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 3hdq_1_C DATA FIRST_RESID 28 DATA SEQUENCE KGFDYLIVGA GFAGSVLAER LASSGQRVLI VDRRPHIGGN AYDCYDDAGV DATA SEQUENCE LIHPYGPHIF HTNSKDVFEY LSRFTEWRPY QHRVLASVDG QLLPIPINLD DATA SEQUENCE TVNRLYGLNL TSFQVEEFFA SVAEKVEQVR TSEDVVVSKV GRDLYNKFFR DATA SEQUENCE GYTRKQWGLD PSELDASVTA RVPTRTNRDN RYFADTYQAM PLHGYTRMFQ DATA SEQUENCE NMLSSPNIKV MLNTDYREIA DFIPFQHMIY TGPVDAFFDF CYGKLPYRSL DATA SEQUENCE EFRHETHDTE QLLPTGTVNY PNDYAYTRVS EFKHITGQRH HQTSVVYEYP DATA SEQUENCE RAEGDPYYPV PRPENAELYK KYEALADAAQ DVTFVGRLAT YRYYNMDQVV DATA SEQUENCE AQALATFRRL Q 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.540 176.600 -0.100 0.000 0.988 28 K CA 0.000 56.245 56.287 -0.071 0.000 0.838 28 K CB 0.000 32.458 32.500 -0.069 0.000 1.064 29 G N 0.048 108.719 108.800 -0.215 0.000 2.601 29 G HA2 -0.056 3.904 3.960 0.001 0.000 0.224 29 G HA3 -0.056 3.904 3.960 0.001 0.000 0.224 29 G C -1.381 173.195 174.900 -0.540 0.000 1.171 29 G CA -0.365 44.508 45.100 -0.379 0.000 1.009 29 G HN 0.498 nan 8.290 nan 0.000 0.589 30 F N 1.501 121.514 119.950 0.106 0.000 2.520 30 F HA 0.506 5.034 4.527 0.002 0.000 0.322 30 F C 1.054 176.917 175.800 0.104 0.000 1.103 30 F CA -0.536 57.533 58.000 0.114 0.000 0.926 30 F CB 2.010 41.087 39.000 0.129 0.000 1.154 30 F HN 0.359 nan 8.300 nan 0.000 0.453 31 D N 0.978 121.531 120.400 0.254 0.000 2.104 31 D HA -0.197 4.444 4.640 0.001 0.000 0.194 31 D C -0.291 175.951 176.300 -0.096 0.000 0.994 31 D CA 2.080 56.104 54.000 0.039 0.000 0.830 31 D CB -0.114 40.742 40.800 0.093 0.000 0.959 31 D HN 0.340 nan 8.370 nan 0.000 0.452 32 Y N -0.445 120.015 120.300 0.267 0.000 2.338 32 Y HA 0.340 4.890 4.550 0.001 0.000 0.333 32 Y C -0.414 175.514 175.900 0.047 0.000 0.968 32 Y CA -1.157 57.058 58.100 0.191 0.000 1.123 32 Y CB 1.808 40.339 38.460 0.118 0.000 1.165 32 Y HN -0.227 nan 8.280 nan 0.000 0.452 33 L N 5.788 127.045 121.223 0.057 0.000 2.282 33 L HA 0.499 4.840 4.340 0.001 0.000 0.287 33 L C -0.907 175.856 176.870 -0.177 0.000 1.075 33 L CA -0.106 54.573 54.840 -0.268 0.000 0.839 33 L CB -0.388 41.159 42.059 -0.853 0.000 1.219 33 L HN 0.508 nan 8.230 nan 0.000 0.434 34 I N 5.824 126.313 120.570 -0.136 0.000 2.337 34 I HA 0.191 4.362 4.170 0.001 0.000 0.291 34 I C -0.357 175.646 176.117 -0.191 0.000 1.046 34 I CA -0.614 60.607 61.300 -0.131 0.000 1.324 34 I CB 1.223 39.155 38.000 -0.114 0.000 1.409 34 I HN 0.248 nan 8.210 nan 0.000 0.494 35 V N 6.247 126.031 119.914 -0.216 0.000 2.334 35 V HA 0.662 4.782 4.120 0.001 0.000 0.267 35 V C 0.514 176.438 176.094 -0.283 0.000 1.040 35 V CA -0.317 61.837 62.300 -0.243 0.000 0.866 35 V CB 0.402 32.056 31.823 -0.282 0.000 1.019 35 V HN 1.071 nan 8.190 nan 0.000 0.468 36 G N 4.132 112.788 108.800 -0.240 0.000 3.363 36 G HA2 0.283 4.243 3.960 0.001 0.000 0.685 36 G HA3 0.283 4.243 3.960 0.001 0.000 0.685 36 G C -0.118 174.647 174.900 -0.226 0.000 1.199 36 G CA -0.282 44.667 45.100 -0.253 0.000 0.946 36 G HN 1.306 nan 8.290 nan 0.000 0.558 37 A N 1.677 124.345 122.820 -0.253 0.000 2.610 37 A HA 0.752 5.073 4.320 0.001 0.000 0.286 37 A C 1.584 178.947 177.584 -0.367 0.000 1.306 37 A CA 1.247 53.126 52.037 -0.264 0.000 0.942 37 A CB -0.213 18.628 19.000 -0.266 0.000 1.112 37 A HN 2.086 nan 8.150 nan 0.000 0.527 38 G N -0.971 107.646 108.800 -0.306 0.000 2.468 38 G HA2 0.317 4.278 3.960 0.001 0.000 0.264 38 G HA3 0.317 4.278 3.960 0.001 0.000 0.264 38 G C 0.647 175.483 174.900 -0.106 0.000 1.460 38 G CA -0.239 44.669 45.100 -0.319 0.000 1.060 38 G HN 0.200 nan 8.290 nan 0.000 0.543 39 F N 0.795 120.829 119.950 0.140 0.000 2.113 39 F HA -0.019 4.509 4.527 0.001 0.000 0.297 39 F C 3.085 178.946 175.800 0.103 0.000 1.103 39 F CA 1.576 59.723 58.000 0.245 0.000 1.248 39 F CB -0.273 38.852 39.000 0.209 0.000 0.999 39 F HN 0.340 nan 8.300 nan 0.000 0.475 40 A N 0.438 123.394 122.820 0.226 0.000 1.859 40 A HA -0.207 4.114 4.320 0.001 0.000 0.218 40 A C 2.511 180.114 177.584 0.031 0.000 1.209 40 A CA 2.275 54.371 52.037 0.098 0.000 0.639 40 A CB -1.674 17.353 19.000 0.045 0.000 0.835 40 A HN 0.423 nan 8.150 nan 0.000 0.450 41 G N -1.496 107.290 108.800 -0.023 0.000 2.404 41 G HA2 -0.083 3.878 3.960 0.001 0.000 0.215 41 G HA3 -0.083 3.878 3.960 0.001 0.000 0.215 41 G C 1.851 176.715 174.900 -0.060 0.000 1.174 41 G CA 1.276 46.331 45.100 -0.073 0.000 0.780 41 G HN 0.488 nan 8.290 nan 0.000 0.537 42 S N -0.076 115.614 115.700 -0.017 0.000 2.370 42 S HA -0.123 4.348 4.470 0.001 0.000 0.226 42 S C 2.539 177.118 174.600 -0.034 0.000 1.033 42 S CA 1.251 59.455 58.200 0.005 0.000 1.011 42 S CB -0.241 63.074 63.200 0.192 0.000 0.852 42 S HN 0.187 nan 8.310 nan 0.000 0.457 43 V N 1.844 121.771 119.914 0.021 0.000 2.307 43 V HA -0.142 3.978 4.120 0.001 0.000 0.245 43 V C 2.205 178.226 176.094 -0.121 0.000 1.045 43 V CA 1.487 63.782 62.300 -0.007 0.000 1.024 43 V CB -0.701 31.146 31.823 0.040 0.000 0.651 43 V HN 0.386 nan 8.190 nan 0.000 0.449 44 L N 0.114 121.268 121.223 -0.115 0.000 2.012 44 L HA -0.226 4.115 4.340 0.001 0.000 0.210 44 L C 2.768 179.503 176.870 -0.225 0.000 1.073 44 L CA 1.809 56.545 54.840 -0.173 0.000 0.748 44 L CB -0.806 41.184 42.059 -0.114 0.000 0.891 44 L HN 0.371 nan 8.230 nan 0.000 0.431 45 A N -0.575 122.143 122.820 -0.171 0.000 1.892 45 A HA -0.297 4.024 4.320 0.001 0.000 0.218 45 A C 2.317 179.805 177.584 -0.160 0.000 1.188 45 A CA 2.128 54.070 52.037 -0.158 0.000 0.631 45 A CB -0.639 18.287 19.000 -0.124 0.000 0.822 45 A HN 0.472 nan 8.150 nan 0.000 0.447 46 E N -0.231 119.870 120.200 -0.165 0.000 2.077 46 E HA -0.203 4.148 4.350 0.001 0.000 0.193 46 E C 2.221 178.714 176.600 -0.178 0.000 0.989 46 E CA 0.974 57.287 56.400 -0.145 0.000 0.800 46 E CB -0.211 29.392 29.700 -0.162 0.000 0.746 46 E HN 0.477 nan 8.360 nan 0.000 0.452 47 R N 0.084 120.365 120.500 -0.365 0.000 2.057 47 R HA -0.065 4.276 4.340 0.001 0.000 0.229 47 R C 2.451 178.405 176.300 -0.578 0.000 1.136 47 R CA 0.484 56.107 56.100 -0.794 0.000 0.952 47 R CB -0.840 28.428 30.300 -1.720 0.000 0.848 47 R HN 0.232 nan 8.270 nan 0.000 0.430 48 L N 0.815 121.826 121.223 -0.354 0.000 2.042 48 L HA -0.102 4.239 4.340 0.001 0.000 0.210 48 L C 2.495 179.365 176.870 0.001 0.000 1.076 48 L CA 1.926 56.721 54.840 -0.075 0.000 0.749 48 L CB -1.634 40.281 42.059 -0.240 0.000 0.893 48 L HN 0.148 nan 8.230 nan 0.000 0.432 49 A N -0.324 122.472 122.820 -0.041 0.000 1.933 49 A HA -0.181 4.140 4.320 0.001 0.000 0.218 49 A C 2.415 180.017 177.584 0.030 0.000 1.175 49 A CA 1.852 53.897 52.037 0.014 0.000 0.628 49 A CB -0.653 18.344 19.000 -0.005 0.000 0.814 49 A HN 0.566 nan 8.150 nan 0.000 0.444 50 S N 0.086 115.790 115.700 0.007 0.000 2.515 50 S HA -0.045 4.425 4.470 0.001 0.000 0.231 50 S C 1.467 176.113 174.600 0.077 0.000 0.987 50 S CA 1.089 59.311 58.200 0.037 0.000 0.936 50 S CB -0.577 62.641 63.200 0.030 0.000 0.766 50 S HN 0.881 nan 8.310 nan 0.000 0.528 51 S N 0.209 115.974 115.700 0.108 0.000 2.622 51 S HA 0.518 4.989 4.470 0.001 0.000 0.236 51 S C 1.294 175.967 174.600 0.121 0.000 0.956 51 S CA 0.102 58.392 58.200 0.150 0.000 0.971 51 S CB -0.629 62.721 63.200 0.249 0.000 0.782 51 S HN 1.358 nan 8.310 nan 0.000 0.468 52 G N 0.885 109.744 108.800 0.097 0.000 2.153 52 G HA2 -0.221 3.740 3.960 0.001 0.000 0.252 52 G HA3 -0.221 3.740 3.960 0.001 0.000 0.252 52 G C -0.071 174.896 174.900 0.111 0.000 0.994 52 G CA 0.075 45.229 45.100 0.091 0.000 0.698 52 G HN 0.563 nan 8.290 nan 0.000 0.521 53 Q N -0.605 119.276 119.800 0.136 0.000 2.256 53 Q HA 0.518 4.859 4.340 0.001 0.000 0.232 53 Q C 0.597 176.709 176.000 0.187 0.000 0.965 53 Q CA -0.342 55.573 55.803 0.188 0.000 0.908 53 Q CB 0.876 29.771 28.738 0.262 0.000 1.209 53 Q HN 0.478 nan 8.270 nan 0.000 0.489 54 R N 0.349 120.995 120.500 0.243 0.000 2.229 54 R HA 0.454 4.795 4.340 0.001 0.000 0.332 54 R C -0.885 175.641 176.300 0.375 0.000 0.989 54 R CA -0.352 55.920 56.100 0.288 0.000 0.842 54 R CB 1.013 31.477 30.300 0.273 0.000 1.119 54 R HN 0.216 nan 8.270 nan 0.000 0.456 55 V N 5.080 125.144 119.914 0.251 0.000 2.384 55 V HA 0.283 4.404 4.120 0.001 0.000 0.287 55 V C -0.671 175.317 176.094 -0.176 0.000 1.020 55 V CA -0.907 61.451 62.300 0.097 0.000 0.850 55 V CB 1.652 33.487 31.823 0.020 0.000 0.987 55 V HN 0.493 nan 8.190 nan 0.000 0.436 56 L N 6.768 127.693 121.223 -0.497 0.000 2.264 56 L HA 0.600 4.941 4.340 0.001 0.000 0.287 56 L C -0.516 176.124 176.870 -0.384 0.000 1.039 56 L CA 0.165 54.547 54.840 -0.763 0.000 0.829 56 L CB 0.817 42.057 42.059 -1.365 0.000 1.211 56 L HN 0.672 nan 8.230 nan 0.000 0.427 57 I N 5.427 125.832 120.570 -0.276 0.000 2.336 57 I HA 0.469 4.640 4.170 0.001 0.000 0.292 57 I C -1.085 174.911 176.117 -0.203 0.000 0.991 57 I CA -0.487 60.688 61.300 -0.210 0.000 1.227 57 I CB 1.475 39.376 38.000 -0.165 0.000 1.366 57 I HN 0.446 nan 8.210 nan 0.000 0.466 58 V N 7.577 127.374 119.914 -0.195 0.000 2.628 58 V HA 0.577 4.698 4.120 0.001 0.000 0.306 58 V C -0.952 175.044 176.094 -0.164 0.000 1.045 58 V CA -0.305 61.895 62.300 -0.167 0.000 0.905 58 V CB 2.041 33.777 31.823 -0.145 0.000 0.997 58 V HN 0.733 nan 8.190 nan 0.000 0.436 59 D N 3.056 123.357 120.400 -0.166 0.000 2.859 59 D HA 0.311 4.952 4.640 0.001 0.000 0.223 59 D C 0.508 176.702 176.300 -0.176 0.000 1.218 59 D CA -0.553 53.331 54.000 -0.193 0.000 0.850 59 D CB 2.288 42.929 40.800 -0.266 0.000 1.656 59 D HN 0.651 nan 8.370 nan 0.000 0.484 60 R N 1.715 122.118 120.500 -0.162 0.000 2.307 60 R HA 0.166 4.507 4.340 0.001 0.000 0.199 60 R C 0.431 176.619 176.300 -0.186 0.000 1.000 60 R CA 0.104 56.121 56.100 -0.139 0.000 1.023 60 R CB 0.355 30.596 30.300 -0.099 0.000 0.908 60 R HN 0.056 nan 8.270 nan 0.000 0.473 61 R N 1.411 121.737 120.500 -0.290 0.000 2.528 61 R HA 0.185 4.526 4.340 0.001 0.000 0.271 61 R C -1.898 174.156 176.300 -0.409 0.000 1.056 61 R CA -2.116 53.737 56.100 -0.412 0.000 1.117 61 R CB 0.746 30.608 30.300 -0.729 0.000 1.085 61 R HN -0.024 nan 8.270 nan 0.000 0.530 62 P HA 0.019 nan 4.420 nan 0.000 0.253 62 P C -1.201 175.978 177.300 -0.202 0.000 1.281 62 P CA 0.557 63.537 63.100 -0.199 0.000 0.792 62 P CB -0.016 31.633 31.700 -0.085 0.000 1.193 63 H N -1.877 117.014 119.070 -0.299 0.000 3.008 63 H HA 0.558 5.114 4.556 0.001 0.000 0.354 63 H C 0.029 175.132 175.328 -0.375 0.000 1.252 63 H CA -1.498 54.312 56.048 -0.397 0.000 1.117 63 H CB 0.222 29.461 29.762 -0.873 0.000 1.857 63 H HN -0.174 nan 8.280 nan 0.000 0.547 64 I N -1.502 118.997 120.570 -0.117 0.000 3.156 64 I HA 0.667 4.838 4.170 0.001 0.000 0.306 64 I C 1.112 177.087 176.117 -0.237 0.000 1.048 64 I CA -0.178 60.996 61.300 -0.210 0.000 1.207 64 I CB 0.800 38.687 38.000 -0.189 0.000 1.456 64 I HN 1.100 nan 8.210 nan 0.000 0.616 65 G N 0.698 109.069 108.800 -0.715 0.000 2.213 65 G HA2 0.008 3.969 3.960 0.001 0.000 0.226 65 G HA3 0.008 3.969 3.960 0.001 0.000 0.226 65 G C 0.883 175.329 174.900 -0.757 0.000 0.992 65 G CA 0.087 44.445 45.100 -1.237 0.000 0.632 65 G HN 2.040 nan 8.290 nan 0.000 0.511 66 G N 0.868 109.410 108.800 -0.431 0.000 2.614 66 G HA2 -0.359 3.602 3.960 0.001 0.000 0.303 66 G HA3 -0.359 3.602 3.960 0.001 0.000 0.303 66 G C 0.802 175.547 174.900 -0.258 0.000 1.270 66 G CA 1.023 45.932 45.100 -0.319 0.000 0.988 66 G HN 1.139 nan 8.290 nan 0.000 0.551 67 N N 1.116 119.671 118.700 -0.242 0.000 2.453 67 N HA 0.172 4.913 4.740 0.001 0.000 0.183 67 N C 2.068 177.320 175.510 -0.430 0.000 1.041 67 N CA 1.556 54.494 53.050 -0.186 0.000 0.900 67 N CB -0.336 38.208 38.487 0.096 0.000 0.961 67 N HN 0.929 nan 8.380 nan 0.000 0.443 68 A N -0.525 121.992 122.820 -0.504 0.000 2.275 68 A HA 0.018 4.339 4.320 0.001 0.000 0.212 68 A C 0.274 177.572 177.584 -0.475 0.000 1.201 68 A CA -0.454 51.126 52.037 -0.762 0.000 0.843 68 A CB -0.624 18.083 19.000 -0.489 0.000 0.873 68 A HN 0.330 nan 8.150 nan 0.000 0.492 69 Y N 2.637 122.723 120.300 -0.356 0.000 2.620 69 Y HA 0.304 4.855 4.550 0.001 0.000 0.330 69 Y C -0.136 175.611 175.900 -0.254 0.000 1.186 69 Y CA -0.559 57.371 58.100 -0.284 0.000 1.467 69 Y CB 0.302 38.569 38.460 -0.322 0.000 1.262 69 Y HN 0.497 nan 8.280 nan 0.000 0.550 70 D N 4.794 124.727 120.400 -0.778 0.000 2.450 70 D HA 0.615 5.256 4.640 0.001 0.000 0.238 70 D C -0.961 174.744 176.300 -0.993 0.000 1.020 70 D CA -0.550 53.023 54.000 -0.711 0.000 1.010 70 D CB 1.278 41.945 40.800 -0.222 0.000 1.342 70 D HN 0.785 nan 8.370 nan 0.000 0.530 71 C N -2.357 116.514 119.300 -0.714 0.000 3.292 71 C HA 0.607 5.068 4.460 0.001 0.000 0.338 71 C C -1.556 173.141 174.990 -0.488 0.000 1.323 71 C CA -1.199 57.502 59.018 -0.529 0.000 1.232 71 C CB -0.271 27.200 27.740 -0.447 0.000 1.517 71 C HN 0.611 nan 8.230 nan 0.000 0.470 72 Y N 2.396 122.567 120.300 -0.214 0.000 2.336 72 Y HA 0.449 5.000 4.550 0.001 0.000 0.335 72 Y C 1.100 176.900 175.900 -0.166 0.000 1.046 72 Y CA 0.719 58.715 58.100 -0.173 0.000 1.198 72 Y CB 0.766 39.161 38.460 -0.108 0.000 1.182 72 Y HN 0.859 nan 8.280 nan 0.000 0.502 73 D N 0.251 120.599 120.400 -0.086 0.000 2.447 73 D HA -0.005 4.636 4.640 0.001 0.000 0.265 73 D C 0.381 176.665 176.300 -0.027 0.000 1.250 73 D CA -0.342 53.596 54.000 -0.103 0.000 1.046 73 D CB 0.490 41.189 40.800 -0.168 0.000 1.095 73 D HN 0.414 nan 8.370 nan 0.000 0.555 74 D N -0.857 119.522 120.400 -0.034 0.000 2.265 74 D HA -0.078 4.563 4.640 0.001 0.000 0.208 74 D C 1.336 177.650 176.300 0.022 0.000 0.977 74 D CA 1.549 55.547 54.000 -0.004 0.000 0.871 74 D CB -0.272 40.522 40.800 -0.010 0.000 0.925 74 D HN 0.531 nan 8.370 nan 0.000 0.485 75 A N -0.832 121.997 122.820 0.014 0.000 2.308 75 A HA 0.499 4.820 4.320 0.001 0.000 0.217 75 A C 1.651 179.316 177.584 0.135 0.000 1.216 75 A CA 0.719 52.792 52.037 0.060 0.000 0.864 75 A CB 0.147 19.151 19.000 0.006 0.000 0.902 75 A HN 0.183 nan 8.150 nan 0.000 0.499 76 G N -1.224 107.642 108.800 0.110 0.000 2.141 76 G HA2 -0.176 3.785 3.960 0.001 0.000 0.242 76 G HA3 -0.176 3.785 3.960 0.001 0.000 0.242 76 G C 0.059 175.080 174.900 0.201 0.000 0.982 76 G CA 0.114 45.342 45.100 0.212 0.000 0.662 76 G HN 0.796 nan 8.290 nan 0.000 0.527 77 V N 1.193 121.063 119.914 -0.073 0.000 2.481 77 V HA 0.611 4.732 4.120 0.001 0.000 0.286 77 V C 0.717 176.636 176.094 -0.293 0.000 1.042 77 V CA -0.822 61.341 62.300 -0.229 0.000 0.928 77 V CB 1.692 33.296 31.823 -0.366 0.000 0.986 77 V HN 0.443 nan 8.190 nan 0.000 0.462 78 L N 7.755 128.710 121.223 -0.446 0.000 2.385 78 L HA 0.495 4.836 4.340 0.001 0.000 0.281 78 L C -0.238 176.242 176.870 -0.650 0.000 1.106 78 L CA 0.653 55.023 54.840 -0.782 0.000 0.856 78 L CB -0.223 41.385 42.059 -0.752 0.000 1.186 78 L HN 0.650 nan 8.230 nan 0.000 0.453 79 I N 0.814 120.909 120.570 -0.791 0.000 3.108 79 I HA 0.538 4.709 4.170 0.001 0.000 0.312 79 I C -0.927 174.585 176.117 -1.008 0.000 1.095 79 I CA -0.806 59.691 61.300 -1.337 0.000 1.000 79 I CB 2.031 39.418 38.000 -1.022 0.000 1.229 79 I HN 0.539 nan 8.210 nan 0.000 0.454 80 H N 2.272 120.526 119.070 -1.361 0.000 2.661 80 H HA 0.305 4.862 4.556 0.002 0.000 0.290 80 H C -2.111 173.013 175.328 -0.342 0.000 1.082 80 H CA -1.946 53.795 56.048 -0.512 0.000 1.234 80 H CB 1.022 30.765 29.762 -0.032 0.000 1.387 80 H HN 0.451 nan 8.280 nan 0.000 0.476 81 P HA -0.194 nan 4.420 nan 0.000 0.218 81 P C 0.008 176.883 177.300 -0.708 0.000 1.148 81 P CA 1.387 64.180 63.100 -0.511 0.000 0.822 81 P CB 0.092 31.362 31.700 -0.716 0.000 0.784 82 Y N -0.877 119.267 120.300 -0.261 0.000 2.683 82 Y HA 0.508 5.059 4.550 0.001 0.000 0.297 82 Y C 1.191 176.826 175.900 -0.442 0.000 1.147 82 Y CA -0.192 57.671 58.100 -0.394 0.000 1.274 82 Y CB -0.130 38.413 38.460 0.139 0.000 1.143 82 Y HN -0.093 nan 8.280 nan 0.000 0.527 83 G N 1.498 110.037 108.800 -0.435 0.000 2.784 83 G HA2 -0.144 3.817 3.960 0.001 0.000 0.686 83 G HA3 -0.144 3.817 3.960 0.001 0.000 0.686 83 G C -3.054 172.112 174.900 0.443 0.000 1.156 83 G CA -1.583 43.554 45.100 0.062 0.000 0.757 83 G HN -0.032 nan 8.290 nan 0.000 0.642 84 P HA 0.078 nan 4.420 nan 0.000 0.260 84 P C -0.472 177.100 177.300 0.453 0.000 1.185 84 P CA 0.668 64.090 63.100 0.536 0.000 0.763 84 P CB 0.139 31.910 31.700 0.118 0.000 0.776 85 H N 3.123 122.539 119.070 0.577 0.000 2.595 85 H HA 0.437 4.994 4.556 0.001 0.000 0.313 85 H C 0.040 175.636 175.328 0.448 0.000 1.023 85 H CA -0.423 55.800 56.048 0.291 0.000 1.218 85 H CB 0.292 30.008 29.762 -0.077 0.000 1.403 85 H HN 0.269 nan 8.280 nan 0.000 0.477 86 I N 3.844 124.686 120.570 0.452 0.000 2.321 86 I HA 0.107 4.278 4.170 0.001 0.000 0.291 86 I C -0.331 176.103 176.117 0.529 0.000 0.998 86 I CA -0.461 61.136 61.300 0.496 0.000 1.227 86 I CB 0.403 38.622 38.000 0.365 0.000 1.368 86 I HN 0.421 nan 8.210 nan 0.000 0.466 87 F N 7.682 127.907 119.950 0.458 0.000 2.410 87 F HA 0.524 5.052 4.527 0.001 0.000 0.348 87 F C 0.024 175.938 175.800 0.189 0.000 1.106 87 F CA 0.055 58.241 58.000 0.310 0.000 1.163 87 F CB 0.211 39.466 39.000 0.426 0.000 1.129 87 F HN 0.662 nan 8.300 nan 0.000 0.516 88 H N 1.398 119.746 119.070 -1.202 0.000 3.085 88 H HA 0.625 5.182 4.556 0.002 0.000 0.356 88 H C -1.332 173.404 175.328 -0.987 0.000 1.178 88 H CA -0.987 54.499 56.048 -0.937 0.000 1.214 88 H CB 1.741 30.940 29.762 -0.939 0.000 1.881 88 H HN 0.609 nan 8.280 nan 0.000 0.538 89 T N 1.027 115.266 114.554 -0.524 0.000 2.886 89 T HA 0.234 4.585 4.350 0.001 0.000 0.330 89 T C -0.401 174.296 174.700 -0.006 0.000 1.488 89 T CA -0.744 61.191 62.100 -0.276 0.000 1.054 89 T CB 1.308 70.068 68.868 -0.180 0.000 1.348 89 T HN 0.764 nan 8.240 nan 0.000 0.489 90 N N 0.903 119.621 118.700 0.029 0.000 2.388 90 N HA 0.073 4.814 4.740 0.001 0.000 0.176 90 N C 0.594 176.233 175.510 0.215 0.000 1.062 90 N CA 0.157 53.258 53.050 0.085 0.000 0.895 90 N CB 0.441 38.939 38.487 0.018 0.000 1.018 90 N HN 0.501 nan 8.380 nan 0.000 0.456 91 S N 1.536 117.326 115.700 0.150 0.000 2.443 91 S HA 0.054 4.525 4.470 0.001 0.000 0.284 91 S C 1.311 175.973 174.600 0.104 0.000 1.206 91 S CA -0.380 57.897 58.200 0.127 0.000 1.074 91 S CB 0.800 64.046 63.200 0.076 0.000 0.963 91 S HN 0.142 nan 8.310 nan 0.000 0.501 92 K N 3.805 124.272 120.400 0.111 0.000 2.097 92 K HA -0.150 4.171 4.320 0.001 0.000 0.206 92 K C 0.803 177.396 176.600 -0.012 0.000 1.049 92 K CA 1.779 58.032 56.287 -0.055 0.000 0.933 92 K CB -0.147 32.403 32.500 0.083 0.000 0.717 92 K HN 0.661 nan 8.250 nan 0.000 0.442 93 D N 0.407 120.836 120.400 0.048 0.000 2.084 93 D HA -0.142 4.499 4.640 0.001 0.000 0.194 93 D C 2.036 178.399 176.300 0.105 0.000 0.990 93 D CA 1.138 55.177 54.000 0.065 0.000 0.826 93 D CB -0.338 40.495 40.800 0.055 0.000 0.971 93 D HN 0.012 nan 8.370 nan 0.000 0.453 94 V N 0.953 120.937 119.914 0.116 0.000 2.287 94 V HA -0.256 3.865 4.120 0.001 0.000 0.248 94 V C 2.247 178.483 176.094 0.236 0.000 1.053 94 V CA 1.490 63.903 62.300 0.187 0.000 1.027 94 V CB -0.616 31.317 31.823 0.182 0.000 0.646 94 V HN 0.127 nan 8.190 nan 0.000 0.447 95 F N 0.826 120.772 119.950 -0.007 0.000 2.171 95 F HA -0.183 4.345 4.527 0.002 0.000 0.300 95 F C 2.447 178.222 175.800 -0.041 0.000 1.090 95 F CA 2.013 59.945 58.000 -0.113 0.000 1.293 95 F CB 0.001 38.639 39.000 -0.604 0.000 1.013 95 F HN 0.219 nan 8.300 nan 0.000 0.486 96 E N -1.111 119.031 120.200 -0.096 0.000 2.112 96 E HA -0.226 4.125 4.350 0.001 0.000 0.190 96 E C 1.882 178.426 176.600 -0.094 0.000 0.979 96 E CA 1.071 57.399 56.400 -0.119 0.000 0.814 96 E CB -0.517 29.171 29.700 -0.020 0.000 0.762 96 E HN 0.589 nan 8.360 nan 0.000 0.460 97 Y N 1.706 121.954 120.300 -0.087 0.000 2.097 97 Y HA -0.257 4.294 4.550 0.001 0.000 0.282 97 Y C 1.924 177.773 175.900 -0.085 0.000 1.152 97 Y CA 1.336 59.399 58.100 -0.062 0.000 1.136 97 Y CB -0.261 38.219 38.460 0.032 0.000 0.975 97 Y HN -0.051 nan 8.280 nan 0.000 0.498 98 L N -0.054 121.073 121.223 -0.161 0.000 2.191 98 L HA -0.165 4.176 4.340 0.001 0.000 0.212 98 L C 2.487 179.154 176.870 -0.339 0.000 1.103 98 L CA 1.769 56.497 54.840 -0.187 0.000 0.769 98 L CB -1.274 40.783 42.059 -0.003 0.000 0.908 98 L HN 0.174 nan 8.230 nan 0.000 0.438 99 S N -0.789 114.732 115.700 -0.298 0.000 2.442 99 S HA -0.139 4.331 4.470 0.001 0.000 0.236 99 S C 1.983 176.304 174.600 -0.465 0.000 1.007 99 S CA 0.654 58.676 58.200 -0.298 0.000 0.965 99 S CB -0.242 62.867 63.200 -0.152 0.000 0.773 99 S HN 0.438 nan 8.310 nan 0.000 0.504 100 R N 0.106 120.179 120.500 -0.712 0.000 2.127 100 R HA -0.078 4.263 4.340 0.001 0.000 0.238 100 R C 0.966 176.650 176.300 -1.026 0.000 1.134 100 R CA 1.368 56.853 56.100 -1.026 0.000 0.975 100 R CB -0.358 28.977 30.300 -1.608 0.000 0.865 100 R HN 0.491 nan 8.270 nan 0.000 0.447 101 F N -1.308 118.392 119.950 -0.418 0.000 2.682 101 F HA 0.267 4.795 4.527 0.001 0.000 0.308 101 F C 0.558 176.109 175.800 -0.415 0.000 1.093 101 F CA -0.292 57.475 58.000 -0.389 0.000 1.244 101 F CB 1.128 39.870 39.000 -0.431 0.000 1.052 101 F HN -0.206 nan 8.300 nan 0.000 0.573 102 T N -0.115 114.188 114.554 -0.419 0.000 2.957 102 T HA 0.237 4.588 4.350 0.001 0.000 0.336 102 T C -1.051 173.216 174.700 -0.722 0.000 1.462 102 T CA -0.598 61.165 62.100 -0.561 0.000 1.073 102 T CB 1.508 69.922 68.868 -0.756 0.000 1.319 102 T HN 0.014 nan 8.240 nan 0.000 0.485 103 E N 1.231 121.100 120.200 -0.551 0.000 2.312 103 E HA 0.462 4.813 4.350 0.001 0.000 0.259 103 E C -1.024 175.220 176.600 -0.594 0.000 1.122 103 E CA -0.539 55.581 56.400 -0.466 0.000 0.922 103 E CB 1.046 30.617 29.700 -0.214 0.000 1.109 103 E HN 0.483 nan 8.360 nan 0.000 0.442 104 W N 0.759 122.015 121.300 -0.073 0.000 2.702 104 W HA 0.352 5.013 4.660 0.001 0.000 0.331 104 W C -0.108 176.421 176.519 0.017 0.000 1.049 104 W CA -0.806 56.536 57.345 -0.006 0.000 1.230 104 W CB 1.211 30.746 29.460 0.124 0.000 1.408 104 W HN 0.142 nan 8.180 nan 0.000 0.492 105 R N 4.161 124.834 120.500 0.288 0.000 2.215 105 R HA 0.367 4.708 4.340 0.001 0.000 0.337 105 R C -2.495 173.984 176.300 0.299 0.000 1.010 105 R CA -1.733 54.496 56.100 0.216 0.000 0.871 105 R CB 0.778 31.148 30.300 0.117 0.000 1.134 105 R HN 0.121 nan 8.270 nan 0.000 0.477 106 P HA -0.085 nan 4.420 nan 0.000 0.264 106 P C -1.584 175.913 177.300 0.328 0.000 1.183 106 P CA 0.512 63.761 63.100 0.248 0.000 0.763 106 P CB 0.124 31.922 31.700 0.164 0.000 0.807 107 Y N 1.426 121.824 120.300 0.163 0.000 2.376 107 Y HA 0.280 4.830 4.550 0.001 0.000 0.321 107 Y C -1.414 174.598 175.900 0.187 0.000 1.189 107 Y CA -0.526 57.681 58.100 0.179 0.000 1.069 107 Y CB 1.613 40.205 38.460 0.219 0.000 1.292 107 Y HN 0.296 nan 8.280 nan 0.000 0.430 108 Q N 4.981 124.534 119.800 -0.411 0.000 2.381 108 Q HA 0.228 4.569 4.340 0.001 0.000 0.263 108 Q C -1.212 174.445 176.000 -0.573 0.000 1.030 108 Q CA -0.977 54.633 55.803 -0.321 0.000 0.772 108 Q CB 1.057 29.713 28.738 -0.137 0.000 1.232 108 Q HN 0.652 nan 8.270 nan 0.000 0.476 109 H N 2.527 121.261 119.070 -0.560 0.000 3.001 109 H HA 0.094 4.651 4.556 0.002 0.000 0.334 109 H C -0.651 174.555 175.328 -0.203 0.000 1.034 109 H CA 0.912 56.756 56.048 -0.341 0.000 1.420 109 H CB 0.443 30.275 29.762 0.118 0.000 1.405 109 H HN 0.420 nan 8.280 nan 0.000 0.593 110 R N 3.442 123.655 120.500 -0.478 0.000 2.513 110 R HA 0.459 4.800 4.340 0.001 0.000 0.301 110 R C -1.301 174.674 176.300 -0.542 0.000 0.968 110 R CA -0.984 54.880 56.100 -0.392 0.000 0.872 110 R CB 1.992 32.154 30.300 -0.231 0.000 1.177 110 R HN 0.306 nan 8.270 nan 0.000 0.444 111 V N 4.242 123.908 119.914 -0.414 0.000 2.581 111 V HA 0.463 4.583 4.120 0.001 0.000 0.303 111 V C -0.737 175.221 176.094 -0.226 0.000 1.041 111 V CA -0.924 61.139 62.300 -0.395 0.000 0.907 111 V CB 1.860 33.390 31.823 -0.487 0.000 0.994 111 V HN 0.437 nan 8.190 nan 0.000 0.442 112 L N 3.415 124.507 121.223 -0.219 0.000 2.346 112 L HA 0.830 5.171 4.340 0.001 0.000 0.276 112 L C 0.232 176.999 176.870 -0.172 0.000 1.006 112 L CA -0.526 54.217 54.840 -0.163 0.000 0.817 112 L CB 1.557 43.520 42.059 -0.160 0.000 1.272 112 L HN 0.813 nan 8.230 nan 0.000 0.421 113 A N 1.821 124.575 122.820 -0.111 0.000 2.305 113 A HA 0.627 4.948 4.320 0.001 0.000 0.322 113 A C -0.100 177.368 177.584 -0.194 0.000 1.187 113 A CA -0.416 51.538 52.037 -0.138 0.000 0.825 113 A CB 0.938 19.941 19.000 0.004 0.000 1.164 113 A HN 0.633 nan 8.150 nan 0.000 0.498 114 S N 2.119 117.622 115.700 -0.329 0.000 2.400 114 S HA 0.516 4.987 4.470 0.001 0.000 0.295 114 S C -0.654 173.807 174.600 -0.231 0.000 1.113 114 S CA -0.323 57.700 58.200 -0.295 0.000 1.064 114 S CB -0.549 62.373 63.200 -0.464 0.000 0.990 114 S HN 0.739 nan 8.310 nan 0.000 0.502 115 V N 4.812 124.593 119.914 -0.221 0.000 2.686 115 V HA 0.389 4.510 4.120 0.001 0.000 0.306 115 V C -0.556 175.429 176.094 -0.182 0.000 1.065 115 V CA -0.878 61.253 62.300 -0.282 0.000 0.894 115 V CB 1.811 33.300 31.823 -0.556 0.000 1.004 115 V HN 0.880 nan 8.190 nan 0.000 0.424 116 D N 3.618 123.931 120.400 -0.145 0.000 2.701 116 D HA -0.180 4.461 4.640 0.001 0.000 0.235 116 D C 1.342 177.603 176.300 -0.064 0.000 1.155 116 D CA 1.950 55.894 54.000 -0.093 0.000 0.649 116 D CB -1.074 39.670 40.800 -0.094 0.000 1.050 116 D HN 1.559 nan 8.370 nan 0.000 0.425 117 G N -0.713 108.055 108.800 -0.052 0.000 2.166 117 G HA2 -0.361 3.600 3.960 0.001 0.000 0.260 117 G HA3 -0.361 3.600 3.960 0.001 0.000 0.260 117 G C 0.233 175.115 174.900 -0.031 0.000 0.986 117 G CA 