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 1hjw_1_B DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.896 175.900 -0.007 0.000 1.272 22 Y CA 0.000 58.097 58.100 -0.005 0.000 1.940 22 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 23 K N 2.415 122.899 120.400 0.140 0.000 2.144 23 K HA 0.644 4.964 4.320 -0.000 0.000 0.270 23 K C -1.293 175.310 176.600 0.005 0.000 1.005 23 K CA -0.882 55.419 56.287 0.024 0.000 0.932 23 K CB 1.234 33.625 32.500 -0.182 0.000 1.021 23 K HN 0.420 nan 8.250 nan 0.000 0.462 24 L N 3.612 124.844 121.223 0.015 0.000 2.442 24 L HA 0.256 4.596 4.340 -0.000 0.000 0.261 24 L C -1.469 175.393 176.870 -0.014 0.000 1.000 24 L CA -0.556 54.284 54.840 -0.001 0.000 0.882 24 L CB 1.508 43.583 42.059 0.026 0.000 1.207 24 L HN 0.268 nan 8.230 nan 0.000 0.443 25 V N 4.131 123.991 119.914 -0.090 0.000 2.368 25 V HA 0.370 4.490 4.120 -0.000 0.000 0.266 25 V C -0.138 175.933 176.094 -0.039 0.000 1.045 25 V CA -0.299 61.935 62.300 -0.110 0.000 0.899 25 V CB 0.801 32.463 31.823 -0.269 0.000 1.006 25 V HN 0.831 nan 8.190 nan 0.000 0.470 26 c N 5.397 123.959 118.600 -0.063 0.000 2.345 26 c HA 0.592 5.162 4.570 -0.000 0.000 0.323 26 c C -0.151 173.865 174.090 -0.123 0.000 1.276 26 c CA -1.297 55.008 56.329 -0.040 0.000 1.543 26 c CB 0.097 42.574 42.510 -0.054 0.000 2.211 26 c HN 0.742 nan 8.230 nan 0.000 0.493 27 Y N 1.375 121.641 120.300 -0.057 0.000 2.309 27 Y HA 0.422 4.972 4.550 -0.000 0.000 0.327 27 Y C 0.075 175.744 175.900 -0.384 0.000 1.172 27 Y CA 0.212 58.190 58.100 -0.203 0.000 1.280 27 Y CB 0.529 38.832 38.460 -0.262 0.000 1.234 27 Y HN 0.713 nan 8.280 nan 0.000 0.512 28 Y N 2.224 122.279 120.300 -0.408 0.000 2.446 28 Y HA 0.533 5.083 4.550 -0.000 0.000 0.345 28 Y C -0.532 174.858 175.900 -0.848 0.000 0.984 28 Y CA -1.189 56.567 58.100 -0.574 0.000 1.058 28 Y CB 1.526 39.720 38.460 -0.443 0.000 1.220 28 Y HN 0.634 nan 8.280 nan 0.000 0.455 29 T N 0.817 114.214 114.554 -1.929 0.000 2.823 29 T HA 0.308 4.658 4.350 -0.000 0.000 0.279 29 T C 0.790 174.363 174.700 -1.879 0.000 0.998 29 T CA -0.129 60.782 62.100 -1.983 0.000 0.994 29 T CB 1.364 68.698 68.868 -2.558 0.000 0.960 29 T HN 0.743 nan 8.240 nan 0.000 0.448 30 S N 1.616 116.643 115.700 -1.121 0.000 2.423 30 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 30 S C 1.550 175.943 174.600 -0.344 0.000 1.014 30 S CA 0.677 58.594 58.200 -0.471 0.000 0.965 30 S CB -0.984 62.291 63.200 0.125 0.000 0.785 30 S HN 1.002 nan 8.310 nan 0.000 0.495 31 W N 2.594 123.706 121.300 -0.314 0.000 3.180 31 W HA 0.353 5.013 4.660 -0.000 0.000 0.254 31 W C 1.665 178.032 176.519 -0.253 0.000 1.318 31 W CA 0.152 57.396 57.345 -0.170 0.000 1.608 31 W CB -0.707 28.802 29.460 0.081 0.000 1.124 31 W HN 0.322 nan 8.180 nan 0.000 0.694 32 S N 0.768 116.049 115.700 -0.700 0.000 2.561 32 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 32 S C 1.756 176.069 174.600 -0.478 0.000 0.977 32 S CA 0.839 58.699 58.200 -0.567 0.000 0.926 32 S CB -0.685 62.030 63.200 -0.809 0.000 0.769 32 S HN 0.694 nan 8.310 nan 0.000 0.533 33 Q N 0.128 119.527 119.800 -0.669 0.000 2.172 33 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 33 Q C 0.749 176.487 176.000 -0.437 0.000 0.964 33 Q CA 0.965 56.220 55.803 -0.913 0.000 0.855 33 Q CB -0.777 27.215 28.738 -1.244 0.000 0.918 33 Q HN 0.641 nan 8.270 nan 0.000 0.444 34 Y N 1.369 121.647 120.300 -0.038 0.000 2.477 34 Y HA 0.261 4.811 4.550 -0.000 0.000 0.303 34 Y C 0.172 176.147 175.900 0.126 0.000 1.202 34 Y CA -0.391 57.773 58.100 0.107 0.000 1.282 34 Y CB -0.151 38.420 38.460 0.184 0.000 1.071 34 Y HN 0.001 nan 8.280 nan 0.000 0.510 35 R N 0.942 121.568 120.500 0.210 0.000 2.410 35 R HA 0.161 4.501 4.340 -0.000 0.000 0.288 35 R C 0.345 176.821 176.300 0.293 0.000 1.051 35 R CA -0.596 55.660 56.100 0.259 0.000 1.021 35 R CB 0.846 31.298 30.300 0.254 0.000 1.032 35 R HN 0.299 nan 8.270 nan 0.000 0.481 36 E N 0.903 121.294 120.200 0.318 0.000 2.492 36 E HA -0.104 4.246 4.350 -0.000 0.000 0.266 36 E C 1.044 177.895 176.600 0.417 0.000 1.047 36 E CA 0.843 57.421 56.400 0.297 0.000 0.968 36 E CB 0.369 30.175 29.700 0.178 0.000 0.960 36 E HN 0.782 nan 8.360 nan 0.000 0.452 37 G N 3.462 112.451 108.800 0.315 0.000 2.627 37 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.400 37 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.400 37 G C 0.486 175.536 174.900 0.251 0.000 1.334 37 G CA 0.905 46.184 45.100 0.299 0.000 0.960 37 G HN 0.727 nan 8.290 nan 0.000 0.533 38 D N 1.150 121.660 120.400 0.183 0.000 2.384 38 D HA 0.092 4.732 4.640 -0.000 0.000 0.222 38 D C 2.309 178.499 176.300 -0.183 0.000 0.976 38 D CA 1.490 55.468 54.000 -0.037 0.000 0.915 38 D CB -0.863 39.845 40.800 -0.154 0.000 0.896 38 D HN 0.598 nan 8.370 nan 0.000 0.523 39 G N 0.186 108.898 108.800 -0.146 0.000 2.408 39 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 39 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 39 G C 0.847 175.847 174.900 0.166 0.000 1.150 39 G CA 0.276 45.286 45.100 -0.150 0.000 0.776 39 G HN 0.341 nan 8.290 nan 0.000 0.542 40 S N -0.540 115.270 115.700 0.182 0.000 2.544 40 S HA 0.190 4.659 4.470 -0.000 0.000 0.290 40 S C -0.184 174.451 174.600 0.058 0.000 1.276 40 S CA -0.379 57.868 58.200 0.079 0.000 1.075 40 S CB -0.150 63.129 63.200 0.132 0.000 0.849 40 S HN 0.333 nan 8.310 nan 0.000 0.494 41 C N 6.987 126.125 119.300 -0.271 0.000 2.396 41 C HA 0.789 5.249 4.460 -0.000 0.000 0.321 41 C C -1.136 173.634 174.990 -0.367 0.000 1.233 41 C CA -0.803 57.991 59.018 -0.374 0.000 1.440 41 C CB -0.374 26.836 27.740 -0.884 0.000 2.110 41 C HN 0.864 nan 8.230 nan 0.000 0.473 42 F N 5.189 125.147 119.950 0.013 0.000 2.561 42 F HA 0.469 4.996 4.527 -0.000 0.000 0.321 42 F C -1.510 174.169 175.800 -0.201 0.000 1.065 42 F CA -2.001 56.003 58.000 0.007 0.000 0.934 42 F CB 1.425 40.425 39.000 -0.001 0.000 1.215 42 F HN 0.366 nan 8.300 nan 0.000 0.471 43 P HA -0.207 nan 4.420 nan 0.000 0.219 43 P C 1.240 178.438 177.300 -0.170 0.000 1.144 43 P CA 1.406 64.207 63.100 -0.498 0.000 0.806 43 P CB 0.215 31.727 31.700 -0.313 0.000 0.771 44 D N 0.038 120.434 120.400 -0.007 0.000 2.149 44 D HA -0.186 4.453 4.640 -0.000 0.000 0.194 44 D C 1.414 177.749 176.300 0.058 0.000 1.001 44 D CA 1.696 55.713 54.000 0.028 0.000 0.849 44 D CB -0.521 40.314 40.800 0.058 0.000 0.939 44 D HN 0.096 nan 8.370 nan 0.000 0.449 45 A N -0.350 122.540 122.820 0.115 0.000 2.337 45 A HA 0.287 4.607 4.320 -0.000 0.000 0.227 45 A C 0.922 178.666 177.584 0.268 0.000 1.259 45 A CA -0.332 51.827 52.037 0.203 0.000 0.870 45 A CB -0.222 18.969 19.000 0.317 0.000 0.927 45 A HN 0.231 nan 8.150 nan 0.000 0.497 46 L N -0.715 120.569 121.223 0.103 0.000 2.479 46 L HA 0.290 4.630 4.340 -0.000 0.000 0.249 46 L C 0.160 177.006 176.870 -0.041 0.000 1.178 46 L CA -0.620 54.233 54.840 0.022 0.000 0.811 46 L CB 0.519 42.472 42.059 -0.177 0.000 1.187 46 L HN 0.163 nan 8.230 nan 0.000 0.480 47 D N 0.177 120.437 120.400 -0.234 0.000 2.477 47 D HA 0.133 4.773 4.640 -0.000 0.000 0.239 47 D C 1.100 177.256 176.300 -0.240 0.000 1.102 47 D CA -0.463 53.441 54.000 -0.160 0.000 0.901 47 D CB 0.825 41.548 40.800 -0.129 0.000 1.026 47 D HN 0.484 nan 8.370 nan 0.000 0.515 48 R N 1.811 122.117 120.500 -0.323 0.000 2.174 48 R HA -0.206 4.133 4.340 -0.000 0.000 0.253 48 R C 1.024 177.044 176.300 -0.467 0.000 1.165 48 R CA 1.435 57.266 56.100 -0.448 0.000 0.984 48 R CB -0.603 29.334 30.300 -0.605 0.000 0.873 48 R HN 0.255 nan 8.270 nan 0.000 0.456 49 F N 0.492 120.406 119.950 -0.060 0.000 2.615 49 F HA 0.090 4.617 4.527 -0.000 0.000 0.297 49 F C 1.960 177.726 175.800 -0.056 0.000 1.124 49 F CA -0.126 57.847 58.000 -0.046 0.000 1.451 49 F CB -0.364 38.622 39.000 -0.023 0.000 1.103 49 F HN -0.043 nan 8.300 nan 0.000 0.569 50 L N -0.194 121.041 121.223 0.020 0.000 1.937 50 L HA -0.112 4.227 4.340 -0.000 0.000 0.213 50 L C 1.067 177.914 176.870 -0.039 0.000 1.077 50 L CA 1.301 56.116 54.840 -0.042 0.000 0.758 50 L CB -0.521 41.411 42.059 -0.211 0.000 0.888 50 L HN 0.072 nan 8.230 nan 0.000 0.433 51 c N -0.977 117.573 118.600 -0.085 0.000 2.422 51 c HA 0.409 4.979 4.570 -0.000 0.000 0.364 51 c C 2.012 176.091 174.090 -0.019 0.000 1.251 51 c CA 0.078 56.381 56.329 -0.044 0.000 2.441 51 c CB 0.875 43.345 42.510 -0.067 0.000 2.393 51 c HN 0.685 nan 8.230 nan 0.000 0.606 52 T N -2.648 111.930 114.554 0.040 0.000 3.037 52 T HA 0.135 4.485 4.350 -0.000 0.000 0.251 52 T C 0.342 174.978 174.700 -0.107 0.000 1.079 52 T CA 0.794 62.915 62.100 0.034 0.000 1.067 52 T CB -0.113 68.858 68.868 0.173 0.000 0.948 52 T HN 0.799 nan 8.240 nan 0.000 0.496 53 H N -0.074 118.969 119.070 -0.045 0.000 2.954 53 H HA 0.501 5.056 4.556 -0.000 0.000 0.361 53 H C -1.293 173.993 175.328 -0.069 0.000 1.122 53 H CA -0.903 55.127 56.048 -0.029 0.000 1.217 53 H CB 2.046 31.806 29.762 -0.003 0.000 1.776 53 H HN 0.165 nan 8.280 nan 0.000 0.533 54 I N 4.401 124.993 120.570 0.037 0.000 2.418 54 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 54 I C -0.138 175.949 176.117 -0.050 0.000 1.008 54 I CA -0.585 60.692 61.300 -0.037 0.000 1.104 54 I CB 2.068 40.039 38.000 -0.048 0.000 1.264 54 I HN 0.316 nan 8.210 nan 0.000 0.438 55 I N 6.109 126.568 120.570 -0.185 0.000 2.321 55 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 55 I C -0.616 175.440 176.117 -0.101 0.000 0.998 55 I CA -0.709 60.460 61.300 -0.218 0.000 1.227 55 I CB 1.098 38.754 38.000 -0.574 0.000 1.368 55 I HN 0.497 nan 8.210 nan 0.000 0.466 56 Y N 6.492 126.686 120.300 -0.177 0.000 2.359 56 Y HA 0.239 4.789 4.550 -0.000 0.000 0.334 56 Y C 0.445 176.287 175.900 -0.097 0.000 1.058 56 Y CA -0.006 58.043 58.100 -0.085 0.000 1.244 56 Y CB 0.867 39.251 38.460 -0.126 0.000 1.187 56 Y HN 0.624 nan 8.280 nan 0.000 0.510 57 S N 5.608 121.068 115.700 -0.399 0.000 2.594 57 S HA 0.729 5.199 4.470 -0.000 0.000 0.296 57 S C -1.243 173.172 174.600 -0.309 0.000 1.124 57 S CA -0.666 57.175 58.200 -0.598 0.000 1.011 57 S CB 1.128 63.464 63.200 -1.439 0.000 1.016 57 S HN 0.490 nan 8.310 nan 0.000 0.485 58 F N 0.660 120.789 119.950 0.297 0.000 2.764 58 F HA 0.909 5.435 4.527 -0.000 0.000 0.347 58 F C 0.300 176.317 175.800 0.362 0.000 1.151 58 F CA -0.793 57.352 58.000 0.242 0.000 1.021 58 F CB 1.501 40.491 39.000 -0.016 0.000 1.438 58 F HN 0.919 nan 8.300 nan 0.000 0.516 59 A N 0.971 124.114 122.820 0.538 0.000 2.413 59 A HA 0.683 5.003 4.320 -0.000 0.000 0.307 59 A C -1.430 176.424 177.584 0.450 0.000 1.087 59 A CA -0.609 51.709 52.037 0.468 0.000 0.750 59 A CB 1.503 20.654 19.000 0.251 0.000 1.296 59 A HN 0.688 nan 8.150 nan 0.000 0.423 60 N N -0.067 118.967 118.700 0.557 0.000 2.443 60 N HA 0.633 5.373 4.740 -0.000 0.000 0.293 60 N C -1.174 174.490 175.510 0.257 0.000 1.159 60 N CA -0.470 52.939 53.050 0.600 0.000 0.904 60 N CB 1.051 39.887 38.487 0.582 0.000 1.214 60 N HN 0.471 nan 8.380 nan 0.000 0.513 61 I N 2.367 123.051 120.570 0.190 0.000 2.621 61 I HA 0.130 4.300 4.170 -0.000 0.000 0.276 61 I C 0.815 176.916 176.117 -0.028 0.000 1.118 61 I CA -0.184 61.072 61.300 -0.072 0.000 1.159 61 I CB 0.530 38.261 38.000 -0.448 0.000 1.357 61 I HN 0.654 nan 8.210 nan 0.000 0.513 62 S N 4.205 119.927 115.700 0.037 0.000 2.288 62 S HA -0.104 4.366 4.470 -0.000 0.000 0.198 62 S C 1.803 176.416 174.600 0.022 0.000 1.021 62 S CA 0.738 58.941 58.200 0.005 0.000 0.973 62 S CB -0.451 62.765 63.200 0.027 0.000 0.946 62 S HN 0.654 nan 8.310 nan 0.000 0.470 63 N N 2.262 121.009 118.700 0.079 0.000 2.053 63 N HA -0.274 4.465 4.740 -0.000 0.000 0.200 63 N C 0.684 176.282 175.510 0.145 0.000 1.041 63 N CA 2.612 55.730 53.050 0.114 0.000 0.882 63 N CB -0.579 37.997 38.487 0.147 0.000 1.080 63 N HN 0.733 nan 8.380 nan 0.000 0.481 64 D N -3.387 117.149 120.400 0.227 0.000 4.009 64 D HA -0.050 4.590 4.640 -0.000 0.000 0.329 64 D C -0.949 175.445 176.300 0.155 0.000 0.558 64 D CA -0.148 53.924 54.000 0.120 0.000 0.776 64 D CB -0.527 40.339 40.800 0.109 0.000 1.651 64 D HN 0.336 nan 8.370 nan 0.000 0.171 65 H N 0.557 119.714 119.070 0.144 0.000 2.651 65 H HA 0.508 5.063 4.556 -0.000 0.000 0.353 65 H C -0.039 175.439 175.328 0.251 0.000 1.178 65 H CA -0.406 55.805 56.048 0.271 0.000 1.224 65 H CB 1.815 31.721 29.762 0.241 0.000 1.702 65 H HN -0.003 nan 8.280 nan 0.000 0.550 66 I N 1.317 122.178 120.570 0.486 0.000 2.496 66 I HA 0.084 4.254 4.170 -0.000 0.000 0.285 66 I C -0.484 175.804 176.117 0.284 0.000 1.080 66 I CA 0.556 62.002 61.300 0.242 0.000 1.404 66 I CB 0.166 38.265 38.000 0.166 0.000 1.403 66 I HN 0.644 nan 8.210 nan 0.000 0.539 67 D N 3.820 124.397 120.400 0.295 0.000 2.714 67 D HA 0.439 5.079 4.640 -0.000 0.000 0.278 67 D C -0.577 176.035 176.300 0.520 0.000 1.102 67 D CA -0.137 54.195 54.000 0.554 0.000 1.108 67 D CB 1.646 42.667 40.800 0.368 0.000 1.444 67 D HN 0.614 nan 8.370 nan 0.000 0.568 68 T