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 3g5n_1_B DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPSPL PVLGNLLQMD RKGLLRSFLR LREKYGDVFT VYLGSRPVVV DATA SEQUENCE LCGTDAIREA LVDQAEAFSG RGKIAVVDPI FQGYGVIFAN GERWRALRRF DATA SEQUENCE SLATMRDXXX XKRSVEERIQ EEARCLVEEL RKSKGALLDN TLLFHSITSN DATA SEQUENCE IICSIVFGKR FDYKDPVFLR LLDLFFQSFS LISSFSSQVF ELFSGFLKYF DATA SEQUENCE PGTHRQIYRN LQEINTFIGQ SVEKHRATLD PSNPRDFIDV YLLRMEXXXX DATA SEQUENCE XXXXXXHHQN LILTVLSLFF AGTETTSTTL RYGFLLMLKY PHVTERVQKE DATA SEQUENCE IEQVIGSHRP PALDDRAKMP YTDAVIHEIQ RLGDLIPFGV PHTVTKDTQF DATA SEQUENCE RGYVIPKNTE VFPVLSSALH DPRYFETPNT FNPGHFLDAN GALKRNEGFM DATA SEQUENCE PFSLGKRICL GEGIARTELF LFFTTILQNF SIASPVPPED IDLTPRESGV DATA SEQUENCE GNVPPSYQIR FLARH 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 28 G C 0.000 174.969 174.900 0.114 0.000 0.946 28 G CA 0.000 45.147 45.100 0.078 0.000 0.502 29 K N 0.454 120.955 120.400 0.167 0.000 2.090 29 K HA 0.902 5.222 4.320 -0.001 0.000 0.250 29 K C 0.325 177.073 176.600 0.246 0.000 1.004 29 K CA -0.507 55.895 56.287 0.192 0.000 0.919 29 K CB 0.591 33.217 32.500 0.211 0.000 1.045 29 K HN 0.285 nan 8.250 nan 0.000 0.471 30 L N 1.242 122.540 121.223 0.125 0.000 2.456 30 L HA 0.338 4.677 4.340 -0.001 0.000 0.257 30 L C -1.984 174.804 176.870 -0.138 0.000 1.162 30 L CA -1.962 52.899 54.840 0.035 0.000 0.808 30 L CB 1.097 43.154 42.059 -0.004 0.000 1.136 30 L HN 0.518 nan 8.230 nan 0.000 0.466 31 P HA 0.079 nan 4.420 nan 0.000 0.268 31 P C -2.411 174.662 177.300 -0.379 0.000 1.205 31 P CA -0.761 61.886 63.100 -0.755 0.000 0.771 31 P CB -0.089 31.313 31.700 -0.496 0.000 0.858 32 P HA 0.296 nan 4.420 nan 0.000 0.272 32 P C -0.078 177.061 177.300 -0.268 0.000 1.230 32 P CA 0.274 63.308 63.100 -0.111 0.000 0.788 32 P CB 0.794 32.561 31.700 0.111 0.000 0.949 33 G N 0.225 108.729 108.800 -0.494 0.000 2.441 33 G HA2 0.439 4.398 3.960 -0.001 0.000 0.294 33 G HA3 0.439 4.398 3.960 -0.001 0.000 0.294 33 G C -3.286 171.141 174.900 -0.788 0.000 1.393 33 G CA -0.884 43.647 45.100 -0.949 0.000 0.796 33 G HN 0.377 nan 8.290 nan 0.000 0.494 34 P HA 0.286 nan 4.420 nan 0.000 0.271 34 P C 0.089 177.378 177.300 -0.018 0.000 1.216 34 P CA 0.063 63.108 63.100 -0.091 0.000 0.776 34 P CB 1.128 32.821 31.700 -0.011 0.000 0.881 35 S N 4.349 120.054 115.700 0.008 0.000 2.525 35 S HA 0.162 4.631 4.470 -0.001 0.000 0.285 35 S C -1.686 172.872 174.600 -0.069 0.000 1.283 35 S CA -0.481 57.699 58.200 -0.034 0.000 1.072 35 S CB -0.547 62.640 63.200 -0.022 0.000 0.867 35 S HN 0.437 nan 8.310 nan 0.000 0.492 36 P HA 0.339 nan 4.420 nan 0.000 0.286 36 P C -0.747 176.459 177.300 -0.158 0.000 1.261 36 P CA -0.632 62.346 63.100 -0.205 0.000 0.821 36 P CB 0.773 32.121 31.700 -0.586 0.000 1.013 37 L N 4.377 125.553 121.223 -0.079 0.000 2.418 37 L HA 0.342 4.681 4.340 -0.001 