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 3mvi_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.688 174.700 -0.020 0.000 1.109 4 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 4 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 5 P HA 0.376 nan 4.420 nan 0.000 0.266 5 P C 0.955 178.249 177.300 -0.010 0.000 1.195 5 P CA -0.154 62.917 63.100 -0.049 0.000 0.768 5 P CB 0.599 32.246 31.700 -0.089 0.000 0.838 6 A N 2.340 125.164 122.820 0.007 0.000 1.969 6 A HA -0.027 4.292 4.320 -0.001 0.000 0.218 6 A C 0.568 178.259 177.584 0.179 0.000 1.169 6 A CA 1.133 53.235 52.037 0.108 0.000 0.635 6 A CB -0.590 18.485 19.000 0.125 0.000 0.810 6 A HN 0.522 nan 8.150 nan 0.000 0.445 7 F N -0.108 119.716 119.950 -0.209 0.000 3.090 7 F HA 0.395 4.922 4.527 -0.000 0.000 0.381 7 F C -0.539 175.117 175.800 -0.240 0.000 1.231 7 F CA -1.540 56.317 58.000 -0.238 0.000 1.177 7 F CB 0.680 39.361 39.000 -0.530 0.000 1.598 7 F HN 0.036 nan 8.300 nan 0.000 0.589 8 N N 4.847 123.308 118.700 -0.399 0.000 3.250 8 N HA 0.226 4.965 4.740 -0.001 0.000 0.307 8 N C -1.005 174.223 175.510 -0.470 0.000 1.355 8 N CA 0.246 53.082 53.050 -0.357 0.000 1.192 8 N CB -0.018 38.351 38.487 -0.197 0.000 1.478 8 N HN 0.532 nan 8.380 nan 0.000 0.543 9 K N -0.065 119.881 120.400 -0.758 0.000 2.495 9 K HA 0.491 4.811 4.320 -0.001 0.000 0.268 9 K C -2.824 173.600 176.600 -0.293 0.000 1.008 9 K CA -2.048 53.883 56.287 -0.593 0.000 0.882 9 K CB 1.431 33.361 32.500 -0.949 0.000 1.443 9 K HN -0.005 nan 8.250 nan 0.000 0.447 10 P HA 0.077 nan 4.420 nan 0.000 0.268 10 P C -1.165 176.274 177.300 0.232 0.000 1.205 10 P CA 0.130 63.270 63.100 0.067 0.000 0.771 10 P CB 0.489 32.202 31.700 0.022 0.000 0.858 11 K N 0.856 121.347 120.400 0.152 0.000 2.400 11 K HA 0.690 5.009 4.320 -0.001 0.000 0.246 11 K C -1.182 175.523 176.600 0.175 0.000 0.995 11 K CA -1.031 55.387 56.287 0.218 0.000 0.840 11 K CB 1.975 34.536 32.500 0.101 0.000 1.293 11 K HN 0.048 nan 8.250 nan 0.000 0.445 12 V N 1.128 121.169 119.914 0.212 0.000 2.604 12 V HA 0.350 4.470 4.120 -0.001 0.000 0.305 12 V C -0.933 175.268 176.094 0.179 0.000 1.043 12 V CA -0.678 61.739 62.300 0.195 0.000 0.888 12 V CB 1.669 33.624 31.823 0.219 0.000 0.995 12 V HN 0.770 nan 8.190 nan 0.000 0.429 13 E N 3.304 123.576 120.200 0.120 0.000 2.224 13 E HA 0.523 4.873 4.350 -0.001 0.000 0.265 13 E C -0.402 176.248 176.600 0.083 0.000 0.878 13 E CA -0.500 55.983 56.400 0.137 0.000 0.759 13 E CB 1.818 31.605 29.700 0.144 0.000 1.164 13 E HN 0.658 nan 8.360 nan 0.000 0.414 14 L N 2.967 124.265 121.223 0.125 0.000 2.638 14 L HA 0.266 4.605 4.340 -0.001 0.000 0.232 14 L C 0.350 177.286 176.870 0.109 0.000 1.099 14 L CA 0.001 54.882 54.840 0.068 0.000 0.883 14 L CB 0.385 42.459 42.059 0.026 0.000 1.136 14 L HN 0.563 nan 8.230 nan 0.000 0.492 15 H N 0.303 119.427 119.070 0.091 0.000 2.854 15 H HA 0.563 5.118 4.556 -0.001 0.000 0.275 15 H C -1.601 173.836 175.328 0.181 0.000 1.198 15 H CA -0.269 55.829 56.048 0.084 0.000 1.489 15 H CB 1.505 31.288 29.762 0.036 0.000 1.519 15 H HN -0.187 nan 8.280 nan 0.000 0.503 16 V N 5.836 125.890 119.914 0.233 0.000 2.852 16 V HA 0.236 4.355 4.120 -0.001 0.000 0.300 16 V C -1.424 174.789 176.094 0.199 0.000 1.205 16 V CA -0.545 61.982 62.300 0.379 0.000 0.940 16 V CB 1.830 33.917 31.823 0.440 0.000 1.047 16 V HN 0.832 nan 8.190 nan 0.000 0.429 17 H N 6.345 125.601 119.070 0.309 0.000 2.562 17 H HA 0.254 4.810 4.556 -0.001 0.000 0.314 17 H C 0.679 176.105 175.328 0.164 0.000 1.079 17 H CA -0.198 56.002 56.048 0.254 0.000 1.349 17 H CB 2.330 32.323 29.762 0.384 0.000 1.432 17 H HN 0.681 nan 8.280 nan 0.000 0.479 18 L N 3.658 124.938 121.223 0.096 0.000 2.012 18 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 18 L C 1.880 178.834 176.870 0.139 0.000 1.073 18 L CA 1.977 56.764 54.840 -0.088 0.000 0.748 18 L CB -0.442 41.468 42.059 -0.248 0.000 0.891 18 L HN 0.712 nan 8.230 nan 0.000 0.431 19 D N -1.551 119.011 120.400 0.270 0.000 2.371 19 D HA -0.034 4.606 4.640 -0.001 0.000 0.221 19 D C 1.679 178.324 176.300 0.575 0.000 0.986 19 D CA 0.969 55.198 54.000 0.381 0.000 0.899 19 D CB -0.654 40.360 40.800 0.356 0.000 0.902 19 D HN 0.420 nan 8.370 nan 0.000 0.530 20 G N -0.758 108.354 108.800 0.520 0.000 3.502 20 G HA2 0.440 4.400 3.960 -0.001 0.000 0.267 20 G HA3 0.440 4.400 3.960 -0.001 0.000 0.267 20 G C 0.429 175.480 174.900 0.251 0.000 1.090 20 G CA 0.004 45.331 45.100 0.379 0.000 0.795 20 G HN 0.412 nan 8.290 nan 0.000 0.535 21 A N 0.743 123.720 122.820 0.263 0.000 3.234 21 A HA 0.651 4.970 4.320 -0.001 0.000 0.247 21 A C -0.350 177.369 177.584 0.225 0.000 0.938 21 A CA -0.338 51.865 52.037 0.278 0.000 1.039 21 A CB -0.054 19.241 19.000 0.491 0.000 1.197 21 A HN 0.195 nan 8.150 nan 0.000 0.498 22 I N 0.387 121.021 120.570 0.106 0.000 2.493 22 I HA 0.283 4.453 4.170 -0.001 0.000 0.298 22 I C 0.079 176.197 176.117 0.003 0.000 0.998 22 I CA -0.821 60.519 61.300 0.067 0.000 1.137 22 I CB 2.045 40.071 38.000 0.044 0.000 1.310 22 I HN 0.193 nan 8.210 nan 0.000 0.445 23 K N 6.212 126.630 120.400 0.029 0.000 2.451 23 K HA 0.088 4.408 4.320 -0.001 0.000 0.280 23 K C -1.707 174.882 176.600 -0.018 0.000 1.020 23 K CA -1.080 55.210 56.287 0.005 0.000 1.008 23 K CB 0.483 32.996 32.500 0.022 0.000 0.917 23 K HN 0.268 nan 8.250 nan 0.000 0.478 24 P HA -0.208 nan 4.420 nan 0.000 0.216 24 P C 0.391 177.688 177.300 -0.006 0.000 1.150 24 P CA 1.334 64.400 63.100 -0.057 0.000 0.843 24 P CB 0.285 31.951 31.700 -0.056 0.000 0.787 25 E N -1.245 118.961 120.200 0.009 0.000 2.085 25 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 25 E C 1.967 178.612 176.600 0.074 0.000 0.994 25 E CA 1.710 58.128 56.400 0.030 0.000 0.801 25 E CB -1.281 28.427 29.700 0.013 0.000 0.743 25 E HN 0.237 nan 8.360 nan 0.000 0.453 26 T N 0.358 114.966 114.554 0.090 0.000 2.857 26 T HA -0.014 4.335 4.350 -0.001 0.000 0.266 26 T C 1.887 176.772 174.700 0.309 0.000 1.048 26 T CA 0.702 62.915 62.100 0.189 0.000 1.139 26 T CB -0.168 68.821 68.868 0.202 0.000 0.874 26 T HN 0.073 nan 8.240 nan 0.000 0.455 27 I N 0.598 121.278 120.570 0.185 0.000 2.179 27 I HA -0.144 4.026 4.170 -0.001 0.000 0.242 27 I C 2.201 178.415 176.117 0.161 0.000 1.088 27 I CA 0.770 62.175 61.300 0.175 0.000 1.357 27 I CB -0.291 37.732 38.000 0.038 0.000 1.051 27 I HN 0.156 nan 8.210 nan 0.000 0.409 28 L N 0.034 121.317 121.223 0.099 0.000 1.989 28 L HA -0.283 4.057 4.340 -0.001 0.000 0.211 28 L C 2.458 179.360 176.870 0.054 0.000 1.071 28 L CA 1.970 56.846 54.840 0.061 0.000 0.749 28 L CB -1.316 40.766 42.059 0.039 0.000 0.890 28 L HN 0.256 nan 8.230 nan 0.000 0.431 29 Y N -0.737 119.526 120.300 -0.061 0.000 2.069 29 Y HA -0.357 4.193 4.550 -0.001 0.000 0.278 29 Y C 2.381 178.128 175.900 -0.254 0.000 1.175 29 Y CA 2.097 60.077 58.100 -0.201 0.000 1.134 29 Y CB -0.532 37.730 38.460 -0.329 0.000 0.965 29 Y HN 0.156 nan 8.280 nan 0.000 0.498 30 F N -0.169 119.859 119.950 0.129 0.000 2.259 30 F HA 0.023 4.550 4.527 0.000 0.000 0.298 30 F C 2.563 178.344 175.800 -0.030 0.000 1.088 30 F CA 1.175 59.197 58.000 0.036 0.000 1.358 30 F CB -1.105 37.970 39.000 0.125 0.000 1.040 30 F HN 0.133 nan 8.300 nan 0.000 0.505 31 G N 0.153 109.030 108.800 0.129 0.000 2.421 31 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 31 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 31 G C 1.782 176.675 174.900 -0.012 0.000 1.171 31 G CA 0.726 45.862 45.100 0.061 0.000 0.775 31 G HN 0.241 nan 8.290 nan 0.000 0.543 32 K N 0.251 120.602 120.400 -0.082 0.000 2.009 32 K HA -0.094 4.226 4.320 -0.001 0.000 0.210 32 K C 2.483 178.983 176.600 -0.167 0.000 1.049 32 K CA 1.446 57.653 56.287 -0.132 0.000 0.929 32 K CB -0.199 32.189 32.500 -0.185 0.000 0.714 32 K HN 0.244 nan 8.250 nan 0.000 0.440 33 K N 1.119 121.347 120.400 -0.286 0.000 2.063 33 K HA -0.151 4.169 4.320 -0.001 0.000 0.208 33 K C 1.966 178.519 176.600 -0.078 0.000 1.048 33 K CA 1.453 57.586 56.287 -0.258 0.000 0.928 33 K CB 0.108 32.352 32.500 -0.426 0.000 0.713 33 K HN 0.052 nan 8.250 nan 0.000 0.442 34 R N -1.091 119.406 120.500 -0.006 0.000 2.276 34 R HA 0.088 4.428 4.340 -0.001 0.000 0.196 34 R C 0.587 176.899 176.300 0.020 0.000 0.961 34 R CA 0.547 56.671 56.100 0.039 0.000 1.024 34 R CB 0.471 30.824 30.300 0.088 0.000 0.940 34 R HN 0.403 nan 8.270 nan 0.000 0.480 35 G N 2.213 111.014 108.800 0.000 0.000 2.298 35 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.287 35 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.287 35 G C -0.139 174.773 174.900 0.020 0.000 1.075 35 G CA -0.032 45.070 45.100 0.003 0.000 0.960 35 G HN 0.235 nan 8.290 nan 0.000 0.502 36 I N 0.464 121.051 120.570 0.028 0.000 2.465 36 I HA 0.588 4.758 4.170 -0.001 0.000 0.291 36 I C 0.876 177.017 176.117 0.041 0.000 1.014 36 I CA -0.958 60.366 61.300 0.039 0.000 1.093 36 I CB 1.947 39.976 38.000 0.048 0.000 1.267 36 I HN 0.370 nan 8.210 nan 0.000 0.431 37 A N 7.717 130.564 122.820 0.044 0.000 2.546 37 A HA 0.446 4.765 4.320 -0.001 0.000 0.243 37 A C -0.464 177.157 177.584 0.061 0.000 1.063 37 A CA 0.437 52.503 52.037 0.047 0.000 0.757 37 A CB -0.008 19.024 19.000 0.053 0.000 0.991 37 A HN 0.670 nan 8.150 nan 0.000 0.503 38 L N 4.014 125.267 121.223 0.051 0.000 2.354 38 L HA 0.459 4.799 4.340 -0.001 0.000 0.269 38 L C -1.290 175.595 176.870 0.023 0.000 1.005 38 L CA -1.796 53.076 54.840 0.054 0.000 0.819 38 L CB 2.412 44.494 42.059 0.038 0.000 1.311 38 L HN 0.598 nan 8.230 nan 0.000 0.423 39 P HA 0.111 nan 4.420 nan 0.000 0.247 39 P C -0.375 176.866 177.300 -0.098 0.000 1.225 39 P CA 0.386 63.439 63.100 -0.077 0.000 0.768 39 P CB 0.503 32.028 31.700 -0.291 0.000 1.020 40 A N -0.303 122.475 122.820 -0.070 0.000 2.608 40 A HA 0.465 4.785 4.320 -0.001 0.000 0.292 40 A C -0.403 177.160 177.584 -0.034 0.000 1.066 40 A CA -0.544 51.459 52.037 -0.057 0.000 0.676 40 A CB 0.555 19.508 19.000 -0.079 0.000 1.277 40 A HN -0.168 nan 8.150 nan 0.000 0.413 41 D N 0.291 120.675 120.400 -0.027 0.000 2.441 41 D HA 0.119 4.759 4.640 -0.001 0.000 0.210 41 D C 0.724 177.014 176.300 -0.017 0.000 1.102 41 D CA 1.352 55.340 54.000 -0.018 0.000 0.840 41 D CB 0.937 41.729 40.800 -0.014 0.000 0.990 41 D HN 0.758 nan 8.370 nan 0.000 0.505 42 T N -1.860 112.681 114.554 -0.021 0.000 2.950 42 T HA 0.304 4.654 4.350 -0.001 0.000 0.288 42 T C 1.325 176.011 174.700 -0.023 0.000 1.035 42 T CA -0.690 61.399 62.100 -0.018 0.000 1.028 42 T CB 2.512 71.371 68.868 -0.016 0.000 1.109 42 T HN -0.196 nan 8.240 nan 0.000 0.514 43 V N 0.640 120.544 119.914 -0.018 0.000 2.427 43 V HA -0.027 4.093 4.120 -0.001 0.000 0.248 43 V C 2.242 178.320 176.094 -0.026 0.000 1.051 43 V CA 2.280 64.567 62.300 -0.022 0.000 1.048 43 V CB -0.944 30.870 31.823 -0.015 0.000 0.666 43 V HN 1.031 nan 8.190 nan 0.000 0.456 44 E N 0.151 120.339 120.200 -0.020 0.000 2.072 44 E HA -0.268 4.082 4.350 -0.001 0.000 0.191 44 E C 2.115 178.700 176.600 -0.024 0.000 0.985 44 E CA 1.933 58.323 56.400 -0.017 0.000 0.801 44 E CB -0.211 29.483 29.700 -0.010 0.000 0.750 44 E HN 0.839 nan 8.360 nan 0.000 0.452 45 E N 0.334 120.516 120.200 -0.030 0.000 2.106 45 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 45 E C 2.169 178.729 176.600 -0.068 0.000 0.984 45 E CA 0.607 56.982 56.400 -0.042 0.000 0.806 45 E CB -0.051 29.626 29.700 -0.038 0.000 0.750 45 E HN 0.164 nan 8.360 nan 0.000 0.458 46 L N 1.363 122.545 121.223 -0.070 0.000 2.017 46 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 46 L C 2.169 178.977 176.870 -0.104 0.000 1.073 46 L CA 1.696 56.477 54.840 -0.098 0.000 0.745 46 L CB -0.180 41.832 42.059 -0.078 0.000 0.894 46 L HN -0.071 nan 8.230 nan 0.000 0.432 47 R N -0.512 119.945 120.500 -0.071 0.000 2.105 47 R HA -0.168 4.171 4.340 -0.001 0.000 0.239 47 R C 1.860 178.141 176.300 -0.032 0.000 1.135 47 R CA 1.528 57.597 56.100 -0.051 0.000 0.967 47 R CB -0.531 29.756 30.300 -0.022 0.000 0.861 47 R HN 0.479 nan 8.270 nan 0.000 0.442 48 N N 0.378 119.058 118.700 -0.033 0.000 2.396 48 N HA -0.093 4.646 4.740 -0.001 0.000 0.180 48 N C 1.600 177.087 175.510 -0.038 0.000 1.028 48 N CA 0.841 53.881 53.050 -0.017 0.000 0.893 48 N CB 0.101 38.580 38.487 -0.014 0.000 0.967 48 N HN 0.295 nan 8.380 nan 0.000 0.440 49 I N -0.399 120.107 120.570 -0.106 0.000 3.172 49 I HA 0.104 4.274 4.170 -0.001 0.000 0.278 49 I C 1.533 177.542 176.117 -0.181 0.000 1.174 49 I CA 0.260 61.450 61.300 -0.183 0.000 1.445 49 I CB 0.301 38.099 38.000 -0.337 0.000 1.175 49 I HN -0.089 nan 8.210 nan 0.000 0.447 50 I N 0.960 121.432 120.570 -0.163 0.000 2.286 50 I HA -0.047 4.123 4.170 -0.001 0.000 0.245 50 I C 1.578 177.705 176.117 0.017 0.000 1.104 50 I CA 0.648 61.933 61.300 -0.024 0.000 1.397 50 I CB -0.729 37.216 38.000 -0.091 0.000 1.072 50 I HN 0.225 nan 8.210 nan 0.000 0.417 51 G N 0.629 109.430 108.800 0.002 0.000 2.580 51 G HA2 0.562 4.521 3.960 -0.001 0.000 0.278 51 G HA3 0.562 4.521 3.960 -0.001 0.000 0.278 51 G C -0.527 174.442 174.900 0.115 0.000 1.212 51 G CA -0.424 44.713 45.100 0.061 0.000 0.939 51 G HN -0.008 nan 8.290 nan 0.000 0.513 52 M N 0.026 119.736 119.600 0.183 0.000 2.457 52 M HA 0.301 4.780 4.480 -0.001 0.000 0.300 52 M C -0.893 175.532 176.300 0.209 0.000 1.141 52 M CA -0.678 54.732 55.300 0.183 0.000 0.901 52 M CB 2.808 35.543 32.600 0.225 0.000 1.687 52 M HN 0.625 nan 8.290 nan 0.000 0.449 53 D N -0.677 119.822 120.400 0.165 0.000 2.539 53 D HA 0.221 4.861 4.640 -0.001 0.000 0.232 53 D C -0.407 175.998 176.300 0.174 0.000 1.256 53 D CA -0.089 54.050 54.000 0.230 0.000 0.810 53 D CB 0.663 41.610 40.800 0.245 0.000 1.090 53 D HN 0.114 nan 8.370 nan 0.000 0.519 54 K N 0.784 121.210 120.400 0.044 0.000 2.477 54 K HA 0.496 4.815 4.320 -0.001 0.000 0.255 54 K C -2.909 173.554 176.600 -0.228 0.000 0.952 54 K CA -2.027 54.219 56.287 -0.069 0.000 0.826 54 K CB 1.760 34.252 32.500 -0.014 0.000 1.331 54 K HN -0.139 nan 8.250 nan 0.000 0.437 55 P HA 0.171 nan 4.420 nan 0.000 0.266 55 P C -0.036 177.138 177.300 -0.210 0.000 1.195 55 P CA 0.066 62.893 63.100 -0.456 0.000 0.768 55 P CB 0.671 32.019 31.700 -0.585 0.000 0.838 56 L N 0.840 121.983 121.223 -0.134 0.000 2.801 56 L HA 0.482 4.821 4.340 -0.001 0.000 0.220 56 L C 0.547 177.398 176.870 -0.032 0.000 1.608 56 L CA -0.103 54.711 54.840 -0.043 0.000 2.712 56 L CB 0.107 42.188 42.059 0.036 0.000 2.517 56 L HN 0.470 nan 8.230 nan 0.000 0.812 57 S N -1.692 114.027 115.700 0.033 0.000 2.625 57 S HA 0.297 4.767 4.470 -0.001 0.000 0.271 57 S C -0.013 174.662 174.600 0.126 0.000 1.161 57 S CA -0.613 57.612 58.200 0.043 0.000 0.820 57 S CB 1.544 64.765 63.200 0.035 0.000 1.137 57 S HN 0.262 nan 8.310 nan 0.000 0.470 58 L N 1.502 122.797 121.223 0.120 0.000 2.017 58 L HA 0.214 4.553 4.340 -0.001 0.000 0.208 58 L C -1.149 175.879 176.870 0.263 0.000 1.073 58 L CA 1.870 56.841 54.840 0.217 0.000 0.745 58 L CB -1.551 40.598 42.059 0.150 0.000 0.894 58 L HN 0.602 nan 8.230 nan 0.000 0.432 59 P HA -0.080 nan 4.420 nan 0.000 0.217 59 P C 1.568 178.929 177.300 0.102 0.000 1.150 59 P CA 1.687 64.848 63.100 0.102 0.000 0.832 59 P CB -0.330 31.399 31.700 0.049 0.000 0.787 60 G N -0.867 108.001 108.800 0.114 0.000 2.422 60 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.218 60 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.218 60 G C 1.356 176.347 174.900 0.152 0.000 1.140 60 G CA 0.266 45.428 45.100 0.102 0.000 0.775 60 G HN 0.222 nan 8.290 nan 0.000 0.545 61 F N 1.350 121.357 119.950 0.095 0.000 2.102 61 F HA 0.056 4.582 4.527 -0.001 0.000 0.298 61 F C 2.285 178.194 175.800 0.183 0.000 1.105 61 F CA 1.128 59.212 58.000 0.140 0.000 1.239 61 F CB -0.317 38.801 39.000 0.198 0.000 0.991 61 F HN 0.044 nan 8.300 nan 0.000 0.474 62 L N 0.377 121.541 121.223 -0.098 0.000 2.191 62 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 62 L C 2.749 179.623 176.870 0.007 0.000 1.103 62 L CA 0.940 55.719 54.840 -0.102 0.000 0.769 62 L CB -1.162 40.916 42.059 0.032 0.000 0.908 62 L HN 0.312 nan 8.230 nan 0.000 0.438 63 A N -0.360 122.439 122.820 -0.036 0.000 2.070 63 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 63 A C 2.208 179.693 177.584 -0.165 0.000 1.159 63 A CA 1.154 53.146 52.037 -0.074 0.000 0.656 63 A CB -0.219 18.732 19.000 -0.081 0.000 0.800 63 A HN 0.185 nan 8.150 nan 0.000 0.453 64 K N -0.596 119.711 120.400 -0.154 0.000 2.211 64 K HA -0.071 4.249 4.320 -0.001 0.000 0.203 64 K C 1.363 177.872 176.600 -0.152 0.000 1.050 64 K CA 0.959 57.188 56.287 -0.096 0.000 0.945 64 K CB -0.634 31.799 32.500 -0.111 0.000 0.732 64 K HN 0.598 nan 8.250 nan 0.000 0.451 65 F N 2.154 121.952 119.950 -0.253 0.000 2.216 65 F HA -0.171 4.356 4.527 -0.001 0.000 0.300 65 F C 1.786 177.204 175.800 -0.636 0.000 1.085 65 F CA 1.125 58.800 58.000 -0.542 0.000 1.326 65 F CB -0.308 38.499 39.000 -0.322 0.000 1.027 65 F HN 0.038 nan 8.300 nan 0.000 0.497 66 D N -0.914 119.401 120.400 -0.141 0.000 2.221 66 D HA -0.206 4.434 4.640 -0.001 0.000 0.204 66 D C 1.966 178.151 176.300 -0.192 0.000 0.982 66 D CA 1.257 55.191 54.000 -0.110 0.000 0.857 66 D CB -0.536 40.210 40.800 -0.090 0.000 0.934 66 D HN 0.272 nan 8.370 nan 0.000 0.475 67 Y N -0.504 119.738 120.300 -0.097 0.000 2.224 67 Y HA -0.179 4.371 4.550 -0.000 0.000 0.289 67 Y C 1.939 177.837 175.900 -0.004 0.000 1.146 67 Y CA 0.959 59.054 58.100 -0.008 0.000 1.182 67 Y CB -0.483 38.028 38.460 0.084 0.000 0.983 67 Y HN 0.258 nan 8.280 nan 0.000 0.524 68 Y N -6.162 114.127 120.300 -0.017 0.000 2.435 68 Y HA 0.278 4.828 4.550 -0.000 0.000 0.270 68 Y C 1.670 177.439 175.900 -0.218 0.000 1.093 68 Y CA -0.248 57.804 58.100 -0.080 0.000 1.226 68 Y CB -0.682 37.752 38.460 -0.045 0.000 1.289 68 Y HN -0.222 nan 8.280 nan 0.000 0.529 69 M N 1.635 120.686 119.600 -0.915 0.000 2.144 69 M HA -0.048 4.432 4.480 -0.001 0.000 0.260 69 M C -0.872 174.955 176.300 -0.789 0.000 1.067 69 M CA 1.375 56.071 55.300 -1.006 0.000 1.095 69 M CB -2.058 29.454 32.600 -1.814 0.000 1.365 69 M HN 0.218 nan 8.290 nan 0.000 0.406 70 P HA -0.105 nan 4.420 nan 0.000 0.219 70 P C 1.635 178.871 177.300 -0.107 0.000 1.146 70 P CA 1.162 64.108 63.100 -0.257 0.000 0.808 70 P CB -0.356 31.293 31.700 -0.085 0.000 0.779 71 V N -4.525 115.348 119.914 -0.067 0.000 3.129 71 V HA -0.033 4.087 4.120 -0.001 0.000 0.259 71 V C 1.665 177.752 176.094 -0.011 0.000 1.116 71 V CA 1.318 63.634 62.300 0.026 0.000 1.127 71 V CB -0.883 31.007 31.823 0.112 0.000 0.742 71 V HN -0.029 nan 8.190 nan 0.000 0.474 72 I N 0.991 121.512 120.570 -0.082 0.000 2.947 72 I HA 0.387 4.557 4.170 -0.001 0.000 0.263 72 I C 1.758 177.797 176.117 -0.130 0.000 1.130 72 I CA 0.770 61.985 61.300 -0.142 0.000 1.448 72 I CB -1.093 36.857 38.000 -0.082 0.000 1.222 72 I HN 0.351 nan 8.210 nan 0.000 0.453 73 A N 0.872 123.633 122.820 -0.099 0.000 2.531 73 A HA 0.364 4.683 4.320 -0.001 0.000 0.236 73 A C 1.501 179.090 177.584 0.010 0.000 1.062 73 A CA 0.893 52.928 52.037 -0.004 0.000 0.760 73 A CB -0.480 18.591 19.000 0.119 0.000 0.995 73 A HN 0.844 nan 8.150 nan 0.000 0.501 74 G N -0.043 108.765 108.800 0.015 0.000 2.168 74 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.263 74 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.263 74 G C 0.391 175.281 174.900 -0.016 0.000 0.977 74 G CA 0.599 45.705 45.100 0.010 0.000 0.659 74 G HN 1.877 nan 8.290 nan 0.000 0.533 75 C N 1.021 120.286 119.300 -0.059 0.000 2.291 75 C HA 0.681 5.140 4.460 -0.001 0.000 0.322 75 C C 1.955 176.880 174.990 -0.108 0.000 1.205 75 C CA -0.536 58.434 59.018 -0.080 0.000 1.495 75 C CB -0.022 27.638 27.740 -0.133 0.000 2.127 75 C HN 0.519 nan 8.230 nan 0.000 0.452 76 R N 1.775 122.243 120.500 -0.053 0.000 2.091 76 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 76 R C 2.073 178.341 176.300 -0.052 0.000 1.136 76 R CA 1.964 58.036 56.100 -0.047 0.000 0.959 76 R CB -0.084 30.208 30.300 -0.014 0.000 0.856 76 R HN 0.851 nan 8.270 nan 0.000 0.437 77 E N 0.686 120.877 120.200 -0.015 0.000 2.077 77 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 77 E C 1.937 178.501 176.600 -0.060 0.000 0.989 77 E CA 1.218 57.647 56.400 0.048 0.000 0.800 77 E CB -0.012 29.816 29.700 0.214 0.000 0.746 77 E HN 0.370 nan 8.360 nan 0.000 0.452 78 A N 0.977 123.548 122.820 -0.416 0.000 1.898 78 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 78 A C 2.149 179.516 177.584 -0.362 0.000 1.181 78 A CA 1.144 52.640 52.037 -0.901 0.000 0.620 78 A CB -0.540 17.604 19.000 -1.426 0.000 0.819 78 A HN 0.305 nan 8.150 nan 0.000 0.442 79 I N -0.538 119.883 120.570 -0.249 0.000 2.226 79 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 79 I C 2.535 178.584 176.117 -0.113 0.000 1.100 79 I CA 1.886 63.084 61.300 -0.170 0.000 1.374 79 I CB -0.187 37.724 38.000 -0.149 0.000 1.057 79 I HN 0.351 nan 8.210 nan 0.000 0.413 80 K N 1.023 121.380 120.400 -0.072 0.000 2.097 80 K HA -0.206 4.113 4.320 -0.001 0.000 0.205 80 K C 2.367 178.996 176.600 0.049 0.000 1.050 80 K CA 1.213 57.491 56.287 -0.015 0.000 0.938 80 K CB -0.020 32.476 32.500 -0.006 0.000 0.718 80 K HN 0.113 nan 8.250 nan 0.000 0.442 81 R N 1.234 121.764 120.500 0.050 0.000 2.075 81 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 81 R C 2.430 178.830 176.300 0.168 0.000 1.126 81 R CA 1.699 57.878 56.100 0.132 0.000 0.963 81 R CB -0.441 29.972 30.300 0.188 0.000 0.858 81 R HN 0.432 nan 8.270 nan 0.000 0.435 82 I N -1.491 119.132 120.570 0.089 0.000 2.286 82 I HA -0.085 4.084 4.170 -0.001 0.000 0.248 82 I C 2.290 178.484 176.117 0.128 0.000 1.115 82 I CA 1.619 62.978 61.300 0.100 0.000 1.392 82 I CB -0.584 37.440 38.000 0.041 0.000 1.065 82 I HN 0.106 nan 8.210 nan 0.000 0.418 83 A N 0.915 123.779 122.820 0.074 0.000 1.883 83 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 83 A C 2.395 180.117 177.584 0.230 0.000 1.186 83 A CA 2.030 54.122 52.037 0.092 0.000 0.624 83 A CB -1.400 17.609 19.000 0.015 0.000 0.822 83 A HN 0.690 nan 8.150 nan 0.000 0.444 84 Y N 0.698 121.072 120.300 0.124 0.000 2.114 84 Y HA -0.211 4.338 4.550 -0.001 0.000 0.284 84 Y C 2.332 178.348 175.900 0.194 0.000 1.143 84 Y CA 2.353 60.562 58.100 0.182 0.000 1.135 84 Y CB -0.261 38.291 38.460 0.152 0.000 0.980 84 Y HN 0.464 nan 8.280 nan 0.000 0.499 85 E N -0.606 119.754 120.200 0.266 0.000 2.153 85 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 85 E C 1.923 178.510 176.600 -0.022 0.000 0.988 85 E CA 1.090 57.544 56.400 0.089 0.000 0.811 85 E CB -0.430 29.357 29.700 0.145 0.000 0.746 85 E HN 0.555 nan 8.360 nan 0.000 0.466 86 F N 1.286 121.209 119.950 -0.046 0.000 2.095 86 F HA -0.267 4.260 4.527 -0.001 0.000 0.298 86 F C 2.066 177.789 175.800 -0.129 0.000 1.104 86 F CA 1.316 59.281 58.000 -0.059 0.000 1.232 86 F CB -0.256 38.738 39.000 -0.011 0.000 0.987 86 F HN -0.200 nan 8.300 nan 0.000 0.475 87 V N 0.540 120.395 119.914 -0.098 0.000 2.343 87 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 87 V C 2.383 178.146 176.094 -0.551 0.000 1.051 87 V CA 2.228 64.398 62.300 -0.217 0.000 1.036 87 V CB -0.930 30.910 31.823 0.028 0.000 0.654 87 V HN 0.474 nan 8.190 nan 0.000 0.451 88 E N -0.223 119.428 120.200 -0.915 0.000 2.058 88 E HA -0.288 4.062 4.350 -0.001 0.000 0.194 88 E C 2.273 178.432 176.600 -0.734 0.000 0.997 88 E CA 1.861 57.393 56.400 -1.447 0.000 0.801 88 E CB -0.180 28.691 29.700 -1.381 0.000 0.746 88 E HN 0.542 nan 8.360 nan 0.000 0.450 89 M N 0.258 119.547 119.600 -0.519 0.000 2.073 89 M HA -0.216 4.264 4.480 -0.001 0.000 0.258 89 M C 2.122 178.187 176.300 -0.391 0.000 1.070 89 M CA 1.666 56.737 55.300 -0.383 0.000 1.103 89 M CB 0.009 32.399 32.600 -0.351 0.000 1.321 89 M HN -0.039 nan 8.290 nan 0.000 0.405 90 K N -0.145 119.947 120.400 -0.513 0.000 2.097 90 K HA -0.028 4.292 4.320 -0.001 0.000 0.205 90 K C 1.960 178.395 176.600 -0.276 0.000 1.050 90 K CA 1.380 57.419 56.287 -0.412 0.000 0.938 90 K CB -0.634 31.543 32.500 -0.539 0.000 0.718 90 K HN 0.409 nan 8.250 nan 0.000 0.442 91 A N 2.104 124.748 122.820 -0.294 0.000 1.908 91 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 91 A C 2.039 179.521 177.584 -0.171 0.000 1.181 91 A CA 1.718 53.639 52.037 -0.193 0.000 0.627 91 A CB -0.370 18.522 19.000 -0.180 0.000 0.818 91 A HN 0.288 nan 8.150 nan 0.000 0.445 92 K N -0.255 120.016 120.400 -0.215 0.000 2.209 92 K HA -0.124 4.196 4.320 -0.001 0.000 0.204 92 K C 1.515 178.029 176.600 -0.143 0.000 1.048 92 K CA 1.370 57.559 56.287 -0.163 0.000 0.940 92 K CB -0.117 32.279 32.500 -0.173 0.000 0.729 92 K HN 0.619 nan 8.250 nan 0.000 0.451 93 E N -0.344 119.761 120.200 -0.158 0.000 2.482 93 E HA -0.020 4.329 4.350 -0.001 0.000 0.196 93 E C 0.789 177.303 176.600 -0.143 0.000 1.047 93 E