0.000 1.972 52 A HA -0.119 4.187 4.320 -0.023 0.000 0.219 52 A C 2.111 179.515 177.584 -0.299 0.000 1.169 52 A CA 2.151 54.056 52.037 -0.221 0.000 0.635 52 A CB -0.819 18.062 19.000 -0.198 0.000 0.810 52 A HN 0.424 nan 8.150 nan 0.000 0.446 53 T N -1.432 112.826 114.554 -0.494 0.000 2.939 53 T HA 0.017 4.354 4.350 -0.023 0.000 0.254 53 T C 1.450 175.765 174.700 -0.641 0.000 1.041 53 T CA 1.252 62.951 62.100 -0.668 0.000 1.142 53 T CB -0.206 68.025 68.868 -1.062 0.000 0.874 53 T HN 0.662 nan 8.240 nan 0.000 0.452 54 H N -0.358 118.599 119.070 -0.188 0.000 2.986 54 H HA 0.381 4.923 4.556 -0.023 0.000 0.267 54 H C 1.835 177.103 175.328 -0.100 0.000 1.072 54 H CA 0.321 56.295 56.048 -0.124 0.000 1.202 54 H CB 0.140 29.832 29.762 -0.117 0.000 1.535 54 H HN 0.449 nan 8.280 nan 0.000 0.522 55 G N 1.261 110.041 108.800 -0.034 0.000 2.672 55 G HA2 -0.412 3.534 3.960 -0.023 0.000 0.324 55 G HA3 -0.412 3.534 3.960 -0.023 0.000 0.324 55 G C 1.405 176.293 174.900 -0.020 0.000 1.286 55 G CA 0.585 45.663 45.100 -0.037 0.000 1.004 55 G HN 0.526 nan 8.290 nan 0.000 0.548 56 G N -0.196 108.590 108.800 -0.024 0.000 3.026 56 G HA2 0.249 4.195 3.960 -0.023 0.000 0.208 56 G HA3 0.249 4.195 3.960 -0.023 0.000 0.208 56 G C 1.520 176.401 174.900 -0.031 0.000 1.169 56 G CA 0.994 46.075 45.100 -0.031 0.000 0.788 56 G HN 0.592 nan 8.290 nan 0.000 0.533 57 R N -0.161 120.332 120.500 -0.011 0.000 2.189 57 R HA 0.094 4.421 4.340 -0.023 0.000 0.218 57 R C 0.559 176.825 176.300 -0.056 0.000 1.074 57 R CA 0.146 56.233 56.100 -0.020 0.000 0.991 57 R CB -0.097 30.207 30.300 0.007 0.000 0.883 57 R HN 0.367 nan 8.270 nan 0.000 0.457 58 I N 2.198 122.726 120.570 -0.070 0.000 2.533 58 I HA -0.083 4.073 4.170 -0.023 0.000 0.284 58 I C 0.835 176.874 176.117 -0.130 0.000 1.109 58 I CA 0.234 61.470 61.300 -0.106 0.000 1.412 58 I CB 0.678 38.618 38.000 -0.100 0.000 1.396 58 I HN -0.039 nan 8.210 nan 0.000 0.543 59 D N 4.907 125.222 120.400 -0.141 0.000 2.338 59 D HA 0.058 4.685 4.640 -0.023 0.000 0.224 59 D C -0.330 175.585 176.300 -0.643 0.000 0.967 59 D CA 1.306 55.115 54.000 -0.318 0.000 0.896 59 D CB 0.375 41.071 40.800 -0.173 0.000 1.028 59 D HN 0.380 nan 8.370 nan 0.000 0.493 60 Y N -0.312 119.977 120.300 -0.018 0.000 2.571 60 Y HA 0.335 4.871 4.550 -0.023 0.000 0.341 60 Y C -0.208 175.689 175.900 -0.004 0.000 1.076 60 Y CA -1.144 56.952 58.100 -0.006 0.000 1.029 60 Y CB 1.876 40.336 38.460 0.000 0.000 1.308 60 Y HN -0.297 nan 8.280 nan 0.000 0.461 61 I N 2.164 122.840 120.570 0.176 0.000 2.440 61 I HA 0.523 4.679 4.170 -0.023 0.000 0.294 61 I C 0.072 176.276 176.117 0.146 0.000 0.995 61 I CA -0.695 60.683 61.300 0.130 0.000 1.306 61 I CB 1.069 39.135 38.000 0.111 0.000 1.407 61 I HN 0.724 nan 8.210 nan 0.000 0.501 62 A N 5.059 127.953 122.820 0.123 0.000 2.258 62 A HA 0.718 5.024 4.320 -0.023 0.000 0.316 62 A C 0.277 177.954 177.584 0.156 0.000 1.279 62 A CA -0.461 51.647 52.037 0.119 0.000 0.876 62 A CB 0.716 19.772 19.000 0.094 0.000 1.170 62 A HN 0.851 nan 8.150 nan 0.000 0.520 63 G N 1.678 110.600 108.800 0.202 0.000 2.348 63 G HA2 0.540 4.486 3.960 -0.023 0.000 0.312 63 G HA3 0.540 4.486 3.960 -0.023 0.000 0.312 63 G C -0.416 174.708 174.900 0.373 0.000 1.126 63 G CA -0.582 44.702 45.100 0.306 0.000 0.865 63 G HN 0.689 nan 8.290 nan 0.000 0.474 64 L N 2.332 123.700 121.223 0.243 0.000 2.264 64 L HA 0.203 4.530 4.340 -0.023 0.000 0.289 64 L C 0.068 176.804 176.870 -0.222 0.000 1.044 64 L CA -1.003 53.886 54.840 0.081 0.000 0.807 64 L CB 1.343 43.423 42.059 0.034 0.000 1.192 64 L HN 0.435 nan 8.230 nan 0.000 0.425 65 D N 1.638 121.731 120.400 -0.511 0.000 2.531 65 D HA -0.077 4.550 4.640 -0.023 0.000 0.239 65 D C 0.704 176.739 176.300 -0.441 0.000 1.144 65 D CA 0.520 53.901 54.000 -1.031 0.000 0.869 65 D CB 1.301 41.799 40.800 -0.504 0.000 1.160 65 D HN 0.550 nan 8.370 nan 0.000 0.484 66 S N 3.642 119.119 115.700 -0.372 0.000 2.566 66 S HA 0.074 4.531 4.470 -0.023 0.000 0.234 66 S C 1.733 176.171 174.600 -0.270 0.000 1.075 66 S CA 0.052 57.951 58.200 -0.502 0.000 0.926 66 S CB 0.157 63.238 63.200 -0.198 0.000 0.811 66 S HN 0.493 nan 8.310 nan 0.000 0.518 67 R N 0.456 120.922 120.500 -0.056 0.000 2.152 67 R HA -0.003 4.324 4.340 -0.023 0.000 0.232 67 R C 2.332 178.760 176.300 0.214 0.000 1.117 67 R CA 1.117 57.276 56.100 0.098 0.000 0.981 67 R CB -0.662 29.736 30.300 0.164 0.000 0.870 67 R HN 0.524 nan 8.270 nan 0.000 0.451 68 G N 0.253 109.157 108.800 0.173 0.000 