N -2.387 112.501 114.554 0.557 0.000 2.770 68 T HA 0.109 4.458 4.350 -0.000 0.000 0.281 68 T C 0.229 175.216 174.700 0.477 0.000 0.981 68 T CA -0.373 62.038 62.100 0.517 0.000 0.955 68 T CB 0.915 69.972 68.868 0.315 0.000 1.060 68 T HN 0.543 nan 8.240 nan 0.000 0.531 69 W N 0.062 121.549 121.300 0.312 0.000 3.283 69 W HA 0.325 4.984 4.660 -0.000 0.000 0.235 69 W C -0.297 176.405 176.519 0.305 0.000 1.123 69 W CA -0.044 57.490 57.345 0.315 0.000 1.534 69 W CB 0.487 30.186 29.460 0.399 0.000 0.839 69 W HN 0.744 nan 8.180 nan 0.000 0.734 70 E N 1.832 122.350 120.200 0.531 0.000 2.210 70 E HA 0.072 4.422 4.350 -0.000 0.000 0.266 70 E C 1.053 177.845 176.600 0.320 0.000 0.883 70 E CA -0.552 56.151 56.400 0.504 0.000 0.761 70 E CB 1.027 31.105 29.700 0.629 0.000 1.156 70 E HN 0.004 nan 8.360 nan 0.000 0.412 71 W N 4.848 126.248 121.300 0.167 0.000 2.238 71 W HA -0.364 4.296 4.660 -0.000 0.000 0.346 71 W C 0.808 177.379 176.519 0.086 0.000 1.418 71 W CA 2.259 59.671 57.345 0.111 0.000 1.403 71 W CB -1.273 28.254 29.460 0.111 0.000 1.083 71 W HN 0.543 nan 8.180 nan 0.000 0.474 72 N N 1.122 119.368 118.700 -0.756 0.000 2.370 72 N HA -0.075 4.665 4.740 -0.000 0.000 0.198 72 N C 0.703 175.962 175.510 -0.419 0.000 1.156 72 N CA 0.954 53.597 53.050 -0.678 0.000 0.839 72 N CB -0.887 36.919 38.487 -1.136 0.000 0.989 72 N HN 0.053 nan 8.380 nan 0.000 0.468 73 D N 0.926 121.118 120.400 -0.346 0.000 2.149 73 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 73 D C 2.103 177.794 176.300 -1.014 0.000 1.001 73 D CA 1.533 55.181 54.000 -0.586 0.000 0.849 73 D CB 0.010 40.502 40.800 -0.513 0.000 0.939 73 D HN 0.270 nan 8.370 nan 0.000 0.449 74 V N -1.401 118.134 119.914 -0.631 0.000 2.324 74 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 74 V C 2.118 178.062 176.094 -0.249 0.000 1.060 74 V CA 2.355 64.405 62.300 -0.416 0.000 1.042 74 V CB -1.457 30.271 31.823 -0.157 0.000 0.650 74 V HN 0.083 nan 8.190 nan 0.000 0.450 75 T N 0.941 115.360 114.554 -0.224 0.000 2.812 75 T HA 0.016 4.366 4.350 -0.000 0.000 0.264 75 T C 1.878 176.525 174.700 -0.088 0.000 1.042 75 T CA 1.708 63.724 62.100 -0.140 0.000 1.140 75 T CB -0.389 68.380 68.868 -0.165 0.000 0.870 75 T HN 0.337 nan 8.240 nan 0.000 0.445 76 L N 0.170 121.340 121.223 -0.088 0.000 2.093 76 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 76 L C 2.268 179.236 176.870 0.163 0.000 1.085 76 L CA 1.340 56.236 54.840 0.094 0.000 0.755 76 L CB -1.304 40.911 42.059 0.260 0.000 0.904 76 L HN 0.230 nan 8.230 nan 0.000 0.435 77 Y N 0.085 120.322 120.300 -0.106 0.000 2.241 77 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 77 Y C 2.438 178.239 175.900 -0.165 0.000 1.166 77 Y CA 0.914 58.892 58.100 -0.204 0.000 1.203 77 Y CB -1.453 36.781 38.460 -0.377 0.000 0.977 77 Y HN 0.186 nan 8.280 nan 0.000 0.529 78 G N -0.883 107.944 108.800 0.044 0.000 2.425 78 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.213 78 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.213 78 G C 1.762 176.658 174.900 -0.008 0.000 1.201 78 G CA 0.731 45.826 45.100 -0.008 0.000 0.799 78 G HN 0.246 nan 8.290 nan 0.000 0.534 79 M N -0.191 119.409 119.600 -0.001 0.000 2.153 79 M HA -0.179 4.301 4.480 -0.000 0.000 0.253 79 M C 2.430 178.716 176.300 -0.023 0.000 1.081 79 M CA 1.259 56.549 55.300 -0.017 0.000 1.076 79 M CB -0.537 32.059 32.600 -0.005 0.000 1.350 79 M HN 0.304 nan 8.290 nan 0.000 0.401 80 L N 1.225 122.457 121.223 0.016 0.000 1.925 80 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 80 L C 1.965 178.830 176.870 -0.009 0.000 1.082 80 L CA 1.976 56.825 54.840 0.014 0.000 0.764 80 L CB -1.063 41.093 42.059 0.162 0.000 0.887 80 L HN 0.274 nan 8.230 nan 0.000 0.432 81 N N -0.725 117.976 118.700 0.001 0.000 2.322 81 N HA -0.191 4.549 4.740 -0.000 0.000 0.189 81 N C 1.504 176.984 175.510 -0.050 0.000 1.012 81 N CA 1.757 54.788 53.050 -0.031 0.000 0.880 81 N CB -0.586 37.857 38.487 -0.074 0.000 0.967 81 N HN 0.524 nan 8.380 nan 0.000 0.439 82 T N 1.303 115.828 114.554 -0.050 0.000 3.007 82 T HA 0.054 4.404 4.350 -0.000 0.000 0.270 82 T C 2.065 176.723 174.700 -0.071 0.000 1.107 82 T CA 0.300 62.367 62.100 -0.054 0.000 1.118 82 T CB 0.047 68.886 68.868 -0.047 0.000 0.889 82 T HN 0.213 nan 8.240 nan 0.000 0.506 83 L N 0.387 121.556 121.223 -0.089 0.000 2.156 83 L HA 0.030 4.369 4.340 -0.000 0.000 0.208 83 L C 2.439 179.215 176.870 -0.157 0.000 1.095 83 L CA 1.031 55.789 54.840 -0.137 0.000 0.770 83 L CB -0.388 41.574 42.059 -0.161 0.000 0.914 83 L HN 0.166 nan 8.230 nan 0.000 0.439 84 K N 0.298 120.629 120.400 -0.115 0.000 2.281 84 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 84 K C 1.582 178.133 176.600 -0.082 0.000 1.046 84 K CA 1.222 57.448 56.287 -0.102 0.000 0.938 84 K CB -0.415 32.044 32.500 -0.068 0.000 0.737 84 K HN 0.468 nan 8.250 nan 0.000 0.458 85 N N 0.882 119.540 118.700 -0.070 0.000 2.011 85 N HA -0.206 4.534 4.740 -0.000 0.000 0.199 85 N C 1.822 177.313 175.510 -0.031 0.000 1.047 85 N CA 1.313 54.336 53.050 -0.044 0.000 0.863 85 N CB -0.093 38.371 38.487 -0.037 0.000 1.056 85 N HN 0.199 nan 8.380 nan 0.000 0.427 86 R N 0.248 120.722 120.500 -0.043 0.000 2.090 86 R HA 0.037 4.377 4.340 -0.000 0.000 0.228 86 R C 0.457 176.775 176.300 0.031 0.000 1.110 86 R CA 0.604 56.715 56.100 0.018 0.000 0.973 86 R CB -0.305 30.024 30.300 0.049 0.000 0.869 86 R HN 0.203 nan 8.270 nan 0.000 0.440 87 N N 0.896 119.530 118.700 -0.111 0.000 2.707 87 N HA 0.145 4.885 4.740 -0.000 0.000 0.235 87 N C -2.324 173.144 175.510 -0.071 0.000 1.028 87 N CA -1.930 51.070 53.050 -0.084 0.000 0.906 87 N CB 1.715 40.011 38.487 -0.318 0.000 1.131 87 N HN -0.145 nan 8.380 nan 0.000 0.509 88 P HA 0.077 nan 4.420 nan 0.000 0.231 88 P C 0.903 178.185 177.300 -0.029 0.000 1.168 88 P CA 0.513 63.597 63.100 -0.026 0.000 0.779 88 P CB 0.444 32.140 31.700 -0.008 0.000 0.844 89 N N -0.494 118.196 118.700 -0.016 0.000 2.453 89 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 89 N C 0.440 175.912 175.510 -0.062 0.000 1.041 89 N CA 0.199 53.238 53.050 -0.018 0.000 0.900 89 N CB -0.589 37.908 38.487 0.016 0.000 0.961 89 N HN 0.002 nan 8.380 nan 0.000 0.443 90 L N 0.712 121.885 121.223 -0.084 0.000 2.417 90 L HA 0.297 4.637 4.340 -0.000 0.000 0.268 90 L C -0.494 176.288 176.870 -0.147 0.000 1.158 90 L CA 0.227 54.988 54.840 -0.133 0.000 0.819 90 L CB 0.683 42.658 42.059 -0.139 0.000 1.112 90 L HN -0.043 nan 8.230 nan 0.000 0.458 91 K N 2.250 122.510 120.400 -0.233 0.000 2.375 91 K HA 0.673 4.993 4.320 -0.000 0.000 0.249 91 K C -1.123 175.427 176.600 -0.082 0.000 0.942 91 K CA -0.675 55.499 56.287 -0.188 0.000 0.806 91 K CB 2.124 34.417 32.500 -0.345 0.000 1.227 91 K HN 0.791 nan 8.250 nan 0.000 0.430 92 T N -0.137 114.448 114.554 0.052 0.000 2.952 92 T HA 0.610 4.960 4.350 -0.000 0.000 0.305 92 T C -0.930 173.863 174.700 0.154 0.000 1.064 92 T CA -0.834 61.339 62.100 0.121 0.000 1.008 92 T CB 0.835 69.818 68.868 0.191 0.000 1.078 92 T HN 0.196 nan 8.240 nan 0.000 0.459 93 L N 2.045 123.299 121.223 0.051 0.000 2.299 93 L HA 0.858 5.198 4.340 -0.000 0.000 0.268 93 L C -0.752 175.874 176.870 -0.407 0.000 1.012 93 L CA -1.175 53.631 54.840 -0.056 0.000 0.816 93 L CB 1.466 43.547 42.059 0.037 0.000 1.355 93 L HN 0.767 nan 8.230 nan 0.000 0.457 94 L N -0.277 120.679 121.223 -0.445 0.000 2.381 94 L HA 0.683 5.023 4.340 -0.000 0.000 0.274 94 L C -0.468 176.364 176.870 -0.064 0.000 0.988 94 L CA 0.069 54.576 54.840 -0.555 0.000 0.824 94 L CB 1.737 43.262 42.059 -0.889 0.000 1.263 94 L HN 0.521 nan 8.230 nan 0.000 0.410 95 S N 3.530 119.310 115.700 0.133 0.000 2.541 95 S HA 0.774 5.244 4.470 -0.000 0.000 0.283 95 S C -1.090 173.783 174.600 0.455 0.000 1.196 95 S CA -0.469 57.949 58.200 0.363 0.000 1.062 95 S CB 1.401 64.963 63.200 0.603 0.000 1.009 95 S HN 0.687 nan 8.310 nan 0.000 0.502 96 V N 5.102 125.219 119.914 0.338 0.000 2.540 96 V HA 0.842 4.962 4.120 -0.000 0.000 0.302 96 V C 0.500 176.544 176.094 -0.083 0.000 1.035 96 V CA 1.074 63.462 62.300 0.145 0.000 0.873 96 V CB 0.655 32.554 31.823 0.127 0.000 0.992 96 V HN 1.429 nan 8.190 nan 0.000 0.428 97 G N 4.160 112.547 108.800 -0.688 0.000 2.341 97 G HA2 0.525 4.485 3.960 -0.000 0.000 0.196 97 G HA3 0.525 4.485 3.960 -0.000 0.000 0.196 97 G C 0.301 174.352 174.900 -1.415 0.000 1.231 97 G CA -0.021 44.472 45.100 -1.012 0.000 1.155 97 G HN 2.584 nan 8.290 nan 0.000 0.529 98 G N -2.501 105.720 108.800 -0.965 0.000 2.357 98 G HA2 0.315 4.275 3.960 -0.000 0.000 0.643 98 G HA3 0.315 4.275 3.960 -0.000 0.000 0.643 98 G C 0.602 175.307 174.900 -0.325 0.000 1.358 98 G CA 0.344 44.857 45.100 -0.978 0.000 0.986 98 G HN 1.950 nan 8.290 nan 0.000 0.620 99 W N 0.733 121.847 121.300 -0.310 0.000 2.317 99 W HA -0.095 4.565 4.660 -0.000 0.000 0.318 99 W C 0.485 176.923 176.519 -0.135 0.000 1.227 99 W CA 1.645 58.855 57.345 -0.225 0.000 1.269 99 W CB 0.102 29.458 29.460 -0.172 0.000 1.155 99 W HN 0.471 nan 8.180 nan 0.000 0.484 100 N N 0.956 119.557 118.700 -0.165 0.000 2.663 100 N HA 0.132 4.872 4.740 -0.000 0.000 0.250 100 N C -0.480 175.011 175.510 -0.032 0.000 1.129 100 N CA 0.577 53.507 53.050 -0.201 0.000 0.995 100 N CB -0.017 38.414 38.487 -0.092 0.000 1.324 100 N HN 0.162 nan 8.380 nan 0.000 0.512 101 F N -0.279 119.507 119.950 -0.273 0.000 2.780 101 F HA 0.109 4.636 4.527 -0.000 0.000 0.434 101 F C 0.776 176.477 175.800 -0.165 0.000 0.910 101 F CA 0.748 58.657 58.000 -0.153 0.000 0.819 101 F CB -0.245 38.650 39.000 -0.175 0.000 1.400 101 F HN 0.412 nan 8.300 nan 0.000 0.541 102 G N 1.259 110.012 108.800 -0.079 0.000 2.955 102 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.604 102 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.604 102 G C 0.618 175.556 174.900 0.065 0.000 1.572 102 G CA 0.084 45.114 45.100 -0.117 0.000 1.016 102 G HN 0.453 nan 8.290 nan 0.000 0.569 103 S N 0.598 116.358 115.700 0.099 0.000 2.470 103 S HA -0.047 4.422 4.470 -0.000 0.000 0.225 103 S C 2.299 176.979 174.600 0.134 0.000 1.006 103 S CA 1.323 59.702 58.200 0.300 0.000 0.934 103 S CB -0.033 63.471 63.200 0.508 0.000 0.778 103 S HN 0.639 nan 8.310 nan 0.000 0.517 104 Q N 2.051 121.877 119.800 0.044 0.000 2.012 104 Q HA -0.175 4.164 4.340 -0.000 0.000 0.211 104 Q C 2.229 178.202 176.000 -0.044 0.000 1.009 104 Q CA 1.526 57.327 55.803 -0.002 0.000 0.866 104 Q CB -0.509 28.200 28.738 -0.049 0.000 0.945 104 Q HN 0.516 nan 8.270 nan 0.000 0.414 105 R N -0.063 120.380 120.500 -0.094 0.000 2.205 105 R HA -0.160 4.180 4.340 -0.000 0.000 0.221 105 R C 2.326 178.513 176.300 -0.189 0.000 1.101 105 R CA 1.401 57.406 56.100 -0.160 0.000 0.869 105 R CB -1.504 28.658 30.300 -0.229 0.000 0.815 105 R HN 0.216 nan 8.270 nan 0.000 0.434 106 F N 1.522 121.251 119.950 -0.368 0.000 2.053 106 F HA -0.371 4.156 4.527 -0.000 0.000 0.295 106 F C 3.101 178.494 175.800 -0.678 0.000 1.102 106 F CA 2.332 59.895 58.000 -0.729 0.000 1.225 106 F CB -0.980 37.050 39.000 -1.615 0.000 0.961 106 F HN 0.208 nan 8.300 nan 0.000 0.495 107 S N -0.426 115.080 115.700 -0.323 0.000 2.369 107 S HA -0.350 4.120 4.470 -0.000 0.000 0.225 107 S C 2.237 176.875 174.600 0.063 0.000 1.043 107 S CA 2.062 60.280 58.200 0.031 0.000 1.074 107 S CB -0.573 62.759 63.200 0.220 0.000 0.962 107 S HN 0.458 nan 8.310 nan 0.000 0.433 108 K N 0.262 120.666 120.400 0.006 0.000 2.113 108 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 108 K C 2.000 178.594 176.600 -0.010 0.000 1.047 108 K CA 1.842 58.132 56.287 0.004 0.000 0.928 108 K CB -0.322 32.159 32.500 -0.031 0.000 0.716 108 K HN 0.549 nan 8.250 nan 0.000 0.446 109 I N 0.678 121.215 120.570 -0.054 0.000 2.188 109 I HA -0.153 4.017 4.170 -0.000 0.000 0.237 109 I C 2.449 178.573 176.117 0.011 0.000 1.073 109 I CA 1.090 62.361 61.300 -0.050 0.000 1.359 109 I CB -0.441 37.478 38.000 -0.135 0.000 1.083 109 I HN 0.154 nan 8.210 nan 0.000 0.412 110 A N 0.771 123.623 122.820 0.053 0.000 2.172 110 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 110 A C 2.409 180.015 177.584 0.035 0.000 1.154 110 A CA 1.748 53.865 52.037 0.134 0.000 0.701 110 A CB -0.697 18.493 19.000 0.317 0.000 0.789 110 A HN 0.573 nan 8.150 nan 0.000 0.465 111 S N -0.355 115.376 115.700 0.052 0.000 2.395 111 S HA 0.000 4.470 4.470 -0.000 0.000 0.225 111 S C 0.854 175.370 174.600 -0.139 0.000 1.027 111 S CA 0.312 58.481 58.200 -0.053 0.000 0.965 111 S CB -0.341 62.976 63.200 0.195 0.000 0.812 111 S HN 0.430 nan 8.310 nan 0.000 0.482 112 N N 1.578 120.249 118.700 -0.047 0.000 2.434 112 N HA 0.316 5.056 4.740 -0.000 0.000 0.272 112 N C 0.360 175.845 175.510 -0.041 0.000 1.040 112 N CA 0.121 53.149 53.050 -0.036 0.000 0.956 112 N CB 1.421 39.903 38.487 -0.009 0.000 1.108 112 N HN 0.223 nan 8.380 nan 0.000 0.481 113 T N 2.019 116.547 114.554 -0.043 0.000 2.946 113 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 113 T C 1.514 