CA 0.333 56.646 56.400 -0.144 0.000 0.869 93 E CB 0.265 29.881 29.700 -0.140 0.000 0.836 93 E HN 0.489 nan 8.360 nan 0.000 0.520 94 G N 1.219 109.944 108.800 -0.125 0.000 2.143 94 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.249 94 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.249 94 G C 0.337 175.193 174.900 -0.074 0.000 0.981 94 G CA 0.134 45.170 45.100 -0.107 0.000 0.665 94 G HN 0.161 nan 8.290 nan 0.000 0.528 95 V N 1.201 121.072 119.914 -0.073 0.000 2.521 95 V HA 0.331 4.451 4.120 -0.001 0.000 0.286 95 V C 1.782 177.874 176.094 -0.003 0.000 1.034 95 V CA 0.509 62.792 62.300 -0.029 0.000 1.045 95 V CB 1.451 33.241 31.823 -0.055 0.000 0.974 95 V HN 0.920 nan 8.190 nan 0.000 0.480 96 V N 2.243 122.186 119.914 0.050 0.000 3.621 96 V HA 0.372 4.492 4.120 -0.001 0.000 0.263 96 V C 0.056 176.250 176.094 0.167 0.000 1.272 96 V CA 0.229 62.574 62.300 0.075 0.000 1.080 96 V CB -0.302 31.553 31.823 0.054 0.000 0.816 96 V HN 0.671 nan 8.190 nan 0.000 0.451 97 Y N 0.038 120.354 120.300 0.028 0.000 2.433 97 Y HA 0.752 5.301 4.550 -0.001 0.000 0.337 97 Y C -1.292 174.648 175.900 0.065 0.000 1.026 97 Y CA -1.272 56.853 58.100 0.042 0.000 1.037 97 Y CB 2.139 40.616 38.460 0.027 0.000 1.245 97 Y HN -0.026 nan 8.280 nan 0.000 0.443 98 V N 6.123 125.626 119.914 -0.685 0.000 2.760 98 V HA 0.550 4.670 4.120 -0.001 0.000 0.309 98 V C -1.501 174.239 176.094 -0.590 0.000 1.077 98 V CA -0.473 61.541 62.300 -0.475 0.000 0.910 98 V CB 2.170 33.963 31.823 -0.050 0.000 1.008 98 V HN 0.876 nan 8.190 nan 0.000 0.424 99 E N 4.049 124.029 120.200 -0.367 0.000 2.151 99 E HA 0.564 4.913 4.350 -0.001 0.000 0.275 99 E C -1.203 175.375 176.600 -0.036 0.000 0.936 99 E CA -0.421 55.885 56.400 -0.158 0.000 0.777 99 E CB 2.391 32.058 29.700 -0.056 0.000 1.108 99 E HN 0.519 nan 8.360 nan 0.000 0.401 100 V N 4.274 124.164 119.914 -0.041 0.000 2.555 100 V HA 0.541 4.660 4.120 -0.001 0.000 0.302 100 V C -0.767 175.288 176.094 -0.067 0.000 1.038 100 V CA -0.562 61.661 62.300 -0.128 0.000 0.887 100 V CB 1.300 32.806 31.823 -0.529 0.000 0.991 100 V HN 0.725 nan 8.190 nan 0.000 0.434 101 R N 5.345 125.794 120.500 -0.086 0.000 2.832 101 R HA 0.831 5.171 4.340 -0.001 0.000 0.271 101 R C -1.650 174.720 176.300 0.116 0.000 0.996 101 R CA -0.587 55.476 56.100 -0.062 0.000 0.977 101 R CB 1.991 32.156 30.300 -0.225 0.000 1.168 101 R HN 0.823 nan 8.270 nan 0.000 0.482 102 Y N -2.554 117.728 120.300 -0.030 0.000 2.702 102 Y HA 0.417 4.967 4.550 -0.000 0.000 0.336 102 Y C -1.443 174.496 175.900 0.064 0.000 1.203 102 Y CA -1.276 56.853 58.100 0.050 0.000 1.072 102 Y CB 1.162 39.633 38.460 0.019 0.000 1.327 102 Y HN 0.650 nan 8.280 nan 0.000 0.456 103 S N 3.552 119.347 115.700 0.158 0.000 2.411 103 S HA 0.367 4.837 4.470 -0.001 0.000 0.294 103 S C -1.707 172.994 174.600 0.168 0.000 1.115 103 S CA -1.473 56.791 58.200 0.107 0.000 1.071 103 S CB 0.689 64.011 63.200 0.204 0.000 0.967 103 S HN 0.597 nan 8.310 nan 0.000 0.488 104 P HA -0.111 nan 4.420 nan 0.000 0.218 104 P C 0.642 177.850 177.300 -0.152 0.000 1.149 104 P CA 1.318 64.440 63.100 0.037 0.000 0.817 104 P CB -0.068 31.552 31.700 -0.134 0.000 0.785 105 H N -0.067 118.843 119.070 -0.266 0.000 2.387 105 H HA -0.004 4.552 4.556 -0.001 0.000 0.299 105 H C 1.996 177.102 175.328 -0.371 0.000 1.090 105 H CA 1.023 56.717 56.048 -0.590 0.000 1.332 105 H CB -0.938 27.946 29.762 -1.463 0.000 1.386 105 H HN 0.062 nan 8.280 nan 0.000 0.516 106 L N 0.163 121.387 121.223 0.003 0.000 2.622 106 L HA -0.043 4.297 4.340 -0.001 0.000 0.233 106 L C 0.933 178.011 176.870 0.348 0.000 1.156 106 L CA 0.504 55.470 54.840 0.210 0.000 0.866 106 L CB 0.064 42.322 42.059 0.331 0.000 0.980 106 L HN 0.325 nan 8.230 nan 0.000 0.448 107 L N -0.932 120.391 121.223 0.167 0.000 2.766 107 L HA 0.343 4.683 4.340 -0.001 0.000 0.242 107 L C 0.864 177.766 176.870 0.053 0.000 1.136 107 L CA -0.369 54.543 54.840 0.120 0.000 0.933 107 L CB 0.356 42.446 42.059 0.052 0.000 1.241 107 L HN 0.070 nan 8.230 nan 0.000 0.522 108 A N 0.712 123.543 122.820 0.018 0.000 2.282 108 A HA 0.446 4.765 4.320 -0.001 0.000 0.319 108 A C 0.400 177.994 177.584 0.017 0.000 1.121 108 A CA -0.452 51.569 52.037 -0.027 0.000 0.836 108 A CB 0.320 19.249 19.000 -0.118 0.000 1.146 108 A HN 0.472 nan 8.150 nan 0.000 0.494 109 N N -0.443 118.265 118.700 0.012 0.000 2.240 109 N HA 0.202 4.942 4.740 -0.001 0.000 0.240 109 N C -0.475 175.046 175.510 0.018 0.000 1.277 109 N CA 0.060 53.130 53.050 0.033 0.000 0.873 109 N CB 0.818 39.334 38.487 0.049 0.000 1.222 109 N HN 0.402 nan 8.380 nan 0.000 0.507 110 S N 0.808 116.507 115.700 -0.001 0.000 2.546 110 S HA 0.263 4.732 4.470 -0.001 0.000 0.272 110 S C -0.744 173.849 174.600 -0.011 0.000 1.140 110 S CA -0.459 57.741 58.200 0.000 0.000 0.920 110 S CB 0.819 64.018 63.200 -0.001 0.000 1.083 110 S HN 0.199 nan 8.310 nan 0.000 0.476 111 K N 0.532 120.935 120.400 0.006 0.000 3.071 111 K HA -0.143 4.176 4.320 -0.001 0.000 0.265 111 K C -0.697 175.912 176.600 0.015 0.000 1.060 111 K CA 0.841 57.135 56.287 0.011 0.000 0.767 111 K CB -2.221 30.279 32.500 0.001 0.000 1.241 111 K HN 0.741 nan 8.250 nan 0.000 0.486 112 V N 0.450 120.381 119.914 0.029 0.000 2.623 112 V HA 0.529 4.649 4.120 -0.001 0.000 0.304 112 V C -1.581 174.600 176.094 0.144 0.000 1.054 112 V CA -0.758 61.573 62.300 0.051 0.000 0.882 112 V CB 2.225 34.007 31.823 -0.067 0.000 1.002 112 V HN 0.305 nan 8.190 nan 0.000 0.424 113 D N 7.552 128.118 120.400 0.276 0.000 2.787 113 D HA 0.694 5.334 4.640 -0.001 0.000 0.246 113 D C -2.754 173.753 176.300 0.345 0.000 1.150 113 D CA -1.351 52.793 54.000 0.241 0.000 0.864 113 D CB 3.174 44.056 40.800 0.137 0.000 1.481 113 D HN 0.448 nan 8.370 nan 0.000 0.509 114 P HA 0.185 nan 4.420 nan 0.000 0.274 114 P C -0.414 176.992 177.300 0.177 0.000 1.231 114 P CA -0.652 62.522 63.100 0.124 0.000 0.790 114 P CB 0.541 32.257 31.700 0.027 0.000 0.951 115 M N 3.874 123.530 119.600 0.093 0.000 2.303 115 M HA 0.190 4.669 4.480 -0.001 0.000 0.350 115 M C -2.287 174.018 176.300 0.007 0.000 1.518 115 M CA -1.596 53.744 55.300 0.065 0.000 1.070 115 M CB -0.646 31.985 32.600 0.051 0.000 1.910 115 M HN 0.138 nan 8.290 nan 0.000 0.458 116 P HA 0.094 nan 4.420 nan 0.000 0.271 116 P C -0.970 176.191 177.300 -0.231 0.000 1.218 116 P CA 0.304 63.184 63.100 -0.366 0.000 0.780 116 P CB 0.088 31.530 31.700 -0.431 0.000 0.901 117 W N 0.739 122.071 121.300 0.054 0.000 4.551 117 W HA -0.267 4.393 4.660 0.000 0.000 0.343 117 W C 0.195 176.729 176.519 0.025 0.000 1.269 117 W CA 0.455 57.815 57.345 0.025 0.000 0.799 117 W CB -3.259 26.210 29.460 0.016 0.000 2.352 117 W HN 0.539 nan 8.180 nan 0.000 1.462 118 N N -0.863 117.915 118.700 0.130 0.000 2.708 118 N HA -0.253 4.486 4.740 -0.001 0.000 0.249 118 N C 0.284 175.859 175.510 0.109 0.000 1.097 118 N CA 1.289 54.398 53.050 0.098 0.000 0.710 118 N CB -0.675 37.865 38.487 0.089 0.000 1.032 118 N HN 0.563 nan 8.380 nan 0.000 0.551 119 Q N 0.119 119.996 119.800 0.127 0.000 2.394 119 Q HA 0.210 4.549 4.340 -0.001 0.000 0.248 119 Q C 0.230 176.275 176.000 0.074 0.000 0.992 119 Q CA 0.171 56.041 55.803 0.112 0.000 0.888 119 Q CB 0.655 29.471 28.738 0.131 0.000 1.257 119 Q HN 0.158 nan 8.270 nan 0.000 0.462 120 T N 2.034 116.625 114.554 0.062 0.000 2.907 120 T HA 0.047 4.396 4.350 -0.001 0.000 0.298 120 T C 0.027 174.753 174.700 0.044 0.000 1.017 120 T CA -0.746 61.382 62.100 0.047 0.000 1.118 120 T CB 0.552 69.443 68.868 0.040 0.000 0.948 120 T HN 0.351 nan 8.240 nan 0.000 0.531 121 E N 1.473 121.695 120.200 0.037 0.000 2.652 121 E HA 0.103 4.453 4.350 -0.001 0.000 0.255 121 E C 0.648 177.266 176.600 0.028 0.000 0.952 121 E CA 0.421 56.840 56.400 0.031 0.000 0.947 121 E CB 0.559 30.275 29.700 0.026 0.000 0.912 121 E HN 0.842 nan 8.360 nan 0.000 0.489 122 G N 2.137 110.953 108.800 0.026 0.000 3.234 122 G HA2 0.191 4.150 3.960 -0.001 0.000 0.159 122 G HA3 0.191 4.150 3.960 -0.001 0.000 0.159 122 G C -0.145 174.764 174.900 0.015 0.000 1.175 122 G CA -0.295 44.818 45.100 0.022 0.000 0.900 122 G HN 0.399 nan 8.290 nan 0.000 0.621 123 D N -0.349 120.057 120.400 0.011 0.000 2.540 123 D HA 0.199 4.839 4.640 -0.001 0.000 0.229 123 D C -0.093 176.207 176.300 0.000 0.000 1.250 123 D CA 0.202 54.206 54.000 0.007 0.000 0.817 123 D CB 1.697 42.502 40.800 0.009 0.000 1.060 123 D HN 0.017 nan 8.370 nan 0.000 0.508 124 V N 2.540 122.452 119.914 -0.004 0.000 2.294 124 V HA 0.207 4.327 4.120 -0.001 0.000 0.272 124 V C 0.850 176.926 176.094 -0.030 0.000 1.027 124 V CA -0.525 61.766 62.300 -0.016 0.000 0.823 124 V CB 0.884 32.697 31.823 -0.017 0.000 1.030 124 V HN 0.123 nan 8.190 nan 0.000 0.457 125 T N 3.072 117.604 114.554 -0.037 0.000 2.849 125 T HA 0.335 4.684 4.350 -0.001 0.000 0.284 125 T C -1.684 172.949 174.700 -0.112 0.000 1.004 125 T CA -1.756 60.305 62.100 -0.064 0.000 1.021 125 T CB 1.584 70.426 68.868 -0.044 0.000 1.013 125 T HN 0.318 nan 8.240 nan 0.000 0.527 126 P HA -0.095 nan 4.420 nan 0.000 0.216 126 P C 1.168 178.358 177.300 -0.184 0.000 1.150 126 P CA 1.232 64.136 63.100 -0.326 0.000 0.837 126 P CB -0.057 31.208 31.700 -0.725 0.000 0.786 127 D N -0.569 119.773 120.400 -0.098 0.000 2.116 127 D HA -0.206 4.434 4.640 -0.001 0.000 0.193 127 D C 1.495 177.812 176.300 0.028 0.000 0.998 127 D CA 1.509 55.529 54.000 0.033 0.000 0.836 127 D CB -0.657 40.183 40.800 0.066 0.000 0.951 127 D HN 0.007 nan 8.370 nan 0.000 0.449 128 D N -0.438 119.959 120.400 -0.006 0.000 2.144 128 D HA -0.118 4.522 4.640 -0.001 0.000 0.199 128 D C 2.326 178.599 176.300 -0.046 0.000 0.984 128 D CA 0.637 54.631 54.000 -0.010 0.000 0.834 128 D CB -0.276 40.515 40.800 -0.015 0.000 0.955 128 D HN 0.188 nan 8.370 nan 0.000 0.465 129 V N 0.897 120.774 119.914 -0.062 0.000 2.287 129 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 129 V C 2.718 178.766 176.094 -0.076 0.000 1.053 129 V CA 1.203 63.464 62.300 -0.064 0.000 1.027 129 V CB -0.565 31.239 31.823 -0.032 0.000 0.646 129 V HN 0.061 nan 8.190 nan 0.000 0.447 130 V N 0.430 120.285 119.914 -0.099 0.000 2.343 130 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 130 V C 2.374 178.235 176.094 -0.388 0.000 1.051 130 V CA 2.358 64.521 62.300 -0.228 0.000 1.036 130 V CB -0.785 30.762 31.823 -0.460 0.000 0.654 130 V HN 0.627 nan 8.190 nan 0.000 0.451 131 D N 0.257 120.455 120.400 -0.337 0.000 2.104 131 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 131 D C 2.018 178.262 176.300 -0.094 0.000 0.994 131 D CA 1.620 55.517 54.000 -0.171 0.000 0.830 131 D CB -0.220 40.592 40.800 0.021 0.000 0.959 131 D HN 0.392 nan 8.370 nan 0.000 0.452 132 L N -0.437 120.736 121.223 -0.083 0.000 2.017 132 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 132 L C 2.703 179.525 176.870 -0.079 0.000 1.073 132 L CA 0.627 55.428 54.840 -0.065 0.000 0.745 132 L CB -0.465 41.552 42.059 -0.069 0.000 0.894 132 L HN 0.005 nan 8.230 nan 0.000 0.432 133 V N 0.300 120.135 119.914 -0.132 0.000 2.287 133 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 133 V C 2.079 178.133 176.094 -0.066 0.000 1.053 133 V CA 2.327 64.535 62.300 -0.153 0.000 1.027 133 V CB -0.889 30.747 31.823 -0.310 0.000 0.646 133 V HN 0.513 nan 8.190 nan 0.000 0.447 134 N N -0.301 118.358 118.700 -0.069 0.000 2.060 134 N HA -0.291 4.449 4.740 -0.001 0.000 0.195 134 N C 1.942 177.467 175.510 0.025 0.000 1.028 134 N CA 1.744 54.782 53.050 -0.020 0.000 0.861 134 N CB -0.217 38.242 38.487 -0.046 0.000 1.029 134 N HN 0.602 nan 8.380 nan 0.000 0.428 135 Q N 0.006 119.816 119.800 0.017 0.000 2.030 135 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 135 Q C 2.454 178.503 176.000 0.081 0.000 0.986 135 Q CA 1.490 57.320 55.803 0.044 0.000 0.843 135 Q CB -0.341 28.413 28.738 0.027 0.000 0.904 135 Q HN 0.472 nan 8.270 nan 0.000 0.420 136 G N 0.940 109.791 108.800 0.085 0.000 2.418 136 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.217 136 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.217 136 G C 1.425 176.452 174.900 0.212 0.000 1.158 136 G CA 0.621 45.827 45.100 0.175 0.000 0.771 136 G HN 0.157 nan 8.290 nan 0.000 0.545 137 L N -0.223 121.080 121.223 0.133 0.000 2.046 137 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 137 L C 3.162 180.115 176.870 0.139 0.000 1.077 137 L CA 1.327 56.250 54.840 0.139 0.000 0.747 