0.991 46.076 45.100 -0.025 0.000 0.683 117 G HN 0.555 nan 8.290 nan 0.000 0.527 118 Q N -1.295 118.472 119.800 -0.055 0.000 2.416 118 Q HA 0.780 5.121 4.340 0.001 0.000 0.279 118 Q C -0.183 175.775 176.000 -0.072 0.000 1.101 118 Q CA -0.987 54.784 55.803 -0.053 0.000 0.830 118 Q CB 1.876 30.583 28.738 -0.051 0.000 1.402 118 Q HN 0.230 nan 8.270 nan 0.000 0.445 119 L N 2.214 123.398 121.223 -0.064 0.000 2.277 119 L HA 0.422 4.763 4.340 0.001 0.000 0.284 119 L C -1.276 175.561 176.870 -0.056 0.000 1.028 119 L CA -0.667 54.124 54.840 -0.081 0.000 0.835 119 L CB 0.553 42.560 42.059 -0.086 0.000 1.215 119 L HN 0.255 nan 8.230 nan 0.000 0.425 120 L N 4.867 126.073 121.223 -0.028 0.000 2.342 120 L HA 0.638 4.979 4.340 0.001 0.000 0.271 120 L C -2.258 174.606 176.870 -0.010 0.000 1.008 120 L CA -2.571 52.275 54.840 0.009 0.000 0.818 120 L CB 1.475 43.602 42.059 0.114 0.000 1.296 120 L HN 0.219 nan 8.230 nan 0.000 0.427 121 P HA 0.266 nan 4.420 nan 0.000 0.267 121 P C -0.791 176.432 177.300 -0.127 0.000 1.205 121 P CA 0.057 63.101 63.100 -0.094 0.000 0.765 121 P CB 0.726 32.364 31.700 -0.105 0.000 0.828 122 I N 4.938 125.438 120.570 -0.117 0.000 2.498 122 I HA 0.493 4.664 4.170 0.001 0.000 0.290 122 I C -2.668 173.375 176.117 -0.122 0.000 1.032 122 I CA -3.430 57.777 61.300 -0.156 0.000 1.073 122 I CB 1.939 39.870 38.000 -0.116 0.000 1.251 122 I HN 0.180 nan 8.210 nan 0.000 0.426 123 P HA 0.086 nan 4.420 nan 0.000 0.264 123 P C -0.444 176.715 177.300 -0.234 0.000 1.179 123 P CA 0.296 63.242 63.100 -0.256 0.000 0.763 123 P CB 0.226 31.762 31.700 -0.274 0.000 0.806 124 I N 2.980 123.388 120.570 -0.269 0.000 2.752 124 I HA -0.076 4.095 4.170 0.001 0.000 0.289 124 I C 1.196 177.240 176.117 -0.123 0.000 1.197 124 I CA 0.836 61.960 61.300 -0.294 0.000 1.432 124 I CB -0.175 37.637 38.000 -0.314 0.000 1.359 124 I HN 0.548 nan 8.210 nan 0.000 0.571 125 N N 5.778 124.427 118.700 -0.085 0.000 3.229 125 N HA 0.261 5.002 4.740 0.001 0.000 0.315 125 N C 0.371 175.873 175.510 -0.014 0.000 1.520 125 N CA -0.888 52.149 53.050 -0.023 0.000 0.769 125 N CB 0.516 38.961 38.487 -0.071 0.000 1.766 125 N HN 0.428 nan 8.380 nan 0.000 0.618 126 L N -0.157 121.038 121.223 -0.046 0.000 2.013 126 L HA -0.190 4.151 4.340 0.001 0.000 0.212 126 L C 0.685 177.496 176.870 -0.098 0.000 1.073 126 L CA 2.225 57.009 54.840 -0.093 0.000 0.753 126 L CB -0.430 41.561 42.059 -0.113 0.000 0.890 126 L HN 0.537 nan 8.230 nan 0.000 0.432 127 D N -1.151 119.198 120.400 -0.086 0.000 2.178 127 D HA -0.130 4.511 4.640 0.001 0.000 0.202 127 D C 1.992 178.245 176.300 -0.078 0.000 0.974 127 D CA 1.536 55.487 54.000 -0.080 0.000 0.841 127 D CB -0.044 40.712 40.800 -0.073 0.000 0.953 127 D HN 0.405 nan 8.370 nan 0.000 0.478 128 T N 0.960 115.464 114.554 -0.083 0.000 2.674 128 T HA -0.101 4.250 4.350 0.001 0.000 0.265 128 T C 2.358 177.008 174.700 -0.083 0.000 1.039 128 T CA 0.878 62.927 62.100 -0.086 0.000 1.150 128 T CB -0.398 68.369 68.868 -0.168 0.000 0.864 128 T HN -0.021 nan 8.240 nan 0.000 0.427 129 V N 2.441 122.310 119.914 -0.075 0.000 2.261 129 V HA -0.181 3.940 4.120 0.001 0.000 0.246 129 V C 2.518 178.545 176.094 -0.112 0.000 1.047 129 V CA 1.602 63.852 62.300 -0.083 0.000 1.015 129 V CB -0.703 31.043 31.823 -0.128 0.000 0.642 129 V HN 0.402 nan 8.190 nan 0.000 0.446 130 N N 0.361 118.987 118.700 -0.123 0.000 2.069 130 N HA -0.153 4.588 4.740 0.001 0.000 0.191 130 N C 1.985 177.456 175.510 -0.065 0.000 1.031 130 N CA 1.559 54.550 53.050 -0.099 0.000 0.852 130 N CB -0.362 38.066 38.487 -0.098 0.000 1.018 130 N HN 0.477 nan 8.380 nan 0.000 0.423 131 R N 0.045 120.503 120.500 -0.070 0.000 2.090 131 R HA -0.008 4.333 4.340 0.001 0.000 0.228 131 R C 2.075 178.332 176.300 -0.071 0.000 1.110 131 R CA 0.523 56.589 56.100 -0.057 0.000 0.973 131 R CB -0.402 29.867 30.300 -0.051 0.000 0.869 131 R HN 0.140 nan 8.270 nan 0.000 0.440 132 L N -0.438 120.707 121.223 -0.131 0.000 2.056 132 L HA -0.139 4.202 4.340 0.001 0.000 0.207 132 L C 1.202 177.939 176.870 -0.222 0.000 1.078 132 L CA 1.775 56.475 54.840 -0.233 0.000 0.749 132 L CB -0.080 41.738 42.059 -0.402 0.000 0.901 132 L HN 0.086 nan 8.230 nan 0.000 0.433 133 Y N -0.500 119.794 120.300 -0.010 0.000 2.444 133 Y HA 0.449 5.000 4.550 0.001 0.000 0.249 133 Y C 1.740 177.620 175.900 -0.032 0.000 1.134 133 Y CA -0.246 57.844 58.100 -0.015 0.000 1.261 133 Y CB -0.028 38.405 38.460 -0.044 0.000 1.143 133 Y HN 0.185 nan 8.280 nan 0.000 0.523 134 G N 0.824 109.671 108.800 0.079 0.000 2.160 134 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 134 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 134 G C 0.013 174.920 174.900 0.011 0.000 1.022 134 G CA 0.140 45.261 45.100 0.034 0.000 0.741 134 G HN 0.256 nan 8.290 nan 0.000 0.508 135 L N -0.549 120.669 121.223 -0.007 0.000 2.469 135 L HA 0.515 4.856 4.340 0.001 0.000 0.253 135 L C 0.991 177.822 176.870 -0.065 0.000 1.143 135 L CA -0.860 53.946 54.840 -0.057 0.000 0.804 135 L CB 0.612 42.587 42.059 -0.139 0.000 1.214 135 L HN 0.081 nan 8.230 nan 0.000 0.476 136 N N 1.196 119.853 118.700 -0.071 0.000 2.517 136 N HA 0.267 5.008 4.740 0.001 0.000 0.285 136 N C -0.765 174.704 175.510 -0.068 0.000 1.528 136 N CA -0.121 52.892 53.050 -0.061 0.000 0.892 136 N CB 0.684 39.149 38.487 -0.037 0.000 1.356 136 N HN 0.370 nan 8.380 nan 0.000 0.495 137 L N 1.320 122.479 121.223 -0.107 0.000 2.506 137 L HA 0.057 4.398 4.340 0.001 0.000 0.281 137 L C 1.611 178.430 176.870 -0.084 0.000 1.228 137 L CA 0.355 55.132 54.840 -0.105 0.000 0.850 137 L CB 0.039 41.989 42.059 -0.180 0.000 1.110 137 L HN 0.158 nan 8.230 nan 0.000 0.496 138 T N -1.567 112.960 114.554 -0.044 0.000 2.824 138 T HA 0.142 4.493 4.350 0.001 0.000 0.277 138 T C 1.137 175.760 174.700 -0.128 0.000 0.975 138 T CA -0.512 61.560 62.100 -0.046 0.000 0.966 138 T CB 1.426 70.343 68.868 0.082 0.000 1.054 138 T HN 0.517 nan 8.240 nan 0.000 0.533 139 S N -0.106 115.431 115.700 -0.271 0.000 2.370 139 S HA -0.023 4.447 4.470 0.001 0.000 0.226 139 S C 1.551 175.947 174.600 -0.339 0.000 1.033 139 S CA 1.196 59.168 58.200 -0.379 0.000 1.011 139 S CB -0.794 62.060 63.200 -0.577 0.000 0.852 139 S HN 0.642 nan 8.310 nan 0.000 0.457 140 F N 1.651 121.583 119.950 -0.031 0.000 2.171 140 F HA -0.074 4.454 4.527 0.001 0.000 0.300 140 F C 2.567 178.352 175.800 -0.025 0.000 1.090 140 F CA 0.844 58.831 58.000 -0.021 0.000 1.293 140 F CB -0.730 38.259 39.000 -0.018 0.000 1.013 140 F HN 0.212 nan 8.300 nan 0.000 0.486 141 Q N -0.372 119.497 119.800 0.116 0.000 2.245 141 Q HA -0.086 4.255 4.340 0.001 0.000 0.201 141 Q C 2.435 178.427 176.000 -0.014 0.000 0.955 141 Q CA 0.936 56.770 55.803 0.051 0.000 0.870 141 Q CB -0.375 28.380 28.738 0.029 0.000 0.945 141 Q HN 0.343 nan 8.270 nan 0.000 0.461 142 V N 0.920 120.774 119.914 -0.100 0.000 2.594 142 V HA -0.271 3.849 4.120 0.001 0.000 0.253 142 V C 1.945 177.883 176.094 -0.260 0.000 1.069 142 V CA 1.977 64.124 62.300 -0.255 0.000 1.082 142 V CB -0.065 31.548 31.823 -0.350 0.000 0.680 142 V HN 0.364 nan 8.190 nan 0.000 0.469 143 E N -0.182 119.987 120.200 -0.051 0.000 2.106 143 E HA -0.217 4.134 4.350 0.001 0.000 0.192 143 E C 2.121 178.777 176.600 0.092 0.000 0.984 143 E CA 1.557 58.009 56.400 0.085 0.000 0.806 143 E CB -0.063 29.700 29.700 0.104 0.000 0.750 143 E HN 0.805 nan 8.360 nan 0.000 0.458 144 E N -0.117 120.118 120.200 0.058 0.000 2.072 144 E HA -0.192 4.158 4.350 0.001 0.000 0.191 144 E C 1.939 178.566 176.600 0.044 0.000 0.985 144 E CA 0.851 57.283 56.400 0.053 0.000 0.801 144 E CB -0.336 29.393 29.700 0.049 0.000 0.750 144 E HN 0.281 nan 8.360 nan 0.000 0.452 145 F N 1.569 121.451 119.950 -0.112 0.000 2.091 145 F HA -0.258 4.269 4.527 0.001 0.000 0.299 145 F C 1.909 177.691 175.800 -0.031 0.000 1.103 145 F CA 1.449 59.368 58.000 -0.134 0.000 1.228 145 F CB -0.199 38.646 39.000 -0.259 0.000 0.984 145 F HN -0.135 nan 8.300 nan 0.000 0.477 146 F N 0.874 120.871 119.950 0.077 0.000 2.069 146 F HA -0.155 4.372 4.527 0.001 0.000 0.298 146 F C 2.712 178.444 175.800 -0.113 0.000 1.113 146 F CA 1.093 59.076 58.000 -0.029 0.000 1.214 146 F CB -1.795 37.239 39.000 0.057 0.000 0.978 146 F HN 0.082 nan 8.300 nan 0.000 0.474 147 A N -0.266 122.629 122.820 0.125 0.000 2.024 147 A HA -0.199 4.122 4.320 0.001 0.000 0.220 147 A C 2.305 179.866 177.584 -0.037 0.000 1.164 147 A CA 2.057 54.116 52.037 0.036 0.000 0.643 147 A CB -1.124 17.898 19.000 0.036 0.000 0.806 147 A HN 0.428 nan 8.150 nan 0.000 0.451 148 S N -0.699 114.940 115.700 -0.101 0.000 2.527 148 S HA 0.044 4.515 4.470 0.001 0.000 0.222 148 S C 1.331 175.818 174.600 -0.189 0.000 0.985 148 S CA 1.063 59.176 58.200 -0.144 0.000 0.921 148 S CB -0.311 62.788 63.200 -0.168 0.000 0.772 148 S HN 1.069 nan 8.310 nan 0.000 0.529 149 V N -2.607 117.178 119.914 -0.216 0.000 3.612 149 V HA 0.649 4.770 4.120 0.001 0.000 0.268 149 V C 0.910 176.954 176.094 -0.084 0.000 1.365 149 V CA -0.214 61.979 62.300 -0.179 0.000 1.044 149 V CB -0.788 30.875 31.823 -0.266 0.000 0.820 149 V HN 0.517 nan 8.190 nan 0.000 0.444 150 A N 1.318 124.102 122.820 -0.060 0.000 2.540 150 A HA 0.288 4.609 4.320 0.001 0.000 0.239 150 A C 0.302 177.850 177.584 -0.061 0.000 1.061 150 A CA 0.235 52.241 52.037 -0.052 0.000 0.758 150 A CB -0.269 18.707 19.000 -0.039 0.000 0.991 150 A HN 0.673 nan 8.150 nan 0.000 0.502 151 E N 1.180 121.337 120.200 -0.072 0.000 2.249 151 E HA 0.204 4.555 4.350 0.001 0.000 0.280 151 E C -0.286 176.271 176.600 -0.072 0.000 1.016 151 E CA -0.595 55.761 56.400 -0.073 0.000 0.830 151 E CB 1.255 30.902 29.700 -0.089 0.000 1.081 151 E HN 0.594 nan 8.360 nan 0.000 0.395 152 K N 2.289 122.654 120.400 -0.060 0.000 2.368 152 K HA 0.199 4.520 4.320 0.001 0.000 0.282 152 K C -1.091 175.473 176.600 -0.059 0.000 1.035 152 K CA -0.173 56.081 56.287 -0.054 0.000 0.973 152 K CB 0.588 33.062 32.500 -0.043 0.000 0.957 152 K HN 0.193 nan 8.250 nan 0.000 0.474 153 V N 4.358 124.236 119.914 -0.061 0.000 2.588 153 V HA 0.066 4.187 4.120 0.001 0.000 0.304 153 V C 1.047 177.111 176.094 -0.050 0.000 1.042 153 V CA -0.681 61.582 62.300 -0.062 0.000 0.877 153 V CB 1.528 33.305 31.823 -0.077 0.000 0.996 153 V HN 1.009 nan 8.190 nan 0.000 0.425 154 E N 3.608 123.782 120.200 -0.043 0.000 2.031 154 E HA -0.155 4.196 4.350 0.001 0.000 0.193 154 E C 0.519 177.098 176.600 -0.035 0.000 0.994 154 E CA 1.474 57.853 56.400 -0.035 0.000 0.800 154 E CB 0.302 29.984 29.700 -0.030 0.000 0.752 154 E HN 0.812 nan 8.360 nan 0.000 0.447 155 Q N -0.689 119.088 119.800 -0.038 0.000 2.309 155 Q HA 0.379 4.720 4.340 0.001 0.000 0.273 155 Q C -1.248 174.724 176.000 -0.046 0.000 1.040 155 Q CA -0.785 54.996 55.803 -0.038 0.000 0.834 155 Q CB 2.092 30.812 28.738 -0.030 0.000 1.345 155 Q HN -0.069 nan 8.270 nan 0.000 0.414 156 V N 4.100 123.984 119.914 -0.051 0.000 2.393 156 V HA 0.062 4.183 4.120 0.001 0.000 0.257 156 V C 0.778 176.841 176.094 -0.052 0.000 1.040 156 V CA 0.380 62.644 62.300 -0.060 0.000 1.097 156 V CB -0.626 31.158 31.823 -0.066 0.000 1.101 156 V HN 0.807 nan 8.190 nan 0.000 0.479 157 R N 2.075 122.543 120.500 -0.052 0.000 2.221 157 R HA 0.126 4.467 4.340 0.001 0.000 0.195 157 R C 1.035 177.306 176.300 -0.048 0.000 0.956 157 R CA 0.689 56.763 56.100 -0.043 0.000 1.064 157 R CB 0.520 30.798 30.300 -0.036 0.000 1.049 157 R HN 0.762 nan 8.270 nan 0.000 0.534 158 T N -3.366 111.153 114.554 -0.059 0.000 2.940 158 T HA 0.263 4.614 4.350 0.001 0.000 0.288 158 T C 0.883 175.543 174.700 -0.068 0.000 1.045 158 T CA -0.723 61.341 62.100 -0.060 0.000 1.018 158 T CB 1.988 70.825 68.868 -0.052 0.000 1.151 158 T HN -0.213 nan 8.240 nan 0.000 0.529 159 S N -0.424 115.240 115.700 -0.059 0.000 2.442 159 S HA -0.078 4.393 4.470 0.001 0.000 0.236 159 S C 1.731 176.322 174.600 -0.016 0.000 1.007 159 S CA 1.279 59.453 58.200 -0.044 0.000 0.965 159 S CB -0.518 62.661 63.200 -0.034 0.000 0.773 159 S HN 0.851 nan 8.310 nan 0.000 0.504 160 E N 1.127 121.315 120.200 -0.020 0.000 2.028 160 E HA -0.179 4.172 4.350 0.001 0.000 0.191 160 E C 1.196 177.650 176.600 -0.244 0.000 0.988 160 E CA 1.370 57.699 56.400 -0.119 0.000 0.799 160 E CB -0.092 29.524 29.700 -0.141 0.000 0.755 160 E HN 0.321 nan 8.360 nan 0.000 0.447 161 D N 0.486 120.783 120.400 -0.172 0.000 2.133 161 D HA -0.170 4.471 4.640 0.001 0.000 0.195 161 D C 2.113 178.312 176.300 -0.168 0.000 0.997 161 D CA 1.064 54.966 54.000 -0.164 0.000 0.840 161 D CB -0.380 40.352 40.800 -0.113 0.000 0.947 161 D HN 0.117 nan 8.370 nan 0.000 0.452 162 V N 0.609 120.431 119.914 -0.155 0.000 2.332 162 V HA -0.224 3.896 4.120 0.001 0.000 0.248 162 V C 2.538 178.497 176.094 -0.225 