2.470 68 G HA2 -0.214 3.732 3.960 -0.023 0.000 0.220 68 G HA3 -0.214 3.732 3.960 -0.023 0.000 0.220 68 G C 0.990 176.133 174.900 0.406 0.000 1.121 68 G CA 0.246 45.529 45.100 0.306 0.000 0.766 68 G HN 0.170 nan 8.290 nan 0.000 0.553 69 F N 0.790 120.815 119.950 0.126 0.000 2.365 69 F HA 0.125 4.638 4.527 -0.023 0.000 0.300 69 F C 2.480 178.290 175.800 0.016 0.000 1.090 69 F CA -0.145 57.899 58.000 0.073 0.000 1.408 69 F CB -0.642 38.385 39.000 0.044 0.000 1.060 69 F HN 0.099 nan 8.300 nan 0.000 0.534 70 L N -2.074 119.219 121.223 0.116 0.000 2.275 70 L HA -0.184 4.143 4.340 -0.023 0.000 0.215 70 L C 1.908 178.584 176.870 -0.322 0.000 1.119 70 L CA 1.170 55.874 54.840 -0.226 0.000 0.790 70 L CB -0.507 41.255 42.059 -0.494 0.000 0.919 70 L HN 0.028 nan 8.230 nan 0.000 0.443 71 F N -1.765 118.358 119.950 0.288 0.000 2.592 71 F HA 0.222 4.732 4.527 -0.028 0.000 0.280 71 F C 2.439 178.351 175.800 0.187 0.000 1.083 71 F CA 0.407 58.560 58.000 0.255 0.000 1.365 71 F CB -0.913 38.195 39.000 0.180 0.000 1.100 71 F HN -0.108 nan 8.300 nan 0.000 0.633 72 G N 1.964 110.966 108.800 0.337 0.000 2.514 72 G HA2 -0.230 3.717 3.960 -0.023 0.000 0.217 72 G HA3 -0.230 3.717 3.960 -0.023 0.000 0.217 72 G C -0.797 174.203 174.900 0.167 0.000 1.198 72 G CA 1.161 46.401 45.100 0.233 0.000 0.780 72 G HN 0.205 nan 8.290 nan 0.000 0.565 73 P HA 0.000 nan 4.420 nan 0.000 0.217 73 P C 2.217 179.588 177.300 0.118 0.000 1.150 73 P CA 1.608 64.765 63.100 0.095 0.000 0.832 73 P CB -0.046 31.685 31.700 0.052 0.000 0.787 74 S N -0.617 115.188 115.700 0.174 0.000 2.371 74 S HA -0.091 4.365 4.470 -0.023 0.000 0.224 74 S C 1.747 176.418 174.600 0.119 0.000 1.029 74 S CA 0.710 59.022 58.200 0.187 0.000 0.978 74 S CB -1.107 62.299 63.200 0.344 0.000 0.833 74 S HN 0.049 nan 8.310 nan 0.000 0.466 75 L N 2.199 123.496 121.223 0.124 0.000 2.017 75 L HA -0.019 4.308 4.340 -0.023 0.000 0.208 75 L C 2.358 179.266 176.870 0.063 0.000 1.073 75 L CA 1.973 56.863 54.840 0.082 0.000 0.745 75 L CB -1.163 40.959 42.059 0.104 0.000 0.894 75 L HN 0.240 nan 8.230 nan 0.000 0.432 76 A N -1.220 121.646 122.820 0.077 0.000 1.883 76 A HA -0.247 4.059 4.320 -0.023 0.000 0.217 76 A C 2.178 179.785 177.584 0.040 0.000 1.186 76 A CA 1.723 53.795 52.037 0.058 0.000 0.624 76 A CB -0.678 18.369 19.000 0.079 0.000 0.822 76 A HN 0.608 nan 8.150 nan 0.000 0.444 77 Q N -0.782 119.049 119.800 0.051 0.000 2.112 77 Q HA -0.247 4.080 4.340 -0.023 0.000 0.206 77 Q C 2.010 178.028 176.000 0.029 0.000 0.987 77 Q CA 2.039 57.867 55.803 0.041 0.000 0.858 77 Q CB -0.362 28.409 28.738 0.055 0.000 0.905 77 Q HN 0.792 nan 8.270 nan 0.000 0.420 78 E N 0.550 120.769 120.200 0.031 0.000 2.150 78 E HA -0.084 4.253 4.350 -0.023 0.000 0.193 78 E C 1.685 178.286 176.600 0.002 0.000 0.985 78 E CA 0.744 57.154 56.400 0.016 0.000 0.814 78 E CB -0.135 29.572 29.700 0.011 0.000 0.752 78 E HN 0.309 nan 8.360 nan 0.000 0.466 79 L N -1.046 120.176 121.223 -0.001 0.000 2.591 79 L HA 0.251 4.577 4.340 -0.023 0.000 0.228 79 L C 1.292 178.147 176.870 -0.026 0.000 1.133 79 L CA 0.302 55.132 54.840 -0.017 0.000 0.880 79 L CB -0.106 41.942 42.059 -0.019 0.000 1.033 79 L HN 0.373 nan 8.230 nan 0.000 0.450 80 G N 0.901 109.692 108.800 -0.015 0.000 2.198 80 G HA2 -0.271 3.675 3.960 -0.023 0.000 0.260 80 G HA3 -0.271 3.675 3.960 -0.023 0.000 0.260 80 G C 0.027 174.904 174.900 -0.038 0.000 1.025 80 G CA 0.194 45.282 45.100 -0.020 0.000 0.769 80 G HN 0.265 nan 8.290 nan 0.000 0.507 81 L N -0.552 120.649 121.223 -0.037 0.000 2.313 81 L HA 0.793 5.120 4.340 -0.023 0.000 0.268 81 L C 1.243 178.116 176.870 0.005 0.000 1.010 81 L CA -0.813 53.986 54.840 -0.068 0.000 0.814 81 L CB 1.581 43.584 42.059 -0.094 0.000 1.304 81 L HN 0.179 nan 8.230 nan 0.000 0.441 82 G N -0.571 108.255 108.800 0.043 0.000 2.572 82 G HA2 0.346 4.292 3.960 -0.023 0.000 0.261 82 G HA3 0.346 4.292 3.960 -0.023 0.000 0.261 82 G C -1.073 173.986 174.900 0.266 0.000 1.197 82 G CA -0.207 45.017 45.100 0.207 0.000 0.870 82 G HN 0.613 nan 8.290 nan 0.000 0.548 83 C N 1.686 121.093 119.300 0.179 0.000 2.345 83 C HA 0.712 5.158 4.460 -0.023 0.000 0.323 83 C C 0.301 175.323 174.990 0.054 0.000 1.276 83 C CA -0.528 58.565 59.018 0.126 0.000 1.543 83 C CB -0.105 27.680 27.740 0.075 0.000 2.211 83 C HN 0.813 nan 8.230 nan 0.000 0.493 84 V N 5.345 125.279 119.914 0.033 0.000 2.966 84 V HA 0.723 4.829 4.120 -0.023 0.000 0.317 84 V C -0.623 175.479 176.094 0.013 0.000 1.070 84 V CA -0.712 