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 3glg_1_B DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATADPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.135 176.094 0.069 0.000 1.182 5 V CA 0.000 62.323 62.300 0.039 0.000 1.235 5 V CB 0.000 31.840 31.823 0.028 0.000 1.184 6 L N 1.821 123.106 121.223 0.103 0.000 2.027 6 L HA -0.124 4.215 4.340 -0.002 0.000 0.206 6 L C 2.599 179.575 176.870 0.176 0.000 1.074 6 L CA 2.330 57.283 54.840 0.189 0.000 0.745 6 L CB -0.388 41.764 42.059 0.155 0.000 0.898 6 L HN 1.020 nan 8.230 nan 0.000 0.433 7 A N 0.218 123.096 122.820 0.096 0.000 1.948 7 A HA -0.244 4.075 4.320 -0.002 0.000 0.220 7 A C 2.358 179.978 177.584 0.061 0.000 1.177 7 A CA 1.771 53.850 52.037 0.070 0.000 0.636 7 A CB -0.434 18.588 19.000 0.038 0.000 0.815 7 A HN 0.397 nan 8.150 nan 0.000 0.449 8 R N -0.947 119.578 120.500 0.041 0.000 2.057 8 R HA 0.005 4.344 4.340 -0.002 0.000 0.224 8 R C 2.396 178.681 176.300 -0.025 0.000 1.136 8 R CA 1.151 57.255 56.100 0.006 0.000 0.968 8 R CB -0.381 29.914 30.300 -0.008 0.000 0.863 8 R HN 0.565 nan 8.270 nan 0.000 0.433 9 K N 0.603 120.972 120.400 -0.051 0.000 2.001 9 K HA -0.187 4.132 4.320 -0.002 0.000 0.214 9 K C 1.028 177.454 176.600 -0.290 0.000 1.050 9 K CA 1.706 57.862 56.287 -0.218 0.000 0.934 9 K CB -0.134 32.178 32.500 -0.314 0.000 0.718 9 K HN 0.187 nan 8.250 nan 0.000 0.443 10 W N 2.158 123.436 121.300 -0.036 0.000 3.466 10 W HA 0.126 4.785 4.660 -0.002 0.000 0.323 10 W C 0.187 176.666 176.519 -0.067 0.000 1.264 10 W CA -0.603 56.709 57.345 -0.055 0.000 1.750 10 W CB 0.056 29.479 29.460 -0.062 0.000 1.040 10 W HN 0.052 nan 8.180 nan 0.000 0.742 11 R N 2.271 122.811 120.500 0.066 0.000 2.370 11 R HA 0.100 4.439 4.340 -0.002 0.000 0.309 11 R C -2.275 174.026 176.300 0.002 0.000 1.059 11 R CA -1.624 54.488 56.100 0.020 0.000 0.981 11 R CB 0.326 30.615 30.300 -0.018 0.000 0.972 11 R HN -0.169 nan 8.270 nan 0.000 0.437 12 P HA -0.038 nan 4.420 nan 0.000 0.263 12 P C -0.468 176.819 177.300 -0.021 0.000 1.195 12 P CA 0.226 63.322 63.100 -0.008 0.000 0.762 12 P CB 0.798 32.469 31.700 -0.049 0.000 0.799 13 Q N 0.416 120.212 119.800 -0.008 0.000 2.281 13 Q HA 0.138 4.477 4.340 -0.002 0.000 0.215 13 Q C 0.204 176.221 176.000 0.027 0.000 0.867 13 Q CA 0.677 56.474 55.803 -0.010 0.000 0.940 13 Q CB 0.476 29.195 28.738 -0.032 0.000 1.111 13 Q HN 0.372 nan 8.270 nan 0.000 0.513 14 T N -0.212 114.375 114.554 0.055 0.000 2.893 14 T HA 0.404 4.753 4.350 -0.002 0.000 0.291 14 T C 0.566 175.383 174.700 0.195 0.000 1.028 14 T CA -0.605 61.562 62.100 0.112 0.000 0.995 14 T CB 1.021 69.928 68.868 0.066 0.000 1.051 14 T HN -0.044 nan 8.240 nan 0.000 0.470 15 F N 1.307 121.218 119.950 -0.065 0.000 2.126 15 F HA -0.145 4.381 4.527 -0.002 0.000 0.299 15 F C 2.757 178.523 175.800 -0.058 0.000 1.096 15 F CA 1.112 59.068 58.000 -0.072 0.000 1.255 15 F CB -0.138 38.819 39.000 -0.072 0.000 0.997 15 F HN 0.733 nan 8.300 nan 0.000 0.479 16 A N 0.238 123.151 122.820 0.155 0.000 1.903 16 A HA -0.283 4.036 4.320 -0.002 0.000 0.219 16 A C 1.675 179.275 177.584 0.026 0.000 1.191 16 A CA 2.299 54.377 52.037 0.069 0.000 0.638 16 A CB -0.939 18.097 19.000 0.060 0.000 0.823 16 A HN 0.317 nan 8.150 nan 0.000 0.451 17 D N -0.619 119.798 120.400 0.029 0.000 2.351 17 D HA 0.015 4.654 4.640 -0.002 0.000 0.216 17 D C 0.452 176.725 176.300 -0.045 0.000 0.968 17 D CA 0.425 54.425 54.000 0.000 0.000 0.899 17 D CB -0.370 40.446 40.800 0.027 0.000 0.907 17 D HN 0.214 nan 8.370 nan 0.000 0.514 18 V N 1.302 121.173 119.914 -0.072 0.000 2.530 18 V HA 0.074 4.193 4.120 -0.002 0.000 0.282 18 V C 0.573 176.600 176.094 -0.112 0.000 1.048 18 V CA -0.651 61.575 62.300 -0.123 0.000 0.997 18 V CB 1.893 33.582 31.823 -0.224 0.000 0.987 18 V HN -0.195 nan 8.190 nan 0.000 0.477 19 V N 5.761 125.612 119.914 -0.106 0.000 2.555 19 V HA 0.568 4.687 4.120 -0.002 0.000 0.286 19 V C 1.199 177.238 176.094 -0.091 0.000 1.044 19 V CA 0.943 63.188 62.300 -0.091 0.000 1.026 19 V CB 0.130 31.907 31.823 -0.076 0.000 0.981 19 V HN 1.294 nan 8.190 nan 0.000 0.480 20 G N 3.946 112.700 108.800 -0.075 0.000 2.578 20 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.284 20 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.284 20 G C 0.183 175.032 174.900 -0.084 0.000 1.283 20 G CA 0.390 45.458 45.100 -0.053 0.000 0.944 20 G HN 1.061 nan 8.290 nan 0.000 0.558 21 Q N -1.770 117.994 119.800 -0.060 0.000 2.465 21 Q HA -0.194 4.145 4.340 -0.002 0.000 0.248 21 Q C 1.295 177.116 176.000 -0.299 0.000 0.819 21 Q CA 2.084 57.768 55.803 -0.197 0.000 1.219 21 Q CB -1.858 26.744 28.738 -0.227 0.000 1.472 21 Q HN 0.967 nan 8.270 nan 0.000 0.630 22 E N -0.052 120.090 120.200 -0.096 0.000 2.333 22 E HA -0.155 4.194 4.350 -0.002 0.000 0.198 22 E C 1.660 178.236 176.600 -0.039 0.000 1.007 22 E CA 1.341 57.708 56.400 -0.056 0.000 0.845 22 E CB -0.178 29.532 29.700 0.018 0.000 0.766 22 E HN 0.724 nan 8.360 nan 0.000 0.507 23 H N -1.412 117.668 119.070 0.017 0.000 2.548 23 H HA 0.170 4.726 4.556 -0.002 0.000 0.265 23 H C 1.586 176.960 175.328 0.077 0.000 0.969 23 H CA 0.331 56.414 56.048 0.058 0.000 1.155 23 H CB 0.128 29.937 29.762 0.078 0.000 1.394 23 H HN 0.035 nan 8.280 nan 0.000 0.570 24 V N 1.087 120.722 119.914 -0.464 0.000 2.627 24 V HA -0.073 4.046 4.120 -0.002 0.000 0.239 24 V C 2.798 178.678 176.094 -0.357 0.000 1.077 24 V CA 0.398 62.461 62.300 -0.395 0.000 1.103 24 V CB -0.284 31.293 31.823 -0.411 0.000 0.802 24 V HN 0.170 nan 8.190 nan 0.000 0.482 25 L N 0.179 121.218 121.223 -0.307 0.000 1.997 25 L HA -0.260 4.079 4.340 -0.002 0.000 0.216 25 L C 2.614 179.472 176.870 -0.020 0.000 1.074 25 L CA 2.326 57.041 54.840 -0.208 0.000 0.763 25 L CB -1.169 40.745 42.059 -0.241 0.000 0.890 25 L HN 0.354 nan 8.230 nan 0.000 0.434 26 T N -0.346 114.202 114.554 -0.010 0.000 2.759 26 T HA -0.193 4.156 4.350 -0.002 0.000 0.269 26 T C 1.905 176.646 174.700 0.069 0.000 1.042 26 T CA 1.404 63.534 62.100 0.050 0.000 1.140 26 T CB -0.214 68.688 68.868 0.056 0.000 0.864 26 T HN 0.489 nan 8.240 nan 0.000 0.455 27 A N 0.790 123.642 122.820 0.054 0.000 1.929 27 A HA 0.140 4.459 4.320 -0.002 0.000 0.216 27 A C 2.288 179.938 177.584 0.110 0.000 1.176 27 A CA 0.799 52.907 52.037 0.119 0.000 0.628 27 A CB -0.604 18.537 19.000 0.235 0.000 0.816 27 A HN 0.442 nan 8.150 nan 0.000 0.444 28 L N -0.694 120.530 121.223 0.002 0.000 1.994 28 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 28 L C 3.171 180.124 176.870 0.138 0.000 1.071 28 L CA 1.173 56.064 54.840 0.085 0.000 0.745 28 L CB -0.825 41.266 42.059 0.053 0.000 0.892 28 L HN 0.459 nan 8.230 nan 0.000 0.431 29 A N 0.831 123.742 122.820 0.153 0.000 1.859 29 A HA -0.304 4.015 4.320 -0.002 0.000 0.218 29 A C 1.981 179.607 177.584 0.070 0.000 1.209 29 A CA 2.563 54.654 52.037 0.090 0.000 0.639 29 A CB -0.923 18.137 19.000 0.099 0.000 0.835 29 A HN 0.470 nan 8.150 nan 0.000 0.450 30 N N -0.037 118.716 118.700 0.089 0.000 2.205 30 N HA -0.080 4.659 4.740 -0.002 0.000 0.186 30 N C 1.701 177.277 175.510 0.111 0.000 1.015 30 N CA 1.403 54.506 53.050 0.088 0.000 0.862 30 N CB -0.742 37.800 38.487 0.092 0.000 0.986 30 N HN 0.534 nan 8.380 nan 0.000 0.429 31 G N 0.733 109.626 108.800 0.154 0.000 2.394 31 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.215 31 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.215 31 G C 1.594 176.589 174.900 0.159 0.000 1.165 31 G CA 0.327 45.547 45.100 0.201 0.000 0.784 31 G HN 0.208 nan 8.290 nan 0.000 0.535 32 L N 0.692 121.988 121.223 0.121 0.000 1.955 32 L HA -0.130 4.209 4.340 -0.002 0.000 0.213 32 L C 3.072 179.978 176.870 0.060 0.000 1.072 32 L CA 1.525 56.409 54.840 0.074 0.000 0.755 32 L CB -0.837 41.229 42.059 0.012 0.000 0.888 32 L HN 0.344 nan 8.230 nan 0.000 0.432 33 S N 0.251 115.975 115.700 0.041 0.000 2.378 33 S HA -0.208 4.261 4.470 -0.002 0.000 0.229 33 S C 1.578 176.206 174.600 0.047 0.000 1.052 33 S CA 1.639 59.859 58.200 0.033 0.000 1.084 33 S CB -0.342 62.875 63.200 0.028 0.000 0.950 33 S HN 0.341 nan 8.310 nan 0.000 0.440 34 L N 0.800 122.061 121.223 0.063 0.000 2.728 34 L HA 0.354 4.693 4.340 -0.002 0.000 0.235 34 L C 1.457 178.367 176.870 0.068 0.000 1.197 34 L CA 0.230 55.107 54.840 0.061 0.000 0.992 34 L CB -0.202 41.895 42.059 0.063 0.000 1.263 34 L HN 0.567 nan 8.230 nan 0.000 0.484 35 G N 0.796 109.643 108.800 0.077 0.000 2.153 35 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.252 35 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.252 35 G C 0.436 175.389 174.900 0.088 0.000 0.994 35 G CA -0.132 45.018 45.100 0.084 0.000 0.698 35 G HN 0.458 nan 8.290 nan 0.000 0.521 36 R N 0.511 121.072 120.500 0.102 0.000 2.755 36 R HA 0.342 4.681 4.340 -0.002 0.000 0.268 36 R C 0.147 176.540 176.300 0.155 0.000 1.295 36 R CA -0.457 55.690 56.100 0.080 0.000 1.379 36 R CB 0.317 30.668 30.300 0.085 0.000 1.170 36 R HN 0.257 nan 8.270 nan 0.000 0.584 37 I N 3.062 123.721 120.570 0.148 0.000 2.312 37 I HA 0.223 4.392 4.170 -0.002 0.000 0.290 37 I C 0.399 176.669 176.117 0.255 0.000 1.008 37 I CA -1.020 60.451 61.300 0.285 0.000 1.226 37 I CB 0.549 38.654 38.000 0.175 0.000 1.371 37 I HN 0.365 nan 8.210 nan 0.000 0.468 38 H N 4.195 123.420 119.070 0.259 0.000 2.679 38 H HA 0.138 4.693 4.556 -0.002 0.000 0.369 38 H C 1.056 176.521 175.328 0.228 0.000 1.178 38 H CA -0.137 55.978 56.048 0.111 0.000 1.419 38 H CB 0.285 29.873 29.762 -0.291 0.000 1.458 38 H HN 0.601 nan 8.280 nan 0.000 0.605 39 H N -0.667 118.540 119.070 0.228 0.000 2.548 39 H HA 0.506 5.061 4.556 -0.002 0.000 0.268 39 H C -0.121 175.389 175.328 0.304 0.000 0.975 39 H CA 0.311 56.491 56.048 0.219 0.000 1.195 39 H CB 0.519 30.379 29.762 0.163 0.000 1.397 39 H HN 0.524 nan 8.280 nan 0.000 0.572 40 A N 0.588 123.384 122.820 -0.041 0.000 2.480 40 A HA 0.451 4.770 4.320 -0.002 0.000 0.289 40 A C -1.933 175.636 177.584 -0.026 0.000 1.044 40 A CA -0.777 51.301 52.037 0.068 0.000 0.761 40 A CB 0.610 19.557 19.000 -0.088 0.000 1.289 40 A HN 0.204 nan 8.150 nan 0.000 0.401 41 Y N 1.140 121.402 120.300 -0.063 0.000 2.387 41 Y HA 0.696 5.245 4.550 -0.002 0.000 0.336 41 Y C -0.098 175.651 175.900 -0.250 0.000 1.067 41 Y CA -1.235 56.742 58.100 -0.205 0.000 1.114 41 Y CB 2.045 40.390 38.460 -0.192 0.000 1.208 41 Y HN 0.655 nan 8.280 nan 0.000 0.458 42 L N 3.942 125.001 121.223 -0.272 0.000 2.349 42 L HA 0.639 4.978 4.340 -0.002 0.000 0.278 42 L C -2.026 174.693 176.870 -0.253 0.000 0.996 42 L CA -0.793 53.948 54.840 -0.165 0.000 0.825 42 L CB 0.323 42.324 42.059 -0.096 0.000 1.243 42 L HN 0.356 nan 8.230 nan 0.000 0.412 43 F N 3.799 123.847 119.950 0.163 0.000 2.411 43 F HA 0.728 5.254 4.527 -0.002 0.000 0.352 43 F C 0.681 176.546 175.800 0.108 0.000 1.123 43 F CA -0.123 57.965 58.000 0.147 0.000 1.044 43 F CB 1.823 40.884 39.000 0.103 0.000 1.135 43 F HN 0.647 nan 8.300 nan 0.000 0.461 44 S N 1.614 117.466 115.700 0.254 0.000 2.709 44 S HA 1.029 5.498 4.470 -0.002 0.000 0.302 44 S C -0.287 174.326 174.600 0.023 0.000 1.127 44 S CA -0.386 57.920 58.200 0.177 0.000 0.905 44 S CB 2.006 65.346 63.200 0.234 0.000 1.151 44 S HN 1.432 nan 8.310 nan 0.000 0.510 45 G N 0.197 108.980 108.800 -0.028 0.000 2.347 45 G HA2 0.341 4.300 3.960 -0.002 0.000 0.341 45 G HA3 0.341 4.300 3.960 -0.002 0.000 0.341 45 G C -0.462 174.420 174.900 -0.030 0.000 1.287 45 G CA -0.322 44.657 45.100 -0.202 0.000 0.984 45 G HN 1.397 nan 8.290 nan 0.000 0.526 46 T N -0.144 114.392 114.554 -0.029 0.000 2.788 46 T HA 0.580 4.929 4.350 -0.002 0.000 0.280 46 T C 0.974 175.675 174.700 0.000 0.000 0.984 46 T CA -0.125 61.976 62.100 0.003 0.000 0.972 46 T CB 0.647 69.519 68.868 0.005 0.000 1.039 46 T HN 1.255 nan 8.240 nan 0.000 0.530 47 R N 0.409 120.913 120.500 0.007 0.000 2.481 47 R HA 0.109 4.448 4.340 -0.002 0.000 0.291 47 R C 0.776 177.075 176.300 -0.001 0.000 0.934 47 R CA 0.688 56.793 56.100 0.008 0.000 1.116 47 R CB -1.692 28.613 30.300 0.008 0.000 0.895 47 R HN 1.461 nan 8.270 nan 0.000 0.410 48 G N 2.136 110.934 108.800 -0.003 0.000 2.350 48 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.298 48 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.298 48 G C 0.109 174.994 174.900 -0.024 0.000 1.037 48 G CA 0.111 45.203 45.100 -0.012 0.000 1.074 48 G HN 0.558 nan 8.290 nan 0.000 0.511 49 V N -1.030 118.864 119.914 -0.034 0.000 3.432 49 V HA 0.584 4.703 4.120 -0.002 0.000 0.298 49 V C 1.846 177.896 176.094 -0.072 0.000 1.464 49 V CA 0.900 63.172 62.300 -0.047 0.000 1.046 49 V CB 0.395 32.191 31.823 -0.046 0.000 0.887 49 V HN 1.940 nan 8.190 nan 0.000 0.441 50 G N 0.391 109.144 108.800 -0.079 0.000 2.227 50 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.168 50 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.168 50 G C 0.828 175.636 174.900 -0.153 0.000 1.006 50 G CA 0.285 45.311 45.100 -0.124 0.000 0.684 50 G HN 0.309 nan 8.290 nan 0.000 0.489 51 K N 0.164 120.510 120.400 -0.090 0.000 2.000 51 K HA -0.181 4.138 4.320 -0.002 0.000 0.218 51 K C 2.880 179.395 176.600 -0.142 0.000 1.053 51 K CA 2.556 58.807 56.287 -0.060 0.000 0.946 51 K CB -0.327 32.197 32.500 0.039 0.000 0.723 51 K HN 0.556 nan 8.250 nan 0.000 0.446 52 T N -2.043 112.457 114.554 -0.091 0.000 3.043 52 T HA 0.041 4.390 4.350 -0.002 0.000 0.263 52 T C 2.044 176.649 174.700 -0.159 0.000 1.094 52 T CA 1.111 63.153 62.100 -0.098 0.000 1.127 52 T CB 0.094 68.946 68.868 -0.028 0.000 0.905 52 T HN -0.031 nan 8.240 nan 0.000 0.490 53 S N 1.412 117.016 115.700 -0.161 0.000 2.368 53 S HA 0.070 4.539 4.470 -0.002 0.000 0.225 53 S C 1.901 176.348 174.600 -0.255 0.000 1.030 53 S CA 1.344 59.444 58.200 -0.167 0.000 0.999 53 S CB -0.433 62.682 63.200 -0.142 0.000 0.844 53 S HN 0.528 nan 8.310 nan 0.000 0.459 54 I N 1.534 121.874 120.570 -0.383 0.000 2.315 54 I HA -0.170 3.999 4.170 -0.002 0.000 0.248 54 I C 2.723 178.464 176.117 -0.626 0.000 1.117 54 I CA 0.948 61.910 61.300 -0.563 0.000 1.404 54 I CB -0.738 36.836 38.000 -0.711 0.000 1.071 54 I HN 0.252 nan 8.210 nan 0.000 0.419 55 A N 1.374 123.792 122.820 -0.670 0.000 1.892 55 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 55 A C 2.386 179.849 177.584 -0.202 0.000 1.188 55 A CA 1.717 53.497 52.037 -0.427 0.000 0.631 55 A CB -0.666 18.232 19.000 -0.171 0.000 0.822 55 A HN 0.357 nan 8.150 nan 0.000 0.447 56 R N -0.675 119.726 120.500 -0.165 0.000 2.189 56 R HA 0.043 4.382 4.340 -0.002 0.000 0.223 56 R C 1.870 178.118 176.300 -0.086 0.000 1.092 56 R CA 1.005 57.043 56.100 -0.105 0.000 0.989 56 R CB -0.360 29.888 30.300 -0.086 0.000 0.876 56 R HN 0.549 nan 8.270 nan 0.000 0.457 57 L N -0.188 120.990 121.223 -0.076 0.000 2.102 57 L HA -0.096 4.243 4.340 -0.002 0.000 0.202 57 L C 2.214 179.151 176.870 0.112 0.000 1.076 57 L CA 0.381 55.271 54.840 0.084 0.000 0.761 57 L CB -0.484 41.713 42.059 0.231 0.000 0.921 57 L HN 0.124 nan 8.230 nan 0.000 0.444 58 L N 0.768 122.019 121.223 0.047 0.000 2.197 58 L HA -0.233 4.106 4.340 -0.002 0.000 0.215 58 L C 2.557 179.382 176.870 -0.074 0.000 1.095 58 L CA 1.958 56.795 54.840 -0.006 0.000 0.764 58 L CB -0.654 41.356 42.059 -0.082 0.000 0.897 58 L HN 0.205 nan 8.230 nan 0.000 0.436 59 A N -1.111 121.661 122.820 -0.081 0.000 1.872 59 A HA -0.183 4.136 4.320 -0.002 0.000 0.214 59 A C 2.316 179.814 177.584 -0.143 0.000 1.187 59 A CA 1.604 53.579 52.037 -0.104 0.000 0.614 59 A CB -0.377 18.562 19.000 -0.102 0.000 0.826 59 A HN 0.443 nan 8.150 nan 0.000 0.442 60 K N -0.671 119.641 120.400 -0.146 0.000 2.009 60 K HA -0.112 4.207 4.320 -0.002 0.000 0.210 60 K C 2.027 178.541 176.600 -0.145 0.000 1.049 60 K CA 1.301 57.484 56.287 -0.174 0.000 0.929 60 K CB -0.539 31.883 32.500 -0.129 0.000 0.714 60 K HN 0.451 nan 8.250 nan 0.000 0.440 61 G N 0.867 109.585 108.800 -0.137 0.000 2.498 61 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.219 61 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.219 61 G C 1.320 176.171 174.900 -0.081 0.000 1.119 61 G CA 0.324 45.327 45.100 -0.161 0.000 0.766 61 G HN 0.113 nan 8.290 nan 0.000 0.552 62 L N -0.464 120.729 121.223 -0.049 0.000 2.375 62 L HA 0.173 4.512 4.340 -0.002 0.000 0.215 62 L C 1.500 178.470 176.870 0.167 0.000 1.108 62 L CA 0.537 55.407 54.840 0.051 0.000 0.830 62 L CB 0.102 42.148 42.059 -0.022 0.000 0.959 62 L HN 0.133 nan 8.230 nan 0.000 0.457 63 N N -1.804 116.917 118.700 0.034 0.000 2.143 63 N HA 0.041 4.780 4.740 -0.002 0.000 0.222 63 N C 0.007 175.499 175.510 -0.030 0.000 1.264 63 N CA -0.139 52.930 53.050 0.031 0.000 0.897 63 N CB 0.444 38.904 38.487 -0.046 0.000 1.092 63 N HN 0.073 nan 8.380 nan 0.000 0.516 64 C N 1.568 120.835 119.300 -0.055 0.000 2.550 64 C HA -0.014 4.445 4.460 -0.002 0.000 0.406 64 C C 2.103 177.080 174.990 -0.021 0.000 1.366 64 C CA 0.265 59.247 59.018 -0.059 0.000 1.712 64 C CB 0.047 27.744 27.740 -0.070 0.000 2.613 64 C HN 0.463 nan 8.230 nan 0.000 0.608 65 E N 0.858 121.049 120.200 -0.014 0.000 2.204 65 E HA -0.165 4.184 4.350 -0.002 0.000 0.194 65 E C 2.133 178.728 176.600 -0.007 0.000 0.989 65 E CA 1.794 58.195 56.400 0.002 0.000 0.824 65 E CB 0.022 29.728 29.700 0.009 0.000 0.756 65 E HN 1.004 nan 8.360 nan 0.000 0.477 66 T N -2.028 112.516 114.554 -0.017 0.000 2.915 66 T HA 0.106 4.455 4.350 -0.002 0.000 0.269 66 T C 0.913 175.603 174.700 -0.016 0.000 1.071 66 T CA 0.888 62.976 62.100 -0.019 0.000 1.132 66 T CB 0.310 69.161 68.868 -0.028 0.000 0.878 66 T HN 0.271 nan 8.240 nan 0.000 0.479 67 G N 0.338 109.129 108.800 -0.016 0.000 2.346 67 G HA2 0.215 4.174 3.960 -0.002 0.000 0.294 67 G HA3 0.215 4.174 3.960 -0.002 0.000 0.294 67 G C -1.347 173.552 174.900 -0.002 0.000 1.294 67 G CA -0.681 44.415 45.100 -0.006 0.000 0.962 67 G HN 0.438 nan 8.290 nan 0.000 0.508 68 I N 1.535 122.118 120.570 0.021 0.000 2.421 68 I HA 0.470 4.639 4.170 -0.002 0.000 0.291 68 I C 0.542 176.652 176.117 -0.010 0.000 1.089 68 I CA 0.366 61.687 61.300 0.035 0.000 1.354 68 I CB 0.978 39.035 38.000 0.095 0.000 1.413 68 I HN 0.537 nan 8.210 nan 0.000 0.513 69 T N 3.965 118.482 114.554 -0.061 0.000 2.982 69 T HA 0.454 4.803 4.350 -0.002 0.000 0.321 69 T C 0.613 175.180 174.700 -0.222 0.000 1.229 69 T CA -0.106 61.929 62.100 -0.109 0.000 1.044 69 T CB 1.690 70.497 68.868 -0.102 0.000 1.184 69 T HN 0.592 nan 8.240 nan 0.000 0.477 70 A N 2.059 124.745 122.820 -0.224 0.000 2.067 70 A HA 0.124 4.443 4.320 -0.002 0.000 0.219 70 A C 1.392 178.666 177.584 -0.515 0.000 1.158 70 A CA 1.721 53.538 52.037 -0.367 0.000 0.661 70 A CB -0.522 18.377 19.000 -0.168 0.000 0.801 70 A HN 0.987 nan 8.150 nan 0.000 0.452 71 T N -0.909 113.460 114.554 -0.308 0.000 3.350 71 T HA 0.430 4.779 4.350 -0.002 0.000 0.246 71 T C -2.556 172.024 174.700 -0.200 0.000 1.284 71 T CA -1.784 60.176 62.100 -0.234 0.000 1.329 71 T CB 0.257 69.053 68.868 -0.120 0.000 1.033 71 T HN 0.206 nan 8.240 nan 0.000 0.632 72 P HA 0.019 nan 4.420 nan 0.000 0.269 72 P C 1.228 178.462 177.300 -0.110 0.000 1.205 72 P CA -0.234 62.761 63.100 -0.175 0.000 0.780 72 P CB 0.587 32.171 31.700 -0.194 0.000 0.858 73 C N -1.653 117.598 119.300 -0.081 0.000 2.735 73 C HA 0.427 4.886 4.460 -0.002 0.000 0.271 73 C C 1.890 176.854 174.990 -0.043 0.000 1.281 73 C CA 0.499 59.484 59.018 -0.054 0.000 1.719 73 C CB -1.270 26.444 27.740 -0.043 0.000 2.024 73 C HN 0.749 nan 8.230 nan 0.000 0.566 74 G N 1.089 109.859 108.800 -0.051 0.000 2.175 74 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.265 74 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.265 74 G C 0.799 175.678 174.900 -0.034 0.000 0.979 74 G CA 1.389 46.463 45.100 -0.043 0.000 0.663 74 G HN 1.646 nan 8.290 nan 0.000 0.533 75 V N -2.669 117.227 119.914 -0.030 0.000 3.473 75 V HA 0.303 4.422 4.120 -0.002 0.000 0.253 75 V C 1.956 178.041 176.094 -0.015 0.000 1.340 75 V CA 0.746 63.033 62.300 -0.020 0.000 1.103 75 V CB -0.723 31.090 31.823 -0.016 0.000 0.881 75 V HN 1.331 nan 8.190 nan 0.000 0.451 76 C N 1.163 120.453 119.300 -0.017 0.000 2.727 76 C HA 0.291 4.750 4.460 -0.002 0.000 0.401 76 C C 1.815 176.809 174.990 0.008 0.000 1.294 76 C CA 0.476 59.491 59.018 -0.005 0.000 2.134 76 C CB 0.224 27.959 27.740 -0.008 0.000 2.724 76 C HN 0.595 nan 8.230 nan 0.000 0.677 77 D N 1.579 121.995 120.400 0.027 0.000 2.170 77 D HA -0.153 4.486 4.640 -0.002 0.000 0.193 77 D C 1.743 178.100 176.300 0.094 0.000 1.004 77 D CA 2.079 56.110 54.000 0.052 0.000 0.860 77 D CB -0.318 40.515 40.800 0.056 0.000 0.931 77 D HN 0.732 nan 8.370 nan 0.000 0.448 78 N N -0.473 118.290 118.700 0.104 0.000 2.244 78 N HA -0.086 4.653 4.740 -0.002 0.000 0.183 78 N C 1.836 177.275 175.510 -0.118 0.000 1.016 78 N CA 0.533 53.640 53.050 0.096 0.000 0.866 78 N CB -0.481 38.036 38.487 0.051 0.000 0.980 78 N HN 0.247 nan 8.380 nan 0.000 0.430 79 C N 0.111 119.361 119.300 -0.082 0.000 2.492 79 C HA 0.170 4.629 4.460 -0.002 0.000 0.279 79 C C 2.488 177.438 174.990 -0.066 0.000 1.335 79 C CA 0.003 58.957 59.018 -0.107 0.000 1.734 79 C CB -0.568 27.121 27.740 -0.085 0.000 2.027 79 C HN 0.443 nan 8.230 nan 0.000 0.496 80 R N 0.719 121.202 120.500 -0.028 0.000 2.119 80 R HA -0.063 4.276 4.340 -0.002 0.000 0.222 80 R C 2.024 178.328 176.300 0.007 0.000 1.088 80 R CA 0.897 56.988 56.100 -0.015 0.000 0.984 80 R CB -0.222 30.074 30.300 -0.007 0.000 0.884 80 R HN 0.610 nan 8.270 nan 0.000 0.447 81 E N 0.545 120.772 120.200 0.046 0.000 2.110 81 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 81 E C 1.795 178.456 176.600 0.103 0.000 0.988 81 E CA 1.034 57.505 56.400 0.117 0.000 0.804 81 E CB 0.080 29.946 29.700 0.277 0.000 0.745 81 E HN 0.339 nan 8.360 nan 0.000 0.458 82 I N 0.227 120.794 120.570 -0.004 0.000 2.400 82 I HA -0.160 4.009 4.170 -0.002 0.000 0.248 82 I C 2.502 178.597 176.117 -0.035 0.000 1.109 82 I CA 0.633 61.904 61.300 -0.049 0.000 1.425 82 I CB -0.217 37.648 38.000 -0.226 0.000 1.094 82 I HN 0.098 nan 8.210 nan 0.000 0.425 83 E N 0.907 121.079 120.200 -0.047 0.000 2.097 83 E HA -0.279 4.070 4.350 -0.002 0.000 0.196 83 E C 2.224 178.807 176.600 -0.029 0.000 1.000 83 E CA 1.398 57.773 56.400 -0.043 0.000 0.804 83 E CB 0.160 29.832 29.700 -0.046 0.000 0.740 83 E HN 0.387 nan 8.360 nan 0.000 0.454 84 Q N -1.236 118.556 119.800 -0.013 0.000 1.967 84 Q HA -0.093 4.246 4.340 -0.002 0.000 0.202 84 Q C 1.837 177.837 176.000 -0.001 0.000 0.985 84 Q CA 1.939 57.738 55.803 -0.006 0.000 0.839 84 Q CB 0.033 28.775 28.738 0.008 0.000 0.906 84 Q HN 0.517 nan 8.270 nan 0.000 0.423 85 G N -0.976 107.834 108.800 0.016 0.000 3.465 85 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.219 85 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.219 85 G C 0.241 175.164 174.900 0.038 0.000 0.984 85 G CA -0.489 44.622 45.100 0.018 0.000 0.864 85 G HN 0.131 nan 8.290 nan 0.000 0.485 86 R N 0.429 120.959 120.500 0.050 0.000 2.423 86 R HA 0.536 4.875 4.340 -0.002 0.000 0.293 86 R C -1.601 174.761 176.300 0.103 0.000 1.196 86 R CA -0.564 55.566 56.100 0.050 0.000 1.262 86 R CB 0.373 30.680 30.300 0.013 0.000 1.116 86 R HN 0.136 nan 8.270 nan 0.000 0.566 87 F N 2.657 122.587 119.950 -0.033 0.000 2.427 87 F HA 0.175 4.701 4.527 -0.002 0.000 0.348 87 F C 1.019 176.794 175.800 -0.042 0.000 1.125 87 F CA -0.779 57.201 58.000 -0.033 0.000 0.989 87 F CB 1.250 40.231 39.000 -0.031 0.000 1.165 87 F HN 0.081 nan 8.300 nan 0.000 0.442 88 V N 3.722 123.289 119.914 -0.578 0.000 2.660 88 V HA -0.258 3.861 4.120 -0.002 0.000 0.257 88 V C 0.896 176.782 176.094 -0.346 0.000 1.088 88 V CA 2.085 64.140 62.300 -0.407 0.000 1.106 88 V CB -0.534 31.057 31.823 -0.387 0.000 0.686 88 V HN 0.714 nan 8.190 nan 0.000 0.481 89 D N -0.703 119.415 120.400 -0.470 0.000 2.501 89 D HA 0.230 4.869 4.640 -0.002 0.000 0.224 89 D C -0.114 176.308 176.300 0.204 0.000 1.202 89 D CA -0.128 53.825 54.000 -0.078 0.000 0.829 89 D CB 1.088 41.886 40.800 -0.004 0.000 1.023 89 D HN 0.291 nan 8.370 nan 0.000 0.499 90 L N 1.724 123.135 121.223 0.313 0.000 2.313 90 L HA 0.427 4.766 4.340 -0.002 0.000 0.273 90 L C -0.804 176.064 176.870 -0.003 0.000 1.028 90 L CA -0.509 54.423 54.840 0.155 0.000 0.871 90 L CB 0.475 42.651 42.059 0.195 0.000 1.242 90 L HN -0.144 nan 8.230 nan 0.000 0.434 91 I N 4.203 124.680 120.570 -0.156 0.000 2.269 91 I HA 0.236 4.405 4.170 -0.002 0.000 0.293 91 I C 0.367 176.447 176.117 -0.063 0.000 1.106 91 I CA 0.011 61.206 61.300 -0.174 0.000 1.248 91 I CB 0.511 38.254 38.000 -0.429 0.000 1.444 91 I HN 0.589 nan 8.210 nan 0.000 0.497 92 E N 6.668 126.865 120.200 -0.005 0.000 1.993 92 E HA 0.273 4.622 4.350 -0.002 0.000 0.271 92 E C -0.678 175.949 176.600 0.046 0.000 1.008 92 E CA -0.930 55.489 56.400 0.033 0.000 0.814 92 E CB 0.663 30.379 29.700 0.025 0.000 1.098 92 E HN 0.373 nan 8.360 nan 0.000 0.407 93 I N 4.095 124.713 120.570 0.081 0.000 2.471 93 I HA -0.024 4.145 4.170 -0.002 0.000 0.286 93 I C 0.335 176.485 176.117 0.055 0.000 1.079 93 I CA -0.354 60.992 61.300 0.078 0.000 1.398 93 I CB 0.993 39.065 38.000 0.120 0.000 1.403 93 I HN 0.434 nan 8.210 nan 0.000 0.530 94 D N 6.596 127.015 120.400 0.032 0.000 2.508 94 D HA 0.200 4.839 4.640 -0.002 0.000 0.224 94 D C 1.004 177.302 176.300 -0.004 0.000 1.171 94 D CA -0.138 53.871 54.000 0.015 0.000 1.006 94 D CB 0.620 41.426 40.800 0.010 0.000 1.073 94 D HN 0.611 nan 8.370 nan 0.000 0.513 95 A N 3.008 125.821 122.820 -0.012 0.000 2.225 95 A HA 0.063 4.382 4.320 -0.002 0.000 0.215 95 A C 1.969 179.499 177.584 -0.090 0.000 1.164 95 A CA 1.277 53.286 52.037 -0.046 0.000 0.710 95 A CB -0.120 18.850 19.000 -0.050 0.000 0.780 95 A HN 0.557 nan 8.150 nan 0.000 0.473 96 A N -0.398 122.372 122.820 -0.083 0.000 2.030 96 A HA 