137 L CB -0.548 41.573 42.059 0.103 0.000 0.896 137 L HN 0.284 nan 8.230 nan 0.000 0.432 138 Q N -0.093 119.778 119.800 0.118 0.000 2.079 138 Q HA -0.208 4.132 4.340 -0.001 0.000 0.200 138 Q C 2.126 178.194 176.000 0.114 0.000 0.974 138 Q CA 1.444 57.310 55.803 0.105 0.000 0.840 138 Q CB -0.082 28.708 28.738 0.086 0.000 0.898 138 Q HN 0.525 nan 8.270 nan 0.000 0.430 139 E N 0.114 120.406 120.200 0.152 0.000 2.077 139 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 139 E C 2.074 178.804 176.600 0.217 0.000 0.989 139 E CA 0.932 57.449 56.400 0.196 0.000 0.800 139 E CB -0.236 29.602 29.700 0.230 0.000 0.746 139 E HN 0.477 nan 8.360 nan 0.000 0.452 140 G N 1.307 110.237 108.800 0.216 0.000 2.418 140 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 140 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 140 G C 1.316 176.275 174.900 0.100 0.000 1.158 140 G CA 0.680 45.806 45.100 0.044 0.000 0.771 140 G HN 0.202 nan 8.290 nan 0.000 0.545 141 E N -0.325 119.939 120.200 0.107 0.000 2.070 141 E HA -0.232 4.118 4.350 -0.001 0.000 0.197 141 E C 2.533 179.154 176.600 0.035 0.000 1.004 141 E CA 1.395 57.850 56.400 0.091 0.000 0.805 141 E CB -0.096 29.660 29.700 0.093 0.000 0.744 141 E HN 0.397 nan 8.360 nan 0.000 0.451 142 Q N 0.566 120.371 119.800 0.008 0.000 2.050 142 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 142 Q C 1.897 177.825 176.000 -0.121 0.000 0.980 142 Q CA 1.938 57.724 55.803 -0.028 0.000 0.840 142 Q CB -0.367 28.368 28.738 -0.006 0.000 0.898 142 Q HN 0.250 nan 8.270 nan 0.000 0.424 143 A N -1.075 121.584 122.820 -0.270 0.000 1.930 143 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 143 A C 1.304 178.463 177.584 -0.708 0.000 1.175 143 A CA 1.467 53.134 52.037 -0.617 0.000 0.627 143 A CB -0.445 17.918 19.000 -1.062 0.000 0.815 143 A HN 0.449 nan 8.150 nan 0.000 0.443 144 F N -1.615 118.303 119.950 -0.054 0.000 2.682 144 F HA 0.414 4.940 4.527 -0.002 0.000 0.308 144 F C 1.645 177.419 175.800 -0.042 0.000 1.093 144 F CA -0.041 57.918 58.000 -0.068 0.000 1.244 144 F CB -0.045 38.879 39.000 -0.127 0.000 1.052 144 F HN 0.298 nan 8.300 nan 0.000 0.573 145 G N 2.185 111.036 108.800 0.086 0.000 2.198 145 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 145 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 145 G C 0.132 175.074 174.900 0.070 0.000 1.025 145 G CA 0.571 45.707 45.100 0.060 0.000 0.769 145 G HN 0.548 nan 8.290 nan 0.000 0.507 146 I N -3.821 116.803 120.570 0.090 0.000 2.957 146 I HA 0.851 5.021 4.170 -0.001 0.000 0.310 146 I C -0.129 176.055 176.117 0.112 0.000 1.063 146 I CA -1.746 59.605 61.300 0.085 0.000 1.033 146 I CB 1.938 39.971 38.000 0.056 0.000 1.230 146 I HN -0.013 nan 8.210 nan 0.000 0.447 147 K N 3.170 123.664 120.400 0.156 0.000 2.201 147 K HA 0.674 4.994 4.320 -0.001 0.000 0.278 147 K C -1.573 175.154 176.600 0.212 0.000 1.027 147 K CA -0.535 55.887 56.287 0.224 0.000 0.909 147 K CB 1.481 34.167 32.500 0.310 0.000 1.062 147 K HN 0.624 nan 8.250 nan 0.000 0.465 148 V N 5.096 125.112 119.914 0.169 0.000 2.638 148 V HA 0.536 4.655 4.120 -0.001 0.000 0.306 148 V C -0.524 175.644 176.094 0.123 0.000 1.052 148 V CA -1.030 61.325 62.300 0.092 0.000 0.885 148 V CB 1.693 33.597 31.823 0.134 0.000 0.999 148 V HN 0.794 nan 8.190 nan 0.000 0.424 149 R N 1.907 122.446 120.500 0.064 0.000 2.888 149 R HA 0.824 5.164 4.340 -0.001 0.000 0.266 149 R C -0.470 175.873 176.300 0.073 0.000 1.020 149 R CA -0.634 55.540 56.100 0.123 0.000 0.963 149 R CB 2.311 32.751 30.300 0.234 0.000 1.197 149 R HN 0.878 nan 8.270 nan 0.000 0.481 150 S N 0.045 115.802 115.700 0.094 0.000 2.600 150 S HA 0.745 5.215 4.470 -0.001 0.000 0.300 150 S C -0.155 174.475 174.600 0.051 0.000 1.087 150 S CA -0.802 57.445 58.200 0.078 0.000 0.965 150 S CB 1.638 64.921 63.200 0.138 0.000 1.089 150 S HN 0.448 nan 8.310 nan 0.000 0.496 151 I N 1.437 121.999 120.570 -0.013 0.000 2.533 151 I HA 0.352 4.522 4.170 -0.001 0.000 0.290 151 I C -1.134 174.856 176.117 -0.211 0.000 1.056 151 I CA -0.840 60.429 61.300 -0.052 0.000 1.057 151 I CB 1.920 39.918 38.000 -0.002 0.000 1.240 151 I HN 0.510 nan 8.210 nan 0.000 0.423 152 L N 5.036 126.128 121.223 -0.218 0.000 2.289 152 L HA 0.473 4.813 4.340 -0.001 0.000 0.285 152 L C -0.686 176.094 176.870 -0.151 0.000 1.049 152 L CA -0.624 54.025 54.840 -0.319 0.000 0.804 152 L CB 1.582 43.486 42.059 -0.259 0.000 1.195 152 L HN 0.584 nan 8.230 nan 0.000 0.428 153 C N 2.002 121.229 119.300 -0.122 0.000 2.307 153 C HA 0.376 4.836 4.460 -0.001 0.000 0.340 153 C C 0.763 175.807 174.990 0.090 0.000 1.275 153 C CA -1.023 58.009 59.018 0.022 0.000 1.811 153 C CB 0.149 27.929 27.740 0.066 0.000 2.372 153 C HN 0.821 nan 8.230 nan 0.000 0.531 154 C N 4.900 124.272 119.300 0.120 0.000 2.657 154 C HA 0.389 4.849 4.460 -0.001 0.000 0.404 154 C C 0.445 175.503 174.990 0.114 0.000 1.291 154 C CA -0.323 58.793 59.018 0.163 0.000 2.218 154 C CB -0.225 27.627 27.740 0.187 0.000 2.687 154 C HN 0.731 nan 8.230 nan 0.000 0.634 155 M N 2.016 121.696 119.600 0.134 0.000 2.311 155 M HA 0.319 4.799 4.480 -0.001 0.000 0.325 155 M C 1.063 177.378 176.300 0.026 0.000 1.061 155 M CA -0.223 55.115 55.300 0.063 0.000 0.957 155 M CB 1.237 33.872 32.600 0.059 0.000 1.646 155 M HN 0.731 nan 8.290 nan 0.000 0.434 156 R N 1.078 121.607 120.500 0.048 0.000 2.091 156 R HA -0.172 4.168 4.340 -0.001 0.000 0.238 156 R C 1.762 178.269 176.300 0.345 0.000 1.136 156 R CA 1.796 57.964 56.100 0.112 0.000 0.959 156 R CB -0.268 30.057 30.300 0.042 0.000 0.856 156 R HN 0.704 nan 8.270 nan 0.000 0.437 157 H N -1.013 118.139 119.070 0.137 0.000 2.555 157 H HA 0.013 4.568 4.556 -0.001 0.000 0.269 157 H C 0.307 175.579 175.328 -0.093 0.000 0.988 157 H CA 0.567 56.661 56.048 0.077 0.000 1.178 157 H CB 0.254 29.993 29.762 -0.038 0.000 1.373 157 H HN 0.054 nan 8.280 nan 0.000 0.588 158 Q N 1.567 120.985 119.800 -0.637 0.000 2.928 158 Q HA 0.249 4.589 4.340 -0.001 0.000 0.353 158 Q C -2.138 173.554 176.000 -0.512 0.000 0.870 158 Q CA -2.003 53.278 55.803 -0.870 0.000 0.963 158 Q CB 1.275 28.975 28.738 -1.730 0.000 1.419 158 Q HN 0.176 nan 8.270 nan 0.000 0.396 159 P HA -0.102 nan 4.420 nan 0.000 0.234 159 P C 0.724 177.849 177.300 -0.293 0.000 1.167 159 P CA 0.807 63.605 63.100 -0.503 0.000 0.763 159 P CB 0.281 31.543 31.700 -0.731 0.000 0.835 160 S N -2.659 112.842 115.700 -0.331 0.000 2.507 160 S HA -0.088 4.382 4.470 -0.001 0.000 0.235 160 S C 1.369 175.959 174.600 -0.016 0.000 0.988 160 S CA 0.205 58.288 58.200 -0.195 0.000 0.944 160 S CB -1.041 62.023 63.200 -0.226 0.000 0.762 160 S HN 0.116 nan 8.310 nan 0.000 0.526 161 W N 1.819 122.985 121.300 -0.225 0.000 2.996 161 W HA 0.463 5.123 4.660 -0.000 0.000 0.270 161 W C 2.263 178.690 176.519 -0.154 0.000 1.280 161 W CA -0.870 56.261 57.345 -0.356 0.000 1.549 161 W CB -1.196 27.806 29.460 -0.763 0.000 1.079 161 W HN 0.299 nan 8.180 nan 0.000 0.629 162 S N 1.086 116.881 115.700 0.157 0.000 2.368 162 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 162 S C 1.970 176.647 174.600 0.129 0.000 1.030 162 S CA 1.020 59.334 58.200 0.189 0.000 0.999 162 S CB -0.510 62.862 63.200 0.286 0.000 0.844 162 S HN 0.155 nan 8.310 nan 0.000 0.459 163 L N 1.268 122.549 121.223 0.096 0.000 2.093 163 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 163 L C 2.568 179.484 176.870 0.077 0.000 1.085 163 L CA 1.157 56.037 54.840 0.067 0.000 0.755 163 L CB -0.520 41.568 42.059 0.048 0.000 0.904 163 L HN 0.351 nan 8.230 nan 0.000 0.435 164 E N -0.376 119.897 120.200 0.121 0.000 2.077 164 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 164 E C 2.284 178.973 176.600 0.147 0.000 0.989 164 E CA 1.352 57.841 56.400 0.150 0.000 0.800 164 E CB -0.082 29.772 29.700 0.257 0.000 0.746 164 E HN 0.274 nan 8.360 nan 0.000 0.452 165 V N 1.559 121.586 119.914 0.188 0.000 2.287 165 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 165 V C 2.363 178.475 176.094 0.030 0.000 1.053 165 V CA 1.545 63.918 62.300 0.123 0.000 1.027 165 V CB -0.449 31.452 31.823 0.130 0.000 0.646 165 V HN 0.243 nan 8.190 nan 0.000 0.447 166 L N 0.313 121.540 121.223 0.006 0.000 2.013 166 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 166 L C 2.492 179.347 176.870 -0.024 0.000 1.073 166 L CA 2.037 56.850 54.840 -0.044 0.000 0.753 166 L CB -0.849 41.179 42.059 -0.050 0.000 0.890 166 L HN 0.290 nan 8.230 nan 0.000 0.432 167 E N -0.236 119.965 120.200 0.002 0.000 2.110 167 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 167 E C 2.333 178.936 176.600 0.005 0.000 0.988 167 E CA 1.493 57.892 56.400 -0.003 0.000 0.804 167 E CB -0.421 29.283 29.700 0.006 0.000 0.745 167 E HN 0.558 nan 8.360 nan 0.000 0.458 168 L N 0.009 121.256 121.223 0.040 0.000 2.093 168 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 168 L C 2.632 179.583 176.870 0.135 0.000 1.085 168 L CA 0.786 55.695 54.840 0.115 0.000 0.755 168 L CB -0.412 41.715 42.059 0.114 0.000 0.904 168 L HN 0.159 nan 8.230 nan 0.000 0.435 169 C N -0.017 119.310 119.300 0.045 0.000 2.425 169 C HA -0.152 4.307 4.460 -0.001 0.000 0.277 169 C C 2.780 177.775 174.990 0.008 0.000 1.280 169 C CA 0.746 59.776 59.018 0.020 0.000 1.744 169 C CB -0.725 26.984 27.740 -0.051 0.000 1.989 169 C HN 0.438 nan 8.230 nan 0.000 0.491 170 K N 0.944 121.331 120.400 -0.021 0.000 2.031 170 K HA -0.145 4.175 4.320 -0.001 0.000 0.205 170 K C 2.189 178.752 176.600 -0.061 0.000 1.049 170 K CA 1.117 57.378 56.287 -0.045 0.000 0.939 170 K CB -0.198 32.270 32.500 -0.054 0.000 0.717 170 K HN 0.437 nan 8.250 nan 0.000 0.438 171 K N 0.109 120.452 120.400 -0.095 0.000 2.097 171 K HA -0.141 4.178 4.320 -0.001 0.000 0.206 171 K C 0.636 177.031 176.600 -0.342 0.000 1.049 171 K CA 1.389 57.525 56.287 -0.252 0.000 0.933 171 K CB 0.112 32.398 32.500 -0.356 0.000 0.717 171 K HN 0.138 nan 8.250 nan 0.000 0.442 172 Y N 0.792 121.086 120.300 -0.011 0.000 2.658 172 Y HA 0.207 4.757 4.550 -0.001 0.000 0.276 172 Y C -0.094 175.811 175.900 0.009 0.000 1.167 172 Y CA -0.929 57.173 58.100 0.004 0.000 1.230 172 Y CB 0.018 38.484 38.460 0.010 0.000 1.144 172 Y HN 0.010 nan 8.280 nan 0.000 0.529 173 N N 2.112 120.864 118.700 0.087 0.000 2.374 173 N HA -0.103 4.636 4.740 -0.001 0.000 0.269 173 N C 0.560 176.118 175.510 0.080 0.000 1.310 173 N CA 1.065 54.152 53.050 0.061 0.000 0.877 173 N CB 0.378 38.871 38.487 0.010 0.000 1.096 173 N HN 0.370 nan 8.380 nan 0.000 0.484 174 Q N 0.727 120.587 119.800 0.101 0.000 2.284 174 Q HA -0.229 4.110 4.340 -0.001 0.000 0.205 174 Q C -0.779 175.292 176.000 0.118 0.000 0.682 174 Q CA 1.254 57.125 55.803 0.112 0.000 1.401 174 Q CB -0.939 27.855 28.738 0.093 0.000 1.643 174 Q HN 0.717 nan 8.270 nan 0.000 0.717 175 K N 0.230 120.711 120.400 0.135 0.000 3.098 175 K HA 0.261 4.581 4.320 -0.001 0.000 0.170 175 K C 0.543 177.254 176.600 0.186 0.000 1.106 175 K CA 0.418 56.792 56.287 0.145 0.000 0.864 175 K CB 0.872 33.451 32.500 0.132 0.000 1.047 175 K HN 0.218 nan 8.250 nan 0.000 0.609 176 T N -3.412 111.219 114.554 0.128 0.000 3.129 176 T HA 0.151 4.500 4.350 -0.001 0.000 0.267 176 T C 0.600 175.372 174.700 0.120 0.000 1.018 176 T CA -0.176 61.994 62.100 0.118 0.000 0.903 176 T CB 0.109 69.037 68.868 0.100 0.000 1.067 176 T HN -0.084 nan 8.240 nan 0.000 0.549 177 V N 3.392 123.377 119.914 0.119 0.000 2.455 177 V HA 0.251 4.371 4.120 -0.001 0.000 0.273 177 V C 1.523 177.678 176.094 0.102 0.000 1.045 177 V CA -0.223 62.132 62.300 0.092 0.000 0.976 177 V CB 0.966 32.835 31.823 0.077 0.000 0.993 177 V HN 0.487 nan 8.190 nan 0.000 0.475 178 V N 1.734 121.719 119.914 0.119 0.000 3.661 178 V HA 0.809 4.929 4.120 -0.001 0.000 0.271 178 V C 0.538 176.679 176.094 0.078 0.000 1.315 178 V CA 0.688 63.087 62.300 0.166 0.000 1.072 178 V CB -0.012 31.979 31.823 0.281 0.000 0.830 178 V HN 0.965 nan 8.190 nan 0.000 0.443 179 A N 0.107 122.926 122.820 -0.001 0.000 2.566 179 A HA 0.783 5.103 4.320 -0.001 0.000 0.290 179 A C -1.206 176.311 177.584 -0.112 0.000 1.071 179 A CA -0.488 51.456 52.037 -0.155 0.000 0.658 179 A CB 1.600 20.407 19.000 -0.321 0.000 1.285 179 A HN 0.300 nan 8.150 nan 0.000 0.427 180 M N 1.005 120.506 119.600 -0.165 0.000 2.436 180 M HA 0.591 5.070 4.480 -0.001 0.000 0.331 180 M C -1.267 175.019 176.300 -0.023 0.000 1.135 180 M CA -0.313 54.898 55.300 -0.147 0.000 0.987 