61.565 62.300 -0.038 0.000 1.008 84 V CB 1.598 33.347 31.823 -0.123 0.000 1.070 84 V HN 0.805 nan 8.190 nan 0.000 0.457 85 L N 3.020 124.248 121.223 0.009 0.000 2.329 85 L HA 0.615 4.941 4.340 -0.023 0.000 0.279 85 L C -0.634 176.323 176.870 0.145 0.000 1.014 85 L CA -0.474 54.419 54.840 0.088 0.000 0.814 85 L CB 1.839 43.895 42.059 -0.005 0.000 1.257 85 L HN 0.550 nan 8.230 nan 0.000 0.424 86 I N 3.612 124.320 120.570 0.229 0.000 2.355 86 I HA 0.425 4.581 4.170 -0.023 0.000 0.288 86 I C -0.124 176.116 176.117 0.206 0.000 0.999 86 I CA -0.488 60.915 61.300 0.172 0.000 1.163 86 I CB 1.267 39.334 38.000 0.111 0.000 1.316 86 I HN 0.560 nan 8.210 nan 0.000 0.454 87 R N 4.916 125.524 120.500 0.179 0.000 2.787 87 R HA 0.505 4.831 4.340 -0.023 0.000 0.271 87 R C -0.531 175.837 176.300 0.113 0.000 0.993 87 R CA -1.191 55.010 56.100 0.169 0.000 0.993 87 R CB 2.038 32.455 30.300 0.195 0.000 1.155 87 R HN 0.473 nan 8.270 nan 0.000 0.486 88 K N 1.956 122.405 120.400 0.081 0.000 2.489 88 K HA -0.018 4.288 4.320 -0.023 0.000 0.278 88 K C 0.468 177.113 176.600 0.076 0.000 1.000 88 K CA 0.261 56.600 56.287 0.087 0.000 1.012 88 K CB 0.560 33.095 32.500 0.057 0.000 0.903 88 K HN 0.326 nan 8.250 nan 0.000 0.485 89 R N 0.962 121.504 120.500 0.070 0.000 2.585 89 R HA -0.055 4.271 4.340 -0.023 0.000 0.275 89 R C 0.739 177.024 176.300 -0.025 0.000 1.018 89 R CA 1.465 57.577 56.100 0.019 0.000 1.072 89 R CB -0.009 30.273 30.300 -0.029 0.000 0.953 89 R HN 0.938 nan 8.270 nan 0.000 0.419 90 G N 3.264 112.038 108.800 -0.043 0.000 2.184 90 G HA2 -0.178 3.769 3.960 -0.023 0.000 0.206 90 G HA3 -0.178 3.769 3.960 -0.023 0.000 0.206 90 G C 0.562 175.454 174.900 -0.013 0.000 0.995 90 G CA 0.027 45.095 45.100 -0.054 0.000 0.651 90 G HN 0.565 nan 8.290 nan 0.000 0.511 91 K N -0.310 120.102 120.400 0.020 0.000 2.335 91 K HA 0.406 4.713 4.320 -0.023 0.000 0.195 91 K C 1.148 177.776 176.600 0.046 0.000 1.058 91 K CA 0.146 56.458 56.287 0.041 0.000 0.988 91 K CB 0.407 32.952 32.500 0.074 0.000 0.880 91 K HN 0.450 nan 8.250 nan 0.000 0.513 92 L N 4.143 125.396 121.223 0.050 0.000 2.312 92 L HA 0.261 4.587 4.340 -0.023 0.000 0.281 92 L C -1.963 174.929 176.870 0.036 0.000 1.070 92 L CA -1.849 53.021 54.840 0.050 0.000 0.805 92 L CB 1.110 43.210 42.059 0.068 0.000 1.174 92 L HN -0.028 nan 8.230 nan 0.000 0.434 93 P HA 0.395 nan 4.420 nan 0.000 0.278 93 P C 0.043 177.362 177.300 0.031 0.000 1.258 93 P CA 0.119 63.233 63.100 0.024 0.000 0.811 93 P CB 1.336 33.046 31.700 0.016 0.000 1.063 94 G N 1.129 109.947 108.800 0.031 0.000 2.725 94 G HA2 -0.110 3.836 3.960 -0.023 0.000 0.220 94 G HA3 -0.110 3.836 3.960 -0.023 0.000 0.220 94 G C -2.848 172.087 174.900 0.058 0.000 1.357 94 G CA -0.831 44.291 45.100 0.037 0.000 0.866 94 G HN 0.580 nan 8.290 nan 0.000 0.548 95 P HA 0.459 nan 4.420 nan 0.000 0.271 95 P C 0.303 177.664 177.300 0.102 0.000 1.216 95 P CA 0.773 63.922 63.100 0.083 0.000 0.771 95 P CB 1.075 32.809 31.700 0.056 0.000 0.864 96 T N 0.088 114.744 114.554 0.169 0.000 2.865 96 T HA 0.727 5.064 4.350 -0.023 0.000 0.294 96 T C -0.849 173.975 174.700 0.207 0.000 1.119 96 T CA -0.925 61.296 62.100 0.202 0.000 1.007 96 T CB 0.840 69.866 68.868 0.263 0.000 1.225 96 T HN 0.116 nan 8.240 nan 0.000 0.515 97 L N 1.108 122.418 121.223 0.144 0.000 2.342 97 L HA 0.861 5.187 4.340 -0.023 0.000 0.271 97 L C -1.117 175.860 176.870 0.179 0.000 1.008 97 L CA -1.031 53.798 54.840 -0.018 0.000 0.818 97 L CB 1.854 43.864 42.059 -0.081 0.000 1.296 97 L HN 0.962 nan 8.230 nan 0.000 0.427 98 W N 1.758 123.077 121.300 0.032 0.000 3.033 98 W HA 0.886 5.532 4.660 -0.023 0.000 0.336 98 W C -1.330 175.219 176.519 0.050 0.000 1.173 98 W CA -1.095 56.277 57.345 0.044 0.000 1.185 98 W CB 1.531 31.019 29.460 0.046 0.000 1.425 98 W HN 0.564 nan 8.180 nan 0.000 0.536 99 A N 1.905 124.892 122.820 0.278 0.000 2.427 99 A HA 0.732 5.038 4.320 -0.023 0.000 0.298 99 A C -0.824 176.931 177.584 0.285 0.000 1.036 99 A CA -0.765 51.385 52.037 0.188 0.000 0.701 99 A CB 1.289 20.351 19.000 0.103 0.000 1.250 99 A HN 0.595 nan 8.150 nan 0.000 0.412 100 S N 0.822 116.668 115.700 0.243 0.000 2.603 100 S HA 0.702 5.159 4.470 -0.023 0.000 0.268 100 S C -0.592 174.191 174.600 0.304 0.000 1.317 100 S CA 0.121 58.455 58.200 0.223 0.000 1.012 100 S CB 0.373 63.651 63.200 0.131 0.000 0.926 100 S HN 1.182 nan 8.310 nan 0.000 0.539 101 Y N -1.633 118.693 120.300 0.043 0.000 2.677 101 Y HA 0.668 5.204 4.550 -0.024 0.000 0.334 101 