0.000 0.265 37 L C -1.924 174.908 176.870 -0.063 0.000 1.143 37 L CA -1.891 52.916 54.840 -0.054 0.000 0.809 37 L CB -0.070 41.983 42.059 -0.011 0.000 1.124 37 L HN 0.255 nan 8.230 nan 0.000 0.456 38 P HA 0.075 nan 4.420 nan 0.000 0.264 38 P C 0.479 177.778 177.300 -0.001 0.000 1.193 38 P CA 0.275 63.357 63.100 -0.030 0.000 0.763 38 P CB 0.820 32.511 31.700 -0.016 0.000 0.810 39 V N 1.685 121.606 119.914 0.012 0.000 0.508 39 V HA -0.359 3.760 4.120 -0.001 0.000 0.092 39 V C 1.882 177.994 176.094 0.030 0.000 2.282 39 V CA 2.216 64.539 62.300 0.039 0.000 3.591 39 V CB -1.980 29.882 31.823 0.065 0.000 0.878 39 V HN 0.503 nan 8.190 nan 0.000 0.919 40 L N 0.493 121.732 121.223 0.027 0.000 2.313 40 L HA 0.430 4.770 4.340 -0.001 0.000 0.214 40 L C 1.860 178.764 176.870 0.058 0.000 1.119 40 L CA 1.227 56.095 54.840 0.046 0.000 0.809 40 L CB -0.719 41.377 42.059 0.063 0.000 0.933 40 L HN 0.961 nan 8.230 nan 0.000 0.449 41 G N 1.342 110.163 108.800 0.035 0.000 2.561 41 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.289 41 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.289 41 G C 0.273 175.213 174.900 0.067 0.000 1.169 41 G CA 0.629 45.765 45.100 0.060 0.000 0.980 41 G HN 0.469 nan 8.290 nan 0.000 0.550 42 N N 0.707 119.473 118.700 0.110 0.000 2.251 42 N HA 0.366 5.105 4.740 -0.001 0.000 0.217 42 N C 1.814 177.371 175.510 0.080 0.000 1.124 42 N CA 0.348 53.446 53.050 0.081 0.000 0.843 42 N CB 0.519 39.050 38.487 0.073 0.000 1.024 42 N HN 0.503 nan 8.380 nan 0.000 0.501 43 L N 0.414 121.696 121.223 0.098 0.000 2.051 43 L HA -0.185 4.154 4.340 -0.001 0.000 0.214 43 L C 1.314 178.250 176.870 0.109 0.000 1.076 43 L CA 1.760 56.671 54.840 0.119 0.000 0.758 43 L CB -0.166 41.981 42.059 0.148 0.000 0.890 43 L HN 0.171 nan 8.230 nan 0.000 0.433 44 L N -0.791 120.489 121.223 0.095 0.000 2.362 44 L HA -0.106 4.233 4.340 -0.001 0.000 0.219 44 L C 2.195 179.096 176.870 0.051 0.000 1.134 44 L CA 1.175 56.058 54.840 0.072 0.000 0.807 44 L CB -1.224 40.873 42.059 0.064 0.000 0.927 44 L HN 0.405 nan 8.230 nan 0.000 0.447 45 Q N -1.222 118.608 119.800 0.050 0.000 2.431 45 Q HA 0.061 4.400 4.340 -0.001 0.000 0.210 45 Q C 0.024 176.049 176.000 0.042 0.000 0.958 45 Q CA 0.374 56.200 55.803 0.038 0.000 0.957 45 Q CB -0.047 28.708 28.738 0.028 0.000 1.007 45 Q HN 0.227 nan 8.270 nan 0.000 0.511 46 M N 0.241 119.878 119.600 0.062 0.000 2.367 46 M HA 0.245 4.724 4.480 -0.001 0.000 0.339 46 M C -0.178 176.161 176.300 0.065 0.000 1.177 46 M CA -0.861 54.490 55.300 0.084 0.000 1.068 46 M CB 1.141 33.809 32.600 0.113 0.000 1.602 46 M HN -0.070 nan 8.290 nan 0.000 0.457 47 D N 1.410 121.854 120.400 0.073 0.000 2.344 47 D HA 0.346 4.985 4.640 -0.001 0.000 0.244 47 D C 1.317 177.643 176.300 0.044 0.000 1.134 47 D CA 0.130 54.161 54.000 0.052 0.000 0.930 47 D CB 0.919 41.754 40.800 0.059 0.000 