180 M CB 1.579 33.991 32.600 -0.313 0.000 1.687 180 M HN 0.885 nan 8.290 nan 0.000 0.445 181 D N 2.735 123.175 120.400 0.067 0.000 2.493 181 D HA 0.615 5.254 4.640 -0.001 0.000 0.239 181 D C -2.065 174.399 176.300 0.273 0.000 1.049 181 D CA -0.490 53.638 54.000 0.212 0.000 1.008 181 D CB 1.916 42.805 40.800 0.148 0.000 1.398 181 D HN 0.500 nan 8.370 nan 0.000 0.513 182 L N 1.760 123.156 121.223 0.289 0.000 2.372 182 L HA 0.869 5.208 4.340 -0.001 0.000 0.274 182 L C -1.214 175.728 176.870 0.120 0.000 0.988 182 L CA -0.247 54.672 54.840 0.132 0.000 0.833 182 L CB 0.857 42.900 42.059 -0.027 0.000 1.236 182 L HN 0.562 nan 8.230 nan 0.000 0.410 183 A N 2.912 125.737 122.820 0.008 0.000 2.443 183 A HA 1.051 5.371 4.320 -0.001 0.000 0.278 183 A C 0.262 177.801 177.584 -0.075 0.000 1.252 183 A CA -0.163 51.764 52.037 -0.182 0.000 0.816 183 A CB 0.800 19.738 19.000 -0.103 0.000 1.369 183 A HN 1.865 nan 8.150 nan 0.000 0.446 184 G N -0.571 108.186 108.800 -0.071 0.000 2.472 184 G HA2 0.139 4.099 3.960 -0.001 0.000 0.205 184 G HA3 0.139 4.099 3.960 -0.001 0.000 0.205 184 G C -0.866 174.069 174.900 0.058 0.000 1.270 184 G CA 0.160 45.284 45.100 0.041 0.000 0.974 184 G HN 1.235 nan 8.290 nan 0.000 0.542 185 D N 0.708 121.156 120.400 0.079 0.000 2.422 185 D HA 0.307 4.946 4.640 -0.001 0.000 0.227 185 D C 1.303 177.634 176.300 0.051 0.000 1.190 185 D CA 0.169 54.211 54.000 0.069 0.000 0.905 185 D CB 0.794 41.621 40.800 0.045 0.000 1.034 185 D HN 0.534 nan 8.370 nan 0.000 0.507 186 E N 1.700 121.931 120.200 0.052 0.000 2.333 186 E HA -0.158 4.192 4.350 -0.001 0.000 0.198 186 E C 1.213 177.817 176.600 0.007 0.000 1.007 186 E CA 0.946 57.363 56.400 0.028 0.000 0.845 186 E CB 0.305 30.040 29.700 0.059 0.000 0.766 186 E HN 0.573 nan 8.360 nan 0.000 0.507 187 T N -1.463 113.102 114.554 0.018 0.000 3.160 187 T HA 0.041 4.391 4.350 -0.001 0.000 0.257 187 T C 0.921 175.625 174.700 0.006 0.000 1.147 187 T CA -0.114 61.989 62.100 0.005 0.000 1.064 187 T CB -0.339 68.535 68.868 0.010 0.000 0.949 187 T HN 0.031 nan 8.240 nan 0.000 0.526 188 I N 2.702 123.280 120.570 0.013 0.000 2.483 188 I HA 0.166 4.335 4.170 -0.001 0.000 0.291 188 I C 0.506 176.613 176.117 -0.017 0.000 1.112 188 I CA -0.486 60.834 61.300 0.034 0.000 1.350 188 I CB 0.249 38.304 38.000 0.093 0.000 1.419 188 I HN 0.135 nan 8.210 nan 0.000 0.523 189 E N 5.422 125.628 120.200 0.009 0.000 2.585 189 E HA 0.052 4.402 4.350 -0.001 0.000 0.252 189 E C 1.184 177.754 176.600 -0.050 0.000 0.981 189 E CA 1.265 57.658 56.400 -0.011 0.000 0.943 189 E CB 0.184 29.897 29.700 0.021 0.000 0.923 189 E HN 0.768 nan 8.360 nan 0.000 0.486 190 G N 3.198 111.933 108.800 -0.108 0.000 2.166 190 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.260 190 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.260 190 G C 1.095 175.715 174.900 -0.465 0.000 0.986 190 G CA 1.158 46.162 45.100 -0.161 0.000 0.683 190 G HN 0.827 nan 8.290 nan 0.000 0.527 191 S N -0.325 114.962 115.700 -0.689 0.000 2.419 191 S HA -0.069 4.400 4.470 -0.001 0.000 0.235 191 S C 2.293 176.432 174.600 -0.768 0.000 1.019 191 S CA 1.887 59.226 58.200 -1.434 0.000 0.982 191 S CB -0.351 62.404 63.200 -0.742 0.000 0.789 191 S HN 0.723 nan 8.310 nan 0.000 0.490 192 S N 1.921 117.392 115.700 -0.382 0.000 2.400 192 S HA 0.125 4.595 4.470 -0.001 0.000 0.232 192 S C 1.349 175.879 174.600 -0.118 0.000 1.025 192 S CA 1.088 59.159 58.200 -0.216 0.000 0.993 192 S CB -0.413 62.690 63.200 -0.162 0.000 0.808 192 S HN 0.531 nan 8.310 nan 0.000 0.478 193 L N 0.934 122.078 121.223 -0.132 0.000 2.741 193 L HA 0.306 4.645 4.340 -0.001 0.000 0.237 193 L C -0.612 176.329 176.870 0.118 0.000 1.178 193 L CA -0.402 54.436 54.840 -0.004 0.000 0.973 193 L CB -0.195 41.861 42.059 -0.004 0.000 1.255 193 L HN 0.164 nan 8.230 nan 0.000 0.498 194 F N 1.596 121.579 119.950 0.055 0.000 2.572 194 F HA 0.113 4.640 4.527 -0.001 0.000 0.370 194 F C -0.947 174.809 175.800 -0.073 0.000 1.103 194 F CA -2.319 55.652 58.000 -0.048 0.000 1.286 194 F CB -0.100 38.800 39.000 -0.167 0.000 1.105 194 F HN -0.105 nan 8.300 nan 0.000 0.583 195 P HA -0.132 nan 4.420 nan 0.000 0.216 195 P C 1.718 179.033 177.300 0.024 0.000 1.150 195 P CA 1.947 65.076 63.100 0.048 0.000 0.843 195 P CB 0.081 31.786 31.700 0.008 0.000 0.787 196 G N -0.812 107.955 108.800 -0.055 0.000 2.440 196 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 196 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 196 G C 1.194 176.121 174.900 0.045 0.000 1.154 196 G CA 1.053 46.114 45.100 -0.065 0.000 0.767 196 G HN 0.369 nan 8.290 nan 0.000 0.552 197 H N -0.634 118.522 119.070 0.145 0.000 2.357 197 H HA 0.006 4.561 4.556 -0.001 0.000 0.301 197 H C 2.751 178.208 175.328 0.215 0.000 1.082 197 H CA 0.724 56.886 56.048 0.189 0.000 1.342 197 H CB 0.098 29.936 29.762 0.126 0.000 1.389 197 H HN 0.225 nan 8.280 nan 0.000 0.511 198 V N 1.182 121.241 119.914 0.242 0.000 2.343 198 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 198 V C 1.978 178.173 176.094 0.169 0.000 1.051 198 V CA 1.892 64.297 62.300 0.175 0.000 1.036 198 V CB -0.390 31.496 31.823 0.106 0.000 0.654 198 V HN 0.464 nan 8.190 nan 0.000 0.451 199 E N 0.427 120.703 120.200 0.127 0.000 2.085 199 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 199 E C 2.319 178.976 176.600 0.094 0.000 0.994 199 E CA 1.386 57.840 56.400 0.089 0.000 0.801 199 E CB -0.367 29.366 29.700 0.055 0.000 0.743 199 E HN 0.613 nan 8.360 nan 0.000 0.453 200 A N 0.525 123.424 122.820 0.131 0.000 1.877 200 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 200 A C 1.867 179.453 177.584 0.003 0.000 1.186 200 A CA 1.280 53.358 52.037 0.069 0.000 0.620 200 A CB -0.774 18.285 19.000 0.098 0.000 0.822 200 A HN 0.253 nan 8.150 nan 0.000 0.443 201 Y N 0.264 120.593 120.300 0.048 0.000 2.200 201 Y HA -0.135 4.415 4.550 -0.001 0.000 0.290 201 Y C 2.538 178.446 175.900 0.014 0.000 1.137 201 Y CA 1.666 59.782 58.100 0.027 0.000 1.163 201 Y CB -0.209 38.272 38.460 0.036 0.000 0.988 201 Y HN 0.415 nan 8.280 nan 0.000 0.518 202 E N -0.748 119.543 120.200 0.152 0.000 2.110 202 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 202 E C 2.503 179.121 176.600 0.030 0.000 0.988 202 E CA 0.944 57.392 56.400 0.080 0.000 0.804 202 E CB -0.482 29.260 29.700 0.070 0.000 0.745 202 E HN 0.567 nan 8.360 nan 0.000 0.458 203 G N 1.320 110.129 108.800 0.015 0.000 2.422 203 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 203 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 203 G C 1.703 176.572 174.900 -0.052 0.000 1.146 203 G CA 0.903 45.993 45.100 -0.018 0.000 0.769 203 G HN 0.338 nan 8.290 nan 0.000 0.547 204 A N 0.286 123.054 122.820 -0.087 0.000 1.883 204 A HA 0.015 4.334 4.320 -0.001 0.000 0.217 204 A C 2.626 180.151 177.584 -0.098 0.000 1.186 204 A CA 1.963 53.918 52.037 -0.137 0.000 0.624 204 A CB -0.789 18.064 19.000 -0.245 0.000 0.822 204 A HN 0.266 nan 8.150 nan 0.000 0.444 205 V N 0.233 120.120 119.914 -0.044 0.000 2.252 205 V HA -0.331 3.789 4.120 -0.001 0.000 0.249 205 V C 2.464 178.536 176.094 -0.037 0.000 1.056 205 V CA 2.538 64.823 62.300 -0.025 0.000 1.022 205 V CB -0.746 31.086 31.823 0.015 0.000 0.641 205 V HN 0.571 nan 8.190 nan 0.000 0.445 206 K N 0.081 120.464 120.400 -0.029 0.000 2.209 206 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 206 K C 1.525 178.098 176.600 -0.045 0.000 1.048 206 K CA 1.274 57.544 56.287 -0.029 0.000 0.940 206 K CB -0.183 32.306 32.500 -0.019 0.000 0.729 206 K HN 0.485 nan 8.250 nan 0.000 0.451 207 N N -0.183 118.480 118.700 -0.062 0.000 2.230 207 N HA 0.020 4.759 4.740 -0.001 0.000 0.202 207 N C 0.338 175.786 175.510 -0.104 0.000 1.119 207 N CA 0.598 53.604 53.050 -0.074 0.000 0.851 207 N CB 1.351 39.795 38.487 -0.072 0.000 0.990 207 N HN 0.265 nan 8.380 nan 0.000 0.497 208 G N 1.681 110.407 108.800 -0.124 0.000 2.273 208 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.280 208 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.280 208 G C -0.056 174.670 174.900 -0.291 0.000 1.047 208 G CA -0.120 44.868 45.100 -0.187 0.000 0.869 208 G HN 0.212 nan 8.290 nan 0.000 0.502 209 I N 0.767 121.184 120.570 -0.255 0.000 2.342 209 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 209 I C 1.125 177.028 176.117 -0.358 0.000 1.010 209 I CA -1.049 60.077 61.300 -0.291 0.000 1.308 209 I CB 0.434 38.310 38.000 -0.207 0.000 1.400 209 I HN 0.172 nan 8.210 nan 0.000 0.488 210 H N 5.930 124.788 119.070 -0.354 0.000 2.757 210 H HA 0.332 4.888 4.556 -0.001 0.000 0.370 210 H C -0.173 174.798 175.328 -0.595 0.000 1.172 210 H CA 0.131 55.806 56.048 -0.623 0.000 1.426 210 H CB 0.748 29.739 29.762 -1.285 0.000 1.438 210 H HN 0.381 nan 8.280 nan 0.000 0.612 211 R N 0.970 121.276 120.500 -0.324 0.000 2.532 211 R HA 0.345 4.685 4.340 -0.001 0.000 0.297 211 R C -0.965 175.449 176.300 0.190 0.000 0.984 211 R CA -0.595 55.496 56.100 -0.015 0.000 0.884 211 R CB 2.184 32.589 30.300 0.175 0.000 1.182 211 R HN 0.522 nan 8.270 nan 0.000 0.442 212 T N 1.266 115.982 114.554 0.270 0.000 2.916 212 T HA 0.702 5.052 4.350 -0.001 0.000 0.292 212 T C -1.292 173.579 174.700 0.286 0.000 1.055 212 T CA -0.585 61.699 62.100 0.308 0.000 1.009 212 T CB 1.509 70.574 68.868 0.329 0.000 1.118 212 T HN 0.199 nan 8.240 nan 0.000 0.497 213 V N 3.415 123.449 119.914 0.199 0.000 2.777 213 V HA 0.342 4.461 4.120 -0.001 0.000 0.306 213 V C -1.063 175.153 176.094 0.204 0.000 1.112 213 V CA -1.005 61.396 62.300 0.168 0.000 0.917 213 V CB 1.735 33.556 31.823 -0.002 0.000 1.018 213 V HN 0.998 nan 8.190 nan 0.000 0.426 214 H N 2.935 122.112 119.070 0.177 0.000 2.975 214 H HA 0.623 5.179 4.556 -0.001 0.000 0.303 214 H C 0.343 175.767 175.328 0.160 0.000 1.023 214 H CA 1.179 57.382 56.048 0.259 0.000 1.473 214 H CB 0.757 30.712 29.762 0.321 0.000 1.498 214 H HN 0.996 nan 8.280 nan 0.000 0.549 215 A N 1.828 124.795 122.820 0.245 0.000 2.540 215 A HA 0.540 4.860 4.320 -0.001 0.000 0.297 215 A C 0.780 178.455 177.584 0.151 0.000 1.056 215 A CA -0.323 51.809 52.037 0.158 0.000 0.700 215 A CB 0.820 19.884 19.000 0.106 0.000 1.280 215 A HN 1.051 nan 8.150 nan 0.000 0.398 216 G N 0.927 109.811 108.800 0.140 0.000 2.160 216 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.251 216 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.251 216 G C 0.655 175.685 174.900 0.217 0.000 1.008 216 G CA 1.194 46.408 45.100 0.191 0.000 0.724 216 G HN 1.137 nan 8.290 nan 0.000 0.514 217 E N -0.650 119.627 120.200 0.129 0.000 2.014 217 E HA 0.065 4.415 4.350 -0.001 0.000 0.190 217 E C 2.511 179.249 176.600 0.231 0.000 0.980 217 E CA 2.042 58.457 56.400 0.026 0.000 0.807 217 E CB -0.046 29.538 29.700 -0.193 0.000 0.770 217 E HN 0.916 nan 8.360 nan 0.000 0.451 218 V N -2.556 117.424 119.914 0.110 0.000 3.556 218 V HA 0.467 4.586 4.120 -0.001 0.000 0.287 218 V C 0.780 176.793 176.094 -0.134 0.000 1.422 218 V CA 0.064 62.371 62.300 0.012 0.000 1.038 218 V CB 0.408 32.238 31.823 0.011 0.000 0.850 218 V HN 0.192 nan 8.190 nan 0.000 0.437 219 G N 1.214 109.982 108.800 -0.054 0.000 2.522 219 G HA2 0.487 4.447 3.960 -0.001 0.000 0.304 219 G HA3 0.487 4.447 3.960 -0.001 0.000 0.304 219 G C 0.094 174.932 174.900 -0.103 0.000 1.210 219 G CA 0.333 45.389 45.100 -0.074 0.000 0.960 219 G HN 0.693 nan 8.290 nan 0.000 0.497 220 S N 0.251 115.909 115.700 -0.070 0.000 2.608 220 S HA 0.271 4.741 4.470 -0.001 0.000 0.261 220 S C -1.221 173.404 174.600 0.042 0.000 1.314 220 S CA -0.669 57.511 58.200 -0.034 0.000 0.992 220 S CB 1.603 64.787 63.200 -0.027 0.000 0.935 220 S HN 0.294 nan 8.310 nan 0.000 0.564 221 P HA -0.083 nan 4.420 nan 0.000 0.221 221 P C 1.059 178.401 177.300 0.070 0.000 1.145 221 P CA 1.000 64.158 63.100 0.096 0.000 0.795 221 P CB -0.054 31.704 31.700 0.096 0.000 0.775 222 E N -0.175 120.050 120.200 0.042 0.000 2.110 222 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 222 E C 2.135 178.747 176.600 0.020 0.000 0.988 222 E CA 0.842 57.258 56.400 0.027 0.000 0.804 222 E CB -0.974 28.733 29.700 0.011 0.000 0.745 222 E HN 0.164 nan 8.360 nan 0.000 0.458 223 V N 1.183 121.108 119.914 0.018 0.000 2.343 223 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 223 V C 2.597 178.708 176.094 0.029 0.000 1.051 223 V CA 1.393 63.699 62.300 0.009 0.000 1.036 223 V CB -0.681 31.148 31.823 