Y C -0.648 175.261 175.900 0.015 0.000 1.196 101 Y CA -1.309 56.805 58.100 0.023 0.000 1.059 101 Y CB 0.638 39.108 38.460 0.018 0.000 1.315 101 Y HN 0.463 nan 8.280 nan 0.000 0.455 102 S N 3.107 118.808 115.700 0.001 0.000 2.513 102 S HA 0.660 5.116 4.470 -0.023 0.000 0.276 102 S C -1.224 173.319 174.600 -0.096 0.000 1.254 102 S CA -0.556 57.595 58.200 -0.082 0.000 1.053 102 S CB 0.303 63.492 63.200 -0.017 0.000 0.958 102 S HN 0.814 nan 8.310 nan 0.000 0.491 103 L N 5.114 126.230 121.223 -0.177 0.000 2.482 103 L HA 0.419 4.746 4.340 -0.023 0.000 0.269 103 L C 0.260 177.072 176.870 -0.098 0.000 0.967 103 L CA -0.022 54.743 54.840 -0.126 0.000 0.851 103 L CB 0.499 42.401 42.059 -0.261 0.000 1.242 103 L HN 1.114 nan 8.230 nan 0.000 0.404 104 E N 3.231 123.372 120.200 -0.098 0.000 3.213 104 E HA -0.378 3.958 4.350 -0.023 0.000 0.374 104 E C -0.263 176.180 176.600 -0.262 0.000 1.500 104 E CA 2.360 58.661 56.400 -0.166 0.000 1.497 104 E CB -0.769 28.911 29.700 -0.032 0.000 1.692 104 E HN 0.747 nan 8.360 nan 0.000 0.494 105 Y N 0.635 120.909 120.300 -0.044 0.000 2.466 105 Y HA 0.335 4.871 4.550 -0.023 0.000 0.272 105 Y C 1.086 176.958 175.900 -0.047 0.000 1.169 105 Y CA 0.506 58.582 58.100 -0.040 0.000 1.285 105 Y CB 1.327 39.765 38.460 -0.037 0.000 1.078 105 Y HN 0.345 nan 8.280 nan 0.000 0.523 106 G N -0.537 108.288 108.800 0.042 0.000 3.135 106 G HA2 0.615 4.562 3.960 -0.023 0.000 0.278 106 G HA3 0.615 4.562 3.960 -0.023 0.000 0.278 106 G C -1.437 173.415 174.900 -0.079 0.000 1.302 106 G CA -0.580 44.517 45.100 -0.005 0.000 0.880 106 G HN -0.050 nan 8.290 nan 0.000 0.574 107 K N -1.196 119.144 120.400 -0.100 0.000 2.270 107 K HA 0.922 5.228 4.320 -0.023 0.000 0.255 107 K C -0.280 176.181 176.600 -0.230 0.000 0.936 107 K CA -0.197 55.991 56.287 -0.165 0.000 0.809 107 K CB 1.550 33.998 32.500 -0.086 0.000 1.131 107 K HN 1.786 nan 8.250 nan 0.000 0.427 108 A N 1.325 123.870 122.820 -0.458 0.000 2.346 108 A HA 0.876 5.182 4.320 -0.023 0.000 0.313 108 A C -0.841 176.570 177.584 -0.287 0.000 1.140 108 A CA -0.585 51.186 52.037 -0.443 0.000 0.826 108 A CB 1.057 19.664 19.000 -0.655 0.000 1.332 108 A HN 0.756 nan 8.150 nan 0.000 0.457 109 E N 0.048 120.262 120.200 0.024 0.000 2.292 109 E HA 0.554 4.891 4.350 -0.023 0.000 0.272 109 E C -1.382 175.410 176.600 0.319 0.000 0.881 109 E CA -0.424 56.119 56.400 0.238 0.000 0.754 109 E CB 2.240 32.038 29.700 0.162 0.000 1.201 109 E HN 0.537 nan 8.360 nan 0.000 0.425 110 L N 1.569 123.004 121.223 0.353 0.000 2.358 110 L HA 0.616 4.943 4.340 -0.023 0.000 0.268 110 L C -0.098 176.905 176.870 0.221 0.000 1.032 110 L CA -0.574 54.398 54.840 0.220 0.000 0.805 110 L CB 1.603 43.721 42.059 0.099 0.000 1.253 110 L HN 0.606 nan 8.230 nan 0.000 0.452 111 E N 0.823 121.131 120.200 0.181 0.000 2.412 111 E HA 0.628 4.965 4.350 -0.023 0.000 0.279 111 E C -1.829 174.861 176.600 0.149 0.000 0.984 111 E CA -0.625 55.900 56.400 0.208 0.000 0.788 111 E CB 3.276 33.102 29.700 0.209 0.000 1.277 111 E HN 0.495 nan 8.360 nan 0.000 0.455 112 I N 1.613 122.266 120.570 0.140 0.000 2.827 112 I HA 0.230 4.386 4.170 -0.023 0.000 0.298 112 I C -1.150 175.018 176.117 0.085 0.000 1.235 112 I CA -0.529 60.827 61.300 0.094 0.000 1.021 112 I CB 2.031 40.069 38.000 0.063 0.000 1.259 112 I HN 0.587 nan 8.210 nan 0.000 0.427 113 Q N 5.230 125.064 119.800 0.057 0.000 2.337 113 Q HA 0.139 4.466 4.340 -0.023 0.000 0.270 113 Q C 0.533 176.548 176.000 0.024 0.000 1.002 113 Q CA -0.033 55.796 55.803 0.044 0.000 0.888 113 Q CB 1.170 29.921 28.738 0.022 0.000 1.222 113 Q HN 0.490 nan 8.270 nan 0.000 0.400 114 K N 1.413 121.830 120.400 0.028 0.000 2.211 114 K HA -0.183 4.123 4.320 -0.023 0.000 0.204 114 K C 0.777 177.373 176.600 -0.007 0.000 1.047 114 K CA 1.567 57.859 56.287 0.009 0.000 0.935 114 K CB 0.139 32.646 32.500 0.012 0.000 0.728 114 K HN 0.649 nan 8.250 nan 0.000 0.452 115 D N -0.711 119.683 120.400 -0.011 0.000 2.342 115 D HA 0.066 4.692 4.640 -0.023 0.000 0.221 115 D C 1.262 177.528 176.300 -0.057 0.000 1.101 115 D CA 0.198 54.182 54.000 -0.027 0.000 0.837 115 D CB 0.180 40.969 40.800 -0.019 0.000 0.938 115 D HN 0.016 nan 8.370 nan 0.000 0.508 116 A N 0.353 123.136 122.820 -0.062 0.000 1.917 116 A HA 0.051 4.358 4.320 -0.023 0.000 0.219 116 A C 1.013 178.485 177.584 -0.186 0.000 1.182 116 A CA 0.905 52.874 52.037 -0.112 0.000 0.633 116 A CB -0.301 18.654 19.000 -0.075 0.000 0.819 116 A HN 0.369 nan 8.150 nan 0.000 0.448 117 L N -1.319 