176.206 174.700 -0.013 0.000 1.104 113 T CA 1.051 63.133 62.100 -0.031 0.000 1.114 113 T CB 0.147 69.001 68.868 -0.023 0.000 0.867 113 T HN 0.483 nan 8.240 nan 0.000 0.513 114 Q N 1.187 120.982 119.800 -0.009 0.000 2.016 114 Q HA 0.042 4.382 4.340 -0.000 0.000 0.200 114 Q C 2.593 178.594 176.000 0.001 0.000 0.978 114 Q CA 1.295 57.097 55.803 -0.001 0.000 0.833 114 Q CB -0.728 28.011 28.738 0.002 0.000 0.895 114 Q HN 0.453 nan 8.270 nan 0.000 0.427 115 S N 1.073 116.774 115.700 0.001 0.000 2.496 115 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 115 S C 1.797 176.413 174.600 0.028 0.000 0.996 115 S CA 0.557 58.760 58.200 0.005 0.000 0.927 115 S CB 0.056 63.252 63.200 -0.006 0.000 0.774 115 S HN 0.411 nan 8.310 nan 0.000 0.524 116 R N 1.407 121.930 120.500 0.038 0.000 2.062 116 R HA 0.182 4.522 4.340 -0.000 0.000 0.226 116 R C 1.954 178.277 176.300 0.039 0.000 1.125 116 R CA 0.463 56.613 56.100 0.084 0.000 0.966 116 R CB -0.394 29.953 30.300 0.077 0.000 0.861 116 R HN 0.052 nan 8.270 nan 0.000 0.433 117 R N 0.970 121.470 120.500 0.001 0.000 2.139 117 R HA -0.079 4.260 4.340 -0.000 0.000 0.243 117 R C 2.024 178.293 176.300 -0.052 0.000 1.145 117 R CA 2.001 58.087 56.100 -0.024 0.000 0.976 117 R CB -0.870 29.420 30.300 -0.016 0.000 0.866 117 R HN 0.451 nan 8.270 nan 0.000 0.449 118 T N 1.104 115.619 114.554 -0.065 0.000 2.569 118 T HA -0.176 4.174 4.350 -0.000 0.000 0.263 118 T C 1.538 176.082 174.700 -0.260 0.000 1.074 118 T CA 1.531 63.511 62.100 -0.199 0.000 1.176 118 T CB -0.628 68.126 68.868 -0.189 0.000 0.863 118 T HN 0.224 nan 8.240 nan 0.000 0.410 119 F N 2.176 121.975 119.950 -0.251 0.000 2.069 119 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 119 F C 2.091 177.868 175.800 -0.038 0.000 1.113 119 F CA 0.740 58.655 58.000 -0.142 0.000 1.214 119 F CB -0.940 38.013 39.000 -0.078 0.000 0.978 119 F HN 0.114 nan 8.300 nan 0.000 0.474 120 I N 0.174 120.543 120.570 -0.336 0.000 2.194 120 I HA -0.352 3.817 4.170 -0.000 0.000 0.246 120 I C 2.414 178.421 176.117 -0.183 0.000 1.093 120 I CA 1.902 62.990 61.300 -0.352 0.000 1.355 120 I CB -0.616 37.292 38.000 -0.154 0.000 1.046 120 I HN 0.118 nan 8.210 nan 0.000 0.413 121 K N 1.308 121.644 120.400 -0.107 0.000 2.097 121 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 121 K C 2.225 178.832 176.600 0.013 0.000 1.050 121 K CA 1.772 58.039 56.287 -0.033 0.000 0.938 121 K CB -0.342 32.151 32.500 -0.011 0.000 0.718 121 K HN 0.406 nan 8.250 nan 0.000 0.442 122 S N -0.775 114.940 115.700 0.025 0.000 2.423 122 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 122 S C 1.952 176.659 174.600 0.179 0.000 1.014 122 S CA 1.002 59.320 58.200 0.196 0.000 0.965 122 S CB -0.591 62.825 63.200 0.360 0.000 0.785 122 S HN 0.014 nan 8.310 nan 0.000 0.495 123 V N 3.505 123.430 119.914 0.018 0.000 2.214 123 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 123 V C -0.155 175.955 176.094 0.026 0.000 1.047 123 V CA 2.146 64.458 62.300 0.020 0.000 0.998 123 V CB -1.910 29.868 31.823 -0.075 0.000 0.633 123 V HN 0.351 nan 8.190 nan 0.000 0.446 124 P HA -0.176 nan 4.420 nan 0.000 0.217 124 P C -1.331 175.939 177.300 -0.051 0.000 1.158 124 P CA 2.413 65.393 63.100 -0.201 0.000 0.887 124 P CB -1.335 30.245 31.700 -0.200 0.000 0.792 125 P HA -0.208 nan 4.420 nan 0.000 0.212 125 P C 1.624 178.987 177.300 0.104 0.000 1.180 125 P CA 1.228 64.354 63.100 0.044 0.000 0.906 125 P CB -0.585 31.150 31.700 0.059 0.000 0.782 126 F N 0.907 120.883 119.950 0.044 0.000 2.082 126 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 126 F C 2.323 178.201 175.800 0.130 0.000 1.091 126 F CA 1.446 59.519 58.000 0.122 0.000 1.230 126 F CB -1.334 37.799 39.000 0.222 0.000 0.983 126 F HN -0.262 nan 8.300 nan 0.000 0.485 127 L N -0.472 121.020 121.223 0.448 0.000 1.948 127 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 127 L C 2.627 179.580 176.870 0.138 0.000 1.074 127 L CA 1.942 56.981 54.840 0.331 0.000 0.753 127 L CB -0.817 41.332 42.059 0.150 0.000 0.888 127 L HN -0.031 nan 8.230 nan 0.000 0.432 128 R N -0.603 119.915 120.500 0.030 0.000 2.293 128 R HA -0.111 4.229 4.340 -0.000 0.000 0.219 128 R C 2.091 178.334 176.300 -0.095 0.000 1.091 128 R CA 1.314 57.392 56.100 -0.037 0.000 1.004 128 R CB -0.111 30.158 30.300 -0.051 0.000 0.865 128 R HN 0.384 nan 8.270 nan 0.000 0.469 129 T N -0.872 113.599 114.554 -0.138 0.000 2.857 129 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 129 T C 1.055 175.499 174.700 -0.427 0.000 1.048 129 T CA 0.941 62.853 62.100 -0.314 0.000 1.139 129 T CB -0.080 68.496 68.868 -0.487 0.000 0.874 129 T HN 0.366 nan 8.240 nan 0.000 0.455 130 H N -0.413 118.557 119.070 -0.167 0.000 2.575 130 H HA 0.354 4.910 4.556 -0.000 0.000 0.267 130 H C 1.934 176.995 175.328 -0.444 0.000 0.966 130 H CA 0.654 56.531 56.048 -0.284 0.000 1.165 130 H CB 0.572 30.148 29.762 -0.311 0.000 1.433 130 H HN 0.543 nan 8.280 nan 0.000 0.544 131 G N 0.604 109.255 108.800 -0.247 0.000 2.179 131 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 131 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 131 G C -0.101 174.700 174.900 -0.166 0.000 0.990 131 G CA -0.363 44.604 45.100 -0.222 0.000 0.646 131 G HN 0.104 nan 8.290 nan 0.000 0.517 132 F N 1.630 121.586 119.950 0.010 0.000 2.450 132 F HA 0.426 4.953 4.527 -0.000 0.000 0.339 132 F C 1.325 177.127 175.800 0.003 0.000 1.146 132 F CA -0.466 57.532 58.000 -0.003 0.000 1.267 132 F CB 0.561 39.552 39.000 -0.016 0.000 1.178 132 F HN -0.074 nan 8.300 nan 0.000 0.585 133 D N 0.386 120.930 120.400 0.240 0.000 2.349 133 D HA 0.274 4.914 4.640 -0.000 0.000 0.214 133 D C 0.862 177.242 176.300 0.133 0.000 1.063 133 D CA 0.536 54.618 54.000 0.137 0.000 0.847 133 D CB 0.698 41.563 40.800 0.109 0.000 0.933 133 D HN 0.656 nan 8.370 nan 0.000 0.513 134 G N 0.161 109.055 108.800 0.156 0.000 2.320 134 G HA2 0.368 4.328 3.960 -0.000 0.000 0.296 134 G HA3 0.368 4.328 3.960 -0.000 0.000 0.296 134 G C -2.220 172.793 174.900 0.187 0.000 1.306 134 G CA -0.773 44.435 45.100 0.180 0.000 0.836 134 G HN 0.051 nan 8.290 nan 0.000 0.517 135 L N -0.150 121.247 121.223 0.291 0.000 2.333 135 L HA 0.891 5.231 4.340 -0.000 0.000 0.269 135 L C -1.320 175.614 176.870 0.107 0.000 1.010 135 L CA -0.619 54.354 54.840 0.222 0.000 0.818 135 L CB 2.346 44.632 42.059 0.378 0.000 1.306 135 L HN 0.669 nan 8.230 nan 0.000 0.430 136 D N 2.584 123.059 120.400 0.125 0.000 2.620 136 D HA 0.375 5.015 4.640 -0.000 0.000 0.252 136 D C -1.437 174.997 176.300 0.223 0.000 1.207 136 D CA -0.201 53.878 54.000 0.132 0.000 0.884 136 D CB 1.012 41.920 40.800 0.180 0.000 1.262 136 D HN 0.482 nan 8.370 nan 0.000 0.552 137 L N 2.978 124.321 121.223 0.201 0.000 2.281 137 L HA 0.633 4.973 4.340 -0.000 0.000 0.285 137 L C 0.264 177.270 176.870 0.227 0.000 1.074 137 L CA -0.637 54.358 54.840 0.258 0.000 0.817 137 L CB 1.479 43.718 42.059 0.300 0.000 1.168 137 L HN 0.616 nan 8.230 nan 0.000 0.434 138 A N 4.176 127.091 122.820 0.158 0.000 3.214 138 A HA 0.148 4.468 4.320 -0.000 0.000 0.304 138 A C -0.891 176.629 177.584 -0.106 0.000 0.969 138 A CA -0.465 51.620 52.037 0.079 0.000 0.986 138 A CB -0.028 19.070 19.000 0.165 0.000 1.073 138 A HN 0.717 nan 8.150 nan 0.000 0.487 139 W N 2.936 123.951 121.300 -0.476 0.000 2.507 139 W HA 0.501 5.161 4.660 -0.000 0.000 0.334 139 W C -1.325 174.926 176.519 -0.446 0.000 1.165 139 W CA -1.031 55.835 57.345 -0.799 0.000 1.460 139 W CB 0.087 28.838 29.460 -1.180 0.000 1.404 139 W HN 0.328 nan 8.180 nan 0.000 0.435 140 L N 8.929 130.120 121.223 -0.054 0.000 2.283 140 L HA 0.324 4.663 4.340 -0.000 0.000 0.281 140 L C -1.154 175.532 176.870 -0.306 0.000 1.033 140 L CA -0.736 53.776 54.840 -0.546 0.000 0.848 140 L CB -0.114 41.475 42.059 -0.783 0.000 1.226 140 L HN 0.203 nan 8.230 nan 0.000 0.429 141 Y N 2.043 122.329 120.300 -0.023 0.000 2.504 141 Y HA 0.385 4.935 4.550 -0.000 0.000 0.344 141 Y C -2.330 173.076 175.900 -0.824 0.000 1.023 141 Y CA -2.961 54.892 58.100 -0.412 0.000 1.020 141 Y CB 1.827 40.107 38.460 -0.300 0.000 1.282 141 Y HN 0.363 nan 8.280 nan 0.000 0.454 142 P HA -0.012 nan 4.420 nan 0.000 0.253 142 P C 0.471 177.347 177.300 -0.708 0.000 1.170 142 P CA 0.543 62.555 63.100 -1.813 0.000 0.806 142 P CB 0.164 30.721 31.700 -1.904 0.000 0.775 143 G N 3.459 112.093 108.800 -0.277 0.000 2.785 143 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.256 143 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.256 143 G C 1.111 175.894 174.900 -0.197 0.000 1.248 143 G CA -0.367 44.647 45.100 -0.144 0.000 0.914 143 G HN 0.483 nan 8.290 nan 0.000 0.580 144 R N -0.740 119.675 120.500 -0.142 0.000 2.148 144 R HA 0.029 4.369 4.340 -0.000 0.000 0.227 144 R C 2.032 178.260 176.300 -0.120 0.000 1.103 144 R CA 0.794 56.811 56.100 -0.138 0.000 0.983 144 R CB -0.097 30.142 30.300 -0.102 0.000 0.874 144 R HN 0.433 nan 8.270 nan 0.000 0.451 145 R N 0.229 120.673 120.500 -0.095 0.000 2.423 145 R HA 0.024 4.364 4.340 -0.000 0.000 0.248 145 R C -0.313 175.880 176.300 -0.178 0.000 1.019 145 R CA 0.289 56.321 56.100 -0.114 0.000 1.119 145 R CB 0.406 30.672 30.300 -0.056 0.000 1.176 145 R HN 0.293 nan 8.270 nan 0.000 0.526 146 D N -0.998 119.321 120.400 -0.134 0.000 2.530 146 D HA -0.013 4.627 4.640 -0.000 0.000 0.253 146 D C 0.997 177.288 176.300 -0.016 0.000 1.338 146 D CA -0.062 53.919 54.000 -0.031 0.000 0.806 146 D CB 0.685 41.642 40.800 0.260 0.000 1.160 146 D HN 0.052 nan 8.370 nan 0.000 0.514 147 K N 1.213 121.560 120.400 -0.089 0.000 2.009 147 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 147 K C 1.820 178.492 176.600 0.120 0.000 1.049 147 K CA 1.386 57.663 56.287 -0.016 0.000 0.929 147 K CB 0.294 32.758 32.500 -0.060 0.000 0.714 147 K HN 0.035 nan 8.250 nan 0.000 0.440 148 Q N -0.677 119.168 119.800 0.076 0.000 2.046 148 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 148 Q C 2.080 178.243 176.000 0.272 0.000 0.975 148 Q CA 1.695 57.582 55.803 0.140 0.000 0.836 148 Q CB -0.176 28.628 28.738 0.111 0.000 0.896 148 Q HN 0.596 nan 8.270 nan 0.000 0.428 149 H N -1.014 118.163 119.070 0.178 0.000 2.390 149 H HA -0.183 4.373 4.556 -0.000 0.000 0.298 149 H C 1.899 177.420 175.328 0.322 0.000 1.106 149 H CA 0.998 57.187 56.048 0.235 0.000 1.297 149 H CB -0.047 29.888 29.762 0.288 0.000 1.375 149 H HN 0.211 nan 8.280 nan 0.000 0.509 150 F N 1.756 121.892 119.950 0.309 0.000 2.171 150 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 150 F C 2.282 178.190 175.800 0.180 0.000 1.090 150 F CA 1.433 59.587 58.000 0.257 0.000 1.293 150 F CB -0.585 38.443 39.000 0.046 0.000 1.013 150 F HN -0.062 nan 8.300 nan 0.000 0.486 151 T N -0.559 114.036 114.554 0.068 0.000 2.720 151 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 151 T C 1.899 176.567 174.700 -0.053 0.000 1.037 151 T CA 2.083 64.159 62.100 -0.040 0.000 1.144 151 T CB -0.667 68.237 68.868 0.060 0.000 0.864 151 T HN 0.291 nan 8.240 nan 0.000 0.444 152 T N 2.516 117.083 114.554 0.021 0.000 2.737 152 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 152 T C 1.917 176.585 174.700 -0.053 0.000 1.038 152 T CA 0.949 63.044 62.100 -0.008 0.000 1.144 152 T CB -0.541 68.354 68.868 0.044 0.000 0.866 152 T HN 0.165 nan 8.240 nan 0.000 0.434 153 L N 1.273 122.504 121.223 0.012 0.000 2.043 153 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 153 L C 2.037 178.842 176.870 -0.108 0.000 1.075 153 L CA 1.599 56.455 54.840 0.026 0.000 0.752 153 L CB -0.798 41.388 42.059 0.213 0.000 0.891 153 L HN 0.164 nan 8.230 nan 0.000 0.432 154 I N -0.178 120.257 120.570 -0.225 0.000 2.179 154 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 154 I C 2.489 178.403 176.117 -0.339 0.000 1.088 154 I CA 1.530 62.655 61.300 -0.291 0.000 1.357 154 I CB -1.118 36.682 38.000 -0.334 0.000 1.051 154 I HN 0.455 nan 8.210 nan 0.000 0.409 155 K N 1.405 121.554 120.400 -0.418 0.000 1.969 155 K HA -0.210 4.110 4.320 -0.000 0.000 0.216 155 K C 1.952 178.297 176.600 -0.425 0.000 1.048 155 K CA 1.891 57.743 56.287 -0.725 0.000 0.948 155 K CB -0.129 32.051 32.500 -0.533 0.000 0.726 155 K HN 0.278 nan 8.250 nan 0.000 0.442 156 E N 0.157 120.205 120.200 -0.254 0.000 2.171 156 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 156 E C 1.975 178.474 176.600 -0.168 0.000 0.997 156 E CA 1.445 57.746 56.400 -0.165 0.000 0.810 156 E CB -0.186 29.454 29.700 -0.100 0.000 0.738 156 E HN 0.328 nan 8.360 nan 0.000 0.467 157 M N 1.324 120.785 119.600 -0.230 0.000 2.175 157 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 157 M C 1.994 178.014 176.300 -0.466 0.000 1.063 157 M CA 1.587 56.700 55.300 -0.312 0.000 1.119 157 M CB 0.055 32.429 32.600 -0.376 0.000 1.377 157 M HN -0.197 nan 8.290 nan 0.000 0.415 158 K N 0.242 120.391 120.400 -0.419 0.000 2.031 158 K HA 0.100 4.420 4.320 -0.000 0.000 0.205 158 K C 1.821 178.369 176.600 -0.087 0.000 1.049 