0.011 0.000 0.654 223 V HN 0.060 nan 8.190 nan 0.000 0.451 224 V N -0.012 119.942 119.914 0.067 0.000 2.343 224 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 224 V C 2.577 178.710 176.094 0.064 0.000 1.051 224 V CA 2.378 64.733 62.300 0.091 0.000 1.036 224 V CB -0.821 31.096 31.823 0.158 0.000 0.654 224 V HN 0.484 nan 8.190 nan 0.000 0.451 225 R N 0.091 120.626 120.500 0.059 0.000 2.083 225 R HA -0.219 4.120 4.340 -0.001 0.000 0.237 225 R C 2.338 178.648 176.300 0.018 0.000 1.137 225 R CA 2.114 58.240 56.100 0.043 0.000 0.951 225 R CB -0.225 30.101 30.300 0.043 0.000 0.851 225 R HN 0.627 nan 8.270 nan 0.000 0.434 226 E N -0.250 119.952 120.200 0.002 0.000 2.058 226 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 226 E C 1.947 178.521 176.600 -0.044 0.000 0.997 226 E CA 1.370 57.757 56.400 -0.023 0.000 0.801 226 E CB -0.146 29.529 29.700 -0.041 0.000 0.746 226 E HN 0.479 nan 8.360 nan 0.000 0.450 227 A N 0.640 123.433 122.820 -0.045 0.000 1.902 227 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 227 A C 2.440 179.999 177.584 -0.042 0.000 1.181 227 A CA 1.241 53.232 52.037 -0.076 0.000 0.623 227 A CB -0.428 18.547 19.000 -0.042 0.000 0.818 227 A HN 0.125 nan 8.150 nan 0.000 0.443 228 V N 0.003 119.914 119.914 -0.005 0.000 2.446 228 V HA -0.107 4.012 4.120 -0.001 0.000 0.244 228 V C 1.753 177.855 176.094 0.014 0.000 1.039 228 V CA 2.027 64.332 62.300 0.009 0.000 1.045 228 V CB -0.510 31.324 31.823 0.018 0.000 0.681 228 V HN 0.459 nan 8.190 nan 0.000 0.459 229 D N -0.769 119.638 120.400 0.012 0.000 2.327 229 D HA 0.097 4.736 4.640 -0.001 0.000 0.205 229 D C 1.758 178.067 176.300 0.015 0.000 0.989 229 D CA 0.626 54.636 54.000 0.016 0.000 0.873 229 D CB 0.556 41.367 40.800 0.019 0.000 0.955 229 D HN 0.298 nan 8.370 nan 0.000 0.515 230 I N -0.159 120.413 120.570 0.004 0.000 3.366 230 I HA 0.046 4.215 4.170 -0.001 0.000 0.267 230 I C 2.149 178.272 176.117 0.011 0.000 1.149 230 I CA 0.346 61.651 61.300 0.008 0.000 1.436 230 I CB -0.717 37.282 38.000 -0.000 0.000 1.379 230 I HN -0.070 nan 8.210 nan 0.000 0.460 231 L N 1.152 122.351 121.223 -0.040 0.000 2.478 231 L HA -0.015 4.325 4.340 -0.001 0.000 0.223 231 L C 0.497 177.406 176.870 0.066 0.000 1.140 231 L CA 0.322 55.119 54.840 -0.072 0.000 0.842 231 L CB -0.252 41.553 42.059 -0.423 0.000 0.953 231 L HN 0.238 nan 8.230 nan 0.000 0.452 232 K N 0.013 120.441 120.400 0.048 0.000 3.129 232 K HA -0.169 4.151 4.320 -0.001 0.000 0.273 232 K C 0.465 177.130 176.600 0.108 0.000 1.123 232 K CA 0.689 57.022 56.287 0.076 0.000 0.800 232 K CB -2.638 29.914 32.500 0.086 0.000 1.238 232 K HN 0.301 nan 8.250 nan 0.000 0.492 233 T N 0.319 114.927 114.554 0.089 0.000 2.937 233 T HA 0.046 4.396 4.350 -0.001 0.000 0.316 233 T C 1.460 176.231 174.700 0.119 0.000 1.079 233 T CA 0.424 62.601 62.100 0.130 0.000 1.131 233 T CB 0.467 69.386 68.868 0.085 0.000 1.000 233 T HN 0.284 nan 8.240 nan 0.000 0.549 234 E N 2.509 122.817 120.200 0.181 0.000 2.364 234 E HA 0.139 4.488 4.350 -0.001 0.000 0.196 234 E C 0.565 177.260 176.600 0.158 0.000 0.990 234 E CA 0.384 56.902 56.400 0.197 0.000 0.886 234 E CB 0.510 30.409 29.700 0.333 0.000 0.866 234 E HN 0.469 nan 8.360 nan 0.000 0.493 235 R N 0.234 120.841 120.500 0.179 0.000 2.774 235 R HA 0.496 4.835 4.340 -0.001 0.000 0.272 235 R C -1.301 175.032 176.300 0.056 0.000 1.000 235 R CA -0.726 55.427 56.100 0.088 0.000 0.906 235 R CB 2.494 32.871 30.300 0.128 0.000 1.227 235 R HN -0.173 nan 8.270 nan 0.000 0.468 236 V N 1.169 121.058 119.914 -0.043 0.000 2.384 236 V HA 0.362 4.482 4.120 -0.001 0.000 0.287 236 V C 0.472 176.604 176.094 0.063 0.000 1.020 236 V CA -0.722 61.581 62.300 0.005 0.000 0.850 236 V CB 1.615 33.412 31.823 -0.044 0.000 0.987 236 V HN 0.941 nan 8.190 nan 0.000 0.436 237 G N 3.883 112.719 108.800 0.059 0.000 2.346 237 G HA2 0.392 4.352 3.960 -0.001 0.000 0.275 237 G HA3 0.392 4.352 3.960 -0.001 0.000 0.275 237 G C 0.526 175.354 174.900 -0.119 0.000 1.190 237 G CA 0.542 45.599 45.100 -0.072 0.000 1.015 237 G HN 1.007 nan 8.290 nan 0.000 0.441 238 H N 2.124 121.090 119.070 -0.174 0.000 4.126 238 H HA -0.318 4.238 4.556 -0.001 0.000 0.086 238 H C 2.166 177.184 175.328 -0.516 0.000 0.618 238 H CA 1.895 57.585 56.048 -0.597 0.000 1.248 238 H CB -1.497 27.818 29.762 -0.746 0.000 1.221 238 H HN 1.955 nan 8.280 nan 0.000 0.857 239 G N 0.756 109.463 108.800 -0.154 0.000 2.155 239 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.257 239 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.257 239 G C 0.563 175.471 174.900 0.012 0.000 0.983 239 G CA 1.298 46.474 45.100 0.126 0.000 0.676 239 G HN 0.542 nan 8.290 nan 0.000 0.528 240 Y N -0.253 120.081 120.300 0.057 0.000 2.224 240 Y HA -0.020 4.530 4.550 -0.001 0.000 0.289 240 Y C 2.496 178.167 175.900 -0.381 0.000 1.146 240 Y CA 1.715 59.631 58.100 -0.306 0.000 1.182 240 Y CB -0.779 37.356 38.460 -0.542 0.000 0.983 240 Y HN 0.560 nan 8.280 nan 0.000 0.524 241 H N -1.321 117.791 119.070 0.069 0.000 2.547 241 H HA 0.014 4.570 4.556 -0.001 0.000 0.266 241 H C 1.845 177.188 175.328 0.024 0.000 0.988 241 H CA 0.939 57.003 56.048 0.026 0.000 1.147 241 H CB -0.186 29.597 29.762 0.036 0.000 1.365 241 H HN 0.204 nan 8.280 nan 0.000 0.589 242 T N 0.605 115.235 114.554 0.126 0.000 2.737 242 T HA -0.182 4.167 4.350 -0.001 0.000 0.269 242 T C 1.995 176.738 174.700 0.072 0.000 1.040 242 T CA 1.260 63.455 62.100 0.158 0.000 1.142 242 T CB -0.173 68.859 68.868 0.272 0.000 0.861 242 T HN 0.390 nan 8.240 nan 0.000 0.456 243 I N 1.068 121.558 120.570 -0.134 0.000 2.530 243 I HA -0.169 4.001 4.170 -0.001 0.000 0.257 243 I C 2.447 178.505 176.117 -0.098 0.000 1.179 243 I CA 1.223 62.331 61.300 -0.320 0.000 1.440 243 I CB -0.468 37.224 38.000 -0.513 0.000 1.087 243 I HN 0.365 nan 8.210 nan 0.000 0.440 244 E N 0.078 120.269 120.200 -0.015 0.000 2.204 244 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 244 E C 0.716 177.344 176.600 0.046 0.000 0.990 244 E CA 0.638 57.053 56.400 0.025 0.000 0.821 244 E CB -0.015 29.722 29.700 0.061 0.000 0.750 244 E HN 0.288 nan 8.360 nan 0.000 0.477 245 D N 0.604 121.048 120.400 0.074 0.000 2.485 245 D HA 0.008 4.648 4.640 -0.001 0.000 0.229 245 D C 0.650 177.027 176.300 0.128 0.000 1.101 245 D CA -0.078 53.975 54.000 0.089 0.000 0.906 245 D CB 0.664 41.520 40.800 0.094 0.000 1.019 245 D HN -0.121 nan 8.370 nan 0.000 0.516 246 E N 2.263 122.530 120.200 0.112 0.000 2.097 246 E HA -0.205 4.145 4.350 -0.001 0.000 0.196 246 E C 1.674 178.372 176.600 0.164 0.000 1.000 246 E CA 1.110 57.604 56.400 0.158 0.000 0.804 246 E CB 0.010 29.777 29.700 0.111 0.000 0.740 246 E HN 0.636 nan 8.360 nan 0.000 0.454 247 A N 1.130 124.015 122.820 0.109 0.000 1.902 247 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 247 A C 2.254 179.895 177.584 0.095 0.000 1.181 247 A CA 1.384 53.471 52.037 0.084 0.000 0.623 247 A CB -0.612 18.425 19.000 0.061 0.000 0.818 247 A HN 0.249 nan 8.150 nan 0.000 0.443 248 L N -1.613 119.682 121.223 0.119 0.000 2.017 248 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 248 L C 2.316 179.294 176.870 0.180 0.000 1.073 248 L CA 2.457 57.376 54.840 0.132 0.000 0.745 248 L CB -0.991 41.151 42.059 0.138 0.000 0.894 248 L HN 0.518 nan 8.230 nan 0.000 0.432 249 Y N 0.798 121.154 120.300 0.094 0.000 2.081 249 Y HA -0.320 4.229 4.550 -0.001 0.000 0.280 249 Y C 2.337 178.297 175.900 0.099 0.000 1.163 249 Y CA 2.372 60.537 58.100 0.108 0.000 1.135 249 Y CB -0.777 37.731 38.460 0.080 0.000 0.970 249 Y HN 0.432 nan 8.280 nan 0.000 0.498 250 N N -0.418 118.234 118.700 -0.081 0.000 2.166 250 N HA -0.187 4.553 4.740 -0.001 0.000 0.186 250 N C 2.058 177.504 175.510 -0.107 0.000 1.019 250 N CA 1.022 53.972 53.050 -0.166 0.000 0.856 250 N CB -0.262 38.205 38.487 -0.033 0.000 0.993 250 N HN 0.292 nan 8.380 nan 0.000 0.426 251 R N 1.087 121.570 120.500 -0.028 0.000 2.073 251 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 251 R C 1.935 178.224 176.300 -0.018 0.000 1.134 251 R CA 1.085 57.180 56.100 -0.009 0.000 0.952 251 R CB -0.239 30.075 30.300 0.024 0.000 0.850 251 R HN 0.248 nan 8.270 nan 0.000 0.433 252 L N 0.691 121.917 121.223 0.004 0.000 2.093 252 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 252 L C 2.459 179.316 176.870 -0.022 0.000 1.085 252 L CA 0.913 55.768 54.840 0.025 0.000 0.755 252 L CB -0.410 41.755 42.059 0.178 0.000 0.904 252 L HN 0.286 nan 8.230 nan 0.000 0.435 253 L N 0.018 121.167 121.223 -0.124 0.000 2.012 253 L HA -0.273 4.067 4.340 -0.001 0.000 0.210 253 L C 2.722 179.547 176.870 -0.074 0.000 1.073 253 L CA 1.543 56.300 54.840 -0.139 0.000 0.748 253 L CB -0.533 41.358 42.059 -0.281 0.000 0.891 253 L HN 0.265 nan 8.230 nan 0.000 0.431 254 K N 0.423 120.782 120.400 -0.069 0.000 2.097 254 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 254 K C 1.736 178.322 176.600 -0.024 0.000 1.049 254 K CA 1.465 57.729 56.287 -0.039 0.000 0.933 254 K CB 0.075 32.556 32.500 -0.031 0.000 0.717 254 K HN 0.354 nan 8.250 nan 0.000 0.442 255 E N 0.173 120.358 120.200 -0.025 0.000 2.502 255 E HA -0.073 4.276 4.350 -0.001 0.000 0.194 255 E C -0.063 176.523 176.600 -0.024 0.000 1.062 255 E CA 0.020 56.408 56.400 -0.019 0.000 0.867 255 E CB -0.075 29.615 29.700 -0.016 0.000 0.888 255 E HN 0.373 nan 8.360 nan 0.000 0.510 256 N N 0.894 119.577 118.700 -0.029 0.000 2.776 256 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 256 N C -0.293 175.185 175.510 -0.053 0.000 1.111 256 N CA -0.185 52.852 53.050 -0.022 0.000 0.711 256 N CB -0.691 37.793 38.487 -0.005 0.000 1.065 256 N HN 0.094 nan 8.380 nan 0.000 0.556 257 M N 1.917 121.444 119.600 -0.121 0.000 2.251 257 M HA 0.024 4.503 4.480 -0.001 0.000 0.343 257 M C 0.051 176.125 176.300 -0.377 0.000 1.245 257 M CA 0.448 55.584 55.300 -0.273 0.000 1.061 257 M CB 0.087 32.417 32.600 -0.449 0.000 1.723 257 M HN 0.238 nan 8.290 nan 0.000 0.449 258 H N 4.334 123.182 119.070 -0.369 0.000 2.580 258 H HA 0.433 4.989 4.556 -0.001 0.000 0.322 258 H C -1.572 173.491 175.328 -0.440 0.000 1.082 258 H CA 0.054 55.934 56.048 -0.280 0.000 1.383 258 H CB 0.315 29.985 29.762 -0.154 0.000 1.450 258 H HN 0.614 nan 8.280 nan 0.000 0.505 259 F N 3.086 122.767 119.950 -0.449 0.000 2.411 259 F HA 0.215 4.741 4.527 -0.001 0.000 0.352 259 F C 0.295 175.969 175.800 -0.209 0.000 1.123 259 F CA -0.735 57.114 58.000 -0.251 0.000 1.044 259 F CB 1.227 40.035 39.000 -0.320 0.000 1.135 259 F HN 0.558 nan 8.300 nan 0.000 0.461 260 E N 3.221 123.502 120.200 0.134 0.000 1.941 260 E HA 0.272 4.622 4.350 -0.001 0.000 0.275 260 E C -0.733 175.902 176.600 0.057 0.000 1.113 260 E CA -0.407 56.091 56.400 0.164 0.000 0.878 260 E CB 0.897 30.724 29.700 0.211 0.000 1.070 260 E HN 0.281 nan 8.360 nan 0.000 0.399 261 V N 2.775 122.820 119.914 0.218 0.000 2.546 261 V HA 0.098 4.218 4.120 -0.001 0.000 0.284 261 V C 0.019 176.229 176.094 0.192 0.000 1.050 261 V CA -0.602 61.880 62.300 0.303 0.000 0.981 261 V CB 1.237 33.280 31.823 0.367 0.000 0.990 261 V HN 0.818 nan 8.190 nan 0.000 0.474 262 C N 6.574 126.034 119.300 0.266 0.000 3.002 262 C HA 0.328 4.788 4.460 -0.001 0.000 0.248 262 C C -1.333 173.728 174.990 0.118 0.000 1.153 262 C CA -0.780 58.351 59.018 0.189 0.000 1.502 262 C CB 0.448 28.313 27.740 0.210 0.000 1.805 262 C HN 0.687 nan 8.230 nan 0.000 0.450 263 P HA -0.130 nan 4.420 nan 0.000 0.215 263 P C 1.778 179.054 177.300 -0.040 0.000 1.157 263 P CA 1.248 64.174 63.100 -0.291 0.000 0.863 263 P CB 0.065 31.479 31.700 -0.477 0.000 0.787 264 W N 0.244 121.460 121.300 -0.141 0.000 2.381 264 W HA -0.130 4.530 4.660 -0.001 0.000 0.301 264 W C 2.298 178.671 176.519 -0.243 0.000 1.205 264 W CA 1.485 58.777 57.345 -0.087 0.000 1.285 264 W CB -0.565 28.871 29.460 -0.040 0.000 1.133 264 W HN -0.034 nan 8.180 nan 0.000 0.521 265 S N 0.850 116.274 115.700 -0.462 0.000 2.372 265 S HA -0.283 4.186 4.470 -0.001 0.000 0.227 265 S C 2.151 176.389 174.600 -0.603 0.000 1.044 265 S CA 2.914 60.501 58.200 -1.021 0.000 1.050 265 S CB -0.839 62.200 63.200 -0.268 0.000 0.901 265 S HN 0.426 nan 8.310 nan 0.000 0.447 266 S N -0.404 115.185 115.700 -0.186 0.000 2.402 266 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 266 S C 1.784 176.397 174.600 0.021 0.000 1.021 266 S CA 1.175 59.346 58.200 -0.049 0.000 0.974 266 S CB -0.913 