1.175 47 D HN 0.632 nan 8.370 nan 0.000 0.437 48 R N 1.400 121.915 120.500 0.026 0.000 2.237 48 R HA -0.031 4.308 4.340 -0.001 0.000 0.219 48 R C 1.869 178.185 176.300 0.027 0.000 1.080 48 R CA 1.999 58.109 56.100 0.017 0.000 0.995 48 R CB -1.521 28.782 30.300 0.006 0.000 0.875 48 R HN 0.504 nan 8.270 nan 0.000 0.462 49 K N 0.052 120.474 120.400 0.035 0.000 2.487 49 K HA 0.445 4.764 4.320 -0.001 0.000 0.192 49 K C 1.196 177.828 176.600 0.053 0.000 1.027 49 K CA 0.761 57.071 56.287 0.038 0.000 1.054 49 K CB -0.903 31.619 32.500 0.036 0.000 0.824 49 K HN 1.776 nan 8.250 nan 0.000 0.510 50 G N -1.106 107.737 108.800 0.072 0.000 2.587 50 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.686 50 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.686 50 G C 0.468 175.463 174.900 0.158 0.000 1.236 50 G CA -0.272 44.885 45.100 0.095 0.000 0.820 50 G HN 0.309 nan 8.290 nan 0.000 0.645 51 L N 0.354 121.693 121.223 0.194 0.000 2.046 51 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 51 L C 3.004 180.117 176.870 0.405 0.000 1.077 51 L CA 1.435 56.467 54.840 0.320 0.000 0.747 51 L CB -0.571 41.632 42.059 0.240 0.000 0.896 51 L HN 0.536 nan 8.230 nan 0.000 0.432 52 L N 0.167 121.545 121.223 0.258 0.000 2.046 52 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 52 L C 2.728 179.688 176.870 0.149 0.000 1.077 52 L CA 1.739 56.639 54.840 0.100 0.000 0.747 52 L CB -0.664 41.352 42.059 -0.070 0.000 0.896 52 L HN 0.088 nan 8.230 nan 0.000 0.432 53 R N -1.556 119.022 120.500 0.129 0.000 2.115 53 R HA -0.081 4.258 4.340 -0.001 0.000 0.230 53 R C 2.290 178.692 176.300 0.170 0.000 1.111 53 R CA 1.218 57.387 56.100 0.115 0.000 0.976 53 R CB -0.073 30.266 30.300 0.065 0.000 0.870 53 R HN 0.346 nan 8.270 nan 0.000 0.445 54 S N 0.096 115.939 115.700 0.238 0.000 2.368 54 S HA -0.115 4.354 4.470 -0.001 0.000 0.225 54 S C 1.436 176.185 174.600 0.249 0.000 1.030 54 S CA 1.157 59.489 58.200 0.220 0.000 0.999 54 S CB -0.227 63.122 63.200 0.249 0.000 0.844 54 S HN 0.198 nan 8.310 nan 0.000 0.459 55 F N 1.385 121.453 119.950 0.197 0.000 2.186 55 F HA -0.005 4.521 4.527 -0.001 0.000 0.299 55 F C 2.060 177.966 175.800 0.177 0.000 1.090 55 F CA 0.377 58.550 58.000 0.288 0.000 1.307 55 F CB -0.740 38.515 39.000 0.425 0.000 1.019 55 F HN 0.178 nan 8.300 nan 0.000 0.489 56 L N 0.805 122.208 121.223 0.301 0.000 2.083 56 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 56 L C 2.402 179.314 176.870 0.071 0.000 1.083 56 L CA 1.737 56.677 54.840 0.165 0.000 0.752 56 L CB -1.002 41.123 42.059 0.110 0.000 0.899 56 L HN 0.135 nan 8.230 nan 0.000 0.433 57 R N -0.707 119.824 120.500 0.051 0.000 2.096 57 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 57 R C 2.283 178.537 176.300 -0.076 0.000 1.127 57 R CA 1.688 57.784 56.100 -0.006 0.000 0.968 57 R CB -0.332 29.971 30.300 0.006 0.000 