158 K CA 1.710 57.806 56.287 -0.318 0.000 0.939 158 K CB -0.798 31.573 32.500 -0.214 0.000 0.717 158 K HN 0.338 nan 8.250 nan 0.000 0.438 159 A N 0.950 123.708 122.820 -0.103 0.000 1.869 159 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 159 A C 2.181 179.790 177.584 0.043 0.000 1.203 159 A CA 2.337 54.355 52.037 -0.031 0.000 0.638 159 A CB -1.073 17.890 19.000 -0.062 0.000 0.831 159 A HN 0.522 nan 8.150 nan 0.000 0.450 160 E N -0.777 119.460 120.200 0.062 0.000 2.070 160 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 160 E C 1.597 178.327 176.600 0.218 0.000 1.004 160 E CA 1.667 58.142 56.400 0.125 0.000 0.805 160 E CB -0.496 29.288 29.700 0.140 0.000 0.744 160 E HN 0.540 nan 8.360 nan 0.000 0.451 161 F N 0.198 120.121 119.950 -0.045 0.000 2.161 161 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 161 F C 2.139 177.931 175.800 -0.013 0.000 1.089 161 F CA 0.910 58.894 58.000 -0.026 0.000 1.282 161 F CB -0.527 38.456 39.000 -0.027 0.000 1.010 161 F HN 0.103 nan 8.300 nan 0.000 0.485 162 I N 0.400 121.078 120.570 0.180 0.000 2.163 162 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 162 I C 2.470 178.622 176.117 0.058 0.000 1.081 162 I CA 1.520 62.878 61.300 0.097 0.000 1.353 162 I CB -0.682 37.358 38.000 0.066 0.000 1.054 162 I HN 0.084 nan 8.210 nan 0.000 0.407 163 K N 0.946 121.376 120.400 0.049 0.000 1.991 163 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 163 K C 2.033 178.642 176.600 0.016 0.000 1.049 163 K CA 1.646 57.950 56.287 0.028 0.000 0.932 163 K CB -0.737 31.776 32.500 0.023 0.000 0.717 163 K HN 0.138 nan 8.250 nan 0.000 0.441 164 E N 1.362 121.568 120.200 0.010 0.000 2.279 164 E HA -0.219 4.131 4.350 -0.000 0.000 0.205 164 E C 1.290 177.878 176.600 -0.020 0.000 1.028 164 E CA 1.834 58.223 56.400 -0.018 0.000 0.830 164 E CB -0.096 29.569 29.700 -0.060 0.000 0.736 164 E HN 0.525 nan 8.360 nan 0.000 0.478 165 A N 0.466 123.283 122.820 -0.006 0.000 2.470 165 A HA 0.045 4.365 4.320 -0.000 0.000 0.251 165 A C 1.802 179.390 177.584 0.006 0.000 1.245 165 A CA 0.274 52.309 52.037 -0.003 0.000 0.932 165 A CB -0.118 18.883 19.000 0.001 0.000 1.037 165 A HN 0.350 nan 8.150 nan 0.000 0.522 166 Q N 0.438 120.243 119.800 0.009 0.000 2.197 166 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 166 Q C -0.776 175.228 176.000 0.006 0.000 0.984 166 Q CA 1.702 57.512 55.803 0.010 0.000 0.869 166 Q CB -1.962 26.783 28.738 0.011 0.000 0.906 166 Q HN 0.414 nan 8.270 nan 0.000 0.426 167 P HA -0.119 nan 4.420 nan 0.000 0.216 167 P C 0.534 177.834 177.300 0.001 0.000 1.157 167 P CA 2.285 65.385 63.100 0.000 0.000 0.880 167 P CB -0.298 31.400 31.700 -0.004 0.000 0.791 168 G N -1.483 107.318 108.800 0.001 0.000 3.181 168 G HA2 0.049 4.009 3.960 -0.000 0.000 0.230 168 G HA3 0.049 4.009 3.960 -0.000 0.000 0.230 168 G C -0.542 174.358 174.900 0.001 0.000 2.154 168 G CA -0.486 44.616 45.100 0.003 0.000 1.020 168 G HN 0.497 nan 8.290 nan 0.000 0.494 169 K N -0.238 120.162 120.400 0.001 0.000 2.385 169 K HA 0.793 5.113 4.320 -0.000 0.000 0.248 169 K C -0.494 176.109 176.600 0.004 0.000 0.955 169 K CA -1.209 55.077 56.287 -0.002 0.000 0.816 169 K CB 1.911 34.405 32.500 -0.010 0.000 1.250 169 K HN -0.117 nan 8.250 nan 0.000 0.434 170 K N 2.424 122.827 120.400 0.006 0.000 2.466 170 K HA -0.062 4.258 4.320 -0.000 0.000 0.278 170 K C -0.074 176.536 176.600 0.016 0.000 1.048 170 K CA 0.434 56.730 56.287 0.016 0.000 1.088 170 K CB 0.277 32.787 32.500 0.016 0.000 0.884 170 K HN 0.516 nan 8.250 nan 0.000 0.478 171 Q N 2.493 122.312 119.800 0.033 0.000 2.417 171 Q HA 0.137 4.477 4.340 -0.000 0.000 0.241 171 Q C -0.539 175.494 176.000 0.055 0.000 1.008 171 Q CA -0.375 55.454 55.803 0.043 0.000 0.901 171 Q CB 0.588 29.370 28.738 0.073 0.000 1.259 171 Q HN 0.474 nan 8.270 nan 0.000 0.489 172 L N 3.815 125.058 121.223 0.033 0.000 2.331 172 L HA 0.215 4.555 4.340 -0.000 0.000 0.278 172 L C -0.204 176.844 176.870 0.298 0.000 1.106 172 L CA -0.305 54.557 54.840 0.038 0.000 0.824 172 L CB 0.443 42.258 42.059 -0.406 0.000 1.142 172 L HN 0.544 nan 8.230 nan 0.000 0.443 173 L N 4.188 125.555 121.223 0.240 0.000 2.397 173 L HA 0.291 4.631 4.340 -0.000 0.000 0.271 173 L C -0.361 176.620 176.870 0.184 0.000 1.148 173 L CA -0.327 54.632 54.840 0.199 0.000 0.825 173 L CB 1.108 43.267 42.059 0.167 0.000 1.117 173 L HN 0.406 nan 8.230 nan 0.000 0.456 174 L N 3.171 124.388 121.223 -0.011 0.000 2.349 174 L HA 0.534 4.874 4.340 -0.000 0.000 0.278 174 L C -0.194 176.481 176.870 -0.325 0.000 0.996 174 L CA 0.219 54.958 54.840 -0.169 0.000 0.825 174 L CB 1.774 43.620 42.059 -0.354 0.000 1.243 174 L HN 0.737 nan 8.230 nan 0.000 0.412 175 S N 3.392 118.866 115.700 -0.376 0.000 2.667 175 S HA 1.024 5.494 4.470 -0.000 0.000 0.292 175 S C -0.888 173.604 174.600 -0.181 0.000 1.126 175 S CA -0.327 57.546 58.200 -0.544 0.000 0.881 175 S CB 1.969 64.419 63.200 -1.250 0.000 1.132 175 S HN 1.045 nan 8.310 nan 0.000 0.492 176 A N 0.314 123.090 122.820 -0.072 0.000 2.455 176 A HA 0.873 5.192 4.320 -0.000 0.000 0.300 176 A C -0.430 177.244 177.584 0.149 0.000 1.040 176 A CA -0.526 51.565 52.037 0.090 0.000 0.697 176 A CB 1.273 20.340 19.000 0.112 0.000 1.265 176 A HN 1.763 nan 8.150 nan 0.000 0.407 177 A N 2.482 125.423 122.820 0.202 0.000 2.269 177 A HA 0.678 4.998 4.320 -0.000 0.000 0.302 177 A C -0.489 177.156 177.584 0.102 0.000 1.266 177 A CA -0.170 51.988 52.037 0.202 0.000 0.894 177 A CB -0.241 18.906 19.000 0.245 0.000 1.147 177 A HN 0.823 nan 8.150 nan 0.000 0.537 178 L N 2.083 123.320 121.223 0.024 0.000 2.346 178 L HA 0.487 4.827 4.340 -0.000 0.000 0.274 178 L C 0.843 177.724 176.870 0.019 0.000 1.007 178 L CA -0.764 54.032 54.840 -0.072 0.000 0.818 178 L CB 1.911 43.713 42.059 -0.429 0.000 1.284 178 L HN 0.698 nan 8.230 nan 0.000 0.424 179 S N 1.048 116.822 115.700 0.124 0.000 2.559 179 S HA 0.185 4.655 4.470 -0.000 0.000 0.282 179 S C 0.865 175.432 174.600 -0.055 0.000 1.336 179 S CA 0.379 58.535 58.200 -0.075 0.000 1.037 179 S CB 0.995 63.870 63.200 -0.542 0.000 0.853 179 S HN 0.755 nan 8.310 nan 0.000 0.523 180 A N 3.561 126.299 122.820 -0.137 0.000 2.390 180 A HA 0.478 4.798 4.320 -0.000 0.000 0.232 180 A C 0.949 178.609 177.584 0.126 0.000 1.233 180 A CA 0.252 52.281 52.037 -0.014 0.000 0.907 180 A CB -0.397 18.520 19.000 -0.138 0.000 0.967 180 A HN 0.957 nan 8.150 nan 0.000 0.512 181 G N -0.378 108.424 108.800 0.004 0.000 2.403 181 G HA2 0.329 4.289 3.960 -0.000 0.000 0.259 181 G HA3 0.329 4.289 3.960 -0.000 0.000 0.259 181 G C 0.662 175.566 174.900 0.006 0.000 1.244 181 G CA -0.222 44.907 45.100 0.048 0.000 0.849 181 G HN 0.293 nan 8.290 nan 0.000 0.532 182 K N 1.835 122.202 120.400 -0.056 0.000 2.057 182 K HA -0.087 4.232 4.320 -0.000 0.000 0.206 182 K C 2.384 178.887 176.600 -0.161 0.000 1.050 182 K CA 0.969 57.130 56.287 -0.210 0.000 0.935 182 K CB -0.120 31.936 32.500 -0.740 0.000 0.715 182 K HN 0.346 nan 8.250 nan 0.000 0.439 183 V N 1.027 120.840 119.914 -0.168 0.000 2.223 183 V HA -0.265 3.855 4.120 -0.000 0.000 0.244 183 V C 2.221 178.216 176.094 -0.165 0.000 1.045 183 V CA 2.378 64.595 62.300 -0.139 0.000 1.000 183 V CB -0.644 31.119 31.823 -0.099 0.000 0.635 183 V HN 0.478 nan 8.190 nan 0.000 0.445 184 T N 0.214 114.638 114.554 -0.216 0.000 2.699 184 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 184 T C 1.764 176.212 174.700 -0.420 0.000 1.036 184 T CA 2.056 63.936 62.100 -0.367 0.000 1.147 184 T CB -0.363 68.159 68.868 -0.576 0.000 0.862 184 T HN 0.330 nan 8.240 nan 0.000 0.446 185 I N 0.934 121.379 120.570 -0.209 0.000 2.163 185 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 185 I C 2.401 178.460 176.117 -0.097 0.000 1.085 185 I CA 1.260 62.535 61.300 -0.042 0.000 1.347 185 I CB -0.365 37.777 38.000 0.236 0.000 1.044 185 I HN 0.166 nan 8.210 nan 0.000 0.408 186 D N 0.791 121.165 120.400 -0.043 0.000 2.095 186 D HA -0.160 4.480 4.640 -0.000 0.000 0.192 186 D C 1.920 178.142 176.300 -0.130 0.000 0.990 186 D CA 1.982 55.957 54.000 -0.042 0.000 0.836 186 D CB -0.478 40.309 40.800 -0.021 0.000 0.979 186 D HN 0.299 nan 8.370 nan 0.000 0.447 187 S N -0.855 114.742 115.700 -0.172 0.000 2.967 187 S HA 0.217 4.687 4.470 -0.000 0.000 0.254 187 S C 0.816 175.229 174.600 -0.311 0.000 1.089 187 S CA -0.056 58.027 58.200 -0.194 0.000 1.183 187 S CB 0.109 63.215 63.200 -0.156 0.000 0.848 187 S HN 0.019 nan 8.310 nan 0.000 0.477 188 S N -1.152 114.288 115.700 -0.434 0.000 2.490 188 S HA 0.297 4.767 4.470 -0.000 0.000 0.280 188 S C -0.780 173.439 174.600 -0.635 0.000 1.048 188 S CA -0.336 57.443 58.200 -0.702 0.000 1.263 188 S CB 0.221 62.729 63.200 -1.152 0.000 1.053 188 S HN 0.594 nan 8.310 nan 0.000 0.538 189 Y N 1.560 121.806 120.300 -0.091 0.000 2.570 189 Y HA 0.689 5.239 4.550 -0.000 0.000 0.345 189 Y C -0.628 175.277 175.900 0.009 0.000 1.014 189 Y CA -2.015 56.094 58.100 0.015 0.000 1.063 189 Y CB 0.706 39.182 38.460 0.027 0.000 1.272 189 Y HN -0.042 nan 8.280 nan 0.000 0.477 190 D N 1.087 121.621 120.400 0.225 0.000 2.441 190 D HA 0.301 4.941 4.640 -0.000 0.000 0.287 190 D C 0.626 176.968 176.300 0.070 0.000 1.198 190 D CA -0.127 53.932 54.000 0.098 0.000 0.894 190 D CB 0.170 41.014 40.800 0.073 0.000 1.070 190 D HN 0.385 nan 8.370 nan 0.000 0.499 191 I N 1.618 122.220 120.570 0.053 0.000 2.113 191 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 191 I C 2.442 178.535 176.117 -0.041 0.000 1.064 191 I CA 1.432 62.726 61.300 -0.010 0.000 1.320 191 I CB -1.614 36.358 38.000 -0.046 0.000 1.028 191 I HN 0.431 nan 8.210 nan 0.000 0.406 192 A N 0.639 123.433 122.820 -0.044 0.000 1.929 192 A HA -0.330 3.990 4.320 -0.000 0.000 0.221 192 A C 2.512 180.057 177.584 -0.065 0.000 1.211 192 A CA 2.877 54.881 52.037 -0.054 0.000 0.657 192 A CB -0.692 18.282 19.000 -0.044 0.000 0.827 192 A HN 0.528 nan 8.150 nan 0.000 0.462 193 K N -0.404 119.964 120.400 -0.053 0.000 2.168 193 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 193 K C 1.977 178.493 176.600 -0.140 0.000 1.049 193 K CA 0.821 57.059 56.287 -0.081 0.000 0.974 193 K CB -0.277 32.211 32.500 -0.021 0.000 0.792 193 K HN 0.615 nan 8.250 nan 0.000 0.463 194 I N -0.864 119.660 120.570 -0.076 0.000 2.423 194 I HA -0.165 4.005 4.170 -0.000 0.000 0.254 194 I C 1.486 177.517 176.117 -0.144 0.000 1.151 194 I CA 1.256 62.504 61.300 -0.086 0.000 1.421 194 I CB -0.380 37.568 38.000 -0.088 0.000 1.079 194 I HN -0.057 nan 8.210 nan 0.000 0.431 195 S N 0.948 116.568 115.700 -0.134 0.000 2.442 195 S HA -0.175 4.295 4.470 -0.000 0.000 0.236 195 S C 1.876 176.377 174.600 -0.164 0.000 1.007 195 S CA 1.380 59.509 58.200 -0.119 0.000 0.965 195 S CB -0.315 62.833 63.200 -0.087 0.000 0.773 195 S HN 0.622 nan 8.310 nan 0.000 0.504 196 Q N 0.249 119.873 119.800 -0.292 0.000 2.050 196 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 196 Q C 1.958 177.750 176.000 -0.345 0.000 0.980 196 Q CA 1.403 56.983 55.803 -0.372 0.000 0.840 196 Q CB -0.192 28.201 28.738 -0.574 0.000 0.898 196 Q HN 0.662 nan 8.270 nan 0.000 0.424 197 H N 0.105 119.125 119.070 -0.083 0.000 2.355 197 H HA 0.091 4.647 4.556 -0.000 0.000 0.303 197 H C 0.618 175.873 175.328 -0.122 0.000 1.061 197 H CA 0.300 56.285 56.048 -0.106 0.000 1.368 197 H CB -0.397 29.281 29.762 -0.141 0.000 1.412 197 H HN 0.144 nan 8.280 nan 0.000 0.523 198 L N 3.085 124.285 121.223 -0.039 0.000 2.559 198 L HA -0.082 4.258 4.340 -0.000 0.000 0.274 198 L C 1.230 178.053 176.870 -0.078 0.000 1.205 198 L CA -0.186 54.594 54.840 -0.099 0.000 0.907 198 L CB 0.500 42.495 42.059 -0.107 0.000 1.153 198 L HN 0.096 nan 8.230 nan 0.000 0.490 199 D N 2.808 123.143 120.400 -0.109 0.000 2.218 199 D HA -0.067 4.573 4.640 -0.000 0.000 0.204 199 D C -0.041 176.318 176.300 0.099 0.000 0.976 199 D CA 1.429 55.419 54.000 -0.017 0.000 0.853 199 D CB 0.100 40.897 40.800 -0.006 0.000 0.939 199 D HN 0.377 nan 8.370 nan 0.000 0.481 200 F N -1.469 118.472 119.950 -0.015 0.000 2.708 200 F HA 0.443 4.970 4.527 -0.000 0.000 0.309 200 F C -1.884 173.911 175.800 -0.009 0.000 1.120 200 F CA -1.477 56.510 58.000 -0.023 0.000 0.978 200 F CB 0.474 39.445 39.000 -0.048 0.000 1.283 200 F HN -0.344 nan 8.300 nan 0.000 0.439 201 I N 2.543 123.330 120.570 0.361 0.000 2.404 201 I HA 0.466 4.636 4.170 -0.000 0.000 0.293 201 I C -0.442 175.852 176.117 0.296 0.000 0.992 201 I CA -0.824 60.620 61.300 0.240 0.000 1.149 201 I CB 2.149 40.194 38.000 0.076 0.000 1.315 201 I HN 0.666 nan 8.210 nan 0.000 0.446 202 S N 6.918 122.798 115.700 0.301 0.000 2.448 202 S HA 0.445 4.915 4.470 -0.000 0.000 0.320 202 S C -0.295 174.395 174.600 0.150 0.000 1.071 202 S CA -0.434 57.922 58.200 0.259 0.000 1.113 202 S CB 0.858 64.299 63.200 0.401 0.000 0.972 202 S HN 0.459 nan 8.310 nan 0.000 0.465 203 I N 4.413 125.038 120.570 0.091 0.000 2.325 203 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 