62.231 63.200 -0.094 0.000 0.800 266 S HN 0.732 nan 8.310 nan 0.000 0.484 267 Y N 2.281 122.531 120.300 -0.083 0.000 2.133 267 Y HA 0.135 4.684 4.550 -0.001 0.000 0.287 267 Y C 1.959 177.642 175.900 -0.361 0.000 1.134 267 Y CA 1.312 59.352 58.100 -0.100 0.000 1.133 267 Y CB -0.506 37.887 38.460 -0.111 0.000 0.987 267 Y HN 0.228 nan 8.280 nan 0.000 0.502 268 L N -0.298 120.472 121.223 -0.754 0.000 2.217 268 L HA -0.116 4.223 4.340 -0.001 0.000 0.211 268 L C 2.333 178.966 176.870 -0.395 0.000 1.107 268 L CA 1.609 56.022 54.840 -0.711 0.000 0.783 268 L CB -0.783 40.879 42.059 -0.661 0.000 0.919 268 L HN 0.378 nan 8.230 nan 0.000 0.442 269 T N -3.924 110.415 114.554 -0.358 0.000 3.113 269 T HA 0.132 4.482 4.350 -0.001 0.000 0.256 269 T C 1.549 176.167 174.700 -0.136 0.000 1.131 269 T CA 0.551 62.542 62.100 -0.181 0.000 1.074 269 T CB 0.296 69.032 68.868 -0.219 0.000 0.944 269 T HN 0.456 nan 8.240 nan 0.000 0.516 270 G N 0.842 109.521 108.800 -0.203 0.000 2.184 270 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.264 270 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.264 270 G C 1.212 176.084 174.900 -0.046 0.000 0.975 270 G CA 0.337 45.347 45.100 -0.150 0.000 0.642 270 G HN 1.080 nan 8.290 nan 0.000 0.536 271 A N -0.977 121.842 122.820 -0.001 0.000 1.948 271 A HA 0.197 4.517 4.320 -0.001 0.000 0.220 271 A C 1.176 178.870 177.584 0.183 0.000 1.177 271 A CA 1.879 53.998 52.037 0.137 0.000 0.636 271 A CB -0.209 18.874 19.000 0.138 0.000 0.815 271 A HN 1.474 nan 8.150 nan 0.000 0.449 272 W N 0.885 122.084 121.300 -0.169 0.000 2.475 272 W HA 0.542 5.201 4.660 -0.001 0.000 0.317 272 W C -1.202 175.231 176.519 -0.144 0.000 1.046 272 W CA -1.941 55.243 57.345 -0.267 0.000 1.215 272 W CB 0.761 29.984 29.460 -0.396 0.000 1.335 272 W HN 0.104 nan 8.180 nan 0.000 0.471 273 D N 8.141 128.336 120.400 -0.343 0.000 2.338 273 D HA 0.168 4.808 4.640 -0.001 0.000 0.255 273 D C -1.441 174.239 176.300 -1.033 0.000 1.237 273 D CA -2.161 51.540 54.000 -0.499 0.000 0.883 273 D CB 1.732 42.399 40.800 -0.222 0.000 1.087 273 D HN 0.191 nan 8.370 nan 0.000 0.485 274 P HA -0.042 nan 4.420 nan 0.000 0.237 274 P C 0.680 177.652 177.300 -0.547 0.000 1.178 274 P CA 0.563 62.875 63.100 -1.313 0.000 0.766 274 P CB 0.201 31.437 31.700 -0.772 0.000 0.876 275 K N -0.114 120.072 120.400 -0.357 0.000 2.442 275 K HA 0.005 4.324 4.320 -0.001 0.000 0.198 275 K C 0.996 177.541 176.600 -0.093 0.000 1.042 275 K CA 0.894 57.078 56.287 -0.171 0.000 0.958 275 K CB -0.298 32.121 32.500 -0.134 0.000 0.766 275 K HN 0.345 nan 8.250 nan 0.000 0.474 276 T N -2.166 112.343 114.554 -0.075 0.000 2.924 276 T HA 0.231 4.581 4.350 -0.001 0.000 0.291 276 T C 0.010 174.871 174.700 0.268 0.000 1.045 276 T CA -0.933 61.204 62.100 0.062 0.000 1.015 276 T CB 1.876 70.768 68.868 0.041 0.000 1.103 276 T HN -0.190 nan 8.240 nan 0.000 0.496 277 T N 2.844 117.493 114.554 0.159 0.000 2.902 277 T HA 0.064 4.413 4.350 -0.001 0.000 0.301 277 T C 0.395 175.135 174.700 0.066 0.000 1.012 277 T CA -0.011 62.165 62.100 0.127 0.000 1.151 277 T CB -0.211 68.660 68.868 0.005 0.000 0.946 277 T HN 0.654 nan 8.240 nan 0.000 0.542 278 H N 1.987 120.901 119.070 -0.259 0.000 2.897 278 H HA 0.131 4.686 4.556 -0.001 0.000 0.347 278 H C 1.430 176.361 175.328 -0.662 0.000 1.068 278 H CA 0.246 55.768 56.048 -0.877 0.000 1.426 278 H CB 0.675 29.642 29.762 -1.325 0.000 1.410 278 H HN 0.792 nan 8.280 nan 0.000 0.597 279 A N 4.900 127.167 122.820 -0.922 0.000 1.997 279 A HA -0.180 4.140 4.320 -0.001 0.000 0.221 279 A C 2.523 179.518 177.584 -0.982 0.000 1.172 279 A CA 1.719 53.227 52.037 -0.883 0.000 0.645 279 A CB -0.793 17.630 19.000 -0.961 0.000 0.813 279 A HN 0.560 nan 8.150 nan 0.000 0.454 280 V N -0.305 119.290 119.914 -0.531 0.000 2.759 280 V HA -0.165 3.954 4.120 -0.001 0.000 0.256 280 V C 2.362 178.288 176.094 -0.280 0.000 1.080 280 V CA 1.941 63.922 62.300 -0.532 0.000 1.101 280 V CB -0.318 31.266 31.823 -0.398 0.000 0.698 280 V HN 0.372 nan 8.190 nan 0.000 0.477 281 V N 0.425 120.208 119.914 -0.218 0.000 2.295 281 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 281 V C 2.597 178.626 176.094 -0.109 0.000 1.049 281 V CA 2.395 64.638 62.300 -0.094 0.000 1.024 281 V CB -0.891 30.881 31.823 -0.084 0.000 0.648 281 V HN 0.575 nan 8.190 nan 0.000 0.447 282 R N 0.076 120.462 120.500 -0.191 0.000 2.091 282 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 282 R C 2.022 178.380 176.300 0.097 0.000 1.136 282 R CA 1.847 57.890 56.100 -0.095 0.000 0.959 282 R CB -0.706 29.462 30.300 -0.221 0.000 0.856 282 R HN 0.380 nan 8.270 nan 0.000 0.437 283 F N 1.323 121.187 119.950 -0.143 0.000 2.095 283 F HA -0.117 4.410 4.527 -0.001 0.000 0.298 283 F C 2.225 178.004 175.800 -0.036 0.000 1.104 283 F CA 1.529 59.454 58.000 -0.125 0.000 1.232 283 F CB -1.143 37.584 39.000 -0.455 0.000 0.987 283 F HN 0.160 nan 8.300 nan 0.000 0.475 284 K N 0.359 120.812 120.400 0.087 0.000 2.032 284 K HA -0.208 4.112 4.320 -0.001 0.000 0.209 284 K C 1.810 178.417 176.600 0.011 0.000 1.048 284 K CA 1.725 58.033 56.287 0.036 0.000 0.927 284 K CB -0.214 32.142 32.500 -0.240 0.000 0.712 284 K HN 0.137 nan 8.250 nan 0.000 0.441 285 N N 1.402 120.105 118.700 0.006 0.000 2.223 285 N HA -0.121 4.618 4.740 -0.001 0.000 0.185 285 N C 0.782 176.320 175.510 0.047 0.000 1.016 285 N CA 1.162 54.216 53.050 0.007 0.000 0.863 285 N CB -0.196 38.293 38.487 0.002 0.000 0.983 285 N HN 0.287 nan 8.380 nan 0.000 0.429 286 D N 0.528 120.990 120.400 0.104 0.000 2.340 286 D HA 0.054 4.693 4.640 -0.001 0.000 0.220 286 D C 0.033 176.383 176.300 0.084 0.000 1.039 286 D CA 0.130 54.195 54.000 0.108 0.000 0.866 286 D CB 0.134 41.042 40.800 0.180 0.000 0.913 286 D HN 0.171 nan 8.370 nan 0.000 0.523 287 K N -0.193 120.261 120.400 0.091 0.000 3.096 287 K HA -0.177 4.143 4.320 -0.001 0.000 0.266 287 K C 0.118 176.781 176.600 0.105 0.000 1.043 287 K CA 0.308 56.641 56.287 0.077 0.000 0.758 287 K CB -1.527 30.990 32.500 0.029 0.000 1.260 287 K HN 0.214 nan 8.250 nan 0.000 0.481 288 A N 1.173 124.106 122.820 0.189 0.000 2.366 288 A HA 0.134 4.454 4.320 -0.001 0.000 0.250 288 A C 0.317 178.026 177.584 0.208 0.000 1.099 288 A CA -0.056 52.088 52.037 0.178 0.000 0.794 288 A CB 0.242 19.311 19.000 0.114 0.000 1.056 288 A HN 0.502 nan 8.150 nan 0.000 0.499 289 N N 0.188 118.973 118.700 0.141 0.000 2.469 289 N HA 0.470 5.210 4.740 -0.001 0.000 0.239 289 N C -1.327 174.177 175.510 -0.009 0.000 1.053 289 N CA -0.231 52.862 53.050 0.072 0.000 0.937 289 N CB 0.189 38.715 38.487 0.065 0.000 1.163 289 N HN 0.604 nan 8.380 nan 0.000 0.509 290 Y N 0.536 120.744 120.300 -0.153 0.000 2.638 290 Y HA 0.549 5.099 4.550 -0.001 0.000 0.335 290 Y C -1.270 174.605 175.900 -0.042 0.000 1.155 290 Y CA -1.203 56.693 58.100 -0.340 0.000 1.046 290 Y CB 0.630 39.068 38.460 -0.036 0.000 1.303 290 Y HN 0.238 nan 8.280 nan 0.000 0.460 291 S N 2.074 117.855 115.700 0.135 0.000 2.638 291 S HA 0.821 5.291 4.470 -0.001 0.000 0.302 291 S C -1.412 173.381 174.600 0.321 0.000 1.096 291 S CA -0.986 57.371 58.200 0.261 0.000 0.953 291 S CB 1.893 65.338 63.200 0.409 0.000 1.107 291 S HN 0.809 nan 8.310 nan 0.000 0.503 292 L N 1.562 122.923 121.223 0.229 0.000 2.329 292 L HA 0.614 4.954 4.340 -0.001 0.000 0.279 292 L C -0.831 176.168 176.870 0.214 0.000 1.014 292 L CA -0.636 54.295 54.840 0.152 0.000 0.814 292 L CB 1.514 43.489 42.059 -0.139 0.000 1.257 292 L HN 0.802 nan 8.230 nan 0.000 0.424 293 N N -1.138 117.682 118.700 0.201 0.000 2.405 293 N HA 0.274 5.013 4.740 -0.001 0.000 0.274 293 N C 0.311 175.983 175.510 0.271 0.000 1.170 293 N CA -0.504 52.696 53.050 0.250 0.000 0.848 293 N CB 1.952 40.590 38.487 0.252 0.000 1.629 293 N HN 0.589 nan 8.380 nan 0.000 0.481 294 T N -2.545 112.204 114.554 0.325 0.000 2.978 294 T HA 0.057 4.407 4.350 -0.001 0.000 0.262 294 T C 0.732 175.741 174.700 0.515 0.000 1.063 294 T CA 1.223 63.555 62.100 0.386 0.000 1.140 294 T CB -0.071 69.013 68.868 0.359 0.000 0.886 294 T HN 0.628 nan 8.240 nan 0.000 0.470 295 D N 2.262 122.996 120.400 0.557 0.000 4.295 295 D HA -0.186 4.454 4.640 -0.001 0.000 0.191 295 D C -1.043 175.699 176.300 0.737 0.000 1.005 295 D CA 2.180 56.631 54.000 0.751 0.000 2.235 295 D CB -1.544 39.679 40.800 0.705 0.000 1.149 295 D HN 0.625 nan 8.370 nan 0.000 0.414 296 D N 0.535 121.307 120.400 0.620 0.000 2.552 296 D HA 0.281 4.920 4.640 -0.001 0.000 0.285 296 D C -1.952 174.420 176.300 0.120 0.000 1.206 296 D CA -0.834 53.323 54.000 0.261 0.000 0.826 296 D CB 1.733 42.540 40.800 0.011 0.000 1.179 296 D HN 0.137 nan 8.370 nan 0.000 0.508 297 P HA -0.191 nan 4.420 nan 0.000 0.219 297 P C 1.642 179.035 177.300 0.155 0.000 1.146 297 P CA 0.420 63.693 63.100 0.289 0.000 0.808 297 P CB 0.534 32.385 31.700 0.252 0.000 0.779 298 L N -0.291 120.968 121.223 0.059 0.000 2.017 298 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 298 L C 2.432 179.254 176.870 -0.079 0.000 1.073 298 L CA 1.864 56.679 54.840 -0.041 0.000 0.745 298 L CB -1.229 40.746 42.059 -0.140 0.000 0.894 298 L HN -0.195 nan 8.230 nan 0.000 0.432 299 I N -1.385 119.075 120.570 -0.183 0.000 2.439 299 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 299 I C 1.371 177.469 176.117 -0.031 0.000 1.139 299 I CA 0.727 61.898 61.300 -0.216 0.000 1.438 299 I CB -0.207 37.572 38.000 -0.369 0.000 1.085 299 I HN 0.156 nan 8.210 nan 0.000 0.427 300 F N 1.190 121.281 119.950 0.235 0.000 2.797 300 F HA 0.163 4.689 4.527 -0.001 0.000 0.302 300 F C 0.929 176.979 175.800 0.417 0.000 1.130 300 F CA -0.548 57.631 58.000 0.298 0.000 1.387 300 F CB -0.919 38.269 39.000 0.314 0.000 1.107 300 F HN -0.086 nan 8.300 nan 0.000 0.577 301 K N 1.242 121.866 120.400 0.374 0.000 3.148 301 K HA -0.179 4.140 4.320 -0.001 0.000 0.267 301 K C 0.064 176.819 176.600 0.259 0.000 0.996 301 K CA 0.719 57.164 56.287 0.264 0.000 0.737 301 K CB -1.921 30.724 32.500 0.242 0.000 1.308 301 K HN 0.446 nan 8.250 nan 0.000 0.470 302 S N -1.517 114.348 115.700 0.276 0.000 2.667 302 S HA 0.742 5.211 4.470 -0.001 0.000 0.292 302 S C -0.012 174.667 174.600 0.131 0.000 1.126 302 S CA -0.207 58.110 58.200 0.195 0.000 0.881 302 S CB 2.643 66.058 63.200 0.358 0.000 1.132 302 S HN 0.292 nan 8.310 nan 0.000 0.492 303 T N -1.690 112.903 114.554 0.064 0.000 2.858 303 T HA 0.563 4.912 4.350 -0.001 0.000 0.285 303 T C 0.665 175.406 174.700 0.067 0.000 1.052 303 T CA -0.795 61.335 62.100 0.049 0.000 1.009 303 T CB 0.708 69.568 68.868 -0.014 0.000 1.241 303 T HN 0.423 nan 8.240 nan 0.000 0.542 304 L N 0.860 122.117 121.223 0.056 0.000 2.127 304 L HA 0.045 4.385 4.340 -0.001 0.000 0.211 304 L C 2.048 178.974 176.870 0.092 0.000 1.089 304 L CA 2.007 56.909 54.840 0.102 0.000 0.757 304 L CB -1.199 40.885 42.059 0.041 0.000 0.899 304 L HN 0.942 nan 8.230 nan 0.000 0.434 305 D N -1.917 118.470 120.400 -0.022 0.000 2.218 305 D HA -0.164 4.475 4.640 -0.001 0.000 0.204 305 D C 1.898 178.186 176.300 -0.020 0.000 0.976 305 D CA 1.377 55.352 54.000 -0.040 0.000 0.853 305 D CB 0.207 40.956 40.800 -0.085 0.000 0.939 305 D HN 0.358 nan 8.370 nan 0.000 0.481 306 T N -0.196 114.322 114.554 -0.059 0.000 2.684 306 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 306 T C 1.275 175.897 174.700 -0.130 0.000 1.036 306 T CA 1.796 63.786 62.100 -0.184 0.000 1.148 306 T CB -0.499 68.183 68.868 -0.310 0.000 0.863 306 T HN 0.271 nan 8.240 nan 0.000 0.436 307 D N -0.090 120.314 120.400 0.006 0.000 2.117 307 D HA -0.043 4.597 4.640 -0.001 0.000 0.198 307 D C 1.754 177.995 176.300 -0.098 0.000 0.982 307 D CA 0.849 54.842 54.000 -0.011 0.000 0.828 307 D CB -0.252 40.585 40.800 0.062 0.000 0.967 307 D HN 0.376 nan 8.370 nan 0.000 0.464 308 Y N 1.274 121.487 120.300 -0.145 0.000 2.200 308 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 308 Y C 2.504 178.355 175.900 -0.082 0.000 1.137 308 Y CA 0.877 58.856 58.100 -0.201 0.000 1.163 308 Y CB -0.233 37.992 38.460 -0.393 0.000 0.988 308 Y HN -0.064 nan 8.280 nan 0.000 0.518 309 Q N -0.323 119.505 119.800 0.047 0.000 2.096 309 Q HA -0.258 4.082 4.340 -0.001 0.000 0.204 309 Q C 2.462 178.429 176.000 -0.054 0.000 0.982 309 Q CA 1.782 57.586 55.803 0.002 0.000 0.850 309 Q CB -0.640 28.063 28.738 -0.058 0.000 0.901 309 Q HN 0.589 nan 8.270 nan 0.000 0.422 310 M N 0.725 120.249 119.600 -0.127 0.000 2.117 