119.831 121.223 -0.121 0.000 2.371 117 L HA 0.436 4.763 4.340 -0.023 0.000 0.262 117 L C -0.747 176.097 176.870 -0.043 0.000 1.006 117 L CA -0.831 53.946 54.840 -0.106 0.000 0.818 117 L CB 2.201 44.221 42.059 -0.065 0.000 1.354 117 L HN 0.236 nan 8.230 nan 0.000 0.415 118 E N 1.354 121.547 120.200 -0.012 0.000 2.227 118 E HA 0.386 4.723 4.350 -0.023 0.000 0.268 118 E C -2.475 174.134 176.600 0.015 0.000 0.990 118 E CA -1.992 54.411 56.400 0.005 0.000 0.856 118 E CB 0.868 30.580 29.700 0.020 0.000 1.159 118 E HN 0.269 nan 8.360 nan 0.000 0.401 119 P HA -0.025 nan 4.420 nan 0.000 0.264 119 P C 0.516 177.827 177.300 0.017 0.000 1.193 119 P CA 1.043 64.149 63.100 0.010 0.000 0.763 119 P CB 0.399 32.102 31.700 0.005 0.000 0.810 120 G N 1.560 110.371 108.800 0.018 0.000 2.195 120 G HA2 -0.243 3.704 3.960 -0.023 0.000 0.246 120 G HA3 -0.243 3.704 3.960 -0.023 0.000 0.246 120 G C 0.144 175.062 174.900 0.029 0.000 0.984 120 G CA -0.376 44.735 45.100 0.019 0.000 0.633 120 G HN 0.567 nan 8.290 nan 0.000 0.525 121 Q N 0.406 120.234 119.800 0.047 0.000 2.352 121 Q HA 0.515 4.841 4.340 -0.023 0.000 0.260 121 Q C 0.445 176.483 176.000 0.064 0.000 0.976 121 Q CA 0.146 55.997 55.803 0.080 0.000 0.881 121 Q CB 0.601 29.429 28.738 0.150 0.000 1.235 121 Q HN 0.467 nan 8.270 nan 0.000 0.419 122 R N 0.927 121.460 120.500 0.055 0.000 2.514 122 R HA 0.638 4.965 4.340 -0.023 0.000 0.301 122 R C -1.162 175.153 176.300 0.025 0.000 0.962 122 R CA -0.659 55.449 56.100 0.013 0.000 0.882 122 R CB 1.913 32.197 30.300 -0.027 0.000 1.143 122 R HN 0.326 nan 8.270 nan 0.000 0.452 123 V N 3.338 123.255 119.914 0.004 0.000 2.841 123 V HA 0.472 4.579 4.120 -0.023 0.000 0.310 123 V C -1.162 174.913 176.094 -0.031 0.000 1.090 123 V CA -0.735 61.583 62.300 0.029 0.000 0.930 123 V CB 2.534 34.400 31.823 0.071 0.000 1.014 123 V HN 0.472 nan 8.190 nan 0.000 0.425 124 V N 6.464 126.367 119.914 -0.017 0.000 2.417 124 V HA 0.494 4.601 4.120 -0.023 0.000 0.291 124 V C -0.188 175.936 176.094 0.050 0.000 1.024 124 V CA -0.581 61.710 62.300 -0.015 0.000 0.861 124 V CB 1.815 33.613 31.823 -0.042 0.000 0.985 124 V HN 0.665 nan 8.190 nan 0.000 0.436 125 V N 5.644 125.598 119.914 0.067 0.000 2.465 125 V HA 0.464 4.571 4.120 -0.023 0.000 0.279 125 V C 0.003 176.167 176.094 0.116 0.000 1.045 125 V CA -0.403 61.954 62.300 0.094 0.000 0.938 125 V CB 1.697 33.572 31.823 0.087 0.000 0.986 125 V HN 0.602 nan 8.190 nan 0.000 0.467 126 V N 4.227 124.221 119.914 0.133 0.000 2.540 126 V HA 0.718 4.824 4.120 -0.023 0.000 0.302 126 V C -1.128 175.067 176.094 0.168 0.000 1.035 126 V CA -0.123 62.265 62.300 0.146 0.000 0.873 126 V CB 1.972 33.891 31.823 0.161 0.000 0.992 126 V HN 1.026 nan 8.190 nan 0.000 0.428 127 D N 2.683 123.171 120.400 0.146 0.000 2.552 127 D HA 0.336 4.962 4.640 -0.023 0.000 0.239 127 D C 0.418 176.779 176.300 0.102 0.000 1.139 127 D CA -0.000 54.089 54.000 0.148 0.000 0.914 127 D CB 2.413 43.275 40.800 0.104 0.000 1.461 127 D HN 0.660 nan 8.370 nan 0.000 0.462 128 D N 0.585 121.069 120.400 0.140 0.000 2.144 128 D HA -0.085 4.542 4.640 -0.023 0.000 0.200 128 D C 0.455 176.752 176.300 -0.005 0.000 0.978 128 D CA 0.573 54.604 54.000 0.050 0.000 0.833 128 D CB 0.580 41.536 40.800 0.260 0.000 0.961 128 D HN 0.125 nan 8.370 nan 0.000 0.470 129 L N 0.371 121.615 121.223 0.034 0.000 2.493 129 L HA 0.445 4.771 4.340 -0.023 0.000 0.265 129 L C -1.957 174.925 176.870 0.020 0.000 0.954 129 L CA -1.098 53.751 54.840 0.015 0.000 0.844 129 L CB 1.747 43.783 42.059 -0.038 0.000 1.302 129 L HN 0.028 nan 8.230 nan 0.000 0.405 130 L N 4.711 125.944 121.223 0.017 0.000 2.265 130 L HA 0.777 5.103 4.340 -0.023 0.000 0.289 130 L C 0.287 177.099 176.870 -0.096 0.000 1.033 130 L CA 0.446 55.236 54.840 -0.083 0.000 0.814 130 L CB 1.255 43.148 42.059 -0.276 0.000 1.203 130 L HN 0.856 nan 8.230 nan 0.000 0.423 131 A N 2.594 125.362 122.820 -0.087 0.000 2.713 131 A HA 0.225 4.531 4.320 -0.023 0.000 0.212 131 A C 1.527 179.063 177.584 -0.081 0.000 2.263 131 A CA 0.734 52.729 52.037 -0.070 0.000 1.645 131 A CB -0.548 18.425 19.000 -0.045 0.000 1.159 131 A HN 0.707 nan 8.150 nan 0.000 0.394 132 T N -3.220 111.299 114.554 -0.059 0.000 2.995 132 T HA 0.341 4.678 4.350 -0.023 0.000 0.269 132 T C 1.452 176.106 174.700 -0.076 0.000 1.091 132 T CA 1.543 63.609 62.100 -0.057 0.000 1.128 132 T CB -0.086 68.763 68.868 -0.031 0.000 0.891 132 T HN 2.192 nan 8.240 nan 0.000 0.492 133 G N 0.039 108.783 108.800 -0.092 