203 I C 0.127 176.215 176.117 -0.048 0.000 1.019 203 I CA -0.773 60.539 61.300 0.020 0.000 1.302 203 I CB 0.572 38.591 38.000 0.032 0.000 1.401 203 I HN 0.617 nan 8.210 nan 0.000 0.485 204 M N 7.355 126.841 119.600 -0.189 0.000 3.442 204 M HA 0.096 4.576 4.480 -0.000 0.000 0.232 204 M C 0.474 176.279 176.300 -0.825 0.000 1.508 204 M CA -0.066 54.872 55.300 -0.604 0.000 1.647 204 M CB -1.178 31.051 32.600 -0.618 0.000 1.126 204 M HN 0.569 nan 8.290 nan 0.000 0.557 205 T N 0.064 114.343 114.554 -0.458 0.000 4.508 205 T HA 0.291 4.641 4.350 -0.000 0.000 0.232 205 T C -0.474 174.095 174.700 -0.219 0.000 1.027 205 T CA -0.232 61.718 62.100 -0.250 0.000 0.999 205 T CB -1.241 67.673 68.868 0.076 0.000 1.402 205 T HN 0.587 nan 8.240 nan 0.000 1.003 206 Y N -2.982 117.069 120.300 -0.415 0.000 2.853 206 Y HA 0.547 5.097 4.550 -0.000 0.000 0.326 206 Y C -0.422 175.318 175.900 -0.267 0.000 1.384 206 Y CA -1.902 56.046 58.100 -0.254 0.000 1.077 206 Y CB 0.023 38.452 38.460 -0.052 0.000 1.395 206 Y HN 0.099 nan 8.280 nan 0.000 0.451 207 D N -0.131 120.589 120.400 0.533 0.000 2.772 207 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 207 D C 0.159 176.534 176.300 0.125 0.000 1.143 207 D CA 1.088 55.291 54.000 0.339 0.000 0.700 207 D CB -1.103 39.810 40.800 0.189 0.000 1.076 207 D HN 0.549 nan 8.370 nan 0.000 0.430 208 F N -0.401 119.694 119.950 0.242 0.000 2.219 208 F HA 0.027 4.554 4.527 -0.000 0.000 0.294 208 F C 1.691 177.604 175.800 0.189 0.000 1.086 208 F CA 0.617 58.718 58.000 0.169 0.000 1.330 208 F CB -0.039 39.041 39.000 0.133 0.000 1.047 208 F HN 0.067 nan 8.300 nan 0.000 0.495 209 H N 0.170 119.431 119.070 0.319 0.000 2.818 209 H HA 0.438 4.994 4.556 -0.000 0.000 0.269 209 H C 0.434 175.785 175.328 0.039 0.000 1.277 209 H CA -0.687 55.457 56.048 0.161 0.000 1.290 209 H CB -0.135 29.719 29.762 0.154 0.000 1.479 209 H HN 0.153 nan 8.280 nan 0.000 0.507 210 G N 2.206 110.892 108.800 -0.189 0.000 2.442 210 G HA2 0.275 4.235 3.960 -0.000 0.000 0.249 210 G HA3 0.275 4.235 3.960 -0.000 0.000 0.249 210 G C 0.809 175.045 174.900 -1.106 0.000 1.263 210 G CA -0.101 44.570 45.100 -0.715 0.000 0.846 210 G HN 0.818 nan 8.290 nan 0.000 0.555 211 A N 1.480 123.613 122.820 -1.146 0.000 2.207 211 A HA 0.053 4.373 4.320 -0.000 0.000 0.205 211 A C 0.510 177.815 177.584 -0.466 0.000 1.310 211 A CA 0.347 52.057 52.037 -0.544 0.000 0.926 211 A CB -0.799 18.073 19.000 -0.214 0.000 0.778 211 A HN 0.830 nan 8.150 nan 0.000 0.497 212 W N -2.018 119.262 121.300 -0.033 0.000 1.931 212 W HA 0.608 5.268 4.660 -0.000 0.000 0.346 212 W C 0.578 177.036 176.519 -0.101 0.000 0.775 212 W CA -0.797 56.517 57.345 -0.052 0.000 2.738 212 W CB 0.097 29.543 29.460 -0.023 0.000 1.908 212 W HN 0.108 nan 8.180 nan 0.000 0.665 213 R N 0.758 121.220 120.500 -0.064 0.000 2.539 213 R HA 0.204 4.544 4.340 -0.000 0.000 0.342 213 R C 1.384 177.622 176.300 -0.103 0.000 0.941 213 R CA 0.637 56.689 56.100 -0.081 0.000 1.146 213 R CB 0.370 30.569 30.300 -0.168 0.000 1.541 213 R HN 0.441 nan 8.270 nan 0.000 0.525 214 G N 1.684 110.409 108.800 -0.125 0.000 2.153 214 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 214 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 214 G C 0.014 174.791 174.900 -0.206 0.000 0.994 214 G CA 1.038 46.057 45.100 -0.134 0.000 0.698 214 G HN 0.572 nan 8.290 nan 0.000 0.521 215 T N -2.785 111.599 114.554 -0.285 0.000 2.864 215 T HA 0.737 5.087 4.350 -0.000 0.000 0.299 215 T C 0.093 174.398 174.700 -0.658 0.000 1.166 215 T CA 0.410 62.286 62.100 -0.373 0.000 1.007 215 T CB 1.808 70.528 68.868 -0.247 0.000 1.219 215 T HN 1.341 nan 8.240 nan 0.000 0.506 216 T N -0.871 113.136 114.554 -0.912 0.000 2.918 216 T HA 0.637 4.987 4.350 -0.000 0.000 0.302 216 T C 0.496 174.479 174.700 -1.194 0.000 1.045 216 T CA -0.172 61.036 62.100 -1.487 0.000 1.114 216 T CB 0.497 68.088 68.868 -2.128 0.000 0.965 216 T HN 1.446 nan 8.240 nan 0.000 0.540 217 G N 0.895 108.979 108.800 -1.193 0.000 2.755 217 G HA2 0.384 4.344 3.960 -0.000 0.000 0.297 217 G HA3 0.384 4.344 3.960 -0.000 0.000 0.297 217 G C -1.472 173.340 174.900 -0.148 0.000 1.441 217 G CA -0.826 43.653 45.100 -1.035 0.000 0.964 217 G HN 0.987 nan 8.290 nan 0.000 0.540 218 H N 0.576 119.695 119.070 0.082 0.000 2.683 218 H HA 0.133 4.689 4.556 -0.000 0.000 0.339 218 H C 1.365 176.858 175.328 0.274 0.000 1.081 218 H CA 0.497 56.727 56.048 0.303 0.000 1.432 218 H CB 1.187 31.077 29.762 0.213 0.000 1.462 218 H HN 0.837 nan 8.280 nan 0.000 0.557 219 H N 1.289 120.450 119.070 0.151 0.000 2.551 219 H HA 0.141 4.697 4.556 -0.000 0.000 0.266 219 H C 0.255 175.865 175.328 0.471 0.000 0.977 219 H CA 0.375 56.606 56.048 0.304 0.000 1.163 219 H CB 0.589 30.445 29.762 0.156 0.000 1.381 219 H HN 0.245 nan 8.280 nan 0.000 0.581 220 S N 1.881 117.642 115.700 0.102 0.000 2.472 220 S HA 0.243 4.713 4.470 -0.000 0.000 0.191 220 S C -2.849 171.778 174.600 0.045 0.000 1.244 220 S CA -1.260 56.976 58.200 0.061 0.000 1.227 220 S CB 0.147 63.143 63.200 -0.341 0.000 1.381 220 S HN 0.276 nan 8.310 nan 0.000 0.394 221 P HA 0.140 nan 4.420 nan 0.000 0.274 221 P C 0.828 177.961 177.300 -0.278 0.000 1.231 221 P CA -0.529 62.431 63.100 -0.234 0.000 0.790 221 P CB 1.087 32.693 31.700 -0.156 0.000 0.951 222 L N 2.270 123.275 121.223 -0.364 0.000 2.095 222 L HA 0.204 4.544 4.340 -0.000 0.000 0.204 222 L C 0.444 176.756 176.870 -0.930 0.000 1.080 222 L CA 1.763 56.205 54.840 -0.663 0.000 0.759 222 L CB -0.578 41.059 42.059 -0.703 0.000 0.914 222 L HN 0.245 nan 8.230 nan 0.000 0.439 223 F N -2.102 117.740 119.950 -0.181 0.000 2.679 223 F HA 0.428 4.955 4.527 -0.000 0.000 0.341 223 F C 1.570 177.294 175.800 -0.126 0.000 1.095 223 F CA -0.745 57.180 58.000 -0.125 0.000 1.004 223 F CB 0.680 39.634 39.000 -0.077 0.000 1.388 223 F HN -0.342 nan 8.300 nan 0.000 0.505 224 R N 0.623 121.190 120.500 0.111 0.000 2.115 224 R HA 0.242 4.582 4.340 -0.000 0.000 0.226 224 R C 0.910 177.212 176.300 0.004 0.000 1.100 224 R CA 1.144 57.242 56.100 -0.003 0.000 0.980 224 R CB -0.463 29.820 30.300 -0.028 0.000 0.875 224 R HN 0.994 nan 8.270 nan 0.000 0.445 225 G N 0.694 109.520 108.800 0.043 0.000 2.569 225 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.259 225 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.259 225 G C -0.852 174.042 174.900 -0.010 0.000 1.263 225 G CA 0.192 45.301 45.100 0.016 0.000 0.928 225 G HN 0.573 nan 8.290 nan 0.000 0.572 226 Q N 0.503 120.296 119.800 -0.011 0.000 2.478 226 Q HA 0.112 4.452 4.340 -0.000 0.000 0.323 226 Q C 1.690 177.669 176.000 -0.034 0.000 1.087 226 Q CA 1.342 57.133 55.803 -0.020 0.000 1.056 226 Q CB 0.323 29.052 28.738 -0.014 0.000 1.018 226 Q HN 0.756 nan 8.270 nan 0.000 0.387 227 E N 3.379 123.555 120.200 -0.039 0.000 2.070 227 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 227 E C 0.547 177.111 176.600 -0.059 0.000 1.004 227 E CA 2.194 58.563 56.400 -0.052 0.000 0.805 227 E CB 0.091 29.762 29.700 -0.048 0.000 0.744 227 E HN 0.856 nan 8.360 nan 0.000 0.451 228 D N -0.789 119.582 120.400 -0.049 0.000 2.325 228 D HA 0.129 4.769 4.640 -0.000 0.000 0.225 228 D C 0.982 177.252 176.300 -0.050 0.000 1.096 228 D CA 0.581 54.550 54.000 -0.051 0.000 0.844 228 D CB 0.542 41.316 40.800 -0.042 0.000 0.925 228 D HN 0.282 nan 8.370 nan 0.000 0.513 229 A N -0.573 122.217 122.820 -0.050 0.000 2.252 229 A HA 0.342 4.662 4.320 -0.000 0.000 0.213 229 A C 0.867 178.416 177.584 -0.058 0.000 1.188 229 A CA -0.235 51.771 52.037 -0.052 0.000 0.863 229 A CB 0.340 19.314 19.000 -0.043 0.000 0.893 229 A HN 0.138 nan 8.150 nan 0.000 0.495 230 S N -0.101 115.564 115.700 -0.059 0.000 2.568 230 S HA 0.510 4.980 4.470 -0.000 0.000 0.302 230 S C -1.930 172.630 174.600 -0.067 0.000 1.082 230 S CA -0.968 57.200 58.200 -0.053 0.000 1.009 230 S CB 1.730 64.888 63.200 -0.070 0.000 1.069 230 S HN 0.124 nan 8.310 nan 0.000 0.500 231 P HA -0.013 nan 4.420 nan 0.000 0.205 231 P C -0.192 177.025 177.300 -0.139 0.000 1.203 231 P CA 1.059 64.115 63.100 -0.074 0.000 0.926 231 P CB -0.176 31.495 31.700 -0.048 0.000 0.767 232 D N -2.147 118.143 120.400 -0.183 0.000 2.440 232 D HA 0.213 4.853 4.640 -0.000 0.000 0.258 232 D C 0.677 176.717 176.300 -0.433 0.000 1.092 232 D CA -0.886 52.897 54.000 -0.361 0.000 1.016 232 D CB 0.566 41.130 40.800 -0.393 0.000 1.141 232 D HN 0.059 nan 8.370 nan 0.000 0.552 233 R N -0.660 119.412 120.500 -0.714 0.000 2.359 233 R HA 0.257 4.596 4.340 -0.000 0.000 0.231 233 R C 0.380 176.273 176.300 -0.677 0.000 0.913 233 R CA -0.123 55.637 56.100 -0.566 0.000 1.075 233 R CB -0.495 29.528 30.300 -0.462 0.000 1.087 233 R HN 0.417 nan 8.270 nan 0.000 0.515 234 F N 0.497 120.076 119.950 -0.618 0.000 2.387 234 F HA 0.183 4.710 4.527 -0.000 0.000 0.294 234 F C 0.974 176.491 175.800 -0.472 0.000 1.093 234 F CA -0.382 57.087 58.000 -0.886 0.000 1.420 234 F CB 0.388 38.967 39.000 -0.702 0.000 1.086 234 F HN -0.062 nan 8.300 nan 0.000 0.531 235 S N 1.734 117.292 115.700 -0.237 0.000 3.870 235 S HA 0.065 4.535 4.470 -0.000 0.000 0.198 235 S C -0.615 173.303 174.600 -1.137 0.000 1.336 235 S CA -0.164 57.749 58.200 -0.477 0.000 1.049 235 S CB -1.687 61.444 63.200 -0.115 0.000 1.412 235 S HN 0.515 nan 8.310 nan 0.000 0.448 236 N N -2.626 115.315 118.700 -1.266 0.000 2.598 236 N HA 0.260 5.000 4.740 -0.000 0.000 0.263 236 N C 0.405 175.615 175.510 -0.500 0.000 1.254 236 N CA -0.860 51.608 53.050 -0.970 0.000 0.863 236 N CB 0.190 38.434 38.487 -0.404 0.000 1.586 236 N HN -0.188 nan 8.380 nan 0.000 0.491 237 T N -0.445 113.963 114.554 -0.243 0.000 2.624 237 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 237 T C 1.028 175.641 174.700 -0.144 0.000 1.041 237 T CA 2.273 64.327 62.100 -0.076 0.000 1.159 237 T CB -0.686 68.043 68.868 -0.232 0.000 0.863 237 T HN 0.832 nan 8.240 nan 0.000 0.434 238 D N -0.313 119.885 120.400 -0.336 0.000 2.104 238 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 238 D C 1.934 178.293 176.300 0.098 0.000 0.994 238 D CA 1.186 55.102 54.000 -0.141 0.000 0.830 238 D CB -0.372 40.349 40.800 -0.131 0.000 0.959 238 D HN 0.494 nan 8.370 nan 0.000 0.452 239 Y N 0.764 121.073 120.300 0.016 0.000 2.097 239 Y HA -0.204 4.346 4.550 -0.000 0.000 0.282 239 Y C 2.346 178.315 175.900 0.116 0.000 1.152 239 Y CA 2.316 60.460 58.100 0.074 0.000 1.136 239 Y CB -0.830 37.654 38.460 0.039 0.000 0.975 239 Y HN 0.083 nan 8.280 nan 0.000 0.498 240 A N -0.637 122.345 122.820 0.269 0.000 1.917 240 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 240 A C 2.372 180.054 177.584 0.163 0.000 1.182 240 A CA 2.248 54.442 52.037 0.263 0.000 0.633 240 A CB -1.432 17.773 19.000 0.342 0.000 0.819 240 A HN 0.379 nan 8.150 nan 0.000 0.448 241 V N -0.218 119.778 119.914 0.137 0.000 2.261 241 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 241 V C 2.856 179.003 176.094 0.090 0.000 1.047 241 V CA 2.087 64.468 62.300 0.134 0.000 1.015 241 V CB -1.482 30.476 31.823 0.224 0.000 0.642 241 V HN 0.629 nan 8.190 nan 0.000 0.446 242 G N -1.647 107.192 108.800 0.065 0.000 2.476 242 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 242 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 242 G C 1.546 176.443 174.900 -0.005 0.000 1.164 242 G CA 1.351 46.458 45.100 0.012 0.000 0.768 242 G HN 0.498 nan 8.290 nan 0.000 0.560 243 Y N 0.569 120.724 120.300 -0.243 0.000 2.070 243 Y HA -0.141 4.409 4.550 -0.000 0.000 0.280 243 Y C 2.963 178.810 175.900 -0.088 0.000 1.148 243 Y CA 2.180 60.148 58.100 -0.218 0.000 1.125 243 Y CB -0.448 37.847 38.460 -0.275 0.000 0.975 243 Y HN 0.213 nan 8.280 nan 0.000 0.492 244 M N -0.790 118.829 119.600 0.033 0.000 2.144 244 M HA -0.260 4.220 4.480 -0.000 0.000 0.260 244 M C 2.000 178.252 176.300 -0.081 0.000 1.067 244 M CA 1.724 56.996 55.300 -0.047 0.000 1.095 244 M CB -0.312 32.301 32.600 0.021 0.000 1.365 244 M HN 0.376 nan 8.290 nan 0.000 0.406 245 L N -1.094 120.102 121.223 -0.045 0.000 2.056 245 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 245 L C 2.637 179.463 176.870 -0.073 0.000 1.078 245 L CA 1.254 56.068 54.840 -0.044 0.000 0.749 245 L CB -0.637 41.411 42.059 -0.018 0.000 0.901 245 L HN 0.307 nan 8.230 nan 0.000 0.433 246 R N 0.683 121.127 120.500 -0.094 0.000 2.096 246 R HA -0.162 4.177 4.340 -0.000 0.000 0.240 246 R C 0.417 176.636 176.300 -0.135 0.000 1.139 246 R CA 1.196 57.235 56.100 -0.103 0.000 0.952 246 R CB -0.282 29.955 30.300 -0.105 0.000 0.854 246 R HN 0.217 nan 8.270 nan 0.000 0.436 247 L N -0.899 120.199 121.223 -0.209 0.000 2.449 247 L HA 0.447 4.787 4.340 -0.000 0.000 0.255 247 L C 0.847 177.642 176.870 -0.124 0.000 1.167 247 L CA 0.421 55.150 54.840 -0.185 0.000 1.090 247 L CB 0.706 42.601 42.059 -0.273 0.000 1.385 247 L HN 0.321 nan 8.230 nan 0.000 0.411 248 G N 0.880 109.627 108.800 -0.090 0.000 2.412 248 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.252 