0.130 4.449 4.320 -0.002 0.000 0.215 96 A C 2.141 179.695 177.584 -0.050 0.000 1.164 96 A CA 1.377 53.360 52.037 -0.089 0.000 0.697 96 A CB -0.279 18.677 19.000 -0.073 0.000 0.827 96 A HN 0.604 nan 8.150 nan 0.000 0.457 97 S N -0.777 114.903 115.700 -0.033 0.000 2.517 97 S HA 0.238 4.707 4.470 -0.002 0.000 0.214 97 S C 0.746 175.333 174.600 -0.023 0.000 0.991 97 S CA -0.275 57.912 58.200 -0.021 0.000 0.906 97 S CB 0.266 63.459 63.200 -0.010 0.000 0.789 97 S HN 0.375 nan 8.310 nan 0.000 0.513 98 R N 2.171 122.654 120.500 -0.029 0.000 2.547 98 R HA 0.286 4.625 4.340 -0.002 0.000 0.280 98 R C 0.105 176.376 176.300 -0.049 0.000 1.630 98 R CA 0.292 56.376 56.100 -0.026 0.000 1.470 98 R CB 0.749 31.044 30.300 -0.008 0.000 1.178 98 R HN 0.495 nan 8.270 nan 0.000 0.591 99 T N -2.831 111.686 114.554 -0.062 0.000 2.955 99 T HA 0.201 4.550 4.350 -0.002 0.000 0.251 99 T C 0.746 175.390 174.700 -0.093 0.000 1.002 99 T CA -0.063 61.978 62.100 -0.099 0.000 0.970 99 T CB 0.757 69.565 68.868 -0.099 0.000 1.091 99 T HN 0.107 nan 8.240 nan 0.000 0.495 100 K N 0.760 121.123 120.400 -0.062 0.000 2.230 100 K HA 0.366 4.685 4.320 -0.002 0.000 0.253 100 K C 0.978 177.550 176.600 -0.048 0.000 1.008 100 K CA -0.252 56.002 56.287 -0.055 0.000 0.910 100 K CB 0.872 33.346 32.500 -0.044 0.000 0.994 100 K HN -0.160 nan 8.250 nan 0.000 0.495 101 V N 1.337 121.227 119.914 -0.040 0.000 2.407 101 V HA -0.170 3.949 4.120 -0.002 0.000 0.245 101 V C 2.110 178.201 176.094 -0.004 0.000 1.041 101 V CA 1.519 63.812 62.300 -0.012 0.000 1.040 101 V CB -0.434 31.401 31.823 0.020 0.000 0.671 101 V HN 0.796 nan 8.190 nan 0.000 0.455 102 E N 0.215 120.408 120.200 -0.012 0.000 2.149 102 E HA -0.356 3.993 4.350 -0.002 0.000 0.215 102 E C 1.764 178.368 176.600 0.005 0.000 1.055 102 E CA 2.299 58.697 56.400 -0.003 0.000 0.870 102 E CB -0.119 29.575 29.700 -0.010 0.000 0.764 102 E HN 0.637 nan 8.360 nan 0.000 0.463 103 D N -1.203 119.197 120.400 -0.001 0.000 2.218 103 D HA -0.099 4.540 4.640 -0.002 0.000 0.204 103 D C 1.779 178.090 176.300 0.019 0.000 0.976 103 D CA 1.283 55.287 54.000 0.007 0.000 0.853 103 D CB -0.287 40.511 40.800 -0.003 0.000 0.939 103 D HN 0.164 nan 8.370 nan 0.000 0.481 104 T N -0.132 114.428 114.554 0.010 0.000 2.939 104 T HA 0.041 4.390 4.350 -0.002 0.000 0.254 104 T C 1.918 176.638 174.700 0.034 0.000 1.041 104 T CA 0.273 62.384 62.100 0.018 0.000 1.142 104 T CB 0.180 69.041 68.868 -0.012 0.000 0.874 104 T HN 0.024 nan 8.240 nan 0.000 0.452 105 R N 1.142 121.661 120.500 0.031 0.000 2.103 105 R HA -0.119 4.220 4.340 -0.002 0.000 0.242 105 R C 1.979 178.311 176.300 0.052 0.000 1.142 105 R CA 1.740 57.864 56.100 0.040 0.000 0.960 105 R CB -0.207 30.114 30.300 0.036 0.000 0.858 105 R HN 0.302 nan 8.270 nan 0.000 0.439 106 D N 0.167 120.596 120.400 0.048 0.000 2.149 106 D HA -0.123 4.516 4.640 -0.002 0.000 0.201 106 D C 1.706 178.054 176.300 0.081 0.000 0.972 106 D CA 0.583 54.616 54.000 0.056 0.000 0.835 106 D CB -0.181 40.643 40.800 0.039 0.000 0.966 106 D HN 0.037 nan 8.370 nan 0.000 0.476 107 L N 0.501 121.779 121.223 0.092 0.000 2.012 107 L HA -0.110 4.229 4.340 -0.002 0.000 0.210 107 L C 1.814 178.783 176.870 0.164 0.000 1.073 107 L CA 1.621 56.550 54.840 0.149 0.000 0.748 107 L CB -0.462 41.695 42.059 0.164 0.000 0.891 107 L HN 0.042 nan 8.230 nan 0.000 0.431 108 L N -0.714 120.573 121.223 0.107 0.000 2.552 108 L HA -0.068 4.271 4.340 -0.002 0.000 0.227 108 L C 1.582 178.521 176.870 0.116 0.000 1.146 108 L CA 0.258 55.149 54.840 0.085 0.000 0.858 108 L CB -0.719 41.370 42.059 0.049 0.000 0.969 108 L HN 0.264 nan 8.230 nan 0.000 0.451 109 D N 0.028 120.505 120.400 0.128 0.000 2.224 109 D HA -0.111 4.528 4.640 -0.002 0.000 0.205 109 D C 1.580 178.029 176.300 0.249 0.000 0.965 109 D CA 0.842 54.936 54.000 0.157 0.000 0.852 109 D CB -0.007 40.868 40.800 0.125 0.000 0.947 109 D HN 0.136 nan 8.370 nan 0.000 0.494 110 N N -0.149 118.689 118.700 0.231 0.000 2.398 110 N HA -0.031 4.708 4.740 -0.002 0.000 0.188 110 N C 1.402 177.137 175.510 0.376 0.000 1.122 110 N CA -0.038 53.188 53.050 0.293 0.000 0.866 110 N CB 0.472 39.052 38.487 0.155 0.000 0.970 110 N HN -0.008 nan 8.380 nan 0.000 0.462 111 V N 0.086 120.174 119.914 0.291 0.000 2.667 111 V HA -0.168 3.951 4.120 -0.002 0.000 0.252 111 V C 2.189 178.419 176.094 0.227 0.000 1.065 111 V CA 1.525 63.956 62.300 0.218 0.000 1.083 111 V CB 0.013 31.863 31.823 0.045 0.000 0.692 111 V HN 0.205 nan 8.190 nan 0.000 0.468 112 Q N 0.063 120.011 119.800 0.245 0.000 2.049 112 Q HA -0.072 4.267 4.340 -0.002 0.000 0.198 112 Q C 0.354 176.457 176.000 0.171 0.000 0.971 112 Q CA 1.128 57.028 55.803 0.162 0.000 0.833 112 Q CB -0.472 28.253 28.738 -0.023 0.000 0.896 112 Q HN 0.693 nan 8.270 nan 0.000 0.434 113 Y N 0.605 121.020 120.300 0.191 0.000 2.805 113 Y HA 0.152 4.701 4.550 -0.002 0.000 0.337 113 Y C 0.789 176.826 175.900 0.228 0.000 1.252 113 Y CA -0.238 57.952 58.100 0.151 0.000 1.515 113 Y CB 0.085 38.605 38.460 0.099 0.000 1.305 113 Y HN 0.187 nan 8.280 nan 0.000 0.600 114 A N 5.623 128.573 122.820 0.217 0.000 2.386 114 A HA 0.315 4.634 4.320 -0.002 0.000 0.246 114 A C -2.219 175.499 177.584 0.222 0.000 1.089 114 A CA -1.380 50.751 52.037 0.156 0.000 0.790 114 A CB -0.488 18.489 19.000 -0.039 0.000 1.042 114 A HN 0.556 nan 8.150 nan 0.000 0.497 115 P HA 0.319 nan 4.420 nan 0.000 0.281 115 P C -0.278 177.049 177.300 0.045 0.000 1.252 115 P CA 0.118 63.296 63.100 0.131 0.000 0.778 115 P CB 1.422 33.217 31.700 0.158 0.000 0.895 116 A N 3.719 126.534 122.820 -0.009 0.000 2.415 116 A HA 0.166 4.485 4.320 -0.002 0.000 0.248 116 A C 1.546 179.085 177.584 -0.076 0.000 1.299 116 A CA 0.066 52.081 52.037 -0.037 0.000 0.899 116 A CB -0.348 18.625 19.000 -0.045 0.000 0.997 116 A HN 0.466 nan 8.150 nan 0.000 0.506 117 R N -1.827 118.627 120.500 -0.078 0.000 3.578 117 R HA 0.151 4.490 4.340 -0.002 0.000 0.131 117 R C 0.961 177.281 176.300 0.034 0.000 0.722 117 R CA 0.885 56.937 56.100 -0.079 0.000 1.328 117 R CB 0.223 30.362 30.300 -0.269 0.000 1.650 117 R HN 0.413 nan 8.270 nan 0.000 0.485 118 G N -0.174 108.695 108.800 0.114 0.000 2.938 118 G HA2 0.320 4.279 3.960 -0.002 0.000 0.258 118 G HA3 0.320 4.279 3.960 -0.002 0.000 0.258 118 G C 0.319 175.261 174.900 0.069 0.000 1.356 118 G CA -0.445 44.762 45.100 0.179 0.000 1.052 118 G HN 0.049 nan 8.290 nan 0.000 0.550 119 R N -1.393 119.109 120.500 0.004 0.000 2.115 119 R HA 0.082 4.421 4.340 -0.002 0.000 0.230 119 R C -0.336 175.739 176.300 -0.375 0.000 1.111 119 R CA 0.961 56.907 56.100 -0.256 0.000 0.976 119 R CB -0.088 29.977 30.300 -0.391 0.000 0.870 119 R HN 0.243 nan 8.270 nan 0.000 0.445 120 F N 0.184 120.202 119.950 0.114 0.000 2.569 120 F HA 0.337 4.863 4.527 -0.002 0.000 0.312 120 F C -0.266 175.590 175.800 0.094 0.000 1.109 120 F CA -1.429 56.634 58.000 0.104 0.000 0.919 120 F CB 1.844 40.884 39.000 0.067 0.000 1.211 120 F HN -0.356 nan 8.300 nan 0.000 0.446 121 K N 2.634 123.210 120.400 0.293 0.000 2.292 121 K HA 0.480 4.799 4.320 -0.002 0.000 0.290 121 K C -1.136 175.497 176.600 0.055 0.000 1.083 121 K CA -0.158 56.201 56.287 0.120 0.000 0.918 121 K CB 0.498 33.051 32.500 0.088 0.000 1.089 121 K HN 0.424 nan 8.250 nan 0.000 0.473 122 V N 6.128 126.042 119.914 0.000 0.000 2.333 122 V HA 0.153 4.272 4.120 -0.002 0.000 0.274 122 V C -0.751 175.270 176.094 -0.122 0.000 1.028 122 V CA -0.726 61.551 62.300 -0.039 0.000 0.851 122 V CB 0.142 31.959 31.823 -0.010 0.000 1.000 122 V HN 0.538 nan 8.190 nan 0.000 0.456 123 Y N 5.147 125.345 120.300 -0.170 0.000 2.350 123 Y HA 0.463 5.012 4.550 -0.002 0.000 0.340 123 Y C 0.076 176.012 175.900 0.059 0.000 1.006 123 Y CA -0.798 57.265 58.100 -0.062 0.000 1.166 123 Y CB 1.336 39.723 38.460 -0.121 0.000 1.168 123 Y HN 0.478 nan 8.280 nan 0.000 0.502 124 L N 6.424 127.753 121.223 0.176 0.000 2.371 124 L HA 0.470 4.809 4.340 -0.002 0.000 0.262 124 L C -0.888 176.087 176.870 0.175 0.000 1.054 124 L CA -0.585 54.352 54.840 0.163 0.000 0.924 124 L CB -0.422 41.687 42.059 0.084 0.000 1.295 124 L HN 0.467 nan 8.230 nan 0.000 0.441 125 I N 3.218 123.924 120.570 0.226 0.000 2.322 125 I HA 0.229 4.398 4.170 -0.002 0.000 0.292 125 I C -0.086 176.119 176.117 0.146 0.000 1.060 125 I CA -0.198 61.211 61.300 0.183 0.000 1.309 125 I CB 0.797 38.918 38.000 0.202 0.000 1.415 125 I HN 0.439 nan 8.210 nan 0.000 0.492 126 D N 5.638 126.098 120.400 0.100 0.000 2.272 126 D HA 0.151 4.790 4.640 -0.002 0.000 0.247 126 D C 0.134 176.462 176.300 0.046 0.000 0.990 126 D CA -0.184 53.868 54.000 0.086 0.000 0.931 126 D CB 1.281 42.120 40.800 0.067 0.000 1.195 126 D HN 0.323 nan 8.370 nan 0.000 0.477 127 E N 0.688 120.928 120.200 0.066 0.000 2.103 127 E HA -0.160 4.189 4.350 -0.002 0.000 0.186 127 E C 0.826 177.299 176.600 -0.212 0.000 1.392 127 E CA 0.246 56.653 56.400 0.012 0.000 0.691 127 E CB -1.380 28.337 29.700 0.028 0.000 1.068 127 E HN 0.273 nan 8.360 nan 0.000 0.328 128 V N 1.311 121.218 119.914 -0.012 0.000 3.380 128 V HA -0.170 3.949 4.120 -0.002 0.000 0.268 128 V C 2.290 178.424 176.094 0.068 0.000 1.168 128 V CA 1.715 64.027 62.300 0.020 0.000 1.156 128 V CB -0.493 31.424 31.823 0.158 0.000 0.785 128 V HN 0.635 nan 8.190 nan 0.000 0.487 129 H N -1.535 117.641 119.070 0.176 0.000 2.518 129 H HA -0.086 4.469 4.556 -0.002 0.000 0.289 129 H C 1.736 177.172 175.328 0.180 0.000 1.051 129 H CA 1.155 57.334 56.048 0.219 0.000 1.280 129 H CB -0.385 29.458 29.762 0.136 0.000 1.380 129 H HN 0.388 nan 8.280 nan 0.000 0.566 130 M N 1.089 120.510 119.600 -0.299 0.000 2.558 130 M HA 0.176 4.655 4.480 -0.002 0.000 0.255 130 M C 0.925 177.123 176.300 -0.169 0.000 1.113 130 M CA -0.048 55.154 55.300 -0.164 0.000 1.097 130 M CB -0.284 32.172 32.600 -0.238 0.000 1.426 130 M HN 0.145 nan 8.290 nan 0.000 0.488 131 L N 1.115 122.132 121.223 -0.344 0.000 2.483 131 L HA 0.022 4.361 4.340 -0.002 0.000 0.275 131 L C 1.100 177.655 176.870 -0.525 0.000 1.220 131 L CA -0.364 54.147 54.840 -0.549 0.000 0.833 131 L CB 0.345 41.833 42.059 -0.951 0.000 1.102 131 L HN 0.255 nan 8.230 nan 0.000 0.490 132 S N 2.217 117.731 115.700 -0.310 0.000 2.617 132 S HA 0.216 4.685 4.470 -0.002 0.000 0.259 132 S C 1.172 175.768 174.600 -0.006 0.000 1.301 132 S CA -0.787 57.354 58.200 -0.098 0.000 0.984 132 S CB 0.781 63.969 63.200 -0.020 0.000 0.954 132 S HN 0.510 nan 8.310 nan 0.000 0.572 133 R N 0.389 120.984 120.500 0.159 0.000 2.096 133 R HA -0.156 4.183 4.340 -0.002 0.000 0.240 133 R C 2.052 178.441 176.300 0.148 0.000 1.139 133 R CA 2.115 58.339 56.100 0.206 0.000 0.952 133 R CB -1.124 29.261 30.300 0.142 0.000 0.854 133 R HN 0.757 nan 8.270 nan 0.000 0.436 134 H N -0.367 118.717 119.070 0.025 0.000 2.395 134 H HA 0.077 4.632 4.556 -0.002 0.000 0.299 134 H C 2.198 177.516 175.328 -0.016 0.000 1.070 134 H CA 1.417 57.472 56.048 0.011 0.000 1.356 134 H CB 0.094 29.853 29.762 -0.005 0.000 1.401 134 H HN 0.056 nan 8.280 nan 0.000 0.524 135 S N -0.409 115.315 115.700 0.040 0.000 2.423 135 S HA -0.077 4.392 4.470 -0.002 0.000 0.231 135 S C 1.659 176.202 174.600 -0.095 0.000 1.014 135 S CA 0.637 58.791 58.200 -0.076 0.000 0.965 135 S CB -0.187 62.907 63.200 -0.178 0.000 0.785 135 S HN 0.303 nan 8.310 nan 0.000 0.495 136 F N 2.125 122.078 119.950 0.005 0.000 2.074 136 F HA -0.093 4.434 4.527 -0.001 0.000 0.293 136 F C 2.374 178.146 175.800 -0.047 0.000 1.116 136 F CA 0.627 58.611 58.000 -0.027 0.000 1.212 136 F CB -0.444 38.541 39.000 -0.025 0.000 0.998 136 F HN 0.108 nan 8.300 nan 0.000 0.471 137 N N 0.696 119.485 118.700 0.149 0.000 2.096 137 N HA -0.254 4.485 4.740 -0.002 0.000 0.195 137 N C 1.709 177.233 175.510 0.024 0.000 1.017 137 N CA 1.653 54.726 53.050 0.038 0.000 0.870 137 N CB -0.764 37.700 38.487 -0.038 0.000 1.024 137 N HN 0.319 nan 8.380 nan 0.000 0.434 138 A N 0.232 123.071 122.820 0.031 0.000 1.897 138 A HA -0.020 4.299 4.320 -0.002 0.000 0.215 138 A C 2.200 179.781 177.584 -0.005 0.000 1.181 138 A CA 0.853 52.900 52.037 0.016 0.000 0.620 138 A CB -0.640 18.375 19.000 0.025 0.000 0.821 138 A HN 0.248 nan 8.150 nan 0.000 0.443 139 L N -0.500 120.721 121.223 -0.003 0.000 2.017 139 L HA -0.120 4.219 4.340 -0.002 0.000 0.208 139 L C 2.215 179.025 176.870 -0.101 0.000 1.073 139 L CA 2.088 56.888 54.840 -0.066 0.000 0.745 139 L CB -0.772 41.274 42.059 -0.023 0.000 0.894 139 L HN 0.330 nan 8.230 nan 0.000 0.432 140 L N -0.051 121.151 121.223 -0.035 0.000 2.051 140 L HA -0.282 4.057 4.340 -0.002 0.000 0.214 140 L C 2.501 179.338 176.870 -0.055 0.000 1.076 140 L CA 1.984 56.793 54.840 -0.052 0.000 0.758 140 L CB -0.787 41.258 42.059 -0.024 0.000 0.890 140 L HN 0.311 nan 8.230 nan 0.000 0.433 141 K N -1.513 118.866 120.400 -0.036 0.000 2.103 141 K HA -0.139 4.180 4.320 -0.002 0.000 0.207 141 K C 1.789 178.375 