0.000 2.175 133 G HA2 -0.174 3.773 3.960 -0.023 0.000 0.244 133 G HA3 -0.174 3.773 3.960 -0.023 0.000 0.244 133 G C 1.081 175.936 174.900 -0.075 0.000 0.982 133 G CA 0.084 45.114 45.100 -0.116 0.000 0.641 133 G HN 0.911 nan 8.290 nan 0.000 0.527 134 G N -0.116 108.671 108.800 -0.023 0.000 2.408 134 G HA2 0.032 3.978 3.960 -0.023 0.000 0.217 134 G HA3 0.032 3.978 3.960 -0.023 0.000 0.217 134 G C 1.642 176.443 174.900 -0.165 0.000 1.150 134 G CA 2.406 47.521 45.100 0.024 0.000 0.776 134 G HN 0.618 nan 8.290 nan 0.000 0.542 135 T N 0.966 115.375 114.554 -0.243 0.000 2.701 135 T HA -0.135 4.202 4.350 -0.023 0.000 0.263 135 T C 2.333 176.830 174.700 -0.338 0.000 1.040 135 T CA 1.552 63.332 62.100 -0.534 0.000 1.147 135 T CB -0.221 68.502 68.868 -0.241 0.000 0.865 135 T HN 0.173 nan 8.240 nan 0.000 0.426 136 M N 2.036 121.535 119.600 -0.169 0.000 2.117 136 M HA -0.049 4.417 4.480 -0.023 0.000 0.262 136 M C 2.009 178.259 176.300 -0.082 0.000 1.065 136 M CA 1.359 56.606 55.300 -0.087 0.000 1.114 136 M CB -0.761 31.814 32.600 -0.042 0.000 1.361 136 M HN 0.190 nan 8.290 nan 0.000 0.408 137 N N -0.187 118.457 118.700 -0.093 0.000 2.069 137 N HA -0.173 4.554 4.740 -0.023 0.000 0.191 137 N C 1.617 177.086 175.510 -0.069 0.000 1.031 137 N CA 1.788 54.801 53.050 -0.062 0.000 0.852 137 N CB -0.093 38.367 38.487 -0.044 0.000 1.018 137 N HN 0.462 nan 8.380 nan 0.000 0.423 138 A N 0.880 123.619 122.820 -0.135 0.000 1.940 138 A HA -0.032 4.274 4.320 -0.023 0.000 0.219 138 A C 2.403 179.940 177.584 -0.079 0.000 1.176 138 A CA 1.907 53.875 52.037 -0.115 0.000 0.631 138 A CB -0.856 17.991 19.000 -0.256 0.000 0.814 138 A HN 0.514 nan 8.150 nan 0.000 0.446 139 A N -0.973 121.788 122.820 -0.099 0.000 1.873 139 A HA -0.152 4.155 4.320 -0.023 0.000 0.215 139 A C 2.313 179.891 177.584 -0.011 0.000 1.186 139 A CA 1.617 53.629 52.037 -0.041 0.000 0.616 139 A CB -1.297 17.685 19.000 -0.031 0.000 0.823 139 A HN 0.605 nan 8.150 nan 0.000 0.442 140 C N -0.635 118.658 119.300 -0.011 0.000 2.413 140 C HA -0.116 4.330 4.460 -0.023 0.000 0.276 140 C C 2.682 177.672 174.990 -0.000 0.000 1.248 140 C CA 1.245 60.265 59.018 0.003 0.000 1.742 140 C CB -1.173 26.572 27.740 0.009 0.000 2.017 140 C HN 0.772 nan 8.230 nan 0.000 0.481 141 E N 0.608 120.804 120.200 -0.007 0.000 2.051 141 E HA -0.197 4.140 4.350 -0.023 0.000 0.192 141 E C 2.091 178.685 176.600 -0.009 0.000 0.991 141 E CA 1.166 57.562 56.400 -0.006 0.000 0.799 141 E CB -0.201 29.497 29.700 -0.003 0.000 0.748 141 E HN 0.628 nan 8.360 nan 0.000 0.449 142 L N 0.573 121.794 121.223 -0.003 0.000 2.012 142 L HA -0.236 4.091 4.340 -0.023 0.000 0.210 142 L C 2.733 179.602 176.870 -0.002 0.000 1.073 142 L CA 1.049 55.888 54.840 -0.001 0.000 0.748 142 L CB -0.419 41.653 42.059 0.020 0.000 0.891 142 L HN 0.250 nan 8.230 nan 0.000 0.431 143 L N -0.597 120.628 121.223 0.004 0.000 2.042 143 L HA -0.162 4.164 4.340 -0.023 0.000 0.210 143 L C 2.651 179.521 176.870 0.000 0.000 1.076 143 L CA 1.448 56.291 54.840 0.005 0.000 0.749 143 L CB -1.141 40.927 42.059 0.014 0.000 0.893 143 L HN 0.332 nan 8.230 nan 0.000 0.432 144 G N -0.402 108.397 108.800 -0.001 0.000 2.432 144 G HA2 -0.229 3.717 3.960 -0.023 0.000 0.219 144 G HA3 -0.229 3.717 3.960 -0.023 0.000 0.219 144 G C 1.744 176.637 174.900 -0.011 0.000 1.135 144 G CA 0.383 45.481 45.100 -0.004 0.000 0.767 144 G HN 0.299 nan 8.290 nan 0.000 0.550 145 R N -0.433 120.056 120.500 -0.019 0.000 2.189 145 R HA 0.201 4.528 4.340 -0.023 0.000 0.218 145 R C 1.940 178.223 176.300 -0.028 0.000 1.074 145 R CA 0.258 56.339 56.100 -0.031 0.000 0.991 145 R CB -0.173 30.098 30.300 -0.049 0.000 0.883 145 R HN 0.328 nan 8.270 nan 0.000 0.457 146 L N 0.716 121.928 121.223 -0.019 0.000 2.612 146 L HA 0.049 4.375 4.340 -0.023 0.000 0.230 146 L C 0.166 177.031 176.870 -0.009 0.000 1.140 146 L CA 0.254 55.084 54.840 -0.015 0.000 0.896 146 L CB -0.178 41.873 42.059 -0.014 0.000 1.065 146 L HN 0.240 nan 8.230 nan 0.000 0.447 147 Q N -1.003 118.793 119.800 -0.008 0.000 2.480 147 Q HA -0.207 4.120 4.340 -0.023 0.000 0.265 147 Q C 0.333 176.336 176.000 0.004 0.000 1.072 147 Q CA 0.445 56.246 55.803 -0.003 0.000 1.018 147 Q CB -1.576 27.160 28.738 -0.003 0.000 1.433 147 Q HN 0.565 nan 8.270 nan 0.000 0.513 148 A N 0.956 123.779 122.820 0.006 0.000 2.302 148 A HA 0.440 4.746 4.320 -0.023 0.000 0.285 148 A C -0.009 177.583 177.584 0.012 0.000 1.105 148 A CA -0.280 51.766 52.037 0.014 0.000 0.816 148 A CB 0.782 19.793 