248 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.252 248 G C 0.649 175.512 174.900 -0.062 0.000 1.038 248 G CA 0.225 45.282 45.100 -0.071 0.000 0.628 248 G HN 1.107 nan 8.290 nan 0.000 0.531 249 A N 1.502 124.284 122.820 -0.064 0.000 2.546 249 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 249 A C -2.004 175.561 177.584 -0.031 0.000 1.063 249 A CA 0.276 52.287 52.037 -0.044 0.000 0.757 249 A CB 0.193 19.171 19.000 -0.037 0.000 0.991 249 A HN 0.281 nan 8.150 nan 0.000 0.503 250 P HA 0.419 nan 4.420 nan 0.000 0.303 250 P C 0.649 177.950 177.300 0.002 0.000 1.370 250 P CA -0.051 63.041 63.100 -0.014 0.000 0.854 250 P CB 1.620 33.309 31.700 -0.017 0.000 0.946 251 A N 3.374 126.196 122.820 0.003 0.000 1.985 251 A HA -0.269 4.051 4.320 -0.000 0.000 0.223 251 A C 1.939 179.539 177.584 0.027 0.000 1.189 251 A CA 2.709 54.756 52.037 0.017 0.000 0.658 251 A CB -1.691 17.316 19.000 0.012 0.000 0.820 251 A HN 0.556 nan 8.150 nan 0.000 0.464 252 S N -0.998 114.711 115.700 0.015 0.000 2.500 252 S HA -0.059 4.411 4.470 -0.000 0.000 0.239 252 S C 1.372 175.988 174.600 0.028 0.000 0.989 252 S CA 1.457 59.665 58.200 0.013 0.000 0.951 252 S CB -0.075 63.124 63.200 -0.001 0.000 0.759 252 S HN 0.690 nan 8.310 nan 0.000 0.523 253 K N -0.316 120.107 120.400 0.038 0.000 2.438 253 K HA 0.330 4.650 4.320 -0.000 0.000 0.206 253 K C -0.684 175.971 176.600 0.091 0.000 1.081 253 K CA -0.275 56.055 56.287 0.072 0.000 1.053 253 K CB 0.466 33.000 32.500 0.058 0.000 0.908 253 K HN 0.184 nan 8.250 nan 0.000 0.556 254 L N 2.066 123.325 121.223 0.061 0.000 2.276 254 L HA 0.270 4.610 4.340 -0.000 0.000 0.286 254 L C -0.833 176.068 176.870 0.051 0.000 1.061 254 L CA -0.452 54.426 54.840 0.064 0.000 0.807 254 L CB 1.314 43.403 42.059 0.049 0.000 1.177 254 L HN -0.242 nan 8.230 nan 0.000 0.429 255 V N 6.098 126.043 119.914 0.052 0.000 2.417 255 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 255 V C 0.187 176.320 176.094 0.064 0.000 1.024 255 V CA -0.633 61.671 62.300 0.006 0.000 0.861 255 V CB 1.446 33.197 31.823 -0.119 0.000 0.985 255 V HN 0.822 nan 8.190 nan 0.000 0.436 256 M N 3.720 123.360 119.600 0.067 0.000 2.144 256 M HA 0.555 5.035 4.480 -0.000 0.000 0.356 256 M C 0.652 177.024 176.300 0.120 0.000 1.217 256 M CA -0.212 55.143 55.300 0.092 0.000 1.087 256 M CB 0.856 33.514 32.600 0.097 0.000 1.609 256 M HN 0.869 nan 8.290 nan 0.000 0.467 257 G N 6.128 115.016 108.800 0.147 0.000 2.361 257 G HA2 0.495 4.455 3.960 -0.000 0.000 0.260 257 G HA3 0.495 4.455 3.960 -0.000 0.000 0.260 257 G C -0.782 174.288 174.900 0.283 0.000 1.261 257 G CA -0.470 44.791 45.100 0.268 0.000 0.897 257 G HN 0.786 nan 8.290 nan 0.000 0.499 258 I N 4.934 125.668 120.570 0.273 0.000 2.447 258 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 258 I C -2.096 174.106 176.117 0.142 0.000 1.023 258 I CA -2.282 59.118 61.300 0.168 0.000 1.083 258 I CB 3.131 41.178 38.000 0.079 0.000 1.245 258 I HN 0.338 nan 8.210 nan 0.000 0.434 259 P HA 0.178 nan 4.420 nan 0.000 0.282 259 P C 0.205 177.441 177.300 -0.108 0.000 1.249 259 P CA -0.257 62.733 63.100 -0.183 0.000 0.806 259 P CB 1.518 32.861 31.700 -0.596 0.000 0.984 260 T N -1.435 113.130 114.554 0.019 0.000 3.044 260 T HA 0.277 4.627 4.350 -0.000 0.000 0.260 260 T C 0.497 175.274 174.700 0.129 0.000 1.019 260 T CA -0.270 61.859 62.100 0.047 0.000 0.921 260 T CB -0.694 68.227 68.868 0.088 0.000 1.053 260 T HN 0.360 nan 8.240 nan 0.000 0.533 261 F N 0.430 120.413 119.950 0.055 0.000 2.541 261 F HA 0.928 5.455 4.527 -0.000 0.000 0.331 261 F C 0.163 175.984 175.800 0.035 0.000 1.057 261 F CA -1.834 56.168 58.000 0.004 0.000 0.975 261 F CB 0.826 39.800 39.000 -0.044 0.000 1.246 261 F HN 0.069 nan 8.300 nan 0.000 0.484 262 G N 0.582 109.367 108.800 -0.026 0.000 2.537 262 G HA2 0.594 4.553 3.960 -0.000 0.000 0.308 262 G HA3 0.594 4.553 3.960 -0.000 0.000 0.308 262 G C -1.393 173.346 174.900 -0.267 0.000 1.237 262 G CA -1.273 43.733 45.100 -0.156 0.000 0.968 262 G HN 0.567 nan 8.290 nan 0.000 0.481 263 R N 0.318 120.542 120.500 -0.460 0.000 2.338 263 R HA 0.554 4.894 4.340 -0.000 0.000 0.317 263 R C -0.126 175.825 176.300 -0.583 0.000 0.968 263 R CA -0.382 55.423 56.100 -0.491 0.000 0.849 263 R CB 1.492 31.488 30.300 -0.508 0.000 1.128 263 R HN 0.715 nan 8.270 nan 0.000 0.448 264 S N 2.066 117.349 115.700 -0.694 0.000 2.600 264 S HA 0.830 5.300 4.470 -0.000 0.000 0.300 264 S C -0.612 173.407 174.600 -0.968 0.000 1.087 264 S CA -0.656 57.128 58.200 -0.694 0.000 0.965 264 S CB 1.515 64.496 63.200 -0.365 0.000 1.089 264 S HN 0.332 nan 8.310 nan 0.000 0.496 265 F N -0.660 119.323 119.950 0.054 0.000 2.629 265 F HA 0.591 5.118 4.527 -0.000 0.000 0.316 265 F C 0.166 175.995 175.800 0.048 0.000 1.081 265 F CA -0.900 57.099 58.000 -0.002 0.000 0.954 265 F CB 1.810 40.752 39.000 -0.097 0.000 1.337 265 F HN 0.490 nan 8.300 nan 0.000 0.474 266 T N 3.079 117.762 114.554 0.215 0.000 2.756 266 T HA 0.539 4.889 4.350 -0.000 0.000 0.290 266 T C -0.116 174.657 174.700 0.123 0.000 0.985 266 T CA -0.518 61.674 62.100 0.153 0.000 0.955 266 T CB 0.240 69.170 68.868 0.105 0.000 0.930 266 T HN 0.297 nan 8.240 nan 0.000 0.451 267 L N 2.179 123.480 121.223 0.131 0.000 2.461 267 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 267 L C 1.373 178.269 176.870 0.043 0.000 1.197 267 L CA -0.396 54.485 54.840 0.069 0.000 0.836 267 L CB 0.356 42.481 42.059 0.111 0.000 1.105 267 L HN 0.734 nan 8.230 nan 0.000 0.477 268 A N 1.212 124.035 122.820 0.005 0.000 2.390 268 A HA 0.310 4.630 4.320 -0.000 0.000 0.232 268 A C 0.645 178.234 177.584 0.009 0.000 1.233 268 A CA 0.564 52.605 52.037 0.006 0.000 0.907 268 A CB 0.070 19.062 19.000 -0.014 0.000 0.967 268 A HN 0.761 nan 8.150 nan 0.000 0.512 269 S N -1.942 113.765 115.700 0.013 0.000 2.790 269 S HA 0.367 4.837 4.470 -0.000 0.000 0.292 269 S C 0.801 175.422 174.600 0.036 0.000 1.197 269 S CA 0.485 58.696 58.200 0.017 0.000 0.851 269 S CB 0.462 63.663 63.200 0.000 0.000 1.217 269 S HN 0.735 nan 8.310 nan 0.000 0.526 270 S N -0.432 115.289 115.700 0.035 0.000 2.522 270 S HA 0.129 4.599 4.470 -0.000 0.000 0.227 270 S C 0.202 174.836 174.600 0.057 0.000 0.986 270 S CA 0.066 58.296 58.200 0.050 0.000 0.929 270 S CB -0.809 62.415 63.200 0.042 0.000 0.769 270 S HN 0.714 nan 8.310 nan 0.000 0.529 271 E N 1.882 122.103 120.200 0.035 0.000 2.344 271 E HA 0.233 4.583 4.350 -0.000 0.000 0.270 271 E C 0.570 177.205 176.600 0.057 0.000 1.021 271 E CA 0.437 56.855 56.400 0.030 0.000 0.887 271 E CB 0.809 30.503 29.700 -0.010 0.000 0.997 271 E HN 0.551 nan 8.360 nan 0.000 0.429 272 T N -0.848 113.771 114.554 0.109 0.000 3.111 272 T HA 0.247 4.597 4.350 -0.000 0.000 0.284 272 T C 0.776 175.653 174.700 0.296 0.000 0.983 272 T CA -0.245 62.004 62.100 0.248 0.000 0.900 272 T CB 0.478 69.547 68.868 0.334 0.000 1.132 272 T HN 0.390 nan 8.240 nan 0.000 0.531 273 G N 1.216 110.080 108.800 0.106 0.000 2.553 273 G HA2 0.504 4.463 3.960 -0.000 0.000 0.278 273 G HA3 0.504 4.463 3.960 -0.000 0.000 0.278 273 G C -0.416 174.438 174.900 -0.077 0.000 1.349 273 G CA -0.568 44.570 45.100 0.064 0.000 1.037 273 G HN 0.315 nan 8.290 nan 0.000 0.508 274 V N 0.565 120.431 119.914 -0.080 0.000 2.572 274 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 274 V C 1.455 177.411 176.094 -0.229 0.000 1.039 274 V CA 1.710 63.908 62.300 -0.170 0.000 1.055 274 V CB 0.437 32.239 31.823 -0.036 0.000 0.969 274 V HN 1.775 nan 8.190 nan 0.000 0.482 275 G N 3.944 112.526 108.800 -0.362 0.000 2.175 275 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.244 275 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.244 275 G C 0.385 175.124 174.900 -0.269 0.000 0.982 275 G CA 0.075 45.013 45.100 -0.271 0.000 0.641 275 G HN 1.455 nan 8.290 nan 0.000 0.527 276 A N 1.290 123.902 122.820 -0.347 0.000 2.462 276 A HA 0.652 4.972 4.320 -0.000 0.000 0.243 276 A C -1.240 176.169 177.584 -0.292 0.000 1.076 276 A CA -0.502 51.371 52.037 -0.273 0.000 0.773 276 A CB 0.333 19.171 19.000 -0.270 0.000 1.010 276 A HN 0.267 nan 8.150 nan 0.000 0.493 277 P HA 0.337 nan 4.420 nan 0.000 0.271 277 P C -0.568 176.630 177.300 -0.171 0.000 1.216 277 P CA 0.263 63.262 63.100 -0.169 0.000 0.776 277 P CB 0.601 32.241 31.700 -0.100 0.000 0.881 278 I N -0.760 119.702 120.570 -0.180 0.000 2.957 278 I HA 0.542 4.711 4.170 -0.000 0.000 0.310 278 I C 0.754 176.838 176.117 -0.054 0.000 1.063 278 I CA -0.901 60.323 61.300 -0.126 0.000 1.033 278 I CB 2.300 40.178 38.000 -0.204 0.000 1.230 278 I HN 0.230 nan 8.210 nan 0.000 0.447 279 S N 1.132 116.831 115.700 -0.001 0.000 2.559 279 S HA 0.712 5.182 4.470 -0.000 0.000 0.226 279 S C 0.559 175.184 174.600 0.042 0.000 1.000 279 S CA 0.158 58.369 58.200 0.018 0.000 0.948 279 S CB -0.012 63.206 63.200 0.028 0.000 0.870 279 S HN 1.510 nan 8.310 nan 0.000 0.497 280 G N 1.467 110.303 108.800 0.060 0.000 2.344 280 G HA2 0.350 4.310 3.960 -0.000 0.000 0.282 280 G HA3 0.350 4.310 3.960 -0.000 0.000 0.282 280 G C -3.512 171.464 174.900 0.127 0.000 1.281 280 G CA -0.528 44.624 45.100 0.086 0.000 0.877 280 G HN 0.127 nan 8.290 nan 0.000 0.494 281 P HA 0.427 nan 4.420 nan 0.000 0.274 281 P C 0.627 177.938 177.300 0.019 0.000 1.256 281 P CA 0.418 63.540 63.100 0.037 0.000 0.795 281 P CB 0.848 32.547 31.700 -0.001 0.000 1.038 282 G N 0.556 109.315 108.800 -0.068 0.000 2.572 282 G HA2 0.331 4.291 3.960 -0.000 0.000 0.261 282 G HA3 0.331 4.291 3.960 -0.000 0.000 0.261 282 G C 0.148 175.038 174.900 -0.017 0.000 1.197 282 G CA -0.833 44.243 45.100 -0.038 0.000 0.870 282 G HN 0.434 nan 8.290 nan 0.000 0.548 283 I N 1.785 122.364 120.570 0.016 0.000 2.775 283 I HA 0.027 4.197 4.170 -0.000 0.000 0.290 283 I C -1.608 174.510 176.117 0.002 0.000 1.203 283 I CA -0.976 60.340 61.300 0.027 0.000 1.433 283 I CB 0.899 38.934 38.000 0.058 0.000 1.354 283 I HN 0.246 nan 8.210 nan 0.000 0.579 284 P HA 0.047 nan 4.420 nan 0.000 0.266 284 P C 0.030 177.333 177.300 0.004 0.000 1.195 284 P CA -0.195 62.907 63.100 0.002 0.000 0.768 284 P CB 0.443 32.153 31.700 0.017 0.000 0.838 285 G N 1.794 110.593 108.800 -0.002 0.000 2.569 285 G HA2 0.014 3.974 3.960 -0.000 0.000 0.249 285 G HA3 0.014 3.974 3.960 -0.000 0.000 0.249 285 G C 0.889 175.806 174.900 0.028 0.000 1.216 285 G CA -0.461 44.648 45.100 0.015 0.000 0.845 285 G HN 0.463 nan 8.290 nan 0.000 0.568 286 R N 0.655 121.164 120.500 0.016 0.000 2.120 286 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 286 R C 1.546 177.697 176.300 -0.248 0.000 1.123 286 R CA 1.389 57.399 56.100 -0.150 0.000 0.975 286 R CB -0.123 30.008 30.300 -0.282 0.000 0.866 286 R HN 0.622 nan 8.270 nan 0.000 0.446 287 F N -1.225 118.804 119.950 0.131 0.000 2.500 287 F HA 0.029 4.556 4.527 -0.000 0.000 0.285 287 F C 2.505 178.388 175.800 0.138 0.000 1.088 287 F CA 1.067 59.169 58.000 0.171 0.000 1.432 287 F CB -0.257 38.920 39.000 0.294 0.000 1.131 287 F HN 0.030 nan 8.300 nan 0.000 0.582 288 T N -2.309 112.403 114.554 0.264 0.000 3.067 288 T HA 0.028 4.378 4.350 -0.000 0.000 0.257 288 T C 0.596 175.370 174.700 0.124 0.000 1.105 288 T CA -0.137 62.063 62.100 0.166 0.000 1.104 288 T CB -0.618 68.291 68.868 0.069 0.000 0.925 288 T HN 0.082 nan 8.240 nan 0.000 0.498 289 K N 1.945 122.400 120.400 0.092 0.000 5.095 289 K HA -0.195 4.125 4.320 -0.000 0.000 0.311 289 K C -0.297 176.340 176.600 0.061 0.000 0.785 289 K CA 0.854 57.179 56.287 0.064 0.000 0.935 289 K CB -1.219 31.323 32.500 0.069 0.000 1.912 289 K HN 0.812 nan 8.250 nan 0.000 0.396 290 E N 0.920 121.143 120.200 0.038 0.000 2.642 290 E HA 0.330 4.680 4.350 -0.000 0.000 0.374 290 E C -0.918 175.685 176.600 0.005 0.000 0.961 290 E CA -0.158 56.261 56.400 0.032 0.000 0.748 290 E CB 0.721 30.445 29.700 0.040 0.000 1.516 290 E HN 0.481 nan 8.360 nan 0.000 0.388 291 A N 2.476 125.303 122.820 0.011 0.000 2.591 291 A HA 0.365 4.684 4.320 -0.000 0.000 0.244 291 A C 1.425 178.984 177.584 -0.041 0.000 1.031 291 A CA 1.561 53.595 52.037 -0.006 0.000 0.767 291 A CB -0.494 18.520 19.000 0.023 0.000 0.942 291 A HN 1.570 nan 8.150 nan 0.000 0.514 292 G N 1.942 110.682 108.800 -0.101 0.000 2.194 292 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.236 292 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.236 292 G C 0.338 175.118 174.900 -0.200 0.000 0.987 292 G CA 0.452 45.439 45.100 -0.189 0.000 0.635 292 G HN 1.373 nan 8.290 nan 0.000 0.520 293 T N 0.694 115.171 114.554 -0.128 0.000 2.908 293 T HA 0.770 5.119 4.350 -0.000 0.000 0.290 293 T C -0.540 174.101 174.700 -0.098 0.000 1.034 293 T CA -0.371 61.674 62.100 -0.092 0.000 1.010 293 T CB 2.172 70.999 68.868 -0.070 0.000 1.068 293 T HN 0.464 nan 8.240 nan 0.000 0.481 294 L N 1.518 122.693 121.223 -0.081 0.000 2.526 294 L HA 0.649 4.989 4.340 -0.000 0.000 0.263 294 L C -0.111 176.682 176.870 -0.128 0.000 0.943 294 L CA -1.193 53.561 54.840 -0.142 