0.000 1.055 162 V CA 1.246 63.446 62.300 -0.167 0.000 1.038 162 V CB -0.240 31.490 31.823 -0.154 0.000 0.651 162 V HN 0.073 nan 8.190 nan 0.000 0.450 163 V N 0.010 119.764 119.914 -0.267 0.000 2.379 163 V HA -0.107 4.014 4.120 0.001 0.000 0.243 163 V C 2.437 178.391 176.094 -0.233 0.000 1.035 163 V CA 1.652 63.756 62.300 -0.326 0.000 1.035 163 V CB 0.003 31.586 31.823 -0.401 0.000 0.673 163 V HN 0.522 nan 8.190 nan 0.000 0.457 164 V N -0.004 119.747 119.914 -0.272 0.000 2.626 164 V HA -0.123 3.998 4.120 0.001 0.000 0.252 164 V C 2.330 178.325 176.094 -0.165 0.000 1.067 164 V CA 2.117 64.278 62.300 -0.232 0.000 1.081 164 V CB -0.951 30.664 31.823 -0.346 0.000 0.686 164 V HN 0.618 nan 8.190 nan 0.000 0.468 165 S N -1.046 114.552 115.700 -0.169 0.000 2.562 165 S HA 0.064 4.535 4.470 0.001 0.000 0.221 165 S C 1.770 176.294 174.600 -0.127 0.000 0.975 165 S CA 0.919 59.042 58.200 -0.130 0.000 0.918 165 S CB -0.114 63.015 63.200 -0.118 0.000 0.772 165 S HN 0.689 nan 8.310 nan 0.000 0.531 166 K N 0.489 120.788 120.400 -0.168 0.000 2.286 166 K HA 0.231 4.552 4.320 0.001 0.000 0.203 166 K C 1.481 177.919 176.600 -0.270 0.000 1.078 166 K CA 0.969 57.130 56.287 -0.210 0.000 0.957 166 K CB 0.581 32.922 32.500 -0.264 0.000 1.018 166 K HN 0.355 nan 8.250 nan 0.000 0.484 167 V N -2.818 116.944 119.914 -0.253 0.000 3.477 167 V HA 0.485 4.606 4.120 0.001 0.000 0.297 167 V C 0.380 176.495 176.094 0.035 0.000 1.433 167 V CA 0.011 62.184 62.300 -0.211 0.000 1.052 167 V CB -0.104 31.548 31.823 -0.284 0.000 0.895 167 V HN 0.339 nan 8.190 nan 0.000 0.438 168 G N 1.456 110.252 108.800 -0.006 0.000 2.796 168 G HA2 -0.230 3.731 3.960 0.001 0.000 0.571 168 G HA3 -0.230 3.731 3.960 0.001 0.000 0.571 168 G C 0.128 175.082 174.900 0.090 0.000 1.370 168 G CA 0.365 45.479 45.100 0.023 0.000 0.856 168 G HN 0.619 nan 8.290 nan 0.000 0.538 169 R N -0.058 120.492 120.500 0.084 0.000 2.073 169 R HA 0.038 4.378 4.340 0.001 0.000 0.229 169 R C 2.196 178.648 176.300 0.253 0.000 1.120 169 R CA 2.399 58.585 56.100 0.144 0.000 0.967 169 R CB -0.843 29.504 30.300 0.079 0.000 0.862 169 R HN 0.660 nan 8.270 nan 0.000 0.436 170 D N -0.455 120.078 120.400 0.223 0.000 2.117 170 D HA -0.114 4.527 4.640 0.001 0.000 0.197 170 D C 1.832 178.332 176.300 0.333 0.000 0.987 170 D CA 1.283 55.440 54.000 0.262 0.000 0.829 170 D CB 0.000 40.965 40.800 0.275 0.000 0.961 170 D HN 0.275 nan 8.370 nan 0.000 0.460 171 L N -0.515 120.945 121.223 0.395 0.000 2.056 171 L HA -0.142 4.199 4.340 0.001 0.000 0.207 171 L C 2.276 179.446 176.870 0.501 0.000 1.078 171 L CA 1.052 56.177 54.840 0.476 0.000 0.749 171 L CB -0.651 41.667 42.059 0.432 0.000 0.901 171 L HN 0.196 nan 8.230 nan 0.000 0.433 172 Y N 1.567 122.034 120.300 0.279 0.000 2.081 172 Y HA -0.326 4.225 4.550 0.001 0.000 0.280 172 Y C 2.461 178.532 175.900 0.284 0.000 1.163 172 Y CA 1.983 60.246 58.100 0.271 0.000 1.135 172 Y CB -0.322 38.205 38.460 0.112 0.000 0.970 172 Y HN 0.228 nan 8.280 nan 0.000 0.498 173 N N 0.426 119.221 118.700 0.157 0.000 2.166 173 N HA -0.145 4.596 4.740 0.001 0.000 0.186 173 N C 1.689 177.181 175.510 -0.030 0.000 1.019 173 N CA 1.506 54.552 53.050 -0.007 0.000 0.856 173 N CB -0.355 38.192 38.487 0.100 0.000 0.993 173 N HN 0.284 nan 8.380 nan 0.000 0.426 174 K N -0.410 120.011 120.400 0.035 0.000 2.097 174 K HA 0.085 4.406 4.320 0.001 0.000 0.205 174 K C 1.228 177.582 176.600 -0.409 0.000 1.050 174 K CA 1.020 57.193 56.287 -0.190 0.000 0.938 174 K CB -0.035 32.333 32.500 -0.221 0.000 0.718 174 K HN 0.157 nan 8.250 nan 0.000 0.442 175 F N -3.054 116.864 119.950 -0.053 0.000 2.667 175 F HA 0.232 4.760 4.527 0.002 0.000 0.288 175 F C 1.145 176.697 175.800 -0.414 0.000 1.086 175 F CA -0.079 57.780 58.000 -0.234 0.000 1.297 175 F CB 0.358 39.191 39.000 -0.278 0.000 1.059 175 F HN -0.128 nan 8.300 nan 0.000 0.624 176 F N -0.688 119.271 119.950 0.015 0.000 2.514 176 F HA 0.246 4.774 4.527 0.001 0.000 0.281 176 F C 2.382 178.084 175.800 -0.163 0.000 1.060 176 F CA 0.203 58.167 58.000 -0.059 0.000 1.397 176 F CB -0.376 38.599 39.000 -0.041 0.000 1.129 176 F HN -0.368 nan 8.300 nan 0.000 0.620 177 R N 0.734 121.054 120.500 -0.299 0.000 2.070 177 R HA -0.105 4.236 4.340 0.001 0.000 0.233 177 R C 2.371 178.646 176.300 -0.042 0.000 1.137 177 R CA 1.746 57.666 56.100 -0.299 0.000 0.945 177 R CB -0.965 29.063 30.300 -0.453 0.000 0.845 177 R HN 0.385 nan 8.270 nan 0.000 0.430 178 G N -0.551 108.229 108.800 -0.033 0.000 2.404 178 G HA2 -0.329 3.632 3.960 0.001 0.000 0.215 178 G HA3 -0.329 3.632 3.960 0.001 0.000 0.215 178 G C 1.326 176.256 174.900 0.051 0.000 1.174 178 G CA 0.771 45.872 45.100 0.002 0.000 0.780 178 G HN 0.472 nan 8.290 nan 0.000 0.537 179 Y N 1.762 122.042 120.300 -0.033 0.000 2.128 179 Y HA -0.188 4.363 4.550 0.001 0.000 0.284 179 Y C 3.156 179.097 175.900 0.068 0.000 1.154 179 Y CA 2.360 60.458 58.100 -0.005 0.000 1.149 179 Y CB -0.235 38.200 38.460 -0.041 0.000 0.976 179 Y HN 0.212 nan 8.280 nan 0.000 0.505 180 T N 0.368 115.136 114.554 0.357 0.000 2.737 180 T HA -0.156 4.195 4.350 0.001 0.000 0.265 180 T C 1.853 176.727 174.700 0.290 0.000 1.038 180 T CA 1.621 63.971 62.100 0.416 0.000 1.144 180 T CB -0.247 68.841 68.868 0.366 0.000 0.866 180 T HN 0.309 nan 8.240 nan 0.000 0.434 181 R N 0.864 121.461 120.500 0.161 0.000 2.103 181 R HA -0.115 4.226 4.340 0.001 0.000 0.242 181 R C 2.560 178.898 176.300 0.063 0.000 1.142 181 R CA 1.610 57.776 56.100 0.111 0.000 0.960 181 R CB -0.204 30.134 30.300 0.064 0.000 0.858 181 R HN 0.323 nan 8.270 nan 0.000 0.439 182 K N 0.614 121.006 120.400 -0.014 0.000 2.001 182 K HA -0.251 4.070 4.320 0.001 0.000 0.208 182 K C 2.258 178.767 176.600 -0.152 0.000 1.048 182 K CA 1.767 57.995 56.287 -0.097 0.000 0.932 182 K CB 0.005 32.399 32.500 -0.176 0.000 0.715 182 K HN -0.031 nan 8.250 nan 0.000 0.437 183 Q N -0.597 119.059 119.800 -0.240 0.000 2.084 183 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 183 Q C 1.105 176.832 176.000 -0.454 0.000 0.978 183 Q CA 2.183 57.722 55.803 -0.439 0.000 0.844 183 Q CB -0.161 28.241 28.738 -0.559 0.000 0.898 183 Q HN 0.482 nan 8.270 nan 0.000 0.426 184 W N -1.768 119.482 121.300 -0.084 0.000 2.993 184 W HA 0.434 5.095 4.660 0.001 0.000 0.290 184 W C 1.217 177.730 176.519 -0.010 0.000 1.203 184 W CA 0.187 57.503 57.345 -0.049 0.000 1.582 184 W CB 0.450 29.898 29.460 -0.020 0.000 1.033 184 W HN 0.288 nan 8.180 nan 0.000 0.594 185 G N 0.638 109.547 108.800 0.182 0.000 2.168 185 G HA2 -0.253 3.708 3.960 0.001 0.000 0.263 185 G HA3 -0.253 3.708 3.960 0.001 0.000 0.263 185 G C -0.377 174.607 174.900 0.139 0.000 0.977 185 G CA 0.181 45.357 45.100 0.127 0.000 0.659 185 G HN 0.055 nan 8.290 nan 0.000 0.533 186 L N 0.167 121.500 121.223 0.183 0.000 2.370 186 L HA 0.613 4.954 4.340 0.001 0.000 0.266 186 L C 0.147 177.087 176.870 0.116 0.000 1.002 186 L CA -1.339 53.578 54.840 0.127 0.000 0.818 186 L CB 1.578 43.697 42.059 0.099 0.000 1.325 186 L HN 0.272 nan 8.230 nan 0.000 0.418 187 D N 2.712 123.165 120.400 0.088 0.000 2.362 187 D HA 0.195 4.836 4.640 0.001 0.000 0.242 187 D C -1.642 174.711 176.300 0.089 0.000 1.132 187 D CA -0.916 53.144 54.000 0.100 0.000 0.907 187 D CB 1.423 42.279 40.800 0.093 0.000 1.195 187 D HN 0.290 nan 8.370 nan 0.000 0.429 188 P HA -0.114 nan 4.420 nan 0.000 0.225 188 P C 0.882 178.219 177.300 0.060 0.000 1.148 188 P CA 0.912 64.085 63.100 0.122 0.000 0.779 188 P CB -0.001 31.873 31.700 0.291 0.000 0.780 189 S N -0.751 114.989 115.700 0.066 0.000 2.481 189 S HA -0.093 4.378 4.470 0.001 0.000 0.231 189 S C 1.424 176.022 174.600 -0.004 0.000 0.996 189 S CA 0.826 59.036 58.200 0.016 0.000 0.942 189 S CB -0.863 62.349 63.200 0.019 0.000 0.768 189 S HN 0.263 nan 8.310 nan 0.000 0.520 190 E N 0.490 120.689 120.200 -0.002 0.000 2.444 190 E HA 0.368 4.719 4.350 0.001 0.000 0.191 190 E C -0.489 176.077 176.600 -0.056 0.000 1.041 190 E CA -0.128 56.263 56.400 -0.014 0.000 0.883 190 E CB 0.223 29.928 29.700 0.009 0.000 1.024 190 E HN 0.511 nan 8.360 nan 0.000 0.470 191 L N 1.387 122.553 121.223 -0.094 0.000 2.354 191 L HA 0.299 4.640 4.340 0.001 0.000 0.269 191 L C -0.141 176.656 176.870 -0.122 0.000 1.005 191 L CA -1.377 53.362 54.840 -0.169 0.000 0.819 191 L CB 1.555 43.418 42.059 -0.327 0.000 1.311 191 L HN -0.010 nan 8.230 nan 0.000 0.423 192 D N 1.052 121.383 120.400 -0.116 0.000 2.377 192 D HA 0.210 4.851 4.640 0.001 0.000 0.245 192 D C 0.905 177.159 176.300 -0.076 0.000 1.196 192 D CA -0.125 53.830 54.000 -0.076 0.000 0.962 192 D CB 1.044 41.814 40.800 -0.050 0.000 1.127 192 D HN 0.545 nan 8.370 nan 0.000 0.471 193 A N 0.287 123.073 122.820 -0.056 0.000 2.019 193 A HA -0.131 4.189 4.320 0.001 0.000 0.219 193 A C 2.047 179.605 177.584 -0.044 0.000 1.164 193 A CA 1.835 53.839 52.037 -0.056 0.000 0.644 193 A CB -1.222 17.746 19.000 -0.053 0.000 0.805 193 A HN 0.663 nan 8.150 nan 0.000 0.449 194 S N -0.453 115.228 115.700 -0.030 0.000 2.469 194 S HA -0.093 4.378 4.470 0.001 0.000 0.238 194 S C 1.622 176.230 174.600 0.013 0.000 0.998 194 S CA 1.306 59.500 58.200 -0.010 0.000 0.957 194 S CB -0.695 62.507 63.200 0.004 0.000 0.764 194 S HN 0.245 nan 8.310 nan 0.000 0.514 195 V N 2.726 122.647 119.914 0.010 0.000 2.239 195 V HA -0.110 4.011 4.120 0.001 0.000 0.242 195 V C 3.181 179.352 176.094 0.128 0.000 1.038 195 V CA 2.088 64.440 62.300 0.087 0.000 1.002 195 V CB -1.476 30.295 31.823 -0.086 0.000 0.641 195 V HN 0.828 nan 8.190 nan 0.000 0.449 196 T N -1.116 113.485 114.554 0.079 0.000 3.023 196 T HA 0.033 4.384 4.350 0.001 0.000 0.266 196 T C 1.802 176.512 174.700 0.015 0.000 1.093 196 T CA 1.072 63.237 62.100 0.109 0.000 1.129 196 T CB -0.321 68.555 68.868 0.015 0.000 0.899 196 T HN 0.412 nan 8.240 nan 0.000 0.491 197 A N 1.859 124.661 122.820 -0.028 0.000 2.125 197 A HA -0.011 4.309 4.320 0.001 0.000 0.219 197 A C 2.483 180.048 177.584 -0.031 0.000 1.156 197 A CA 0.998 53.004 52.037 -0.053 0.000 0.671 197 A CB -0.698 18.271 19.000 -0.052 0.000 0.794 197 A HN 0.556 nan 8.150 nan 0.000 0.459 198 R N -0.957 119.543 120.500 0.000 0.000 2.152 198 R HA -0.027 4.314 4.340 0.001 0.000 0.232 198 R C -0.173 176.107 176.300 -0.033 0.000 1.117 198 R CA 0.975 57.070 56.100 -0.008 0.000 0.981 198 R CB -0.158 30.141 30.300 -0.001 0.000 0.870 198 R HN 0.303 nan 8.270 nan 0.000 0.451 199 V N 4.137 124.048 119.914 -0.004 0.000 2.259 199 V HA 0.189 4.310 4.120 0.001 0.000 0.267 199 V C -1.901 174.154 176.094 -0.065 0.000 1.051 199 V CA -1.763 60.497 62.300 -0.068 0.000 0.830 199 V CB 0.856 32.719 31.823 0.067 0.000 1.080 199 V HN 0.095 nan 8.190 nan 0.000 0.467 200 P HA 0.238 nan 4.420 nan 0.000 0.274 200 P C -0.184 177.036 177.300 -0.133 0.000 1.246 200 P CA -0.058 62.967 63.100 -0.125 0.000 0.795 200 P CB 0.836 32.461 31.700 -0.125 0.000 1.006 201 T N 1.942 116.409 114.554 -0.146 0.000 2.837 201 T HA 0.456 4.807 4.350 0.001 0.000 0.285 201 T C 0.290 174.925 174.700 -0.109 0.000 0.984 201 T CA -0.522 61.477 62.100 -0.168 0.000 1.049 201 T CB 0.793 69.483 68.868 -0.297 0.000 0.947 201 T HN 0.316 nan 8.240 nan 0.000 0.472 202 R N 0.632 121.097 120.500 -0.058 0.000 2.711 202 R HA 0.516 4.857 4.340 0.001 0.000 0.284 202 R C 1.123 177.487 176.300 0.106 0.000 0.968 202 R CA -0.679 55.417 56.100 -0.007 0.000 0.924 202 R CB 1.230 31.497 30.300 -0.055 0.000 1.162 202 R HN 0.789 nan 8.270 nan 0.000 0.465 203 T N -2.806 111.793 114.554 0.075 0.000 3.040 203 T HA 0.020 4.371 4.350 0.001 0.000 0.250 203 T C 0.649 175.314 174.700 -0.058 0.000 1.058 203 T CA -0.176 61.959 62.100 0.058 0.000 0.988 203 T CB -0.249 68.649 68.868 0.051 0.000 0.993 203 T HN 0.585 nan 8.240 nan 0.000 0.519 204 N N 1.699 120.358 118.700 -0.069 0.000 2.514 204 N HA 0.279 5.020 4.740 0.001 0.000 0.299 204 N C 0.372 175.826 175.510 -0.093 0.000 1.292 204 N CA -1.036 51.951 53.050 -0.106 0.000 0.963 204 N CB 0.395 38.822 38.487 -0.100 0.000 1.124 204 N HN 0.080 nan 8.380 nan 0.000 0.580 205 R N -1.616 118.827 120.500 -0.096 0.000 2.586 205 R HA 0.196 4.537 4.340 0.001 0.000 0.336 205 R C -0.734 175.517 176.300 -0.083 0.000 1.060 205 R CA -0.452 55.596 56.100 -0.087 0.000 1.079 205 R CB -0.206 30.044 30.300 -0.085 0.000 1.317 205 R HN 0.548 nan 8.270 nan 0.000 0.568 206 D N 2.216 122.564 120.400 -0.086 0.000 2.358 206 D HA -0.039 4.602 4.640 0.001 0.000 0.258 206 D C 0.449 176.688 176.300 -0.101 0.000 1.223 206 D CA 0.146 54.092 54.000 -0.089 0.000 0.886 206 D CB 0.731 41.477 40.800 -0.090 0.000 1.120 206 D HN 0.200 nan 8.370 nan 0.000 0.482 207 N N 2.925 121.565 118.700 -0.100 0.000 2.214 207 N HA 0.009 4.750 4.740 0.001 0.000 0.214 207 N C -0.155 175.281 175.510 -0.124 0.000 1.132 207 N CA -0.341 52.642 53.050 -0.111 0.000 0.856 207 N CB 0.108 38.535 38.487 -0.100 0.000 1.020 207 N HN 0.154 nan 8.380 nan 0.000 0.509 208 R N -0.121 120.305 120.500 -0.122 0.000 2.490 208 R HA 0.117 4.458 4.340 0.001 0.000 0.280 208 R C 0.425 176.624 176.300 -0.169 0.000 1.077 208 R CA -0.511 55.515 56.100 -0.124 0.000 1.065 208 R CB 0.500 30.746 30.300 -0.091 0.000 1.003 208 R HN 0.029 nan 8.270 nan 0.000 0.470 209 Y N 1.677 121.753 120.300 -0.373 0.000 2.242 209 Y HA -0.033 4.518 4.550 0.001 0.000 0.291 209 Y C -0.128 175.337 175.900 -0.725 0.000 1.137 209 Y CA 1.356 59.094 58.100 -0.603 0.000 1.181 209 Y CB 0.328 38.299 38.460 -0.816 0.000 0.989 209 Y HN 0.384 nan 8.280 nan 0.000 0.527 210 F N -2.012 117.877 119.950 -0.102 0.000 2.538 210 F HA 0.580 5.108 4.527 0.002 0.000 0.325 210 F C 0.606 176.315 175.800 -0.151 0.000 1.066 210 F CA -0.721 57.161 58.000 -0.198 0.000 0.946 210 F CB 1.460 40.288 39.000 -0.287 0.000 1.199 210 F HN -0.234 nan 8.300 nan 0.000 0.473 211 A N 0.455 123.300 122.820 0.042 0.000 2.545 211 A HA 0.289 4.610 4.320 0.001 0.000 0.277 211 A C -0.368 177.197 177.584 -0.031 0.000 1.301 211 A CA -0.378 51.645 52.037 -0.022 0.000 0.935 211 A CB -0.817 18.150 19.000 -0.056 0.000 1.093 211 A HN 0.669 nan 8.150 nan 0.000 0.519 212 D N -0.043 120.358 120.400 0.002 0.000 2.400 212 D HA 0.196 4.837 4.640 0.001 0.000 0.238 212 D C 1.355 177.558 176.300 -0.162 0.000 1.157 212 D CA 0.562 54.527 54.000 -0.058 0.000 0.889 212 D CB 0.759 41.538 40.800 -0.035 0.000 1.199 212 D HN 0.140 nan 8.370 nan 0.000 0.436 213 T N 0.360 114.751 114.554 -0.271 0.000 2.708 213 T HA -0.151 4.200 4.350 0.001 0.000 0.266 213 T C 0.353 174.599 174.700 -0.756 0.000 1.037 213 T CA 1.288 63.052 62.100 -0.559 0.000 1.146 213 T CB -0.274 68.112 68.868 -0.802 0.000 0.865 213 T HN 0.356 nan 8.240 nan 0.000 0.435 214 Y N 1.366 121.460 120.300 -0.343 0.000 2.334 214 Y HA 0.537 5.088 4.550 0.002 0.000 0.336 214 Y C 0.179 175.854 175.900 -0.374 0.000 0.960 214 Y CA -0.992 56.761 58.100 -0.577 0.000 1.164 214 Y CB 0.904 38.708 38.460 -1.094 0.000 1.155 214 Y HN 0.017 nan 8.280 nan 0.000 0.478 215 Q N 3.086 122.805 119.800 -0.135 0.000 2.414 215 Q HA 0.797 5.138 4.340 0.001 0.000 0.256 215 Q C -1.256 174.833 176.000 0.147 0.000 0.974 215 Q CA -0.684 55.136 55.803 0.030 0.000 0.723 215 Q CB 2.093 30.855 28.738 0.039 0.000 1.281 215 Q HN 0.802 nan 8.270 nan 0.000 0.470 216 A N 2.542 125.539 122.820 0.296 0.000 2.612 216 A HA 0.800 5.121 4.320 0.001 0.000 0.293 216 A C -1.464 176.513 177.584 0.656 0.000 1.075 216 A CA -0.734 51.564 52.037 0.435 0.000 0.680 216 A CB 1.586 20.801 19.000 0.359 0.000 1.279 216 A HN 0.478 nan 8.150 nan 0.000 0.411 217 M N 1.235 121.171 119.600 0.560 0.000 2.404 217 M HA 0.392 4.873 4.480 0.001 0.000 0.338 217 M C -2.590 173.828 176.300 0.196 0.000 1.150 217 M CA -2.502 53.014 55.300 0.360 0.000 1.016 217 M CB 0.806 33.507 32.600 0.169 0.000 1.672 217 M HN 0.267 nan 8.290 nan 0.000 0.448 218 P HA -0.056 nan 4.420 nan 0.000 0.261 218 P C 0.908 177.999 177.300 -0.348 0.000 1.183 218 P CA -0.041 62.746 63.100 -0.523 0.000 0.761 218 P CB 0.269 31.574 31.700 -0.659 0.000 0.785 219 L N 4.610 125.595 121.223 -0.397 0.000 2.079 219 L HA -0.188 4.153 4.340 0.001 0.000 0.210 219 L C 1.341 177.918 176.870 -0.488 0.000 1.081 219 L CA 2.163 56.748 54.840 -0.426 0.000 0.752 219 L CB -0.860 40.850 42.059 -0.582 0.000 0.896 219 L HN 0.479 nan 8.230 nan 0.000 0.433 220 H N -0.954 118.036 119.070 -0.134 0.000 2.674 220 H HA 0.558 5.115 4.556 0.001 0.000 0.274 220 H C 0.848 176.118 175.328 -0.097 0.000 1.121 220 H CA 0.413 56.414 56.048 -0.078 0.000 1.132 220 H CB -0.062 29.662 29.762 -0.063 0.000 1.606 220 H HN 0.306 nan 8.280 nan 0.000 0.558 221 G N -0.040 108.699 108.800 -0.102 0.000 2.619 221 G HA2 -0.235 3.726 3.960 0.001 0.000 0.686 221 G HA3 -0.235 3.726 3.960 0.001 0.000 0.686 221 G C -0.029 174.772 174.900 -0.165 0.000 1.256 221 G CA -0.545 44.474 45.100 -0.135 0.000 0.826 221 G HN 0.186 nan 8.290 nan 0.000 0.619 222 Y N 0.329 120.580 120.300 -0.082 0.000 2.200 222 Y HA -0.063 4.488 4.550 0.001 0.000 0.290 222 Y C 3.383 179.320 175.900 0.062 0.000 1.137 222 Y CA 2.374 60.454 58.100 -0.034 0.000 1.163 222 Y CB -0.404 38.074 38.460 0.031 0.000 0.988 222 Y HN 0.653 nan 8.280 nan 0.000 0.518 223 T N 0.164 114.809 114.554 0.152 0.000 2.652 223 T HA -0.187 4.164 4.350 0.001 0.000 0.267 223 T C 2.000 176.766 174.700 0.111 0.000 1.039 223 T CA 1.354 63.531 62.100 0.128 0.000 1.153 223 T CB -0.174 68.657 68.868 -0.061 0.000 0.863 223 T HN 0.213 nan 8.240 nan 0.000 0.428 224 R N 0.707 121.227 120.500 0.034 0.000 2.105 224 R HA -0.038 4.303 4.340 0.001 0.000 0.239 224 R C 2.448 178.726 176.300 -0.037 0.000 1.135 224 R CA 1.165 57.268 56.100 0.005 0.000 0.967 224 R CB -0.787 29.519 30.300 0.010 0.000 0.861 224 R HN 0.484 nan 8.270 nan 0.000 0.442 225 M N -0.280 119.264 119.600 -0.093 0.000 2.086 225 M HA -0.162 4.319 4.480 0.001 0.000 0.261 225 M C 1.753 177.900 176.300 -0.255 0.000 1.067 225 M CA 1.797 56.969 55.300 -0.214 0.000 1.116 225 M CB -0.194 32.193 32.600 -0.355 0.000 1.348 225 M HN -0.023 nan 8.290 nan 0.000 0.407 226 F N 0.831 120.676 119.950 -0.176 0.000 2.171 226 F HA -0.242 4.286 4.527 0.001 0.000 0.300 226 F C 2.545 178.231 175.800 -0.190 0.000 1.090 226 F CA 1.714 59.580 58.000 -0.224 0.000 1.293 226 F CB -0.447 38.434 39.000 -0.199 0.000 1.013 226 F HN 0.287 nan 8.300 nan 0.000 0.486 227 Q N -0.023 119.808 119.800 0.051 0.000 2.096 227 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 227 Q C 1.955 177.929 176.000 -0.043 0.000 0.982 227 Q CA 1.553 57.358 55.803 0.003 0.000 0.850 227 Q CB -0.290 28.454 28.738 0.011 0.000 0.901 227 Q HN 0.362 nan 8.270 nan 0.000 0.422 228 N N 0.505 119.171 118.700 -0.057 0.000 2.120 228 N HA -0.173 4.567 4.740 0.001 0.000 0.188 228 N C 1.583 177.030 175.510 -0.104 0.000 1.024 228 N CA 1.210 54.247 53.050 -0.022 0.000 0.852 228 N CB -0.263 38.257 38.487 0.055 0.000 1.003 228 N HN 0.245 nan 8.380 nan 0.000 0.424 229 M N 0.094 119.448 119.600 -0.411 0.000 2.117 229 M HA -0.048 4.433 4.480 0.001 0.000 0.262 229 M C 0.872 176.950 176.300 -0.369 0.000 1.065 229 M CA 1.361 56.156 55.300 -0.842 0.000 1.114 229 M CB 0.103 32.128 32.600 -0.958 0.000 1.361 229 M HN 0.022 nan 8.290 nan 0.000 0.408 230 L N -0.707 120.400 121.223 -0.194 0.000 2.728 230 L HA 0.093 4.434 4.340 0.001 0.000 0.235 230 L C 1.597 178.427 176.870 -0.067 0.000 1.197 230 L CA -0.274 54.500 54.840 -0.110 0.000 0.992 230 L CB -0.064 41.953 42.059 -0.071 0.000 1.263 230 L HN 0.157 nan 8.230 nan 0.000 0.484 231 S N -0.994 114.673 115.700 -0.056 0.000 2.593 231 S HA 0.024 4.495 4.470 0.001 0.000 0.217 231 S C 1.022 175.619 174.600 -0.006 0.000 0.966 231 S CA -0.125 58.061 58.200 -0.022 0.000 0.914 231 S CB 0.057 63.251 63.200 -0.009 0.000 0.776 231 S HN 0.425 nan 8.310 nan 0.000 0.523 232 S N 1.883 117.578 115.700 -0.008 0.000 2.562 232 S HA 0.213 4.684 4.470 0.001 0.000 0.281 232 S C -1.628 172.982 174.600 0.018 0.000 1.333 232 S CA -1.107 57.099 58.200 0.009 0.000 1.052 232 S CB 0.767 63.972 63.200 0.009 0.000 0.884 232 S HN 0.156 nan 8.310 nan 0.000 0.506 233 P HA -0.013 nan 4.420 nan 0.000 0.223 233 P C 0.335 177.667 177.300 0.054 0.000 1.144 233 P CA 0.856 63.978 63.100 0.036 0.000 0.783 233 P CB 0.017 31.738 31.700 0.034 0.000 0.771 234 N N -0.798 117.935 118.700 0.057 0.000 2.322 234 N HA 0.111 4.852 4.740 0.001 0.000 0.194 234 N C 0.235 175.797 175.510 0.086 0.000 1.126 234 N CA 0.263 53.364 53.050 0.085 0.000 0.845 234 N CB 0.414 38.951 38.487 0.084 0.000 0.976 234 N HN 0.264 nan 8.380 nan 0.000 0.475 235 I N 1.447 122.045 120.570 0.047 0.000 2.362 235 I HA 0.195 4.366 4.170 0.001 0.000 0.289 235 I C -0.277 175.840 176.117 0.001 0.000 0.994 235 I CA -0.703 60.602 61.300 0.008 0.000 1.158 235 I CB 1.240 39.223 38.000 -0.028 0.000 1.315 235 I HN -0.399 nan 8.210 nan 0.000 0.451 236 K N 6.389 126.767 120.400 -0.037 0.000 2.265 236 K HA 0.506 4.827 4.320 0.001 0.000 0.267 236 K C -0.800 175.727 176.600 -0.122 0.000 0.994 236 K CA -0.679 55.576 56.287 -0.054 0.000 0.860 236 K CB 2.475 34.956 32.500 -0.031 0.000 1.099 236 K HN 0.259 nan 8.250 nan 0.000 0.448 237 V N 4.375 124.239 119.914 -0.083 0.000 2.370 237 V HA 0.400 4.521 4.120 0.001 0.000 0.279 237 V C -0.000 176.037 176.094 -0.095 0.000 1.029 237 V CA -0.662 61.578 62.300 -0.100 0.000 0.870 237 V CB 1.260 33.036 31.823 -0.079 0.000 0.984 237 V HN 0.722 nan 8.190 nan 0.000 0.451 238 M N 6.586 126.114 119.600 -0.119 0.000 2.134 238 M HA 0.588 5.069 4.480 0.001 0.000 0.310 238 M C -1.532 174.701 176.300 -0.112 0.000 0.966 238 M CA -0.313 54.927 55.300 -0.099 0.000 0.922 238 M CB 1.128 33.669 32.600 -0.099 0.000 1.537 238 M HN 0.525 nan 8.290 nan 0.000 0.424 239 L N 3.208 124.371 121.223 -0.100 0.000 2.331 239 L HA 0.529 4.870 4.340 0.001 0.000 0.268 239 L C 0.881 177.687 176.870 -0.106 0.000 1.015 239 L CA -0.794 53.971 54.840 -0.125 0.000 0.807 239 L CB 1.160 43.143 42.059 -0.126 0.000 1.293 239 L HN 0.929 nan 8.230 nan 0.000 0.451 240 N N -0.341 118.281 118.700 -0.130 0.000 2.714 240 N HA -0.173 4.568 4.740 0.001 0.000 0.250 240 N C -0.872 174.590 175.510 -0.080 0.000 1.117 240 N CA 1.109 54.098 53.050 -0.102 0.000 0.719 240 N CB -0.712 37.732 38.487 -0.072 0.000 1.081 240 N HN 0.758 nan 8.380 nan 0.000 0.557 241 T N 0.481 114.981 114.554 -0.090 0.000 2.864 241 T HA 0.139 4.490 4.350 0.001 0.000 0.299 241 T C -0.925 173.732 174.700 -0.071 0.000 1.011 241 T CA -0.705 61.352 62.100 -0.072 0.000 0.975 241 T CB 1.374 70.201 68.868 -0.069 0.000 0.962 241 T HN 0.145 nan 8.240 nan 0.000 0.448 242 D N 1.717 122.073 120.400 -0.074 0.000 2.424 242 D HA 0.020 4.661 4.640 0.001 0.000 0.244 242 D C 1.252 177.490 176.300 -0.104 0.000 1.134 242 D CA -0.428 53.525 54.000 -0.077 0.000 0.881 242 D CB 0.732 41.455 40.800 -0.129 0.000 1.191 242 D HN 0.686 nan 8.370 nan 0.000 0.445 243 Y N 3.177 123.415 120.300 -0.104 0.000 2.256 243 Y HA -0.103 4.448 4.550 0.001 0.000 0.288 243 Y C 2.080 177.894 175.900 -0.144 0.000 1.155 243 Y CA 0.891 58.908 58.100 -0.138 0.000 1.203 243 Y CB -0.290 38.099 38.460 -0.119 0.000 0.980 243 Y HN 0.297 nan 8.280 nan 0.000 0.530 244 R N 0.884 120.818 120.500 -0.943 0.000 2.127 244 R HA -0.133 4.208 4.340 0.001 0.000 0.238 244 R C 1.692 177.797 176.300 -0.325 0.000 1.134 244 R CA 1.734 57.413 56.100 -0.702 0.000 0.975 244 R CB -0.300 29.570 30.300 -0.718 0.000 0.865 244 R HN 0.625 nan 8.270 nan 0.000 0.447 245 E N 0.243 120.297 120.200 -0.242 0.000 2.511 245 E HA -0.078 4.273 4.350 0.001 0.000 0.196 245 E C 1.376 177.884 176.600 -0.153 0.000 1.066 245 E CA 0.767 57.099 56.400 -0.112 0.000 0.871 245 E CB 0.184 29.852 29.700 -0.053 0.000 0.863 245 E HN 0.552 nan 8.360 nan 0.000 0.520 246 I N -5.448 114.916 120.570 -0.344 0.000 4.670 246 I HA 0.396 4.566 4.170 0.001 0.000 0.339 246 I C 1.775 177.500 176.117 -0.654 0.000 1.310 246 I CA -0.203 60.636 61.300 -0.767 0.000 1.288 246 I CB 0.604 38.345 38.000 -0.431 0.000 1.427 246 I HN -0.123 nan 8.210 nan 0.000 0.494 247 A N 1.332 123.973 122.820 -0.298 0.000 1.969 247 A HA -0.127 4.194 4.320 0.001 0.000 0.218 247 A C 1.653 179.225 177.584 -0.020 0.000 1.169 247 A CA 2.098 54.113 52.037 -0.036 0.000 0.635 247 A CB -0.624 18.421 19.000 0.074 0.000 0.810 247 A HN 0.451 nan 8.150 nan 0.000 0.445 248 D N -1.261 119.061 120.400 -0.130 0.000 2.312 248 D HA -0.015 4.626 4.640 0.001 0.000 0.211 248 D C 0.936 177.305 176.300 0.114 0.000 0.964 248 D CA 1.335 55.345 54.000 0.017 0.000 0.877 248 D CB -0.088 40.768 40.800 0.094 0.000 0.924 248 D HN 0.736 nan 8.370 nan 0.000 0.515 249 F N -2.178 117.824 119.950 0.086 0.000 2.915 249 F HA 0.393 4.921 4.527 0.001 0.000 0.347 249 F C -0.068 175.798 175.800 0.110 0.000 1.104 249 F CA -0.688 57.357 58.000 0.075 0.000 1.126 249 F CB -0.026 39.003 39.000 0.047 0.000 1.145 249 F HN -0.303 nan 8.300 nan 0.000 0.541 250 I N 3.552 124.119 120.570 -0.005 0.000 2.377 250 I HA 0.425 4.596 4.170 0.001 0.000 0.293 250 I C -2.492 173.799 176.117 0.290 0.000 0.987 250 I CA -2.115 59.287 61.300 0.170 0.000 1.185 250 I CB 1.577 39.652 38.000 0.124 0.000 1.341 250 I HN -0.200 nan 8.210 nan 0.000 0.455 251 P HA 0.313 nan 4.420 nan 0.000 0.287 251 P C -1.168 176.324 177.300 0.320 0.000 1.294 251 P CA -0.052 63.149 63.100 0.169 0.000 0.776 251 P CB 0.177 31.917 31.700 0.067 0.000 0.889 252 F N 0.097 120.097 119.950 0.084 0.000 2.608 252 F HA 0.485 5.013 4.527 0.001 0.000 0.309 252 F C 0.773 176.590 175.800 0.028 0.000 1.103 252 F CA -0.994 57.061 58.000 0.092 0.000 0.954 