176.600 -0.023 0.000 1.048 141 K CA 1.916 58.190 56.287 -0.022 0.000 0.930 141 K CB -0.264 32.231 32.500 -0.008 0.000 0.716 141 K HN 0.433 nan 8.250 nan 0.000 0.444 142 T N 1.138 115.665 114.554 -0.045 0.000 3.023 142 T HA 0.020 4.369 4.350 -0.002 0.000 0.266 142 T C 1.624 176.296 174.700 -0.045 0.000 1.093 142 T CA 0.690 62.773 62.100 -0.030 0.000 1.129 142 T CB 0.073 68.923 68.868 -0.029 0.000 0.899 142 T HN 0.091 nan 8.240 nan 0.000 0.491 143 L N 0.230 121.376 121.223 -0.129 0.000 2.375 143 L HA 0.186 4.524 4.340 -0.002 0.000 0.215 143 L C 2.496 179.396 176.870 0.049 0.000 1.108 143 L CA 0.759 55.562 54.840 -0.063 0.000 0.830 143 L CB -0.211 41.754 42.059 -0.157 0.000 0.959 143 L HN 0.194 nan 8.230 nan 0.000 0.457 144 E N 0.486 120.687 120.200 0.001 0.000 2.152 144 E HA -0.085 4.264 4.350 -0.002 0.000 0.192 144 E C 0.208 176.796 176.600 -0.021 0.000 0.983 144 E CA 0.709 57.108 56.400 -0.003 0.000 0.818 144 E CB 0.345 30.038 29.700 -0.013 0.000 0.758 144 E HN 0.434 nan 8.360 nan 0.000 0.467 145 E N 1.271 121.470 120.200 -0.002 0.000 3.167 145 E HA 0.185 4.534 4.350 -0.002 0.000 0.212 145 E C -2.548 174.077 176.600 0.041 0.000 1.143 145 E CA -1.722 54.679 56.400 0.002 0.000 1.002 145 E CB 1.167 30.873 29.700 0.009 0.000 1.315 145 E HN 0.070 nan 8.360 nan 0.000 0.422 146 P HA 0.136 nan 4.420 nan 0.000 0.271 146 P C -2.373 175.002 177.300 0.124 0.000 1.226 146 P CA -1.144 62.042 63.100 0.144 0.000 0.765 146 P CB -0.034 31.765 31.700 0.164 0.000 0.835 147 P HA 0.021 nan 4.420 nan 0.000 0.270 147 P C 0.952 178.376 177.300 0.207 0.000 1.227 147 P CA 0.081 63.283 63.100 0.170 0.000 0.788 147 P CB 0.645 32.413 31.700 0.113 0.000 0.926 148 E N 0.733 121.127 120.200 0.324 0.000 2.112 148 E HA -0.166 4.183 4.350 -0.002 0.000 0.190 148 E C 1.478 178.344 176.600 0.443 0.000 0.979 148 E CA 1.332 57.923 56.400 0.318 0.000 0.814 148 E CB -0.474 29.369 29.700 0.238 0.000 0.762 148 E HN 0.505 nan 8.360 nan 0.000 0.460 149 H N -1.161 118.050 119.070 0.234 0.000 2.547 149 H HA 0.190 4.745 4.556 -0.002 0.000 0.266 149 H C -0.061 175.514 175.328 0.412 0.000 0.988 149 H CA 0.006 56.232 56.048 0.297 0.000 1.147 149 H CB -0.795 29.050 29.762 0.138 0.000 1.365 149 H HN -0.109 nan 8.280 nan 0.000 0.589 150 V N 2.343 122.270 119.914 0.021 0.000 2.435 150 V HA 0.329 4.448 4.120 -0.002 0.000 0.290 150 V C -0.002 176.053 176.094 -0.065 0.000 1.030 150 V CA -0.882 61.358 62.300 -0.100 0.000 0.881 150 V CB 2.008 33.669 31.823 -0.270 0.000 0.983 150 V HN 0.132 nan 8.190 nan 0.000 0.445 151 K N 3.245 123.546 120.400 -0.164 0.000 2.328 151 K HA 0.656 4.975 4.320 -0.002 0.000 0.246 151 K C -1.457 175.016 176.600 -0.211 0.000 0.955 151 K CA -0.527 55.677 56.287 -0.138 0.000 0.817 151 K CB 2.483 34.845 32.500 -0.229 0.000 1.208 151 K HN 0.450 nan 8.250 nan 0.000 0.432 152 F N 1.919 121.948 119.950 0.132 0.000 2.496 152 F HA 0.384 4.910 4.527 -0.002 0.000 0.341 152 F C -0.054 175.848 175.800 0.171 0.000 1.134 152 F CA -0.678 57.414 58.000 0.153 0.000 0.968 152 F CB 1.066 40.128 39.000 0.103 0.000 1.205 152 F HN 0.047 nan 8.300 nan 0.000 0.436 153 L N 5.597 127.020 121.223 0.332 0.000 2.264 153 L HA 0.445 4.784 4.340 -0.002 0.000 0.287 153 L C -0.598 176.471 176.870 0.332 0.000 1.039 153 L CA -0.413 54.631 54.840 0.339 0.000 0.829 153 L CB 0.892 43.123 42.059 0.288 0.000 1.211 153 L HN 0.482 nan 8.230 nan 0.000 0.427 154 L N 3.592 124.996 121.223 0.301 0.000 2.282 154 L HA 0.702 5.041 4.340 -0.002 0.000 0.288 154 L C 0.154 177.184 176.870 0.267 0.000 1.033 154 L CA -0.306 54.679 54.840 0.241 0.000 0.807 154 L CB 1.749 43.907 42.059 0.164 0.000 1.209 154 L HN 0.675 nan 8.230 nan 0.000 0.423 155 A N 2.485 125.450 122.820 0.242 0.000 2.356 155 A HA 0.777 5.096 4.320 -0.002 0.000 0.310 155 A C -0.552 177.156 177.584 0.206 0.000 1.075 155 A CA -0.456 51.727 52.037 0.244 0.000 0.746 155 A CB 2.075 21.208 19.000 0.222 0.000 1.221 155 A HN 0.576 nan 8.150 nan 0.000 0.443 156 T N 0.215 114.897 114.554 0.214 0.000 2.932 156 T HA 0.541 4.890 4.350 -0.002 0.000 0.318 156 T C 0.675 175.485 174.700 0.184 0.000 1.265 156 T CA 0.453 62.706 62.100 0.255 0.000 1.036 156 T CB 1.450 70.514 68.868 0.325 0.000 1.209 156 T HN 1.515 nan 8.240 nan 0.000 0.484 157 A N 2.050 124.957 122.820 0.146 0.000 2.072 157 A HA 0.245 4.564 4.320 -0.002 0.000 0.216 157 A C 0.813 178.417 177.584 0.033 0.000 1.156 157 A CA 0.814 52.893 52.037 0.070 0.000 0.701 157 A CB -0.116 18.906 19.000 0.036 0.000 0.816 157 A HN 0.683 nan 8.150 nan 0.000 0.458 158 D N -0.893 119.495 120.400 -0.020 0.000 2.434 158 D HA 0.256 4.895 4.640 -0.002 0.000 0.275 158 D C -2.040 174.272 176.300 0.020 0.000 1.172 158 D CA -1.932 52.038 54.000 -0.051 0.000 0.916 158 D CB 1.257 41.938 40.800 -0.197 0.000 1.041 158 D HN 0.074 nan 8.370 nan 0.000 0.501 159 P HA -0.135 nan 4.420 nan 0.000 0.225 159 P C 1.278 178.582 177.300 0.007 0.000 1.156 159 P CA 0.551 63.680 63.100 0.048 0.000 0.787 159 P CB 0.451 32.178 31.700 0.045 0.000 0.802 160 Q N 1.471 121.268 119.800 -0.004 0.000 2.308 160 Q HA -0.165 4.174 4.340 -0.002 0.000 0.209 160 Q C 1.824 177.813 176.000 -0.018 0.000 0.985 160 Q CA 1.789 57.579 55.803 -0.022 0.000 0.881 160 Q CB -0.554 28.172 28.738 -0.022 0.000 0.917 160 Q HN 0.186 nan 8.270 nan 0.000 0.443 161 K N -0.229 120.178 120.400 0.013 0.000 2.361 161 K HA 0.117 4.436 4.320 -0.002 0.000 0.196 161 K C 0.068 176.663 176.600 -0.009 0.000 1.039 161 K CA 0.043 56.357 56.287 0.045 0.000 1.001 161 K CB 0.179 32.758 32.500 0.131 0.000 0.795 161 K HN 0.265 nan 8.250 nan 0.000 0.495 162 L N 3.017 124.185 121.223 -0.092 0.000 2.426 162 L HA 0.157 4.496 4.340 -0.002 0.000 0.271 162 L C -2.158 174.494 176.870 -0.363 0.000 1.169 162 L CA -2.172 52.443 54.840 -0.375 0.000 0.836 162 L CB -0.325 41.563 42.059 -0.285 0.000 1.112 162 L HN -0.199 nan 8.230 nan 0.000 0.465 163 P HA -0.104 nan 4.420 nan 0.000 0.267 163 P C 0.731 177.896 177.300 -0.225 0.000 1.201 163 P CA -0.028 62.888 63.100 -0.307 0.000 0.775 163 P CB 0.706 32.206 31.700 -0.333 0.000 0.854 164 V N 2.277 122.102 119.914 -0.149 0.000 2.594 164 V HA -0.180 3.939 4.120 -0.002 0.000 0.253 164 V C 1.748 177.770 176.094 -0.120 0.000 1.069 164 V CA 2.698 64.926 62.300 -0.119 0.000 1.082 164 V CB -1.460 30.311 31.823 -0.088 0.000 0.680 164 V HN 0.794 nan 8.190 nan 0.000 0.469 165 T N -2.862 111.617 114.554 -0.126 0.000 3.227 165 T HA 0.110 4.459 4.350 -0.002 0.000 0.257 165 T C 1.386 176.013 174.700 -0.122 0.000 1.162 165 T CA 1.248 63.284 62.100 -0.106 0.000 1.051 165 T CB -0.201 68.613 68.868 -0.089 0.000 0.953 165 T HN 0.553 nan 8.240 nan 0.000 0.535 166 I N -0.981 119.491 120.570 -0.163 0.000 4.033 166 I HA 0.223 4.392 4.170 -0.002 0.000 0.296 166 I C 2.000 178.031 176.117 -0.145 0.000 1.210 166 I CA -0.056 61.145 61.300 -0.164 0.000 1.341 166 I CB 0.147 37.999 38.000 -0.247 0.000 1.369 166 I HN 0.152 nan 8.210 nan 0.000 0.453 167 L N 1.302 122.434 121.223 -0.152 0.000 2.187 167 L HA -0.191 4.148 4.340 -0.002 0.000 0.213 167 L C 2.438 179.233 176.870 -0.125 0.000 1.100 167 L CA 1.762 56.521 54.840 -0.135 0.000 0.765 167 L CB -0.540 41.443 42.059 -0.126 0.000 0.904 167 L HN 0.332 nan 8.230 nan 0.000 0.437 168 S N -1.375 114.261 115.700 -0.107 0.000 2.562 168 S HA 0.050 4.519 4.470 -0.002 0.000 0.221 168 S C 1.616 176.174 174.600 -0.070 0.000 0.975 168 S CA -0.015 58.134 58.200 -0.085 0.000 0.918 168 S CB 0.042 63.201 63.200 -0.068 0.000 0.772 168 S HN 0.358 nan 8.310 nan 0.000 0.531 169 R N 0.139 120.590 120.500 -0.081 0.000 2.543 169 R HA 0.363 4.702 4.340 -0.002 0.000 0.323 169 R C -0.769 175.436 176.300 -0.158 0.000 1.002 169 R CA -0.041 56.028 56.100 -0.052 0.000 1.106 169 R CB 0.193 30.488 30.300 -0.009 0.000 1.280 169 R HN 0.371 nan 8.270 nan 0.000 0.549 170 C N 1.208 120.393 119.300 -0.191 0.000 2.547 170 C HA 0.374 4.833 4.460 -0.002 0.000 0.313 170 C C 0.039 174.830 174.990 -0.333 0.000 1.191 170 C CA -1.274 57.586 59.018 -0.263 0.000 1.474 170 C CB 1.392 29.015 27.740 -0.194 0.000 2.081 170 C HN 0.272 nan 8.230 nan 0.000 0.476 171 L N 3.533 124.463 121.223 -0.489 0.000 2.500 171 L HA 0.192 4.531 4.340 -0.002 0.000 0.272 171 L C 0.407 176.875 176.870 -0.670 0.000 1.149 171 L CA 1.077 55.524 54.840 -0.654 0.000 0.897 171 L CB 0.050 41.491 42.059 -1.031 0.000 1.178 171 L HN 0.781 nan 8.230 nan 0.000 0.473 172 Q N 4.461 123.917 119.800 -0.574 0.000 2.314 172 Q HA 0.304 4.643 4.340 -0.002 0.000 0.259 172 Q C -1.569 174.126 176.000 -0.509 0.000 0.951 172 Q CA -0.565 54.975 55.803 -0.438 0.000 0.909 172 Q CB 0.734 29.331 28.738 -0.235 0.000 1.236 172 Q HN 0.560 nan 8.270 nan 0.000 0.444 173 F N 2.869 122.709 119.950 -0.183 0.000 2.385 173 F HA 0.203 4.729 4.527 -0.002 0.000 0.360 173 F C -0.007 175.866 175.800 0.122 0.000 1.122 173 F CA -0.700 57.288 58.000 -0.021 0.000 1.090 173 F CB 0.892 39.882 39.000 -0.016 0.000 1.150 173 F HN 0.593 nan 8.300 nan 0.000 0.472 174 H N 4.547 123.748 119.070 0.219 0.000 2.705 174 H HA 0.402 4.957 4.556 -0.002 0.000 0.291 174 H C -0.470 175.033 175.328 0.291 0.000 1.085 174 H CA -0.451 55.712 56.048 0.192 0.000 1.357 174 H CB 0.430 30.253 29.762 0.103 0.000 1.419 174 H HN 0.500 nan 8.280 nan 0.000 0.462 175 L N 4.540 125.711 121.223 -0.087 0.000 2.461 175 L HA 0.163 4.502 4.340 -0.002 0.000 0.272 175 L C 0.633 177.399 176.870 -0.174 0.000 1.197 175 L CA 0.064 54.871 54.840 -0.056 0.000 0.836 175 L CB 0.564 42.584 42.059 -0.065 0.000 1.105 175 L HN 0.637 nan 8.230 nan 0.000 0.477 176 K N 1.068 121.497 120.400 0.049 0.000 2.090 176 K HA 0.603 4.922 4.320 -0.002 0.000 0.249 176 K C -0.178 176.421 176.600 -0.002 0.000 0.995 176 K CA -0.675 55.636 56.287 0.041 0.000 0.914 176 K CB 1.393 33.966 32.500 0.122 0.000 1.057 176 K HN 0.707 nan 8.250 nan 0.000 0.462 177 A N 1.660 124.484 122.820 0.008 0.000 2.322 177 A HA 0.373 4.692 4.320 -0.002 0.000 0.269 177 A C -0.264 177.324 177.584 0.007 0.000 1.094 177 A CA -0.541 51.497 52.037 0.001 0.000 0.807 177 A CB 0.072 19.078 19.000 0.010 0.000 1.047 177 A HN 0.577 nan 8.150 nan 0.000 0.487 178 L N 1.193 122.414 121.223 -0.003 0.000 2.334 178 L HA 0.285 4.624 4.340 -0.002 0.000 0.277 178 L C 0.119 176.989 176.870 0.000 0.000 1.075 178 L CA -0.765 54.073 54.840 -0.003 0.000 0.804 178 L CB 0.969 43.018 42.059 -0.016 0.000 1.174 178 L HN 0.823 nan 8.230 nan 0.000 0.438 179 D N 1.040 121.441 120.400 0.003 0.000 2.382 179 D HA 0.111 4.749 4.640 -0.002 0.000 0.245 179 D C 1.067 177.368 176.300 0.003 0.000 1.120 179 D CA -0.429 53.574 54.000 0.005 0.000 0.890 179 D CB 1.594 42.398 40.800 0.007 0.000 1.201 179 D HN 0.282 nan 8.370 nan 0.000 0.433 180 V N 2.394 122.310 119.914 0.003 0.000 2.311 180 V HA -0.317 3.802 4.120 -0.002 0.000 0.259 180 V C 2.170 178.267 176.094 0.005 0.000 1.086 180 V CA 2.460 64.761 62.300 0.001 0.000 1.078 180 V CB -1.028 30.796 31.823 0.003 0.000 0.668 180 V HN 0.692 nan 8.190 nan 0.000 0.452 181 E N 0.174 120.381 120.200 0.012 0.000 2.028 181 E HA -0.170 4.179 4.350 -0.002 0.000 0.190 181 E C 2.289 178.912 176.600 0.038 0.000 0.984 181 E CA 1.462 57.878 56.400 0.026 0.000 0.800 181 E CB -0.457 29.261 29.700 0.029 0.000 0.758 181 E HN 0.682 nan 8.360 nan 0.000 0.448 182 Q N 0.040 119.851 119.800 0.019 0.000 2.118 182 Q HA -0.225 4.114 4.340 -0.002 0.000 0.211 182 Q C 2.388 178.395 176.000 0.012 0.000 0.998 182 Q CA 1.917 57.724 55.803 0.008 0.000 0.872 182 Q CB -0.370 28.363 28.738 -0.009 0.000 0.925 182 Q HN 0.420 nan 8.270 nan 0.000 0.414 183 I N -0.012 120.558 120.570 0.001 0.000 2.286 183 I HA -0.222 3.947 4.170 -0.002 0.000 0.245 183 I C 2.719 178.825 176.117 -0.019 0.000 1.104 183 I CA 0.754 62.045 61.300 -0.015 0.000 1.397 183 I CB -0.348 37.639 38.000 -0.020 0.000 1.072 183 I HN 0.199 nan 8.210 nan 0.000 0.417 184 R N 0.229 120.724 120.500 -0.009 0.000 2.083 184 R HA -0.249 4.090 4.340 -0.002 0.000 0.237 184 R C 2.560 178.835 176.300 -0.042 0.000 1.137 184 R CA 1.702 57.782 56.100 -0.032 0.000 0.951 184 R CB -0.504 29.784 30.300 -0.020 0.000 0.851 184 R HN 0.419 nan 8.270 nan 0.000 0.434 185 H N 0.347 119.379 119.070 -0.063 0.000 2.321 185 H HA -0.164 4.391 4.556 -0.002 0.000 0.300 185 H C 1.956 177.241 175.328 -0.071 0.000 1.087 185 H CA 2.245 58.259 56.048 -0.058 0.000 1.319 185 H CB 0.058 29.800 29.762 -0.033 0.000 1.379 185 H HN 0.230 nan 8.280 nan 0.000 0.501 186 Q N 0.611 120.474 119.800 0.105 0.000 2.170 186 Q HA -0.075 4.263 4.340 -0.002 0.000 0.203 186 Q C 2.702 178.617 176.000 -0.141 0.000 0.976 186 Q CA 1.154 56.946 55.803 -0.020 0.000 0.858 186 Q CB -0.330 28.363 28.738 -0.074 0.000 0.907 186 Q HN 0.478 nan 8.270 nan 0.000 0.433 187 L N -0.012 121.126 121.223 -0.142 0.000 1.970 187 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 187 L C 2.496 179.199 176.870 -0.279 0.000 1.071 187 