0.000 0.859 294 L CB 1.843 43.767 42.059 -0.225 0.000 1.313 294 L HN 0.788 nan 8.230 nan 0.000 0.406 295 A N 1.237 123.884 122.820 -0.288 0.000 2.313 295 A HA 0.217 4.537 4.320 -0.000 0.000 0.261 295 A C 0.421 177.789 177.584 -0.359 0.000 1.090 295 A CA 0.123 51.922 52.037 -0.396 0.000 0.807 295 A CB 0.194 18.590 19.000 -1.006 0.000 1.055 295 A HN 0.750 nan 8.150 nan 0.000 0.492 296 Y N 1.028 121.154 120.300 -0.290 0.000 2.165 296 Y HA -0.332 4.218 4.550 -0.000 0.000 0.286 296 Y C 2.129 177.910 175.900 -0.198 0.000 1.155 296 Y CA 2.865 60.863 58.100 -0.169 0.000 1.164 296 Y CB -0.760 37.686 38.460 -0.024 0.000 0.978 296 Y HN 0.826 nan 8.280 nan 0.000 0.513 297 Y N -0.800 119.340 120.300 -0.267 0.000 2.224 297 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 297 Y C 1.877 177.502 175.900 -0.458 0.000 1.146 297 Y CA 1.345 59.135 58.100 -0.517 0.000 1.182 297 Y CB -1.296 36.583 38.460 -0.969 0.000 0.983 297 Y HN 0.177 nan 8.280 nan 0.000 0.524 298 E N 0.795 120.682 120.200 -0.521 0.000 2.152 298 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 298 E C 2.130 178.635 176.600 -0.157 0.000 0.983 298 E CA 1.260 57.550 56.400 -0.183 0.000 0.818 298 E CB -0.228 29.359 29.700 -0.188 0.000 0.758 298 E HN 0.552 nan 8.360 nan 0.000 0.467 299 I N 0.885 121.267 120.570 -0.314 0.000 2.226 299 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 299 I C 2.313 178.259 176.117 -0.286 0.000 1.100 299 I CA 0.700 61.791 61.300 -0.348 0.000 1.374 299 I CB -0.244 37.425 38.000 -0.551 0.000 1.057 299 I HN 0.224 nan 8.210 nan 0.000 0.413 300 c N 0.413 118.771 118.600 -0.404 0.000 2.410 300 c HA -0.199 4.371 4.570 -0.000 0.000 0.281 300 c C 2.540 176.587 174.090 -0.071 0.000 1.318 300 c CA 1.050 57.211 56.329 -0.280 0.000 1.776 300 c CB -1.078 41.255 42.510 -0.295 0.000 1.942 300 c HN 0.570 nan 8.230 nan 0.000 0.508 301 D N -0.186 120.222 120.400 0.013 0.000 2.085 301 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 301 D C 1.915 178.259 176.300 0.072 0.000 0.981 301 D CA 1.028 55.084 54.000 0.093 0.000 0.834 301 D CB -0.476 40.431 40.800 0.178 0.000 0.992 301 D HN 0.430 nan 8.370 nan 0.000 0.457 302 F N 1.557 121.460 119.950 -0.078 0.000 2.147 302 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 302 F C 2.254 178.000 175.800 -0.090 0.000 1.084 302 F CA 1.187 59.139 58.000 -0.081 0.000 1.268 302 F CB -0.293 38.636 39.000 -0.118 0.000 1.009 302 F HN -0.015 nan 8.300 nan 0.000 0.486 303 L N 0.019 121.256 121.223 0.022 0.000 2.261 303 L HA -0.176 4.163 4.340 -0.000 0.000 0.216 303 L C 0.843 177.646 176.870 -0.112 0.000 1.114 303 L CA 0.785 55.590 54.840 -0.058 0.000 0.777 303 L CB -0.652 41.370 42.059 -0.062 0.000 0.910 303 L HN -0.019 nan 8.230 nan 0.000 0.440 304 R N 0.303 120.739 120.500 -0.107 0.000 2.345 304 R HA 0.201 4.541 4.340 -0.000 0.000 0.331 304 R C 1.078 177.293 176.300 -0.142 0.000 1.067 304 R CA 0.672 56.714 56.100 -0.096 0.000 0.962 304 R CB 0.050 30.314 30.300 -0.060 0.000 0.987 304 R HN 0.293 nan 8.270 nan 0.000 0.451 305 G N 1.329 110.054 108.800 -0.124 0.000 2.175 305 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 305 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 305 G C 0.199 174.997 174.900 -0.169 0.000 0.982 305 G CA -0.070 44.952 45.100 -0.130 0.000 0.641 305 G HN 0.796 nan 8.290 nan 0.000 0.527 306 A N -0.463 122.232 122.820 -0.208 0.000 2.252 306 A HA 0.862 5.182 4.320 -0.000 0.000 0.305 306 A C 0.349 177.868 177.584 -0.108 0.000 1.097 306 A CA 0.617 52.527 52.037 -0.211 0.000 0.849 306 A CB 0.945 19.761 19.000 -0.306 0.000 1.142 306 A HN 0.706 nan 8.150 nan 0.000 0.499 307 T N 0.785 115.299 114.554 -0.066 0.000 2.779 307 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 307 T C -0.420 174.151 174.700 -0.215 0.000 0.987 307 T CA -0.269 61.751 62.100 -0.134 0.000 0.966 307 T CB 1.113 69.930 68.868 -0.086 0.000 0.933 307 T HN 0.433 nan 8.240 nan 0.000 0.442 308 V N 4.464 124.183 119.914 -0.324 0.000 2.532 308 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 308 V C -0.264 175.408 176.094 -0.703 0.000 1.041 308 V CA -0.788 61.310 62.300 -0.336 0.000 0.926 308 V CB 1.201 32.950 31.823 -0.123 0.000 0.992 308 V HN 0.840 nan 8.190 nan 0.000 0.457 309 H N 3.968 122.708 119.070 -0.551 0.000 2.782 309 H HA 0.451 5.007 4.556 -0.000 0.000 0.347 309 H C -0.745 174.322 175.328 -0.435 0.000 1.038 309 H CA -0.882 54.839 56.048 -0.545 0.000 1.255 309 H CB 1.978 31.221 29.762 -0.865 0.000 1.623 309 H HN 0.499 nan 8.280 nan 0.000 0.525 310 R N 3.253 123.677 120.500 -0.125 0.000 2.234 310 R HA 0.302 4.641 4.340 -0.000 0.000 0.324 310 R C 0.277 176.572 176.300 -0.009 0.000 1.054 310 R CA -0.606 55.440 56.100 -0.089 0.000 0.912 310 R CB 0.826 31.088 30.300 -0.064 0.000 1.030 310 R HN 0.499 nan 8.270 nan 0.000 0.455 311 I N 4.211 124.796 120.570 0.024 0.000 2.533 311 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 311 I C 0.854 176.994 176.117 0.038 0.000 1.109 311 I CA -0.060 61.298 61.300 0.096 0.000 1.412 311 I CB 0.415 38.496 38.000 0.134 0.000 1.396 311 I HN 0.257 nan 8.210 nan 0.000 0.543 312 L N 6.708 127.959 121.223 0.047 0.000 2.410 312 L HA 0.213 4.553 4.340 -0.000 0.000 0.273 312 L C 1.382 178.265 176.870 0.021 0.000 1.152 312 L CA 0.522 55.376 54.840 0.025 0.000 0.855 312 L CB 0.539 42.611 42.059 0.022 0.000 1.129 312 L HN 1.032 nan 8.230 nan 0.000 0.463 313 G N 2.147 110.957 108.800 0.017 0.000 2.383 313 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.229 313 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.229 313 G C 0.868 175.829 174.900 0.102 0.000 1.089 313 G CA 0.313 45.428 45.100 0.026 0.000 0.640 313 G HN 0.627 nan 8.290 nan 0.000 0.510 314 Q N -0.103 119.727 119.800 0.050 0.000 2.424 314 Q HA 0.154 4.494 4.340 -0.000 0.000 0.204 314 Q C 0.877 176.853 176.000 -0.041 0.000 0.933 314 Q CA 0.675 56.481 55.803 0.005 0.000 0.929 314 Q CB 0.238 28.931 28.738 -0.075 0.000 1.037 314 Q HN 0.580 nan 8.270 nan 0.000 0.511 315 Q N -0.509 119.287 119.800 -0.006 0.000 2.481 315 Q HA -0.151 4.189 4.340 -0.000 0.000 0.272 315 Q C -0.685 175.236 176.000 -0.133 0.000 1.157 315 Q CA 1.092 56.878 55.803 -0.029 0.000 0.935 315 Q CB -2.396 26.369 28.738 0.044 0.000 1.338 315 Q HN 0.347 nan 8.270 nan 0.000 0.494 316 V N -3.876 115.914 119.914 -0.205 0.000 2.971 316 V HA 0.882 5.002 4.120 -0.000 0.000 0.309 316 V C -2.633 173.309 176.094 -0.252 0.000 1.130 316 V CA -2.180 59.928 62.300 -0.320 0.000 0.964 316 V CB 2.784 34.178 31.823 -0.716 0.000 1.029 316 V HN -0.088 nan 8.190 nan 0.000 0.427 317 P HA 0.538 nan 4.420 nan 0.000 0.285 317 P C -1.896 175.243 177.300 -0.268 0.000 1.269 317 P CA -0.248 62.651 63.100 -0.335 0.000 0.844 317 P CB 1.572 32.970 31.700 -0.503 0.000 1.094 318 Y N -0.837 119.334 120.300 -0.216 0.000 2.576 318 Y HA 0.846 5.396 4.550 -0.000 0.000 0.346 318 Y C -1.497 174.330 175.900 -0.122 0.000 1.018 318 Y CA -1.708 56.196 58.100 -0.327 0.000 1.050 318 Y CB 1.017 38.942 38.460 -0.892 0.000 1.280 318 Y HN 0.594 nan 8.280 nan 0.000 0.474 319 A N 1.441 124.340 122.820 0.132 0.000 2.413 319 A HA 0.812 5.132 4.320 -0.000 0.000 0.307 319 A C -0.942 176.807 177.584 0.275 0.000 1.087 319 A CA -0.606 51.559 52.037 0.213 0.000 0.750 319 A CB 1.803 21.035 19.000 0.387 0.000 1.296 319 A HN 0.971 nan 8.150 nan 0.000 0.423 320 T N 0.340 115.085 114.554 0.318 0.000 2.916 320 T HA 0.667 5.017 4.350 -0.000 0.000 0.305 320 T C -1.416 173.414 174.700 0.217 0.000 1.119 320 T CA -0.520 61.808 62.100 0.380 0.000 1.008 320 T CB 1.022 70.122 68.868 0.387 0.000 1.129 320 T HN 0.779 nan 8.240 nan 0.000 0.480 321 K N 2.596 123.118 120.400 0.203 0.000 2.587 321 K HA 0.514 4.834 4.320 -0.000 0.000 0.256 321 K C 0.427 177.074 176.600 0.079 0.000 0.974 321 K CA 0.194 56.458 56.287 -0.039 0.000 0.855 321 K CB 0.961 33.148 32.500 -0.521 0.000 1.292 321 K HN 1.101 nan 8.250 nan 0.000 0.444 322 G N 3.581 112.423 108.800 0.069 0.000 2.582 322 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.288 322 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.288 322 G C 0.160 175.152 174.900 0.153 0.000 1.247 322 G CA 0.538 45.694 45.100 0.093 0.000 0.972 322 G HN 0.954 nan 8.290 nan 0.000 0.557 323 N N 0.273 119.063 118.700 0.150 0.000 2.362 323 N HA 0.184 4.924 4.740 -0.000 0.000 0.211 323 N C 0.162 175.806 175.510 0.224 0.000 1.170 323 N CA 0.049 53.197 53.050 0.165 0.000 0.828 323 N CB 0.198 38.755 38.487 0.117 0.000 1.034 323 N HN 0.493 nan 8.380 nan 0.000 0.475 324 Q N 0.511 120.496 119.800 0.309 0.000 2.309 324 Q HA 0.290 4.630 4.340 -0.000 0.000 0.264 324 Q C -1.768 174.556 176.000 0.540 0.000 1.008 324 Q CA -0.334 55.702 55.803 0.389 0.000 0.853 324 Q CB 2.184 31.213 28.738 0.485 0.000 1.314 324 Q HN 0.443 nan 8.270 nan 0.000 0.448 325 W N 1.938 123.355 121.300 0.195 0.000 3.259 325 W HA 0.565 5.225 4.660 -0.000 0.000 0.331 325 W C -1.712 174.829 176.519 0.037 0.000 1.144 325 W CA -0.686 56.791 57.345 0.220 0.000 1.227 325 W CB 1.317 30.922 29.460 0.241 0.000 1.371 325 W HN 0.377 nan 8.180 nan 0.000 0.491 326 V N 5.631 125.624 119.914 0.131 0.000 2.808 326 V HA 0.873 4.993 4.120 -0.000 0.000 0.308 326 V C -0.632 175.478 176.094 0.027 0.000 1.099 326 V CA -0.417 61.889 62.300 0.010 0.000 0.920 326 V CB 1.767 33.383 31.823 -0.346 0.000 1.014 326 V HN 0.734 nan 8.190 nan 0.000 0.425 327 G N 5.715 114.584 108.800 0.116 0.000 2.335 327 G HA2 0.651 4.610 3.960 -0.000 0.000 0.314 327 G HA3 0.651 4.610 3.960 -0.000 0.000 0.314 327 G C -1.168 173.685 174.900 -0.080 0.000 1.129 327 G CA -0.160 44.928 45.100 -0.021 0.000 0.912 327 G HN 1.235 nan 8.290 nan 0.000 0.443 328 Y N -0.412 119.887 120.300 -0.001 0.000 2.889 328 Y HA 0.743 5.293 4.550 -0.000 0.000 0.317 328 Y C -1.012 175.027 175.900 0.232 0.000 1.414 328 Y CA -1.861 56.290 58.100 0.085 0.000 1.091 328 Y CB 1.120 39.617 38.460 0.062 0.000 1.358 328 Y HN 0.297 nan 8.280 nan 0.000 0.487 329 D N 0.936 121.440 120.400 0.173 0.000 2.498 329 D HA 0.295 4.935 4.640 -0.000 0.000 0.247 329 D C -1.509 174.851 176.300 0.100 0.000 1.070 329 D CA -0.202 53.809 54.000 0.018 0.000 0.842 329 D CB 2.211 43.000 40.800 -0.019 0.000 1.361 329 D HN 0.711 nan 8.370 nan 0.000 0.484 330 D N 0.424 120.841 120.400 0.028 0.000 2.654 330 D HA 0.140 4.780 4.640 -0.000 0.000 0.255 330 D C 0.982 177.268 176.300 -0.025 0.000 1.101 330 D CA -0.461 53.597 54.000 0.097 0.000 1.116 330 D CB 0.632 41.599 40.800 0.279 0.000 1.348 330 D HN 0.076 nan 8.370 nan 0.000 0.609 331 Q N -0.441 119.364 119.800 0.008 0.000 2.077 331 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 331 Q C 1.805 177.804 176.000 -0.003 0.000 0.989 331 Q CA 2.264 58.065 55.803 -0.004 0.000 0.853 331 Q CB -0.103 28.658 28.738 0.039 0.000 0.907 331 Q HN 0.711 nan 8.270 nan 0.000 0.418 332 E N -0.209 119.997 120.200 0.010 0.000 2.051 332 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 332 E C 1.960 178.546 176.600 -0.023 0.000 0.991 332 E CA 1.621 58.019 56.400 -0.003 0.000 0.799 332 E CB -0.044 29.656 29.700 -0.001 0.000 0.748 332 E HN 0.409 nan 8.360 nan 0.000 0.449 333 S N 0.412 116.085 115.700 -0.045 0.000 2.383 333 S HA -0.140 4.329 4.470 -0.000 0.000 0.227 333 S C 2.265 176.828 174.600 -0.061 0.000 1.026 333 S CA 1.258 59.416 58.200 -0.070 0.000 0.981 333 S CB -0.737 62.393 63.200 -0.116 0.000 0.818 333 S HN 0.338 nan 8.310 nan 0.000 0.472 334 V N 0.047 119.928 119.914 -0.055 0.000 2.626 334 V HA 0.009 4.129 4.120 -0.000 0.000 0.252 334 V C 2.229 178.305 176.094 -0.030 0.000 1.067 334 V CA 1.600 63.872 62.300 -0.047 0.000 1.081 334 V CB -0.970 30.823 31.823 -0.051 0.000 0.686 334 V HN 0.370 nan 8.190 nan 0.000 0.468 335 K N 0.981 121.368 120.400 -0.022 0.000 2.097 335 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 335 K C 2.450 179.049 176.600 -0.000 0.000 1.050 335 K CA 1.587 57.868 56.287 -0.011 0.000 0.938 335 K CB -0.277 32.221 32.500 -0.003 0.000 0.718 335 K HN 0.578 nan 8.250 nan 0.000 0.442 336 S N 1.360 117.061 115.700 0.002 0.000 2.382 336 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 336 S C 1.677 176.300 174.600 0.038 0.000 1.027 336 S CA 1.185 59.403 58.200 0.029 0.000 0.991 336 S CB -0.066 63.147 63.200 0.021 0.000 0.823 336 S HN 0.280 nan 8.310 nan 0.000 0.469 337 K N 0.710 121.100 120.400 -0.017 0.000 2.097 337 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 337 K C 2.057 178.688 176.600 0.052 0.000 1.049 337 K CA 1.123 57.391 56.287 -0.032 0.000 0.933 337 K CB -0.344 32.113 32.500 -0.072 0.000 0.717 337 K HN 0.177 nan 8.250 nan 0.000 0.442 338 V N 1.396 121.316 119.914 0.010 0.000 2.283 338 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 338 V C 2.452 178.532 176.094 -0.024 0.000 1.039 338 V CA 1.492 63.771 62.300 -0.035 0.000 1.016 338 V CB -0.410 31.370 31.823 -0.070 0.000 0.650 338 V HN 0.331 nan 8.190 nan 0.000 0.449 339 Q N -0.638 119.170 119.800 