252 F CB 0.976 40.046 39.000 0.116 0.000 1.267 252 F HN -0.014 nan 8.300 nan 0.000 0.444 253 Q N 1.024 120.869 119.800 0.075 0.000 1.969 253 Q HA -0.036 4.305 4.340 0.001 0.000 0.198 253 Q C -0.229 175.810 176.000 0.065 0.000 0.978 253 Q CA 1.711 57.499 55.803 -0.024 0.000 0.830 253 Q CB -0.273 28.430 28.738 -0.057 0.000 0.896 253 Q HN 0.843 nan 8.270 nan 0.000 0.431 254 H N -0.909 118.172 119.070 0.019 0.000 2.489 254 H HA 0.446 5.003 4.556 0.002 0.000 0.343 254 H C -0.994 174.517 175.328 0.306 0.000 1.086 254 H CA -0.319 55.778 56.048 0.082 0.000 1.198 254 H CB 1.003 30.644 29.762 -0.202 0.000 1.490 254 H HN 0.025 nan 8.280 nan 0.000 0.504 255 M N 6.725 126.430 119.600 0.176 0.000 2.101 255 M HA 0.398 4.878 4.480 0.001 0.000 0.340 255 M C -1.497 174.818 176.300 0.025 0.000 1.057 255 M CA -0.612 54.734 55.300 0.077 0.000 0.984 255 M CB 0.406 33.023 32.600 0.027 0.000 1.560 255 M HN 0.573 nan 8.290 nan 0.000 0.435 256 I N 5.749 126.370 120.570 0.085 0.000 2.301 256 I HA 0.170 4.341 4.170 0.001 0.000 0.292 256 I C -1.159 174.866 176.117 -0.154 0.000 1.046 256 I CA -0.486 60.821 61.300 0.011 0.000 1.282 256 I CB 0.502 38.541 38.000 0.065 0.000 1.409 256 I HN 0.607 nan 8.210 nan 0.000 0.484 257 Y N 6.100 126.105 120.300 -0.491 0.000 2.341 257 Y HA 0.254 4.804 4.550 0.001 0.000 0.340 257 Y C 1.176 176.823 175.900 -0.421 0.000 0.997 257 Y CA -0.644 57.086 58.100 -0.618 0.000 1.149 257 Y CB 1.368 39.153 38.460 -1.123 0.000 1.171 257 Y HN 0.640 nan 8.280 nan 0.000 0.494 258 T N 1.433 115.512 114.554 -0.792 0.000 3.132 258 T HA 0.396 4.747 4.350 0.001 0.000 0.274 258 T C 0.719 174.984 174.700 -0.725 0.000 1.011 258 T CA 0.106 61.870 62.100 -0.561 0.000 0.899 258 T CB -0.451 68.241 68.868 -0.293 0.000 1.089 258 T HN 0.726 nan 8.240 nan 0.000 0.543 259 G N 2.285 110.174 108.800 -1.517 0.000 2.563 259 G HA2 0.585 4.546 3.960 0.001 0.000 0.283 259 G HA3 0.585 4.546 3.960 0.001 0.000 0.283 259 G C -2.788 171.894 174.900 -0.364 0.000 1.309 259 G CA -1.614 42.926 45.100 -0.934 0.000 1.022 259 G HN 0.205 nan 8.290 nan 0.000 0.501 260 P HA 0.148 nan 4.420 nan 0.000 0.272 260 P C 1.111 178.644 177.300 0.389 0.000 1.240 260 P CA -0.324 62.866 63.100 0.149 0.000 0.791 260 P CB 0.931 32.624 31.700 -0.013 0.000 0.978 261 V N -0.711 119.429 119.914 0.378 0.000 2.500 261 V HA -0.099 4.022 4.120 0.001 0.000 0.243 261 V C 1.778 177.914 176.094 0.070 0.000 1.039 261 V CA 1.739 64.254 62.300 0.359 0.000 1.053 261 V CB -1.663 30.439 31.823 0.465 0.000 0.695 261 V HN 0.459 nan 8.190 nan 0.000 0.463 262 D N 2.590 122.857 120.400 -0.222 0.000 2.221 262 D HA -0.159 4.482 4.640 0.001 0.000 0.204 262 D C 1.905 177.871 176.300 -0.557 0.000 0.982 262 D CA 1.871 55.499 54.000 -0.620 0.000 0.857 262 D CB -0.302 40.275 40.800 -0.372 0.000 0.934 262 D HN 0.520 nan 8.370 nan 0.000 0.475 263 A N -0.068 122.469 122.820 -0.473 0.000 1.930 263 A HA 0.034 4.355 4.320 0.001 0.000 0.215 263 A C 1.997 179.336 177.584 -0.408 0.000 1.176 263 A CA 0.624 52.226 52.037 -0.725 0.000 0.632 263 A CB -1.135 17.740 19.000 -0.208 0.000 0.819 263 A HN 0.231 nan 8.150 nan 0.000 0.445 264 F N -0.649 119.045 119.950 -0.428 0.000 2.333 264 F HA -0.033 4.495 4.527 0.001 0.000 0.300 264 F C 0.567 175.916 175.800 -0.752 0.000 1.083 264 F CA 1.053 58.632 58.000 -0.702 0.000 1.395 264 F CB -0.015 38.325 39.000 -1.100 0.000 1.056 264 F HN 0.189 nan 8.300 nan 0.000 0.529 265 F N 0.562 120.514 119.950 0.003 0.000 2.908 265 F HA 0.223 4.751 4.527 0.001 0.000 0.328 265 F C 0.161 175.907 175.800 -0.091 0.000 1.211 265 F CA -0.829 57.174 58.000 0.006 0.000 1.291 265 F CB -0.377 38.748 39.000 0.208 0.000 0.962 265 F HN -0.172 nan 8.300 nan 0.000 0.505 266 D N -0.022 120.277 120.400 -0.168 0.000 2.792 266 D HA -0.301 4.340 4.640 0.001 0.000 0.231 266 D C 0.155 176.496 176.300 0.068 0.000 1.160 266 D CA 1.039 54.960 54.000 -0.131 0.000 0.697 266 D CB -1.758 39.037 40.800 -0.008 0.000 1.070 266 D HN 0.448 nan 8.370 nan 0.000 0.426 267 F N -3.058 117.024 119.950 0.219 0.000 3.091 267 F HA -0.370 4.158 4.527 0.002 0.000 0.288 267 F C 2.333 178.270 175.800 0.229 0.000 0.907 267 F CA 0.493 58.652 58.000 0.265 0.000 1.028 267 F CB -2.703 36.395 39.000 0.163 0.000 1.022 267 F HN 0.455 nan 8.300 nan 0.000 0.665 268 C N -2.720 116.719 119.300 0.232 0.000 2.419 268 C HA -0.129 4.332 4.460 0.001 0.000 0.281 268 C C 2.091 176.957 174.990 -0.208 0.000 1.336 268 C CA 1.110 60.076 59.018 -0.086 0.000 1.770 268 C CB -1.237 26.308 27.740 -0.325 0.000 1.929 268 C HN 0.552 nan 8.230 nan 0.000 0.509 269 Y N 2.188 122.526 120.300 0.065 0.000 2.458 269 Y HA 0.494 5.045 4.550 0.001 0.000 0.256 269 Y C 1.540 177.534 175.900 0.158 0.000 1.159 269 Y CA 0.343 58.404 58.100 -0.065 0.000 1.261 269 Y CB -0.417 37.747 38.460 -0.492 0.000 1.119 269 Y HN 0.705 nan 8.280 nan 0.000 0.524 270 G N 0.373 109.445 108.800 0.454 0.000 2.462 270 G HA2 -0.106 3.855 3.960 0.001 0.000 0.685 270 G HA3 -0.106 3.855 3.960 0.001 0.000 0.685 270 G C -1.359 173.820 174.900 0.465 0.000 1.295 270 G CA -1.312 44.014 45.100 0.376 0.000 0.941 270 G HN 0.035 nan 8.290 nan 0.000 0.554 271 K N 0.275 120.846 120.400 0.286 0.000 2.349 271 K HA 0.539 4.859 4.320 0.001 0.000 0.289 271 K C 0.716 177.467 176.600 0.252 0.000 1.064 271 K CA -0.445 55.994 56.287 0.254 0.000 0.947 271 K CB 0.384 32.941 32.500 0.096 0.000 1.007 271 K HN 0.495 nan 8.250 nan 0.000 0.478 272 L N 8.021 129.395 121.223 0.251 0.000 2.500 272 L HA 0.154 4.495 4.340 0.001 0.000 0.272 272 L C -1.905 175.049 176.870 0.139 0.000 1.149 272 L CA -1.859 53.029 54.840 0.079 0.000 0.897 272 L CB 0.548 42.528 42.059 -0.132 0.000 1.178 272 L HN 0.573 nan 8.230 nan 0.000 0.473 273 P HA 0.024 nan 4.420 nan 0.000 0.262 273 P C -1.414 175.983 177.300 0.163 0.000 1.199 273 P CA 0.534 63.743 63.100 0.183 0.000 0.763 273 P CB 0.144 31.947 31.700 0.172 0.000 0.790 274 Y N 1.929 122.385 120.300 0.259 0.000 2.446 274 Y HA 0.554 5.105 4.550 0.001 0.000 0.345 274 Y C 0.862 176.885 175.900 0.206 0.000 0.984 274 Y CA -0.997 57.254 58.100 0.253 0.000 1.058 274 Y CB 1.851 40.435 38.460 0.207 0.000 1.220 274 Y HN 0.154 nan 8.280 nan 0.000 0.455 275 R N 0.938 121.661 120.500 0.371 0.000 2.500 275 R HA 0.664 5.004 4.340 0.001 0.000 0.277 275 R C -0.495 175.998 176.300 0.320 0.000 1.026 275 R CA -0.172 56.078 56.100 0.250 0.000 1.058 275 R CB 1.408 31.745 30.300 0.062 0.000 1.078 275 R HN 0.694 nan 8.270 nan 0.000 0.509 276 S N 1.762 117.611 115.700 0.249 0.000 2.745 276 S HA 0.781 5.252 4.470 0.001 0.000 0.306 276 S C -1.439 173.304 174.600 0.238 0.000 1.137 276 S CA -0.737 57.673 58.200 0.351 0.000 0.900 276 S CB 0.691 64.027 63.200 0.227 0.000 1.176 276 S HN 0.396 nan 8.310 nan 0.000 0.520 277 L N 1.272 122.620 121.223 0.209 0.000 2.424 277 L HA 0.606 4.947 4.340 0.001 0.000 0.258 277 L C -0.784 175.912 176.870 -0.291 0.000 0.995 277 L CA -0.578 54.137 54.840 -0.207 0.000 0.821 277 L CB 2.176 43.831 42.059 -0.672 0.000 1.383 277 L HN 0.657 nan 8.230 nan 0.000 0.410 278 E N 1.386 121.387 120.200 -0.332 0.000 2.222 278 E HA 0.528 4.879 4.350 0.001 0.000 0.267 278 E C -1.852 174.557 176.600 -0.319 0.000 0.884 278 E CA -0.592 55.656 56.400 -0.253 0.000 0.764 278 E CB 1.637 31.287 29.700 -0.084 0.000 1.169 278 E HN 0.353 nan 8.360 nan 0.000 0.413 279 F N 2.709 122.740 119.950 0.136 0.000 2.444 279 F HA 0.481 5.009 4.527 0.002 0.000 0.342 279 F C 0.484 176.308 175.800 0.040 0.000 1.121 279 F CA -0.883 57.160 58.000 0.070 0.000 0.997 279 F CB 1.517 40.533 39.000 0.026 0.000 1.130 279 F HN 0.203 nan 8.300 nan 0.000 0.454 280 R N 2.948 123.574 120.500 0.209 0.000 2.288 280 R HA 0.325 4.666 4.340 0.001 0.000 0.326 280 R C -0.832 175.518 176.300 0.083 0.000 0.959 280 R CA -0.686 55.502 56.100 0.147 0.000 0.834 280 R CB 0.817 31.201 30.300 0.141 0.000 1.157 280 R HN 0.648 nan 8.270 nan 0.000 0.470 281 H N 2.097 121.269 119.070 0.170 0.000 2.467 281 H HA 0.334 4.891 4.556 0.001 0.000 0.331 281 H C -0.344 175.027 175.328 0.073 0.000 1.120 281 H CA -0.171 55.956 56.048 0.132 0.000 1.270 281 H CB 1.871 31.681 29.762 0.081 0.000 1.466 281 H HN 0.494 nan 8.280 nan 0.000 0.504 282 E N 1.069 121.367 120.200 0.163 0.000 2.331 282 E HA 0.263 4.614 4.350 0.001 0.000 0.275 282 E C -1.049 175.495 176.600 -0.095 0.000 0.895 282 E CA -0.724 55.667 56.400 -0.016 0.000 0.753 282 E CB 2.485 32.161 29.700 -0.041 0.000 1.216 282 E HN 0.418 nan 8.360 nan 0.000 0.434 283 T N 1.838 116.270 114.554 -0.202 0.000 2.792 283 T HA 0.412 4.763 4.350 0.001 0.000 0.280 283 T C -1.063 173.469 174.700 -0.279 0.000 0.990 283 T CA -0.604 61.398 62.100 -0.162 0.000 0.960 283 T CB 0.548 69.365 68.868 -0.084 0.000 0.939 283 T HN 0.325 nan 8.240 nan 0.000 0.439 284 H N 0.761 119.846 119.070 0.025 0.000 2.569 284 H HA 0.343 4.900 4.556 0.001 0.000 0.357 284 H C -0.366 174.977 175.328 0.025 0.000 1.153 284 H CA -0.793 55.272 56.048 0.029 0.000 1.193 284 H CB 1.167 30.950 29.762 0.034 0.000 1.602 284 H HN 0.398 nan 8.280 nan 0.000 0.523 285 D N 1.718 122.215 120.400 0.161 0.000 2.688 285 D HA 0.114 4.754 4.640 0.001 0.000 0.228 285 D C -0.616 175.746 176.300 0.103 0.000 1.116 285 D CA 0.425 54.491 54.000 0.110 0.000 1.023 285 D CB -0.269 40.589 40.800 0.097 0.000 1.100 285 D HN 0.478 nan 8.370 nan 0.000 0.487 286 T N -0.249 114.364 114.554 0.099 0.000 2.786 286 T HA 0.157 4.508 4.350 0.001 0.000 0.316 286 T C 0.664 175.405 174.700 0.068 0.000 1.503 286 T CA -0.519 61.627 62.100 0.075 0.000 1.019 286 T CB 1.181 70.083 68.868 0.057 0.000 1.415 286 T HN 0.067 nan 8.240 nan 0.000 0.496 287 E N 0.525 120.758 120.200 0.056 0.000 2.158 287 E HA 0.051 4.401 4.350 0.001 0.000 0.191 287 E C 0.567 177.178 176.600 0.019 0.000 0.982 287 E CA 0.418 56.846 56.400 0.046 0.000 0.823 287 E CB 0.363 30.089 29.700 0.043 0.000 0.766 287 E HN 0.464 nan 8.360 nan 0.000 0.468 288 Q N 0.370 120.181 119.800 0.019 0.000 2.268 288 Q HA 0.168 4.509 4.340 0.001 0.000 0.266 288 Q C -0.570 175.451 176.000 0.036 0.000 1.006 288 Q CA -0.215 55.595 55.803 0.013 0.000 0.824 288 Q CB 1.784 30.517 28.738 -0.009 0.000 1.306 288 Q HN 0.092 nan 8.270 nan 0.000 0.424 289 L N 3.982 125.235 121.223 0.050 0.000 2.316 289 L HA 0.394 4.735 4.340 0.001 0.000 0.207 289 L C -0.471 176.416 176.870 0.029 0.000 1.070 289 L CA 0.889 55.736 54.840 0.011 0.000 0.820 289 L CB 0.660 42.706 42.059 -0.021 0.000 0.992 289 L HN 0.591 nan 8.230 nan 0.000 0.466 290 L N 0.406 121.685 121.223 0.092 0.000 2.330 290 L HA 0.398 4.739 4.340 0.001 0.000 0.271 290 L C -1.502 175.424 176.870 0.094 0.000 1.013 290 L CA -1.704 53.160 54.840 0.040 0.000 0.816 290 L CB 1.093 43.113 42.059 -0.065 0.000 1.287 290 L HN -0.172 nan 8.230 nan 0.000 0.435 291 P HA -0.019 nan 4.420 nan 0.000 0.229 291 P C 0.422 177.686 177.300 -0.060 0.000 1.160 291 P CA 0.839 63.947 63.100 0.013 0.000 0.777 291 P CB 0.548 32.232 31.700 -0.027 0.000 0.814 292 T N -2.796 111.569 114.554 -0.315 0.000 2.731 292 T HA 0.523 4.873 4.350 0.001 0.000 0.300 292 T C 1.247 175.399 174.700 -0.914 0.000 1.283 292 T CA 0.066 61.843 62.100 -0.537 0.000 1.005 292 T CB 0.829 69.525 68.868 -0.288 0.000 1.420 292 T HN -0.137 nan 8.240 nan 0.000 0.503 293 G N 0.508 108.957 108.800 -0.584 0.000 2.440 293 G HA2 0.110 4.070 3.960 0.001 0.000 0.218 293 G HA3 0.110 4.070 3.960 0.001 0.000 0.218 293 G C 0.375 175.189 174.900 -0.142 0.000 1.154 293 G CA 1.193 46.164 45.100 -0.215 0.000 0.767 293 G HN 0.753 nan 8.290 nan 0.000 0.552 294 T N -0.760 113.663 114.554 -0.218 0.000 2.912 294 T HA 0.517 4.868 4.350 0.001 0.000 0.299 294 T C -1.158 173.407 174.700 -0.226 0.000 1.052 294 T CA -0.479 61.512 62.100 -0.182 0.000 0.996 294 T CB 2.845 71.660 68.868 -0.088 0.000 1.070 294 T HN -0.047 nan 8.240 nan 0.000 0.465 295 V N 3.702 123.513 119.914 -0.171 0.000 2.409 295 V HA 0.468 4.589 4.120 0.001 0.000 0.291 295 V C -0.317 175.690 176.094 -0.145 0.000 1.020 295 V CA -1.004 61.179 62.300 -0.195 0.000 0.848 295 V CB 1.651 33.357 31.823 -0.194 0.000 0.990 295 V HN 0.738 nan 8.190 nan 0.000 0.430 296 N N 2.756 121.345 118.700 -0.186 0.000 2.498 296 N HA 0.468 5.209 4.740 0.001 0.000 0.287 296 N C -1.111 174.307 175.510 -0.155 0.000 1.097 296 N CA -0.221 52.820 53.050 -0.014 0.000 0.973 296 N CB 0.981 39.450 38.487 -0.031 0.000 1.153 296 N HN 0.582 nan 8.380 nan 0.000 0.472 297 Y N 1.452 121.856 120.300 0.173 0.000 2.863 297 Y HA 0.306 4.857 4.550 0.001 0.000 0.348 297 Y C -1.534 174.416 175.900 0.083 0.000 1.028 297 Y CA -1.642 56.520 58.100 0.102 0.000 1.213 297 Y CB 1.533 40.054 38.460 0.103 0.000 1.120 297 Y HN 0.554 nan 8.280 nan 0.000 0.598 298 P HA -0.087 nan 4.420 nan 0.000 0.218 