L CA 2.109 56.829 54.840 -0.200 0.000 0.751 187 L CB -0.731 41.228 42.059 -0.165 0.000 0.889 187 L HN 0.427 nan 8.230 nan 0.000 0.432 188 E N -0.662 119.349 120.200 -0.315 0.000 2.065 188 E HA -0.326 4.023 4.350 -0.002 0.000 0.201 188 E C 2.229 178.644 176.600 -0.308 0.000 1.016 188 E CA 1.628 57.773 56.400 -0.424 0.000 0.818 188 E CB -0.135 29.325 29.700 -0.401 0.000 0.749 188 E HN 0.375 nan 8.360 nan 0.000 0.453 189 H N 0.789 119.658 119.070 -0.334 0.000 2.296 189 H HA -0.215 4.340 4.556 -0.002 0.000 0.291 189 H C 2.280 177.361 175.328 -0.410 0.000 1.074 189 H CA 2.396 58.268 56.048 -0.293 0.000 1.176 189 H CB -0.753 28.872 29.762 -0.228 0.000 1.357 189 H HN 0.263 nan 8.280 nan 0.000 0.520 190 I N 0.604 120.976 120.570 -0.330 0.000 2.087 190 I HA -0.364 3.805 4.170 -0.002 0.000 0.240 190 I C 3.116 179.027 176.117 -0.343 0.000 1.054 190 I CA 1.421 62.270 61.300 -0.751 0.000 1.311 190 I CB -0.485 36.927 38.000 -0.981 0.000 1.024 190 I HN 0.255 nan 8.210 nan 0.000 0.402 191 L N 0.254 121.323 121.223 -0.258 0.000 2.043 191 L HA -0.296 4.043 4.340 -0.002 0.000 0.212 191 L C 2.423 179.269 176.870 -0.040 0.000 1.075 191 L CA 1.566 56.333 54.840 -0.121 0.000 0.752 191 L CB -0.776 41.182 42.059 -0.168 0.000 0.891 191 L HN 0.422 nan 8.230 nan 0.000 0.432 192 N N -0.055 118.597 118.700 -0.081 0.000 2.039 192 N HA -0.232 4.507 4.740 -0.002 0.000 0.193 192 N C 1.781 177.159 175.510 -0.220 0.000 1.044 192 N CA 1.350 54.352 53.050 -0.081 0.000 0.847 192 N CB -0.256 38.171 38.487 -0.100 0.000 1.030 192 N HN 0.238 nan 8.380 nan 0.000 0.422 193 E N 1.208 121.312 120.200 -0.160 0.000 2.130 193 E HA -0.139 4.210 4.350 -0.002 0.000 0.196 193 E C 1.292 177.870 176.600 -0.036 0.000 0.998 193 E CA 1.081 57.435 56.400 -0.077 0.000 0.806 193 E CB -0.005 29.840 29.700 0.243 0.000 0.738 193 E HN 0.312 nan 8.360 nan 0.000 0.459 194 E N -0.219 120.040 120.200 0.098 0.000 2.478 194 E HA -0.102 4.247 4.350 -0.002 0.000 0.198 194 E C -0.393 176.316 176.600 0.182 0.000 1.046 194 E CA 0.429 56.942 56.400 0.188 0.000 0.870 194 E CB -0.097 29.735 29.700 0.220 0.000 0.818 194 E HN 0.402 nan 8.360 nan 0.000 0.527 195 H N -0.650 118.481 119.070 0.102 0.000 2.935 195 H HA -0.150 4.405 4.556 -0.002 0.000 0.341 195 H C -0.331 175.036 175.328 0.064 0.000 1.161 195 H CA 0.683 56.773 56.048 0.070 0.000 1.135 195 H CB -1.966 27.829 29.762 0.055 0.000 1.605 195 H HN 0.167 nan 8.280 nan 0.000 0.409 196 I N 0.383 121.036 120.570 0.139 0.000 2.569 196 I HA 0.475 4.644 4.170 -0.002 0.000 0.290 196 I C 0.612 176.801 176.117 0.119 0.000 1.088 196 I CA -0.756 60.615 61.300 0.118 0.000 1.047 196 I CB 2.070 40.133 38.000 0.105 0.000 1.237 196 I HN 0.458 nan 8.210 nan 0.000 0.421 197 A N 4.679 127.534 122.820 0.058 0.000 2.462 197 A HA 0.538 4.857 4.320 -0.002 0.000 0.243 197 A C -0.619 176.984 177.584 0.031 0.000 1.076 197 A CA 0.445 52.469 52.037 -0.023 0.000 0.773 197 A CB -0.209 18.773 19.000 -0.030 0.000 1.010 197 A HN 0.923 nan 8.150 nan 0.000 0.493 198 H N -1.071 117.989 119.070 -0.017 0.000 3.079 198 H HA 0.600 5.155 4.556 -0.002 0.000 0.356 198 H C -1.291 174.022 175.328 -0.026 0.000 1.221 198 H CA -0.825 55.209 56.048 -0.024 0.000 1.185 198 H CB 0.549 30.289 29.762 -0.037 0.000 1.882 198 H HN 0.562 nan 8.280 nan 0.000 0.543 199 E N 3.311 123.568 120.200 0.094 0.000 2.266 199 E HA 0.155 4.504 4.350 -0.002 0.000 0.277 199 E C -1.849 174.818 176.600 0.113 0.000 1.018 199 E CA -2.133 54.300 56.400 0.055 0.000 0.840 199 E CB 1.270 30.985 29.700 0.025 0.000 1.082 199 E HN 0.470 nan 8.360 nan 0.000 0.395 200 P HA -0.248 nan 4.420 nan 0.000 0.217 200 P C 1.205 178.525 177.300 0.034 0.000 1.158 200 P CA 1.471 64.609 63.100 0.065 0.000 0.887 200 P CB 0.181 31.898 31.700 0.029 0.000 0.792 201 R N -1.006 119.509 120.500 0.024 0.000 2.240 201 R HA 0.115 4.454 4.340 -0.002 0.000 0.203 201 R C 2.009 178.314 176.300 0.009 0.000 1.011 201 R CA 0.781 56.888 56.100 0.011 0.000 1.007 201 R CB -0.399 29.906 30.300 0.008 0.000 0.911 201 R HN 0.066 nan 8.270 nan 0.000 0.468 202 A N 1.190 124.020 122.820 0.018 0.000 1.902 202 A HA -0.136 4.183 4.320 -0.002 0.000 0.217 202 A C 2.059 179.639 177.584 -0.006 0.000 1.181 202 A CA 1.073 53.118 52.037 0.012 0.000 0.623 202 A CB -0.438 18.579 19.000 0.029 0.000 0.818 202 A HN 0.292 nan 8.150 nan 0.000 0.443 203 L N -1.113 120.100 121.223 -0.018 0.000 2.093 203 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 203 L C 2.850 179.696 176.870 -0.041 0.000 1.085 203 L CA 1.616 56.423 54.840 -0.056 0.000 0.755 203 L CB -0.645 41.347 42.059 -0.113 0.000 0.904 203 L HN 0.539 nan 8.230 nan 0.000 0.435 204 Q N 0.456 120.241 119.800 -0.024 0.000 2.124 204 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 204 Q C 2.390 178.383 176.000 -0.013 0.000 0.977 204 Q CA 1.296 57.089 55.803 -0.017 0.000 0.850 204 Q CB 0.062 28.795 28.738 -0.008 0.000 0.901 204 Q HN 0.536 nan 8.270 nan 0.000 0.429 205 L N 0.178 121.395 121.223 -0.010 0.000 2.093 205 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 205 L C 2.314 179.177 176.870 -0.012 0.000 1.085 205 L CA 0.653 55.488 54.840 -0.008 0.000 0.755 205 L CB -0.271 41.785 42.059 -0.004 0.000 0.904 205 L HN 0.332 nan 8.230 nan 0.000 0.435 206 L N -0.479 120.733 121.223 -0.018 0.000 1.961 206 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 206 L C 2.896 179.753 176.870 -0.022 0.000 1.072 206 L CA 1.382 56.209 54.840 -0.021 0.000 0.749 206 L CB -0.783 41.257 42.059 -0.032 0.000 0.889 206 L HN 0.226 nan 8.230 nan 0.000 0.432 207 A N 0.014 122.818 122.820 -0.027 0.000 1.927 207 A HA -0.327 3.992 4.320 -0.002 0.000 0.220 207 A C 2.313 179.888 177.584 -0.014 0.000 1.185 207 A CA 2.389 54.412 52.037 -0.023 0.000 0.639 207 A CB -0.634 18.353 19.000 -0.023 0.000 0.820 207 A HN 0.324 nan 8.150 nan 0.000 0.451 208 R N -0.197 120.297 120.500 -0.011 0.000 2.096 208 R HA 0.009 4.348 4.340 -0.002 0.000 0.235 208 R C 2.130 178.427 176.300 -0.005 0.000 1.127 208 R CA 1.786 57.882 56.100 -0.006 0.000 0.968 208 R CB -0.757 29.541 30.300 -0.004 0.000 0.861 208 R HN 0.430 nan 8.270 nan 0.000 0.440 209 A N -0.174 122.642 122.820 -0.007 0.000 2.066 209 A HA 0.103 4.422 4.320 -0.002 0.000 0.218 209 A C 2.199 179.779 177.584 -0.007 0.000 1.157 209 A CA 1.226 53.259 52.037 -0.006 0.000 0.670 209 A CB -0.663 18.333 19.000 -0.007 0.000 0.804 209 A HN 0.424 nan 8.150 nan 0.000 0.453 210 A N -0.771 122.044 122.820 -0.009 0.000 2.070 210 A HA 0.009 4.328 4.320 -0.002 0.000 0.220 210 A C 0.896 178.476 177.584 -0.006 0.000 1.159 210 A CA 1.206 53.237 52.037 -0.009 0.000 0.656 210 A CB -0.463 18.529 19.000 -0.013 0.000 0.800 210 A HN 0.609 nan 8.150 nan 0.000 0.453 211 E N -2.894 117.303 120.200 -0.004 0.000 2.320 211 E HA -0.217 4.132 4.350 -0.002 0.000 0.234 211 E C 0.802 177.402 176.600 -0.000 0.000 1.183 211 E CA 0.434 56.833 56.400 -0.001 0.000 0.713 211 E CB -1.858 27.842 29.700 0.000 0.000 1.226 211 E HN 1.521 nan 8.360 nan 0.000 0.382 212 G N -0.478 108.320 108.800 -0.002 0.000 2.179 212 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.260 212 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.260 212 G C 0.151 175.047 174.900 -0.007 0.000 0.977 212 G CA 0.406 45.504 45.100 -0.002 0.000 0.641 212 G HN 0.649 nan 8.290 nan 0.000 0.533 213 S N -0.245 115.450 115.700 -0.009 0.000 2.433 213 S HA 0.594 5.063 4.470 -0.002 0.000 0.310 213 S C 1.171 175.761 174.600 -0.016 0.000 1.097 213 S CA -0.446 57.746 58.200 -0.012 0.000 1.103 213 S CB 1.122 64.317 63.200 -0.008 0.000 0.992 213 S HN 0.577 nan 8.310 nan 0.000 0.469 214 L N 5.543 126.753 121.223 -0.022 0.000 2.376 214 L HA 0.230 4.569 4.340 -0.002 0.000 0.219 214 L C 2.212 179.071 176.870 -0.019 0.000 1.133 214 L CA 1.466 56.290 54.840 -0.026 0.000 0.816 214 L CB -0.737 41.301 42.059 -0.035 0.000 0.933 214 L HN 0.770 nan 8.230 nan 0.000 0.449 215 R N -0.635 119.858 120.500 -0.012 0.000 2.055 215 R HA -0.099 4.240 4.340 -0.002 0.000 0.226 215 R C 1.699 177.997 176.300 -0.003 0.000 1.135 215 R CA 1.422 57.520 56.100 -0.004 0.000 0.959 215 R CB -0.101 30.200 30.300 0.000 0.000 0.854 215 R HN 0.232 nan 8.270 nan 0.000 0.431 216 D N 0.464 120.861 120.400 -0.005 0.000 2.280 216 D HA -0.183 4.456 4.640 -0.002 0.000 0.206 216 D C 1.456 177.751 176.300 -0.008 0.000 0.988 216 D CA 1.377 55.374 54.000 -0.004 0.000 0.886 216 D CB -0.047 40.750 40.800 -0.005 0.000 0.914 216 D HN 0.417 nan 8.370 nan 0.000 0.473 217 A N 0.131 122.943 122.820 -0.013 0.000 1.840 217 A HA -0.036 4.283 4.320 -0.002 0.000 0.214 217 A C 2.163 179.734 177.584 -0.020 0.000 1.198 217 A CA 0.678 52.703 52.037 -0.021 0.000 0.608 217 A CB -0.712 18.270 19.000 -0.030 0.000 0.839 217 A HN 0.198 nan 8.150 nan 0.000 0.443 218 L N -0.171 121.043 121.223 -0.016 0.000 2.131 218 L HA -0.132 4.207 4.340 -0.002 0.000 0.210 218 L C 2.740 179.614 176.870 0.008 0.000 1.092 218 L CA 1.235 56.072 54.840 -0.006 0.000 0.759 218 L CB -0.440 41.627 42.059 0.014 0.000 0.903 218 L HN 0.309 nan 8.230 nan 0.000 0.435 219 S N 0.106 115.810 115.700 0.007 0.000 2.368 219 S HA -0.079 4.390 4.470 -0.002 0.000 0.224 219 S C 1.986 176.589 174.600 0.005 0.000 1.029 219 S CA 1.012 59.217 58.200 0.009 0.000 0.988 219 S CB -0.194 63.010 63.200 0.007 0.000 0.838 219 S HN 0.293 nan 8.310 nan 0.000 0.462 220 L N 1.047 122.269 121.223 -0.002 0.000 2.131 220 L HA -0.129 4.210 4.340 -0.002 0.000 0.210 220 L C 2.561 179.428 176.870 -0.004 0.000 1.092 220 L CA 1.076 55.914 54.840 -0.004 0.000 0.759 220 L CB -0.838 41.217 42.059 -0.008 0.000 0.903 220 L HN 0.339 nan 8.230 nan 0.000 0.435 221 T N -1.308 113.241 114.554 -0.007 0.000 2.701 221 T HA -0.181 4.168 4.350 -0.002 0.000 0.263 221 T C 1.489 176.193 174.700 0.007 0.000 1.040 221 T CA 1.276 63.371 62.100 -0.008 0.000 1.147 221 T CB -0.210 68.645 68.868 -0.023 0.000 0.865 221 T HN 0.275 nan 8.240 nan 0.000 0.426 222 D N 0.875 121.284 120.400 0.015 0.000 2.133 222 D HA -0.156 4.483 4.640 -0.002 0.000 0.192 222 D C 2.217 178.528 176.300 0.019 0.000 1.001 222 D CA 1.391 55.406 54.000 0.025 0.000 0.844 222 D CB -0.345 40.472 40.800 0.030 0.000 0.944 222 D HN 0.509 nan 8.370 nan 0.000 0.447 223 Q N 0.297 120.106 119.800 0.014 0.000 2.050 223 Q HA -0.165 4.174 4.340 -0.002 0.000 0.202 223 Q C 2.089 178.095 176.000 0.010 0.000 0.980 223 Q CA 1.914 57.724 55.803 0.011 0.000 0.840 223 Q CB -0.156 28.587 28.738 0.007 0.000 0.898 223 Q HN 0.193 nan 8.270 nan 0.000 0.424 224 A N 1.280 124.104 122.820 0.008 0.000 1.869 224 A HA -0.259 4.060 4.320 -0.002 0.000 0.218 224 A C 2.058 179.650 177.584 0.015 0.000 1.203 224 A CA 2.001 54.043 52.037 0.009 0.000 0.638 224 A CB -1.136 17.867 19.000 0.005 0.000 0.831 224 A HN 0.567 nan 8.150 nan 0.000 0.450 225 I N -0.346 120.236 120.570 0.019 0.000 2.381 225 I HA -0.357 3.812 4.170 -0.002 0.000 0.255 225 I C 2.835 178.966 176.117 0.023 0.000 1.140 225 I CA 1.079 62.394 61.300 0.026 0.000 1.404 225 I CB -0.372 37.647 38.000 0.033 0.000 1.075 225 I HN 0.428 nan 8.210 nan 0.000 0.433 226 A N 0.462 123.294 122.820 0.019 0.000 1.840 226 A HA -0.152 4.167 4.320 -0.002 0.000 0.214 226 A C 2.460 180.052 177.584 0.014 0.000 1.198 226 A CA 1.842 53.889 52.037 0.017 0.000 0.608 226 A CB -0.807 18.202 19.000 0.014 0.000 0.839 226 A HN 0.407 nan 8.150 nan 0.000 0.443 227 S N 0.030 115.737 115.700 0.012 0.000 2.440 227 S HA -0.048 4.421 4.470 -0.002 0.000 0.238 227 S C 1.712 176.318 174.600 0.011 0.000 1.010 227 S CA 0.992 59.197 58.200 0.010 0.000 0.972 227 S CB -0.468 62.737 63.200 0.008 0.000 0.774 227 S HN 0.752 nan 8.310 nan 0.000 0.501 228 G N 0.590 109.398 108.800 0.013 0.000 3.042 228 G HA2 0.100 4.059 3.960 -0.002 0.000 0.212 228 G HA3 0.100 4.059 3.960 -0.002 0.000 0.212 228 G C 0.078 174.987 174.900 0.015 0.000 1.166 228 G CA 0.045 45.154 45.100 0.014 0.000 0.767 228 G HN 0.363 nan 8.290 nan 0.000 0.546 229 D N -0.616 119.793 120.400 0.015 0.000 2.689 229 D HA -0.146 4.493 4.640 -0.002 0.000 0.237 229 D C 1.526 177.837 176.300 0.019 0.000 1.148 229 D CA 1.632 55.641 54.000 0.015 0.000 0.656 229 D CB -1.350 39.457 40.800 0.012 0.000 1.050 229 D HN 0.980 nan 8.370 nan 0.000 0.426 230 G N -0.553 108.262 108.800 0.024 0.000 2.213 230 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.226 230 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.226 230 G C 0.189 175.109 174.900 0.034 0.000 0.992 230 G CA 0.369 45.488 45.100 0.031 0.000 0.632 230 G HN 0.537 nan 8.290 nan 0.000 0.511 231 Q N -0.138 119.679 119.800 0.028 0.000 2.309 231 Q HA 0.597 4.936 4.340 -0.002 0.000 0.264 231 Q C -0.599 175.421 176.000 0.034 0.000 1.008 231 Q CA -0.723 55.098 55.803 0.029 0.000 0.853 231 Q CB 2.806 31.555 28.738 0.017 0.000 1.314 231 Q HN 0.128 nan 8.270 nan 0.000 0.448 232 V N 3.000 122.943 119.914 0.049 0.000 2.270 232 V HA 