0.012 0.000 2.096 339 Q HA -0.296 4.044 4.340 -0.000 0.000 0.208 339 Q C 2.162 178.201 176.000 0.065 0.000 0.993 339 Q CA 2.677 58.497 55.803 0.029 0.000 0.862 339 Q CB -0.558 28.215 28.738 0.058 0.000 0.915 339 Q HN 0.815 nan 8.270 nan 0.000 0.416 340 Y N 1.450 121.741 120.300 -0.015 0.000 2.145 340 Y HA -0.280 4.270 4.550 -0.000 0.000 0.286 340 Y C 2.212 178.102 175.900 -0.017 0.000 1.145 340 Y CA 1.965 60.068 58.100 0.005 0.000 1.148 340 Y CB -0.333 38.109 38.460 -0.029 0.000 0.981 340 Y HN 0.205 nan 8.280 nan 0.000 0.507 341 L N 0.073 121.363 121.223 0.112 0.000 2.056 341 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 341 L C 1.926 178.733 176.870 -0.106 0.000 1.078 341 L CA 1.755 56.590 54.840 -0.009 0.000 0.749 341 L CB -1.228 40.859 42.059 0.046 0.000 0.901 341 L HN -0.020 nan 8.230 nan 0.000 0.433 342 K N 0.291 120.606 120.400 -0.142 0.000 2.032 342 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 342 K C 1.867 178.454 176.600 -0.022 0.000 1.048 342 K CA 1.777 58.009 56.287 -0.091 0.000 0.927 342 K CB -0.566 31.849 32.500 -0.141 0.000 0.712 342 K HN 0.347 nan 8.250 nan 0.000 0.441 343 D N 0.387 120.737 120.400 -0.082 0.000 2.133 343 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 343 D C 1.805 178.029 176.300 -0.126 0.000 0.997 343 D CA 1.051 54.995 54.000 -0.093 0.000 0.840 343 D CB -0.018 40.708 40.800 -0.122 0.000 0.947 343 D HN 0.048 nan 8.370 nan 0.000 0.452 344 R N 0.248 120.618 120.500 -0.217 0.000 2.307 344 R HA 0.072 4.412 4.340 -0.000 0.000 0.199 344 R C 0.273 176.536 176.300 -0.062 0.000 1.000 344 R CA 0.113 56.102 56.100 -0.186 0.000 1.023 344 R CB -0.107 30.015 30.300 -0.297 0.000 0.908 344 R HN 0.388 nan 8.270 nan 0.000 0.473 345 Q N 0.448 120.245 119.800 -0.005 0.000 2.478 345 Q HA -0.166 4.174 4.340 -0.000 0.000 0.286 345 Q C -0.680 175.377 176.000 0.095 0.000 1.299 345 Q CA 0.365 56.212 55.803 0.073 0.000 0.826 345 Q CB -1.765 26.992 28.738 0.032 0.000 1.199 345 Q HN 0.305 nan 8.270 nan 0.000 0.451 346 L N -1.123 120.167 121.223 0.112 0.000 2.456 346 L HA 0.357 4.697 4.340 -0.000 0.000 0.257 346 L C 1.747 178.733 176.870 0.194 0.000 1.162 346 L CA 0.409 55.314 54.840 0.109 0.000 0.808 346 L CB 0.295 42.398 42.059 0.073 0.000 1.136 346 L HN 0.310 nan 8.230 nan 0.000 0.466 347 A N 1.241 124.130 122.820 0.115 0.000 1.908 347 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 347 A C 1.006 178.698 177.584 0.179 0.000 1.181 347 A CA 1.851 53.945 52.037 0.096 0.000 0.627 347 A CB -0.469 18.540 19.000 0.016 0.000 0.818 347 A HN 0.985 nan 8.150 nan 0.000 0.445 348 G N -3.271 105.597 108.800 0.113 0.000 2.399 348 G HA2 0.589 4.549 3.960 -0.000 0.000 0.256 348 G HA3 0.589 4.549 3.960 -0.000 0.000 0.256 348 G C -1.084 173.813 174.900 -0.006 0.000 1.236 348 G CA 0.013 45.157 45.100 0.074 0.000 0.914 348 G HN 1.296 nan 8.290 nan 0.000 0.482 349 A N -0.318 122.488 122.820 -0.024 0.000 2.386 349 A HA 0.804 5.124 4.320 -0.000 0.000 0.311 349 A C -0.340 177.252 177.584 0.014 0.000 1.068 349 A CA -0.474 51.565 52.037 0.004 0.000 0.743 349 A CB 1.847 20.848 19.000 0.002 0.000 1.258 349 A HN 1.187 nan 8.150 nan 0.000 0.429 350 M N 2.631 122.283 119.600 0.086 0.000 2.404 350 M HA 0.640 5.120 4.480 -0.000 0.000 0.338 350 M C -1.891 174.556 176.300 0.246 0.000 1.150 350 M CA -0.527 54.874 55.300 0.168 0.000 1.016 350 M CB 1.451 34.216 32.600 0.274 0.000 1.672 350 M HN 0.400 nan 8.290 nan 0.000 0.448 351 V N 5.336 125.417 119.914 0.279 0.000 2.444 351 V HA 0.427 4.547 4.120 -0.000 0.000 0.294 351 V C -1.269 175.049 176.094 0.374 0.000 1.022 351 V CA -0.652 61.808 62.300 0.267 0.000 0.850 351 V CB 1.949 33.856 31.823 0.139 0.000 0.992 351 V HN 0.864 nan 8.190 nan 0.000 0.426 352 W N 6.339 127.727 121.300 0.147 0.000 2.393 352 W HA 0.802 5.462 4.660 -0.000 0.000 0.315 352 W C -0.583 175.990 176.519 0.090 0.000 1.009 352 W CA -0.474 56.913 57.345 0.069 0.000 1.313 352 W CB 1.667 31.087 29.460 -0.068 0.000 1.269 352 W HN 0.685 nan 8.180 nan 0.000 0.420 353 A N 4.730 127.429 122.820 -0.202 0.000 2.569 353 A HA 0.516 4.836 4.320 -0.000 0.000 0.290 353 A C 0.166 177.629 177.584 -0.202 0.000 1.136 353 A CA -0.642 51.097 52.037 -0.496 0.000 0.710 353 A CB 1.401 19.649 19.000 -1.253 0.000 1.303 353 A HN 0.599 nan 8.150 nan 0.000 0.413 354 L N -0.261 120.862 121.223 -0.167 0.000 2.083 354 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 354 L C 1.840 178.752 176.870 0.069 0.000 1.083 354 L CA 2.283 57.151 54.840 0.046 0.000 0.752 354 L CB -0.436 41.647 42.059 0.040 0.000 0.899 354 L HN 0.991 nan 8.230 nan 0.000 0.433 355 D N -0.963 119.304 120.400 -0.223 0.000 2.363 355 D HA -0.116 4.524 4.640 -0.000 0.000 0.226 355 D C 1.762 178.014 176.300 -0.080 0.000 1.020 355 D CA 0.603 54.371 54.000 -0.386 0.000 0.892 355 D CB -0.047 40.360 40.800 -0.655 0.000 0.900 355 D HN 0.323 nan 8.370 nan 0.000 0.531 356 L N -0.740 120.474 121.223 -0.015 0.000 2.609 356 L HA 0.197 4.537 4.340 -0.000 0.000 0.230 356 L C 1.001 177.981 176.870 0.185 0.000 1.087 356 L CA -0.283 54.589 54.840 0.054 0.000 0.874 356 L CB 0.023 42.076 42.059 -0.009 0.000 1.114 356 L HN 0.034 nan 8.230 nan 0.000 0.488 357 D N 0.568 121.118 120.400 0.251 0.000 2.384 357 D HA -0.057 4.583 4.640 -0.000 0.000 0.244 357 D C -0.255 176.260 176.300 0.359 0.000 1.251 357 D CA -0.101 54.074 54.000 0.292 0.000 0.961 357 D CB 0.855 41.839 40.800 0.308 0.000 1.116 357 D HN -0.130 nan 8.370 nan 0.000 0.484 358 D N 0.593 121.165 120.400 0.287 0.000 2.551 358 D HA 0.013 4.653 4.640 -0.000 0.000 0.223 358 D C 0.922 177.071 176.300 -0.251 0.000 1.144 358 D CA -0.320 53.741 54.000 0.101 0.000 1.025 358 D CB -0.935 39.966 40.800 0.169 0.000 1.085 358 D HN 0.336 nan 8.370 nan 0.000 0.506 359 F N 0.970 120.621 119.950 -0.497 0.000 2.234 359 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 359 F C 1.748 177.172 175.800 -0.627 0.000 1.087 359 F CA 0.527 57.860 58.000 -1.111 0.000 1.340 359 F CB -0.443 38.142 39.000 -0.691 0.000 1.031 359 F HN 0.132 nan 8.300 nan 0.000 0.500 360 Q N 1.327 120.455 119.800 -1.121 0.000 2.119 360 Q HA 0.046 4.386 4.340 -0.000 0.000 0.201 360 Q C 2.129 177.916 176.000 -0.355 0.000 0.972 360 Q CA 1.495 56.884 55.803 -0.691 0.000 0.847 360 Q CB -0.914 27.444 28.738 -0.634 0.000 0.903 360 Q HN 0.754 nan 8.270 nan 0.000 0.433 361 G N 0.579 109.209 108.800 -0.284 0.000 2.143 361 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.249 361 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.249 361 G C 0.645 175.491 174.900 -0.090 0.000 0.981 361 G CA 0.816 45.834 45.100 -0.136 0.000 0.665 361 G HN 0.453 nan 8.290 nan 0.000 0.528 362 S N -1.515 114.110 115.700 -0.126 0.000 2.819 362 S HA 0.536 5.006 4.470 -0.000 0.000 0.249 362 S C 1.143 175.603 174.600 -0.233 0.000 1.030 362 S CA 0.225 58.315 58.200 -0.185 0.000 1.052 362 S CB -0.028 63.004 63.200 -0.280 0.000 1.017 362 S HN 0.186 nan 8.310 nan 0.000 0.576 363 F N 1.155 121.008 119.950 -0.161 0.000 2.582 363 F HA 0.331 4.858 4.527 -0.000 0.000 0.290 363 F C 2.049 177.795 175.800 -0.090 0.000 1.115 363 F CA -0.179 57.751 58.000 -0.117 0.000 1.445 363 F CB -0.199 38.741 39.000 -0.099 0.000 1.126 363 F HN 0.305 nan 8.300 nan 0.000 0.574 364 c N -0.582 118.082 118.600 0.107 0.000 2.882 364 c HA 0.433 5.003 4.570 -0.000 0.000 0.109 364 c C 2.641 176.743 174.090 0.020 0.000 2.659 364 c CA 0.428 56.776 56.329 0.032 0.000 1.714 364 c CB -0.891 41.649 42.510 0.049 0.000 2.336 364 c HN 0.506 nan 8.230 nan 0.000 0.247 365 G N -0.491 108.329 108.800 0.034 0.000 2.724 365 G HA2 0.242 4.202 3.960 -0.000 0.000 0.217 365 G HA3 0.242 4.202 3.960 -0.000 0.000 0.217 365 G C 0.594 175.502 174.900 0.014 0.000 1.251 365 G CA 0.239 45.352 45.100 0.022 0.000 0.867 365 G HN 0.729 nan 8.290 nan 0.000 0.590 366 Q N 0.546 120.362 119.800 0.027 0.000 2.779 366 Q HA 0.271 4.611 4.340 -0.000 0.000 0.187 366 Q C 0.184 176.187 176.000 0.005 0.000 1.187 366 Q CA 0.649 56.464 55.803 0.019 0.000 1.274 366 Q CB 0.331 29.089 28.738 0.033 0.000 1.504 366 Q HN 0.223 nan 8.270 nan 0.000 0.683 367 D N -0.813 119.590 120.400 0.004 0.000 2.513 367 D HA 0.138 4.778 4.640 -0.000 0.000 0.222 367 D C -0.648 175.652 176.300 0.001 0.000 1.210 367 D CA -0.196 53.797 54.000 -0.012 0.000 0.825 367 D CB 0.397 41.187 40.800 -0.016 0.000 1.037 367 D HN 0.178 nan 8.370 nan 0.000 0.506 368 L N 2.455 123.692 121.223 0.024 0.000 2.360 368 L HA 0.214 4.554 4.340 -0.000 0.000 0.276 368 L C 0.387 177.283 176.870 0.043 0.000 1.121 368 L CA -0.383 54.486 54.840 0.048 0.000 0.845 368 L CB 0.445 42.544 42.059 0.068 0.000 1.143 368 L HN -0.074 nan 8.230 nan 0.000 0.452 369 R N 3.373 123.905 120.500 0.053 0.000 2.531 369 R HA 0.441 4.781 4.340 -0.000 0.000 0.273 369 R C -0.581 175.790 176.300 0.119 0.000 1.070 369 R CA -0.588 55.496 56.100 -0.026 0.000 1.112 369 R CB 0.017 30.319 30.300 0.003 0.000 1.049 369 R HN 0.542 nan 8.270 nan 0.000 0.508 370 F N -0.476 119.551 119.950 0.129 0.000 2.866 370 F HA -0.152 4.375 4.527 -0.000 0.000 0.254 370 F C -1.360 174.494 175.800 0.091 0.000 1.009 370 F CA 0.296 58.369 58.000 0.123 0.000 0.907 370 F CB -1.273 37.789 39.000 0.104 0.000 0.859 370 F HN 0.646 nan 8.300 nan 0.000 0.842 371 P HA -0.197 nan 4.420 nan 0.000 0.215 371 P C 1.801 179.141 177.300 0.066 0.000 1.157 371 P CA 1.685 64.870 63.100 0.141 0.000 0.868 371 P CB 0.258 32.074 31.700 0.193 0.000 0.788 372 L N -0.767 120.446 121.223 -0.017 0.000 2.056 372 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 372 L C 2.643 179.516 176.870 0.005 0.000 1.078 372 L CA 1.972 56.750 54.840 -0.103 0.000 0.749 372 L CB -1.685 40.212 42.059 -0.269 0.000 0.901 372 L HN 0.012 nan 8.230 nan 0.000 0.433 373 T N -0.821 113.786 114.554 0.089 0.000 2.867 373 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 373 T C 1.726 176.469 174.700 0.072 0.000 1.057 373 T CA 0.949 63.101 62.100 0.087 0.000 1.136 373 T CB -0.194 68.744 68.868 0.117 0.000 0.874 373 T HN 0.273 nan 8.240 nan 0.000 0.466 374 N N 1.143 119.908 118.700 0.110 0.000 2.331 374 N HA 0.066 4.806 4.740 -0.000 0.000 0.180 374 N C 2.137 177.680 175.510 0.056 0.000 1.019 374 N CA 0.974 54.077 53.050 0.088 0.000 0.881 374 N CB -0.212 38.348 38.487 0.121 0.000 0.972 374 N HN 0.406 nan 8.380 nan 0.000 0.435 375 A N 1.295 124.142 122.820 0.044 0.000 1.898 375 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 375 A C 2.241 179.831 177.584 0.009 0.000 1.181 375 A CA 0.824 52.874 52.037 0.022 0.000 0.620 375 A CB -0.478 18.524 19.000 0.003 0.000 0.819 375 A HN 0.178 nan 8.150 nan 0.000 0.442 376 I N -0.743 119.831 120.570 0.007 0.000 2.353 376 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 376 I C 2.515 178.632 176.117 -0.000 0.000 1.119 376 I CA 1.546 62.844 61.300 -0.003 0.000 1.417 376 I CB -0.268 37.733 38.000 0.001 0.000 1.078 376 I HN 0.379 nan 8.210 nan 0.000 0.421 377 K N 1.250 121.660 120.400 0.017 0.000 1.985 377 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 377 K C 1.707 178.322 176.600 0.024 0.000 1.047 377 K CA 2.089 58.390 56.287 0.024 0.000 0.932 377 K CB -0.093 32.427 32.500 0.034 0.000 0.716 377 K HN 0.185 nan 8.250 nan 0.000 0.439 378 D N 0.436 120.852 120.400 0.026 0.000 2.123 378 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 378 D C 1.797 178.105 176.300 0.014 0.000 0.992 378 D CA 1.493 55.508 54.000 0.024 0.000 0.833 378 D CB -0.282 40.533 40.800 0.026 0.000 0.954 378 D HN 0.404 nan 8.370 nan 0.000 0.455 379 A N 0.678 123.499 122.820 0.001 0.000 1.930 379 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 379 A C 2.425 179.988 177.584 -0.036 0.000 1.175 379 A CA 0.749 52.777 52.037 -0.015 0.000 0.627 379 A CB -0.748 18.238 19.000 -0.024 0.000 0.815 379 A HN 0.195 nan 8.150 nan 0.000 0.443 380 L N -0.853 120.341 121.223 -0.048 0.000 2.079 380 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 380 L C 3.039 179.932 176.870 0.039 0.000 1.081 380 L CA 1.219 56.009 54.840 -0.083 0.000 0.752 380 L CB -0.437 41.596 42.059 -0.043 0.000 0.896 380 L HN 0.459 nan 8.230 nan 0.000 0.433 381 A N -0.166 122.688 122.820 0.056 0.000 1.930 381 A HA 0.179 4.499 4.320 -0.000 0.000 0.215 381 A C 1.576 179.197 177.584 0.062 0.000 1.176 381 A CA 0.702 52.785 52.037 0.078 0.000 0.632 381 A CB -0.528 18.507 19.000 0.057 0.000 0.819 381 A HN 0.325 nan 8.150 nan 0.000 0.445 382 A N -1.057 121.786 122.820 0.038 0.000 2.552 382 A HA 0.434 4.754 4.320 -0.000 0.000 0.241 382 A C 0.930 178.536 177.584 0.038 0.000 1.103 382 A CA 1.048 53.103 52.037 0.031 0.000 0.789 382 A CB -0.674 18.337 19.000 0.018 0.000 1.050 382 A HN 1.277 nan 8.150 nan 0.000 0.515 383 T N 0.000 114.573 114.554 0.031 0.000 3.816 383 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 383 T CA 0.000 62.119 62.100 0.032 0.000 1.349 383 T CB 0.000 68.891 68.868 0.038 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658