298 P C 0.446 177.762 177.300 0.027 0.000 1.149 298 P CA 1.533 64.723 63.100 0.150 0.000 0.817 298 P CB 0.522 32.224 31.700 0.002 0.000 0.785 299 N N -1.429 117.266 118.700 -0.007 0.000 2.159 299 N HA 0.105 4.846 4.740 0.001 0.000 0.217 299 N C -0.337 175.124 175.510 -0.081 0.000 1.223 299 N CA 0.231 53.247 53.050 -0.057 0.000 0.896 299 N CB 0.993 39.424 38.487 -0.094 0.000 1.064 299 N HN 0.174 nan 8.380 nan 0.000 0.518 300 D N 0.124 120.493 120.400 -0.053 0.000 2.645 300 D HA 0.353 4.994 4.640 0.001 0.000 0.228 300 D C -0.540 175.589 176.300 -0.285 0.000 1.148 300 D CA -0.157 53.699 54.000 -0.240 0.000 0.860 300 D CB 2.090 42.730 40.800 -0.267 0.000 1.548 300 D HN -0.171 nan 8.370 nan 0.000 0.460 301 Y N -0.664 119.424 120.300 -0.354 0.000 2.506 301 Y HA -0.245 4.305 4.550 0.002 0.000 0.020 301 Y C 1.035 176.632 175.900 -0.504 0.000 1.702 301 Y CA 0.084 57.815 58.100 -0.615 0.000 1.419 301 Y CB -1.019 36.598 38.460 -1.406 0.000 2.065 301 Y HN 0.504 nan 8.280 nan 0.000 0.254 302 A N 0.640 123.309 122.820 -0.252 0.000 2.016 302 A HA 0.091 4.412 4.320 0.001 0.000 0.217 302 A C 0.324 177.777 177.584 -0.219 0.000 1.162 302 A CA 1.270 53.246 52.037 -0.103 0.000 0.662 302 A CB -0.652 18.437 19.000 0.149 0.000 0.812 302 A HN 0.654 nan 8.150 nan 0.000 0.450 303 Y N -1.303 118.772 120.300 -0.375 0.000 2.301 303 Y HA 0.459 5.010 4.550 0.001 0.000 0.328 303 Y C 1.479 177.210 175.900 -0.281 0.000 1.242 303 Y CA -0.248 57.495 58.100 -0.595 0.000 1.323 303 Y CB 0.027 37.976 38.460 -0.853 0.000 1.266 303 Y HN 0.048 nan 8.280 nan 0.000 0.527 304 T N -0.861 113.633 114.554 -0.101 0.000 3.009 304 T HA 0.209 4.560 4.350 0.001 0.000 0.258 304 T C 0.282 175.073 174.700 0.152 0.000 1.063 304 T CA 0.419 62.429 62.100 -0.151 0.000 1.139 304 T CB -0.156 68.453 68.868 -0.431 0.000 0.890 304 T HN 0.855 nan 8.240 nan 0.000 0.471 305 R N -0.608 120.004 120.500 0.186 0.000 2.712 305 R HA 0.675 5.016 4.340 0.001 0.000 0.272 305 R C -2.348 173.959 176.300 0.011 0.000 1.032 305 R CA -1.079 55.152 56.100 0.219 0.000 0.874 305 R CB 1.385 31.772 30.300 0.145 0.000 1.256 305 R HN 0.020 nan 8.270 nan 0.000 0.468 306 V N 0.600 120.464 119.914 -0.083 0.000 2.656 306 V HA 0.634 4.755 4.120 0.001 0.000 0.307 306 V C -0.521 175.385 176.094 -0.313 0.000 1.051 306 V CA -0.765 61.283 62.300 -0.419 0.000 0.893 306 V CB 2.021 33.490 31.823 -0.590 0.000 0.999 306 V HN 0.857 nan 8.190 nan 0.000 0.426 307 S N 2.196 117.657 115.700 -0.398 0.000 2.568 307 S HA 0.618 5.089 4.470 0.001 0.000 0.293 307 S C -0.843 173.466 174.600 -0.485 0.000 1.089 307 S CA -0.709 57.252 58.200 -0.398 0.000 0.945 307 S CB 2.179 65.116 63.200 -0.438 0.000 1.077 307 S HN 0.863 nan 8.310 nan 0.000 0.485 308 E N 1.263 121.254 120.200 -0.349 0.000 2.186 308 E HA 0.355 4.706 4.350 0.001 0.000 0.255 308 E C -0.467 176.042 176.600 -0.152 0.000 0.881 308 E CA -0.414 55.879 56.400 -0.178 0.000 0.752 308 E CB 0.427 30.196 29.700 0.116 0.000 1.176 308 E HN 0.580 nan 8.360 nan 0.000 0.421 309 F N 3.174 123.090 119.950 -0.056 0.000 2.171 309 F HA -0.124 4.404 4.527 0.002 0.000 0.300 309 F C 2.039 177.767 175.800 -0.120 0.000 1.090 309 F CA 0.947 58.857 58.000 -0.149 0.000 1.293 309 F CB 0.036 38.883 39.000 -0.256 0.000 1.013 309 F HN 0.447 nan 8.300 nan 0.000 0.486 310 K N -0.527 119.909 120.400 0.059 0.000 2.160 310 K HA -0.217 4.104 4.320 0.001 0.000 0.206 310 K C 1.850 178.415 176.600 -0.059 0.000 1.047 310 K CA 1.419 57.691 56.287 -0.025 0.000 0.930 310 K CB -0.409 32.053 32.500 -0.063 0.000 0.720 310 K HN 0.389 nan 8.250 nan 0.000 0.450 311 H N 0.322 119.381 119.070 -0.018 0.000 2.352 311 H HA -0.117 4.440 4.556 0.001 0.000 0.299 311 H C 2.129 177.349 175.328 -0.179 0.000 1.097 311 H CA 1.581 57.637 56.048 0.013 0.000 1.311 311 H CB -0.029 29.785 29.762 0.088 0.000 1.377 311 H HN 0.216 nan 8.280 nan 0.000 0.504 312 I N 0.296 120.766 120.570 -0.167 0.000 2.480 312 I HA -0.142 4.029 4.170 0.001 0.000 0.251 312 I C 2.640 178.519 176.117 -0.398 0.000 1.124 312 I CA 1.388 62.331 61.300 -0.594 0.000 1.444 312 I CB -0.136 37.753 38.000 -0.185 0.000 1.098 312 I HN 0.259 nan 8.210 nan 0.000 0.428 313 T N -2.126 112.343 114.554 -0.141 0.000 3.035 313 T HA 0.178 4.529 4.350 0.001 0.000 0.259 313 T C 1.675 176.345 174.700 -0.051 0.000 1.078 313 T CA 0.713 62.771 62.100 -0.070 0.000 1.132 313 T CB 0.265 69.107 68.868 -0.045 0.000 0.900 313 T HN 0.477 nan 8.240 nan 0.000 0.480 314 G N 1.308 110.081 108.800 -0.046 0.000 2.136 314 G HA2 -0.265 3.696 3.960 0.001 0.000 0.242 314 G HA3 -0.265 3.696 3.960 0.001 0.000 0.242 314 G C -0.195 174.715 174.900 0.017 0.000 0.989 314 G CA 0.261 45.359 45.100 -0.002 0.000 0.682 314 G HN 0.945 nan 8.290 nan 0.000 0.522 315 Q N -0.050 119.760 119.800 0.016 0.000 2.293 315 Q HA 0.478 4.819 4.340 0.001 0.000 0.251 315 Q C 0.599 176.641 176.000 0.070 0.000 0.930 315 Q CA -0.654 55.182 55.803 0.055 0.000 0.893 315 Q CB 0.558 29.332 28.738 0.060 0.000 1.215 315 Q HN 0.517 nan 8.270 nan 0.000 0.425 316 R N 2.884 123.445 120.500 0.101 0.000 2.404 316 R HA 0.309 4.650 4.340 0.001 0.000 0.291 316 R C -1.328 175.093 176.300 0.201 0.000 1.025 316 R CA -0.269 55.898 56.100 0.111 0.000 0.991 316 R CB 0.885 31.233 30.300 0.080 0.000 1.053 316 R HN 0.772 nan 8.270 nan 0.000 0.479 317 H N 2.634 121.738 119.070 0.057 0.000 3.114 317 H HA 0.024 4.581 4.556 0.001 0.000 0.325 317 H C 0.211 175.578 175.328 0.066 0.000 1.206 317 H CA -0.459 55.635 56.048 0.076 0.000 1.316 317 H CB 0.888 30.646 29.762 -0.008 0.000 1.981 317 H HN 0.973 nan 8.280 nan 0.000 0.527 318 H N 1.916 120.926 119.070 -0.100 0.000 2.456 318 H HA 0.017 4.574 4.556 0.001 0.000 0.296 318 H C -0.115 175.294 175.328 0.135 0.000 1.079 318 H CA 0.663 56.710 56.048 -0.002 0.000 1.322 318 H CB 0.556 30.274 29.762 -0.073 0.000 1.388 318 H HN 0.451 nan 8.280 nan 0.000 0.538 319 Q N -0.147 119.624 119.800 -0.049 0.000 2.712 319 Q HA 0.539 4.880 4.340 0.001 0.000 0.267 319 Q C -0.654 175.377 176.000 0.051 0.000 1.062 319 Q CA -0.837 54.983 55.803 0.028 0.000 0.888 319 Q CB 2.421 31.119 28.738 -0.066 0.000 1.374 319 Q HN 0.146 nan 8.270 nan 0.000 0.498 320 T N -0.300 114.259 114.554 0.009 0.000 2.923 320 T HA 0.462 4.813 4.350 0.001 0.000 0.311 320 T C -1.490 173.216 174.700 0.009 0.000 1.183 320 T CA -0.391 61.704 62.100 -0.008 0.000 1.020 320 T CB 1.571 70.462 68.868 0.038 0.000 1.165 320 T HN 0.413 nan 8.240 nan 0.000 0.482 321 S N 1.855 117.559 115.700 0.007 0.000 2.473 321 S HA 0.790 5.261 4.470 0.001 0.000 0.307 321 S C -0.315 174.368 174.600 0.138 0.000 1.094 321 S CA -0.643 57.598 58.200 0.068 0.000 1.070 321 S CB 1.316 64.541 63.200 0.043 0.000 1.019 321 S HN 0.835 nan 8.310 nan 0.000 0.480 322 V N 0.909 120.893 119.914 0.116 0.000 3.126 322 V HA 0.959 5.080 4.120 0.001 0.000 0.314 322 V C -0.782 175.308 176.094 -0.008 0.000 1.138 322 V CA -0.773 61.508 62.300 -0.031 0.000 1.034 322 V CB 1.811 33.579 31.823 -0.092 0.000 1.075 322 V HN 0.573 nan 8.190 nan 0.000 0.442 323 V N 1.878 121.652 119.914 -0.232 0.000 2.686 323 V HA 0.622 4.742 4.120 0.001 0.000 0.306 323 V C -1.618 174.287 176.094 -0.315 0.000 1.065 323 V CA -0.419 61.754 62.300 -0.211 0.000 0.894 323 V CB 1.904 33.611 31.823 -0.194 0.000 1.004 323 V HN 0.876 nan 8.190 nan 0.000 0.424 324 Y N 4.174 124.368 120.300 -0.177 0.000 2.326 324 Y HA 0.511 5.062 4.550 0.002 0.000 0.337 324 Y C 0.691 176.531 175.900 -0.100 0.000 1.023 324 Y CA -0.307 57.626 58.100 -0.277 0.000 1.143 324 Y CB 1.315 39.497 38.460 -0.464 0.000 1.183 324 Y HN 0.564 nan 8.280 nan 0.000 0.485 325 E N 3.499 123.681 120.200 -0.030 0.000 2.156 325 E HA 0.258 4.609 4.350 0.001 0.000 0.279 325 E C -1.595 174.923 176.600 -0.137 0.000 0.965 325 E CA -0.704 55.694 56.400 -0.003 0.000 0.789 325 E CB 1.088 30.807 29.700 0.032 0.000 1.098 325 E HN 0.504 nan 8.360 nan 0.000 0.397 326 Y N 2.599 122.843 120.300 -0.092 0.000 2.328 326 Y HA 0.274 4.824 4.550 0.001 0.000 0.336 326 Y C -2.216 173.602 175.900 -0.137 0.000 0.960 326 Y CA -2.899 55.161 58.100 -0.066 0.000 1.134 326 Y CB 1.271 39.710 38.460 -0.035 0.000 1.166 326 Y HN 0.398 nan 8.280 nan 0.000 0.464 327 P HA 0.177 nan 4.420 nan 0.000 0.268 327 P C -0.522 176.774 177.300 -0.006 0.000 1.205 327 P CA -0.077 62.979 63.100 -0.073 0.000 0.771 327 P CB 0.699 32.318 31.700 -0.135 0.000 0.858 328 R N 1.996 122.498 120.500 0.003 0.000 2.621 328 R HA 0.482 4.822 4.340 0.001 0.000 0.284 328 R C 0.670 177.004 176.300 0.057 0.000 0.998 328 R CA -0.849 55.272 56.100 0.035 0.000 0.895 328 R CB 1.880 32.205 30.300 0.042 0.000 1.195 328 R HN 0.395 nan 8.270 nan 0.000 0.450 329 A N 1.494 124.348 122.820 0.057 0.000 2.014 329 A HA -0.051 4.270 4.320 0.001 0.000 0.218 329 A C 0.390 178.026 177.584 0.085 0.000 1.163 329 A CA 1.300 53.382 52.037 0.075 0.000 0.652 329 A CB 0.119 19.157 19.000 0.064 0.000 0.808 329 A HN 0.555 nan 8.150 nan 0.000 0.449 330 E N -2.288 117.953 120.200 0.070 0.000 2.266 330 E HA 0.572 4.923 4.350 0.001 0.000 0.268 330 E C 0.019 176.659 176.600 0.067 0.000 0.879 330 E CA 0.564 57.001 56.400 0.063 0.000 0.762 330 E CB 1.879 31.604 29.700 0.042 0.000 1.199 330 E HN 0.628 nan 8.360 nan 0.000 0.422 331 G N 2.424 111.261 108.800 0.061 0.000 2.320 331 G HA2 -0.007 3.954 3.960 0.001 0.000 0.274 331 G HA3 -0.007 3.954 3.960 0.001 0.000 0.274 331 G C -1.370 173.539 174.900 0.016 0.000 1.324 331 G CA -0.957 44.179 45.100 0.060 0.000 0.957 331 G HN 0.476 nan 8.290 nan 0.000 0.481 332 D N 2.383 122.771 120.400 -0.021 0.000 2.443 332 D HA 0.390 5.031 4.640 0.001 0.000 0.239 332 D C -1.800 174.300 176.300 -0.333 0.000 1.136 332 D CA -0.140 53.740 54.000 -0.199 0.000 0.879 332 D CB 1.024 41.656 40.800 -0.281 0.000 1.195 332 D HN 0.232 nan 8.370 nan 0.000 0.443 333 P HA 0.088 nan 4.420 nan 0.000 0.282 333 P C -0.460 176.599 177.300 -0.401 0.000 1.262 333 P CA 0.096 63.003 63.100 -0.321 0.000 0.773 333 P CB 0.538 31.835 31.700 -0.672 0.000 0.879 334 Y N 1.705 122.038 120.300 0.055 0.000 2.673 334 Y HA 0.200 4.751 4.550 0.001 0.000 0.278 334 Y C 0.522 176.289 175.900 -0.222 0.000 1.127 334 Y CA 0.242 58.283 58.100 -0.098 0.000 1.261 334 Y CB 0.301 38.680 38.460 -0.135 0.000 1.412 334 Y HN 0.198 nan 8.280 nan 0.000 0.496 335 Y N 1.398 121.823 120.300 0.207 0.000 2.328 335 Y HA 0.423 4.974 4.550 0.002 0.000 0.336 335 Y C -2.614 173.335 175.900 0.081 0.000 0.960 335 Y CA -3.500 54.599 58.100 -0.001 0.000 1.134 335 Y CB 0.922 39.215 38.460 -0.278 0.000 1.166 335 Y HN -0.154 nan 8.280 nan 0.000 0.464 336 P HA 0.049 nan 4.420 nan 0.000 0.271 336 P C -0.687 176.537 177.300 -0.126 0.000 1.216 336 P CA -0.187 62.632 63.100 -0.469 0.000 0.776 336 P CB 0.832 31.881 31.700 -1.085 0.000 0.881 337 V N 5.459 125.348 119.914 -0.041 0.000 2.304 337 V HA 0.213 4.334 4.120 0.001 0.000 0.262 337 V C -2.087 173.969 176.094 -0.063 0.000 1.061 337 V CA -1.655 60.706 62.300 0.103 0.000 0.872 337 V CB 0.624 32.574 31.823 0.212 0.000 1.077 337 V HN 0.491 nan 8.190 nan 0.000 0.480 338 P HA 0.329 nan 4.420 nan 0.000 0.277 338 P C -0.363 176.877 177.300 -0.100 0.000 1.354 338 P CA -0.044 62.979 63.100 -0.129 0.000 0.891 338 P CB 0.186 31.815 31.700 -0.119 0.000 1.058 339 R N 2.829 123.316 120.500 -0.021 0.000 2.710 339 R HA 0.476 4.817 4.340 0.001 0.000 0.270 339 R C -2.713 173.606 176.300 0.032 0.000 1.021 339 R CA -1.993 54.101 56.100 -0.011 0.000 0.889 339 R CB 0.022 30.311 30.300 -0.019 0.000 1.243 339 R HN -0.094 nan 8.270 nan 0.000 0.464 340 P HA -0.308 nan 4.420 nan 0.000 0.216 340 P C 0.672 178.001 177.300 0.049 0.000 1.167 340 P CA 2.238 65.357 63.100 0.033 0.000 0.914 340 P CB 0.031 31.742 31.700 0.018 0.000 0.793 341 E N -1.099 119.128 120.200 0.046 0.000 2.160 341 E HA -0.218 4.133 4.350 0.001 0.000 0.195 341 E C 1.625 178.270 176.600 0.076 0.000 0.991 341 E CA 1.199 57.631 56.400 0.052 0.000 0.810 341 E CB -0.925 28.804 29.700 0.049 0.000 0.742 341 E HN 0.273 nan 8.360 nan 0.000 0.466 342 N N 1.082 119.843 118.700 0.102 0.000 2.250 342 N HA 0.001 4.742 4.740 0.001 0.000 0.181 342 N C 1.787 177.409 175.510 0.187 0.000 1.017 342 N CA 1.308 54.446 53.050 0.147 0.000 0.866 342 N CB -0.328 38.285 38.487 0.212 0.000 0.985 342 N HN 0.297 nan 8.380 nan 0.000 0.429 343 A N 1.178 124.107 122.820 0.183 0.000 1.902 343 A HA -0.173 4.148 4.320 0.001 0.000 0.217 343 A C 2.172 179.855 177.584 0.164 0.000 1.181 343 A CA 1.703 53.867 52.037 0.213 0.000 0.623 343 A CB -0.559 18.531 19.000 0.150 0.000 0.818 343 A HN 0.272 nan 8.150 nan 0.000 0.443 344 E N 0.404 120.659 120.200 0.093 0.000 2.035 344 E HA -0.230 4.121 4.350 0.001 0.000 0.204 344 E C 1.855 178.464 176.600 0.016 0.000 1.025 344 E CA 