19.000 0.017 0.000 1.067 148 A HN 0.299 nan 8.150 nan 0.000 0.489 149 E N 1.638 121.845 120.200 0.013 0.000 2.115 149 E HA 0.433 4.770 4.350 -0.023 0.000 0.282 149 E C -1.246 175.353 176.600 -0.001 0.000 0.987 149 E CA -0.489 55.914 56.400 0.006 0.000 0.797 149 E CB 0.875 30.576 29.700 0.002 0.000 1.086 149 E HN 0.377 nan 8.360 nan 0.000 0.397 150 V N 7.498 127.413 119.914 0.003 0.000 2.372 150 V HA 0.026 4.132 4.120 -0.023 0.000 0.261 150 V C 1.359 177.443 176.094 -0.017 0.000 1.055 150 V CA 0.048 62.348 62.300 -0.001 0.000 0.930 150 V CB 0.533 32.368 31.823 0.019 0.000 1.031 150 V HN 0.852 nan 8.190 nan 0.000 0.479 151 L N 2.808 123.983 121.223 -0.081 0.000 2.109 151 L HA 0.158 4.485 4.340 -0.023 0.000 0.207 151 L C 1.050 177.891 176.870 -0.049 0.000 1.086 151 L CA 1.294 56.046 54.840 -0.146 0.000 0.760 151 L CB 0.056 41.825 42.059 -0.482 0.000 0.910 151 L HN 0.735 nan 8.230 nan 0.000 0.437 152 E N -2.122 118.060 120.200 -0.030 0.000 2.396 152 E HA 0.285 4.622 4.350 -0.023 0.000 0.280 152 E C -1.900 174.760 176.600 0.100 0.000 1.065 152 E CA -0.746 55.710 56.400 0.093 0.000 0.831 152 E CB 1.798 31.618 29.700 0.200 0.000 1.272 152 E HN -0.064 nan 8.360 nan 0.000 0.443 153 C N 2.148 121.553 119.300 0.175 0.000 2.456 153 C HA 0.851 5.297 4.460 -0.023 0.000 0.325 153 C C -0.481 174.596 174.990 0.145 0.000 1.217 153 C CA -0.578 58.567 59.018 0.212 0.000 1.687 153 C CB 0.632 28.558 27.740 0.310 0.000 2.270 153 C HN 0.485 nan 8.230 nan 0.000 0.499 154 V N 1.023 120.997 119.914 0.100 0.000 3.007 154 V HA 1.022 5.128 4.120 -0.023 0.000 0.311 154 V C -0.466 175.659 176.094 0.052 0.000 1.120 154 V CA -0.253 62.016 62.300 -0.051 0.000 0.980 154 V CB 1.732 33.590 31.823 0.058 0.000 1.033 154 V HN 1.070 nan 8.190 nan 0.000 0.429 155 S N 2.510 118.190 115.700 -0.034 0.000 2.607 155 S HA 0.687 5.144 4.470 -0.023 0.000 0.273 155 S C 0.022 174.552 174.600 -0.117 0.000 1.148 155 S CA -0.695 57.511 58.200 0.010 0.000 0.833 155 S CB 1.767 65.087 63.200 0.201 0.000 1.130 155 S HN 0.769 nan 8.310 nan 0.000 0.470 156 L N 0.925 122.033 121.223 -0.192 0.000 2.109 156 L HA 0.315 4.641 4.340 -0.023 0.000 0.207 156 L C 0.279 177.091 176.870 -0.097 0.000 1.086 156 L CA 1.157 55.874 54.840 -0.206 0.000 0.760 156 L CB -0.196 41.681 42.059 -0.302 0.000 0.910 156 L HN 0.642 nan 8.230 nan 0.000 0.437 157 V N -0.927 118.974 119.914 -0.022 0.000 2.709 157 V HA 0.407 4.513 4.120 -0.023 0.000 0.308 157 V C -0.598 175.550 176.094 0.091 0.000 1.062 157 V CA -0.921 61.418 62.300 0.065 0.000 0.901 157 V CB 2.199 34.077 31.823 0.092 0.000 1.003 157 V HN 0.103 nan 8.190 nan 0.000 0.425 158 E N 3.459 123.723 120.200 0.107 0.000 2.246 158 E HA 0.485 4.822 4.350 -0.023 0.000 0.266 158 E C -1.900 174.746 176.600 0.077 0.000 0.880 158 E CA -0.844 55.609 56.400 0.090 0.000 0.762 158 E CB 1.842 31.630 29.700 0.148 0.000 1.180 158 E HN 0.453 nan 8.360 nan 0.000 0.416 159 L N 4.981 126.223 121.223 0.030 0.000 2.315 159 L HA 0.177 4.503 4.340 -0.023 0.000 0.278 159 L C 1.539 178.407 176.870 -0.003 0.000 1.088 159 L CA 0.168 55.029 54.840 0.035 0.000 0.899 159 L CB 0.300 42.362 42.059 0.006 0.000 1.277 159 L HN 0.762 nan 8.230 nan 0.000 0.431 160 T N -2.812 111.746 114.554 0.006 0.000 2.915 160 T HA -0.141 4.195 4.350 -0.023 0.000 0.269 160 T C 1.751 176.440 174.700 -0.018 0.000 1.071 160 T CA 1.194 63.284 62.100 -0.016 0.000 1.132 160 T CB -0.083 68.777 68.868 -0.015 0.000 0.878 160 T HN 0.509 nan 8.240 nan 0.000 0.479 161 S N 1.017 116.713 115.700 -0.007 0.000 2.515 161 S HA 0.087 4.543 4.470 -0.023 0.000 0.231 161 S C 1.680 176.268 174.600 -0.019 0.000 0.987 161 S CA 0.086 58.280 58.200 -0.009 0.000 0.936 161 S CB -0.561 62.640 63.200 0.001 0.000 0.766 161 S HN 0.300 nan 8.310 nan 0.000 0.528 162 L N 0.918 122.124 121.223 -0.029 0.000 2.492 162 L HA 0.369 4.695 4.340 -0.023 0.000 0.223 162 L C 1.066 177.904 176.870 -0.054 0.000 1.132 162 L CA 0.665 55.480 54.840 -0.040 0.000 0.850 162 L CB -1.234 40.797 42.059 -0.046 0.000 0.966 162 L HN 0.340 nan 8.230 nan 0.000 0.454 163 K N -1.103 119.261 120.400 -0.059 0.000 3.192 163 K HA -0.216 4.091 4.320 -0.023 0.000 0.278 163 K C 1.418 177.961 176.600 -0.095 0.000 1.164 163 K CA 0.310 56.558 56.287 -0.064 0.000 0.816 163 K CB -2.030 30.445 32.500 -0.042 0.000 1.256 163 K HN 0.434 nan 8.250 nan 0.000 0.497 164 G N 1.249 109.963 108.800 -0.143 0.000 2.440 164 G HA2 -0.331 3.615 3.960 -0.023 0.000 0.218 164 G HA3 -0.331 3.615 3.960 -0.023 