310 M HA -0.180 4.300 4.480 -0.001 0.000 0.262 310 M C 2.128 178.287 176.300 -0.234 0.000 1.065 310 M CA 2.194 57.391 55.300 -0.172 0.000 1.114 310 M CB -0.181 32.314 32.600 -0.176 0.000 1.361 310 M HN 0.313 nan 8.290 nan 0.000 0.408 311 T N -1.820 112.525 114.554 -0.347 0.000 2.857 311 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 311 T C 1.823 176.352 174.700 -0.285 0.000 1.048 311 T CA 1.366 63.078 62.100 -0.648 0.000 1.139 311 T CB -0.412 67.632 68.868 -1.373 0.000 0.874 311 T HN 0.469 nan 8.240 nan 0.000 0.455 312 K N 1.467 121.879 120.400 0.019 0.000 2.002 312 K HA -0.129 4.191 4.320 -0.001 0.000 0.209 312 K C 2.544 179.172 176.600 0.046 0.000 1.048 312 K CA 1.511 57.884 56.287 0.143 0.000 0.930 312 K CB -0.207 32.467 32.500 0.290 0.000 0.714 312 K HN 0.417 nan 8.250 nan 0.000 0.438 313 K N -0.153 120.250 120.400 0.006 0.000 2.057 313 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 313 K C 0.894 177.481 176.600 -0.022 0.000 1.050 313 K CA 1.964 58.245 56.287 -0.010 0.000 0.935 313 K CB 0.145 32.629 32.500 -0.027 0.000 0.715 313 K HN 0.167 nan 8.250 nan 0.000 0.439 314 D N -0.675 119.692 120.400 -0.055 0.000 2.423 314 D HA 0.084 4.724 4.640 -0.001 0.000 0.208 314 D C 0.885 177.155 176.300 -0.050 0.000 1.068 314 D CA 0.544 54.515 54.000 -0.048 0.000 0.860 314 D CB 0.636 41.404 40.800 -0.053 0.000 0.992 314 D HN 0.267 nan 8.370 nan 0.000 0.504 315 M N -0.839 118.725 119.600 -0.061 0.000 2.511 315 M HA 0.270 4.749 4.480 -0.001 0.000 0.387 315 M C 0.691 177.100 176.300 0.181 0.000 1.112 315 M CA -0.095 55.209 55.300 0.006 0.000 0.921 315 M CB 2.005 34.525 32.600 -0.134 0.000 1.501 315 M HN -0.039 nan 8.290 nan 0.000 0.538 316 G N 1.032 109.897 108.800 0.107 0.000 2.179 316 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.257 316 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.257 316 G C -0.247 174.697 174.900 0.073 0.000 1.010 316 G CA -0.194 44.949 45.100 0.070 0.000 0.736 316 G HN 0.374 nan 8.290 nan 0.000 0.513 317 F N 2.074 121.888 119.950 -0.226 0.000 2.495 317 F HA 0.464 4.991 4.527 -0.001 0.000 0.365 317 F C 1.557 177.031 175.800 -0.543 0.000 1.090 317 F CA 0.104 57.837 58.000 -0.445 0.000 1.235 317 F CB 0.779 39.424 39.000 -0.593 0.000 1.119 317 F HN 0.243 nan 8.300 nan 0.000 0.562 318 T N -0.681 113.586 114.554 -0.478 0.000 2.944 318 T HA 0.250 4.600 4.350 -0.001 0.000 0.284 318 T C 1.092 175.525 174.700 -0.444 0.000 1.010 318 T CA -0.740 61.154 62.100 -0.344 0.000 1.025 318 T CB 1.419 70.154 68.868 -0.221 0.000 1.079 318 T HN 0.718 nan 8.240 nan 0.000 0.516 319 E N 0.198 120.341 120.200 -0.094 0.000 2.130 319 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 319 E C 1.851 178.423 176.600 -0.046 0.000 0.998 319 E CA 1.605 58.073 56.400 0.113 0.000 0.806 319 E CB -0.049 29.770 29.700 0.199 0.000 0.738 319 E HN 0.860 nan 8.360 nan 0.000 0.459 320 E N 0.051 120.185 120.200 -0.110 0.000 2.058 320 E HA -0.270 4.080 4.350 -0.001 0.000 0.194 320 E C 1.978 178.458 176.600 -0.200 0.000 0.997 320 E CA 1.521 57.845 56.400 -0.126 0.000 0.801 320 E CB -0.006 29.630 29.700 -0.106 0.000 0.746 320 E HN 0.137 nan 8.360 nan 0.000 0.450 321 E N -0.221 119.787 120.200 -0.319 0.000 2.106 321 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 321 E C 1.645 178.049 176.600 -0.327 0.000 0.984 321 E CA 1.055 57.222 56.400 -0.389 0.000 0.806 321 E CB -0.295 29.032 29.700 -0.621 0.000 0.750 321 E HN 0.229 nan 8.360 nan 0.000 0.458 322 F N 1.206 120.950 119.950 -0.343 0.000 2.134 322 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 322 F C 2.086 177.490 175.800 -0.659 0.000 1.097 322 F CA 1.229 58.856 58.000 -0.622 0.000 1.264 322 F CB -0.599 37.652 39.000 -1.249 0.000 1.001 322 F HN 0.041 nan 8.300 nan 0.000 0.479 323 K N -0.174 120.026 120.400 -0.333 0.000 2.026 323 K HA -0.191 4.129 4.320 -0.001 0.000 0.208 323 K C 2.284 178.861 176.600 -0.040 0.000 1.048 323 K CA 1.392 57.535 56.287 -0.240 0.000 0.929 323 K CB -0.292 32.017 32.500 -0.318 0.000 0.713 323 K HN 0.104 nan 8.250 nan 0.000 0.439 324 R N 1.366 121.809 120.500 -0.094 0.000 2.080 324 R HA -0.185 4.155 4.340 -0.001 0.000 0.236 324 R C 2.459 178.706 176.300 -0.088 0.000 1.137 324 R CA 1.872 57.927 56.100 -0.075 0.000 0.943 324 R CB -0.392 29.839 30.300 -0.115 0.000 0.846 324 R HN 0.202 nan 8.270 nan 0.000 0.431 325 L N -0.827 120.299 121.223 -0.162 0.000 2.141 325 L HA 0.002 4.342 4.340 -0.001 0.000 0.209 325 L C 1.329 178.180 176.870 -0.032 0.000 1.094 325 L CA 1.845 56.544 54.840 -0.235 0.000 0.763 325 L CB -0.763 41.045 42.059 -0.418 0.000 0.908 325 L HN 0.050 nan 8.230 nan 0.000 0.437 326 N N 0.375 119.120 118.700 0.076 0.000 2.270 326 N HA 0.011 4.751 4.740 -0.001 0.000 0.181 326 N C 1.874 177.476 175.510 0.154 0.000 1.016 326 N CA 1.444 54.606 53.050 0.187 0.000 0.870 326 N CB -0.275 38.420 38.487 0.348 0.000 0.979 326 N HN 0.365 nan 8.380 nan 0.000 0.431 327 I N 0.761 121.413 120.570 0.136 0.000 2.315 327 I HA -0.218 3.952 4.170 -0.001 0.000 0.248 327 I C 1.625 177.783 176.117 0.069 0.000 1.117 327 I CA 0.781 62.139 61.300 0.096 0.000 1.404 327 I CB -0.173 37.879 38.000 0.087 0.000 1.071 327 I HN 0.193 nan 8.210 nan 0.000 0.419 328 N N 1.085 119.813 118.700 0.048 0.000 2.166 328 N HA -0.130 4.610 4.740 -0.001 0.000 0.186 328 N C 1.914 177.451 175.510 0.046 0.000 1.019 328 N CA 1.564 54.643 53.050 0.049 0.000 0.856 328 N CB -0.367 38.139 38.487 0.031 0.000 0.993 328 N HN 0.353 nan 8.380 nan 0.000 0.426 329 A N 0.965 123.829 122.820 0.074 0.000 1.902 329 A HA -0.021 4.298 4.320 -0.001 0.000 0.217 329 A C 2.368 179.913 177.584 -0.065 0.000 1.181 329 A CA 2.016 54.059 52.037 0.011 0.000 0.623 329 A CB -0.860 18.212 19.000 0.119 0.000 0.818 329 A HN 0.318 nan 8.150 nan 0.000 0.443 330 A N -0.356 122.464 122.820 0.000 0.000 1.902 330 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 330 A C 2.118 179.648 177.584 -0.090 0.000 1.181 330 A CA 1.804 53.820 52.037 -0.034 0.000 0.623 330 A CB -0.425 18.572 19.000 -0.005 0.000 0.818 330 A HN 0.533 nan 8.150 nan 0.000 0.443 331 K N -0.126 120.238 120.400 -0.061 0.000 2.148 331 K HA -0.031 4.288 4.320 -0.001 0.000 0.204 331 K C 1.686 178.206 176.600 -0.133 0.000 1.050 331 K CA 1.432 57.679 56.287 -0.066 0.000 0.942 331 K CB -0.075 32.414 32.500 -0.018 0.000 0.724 331 K HN 0.412 nan 8.250 nan 0.000 0.446 332 S N 0.895 116.459 115.700 -0.225 0.000 2.575 332 S HA 0.008 4.478 4.470 -0.001 0.000 0.215 332 S C 0.509 174.773 174.600 -0.560 0.000 0.966 332 S CA -0.228 57.742 58.200 -0.383 0.000 0.911 332 S CB 0.188 63.016 63.200 -0.620 0.000 0.780 332 S HN 0.340 nan 8.310 nan 0.000 0.514 333 S N 1.067 116.524 115.700 -0.405 0.000 2.580 333 S HA 0.194 4.664 4.470 -0.001 0.000 0.266 333 S C 0.057 174.397 174.600 -0.434 0.000 1.354 333 S CA -0.204 57.769 58.200 -0.377 0.000 1.008 333 S CB -0.067 63.047 63.200 -0.144 0.000 0.898 333 S HN 0.199 nan 8.310 nan 0.000 0.555 334 F N 0.314 120.184 119.950 -0.133 0.000 2.713 334 F HA 0.421 4.948 4.527 -0.001 0.000 0.294 334 F C 0.382 176.112 175.800 -0.117 0.000 1.152 334 F CA -0.927 56.883 58.000 -0.316 0.000 1.385 334 F CB -0.827 38.007 39.000 -0.277 0.000 0.981 334 F HN 0.313 nan 8.300 nan 0.000 0.514 335 L N 1.709 122.941 121.223 0.014 0.000 2.417 335 L HA 0.255 4.594 4.340 -0.001 0.000 0.268 335 L C -1.784 175.104 176.870 0.030 0.000 1.158 335 L CA -1.832 53.001 54.840 -0.012 0.000 0.819 335 L CB 0.329 42.263 42.059 -0.208 0.000 1.112 335 L HN -0.082 nan 8.230 nan 0.000 0.458 336 P HA -0.040 nan 4.420 nan 0.000 0.269 336 P C 0.453 177.762 177.300 0.014 0.000 1.217 336 P CA -0.151 62.983 63.100 0.056 0.000 0.783 336 P CB 0.542 32.271 31.700 0.047 0.000 0.898 337 E N 0.781 120.994 120.200 0.020 0.000 2.065 337 E HA -0.336 4.014 4.350 -0.001 0.000 0.201 337 E C 1.568 178.159 176.600 -0.016 0.000 1.016 337 E CA 1.599 58.000 56.400 0.002 0.000 0.818 337 E CB -0.063 29.643 29.700 0.009 0.000 0.749 337 E HN 0.403 nan 8.360 nan 0.000 0.453 338 E N 0.728 120.922 120.200 -0.011 0.000 2.077 338 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 338 E C 1.734 178.315 176.600 -0.031 0.000 0.989 338 E CA 1.658 58.048 56.400 -0.017 0.000 0.800 338 E CB -0.041 29.654 29.700 -0.008 0.000 0.746 338 E HN 0.350 nan 8.360 nan 0.000 0.452 339 E N -0.004 120.174 120.200 -0.038 0.000 2.107 339 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 339 E C 2.009 178.541 176.600 -0.114 0.000 0.982 339 E CA 0.822 57.181 56.400 -0.067 0.000 0.809 339 E CB -0.090 29.570 29.700 -0.067 0.000 0.756 339 E HN 0.141 nan 8.360 nan 0.000 0.459 340 K N 1.652 121.986 120.400 -0.111 0.000 2.057 340 K HA -0.200 4.119 4.320 -0.001 0.000 0.207 340 K C 2.189 178.737 176.600 -0.086 0.000 1.049 340 K CA 1.251 57.460 56.287 -0.129 0.000 0.931 340 K CB 0.051 32.491 32.500 -0.099 0.000 0.714 340 K HN -0.106 nan 8.250 nan 0.000 0.440 341 K N 0.944 121.309 120.400 -0.058 0.000 2.097 341 K HA -0.205 4.115 4.320 -0.001 0.000 0.206 341 K C 1.976 178.552 176.600 -0.040 0.000 1.049 341 K CA 1.610 57.871 56.287 -0.043 0.000 0.933 341 K CB -0.017 32.461 32.500 -0.035 0.000 0.717 341 K HN 0.226 nan 8.250 nan 0.000 0.442 342 E N 0.509 120.681 120.200 -0.046 0.000 2.077 342 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 342 E C 2.080 178.653 176.600 -0.045 0.000 0.989 342 E CA 1.002 57.378 56.400 -0.040 0.000 0.800 342 E CB -0.034 29.642 29.700 -0.040 0.000 0.746 342 E HN 0.241 nan 8.360 nan 0.000 0.452 343 L N 0.846 122.025 121.223 -0.073 0.000 2.056 343 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 343 L C 2.132 178.977 176.870 -0.042 0.000 1.078 343 L CA 1.433 56.226 54.840 -0.078 0.000 0.749 343 L CB -0.415 41.549 42.059 -0.157 0.000 0.901 343 L HN 0.190 nan 8.230 nan 0.000 0.433 344 L N -0.584 120.629 121.223 -0.016 0.000 2.046 344 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 344 L C 2.536 179.477 176.870 0.118 0.000 1.077 344 L CA 1.536 56.419 54.840 0.071 0.000 0.747 344 L CB -0.621 41.481 42.059 0.072 0.000 0.896 344 L HN 0.333 nan 8.230 nan 0.000 0.432 345 E N -0.247 119.975 120.200 0.037 0.000 2.085 345 E HA -0.296 4.054 4.350 -0.001 0.000 0.194 345 E C 2.274 178.892 176.600 0.030 0.000 0.994 345 E CA 1.317 57.736 56.400 0.031 0.000 0.801 345 E CB -0.176 29.521 29.700 -0.006 0.000 0.743 345 E HN 0.341 nan 8.360 nan 0.000 0.453 346 R N 0.936 121.428 120.500 -0.013 0.000 2.073 346 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 346 R C 2.395 178.619 176.300 -0.127 0.000 1.134 346 R CA 0.990 57.061 56.100 -0.049 0.000 0.952 346 R CB -0.183 30.088 30.300 -0.047 0.000 0.850 346 R HN 0.147 nan 8.270 nan 0.000 0.433 347 L N -0.432 120.670 121.223 -0.201 0.000 2.017 347 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 347 L C 2.315 178.817 176.870 -0.612 0.000 1.073 347 L CA 1.526 56.024 54.840 -0.571 0.000 0.745 347 L CB -0.636 41.092 42.059 -0.550 0.000 0.894 347 L HN 0.248 nan 8.230 nan 0.000 0.432 348 Y N -0.216 119.938 120.300 -0.242 0.000 2.181 348 Y HA -0.261 4.288 4.550 -0.001 0.000 0.288 348 Y C 2.907 178.785 175.900 -0.037 0.000 1.146 348 Y CA 1.553 59.606 58.100 -0.079 0.000 1.164 348 Y CB -0.277 38.169 38.460 -0.022 0.000 0.982 348 Y HN 0.077 nan 8.280 nan 0.000 0.515 349 R N 0.824 121.370 120.500 0.077 0.000 2.080 349 R HA -0.195 4.145 4.340 -0.001 0.000 0.236 349 R C 1.726 178.043 176.300 0.028 0.000 1.137 349 R CA 2.131 58.259 56.100 0.047 0.000 0.943 349 R CB -0.262 30.050 30.300 0.019 0.000 0.846 349 R HN 0.400 nan 8.270 nan 0.000 0.431 350 E N -0.760 119.420 120.200 -0.033 0.000 2.427 350 E HA -0.140 4.210 4.350 -0.001 0.000 0.196 350 E C 1.038 177.725 176.600 0.145 0.000 1.028 350 E CA 0.419 56.820 56.400 0.002 0.000 0.864 350 E CB 0.158 29.826 29.700 -0.052 0.000 0.813 350 E HN 0.457 nan 8.360 nan 0.000 0.514 351 Y N 1.070 121.362 120.300 -0.015 0.000 2.490 351 Y HA 0.086 4.635 4.550 -0.001 0.000 0.281 351 Y C 1.296 177.200 175.900 0.006 0.000 1.174 351 Y CA 0.062 58.152 58.100 -0.017 0.000 1.295 351 Y CB -0.103 38.325 38.460 -0.054 0.000 1.062 351 Y HN -0.057 nan 8.280 nan 0.000 0.522 352 Q N 0.000 119.900 119.800 0.166 0.000 2.315 352 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 352 Q CA 0.000 55.871 55.803 0.114 0.000 1.022 352 Q CB 0.000 28.795 28.738 0.095 0.000 1.108 352 Q HN 0.000 nan 8.270 nan 0.000 0.481