1.813 58.235 56.400 0.037 0.000 0.835 344 E CB -0.659 29.052 29.700 0.019 0.000 0.764 344 E HN 0.505 nan 8.360 nan 0.000 0.457 345 L N -0.489 120.762 121.223 0.047 0.000 1.971 345 L HA -0.254 4.087 4.340 0.001 0.000 0.215 345 L C 2.504 179.435 176.870 0.102 0.000 1.072 345 L CA 2.195 57.066 54.840 0.053 0.000 0.758 345 L CB -0.626 41.502 42.059 0.115 0.000 0.889 345 L HN 0.391 nan 8.230 nan 0.000 0.433 346 Y N 1.024 121.332 120.300 0.013 0.000 2.181 346 Y HA -0.387 4.164 4.550 0.001 0.000 0.284 346 Y C 2.625 178.567 175.900 0.070 0.000 1.179 346 Y CA 2.298 60.418 58.100 0.034 0.000 1.179 346 Y CB -0.393 38.042 38.460 -0.041 0.000 0.973 346 Y HN 0.176 nan 8.280 nan 0.000 0.519 347 K N 0.583 120.932 120.400 -0.086 0.000 2.059 347 K HA -0.274 4.047 4.320 0.001 0.000 0.212 347 K C 2.013 178.427 176.600 -0.311 0.000 1.050 347 K CA 2.468 58.639 56.287 -0.192 0.000 0.927 347 K CB -0.152 32.296 32.500 -0.086 0.000 0.714 347 K HN 0.412 nan 8.250 nan 0.000 0.447 348 K N -0.534 119.648 120.400 -0.363 0.000 2.026 348 K HA -0.183 4.138 4.320 0.001 0.000 0.208 348 K C 2.246 178.584 176.600 -0.437 0.000 1.048 348 K CA 1.774 57.719 56.287 -0.570 0.000 0.929 348 K CB -0.557 31.288 32.500 -1.092 0.000 0.713 348 K HN 0.279 nan 8.250 nan 0.000 0.439 349 Y N 1.913 122.074 120.300 -0.233 0.000 2.315 349 Y HA -0.187 4.364 4.550 0.001 0.000 0.288 349 Y C 2.568 178.307 175.900 -0.269 0.000 1.154 349 Y CA 1.257 59.311 58.100 -0.077 0.000 1.229 349 Y CB -0.100 38.418 38.460 0.097 0.000 0.980 349 Y HN 0.270 nan 8.280 nan 0.000 0.540 350 E N 0.102 120.079 120.200 -0.371 0.000 2.150 350 E HA -0.177 4.174 4.350 0.001 0.000 0.193 350 E C 2.275 178.715 176.600 -0.266 0.000 0.985 350 E CA 0.753 56.902 56.400 -0.420 0.000 0.814 350 E CB -0.091 29.266 29.700 -0.570 0.000 0.752 350 E HN 0.440 nan 8.360 nan 0.000 0.466 351 A N 0.752 123.424 122.820 -0.246 0.000 1.898 351 A HA -0.127 4.193 4.320 0.001 0.000 0.216 351 A C 2.100 179.562 177.584 -0.204 0.000 1.181 351 A CA 0.966 52.887 52.037 -0.194 0.000 0.620 351 A CB -0.534 18.355 19.000 -0.186 0.000 0.819 351 A HN 0.280 nan 8.150 nan 0.000 0.442 352 L N -0.649 120.396 121.223 -0.298 0.000 2.141 352 L HA -0.143 4.198 4.340 0.001 0.000 0.209 352 L C 3.016 179.750 176.870 -0.227 0.000 1.094 352 L CA 0.958 55.533 54.840 -0.442 0.000 0.763 352 L CB -0.470 40.889 42.059 -1.167 0.000 0.908 352 L HN 0.407 nan 8.230 nan 0.000 0.437 353 A N -0.098 122.577 122.820 -0.242 0.000 1.902 353 A HA -0.252 4.069 4.320 0.001 0.000 0.217 353 A C 1.886 179.265 177.584 -0.342 0.000 1.181 353 A CA 2.269 53.978 52.037 -0.547 0.000 0.623 353 A CB -0.549 17.913 19.000 -0.896 0.000 0.818 353 A HN 0.362 nan 8.150 nan 0.000 0.443 354 D N -0.720 119.569 120.400 -0.186 0.000 2.249 354 D HA 0.187 4.827 4.640 0.001 0.000 0.205 354 D C 2.128 178.422 176.300 -0.010 0.000 0.962 354 D CA 0.998 54.957 54.000 -0.068 0.000 0.860 354 D CB -0.127 40.641 40.800 -0.053 0.000 0.955 354 D HN 0.400 nan 8.370 nan 0.000 0.505 355 A N 0.837 123.643 122.820 -0.024 0.000 1.972 355 A HA 0.108 4.429 4.320 0.001 0.000 0.219 355 A C 1.465 179.095 177.584 0.077 0.000 1.169 355 A CA 1.017 53.061 52.037 0.012 0.000 0.635 355 A CB -0.719 18.270 19.000 -0.019 0.000 0.810 355 A HN 0.235 nan 8.150 nan 0.000 0.446 356 A N 1.182 124.084 122.820 0.137 0.000 2.546 356 A HA 0.408 4.729 4.320 0.001 0.000 0.243 356 A C 0.483 178.164 177.584 0.162 0.000 1.063 356 A CA -0.050 52.124 52.037 0.228 0.000 0.757 356 A CB 0.033 19.269 19.000 0.393 0.000 0.991 356 A HN 0.577 nan 8.150 nan 0.000 0.503 357 Q N 1.829 121.710 119.800 0.135 0.000 2.241 357 Q HA 0.252 4.593 4.340 0.001 0.000 0.254 357 Q C -0.619 175.403 176.000 0.037 0.000 0.917 357 Q CA -0.454 55.399 55.803 0.084 0.000 0.919 357 Q CB 0.811 29.586 28.738 0.062 0.000 1.237 357 Q HN 0.735 nan 8.270 nan 0.000 0.434 358 D N 0.424 120.817 120.400 -0.013 0.000 2.689 358 D HA -0.159 4.482 4.640 0.001 0.000 0.237 358 D C -1.098 174.896 176.300 -0.509 0.000 1.148 358 D CA 0.899 54.737 54.000 -0.270 0.000 0.656 358 D CB -0.796 39.929 40.800 -0.124 0.000 1.050 358 D HN 0.459 nan 8.370 nan 0.000 0.426 359 V N 0.430 120.188 119.914 -0.260 0.000 2.663 359 V HA 0.250 4.371 4.120 0.001 0.000 0.286 359 V C -0.322 175.855 176.094 0.138 0.000 1.085 359 V CA -0.316 61.905 62.300 -0.131 0.000 0.916 359 V CB 1.990 33.784 31.823 -0.048 0.000 1.039 359 V HN 0.083 nan 8.190 nan 0.000 0.453 360 T N 7.695 122.358 114.554 0.182 0.000 2.817 360 T HA 0.584 4.935 4.350 0.001 0.000 0.293 360 T C -0.596 174.230 174.700 0.209 0.000 0.964 360 T CA 0.180 62.468 62.100 0.314 0.000 1.085 360 T CB 0.555 69.615 68.868 0.319 0.000 0.921 360 T HN 0.447 nan 8.240 nan 0.000 0.502 361 F N 2.534 122.527 119.950 0.072 0.000 2.385 361 F HA 0.565 5.093 4.527 0.001 0.000 0.360 361 F C 0.205 176.067 175.800 0.104 0.000 1.122 361 F CA -1.180 56.867 58.000 0.078 0.000 1.090 361 F CB 1.124 40.184 39.000 0.100 0.000 1.150 361 F HN 0.227 nan 8.300 nan 0.000 0.472 362 V N 3.544 123.567 119.914 0.182 0.000 2.612 362 V HA 0.935 5.056 4.120 0.001 0.000 0.301 362 V C -0.497 175.662 176.094 0.109 0.000 1.059 362 V CA 0.243 62.634 62.300 0.152 0.000 0.886 362 V CB 1.124 33.009 31.823 0.104 0.000 1.007 362 V HN 1.061 nan 8.190 nan 0.000 0.426 363 G N 5.292 114.199 108.800 0.177 0.000 2.359 363 G HA2 0.057 4.018 3.960 0.001 0.000 0.314 363 G HA3 0.057 4.018 3.960 0.001 0.000 0.314 363 G C -0.025 175.034 174.900 0.265 0.000 1.364 363 G CA -0.060 45.147 45.100 0.178 0.000 0.978 363 G HN 0.986 nan 8.290 nan 0.000 0.615 364 R N -0.543 120.113 120.500 0.261 0.000 2.081 364 R HA 0.023 4.364 4.340 0.001 0.000 0.235 364 R C 2.130 178.549 176.300 0.199 0.000 1.131 364 R CA 2.052 58.296 56.100 0.240 0.000 0.960 364 R CB -0.330 30.099 30.300 0.216 0.000 0.856 364 R HN 0.510 nan 8.270 nan 0.000 0.436 365 L N -0.316 121.005 121.223 0.164 0.000 2.162 365 L HA 0.093 4.434 4.340 0.001 0.000 0.205 365 L C 2.727 179.762 176.870 0.274 0.000 1.086 365 L CA 0.777 55.737 54.840 0.200 0.000 0.778 365 L CB -0.500 41.556 42.059 -0.005 0.000 0.928 365 L HN 0.230 nan 8.230 nan 0.000 0.446 366 A N 0.527 123.465 122.820 0.197 0.000 1.908 366 A HA -0.207 4.114 4.320 0.001 0.000 0.218 366 A C 2.217 180.075 177.584 0.456 0.000 1.181 366 A CA 2.453 54.679 52.037 0.316 0.000 0.627 366 A CB -0.855 18.271 19.000 0.210 0.000 0.818 366 A HN 0.496 nan 8.150 nan 0.000 0.445 367 T N -7.282 107.489 114.554 0.361 0.000 3.092 367 T HA 0.243 4.594 4.350 0.001 0.000 0.258 367 T C 0.317 175.039 174.700 0.037 0.000 1.031 367 T CA 0.301 62.606 62.100 0.340 0.000 0.925 367 T CB -0.234 68.831 68.868 0.328 0.000 1.036 367 T HN 0.783 nan 8.240 nan 0.000 0.544 368 Y N 2.286 122.532 120.300 -0.089 0.000 3.125 368 Y HA -0.270 4.281 4.550 0.001 0.000 0.200 368 Y C -0.334 175.383 175.900 -0.306 0.000 1.373 368 Y CA -0.096 57.843 58.100 -0.270 0.000 1.180 368 Y CB -1.926 36.115 38.460 -0.699 0.000 1.381 368 Y HN 0.471 nan 8.280 nan 0.000 0.501 369 R N 0.643 120.978 120.500 -0.274 0.000 2.744 369 R HA 0.373 4.714 4.340 0.001 0.000 0.279 369 R C -1.209 174.906 176.300 -0.308 0.000 0.977 369 R CA -1.162 54.684 56.100 -0.423 0.000 0.906 369 R CB 1.089 30.958 30.300 -0.718 0.000 1.197 369 R HN 0.101 nan 8.270 nan 0.000 0.463 370 Y N 3.147 123.237 120.300 -0.349 0.000 2.594 370 Y HA 0.187 4.738 4.550 0.001 0.000 0.344 370 Y C -1.139 174.720 175.900 -0.069 0.000 1.185 370 Y CA -0.748 57.295 58.100 -0.095 0.000 1.565 370 Y CB -0.337 38.141 38.460 0.030 0.000 1.415 370 Y HN 0.380 nan 8.280 nan 0.000 0.488 371 Y N 2.261 122.746 120.300 0.309 0.000 2.420 371 Y HA 0.357 4.908 4.550 0.002 0.000 0.334 371 Y C 0.441 176.439 175.900 0.164 0.000 1.094 371 Y CA -1.518 56.687 58.100 0.175 0.000 1.126 371 Y CB 1.067 39.602 38.460 0.126 0.000 1.217 371 Y HN 0.369 nan 8.280 nan 0.000 0.462 372 N N 1.892 120.758 118.700 0.277 0.000 2.495 372 N HA 0.249 4.990 4.740 0.001 0.000 0.280 372 N C 1.051 176.573 175.510 0.019 0.000 1.168 372 N CA -0.323 52.804 53.050 0.127 0.000 0.978 372 N CB 0.876 39.366 38.487 0.004 0.000 1.191 372 N HN 0.708 nan 8.380 nan 0.000 0.497 373 M N 0.385 119.966 119.600 -0.031 0.000 2.088 373 M HA -0.247 4.233 4.480 0.001 0.000 0.256 373 M C 1.458 177.580 176.300 -0.298 0.000 1.071 373 M CA 1.782 56.939 55.300 -0.239 0.000 1.097 373 M CB -0.369 32.100 32.600 -0.219 0.000 1.315 373 M HN 0.597 nan 8.290 nan 0.000 0.406 374 D N -0.195 120.096 120.400 -0.181 0.000 2.178 374 D HA -0.202 4.439 4.640 0.001 0.000 0.201 374 D C 1.661 177.894 176.300 -0.112 0.000 0.980 374 D CA 1.445 55.400 54.000 -0.074 0.000 0.842 374 D CB -0.534 40.144 40.800 -0.204 0.000 0.948 374 D HN 0.533 nan 8.370 nan 0.000 0.472 375 Q N 0.309 120.022 119.800 -0.146 0.000 2.046 375 Q HA -0.052 4.289 4.340 0.001 0.000 0.200 375 Q C 2.693 178.529 176.000 -0.273 0.000 0.975 375 Q CA 1.103 56.789 55.803 -0.195 0.000 0.836 375 Q CB 0.035 28.663 28.738 -0.184 0.000 0.896 375 Q HN 0.171 nan 8.270 nan 0.000 0.428 376 V N 0.508 120.295 119.914 -0.211 0.000 2.287 376 V HA -0.273 3.848 4.120 0.001 0.000 0.248 376 V C 2.294 178.344 176.094 -0.074 0.000 1.053 376 V CA 1.630 63.851 62.300 -0.132 0.000 1.027 376 V CB -0.612 31.229 31.823 0.031 0.000 0.646 376 V HN 0.201 nan 8.190 nan 0.000 0.447 377 V N 0.303 120.174 119.914 -0.072 0.000 2.282 377 V HA -0.329 3.792 4.120 0.001 0.000 0.249 377 V C 2.703 178.767 176.094 -0.051 0.000 1.057 377 V CA 2.293 64.586 62.300 -0.011 0.000 1.032 377 V CB -1.218 30.617 31.823 0.019 0.000 0.645 377 V HN 0.590 nan 8.190 nan 0.000 0.447 378 A N -1.504 121.276 122.820 -0.066 0.000 1.933 378 A HA -0.271 4.050 4.320 0.001 0.000 0.218 378 A C 2.237 179.776 177.584 -0.075 0.000 1.175 378 A CA 1.912 53.909 52.037 -0.066 0.000 0.628 378 A CB -0.484 18.480 19.000 -0.059 0.000 0.814 378 A HN 0.585 nan 8.150 nan 0.000 0.444 379 Q N -0.712 119.022 119.800 -0.109 0.000 2.020 379 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 379 Q C 2.448 178.433 176.000 -0.027 0.000 0.982 379 Q CA 1.596 57.346 55.803 -0.088 0.000 0.838 379 Q CB -0.328 28.316 28.738 -0.157 0.000 0.899 379 Q HN 0.640 nan 8.270 nan 0.000 0.423 380 A N 0.904 123.711 122.820 -0.021 0.000 1.883 380 A HA -0.192 4.129 4.320 0.001 0.000 0.217 380 A C 2.102 179.687 177.584 0.001 0.000 1.186 380 A CA 1.209 53.247 52.037 0.001 0.000 0.624 380 A CB -0.883 18.118 19.000 0.001 0.000 0.822 380 A HN 0.408 nan 8.150 nan 0.000 0.444 381 L N -0.951 120.238 121.223 -0.056 0.000 2.081 381 L HA -0.269 4.072 4.340 0.001 0.000 0.212 381 L C 3.066 179.970 176.870 0.057 0.000 1.080 381 L CA 1.170 55.980 54.840 -0.050 0.000 0.754 381 L CB -0.495 41.474 42.059 -0.151 0.000 0.893 381 L HN 0.500 nan 8.230 nan 0.000 0.433 382 A N -0.947 121.886 122.820 0.022 0.000 1.897 382 A HA -0.163 4.158 4.320 0.001 0.000 0.215 382 A C 2.323 179.931 177.584 0.040 0.000 1.181 382 A CA 2.022 54.074 52.037 0.025 0.000 0.620 382 A CB -0.787 18.218 19.000 0.009 0.000 0.821 382 A HN 0.327 nan 8.150 nan 0.000 0.443 383 T N -0.490 114.099 114.554 0.058 0.000 2.759 383 T HA -0.151 4.200 4.350 0.001 0.000 0.269 383 T C 1.559 176.307 174.700 0.079 0.000 1.042 383 T CA 1.641 63.783 62.100 0.070 0.000 1.140 383 T CB -0.419 68.498 68.868 0.082 0.000 0.864 383 T HN 0.503 nan 8.240 nan 0.000 0.455 384 F N 2.180 122.099 119.950 -0.052 0.000 2.202 384 F HA -0.072 4.456 4.527 0.001 0.000 0.301 384 F C 2.221 177.995 175.800 -0.044 0.000 1.082 384 F CA 1.153 59.111 58.000 -0.069 0.000 1.313 384 F CB -0.229 38.718 39.000 -0.089 0.000 1.024 384 F HN -0.024 nan 8.300 nan 0.000 0.495 385 R N -0.175 120.178 120.500 -0.244 0.000 2.073 385 R HA -0.041 4.300 4.340 0.001 0.000 0.229 385 R C 2.467 178.651 176.300 -0.193 0.000 1.120 385 R CA 1.147 57.065 56.100 -0.303 0.000 0.967 385 R CB -0.262 29.957 30.300 -0.135 0.000 0.862 385 R HN 0.264 nan 8.270 nan 0.000 0.436 386 R N 0.384 120.829 120.500 -0.091 0.000 2.070 386 R HA -0.132 4.209 4.340 0.001 0.000 0.232 386 R C 2.165 178.431 176.300 -0.058 0.000 1.138 386 R CA 1.285 57.358 56.100 -0.045 0.000 0.936 386 R CB -0.568 29.738 30.300 0.010 0.000 0.839 386 R HN 0.052 nan 8.270 nan 0.000 0.429 387 L N 1.313 122.504 121.223 -0.052 0.000 2.211 387 L HA -0.218 4.123 4.340 0.001 0.000 0.216 387 L C 1.140 177.962 176.870 -0.080 0.000 1.092 387 L CA 1.732 56.543 54.840 -0.048 0.000 0.767 387 L CB -0.672 41.372 42.059 -0.025 0.000 0.894 387 L HN 0.250 nan 8.230 nan 0.000 0.437 388 Q N 0.000 119.695 119.800 -0.175 0.000 2.315 388 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 388 Q CA 0.000 55.701 55.803 -0.170 0.000 1.022 388 Q CB 0.000 28.549 28.738 -0.316 0.000 1.108 388 Q HN 0.000 nan 8.270 nan 0.000 0.481