0.000 0.218 164 G C 1.232 175.980 174.900 -0.253 0.000 1.154 164 G CA 1.173 46.147 45.100 -0.209 0.000 0.767 164 G HN 0.503 nan 8.290 nan 0.000 0.552 165 R N 0.687 121.027 120.500 -0.267 0.000 2.083 165 R HA -0.111 4.215 4.340 -0.023 0.000 0.237 165 R C 2.386 178.644 176.300 -0.070 0.000 1.137 165 R CA 1.931 57.920 56.100 -0.186 0.000 0.951 165 R CB -0.395 29.870 30.300 -0.059 0.000 0.851 165 R HN 0.476 nan 8.270 nan 0.000 0.434 166 E N 0.315 120.481 120.200 -0.056 0.000 2.077 166 E HA -0.233 4.103 4.350 -0.023 0.000 0.193 166 E C 2.026 178.607 176.600 -0.031 0.000 0.989 166 E CA 1.485 57.868 56.400 -0.029 0.000 0.800 166 E CB -0.050 29.634 29.700 -0.026 0.000 0.746 166 E HN 0.325 nan 8.360 nan 0.000 0.452 167 K N 0.903 121.272 120.400 -0.052 0.000 2.103 167 K HA -0.148 4.159 4.320 -0.023 0.000 0.207 167 K C 2.002 178.581 176.600 -0.034 0.000 1.048 167 K CA 0.996 57.257 56.287 -0.043 0.000 0.930 167 K CB 0.007 32.474 32.500 -0.056 0.000 0.716 167 K HN 0.087 nan 8.250 nan 0.000 0.444 168 L N 0.897 122.092 121.223 -0.046 0.000 2.156 168 L HA 0.047 4.373 4.340 -0.023 0.000 0.208 168 L C 1.000 177.883 176.870 0.021 0.000 1.095 168 L CA 0.024 54.858 54.840 -0.011 0.000 0.770 168 L CB -0.536 41.521 42.059 -0.002 0.000 0.914 168 L HN 0.145 nan 8.230 nan 0.000 0.439 169 A N 1.459 124.292 122.820 0.022 0.000 2.584 169 A HA 0.042 4.349 4.320 -0.023 0.000 0.239 169 A C -1.153 176.447 177.584 0.026 0.000 1.043 169 A CA -0.540 51.517 52.037 0.034 0.000 0.756 169 A CB -0.369 18.647 19.000 0.027 0.000 0.963 169 A HN 0.164 nan 8.150 nan 0.000 0.511 170 P HA 0.104 nan 4.420 nan 0.000 0.255 170 P C -0.182 177.152 177.300 0.058 0.000 1.248 170 P CA 0.005 63.130 63.100 0.042 0.000 0.807 170 P CB -0.134 31.585 31.700 0.033 0.000 1.150 171 V N 3.197 123.148 119.914 0.063 0.000 2.485 171 V HA 0.085 4.191 4.120 -0.023 0.000 0.287 171 V C -1.932 174.239 176.094 0.128 0.000 1.022 171 V CA -1.072 61.278 62.300 0.084 0.000 1.067 171 V CB -0.255 31.615 31.823 0.078 0.000 0.967 171 V HN 0.088 nan 8.190 nan 0.000 0.479 172 P HA 0.279 nan 4.420 nan 0.000 0.270 172 P C -0.950 176.507 177.300 0.262 0.000 1.223 172 P CA -0.059 63.152 63.100 0.185 0.000 0.785 172 P CB 0.409 32.213 31.700 0.174 0.000 0.923 173 F N 2.430 122.455 119.950 0.125 0.000 2.591 173 F HA 0.677 5.188 4.527 -0.026 0.000 0.309 173 F C -1.919 173.984 175.800 0.172 0.000 1.098 173 F CA -0.940 57.134 58.000 0.123 0.000 0.937 173 F CB 1.324 40.359 39.000 0.057 0.000 1.250 173 F HN 0.198 nan 8.300 nan 0.000 0.447 174 F N 4.426 123.593 119.950 -1.305 0.000 2.574 174 F HA 0.655 5.170 4.527 -0.019 0.000 0.313 174 F C -1.435 173.664 175.800 -1.169 0.000 1.130 174 F CA -0.310 57.108 58.000 -0.969 0.000 0.936 174 F CB 1.839 40.402 39.000 -0.729 0.000 1.219 174 F HN 0.546 nan 8.300 nan 0.000 0.445 175 S N 5.733 120.671 115.700 -1.271 0.000 2.536 175 S HA 0.541 4.998 4.470 -0.023 0.000 0.298 175 S C 0.416 174.387 174.600 -1.049 0.000 1.083 175 S CA -0.887 56.826 58.200 -0.812 0.000 0.995 175 S CB 1.876 64.939 63.200 -0.229 0.000 1.058 175 S HN 0.809 nan 8.310 nan 0.000 0.488 176 L N 0.477 121.351 121.223 -0.581 0.000 2.056 176 L HA 0.199 4.525 4.340 -0.023 0.000 0.207 176 L C 0.114 176.794 176.870 -0.316 0.000 1.078 176 L CA 1.111 55.713 54.840 -0.396 0.000 0.749 176 L CB -0.353 41.597 42.059 -0.182 0.000 0.901 176 L HN 0.530 nan 8.230 nan 0.000 0.433 177 L N -0.761 120.312 121.223 -0.249 0.000 2.401 177 L HA 0.430 4.756 4.340 -0.023 0.000 0.266 177 L C -1.210 175.510 176.870 -0.249 0.000 0.991 177 L CA -0.697 53.996 54.840 -0.245 0.000 0.818 177 L CB 2.123 44.090 42.059 -0.153 0.000 1.321 177 L HN -0.061 nan 8.230 nan 0.000 0.413 178 Q N 1.786 121.359 119.800 -0.378 0.000 2.337 178 Q HA 0.631 4.957 4.340 -0.023 0.000 0.270 178 Q C -1.762 173.938 176.000 -0.499 0.000 1.043 178 Q CA -0.414 55.222 55.803 -0.277 0.000 0.794 178 Q CB 2.487 31.118 28.738 -0.179 0.000 1.281 178 Q HN 0.287 nan 8.270 nan 0.000 0.446 179 Y N 0.076 120.352 120.300 -0.040 0.000 2.499 179 Y HA 0.333 4.859 4.550 -0.041 0.000 0.347 179 Y C 0.591 176.474 175.900 -0.028 0.000 0.987 179 Y CA -1.349 56.733 58.100 -0.031 0.000 1.044 179 Y CB 1.278 39.721 38.460 -0.028 0.000 1.245 179 Y HN 0.601 nan 8.280 nan 0.000 0.461 180 E N 0.000 120.272 120.200 0.119 0.000 2.725 180 E HA 0.000 4.336 4.350 -0.023 0.000 0.291 180 E CA 0.000 56.440 56.400 0.067 0.000 0.976 180 E CB 0.000 29.732 29.700 0.053 0.000 0.812 180 E HN 0.000 nan 8.360 nan 0.000 0.440