0.171 4.290 4.120 -0.002 0.000 0.263 232 V C -0.186 175.937 176.094 0.048 0.000 1.066 232 V CA -0.240 62.090 62.300 0.050 0.000 0.857 232 V CB 0.392 32.255 31.823 0.067 0.000 1.099 232 V HN 0.760 nan 8.190 nan 0.000 0.476 233 S N 2.217 117.934 115.700 0.028 0.000 2.593 233 S HA 0.388 4.857 4.470 -0.002 0.000 0.297 233 S C 1.096 175.706 174.600 0.017 0.000 1.112 233 S CA -0.468 57.745 58.200 0.021 0.000 1.043 233 S CB 1.703 64.910 63.200 0.012 0.000 1.054 233 S HN 0.482 nan 8.310 nan 0.000 0.516 234 T N 2.069 116.632 114.554 0.015 0.000 2.708 234 T HA -0.172 4.177 4.350 -0.002 0.000 0.266 234 T C 1.855 176.559 174.700 0.007 0.000 1.037 234 T CA 2.038 64.144 62.100 0.010 0.000 1.146 234 T CB -0.596 68.277 68.868 0.009 0.000 0.865 234 T HN 0.779 nan 8.240 nan 0.000 0.435 235 Q N 1.044 120.847 119.800 0.006 0.000 2.197 235 Q HA -0.195 4.144 4.340 -0.002 0.000 0.211 235 Q C 2.475 178.478 176.000 0.005 0.000 0.993 235 Q CA 1.815 57.621 55.803 0.005 0.000 0.883 235 Q CB -0.386 28.355 28.738 0.004 0.000 0.916 235 Q HN 0.594 nan 8.270 nan 0.000 0.418 236 A N 0.110 122.934 122.820 0.007 0.000 1.887 236 A HA 0.033 4.352 4.320 -0.002 0.000 0.210 236 A C 2.336 179.924 177.584 0.007 0.000 1.221 236 A CA 0.508 52.549 52.037 0.007 0.000 0.635 236 A CB -0.443 18.564 19.000 0.010 0.000 0.881 236 A HN 0.158 nan 8.150 nan 0.000 0.456 237 V N 1.136 121.055 119.914 0.007 0.000 2.295 237 V HA -0.256 3.863 4.120 -0.002 0.000 0.246 237 V C 3.063 179.158 176.094 0.003 0.000 1.049 237 V CA 2.523 64.825 62.300 0.005 0.000 1.024 237 V CB -0.883 30.942 31.823 0.004 0.000 0.648 237 V HN 0.801 nan 8.190 nan 0.000 0.447 238 S N 0.991 116.693 115.700 0.003 0.000 2.374 238 S HA -0.272 4.197 4.470 -0.002 0.000 0.227 238 S C 2.087 176.688 174.600 0.002 0.000 1.037 238 S CA 1.926 60.127 58.200 0.002 0.000 1.024 238 S CB -0.606 62.596 63.200 0.003 0.000 0.861 238 S HN 0.631 nan 8.310 nan 0.000 0.456 239 A N 2.520 125.341 122.820 0.002 0.000 1.842 239 A HA -0.121 4.198 4.320 -0.002 0.000 0.217 239 A C 2.461 180.046 177.584 0.001 0.000 1.206 239 A CA 2.133 54.171 52.037 0.002 0.000 0.630 239 A CB -1.167 17.834 19.000 0.003 0.000 0.839 239 A HN 0.681 nan 8.150 nan 0.000 0.447 240 M N -0.719 118.882 119.600 0.001 0.000 2.202 240 M HA -0.112 4.367 4.480 -0.002 0.000 0.262 240 M C 1.822 178.121 176.300 -0.002 0.000 1.063 240 M CA 1.623 56.923 55.300 0.000 0.000 1.097 240 M CB -0.286 32.314 32.600 0.001 0.000 1.382 240 M HN 0.446 nan 8.290 nan 0.000 0.413 241 L N -0.868 120.354 121.223 -0.002 0.000 2.313 241 L HA -0.022 4.317 4.340 -0.002 0.000 0.214 241 L C 2.465 179.333 176.870 -0.004 0.000 1.119 241 L CA 0.804 55.642 54.840 -0.003 0.000 0.809 241 L CB -0.793 41.264 42.059 -0.003 0.000 0.933 241 L HN 0.433 nan 8.230 nan 0.000 0.449 242 G N -0.991 107.807 108.800 -0.003 0.000 2.430 242 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.216 242 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.216 242 G C 1.533 176.430 174.900 -0.005 0.000 1.146 242 G CA 0.880 45.978 45.100 -0.003 0.000 0.793 242 G HN 0.209 nan 8.290 nan 0.000 0.537 243 T N 1.170 115.720 114.554 -0.005 0.000 2.685 243 T HA -0.106 4.243 4.350 -0.002 0.000 0.268 243 T C 1.817 176.510 174.700 -0.012 0.000 1.034 243 T CA 0.963 63.058 62.100 -0.008 0.000 1.149 243 T CB -0.149 68.715 68.868 -0.006 0.000 0.860 243 T HN 0.171 nan 8.240 nan 0.000 0.449 244 L N 0.546 121.762 121.223 -0.011 0.000 2.818 244 L HA 0.293 4.632 4.340 -0.002 0.000 0.243 244 L C -0.150 176.711 176.870 -0.015 0.000 1.185 244 L CA -0.358 54.474 54.840 -0.014 0.000 0.988 244 L CB 0.302 42.355 42.059 -0.010 0.000 1.292 244 L HN -0.060 nan 8.230 nan 0.000 0.519 245 D N 0.936 121.327 120.400 -0.015 0.000 2.382 245 D HA -0.021 4.618 4.640 -0.002 0.000 0.259 245 D C 0.791 177.079 176.300 -0.020 0.000 1.224 245 D CA 0.285 54.276 54.000 -0.014 0.000 0.894 245 D CB 1.291 42.085 40.800 -0.010 0.000 1.127 245 D HN 0.057 nan 8.370 nan 0.000 0.487 246 D N 1.859 122.248 120.400 -0.017 0.000 2.149 246 D HA -0.145 4.494 4.640 -0.002 0.000 0.201 246 D C 1.357 177.647 176.300 -0.016 0.000 0.972 246 D CA 0.503 54.491 54.000 -0.020 0.000 0.835 246 D CB 0.154 40.946 40.800 -0.014 0.000 0.966 246 D HN 0.421 nan 8.370 nan 0.000 0.476 247 D N 0.838 121.233 120.400 -0.010 0.000 3.048 247 D HA -0.266 4.373 4.640 -0.002 0.000 0.192 247 D C 1.814 178.113 176.300 -0.002 0.000 1.125 247 D CA 1.578 55.576 54.000 -0.004 0.000 0.878 247 D CB -0.257 40.542 40.800 -0.003 0.000 0.924 247 D HN 0.106 nan 8.370 nan 0.000 0.496 248 Q N -0.326 119.472 119.800 -0.004 0.000 2.274 248 Q HA -0.259 4.080 4.340 -0.002 0.000 0.217 248 Q C 2.007 178.016 176.000 0.014 0.000 1.008 248 Q CA 2.540 58.347 55.803 0.006 0.000 0.925 248 Q CB -0.544 28.195 28.738 0.002 0.000 0.957 248 Q HN 0.484 nan 8.270 nan 0.000 0.416 249 A N -0.512 122.314 122.820 0.009 0.000 1.878 249 A HA -0.029 4.290 4.320 -0.002 0.000 0.213 249 A C 1.930 179.520 177.584 0.011 0.000 1.192 249 A CA 0.958 53.004 52.037 0.015 0.000 0.619 249 A CB -0.625 18.383 19.000 0.013 0.000 0.837 249 A HN 0.356 nan 8.150 nan 0.000 0.446 250 L N -0.099 121.131 121.223 0.010 0.000 2.079 250 L HA -0.116 4.223 4.340 -0.002 0.000 0.210 250 L C 2.405 179.278 176.870 0.005 0.000 1.081 250 L CA 2.598 57.445 54.840 0.011 0.000 0.752 250 L CB -0.781 41.285 42.059 0.013 0.000 0.896 250 L HN 0.281 nan 8.230 nan 0.000 0.433 251 S N -1.002 114.700 115.700 0.004 0.000 2.382 251 S HA -0.092 4.377 4.470 -0.002 0.000 0.228 251 S C 1.945 176.541 174.600 -0.007 0.000 1.027 251 S CA 1.360 59.560 58.200 0.001 0.000 0.991 251 S CB -0.332 62.870 63.200 0.003 0.000 0.823 251 S HN 0.514 nan 8.310 nan 0.000 0.469 252 L N 0.671 121.891 121.223 -0.005 0.000 2.156 252 L HA -0.044 4.295 4.340 -0.002 0.000 0.208 252 L C 2.233 179.075 176.870 -0.047 0.000 1.095 252 L CA 0.584 55.414 54.840 -0.018 0.000 0.770 252 L CB -0.383 41.676 42.059 -0.000 0.000 0.914 252 L HN 0.216 nan 8.230 nan 0.000 0.439 253 V N 0.039 119.930 119.914 -0.038 0.000 2.237 253 V HA -0.311 3.808 4.120 -0.002 0.000 0.245 253 V C 2.318 178.375 176.094 -0.061 0.000 1.046 253 V CA 1.943 64.209 62.300 -0.058 0.000 1.007 253 V CB -0.479 31.336 31.823 -0.014 0.000 0.638 253 V HN 0.462 nan 8.190 nan 0.000 0.445 254 E N 0.419 120.604 120.200 -0.025 0.000 2.048 254 E HA -0.295 4.054 4.350 -0.002 0.000 0.202 254 E C 2.175 178.757 176.600 -0.031 0.000 1.021 254 E CA 1.681 58.072 56.400 -0.015 0.000 0.825 254 E CB -0.428 29.270 29.700 -0.002 0.000 0.756 254 E HN 0.593 nan 8.360 nan 0.000 0.454 255 A N 0.602 123.398 122.820 -0.040 0.000 2.172 255 A HA -0.097 4.222 4.320 -0.002 0.000 0.216 255 A C 1.967 179.496 177.584 -0.091 0.000 1.154 255 A CA 0.935 52.942 52.037 -0.051 0.000 0.701 255 A CB -0.367 18.611 19.000 -0.037 0.000 0.789 255 A HN 0.266 nan 8.150 nan 0.000 0.465 256 M N -0.974 118.551 119.600 -0.125 0.000 2.191 256 M HA -0.033 4.446 4.480 -0.002 0.000 0.262 256 M C 1.832 177.991 176.300 -0.234 0.000 1.083 256 M CA 1.483 56.659 55.300 -0.206 0.000 1.154 256 M CB -0.075 32.360 32.600 -0.275 0.000 1.344 256 M HN 0.149 nan 8.290 nan 0.000 0.431 257 V N 1.380 121.194 119.914 -0.166 0.000 2.392 257 V HA -0.270 3.849 4.120 -0.002 0.000 0.249 257 V C 1.685 177.856 176.094 0.129 0.000 1.059 257 V CA 2.068 64.408 62.300 0.067 0.000 1.051 257 V CB -0.802 31.082 31.823 0.102 0.000 0.658 257 V HN 0.547 nan 8.190 nan 0.000 0.455 258 E N -0.411 119.793 120.200 0.006 0.000 2.511 258 E HA 0.227 4.576 4.350 -0.002 0.000 0.196 258 E C 1.440 177.994 176.600 -0.076 0.000 1.066 258 E CA 0.571 56.972 56.400 0.001 0.000 0.871 258 E CB -0.096 29.602 29.700 -0.003 0.000 0.863 258 E HN 0.560 nan 8.360 nan 0.000 0.520 259 A N 1.241 123.921 122.820 -0.232 0.000 3.153 259 A HA -0.269 4.050 4.320 -0.002 0.000 0.265 259 A C 0.500 177.988 177.584 -0.160 0.000 1.212 259 A CA 0.945 52.786 52.037 -0.327 0.000 1.018 259 A CB -2.318 16.498 19.000 -0.308 0.000 1.130 259 A HN 0.358 nan 8.150 nan 0.000 0.873 260 N N 0.553 119.189 118.700 -0.106 0.000 2.498 260 N HA 0.398 5.137 4.740 -0.002 0.000 0.277 260 N C 1.392 176.865 175.510 -0.062 0.000 1.208 260 N CA 1.143 54.154 53.050 -0.065 0.000 1.029 260 N CB 0.084 38.546 38.487 -0.043 0.000 1.403 260 N HN 0.486 nan 8.380 nan 0.000 0.500 261 G N 1.700 110.464 108.800 -0.060 0.000 2.443 261 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.219 261 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.219 261 G C 1.304 176.185 174.900 -0.032 0.000 1.131 261 G CA 0.653 45.724 45.100 -0.049 0.000 0.775 261 G HN 0.624 nan 8.290 nan 0.000 0.547 262 E N 0.584 120.768 120.200 -0.026 0.000 2.072 262 E HA -0.071 4.278 4.350 -0.002 0.000 0.190 262 E C 2.357 178.949 176.600 -0.014 0.000 0.982 262 E CA 0.954 57.344 56.400 -0.017 0.000 0.803 262 E CB -0.311 29.381 29.700 -0.013 0.000 0.755 262 E HN 0.380 nan 8.360 nan 0.000 0.453 263 R N -0.103 120.387 120.500 -0.017 0.000 2.115 263 R HA -0.058 4.281 4.340 -0.002 0.000 0.230 263 R C 2.023 178.314 176.300 -0.014 0.000 1.111 263 R CA 1.224 57.316 56.100 -0.013 0.000 0.976 263 R CB -0.105 30.185 30.300 -0.016 0.000 0.870 263 R HN 0.181 nan 8.270 nan 0.000 0.445 264 V N 0.566 120.465 119.914 -0.025 0.000 2.379 264 V HA -0.193 3.926 4.120 -0.002 0.000 0.245 264 V C 2.173 178.261 176.094 -0.010 0.000 1.044 264 V CA 1.432 63.717 62.300 -0.025 0.000 1.036 264 V CB -0.157 31.639 31.823 -0.045 0.000 0.664 264 V HN 0.372 nan 8.190 nan 0.000 0.453 265 M N -0.745 118.848 119.600 -0.012 0.000 2.541 265 M HA 0.138 4.617 4.480 -0.002 0.000 0.252 265 M C 2.109 178.415 176.300 0.011 0.000 1.125 265 M CA 1.200 56.496 55.300 -0.006 0.000 1.091 265 M CB -0.767 31.823 32.600 -0.016 0.000 1.420 265 M HN 0.392 nan 8.290 nan 0.000 0.486 266 A N 0.211 123.038 122.820 0.011 0.000 1.975 266 A HA 0.060 4.379 4.320 -0.002 0.000 0.215 266 A C 2.174 179.777 177.584 0.032 0.000 1.170 266 A CA 0.561 52.610 52.037 0.020 0.000 0.656 266 A CB -0.422 18.584 19.000 0.011 0.000 0.821 266 A HN 0.392 nan 8.150 nan 0.000 0.449 267 L N -0.403 120.838 121.223 0.031 0.000 2.093 267 L HA -0.110 4.229 4.340 -0.002 0.000 0.208 267 L C 2.347 179.267 176.870 0.084 0.000 1.085 267 L CA 1.057 55.923 54.840 0.043 0.000 0.755 267 L CB -0.399 41.678 42.059 0.029 0.000 0.904 267 L HN 0.372 nan 8.230 nan 0.000 0.435 268 I N -0.105 120.523 120.570 0.097 0.000 2.361 268 I HA -0.308 3.861 4.170 -0.002 0.000 0.251 268 I C 2.303 178.563 176.117 0.239 0.000 1.133 268 I CA 0.998 62.406 61.300 0.180 0.000 1.413 268 I CB -0.301 37.742 38.000 0.071 0.000 1.073 268 I HN 0.387 nan 8.210 nan 0.000 0.424 269 N N 0.750 119.531 118.700 0.134 0.000 2.207 269 N HA -0.188 4.551 4.740 -0.002 0.000 0.182 269 N C 1.771 177.341 175.510 0.100 0.000 1.020 269 N CA 1.103 54.225 53.050 0.121 0.000 0.858 269 N CB 0.046 38.574 38.487 0.067 0.000 0.991 269 N HN 0.344 nan 8.380 nan 0.000 0.427 270 E N 0.488 120.729 120.200 0.069 0.000 2.097 270 E HA -0.169 4.180 4.350 -0.002 0.000 0.196 270 E C 1.749 178.363 176.600 0.023 0.000 1.000 270 E CA 1.418 57.841 56.400 0.038 0.000 0.804 270 E CB -0.098 29.617 29.700 0.026 0.000 0.740 270 E HN 0.367 nan 8.360 nan 0.000 0.454 271 A N 0.763 123.612 122.820 0.049 0.000 1.933 271 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 271 A C 2.347 179.844 177.584 -0.145 0.000 1.175 271 A CA 1.803 53.815 52.037 -0.042 0.000 0.628 271 A CB -0.717 18.294 19.000 0.019 0.000 0.814 271 A HN 0.424 nan 8.150 nan 0.000 0.444 272 A N -0.304 122.529 122.820 0.021 0.000 1.929 272 A HA 0.261 4.580 4.320 -0.002 0.000 0.216 272 A C 2.461 180.029 177.584 -0.027 0.000 1.176 272 A CA 1.781 53.833 52.037 0.024 0.000 0.628 272 A CB -0.893 18.263 19.000 0.260 0.000 0.816 272 A HN 0.929 nan 8.150 nan 0.000 0.444 273 A N -0.052 122.764 122.820 -0.006 0.000 1.835 273 A HA -0.180 4.139 4.320 -0.002 0.000 0.215 273 A C 2.216 179.771 177.584 -0.048 0.000 1.199 273 A CA 1.680 53.708 52.037 -0.016 0.000 0.615 273 A CB -0.666 18.333 19.000 -0.003 0.000 0.838 273 A HN 0.484 nan 8.150 nan 0.000 0.444 274 R N -0.506 119.958 120.500 -0.061 0.000 2.226 274 R HA -0.133 4.206 4.340 -0.002 0.000 0.246 274 R C 1.080 177.315 176.300 -0.109 0.000 1.161 274 R CA 1.197 57.252 56.100 -0.076 0.000 0.997 274 R CB -0.601 29.652 30.300 -0.079 0.000 0.870 274 R HN 1.096 nan 8.270 nan 0.000 0.465 275 G N 0.397 109.108 108.800 -0.148 0.000 2.203 275 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.231 275 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.231 275 G C 0.130 174.869 174.900 -0.267 0.000 1.058 275 G CA 0.006 45.002 45.100 -0.174 0.000 0.781 275 G HN 0.267 nan 8.290 nan 0.000 0.496 276 I N 0.060 120.375 120.570 -0.425 0.000 2.993 276 I HA 0.095 4.264 4.170 -0.002 0.000 0.286 276 I C 1.029 176.807 176.117 -0.564 0.000 1.215 276 I CA 0.383 61.382 61.300 -0.502 0.000 1.393 276 I CB 0.798 38.415 38.000 -0.638 0.000 1.371 276 I HN 0.342 nan 8.210 nan 0.000 0.602 277 E N 3.726 123.707 120.200 -0.365 0.000 2.115 277 E HA 0.061 4.410 4.350 -0.002 0.000 0.282 277 E C -0.096 176.392 176.600 -0.186 0.000 0.987 277 E CA -0.404 55.846 56.400 -0.251 0.000 0.797 277 E CB 0.709 30.338 29.700 -0.119 0.000 1.086 277 E HN 0.436 nan 8.360 nan 0.000 0.397 278 W N 3.022 124.310 121.300 -0.020 0.000 2.381 278 W HA -0.113 4.546 4.660 -0.002 0.000 0.301 278 W C 2.066 178.570 176.519 -0.025 0.000 1.205 278 W CA 0.761 58.093 57.345 -0.021 0.000 1.285 278 W CB 0.129 29.577 29.460 -0.021 0.000 1.133 278 W HN 0.681 nan 8.180 nan 0.000 0.521 279 E N 0.606 120.916 120.200 0.183 0.000 2.331 279 E HA -0.199 4.150 4.350 -0.002 0.000 0.199 279 E C 2.077 178.711 176.600 0.058 0.000 1.008 279 E CA 1.233 57.690 56.400 0.095 0.000 0.843 279 E CB -0.107 29.622 29.700 0.049 0.000 0.761 279 E HN 0.220 nan 8.360 nan 0.000 0.507 280 A N 0.562 123.407 122.820 0.041 0.000 1.898 280 A HA -0.063 4.256 4.320 -0.002 0.000 0.214 280 A C 2.020 179.612 177.584 0.013 0.000 1.183 280 A CA 0.739 52.780 52.037 0.006 0.000 0.622 280 A CB -0.524 18.458 19.000 -0.030 0.000 0.824 280 A HN 0.359 nan 8.150 nan 0.000 0.444 281 L N 0.178 121.421 121.223 0.034 0.000 1.971 281 L HA -0.193 4.146 4.340 -0.002 0.000 0.215 281 L C 2.358 179.264 176.870 0.059 0.000 1.072 281 L CA 1.846 56.721 54.840 0.057 0.000 0.758 281 L CB -0.613 41.533 42.059 0.145 0.000 0.889 281 L HN 0.428 nan 8.230 nan 0.000 0.433 282 L N -1.439 119.830 121.223 0.078 0.000 2.034 282 L HA -0.324 4.015 4.340 -0.002 0.000 0.217 282 L C 2.390 179.258 176.870 -0.003 0.000 1.077 282 L CA 1.807 56.667 54.840 0.033 0.000 0.769 282 L CB -0.615 41.462 42.059 0.030 0.000 0.890 282 L HN 0.205 nan 8.230 nan 0.000 0.435 283 V N -0.805 119.110 119.914 0.001 0.000 2.667 283 V HA -0.232 3.887 4.120 -0.002 0.000 0.252 283 V C 2.347 178.436 176.094 -0.007 0.000 1.065 283 V CA 1.508 63.801 62.300 -0.013 0.000 1.083 283 V CB -0.348 31.470 31.823 -0.008 0.000 0.692 283 V HN 0.467 nan 8.190 nan 0.000 0.468 284 E N -0.351 119.850 120.200 0.002 0.000 2.150 284 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 284 E C 2.245 178.854 176.600 0.015 0.000 0.985 284 E CA 1.058 57.462 56.400 0.008 0.000 0.814 284 E CB 0.007 29.710 29.700 0.005 0.000 0.752 284 E HN 0.537 nan 8.360 nan 0.000 0.466 285 M N 0.151 119.754 119.600 0.006 0.000 2.081 285 M HA -0.131 4.348 4.480 -0.002 0.000 0.261 285 M C 2.451 178.749 176.300 -0.003 0.000 1.075 285 M CA 1.078 56.380 55.300 0.003 0.000 1.133 285 M CB -0.431 32.164 32.600 -0.007 0.000 1.330 285 M HN 0.170 nan 8.290 nan 0.000 0.414 286 L N 0.001 121.182 121.223 -0.071 0.000 2.103 286 L HA -0.232 4.107 4.340 -0.002 0.000 0.215 286 L C 2.522 179.435 176.870 0.072 0.000 1.080 286 L CA 1.514 56.257 54.840 -0.162 0.000 0.764 286 L CB -1.195 40.709 42.059 -0.259 0.000 0.890 286 L HN 0.477 nan 8.230 nan 0.000 0.435 287 G N -0.779 108.061 108.800 0.067 0.000 2.426 287 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.214 287 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.214 287 G C 1.579 176.563 174.900 0.141 0.000 1.156 287 G CA 0.059 45.221 45.100 0.103 0.000 0.802 287 G HN 0.165 nan 8.290 nan 0.000 0.534 288 L N 0.159 121.444 121.223 0.105 0.000 1.994 288 L HA -0.039 4.300 4.340 -0.002 0.000 0.208 288 L C 2.947 179.908 176.870 0.152 0.000 1.071 288 L CA 0.853 55.757 54.840 0.106 0.000 0.745 288 L CB -0.742 41.357 42.059 0.067 0.000 0.892 288 L HN 0.189 nan 8.230 nan 0.000 0.431 289 L N -0.736 120.598 121.223 0.184 0.000 2.013 289 L HA -0.321 4.018 4.340 -0.002 0.000 0.212 289 L C 2.667 179.699 176.870 0.271 0.000 1.073 289 L CA 1.792 56.781 54.840 0.249 0.000 0.753 289 L CB -0.874 41.391 42.059 0.343 0.000 0.890 289 L HN 0.364 nan 8.230 nan 0.000 0.432 290 H N 0.026 119.252 119.070 0.261 0.000 2.265 290 H HA -0.252 4.303 4.556 -0.002 0.000 0.295 290 H C 2.403 177.778 175.328 0.079 0.000 1.084 290 H CA 2.096 58.235 56.048 0.152 0.000 1.261 290 H CB 0.063 29.935 29.762 0.183 0.000 1.360 290 H HN -0.027 nan 8.280 nan 0.000 0.487 291 R N 0.690 121.350 120.500 0.267 0.000 2.117 291 R HA -0.105 4.234 4.340 -0.002 0.000 0.243 291 R C 2.258 178.599 176.300 0.070 0.000 1.143 291 R CA 1.848 58.049 56.100 0.167 0.000 0.968 291 R CB -0.835 29.546 30.300 0.136 0.000 0.863 291 R HN 0.579 nan 8.270 nan 0.000 0.444 292 I N -0.229 120.381 120.570 0.067 0.000 2.233 292 I HA -0.144 4.024 4.170 -0.002 0.000 0.243 292 I C 2.220 178.338 176.117 0.003 0.000 1.093 292 I CA 1.228 62.553 61.300 0.042 0.000 1.380 292 I CB -0.477 37.563 38.000 0.066 0.000 1.067 292 I HN 0.200 nan 8.210 nan 0.000 0.413 293 A N 0.669 123.473 122.820 -0.027 0.000 2.139 293 A HA -0.216 4.103 4.320 -0.002 0.000 0.221 293 A C 2.287 179.803 177.584 -0.113 0.000 1.159 293 A CA 1.764 53.750 52.037 -0.085 0.000 0.662 293 A CB -0.564 18.344 19.000 -0.154 0.000 0.796 293 A HN 0.455 nan 8.150 nan 0.000 0.463 294 M N -1.343 118.191 119.600 -0.110 0.000 2.534 294 M HA 0.040 4.519 4.480 -0.002 0.000 0.263 294 M C 1.364 177.643 176.300 -0.036 0.000 1.152 294 M CA 0.647 55.894 55.300 -0.087 0.000 1.145 294 M CB 0.000 32.550 32.600 -0.083 0.000 1.333 294 M HN 0.118 nan 8.290 nan 0.000 0.477 295 V N 0.881 120.785 119.914 -0.017 0.000 3.541 295 V HA -0.107 4.012 4.120 -0.002 0.000 0.272 295 V C 1.763 177.853 176.094 -0.007 0.000 1.215 295 V CA 1.015 63.313 62.300 -0.003 0.000 1.176 295 V CB -1.262 30.567 31.823 0.009 0.000 0.854 295 V HN 0.532 nan 8.190 nan 0.000 0.496 296 Q N -0.645 119.143 119.800 -0.019 0.000 2.376 296 Q HA 0.105 4.444 4.340 -0.002 0.000 0.206 296 Q C 1.745 177.731 176.000 -0.024 0.000 0.921 296 Q CA 0.610 56.401 55.803 -0.019 0.000 0.911 296 Q CB 0.220 28.942 28.738 -0.025 0.000 1.032 296 Q HN 0.493 nan 8.270 nan 0.000 0.510 297 L N -0.369 120.836 121.223 -0.030 0.000 2.298 297 L HA 0.096 4.435 4.340 -0.002 0.000 0.209 297 L C 0.893 177.752 176.870 -0.018 0.000 1.084 297 L CA 0.500 55.324 54.840 -0.028 0.000 0.816 297 L CB 0.405 42.442 42.059 -0.037 0.000 0.967 297 L HN 0.007 nan 8.230 nan 0.000 0.460 298 S N -3.103 112.588 115.700 -0.014 0.000 2.567 298 S HA 0.473 4.942 4.470 -0.002 0.000 0.270 298 S C -2.544 172.054 174.600 -0.003 0.000 1.152 298 S CA -0.886 57.310 58.200 -0.008 0.000 0.835 298 S CB 1.389 64.585 63.200 -0.006 0.000 1.115 298 S HN -0.227 nan 8.310 nan 0.000 0.459 299 P HA 0.146 nan 4.420 nan 0.000 0.219 299 P C 1.379 178.682 177.300 0.004 0.000 1.150 299 P CA 1.531 64.633 63.100 0.003 0.000 0.814 299 P CB -0.165 31.537 31.700 0.002 0.000 0.787 300 A N 0.031 122.853 122.820 0.003 0.000 2.216 300 A HA 0.098 4.417 4.320 -0.002 0.000 0.214 300 A C 2.093 179.682 177.584 0.008 0.000 1.160 300 A CA 1.261 53.301 52.037 0.004 0.000 0.725 300 A CB -1.302 17.699 19.000 0.002 0.000 0.784 300 A HN 0.192 nan 8.150 nan 0.000 0.472 301 A N -0.859 121.967 122.820 0.010 0.000 2.206 301 A HA 0.332 4.651 4.320 -0.002 0.000 0.211 301 A C 0.851 178.449 177.584 0.024 0.000 1.158 301 A CA 0.158 52.205 52.037 0.017 0.000 0.761 301 A CB -0.233 18.775 19.000 0.013 0.000 0.801 301 A HN 0.434 nan 8.150 nan 0.000 0.473 302 L N 0.591 121.825 121.223 0.019 0.000 2.276 302 L HA 0.436 4.775 4.340 -0.002 0.000 0.286 302 L C 1.001 177.882 176.870 0.018 0.000 1.061 302 L CA -0.699 54.154 54.840 0.022 0.000 0.807 302 L CB 1.363 43.433 42.059 0.020 0.000 1.177 302 L HN 0.335 nan 8.230 nan 0.000 0.429 303 G N 1.511 110.323 108.800 0.020 0.000 2.606 303 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.252 303 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.252 303 G C 0.786 175.693 174.900 0.013 0.000 1.206 303 G CA -0.388 44.721 45.100 0.016 0.000 0.861 303 G HN 0.717 nan 8.290 nan 0.000 0.561 304 N N -0.180 118.525 118.700 0.010 0.000 2.149 304 N HA -0.151 4.588 4.740 -0.002 0.000 0.188 304 N C 1.724 177.242 175.510 0.013 0.000 1.019 304 N CA 1.242 54.298 53.050 0.010 0.000 0.857 304 N CB -0.133 38.358 38.487 0.006 0.000 0.997 304 N HN 0.651 nan 8.380 nan 0.000 0.426 305 D N 0.350 120.758 120.400 0.013 0.000 2.103 305 D HA -0.159 4.480 4.640 -0.002 0.000 0.190 305 D C 1.796 178.104 176.300 0.015 0.000 0.997 305 D CA 1.037 55.045 54.000 0.013 0.000 0.833 305 D CB -0.003 40.805 40.800 0.013 0.000 0.961 305 D HN 0.163 nan 8.370 nan 0.000 0.447 306 M N 0.628 120.237 119.600 0.016 0.000 2.358 306 M HA -0.062 4.417 4.480 -0.002 0.000 0.264 306 M C 2.325 178.634 176.300 0.015 0.000 1.064 306 M CA 0.780 56.090 55.300 0.017 0.000 1.093 306 M CB -1.281 31.331 32.600 0.020 0.000 1.401 306 M HN 0.057 nan 8.290 nan 0.000 0.440 307 A N 1.245 124.073 122.820 0.014 0.000 1.913 307 A HA -0.341 3.978 4.320 -0.002 0.000 0.236 307 A C 2.442 180.032 177.584 0.011 0.000 1.760 307 A CA 3.420 55.465 52.037 0.013 0.000 0.740 307 A CB -1.370 17.638 19.000 0.013 0.000 0.847 307 A HN 0.552 nan 8.150 nan 0.000 0.508 308 A N -1.449 121.377 122.820 0.010 0.000 1.929 308 A HA 0.101 4.420 4.320 -0.002 0.000 0.216 308 A C 2.147 179.737 177.584 0.009 0.000 1.176 308 A CA 1.429 53.471 52.037 0.008 0.000 0.628 308 A CB -0.453 18.550 19.000 0.006 0.000 0.816 308 A HN 0.568 nan 8.150 nan 0.000 0.444 309 I N -0.406 120.171 120.570 0.011 0.000 2.676 309 I HA -0.187 3.982 4.170 -0.002 0.000 0.259 309 I C 2.409 178.535 176.117 0.015 0.000 1.194 309 I CA 1.201 62.509 61.300 0.013 0.000 1.473 309 I CB -0.086 37.923 38.000 0.015 0.000 1.096 309 I HN 0.583 nan 8.210 nan 0.000 0.443 310 E N 1.171 121.380 120.200 0.015 0.000 2.038 310 E HA -0.304 4.045 4.350 -0.002 0.000 0.195 310 E C 2.262 178.872 176.600 0.016 0.000 1.000 310 E CA 1.575 57.985 56.400 0.016 0.000 0.803 310 E CB -0.124 29.584 29.700 0.015 0.000 0.750 310 E HN 0.290 nan 8.360 nan 0.000 0.448 311 L N 1.623 122.854 121.223 0.013 0.000 1.997 311 L HA -0.242 4.097 4.340 -0.002 0.000 0.216 311 L C 2.448 179.327 176.870 0.015 0.000 1.074 311 L CA 2.055 56.903 54.840 0.013 0.000 0.763 311 L CB -0.679 41.386 42.059 0.011 0.000 0.890 311 L HN 0.100 nan 8.230 nan 0.000 0.434 312 R N -1.549 118.960 120.500 0.015 0.000 2.113 312 R HA -0.227 4.112 4.340 -0.002 0.000 0.244 312 R C 2.235 178.548 176.300 0.021 0.000 1.142 312 R CA 2.110 58.220 56.100 0.017 0.000 0.953 312 R CB -0.443 29.867 30.300 0.016 0.000 0.860 312 R HN 0.394 nan 8.270 nan 0.000 0.438 313 M N 0.158 119.772 119.600 0.023 0.000 2.086 313 M HA -0.155 4.324 4.480 -0.002 0.000 0.261 313 M C 2.180 178.496 176.300 0.027 0.000 1.067 313 M CA 1.712 57.029 55.300 0.028 0.000 1.116 313 M CB -0.708 31.910 32.600 0.029 0.000 1.348 313 M HN 0.156 nan 8.290 nan 0.000 0.407 314 R N -0.168 120.345 120.500 0.022 0.000 2.127 314 R HA -0.200 4.139 4.340 -0.002 0.000 0.238 314 R C 2.072 178.384 176.300 0.021 0.000 1.134 314 R CA 1.535 57.647 56.100 0.020 0.000 0.975 314 R CB -0.406 29.903 30.300 0.016 0.000 0.865 314 R HN 0.378 nan 8.270 nan 0.000 0.447 315 E N 1.114 121.327 120.200 0.022 0.000 2.072 315 E HA -0.123 4.226 4.350 -0.002 0.000 0.190 315 E C 1.820 178.438 176.600 0.030 0.000 0.982 315 E CA 0.556 56.969 56.400 0.023 0.000 0.803 315 E CB -0.129 29.584 29.700 0.021 0.000 0.755 315 E HN 0.103 nan 8.360 nan 0.000 0.453 316 L N 0.261 121.504 121.223 0.033 0.000 2.042 316 L HA -0.166 4.173 4.340 -0.002 0.000 0.210 316 L C 2.203 179.101 176.870 0.047 0.000 1.076 316 L CA 2.062 56.929 54.840 0.044 0.000 0.749 316 L CB -0.750 41.335 42.059 0.045 0.000 0.893 316 L HN 0.261 nan 8.230 nan 0.000 0.432 317 A N -0.601 122.241 122.820 0.038 0.000 1.845 317 A HA -0.237 4.082 4.320 -0.002 0.000 0.215 317 A C 2.371 179.972 177.584 0.028 0.000 1.195 317 A CA 1.884 53.940 52.037 0.033 0.000 0.616 317 A CB -0.597 18.417 19.000 0.023 0.000 0.832 317 A HN 0.431 nan 8.150 nan 0.000 0.443 318 R N -0.441 120.073 120.500 0.024 0.000 2.115 318 R HA -0.127 4.212 4.340 -0.002 0.000 0.239 318 R C 1.449 177.764 176.300 0.025 0.000 1.133 318 R CA 1.824 57.936 56.100 0.020 0.000 0.935 318 R CB -1.041 29.269 30.300 0.018 0.000 0.853 318 R HN 0.659 nan 8.270 nan 0.000 0.433 319 T N -0.584 113.989 114.554 0.032 0.000 3.607 319 T HA 0.457 4.806 4.350 -0.002 0.000 0.225 319 T C 0.256 174.989 174.700 0.054 0.000 0.904 319 T CA -0.117 62.007 62.100 0.039 0.000 0.962 319 T CB -0.669 68.222 68.868 0.038 0.000 1.221 319 T HN 0.030 nan 8.240 nan 0.000 0.641 320 I N 0.816 121.416 120.570 0.050 0.000 2.842 320 I HA 0.353 4.522 4.170 -0.002 0.000 0.297 320 I C -2.816 173.321 176.117 0.033 0.000 1.380 320 I CA -2.790 58.548 61.300 0.064 0.000 1.018 320 I CB 3.030 41.090 38.000 0.101 0.000 1.311 320 I HN 0.029 nan 8.210 nan 0.000 0.439 321 P HA 0.288 nan 4.420 nan 0.000 0.280 321 P C -2.325 174.959 177.300 -0.028 0.000 1.300 321 P CA -1.572 61.518 63.100 -0.017 0.000 0.785 321 P CB 0.324 31.999 31.700 -0.041 0.000 0.874 322 P HA -0.144 nan 4.420 nan 0.000 0.229 322 P C 1.294 178.563 177.300 -0.053 0.000 1.150 322 P CA 1.352 64.433 63.100 -0.033 0.000 0.765 322 P CB -0.234 31.446 31.700 -0.034 0.000 0.783 323 T N -5.318 109.198 114.554 -0.062 0.000 3.035 323 T HA -0.025 4.324 4.350 -0.002 0.000 0.259 323 T C 1.489 176.122 174.700 -0.112 0.000 1.078 323 T CA 0.689 62.744 62.100 -0.074 0.000 1.132 323 T CB -0.633 68.196 68.868 -0.066 0.000 0.900 323 T HN -0.095 nan 8.240 nan 0.000 0.480 324 D N 1.386 121.698 120.400 -0.146 0.000 2.084 324 D HA 0.087 4.726 4.640 -0.002 0.000 0.196 324 D C 2.073 178.190 176.300 -0.304 0.000 0.985 324 D CA 0.637 54.464 54.000 -0.287 0.000 0.826 324 D CB -0.366 40.265 40.800 -0.283 0.000 0.978 324 D HN 0.349 nan 8.370 nan 0.000 0.456 325 I N 0.452 120.967 120.570 -0.092 0.000 2.118 325 I HA -0.341 3.828 4.170 -0.002 0.000 0.241 325 I C 2.282 178.445 176.117 0.077 0.000 1.070 325 I CA 1.337 62.676 61.300 0.065 0.000 1.327 325 I CB -0.183 37.865 38.000 0.080 0.000 1.034 325 I HN 0.052 nan 8.210 nan 0.000 0.405 326 Q N 0.577 120.373 119.800 -0.006 0.000 2.437 326 Q HA -0.193 4.146 4.340 -0.002 0.000 0.210 326 Q C 1.820 177.846 176.000 0.043 0.000 0.972 326 Q CA 1.006 56.813 55.803 0.006 0.000 0.903 326 Q CB -0.040 28.655 28.738 -0.071 0.000 0.967 326 Q HN 0.438 nan 8.270 nan 0.000 0.486 327 L N -0.860 120.334 121.223 -0.049 0.000 2.007 327 L HA -0.104 4.235 4.340 -0.002 0.000 0.205 327 L C 1.431 178.322 176.870 0.035 0.000 1.073 327 L CA 1.708 56.502 54.840 -0.076 0.000 0.744 327 L CB -0.767 41.161 42.059 -0.219 0.000 0.898 327 L HN 0.232 nan 8.230 nan 0.000 0.435 328 Y N -1.040 119.321 120.300 0.102 0.000 2.053 328 Y HA -0.346 4.203 4.550 -0.002 0.000 0.277 328 Y C 2.598 178.564 175.900 0.110 0.000 1.159 328 Y CA 1.914 60.077 58.100 0.105 0.000 1.125 328 Y CB -1.624 36.903 38.460 0.112 0.000 0.969 328 Y HN 0.248 nan 8.280 nan 0.000 0.492 329 Y N 1.022 121.443 120.300 0.202 0.000 2.096 329 Y HA -0.441 4.108 4.550 -0.001 0.000 0.276 329 Y C 2.498 178.446 175.900 0.080 0.000 1.209 329 Y CA 2.512 60.685 58.100 0.121 0.000 1.137 329 Y CB -0.437 38.080 38.460 0.095 0.000 0.956 329 Y HN 0.283 nan 8.280 nan 0.000 0.506 330 Q N -1.374 118.589 119.800 0.273 0.000 2.124 330 Q HA -0.173 4.166 4.340 -0.002 0.000 0.202 330 Q C 2.039 178.078 176.000 0.065 0.000 0.977 330 Q CA 2.137 58.036 55.803 0.160 0.000 0.850 330 Q CB -0.263 28.529 28.738 0.090 0.000 0.901 330 Q HN 0.497 nan 8.270 nan 0.000 0.429 331 T N 1.008 115.601 114.554 0.064 0.000 2.812 331 T HA -0.039 4.310 4.350 -0.002 0.000 0.264 331 T C 1.882 176.587 174.700 0.008 0.000 1.042 331 T CA 0.649 62.768 62.100 0.032 0.000 1.140 331 T CB -0.157 68.760 68.868 0.081 0.000 0.870 331 T HN 0.143 nan 8.240 nan 0.000 0.445 332 L N 0.221 121.437 121.223 -0.012 0.000 2.056 332 L HA -0.018 4.321 4.340 -0.002 0.000 0.207 332 L C 2.492 179.306 176.870 -0.094 0.000 1.078 332 L CA 0.753 55.553 54.840 -0.067 0.000 0.749 332 L CB -0.504 41.485 42.059 -0.117 0.000 0.901 332 L HN 0.204 nan 8.230 nan 0.000 0.433 333 L N 0.103 121.249 121.223 -0.128 0.000 2.083 333 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 333 L C 2.256 179.114 176.870 -0.021 0.000 1.083 333 L CA 1.736 56.526 54.840 -0.084 0.000 0.752 333 L CB -0.342 41.692 42.059 -0.042 0.000 0.899 333 L HN 0.102 nan 8.230 nan 0.000 0.433 334 I N -1.023 119.542 120.570 -0.009 0.000 2.202 334 I HA -0.189 3.980 4.170 -0.002 0.000 0.242 334 I C 2.497 178.618 176.117 0.007 0.000 1.091 334 I CA 1.198 62.499 61.300 0.003 0.000 1.368 334 I CB -1.125 36.870 38.000 -0.008 0.000 1.058 334 I HN 0.368 nan 8.210 nan 0.000 0.410 335 G N 0.752 109.550 108.800 -0.004 0.000 2.469 335 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.219 335 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.219 335 G C 1.746 176.648 174.900 0.004 0.000 1.150 335 G CA 1.009 46.109 45.100 -0.001 0.000 0.763 335 G HN 0.274 nan 8.290 nan 0.000 0.561 336 R N 0.499 120.997 120.500 -0.004 0.000 2.096 336 R HA -0.060 4.279 4.340 -0.002 0.000 0.229 336 R C 2.612 178.923 176.300 0.019 0.000 1.134 336 R CA 1.836 57.936 56.100 0.001 0.000 0.917 336 R CB -0.348 29.945 30.300 -0.012 0.000 0.832 336 R HN 0.258 nan 8.270 nan 0.000 0.430 337 K N 0.046 120.465 120.400 0.032 0.000 2.242 337 K HA -0.231 4.088 4.320 -0.002 0.000 0.206 337 K C 1.920 178.598 176.600 0.130 0.000 1.045 337 K CA 2.069 58.397 56.287 0.068 0.000 0.930 337 K CB -0.082 32.454 32.500 0.061 0.000 0.726 337 K HN 0.451 nan 8.250 nan 0.000 0.462 338 E N 0.180 120.444 120.200 0.107 0.000 2.276 338 E HA -0.057 4.292 4.350 -0.002 0.000 0.193 338 E C 1.843 178.517 176.600 0.124 0.000 0.983 338 E CA 0.006 56.502 56.400 0.160 0.000 0.861 338 E CB 0.104 29.853 29.700 0.082 0.000 0.817 338 E HN 0.120 nan 8.360 nan 0.000 0.485 339 L N 1.853 123.095 121.223 0.032 0.000 2.042 339 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 339 L C -1.036 175.790 176.870 -0.073 0.000 1.076 339 L CA 1.825 56.655 54.840 -0.016 0.000 0.749 339 L CB -0.643 41.408 42.059 -0.014 0.000 0.893 339 L HN 0.060 nan 8.230 nan 0.000 0.432 340 P HA -0.110 nan 4.420 nan 0.000 0.230 340 P C 0.509 177.579 177.300 -0.384 0.000 1.158 340 P CA 1.472 64.370 63.100 -0.336 0.000 0.769 340 P CB -0.085 31.279 31.700 -0.560 0.000 0.807 341 Y N -0.560 119.737 120.300 -0.005 0.000 2.522 341 Y HA 0.387 4.936 4.550 -0.002 0.000 0.277 341 Y C 1.652 177.544 175.900 -0.014 0.000 1.104 341 Y CA -0.375 57.721 58.100 -0.007 0.000 1.260 341 Y CB -0.643 37.813 38.460 -0.007 0.000 1.151 341 Y HN -0.211 nan 8.280 nan 0.000 0.539 342 A N 2.042 124.925 122.820 0.106 0.000 2.583 342 A HA -0.026 4.293 4.320 -0.002 0.000 0.231 342 A C -1.526 176.065 177.584 0.011 0.000 1.065 342 A CA -0.670 51.388 52.037 0.035 0.000 0.760 342 A CB -0.331 18.665 19.000 -0.008 0.000 1.001 342 A HN 0.184 nan 8.150 nan 0.000 0.509 343 P HA 0.053 nan 4.420 nan 0.000 0.220 343 P C -0.074 177.215 177.300 -0.018 0.000 1.152 343 P CA 1.226 64.324 63.100 -0.002 0.000 0.812 343 P CB 0.214 31.910 31.700 -0.007 0.000 0.792 344 D N -1.747 118.625 120.400 -0.046 0.000 2.787 344 D HA 0.194 4.833 4.640 -0.002 0.000 0.246 344 D C 1.064 177.296 176.300 -0.114 0.000 1.150 344 D CA -0.663 53.300 54.000 -0.062 0.000 0.864 344 D CB 1.350 42.103 40.800 -0.078 0.000 1.481 344 D HN -0.347 nan 8.370 nan 0.000 0.509 345 R N 2.288 122.736 120.500 -0.086 0.000 2.105 345 R HA -0.147 4.192 4.340 -0.002 0.000 0.239 345 R C 1.876 177.899 176.300 -0.462 0.000 1.135 345 R CA 1.002 57.032 56.100 -0.116 0.000 0.967 345 R CB -0.132 30.234 30.300 0.109 0.000 0.861 345 R HN 0.490 nan 8.270 nan 0.000 0.442 346 R N 0.861 120.937 120.500 -0.707 0.000 2.075 346 R HA -0.095 4.244 4.340 -0.002 0.000 0.230 346 R C 2.414 178.337 176.300 -0.629 0.000 1.140 346 R CA 1.741 57.148 56.100 -1.156 0.000 0.928 346 R CB -0.277 29.613 30.300 -0.683 0.000 0.834 346 R HN 0.080 nan 8.270 nan 0.000 0.429 347 M N 0.043 119.438 119.600 -0.342 0.000 2.108 347 M HA -0.185 4.294 4.480 -0.002 0.000 0.257 347 M C 2.253 178.435 176.300 -0.197 0.000 1.071 347 M CA 1.980 57.151 55.300 -0.214 0.000 1.093 347 M CB -0.601 31.925 32.600 -0.124 0.000 1.345 347 M HN 0.550 nan 8.290 nan 0.000 0.403 348 G N -0.415 108.264 108.800 -0.201 0.000 2.480 348 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.216 348 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.216 348 G C 1.430 176.241 174.900 -0.148 0.000 1.200 348 G CA 0.999 46.018 45.100 -0.135 0.000 0.782 348 G HN 0.326 nan 8.290 nan 0.000 0.554 349 V N 0.743 120.516 119.914 -0.235 0.000 2.332 349 V HA -0.219 3.900 4.120 -0.002 0.000 0.248 349 V C 2.711 178.703 176.094 -0.171 0.000 1.055 349 V CA 2.456 64.642 62.300 -0.190 0.000 1.038 349 V CB -0.561 31.119 31.823 -0.238 0.000 0.651 349 V HN 0.492 nan 8.190 nan 0.000 0.450 350 E N -0.675 119.383 120.200 -0.238 0.000 2.021 350 E HA -0.251 4.098 4.350 -0.002 0.000 0.200 350 E C 2.222 178.772 176.600 -0.084 0.000 1.015 350 E CA 1.615 57.921 56.400 -0.156 0.000 0.824 350 E CB -0.220 29.378 29.700 -0.170 0.000 0.762 350 E HN 0.348 nan 8.360 nan 0.000 0.454 351 M N 0.392 119.948 119.600 -0.075 0.000 2.539 351 M HA -0.098 4.381 4.480 -0.002 0.000 0.261 351 M C 1.895 178.193 176.300 -0.004 0.000 1.069 351 M CA 1.163 56.447 55.300 -0.028 0.000 1.081 351 M CB -0.490 32.096 32.600 -0.024 0.000 1.412 351 M HN 0.138 nan 8.290 nan 0.000 0.482 352 T N 0.605 115.146 114.554 -0.022 0.000 2.894 352 T HA 0.083 4.432 4.350 -0.002 0.000 0.258 352 T C 1.963 176.671 174.700 0.014 0.000 1.043 352 T CA 0.586 62.684 62.100 -0.003 0.000 1.141 352 T CB 0.158 69.014 68.868 -0.019 0.000 0.873 352 T HN 0.295 nan 8.240 nan 0.000 0.449 353 L N 0.632 121.852 121.223 -0.006 0.000 2.044 353 L HA 0.037 4.376 4.340 -0.002 0.000 0.205 353 L C 2.426 179.311 176.870 0.025 0.000 1.075 353 L CA 1.083 55.923 54.840 0.001 0.000 0.747 353 L CB -0.634 41.410 42.059 -0.024 0.000 0.903 353 L HN 0.249 nan 8.230 nan 0.000 0.435 354 L N -0.372 120.861 121.223 0.017 0.000 2.081 354 L HA -0.257 4.082 4.340 -0.002 0.000 0.212 354 L C 2.845 179.772 176.870 0.094 0.000 1.080 354 L CA 1.304 56.163 54.840 0.032 0.000 0.754 354 L CB -0.489 41.578 42.059 0.013 0.000 0.893 354 L HN 0.260 nan 8.230 nan 0.000 0.433 355 R N 0.031 120.608 120.500 0.128 0.000 2.066 355 R HA -0.145 4.194 4.340 -0.002 0.000 0.232 355 R C 2.421 178.908 176.300 0.311 0.000 1.131 355 R CA 1.285 57.534 56.100 0.248 0.000 0.955 355 R CB -0.307 30.085 30.300 0.153 0.000 0.851 355 R HN 0.322 nan 8.270 nan 0.000 0.432 356 A N 1.057 123.996 122.820 0.198 0.000 1.958 356 A HA -0.205 4.114 4.320 -0.002 0.000 0.221 356 A C 2.127 179.875 177.584 0.274 0.000 1.178 356 A CA 1.500 53.678 52.037 0.235 0.000 0.642 356 A CB -0.544 18.534 19.000 0.130 0.000 0.816 356 A HN 0.368 nan 8.150 nan 0.000 0.453 357 L N -1.635 119.690 121.223 0.169 0.000 2.102 357 L HA -0.041 4.298 4.340 -0.002 0.000 0.202 357 L C 3.074 180.021 176.870 0.129 0.000 1.076 357 L CA 0.871 55.773 54.840 0.104 0.000 0.761 357 L CB -0.520 41.541 42.059 0.003 0.000 0.921 357 L HN 0.409 nan 8.230 nan 0.000 0.444 358 A N -0.376 122.492 122.820 0.078 0.000 2.019 358 A HA -0.153 4.166 4.320 -0.002 0.000 0.219 358 A C 1.560 178.999 177.584 -0.242 0.000 1.164 358 A CA 1.353 53.328 52.037 -0.103 0.000 0.644 358 A CB -0.573 18.303 19.000 -0.207 0.000 0.805 358 A HN 0.399 nan 8.150 nan 0.000 0.449 359 F N -0.685 119.330 119.950 0.108 0.000 2.668 359 F HA 0.178 4.704 4.527 -0.002 0.000 0.297 359 F C 0.923 176.807 175.800 0.139 0.000 1.124 359 F CA -0.486 57.573 58.000 0.097 0.000 1.353 359 F CB -0.204 38.841 39.000 0.074 0.000 0.992 359 F HN 0.278 nan 8.300 nan 0.000 0.524 360 H N 2.611 121.791 119.070 0.184 0.000 3.004 360 H HA 0.003 4.558 4.556 -0.002 0.000 0.316 360 H C -1.650 173.742 175.328 0.107 0.000 1.014 360 H CA -1.016 55.143 56.048 0.185 0.000 1.454 360 H CB 1.411 31.266 29.762 0.156 0.000 1.472 360 H HN 0.046 nan 8.280 nan 0.000 0.571 361 P HA -0.110 nan 4.420 nan 0.000 0.213 361 P C 1.591 178.781 177.300 -0.184 0.000 1.170 361 P CA 0.745 63.733 63.100 -0.187 0.000 0.889 361 P CB 0.404 31.961 31.700 -0.239 0.000 0.782 362 R N -0.722 119.553 120.500 -0.374 0.000 2.070 362 R HA 0.067 4.406 4.340 -0.002 0.000 0.233 362 R C 1.131 177.505 176.300 0.124 0.000 1.137 362 R CA 1.257 57.297 56.100 -0.101 0.000 0.945 362 R CB -0.946 29.331 30.300 -0.038 0.000 0.845 362 R HN 0.314 nan 8.270 nan 0.000 0.430 363 M N 1.142 120.995 119.600 0.423 0.000 1.986 363 M HA 0.297 4.776 4.480 -0.002 0.000 0.247 363 M C -2.357 174.093 176.300 0.250 0.000 0.851 363 M CA -1.732 53.734 55.300 0.277 0.000 0.785 363 M CB 2.250 34.959 32.600 0.181 0.000 1.554 363 M HN -0.196 nan 8.290 nan 0.000 0.361 364 P HA 0.105 nan 4.420 nan 0.000 0.273 364 P C -0.866 176.451 177.300 0.029 0.000 1.258 364 P CA -0.545 62.609 63.100 0.090 0.000 0.802 364 P CB 0.588 32.303 31.700 0.024 0.000 1.040 365 L N 1.753 122.964 121.223 -0.020 0.000 2.289 365 L HA 0.452 4.791 4.340 -0.002 0.000 0.285 365 L C -2.097 174.745 176.870 -0.047 0.000 1.049 365 L CA -2.076 52.742 54.840 -0.038 0.000 0.804 365 L CB 0.144 42.170 42.059 -0.054 0.000 1.195 365 L HN 0.284 nan 8.230 nan 0.000 0.428 366 P HA 0.071 nan 4.420 nan 0.000 0.267 366 P C -1.077 176.201 177.300 -0.035 0.000 1.209 366 P CA -0.023 63.060 63.100 -0.029 0.000 0.763 366 P CB 0.628 32.316 31.700 -0.020 0.000 0.816 367 E N 3.770 123.949 120.200 -0.035 0.000 2.183 367 E HA 0.380 4.729 4.350 -0.002 0.000 0.271 367 E C -1.561 175.025 176.600 -0.024 0.000 0.919 367 E CA -1.778 54.601 56.400 -0.035 0.000 0.781 367 E CB 1.052 30.726 29.700 -0.044 0.000 1.140 367 E HN 0.419 nan 8.360 nan 0.000 0.402 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 368 P CB 0.000 31.692 31.700 -0.013 0.000 0.726