0.861 57 R HN 0.493 nan 8.270 nan 0.000 0.440 58 L N 0.351 121.492 121.223 -0.136 0.000 2.056 58 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 58 L C 2.920 179.504 176.870 -0.477 0.000 1.078 58 L CA 1.485 56.124 54.840 -0.335 0.000 0.749 58 L CB -0.504 41.176 42.059 -0.631 0.000 0.901 58 L HN 0.287 nan 8.230 nan 0.000 0.433 59 R N 0.570 120.831 120.500 -0.398 0.000 2.103 59 R HA -0.238 4.101 4.340 -0.001 0.000 0.242 59 R C 2.059 178.341 176.300 -0.030 0.000 1.142 59 R CA 1.925 57.965 56.100 -0.100 0.000 0.960 59 R CB -0.155 30.262 30.300 0.194 0.000 0.858 59 R HN 0.396 nan 8.270 nan 0.000 0.439 60 E N -0.013 120.160 120.200 -0.045 0.000 2.085 60 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 60 E C 2.015 178.550 176.600 -0.108 0.000 0.994 60 E CA 1.179 57.552 56.400 -0.045 0.000 0.801 60 E CB 0.067 29.741 29.700 -0.044 0.000 0.743 60 E HN 0.134 nan 8.360 nan 0.000 0.453 61 K N -0.297 119.978 120.400 -0.208 0.000 2.062 61 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 61 K C 1.354 177.639 176.600 -0.525 0.000 1.051 61 K CA 1.360 57.388 56.287 -0.431 0.000 0.941 61 K CB 0.126 32.243 32.500 -0.637 0.000 0.719 61 K HN 0.221 nan 8.250 nan 0.000 0.440 62 Y N -1.240 118.990 120.300 -0.117 0.000 2.430 62 Y HA 0.240 4.789 4.550 -0.001 0.000 0.254 62 Y C 1.071 177.015 175.900 0.074 0.000 1.088 62 Y CA 0.359 58.436 58.100 -0.038 0.000 1.267 62 Y CB 1.144 39.548 38.460 -0.093 0.000 1.204 62 Y HN 0.233 nan 8.280 nan 0.000 0.515 63 G N 0.251 109.178 108.800 0.211 0.000 2.409 63 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.421 63 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.421 63 G C -0.419 174.696 174.900 0.358 0.000 1.259 63 G CA -0.158 45.089 45.100 0.246 0.000 1.011 63 G HN 0.024 nan 8.290 nan 0.000 0.497 64 D N -0.801 119.787 120.400 0.314 0.000 2.269 64 D HA 0.125 4.764 4.640 -0.001 0.000 0.208 64 D C 1.209 177.715 176.300 0.343 0.000 0.963 64 D CA 1.465 55.657 54.000 0.320 0.000 0.864 64 D CB 0.294 41.231 40.800 0.228 0.000 0.936 64 D HN 0.420 nan 8.370 nan 0.000 0.505 65 V N 2.209 122.341 119.914 0.364 0.000 2.376 65 V HA 0.376 4.495 4.120 -0.001 0.000 0.287 65 V C -0.559 175.647 176.094 0.186 0.000 1.015 65 V CA -0.887 61.563 62.300 0.250 0.000 0.834 65 V CB 0.629 32.696 31.823 0.405 0.000 1.001 65 V HN -0.015 nan 8.190 nan 0.000 0.428 66 F N 1.342 121.291 119.950 -0.002 0.000 2.629 66 F HA 0.866 5.392 4.527 -0.001 0.000 0.316 66 F C -0.296 175.395 175.800 -0.182 0.000 1.081 66 F CA -0.968 56.957 58.000 -0.125 0.000 0.954 66 F CB 1.730 40.672 39.000 -0.096 0.000 1.337 66 F HN 0.152 nan 8.300 nan 0.000 0.474 67 T N 2.150 116.647 114.554 -0.095 0.000 2.771 67 T HA 0.619 4.968 4.350 -0.001 0.000 0.281 67 T C -1.135 173.463 174.700 -0.170 0.000 0.982 67 T CA -0.547 61.412 62.100 -0.235 0.000 0.978 67 T CB 1.447 70.156 68.868 -0.266 0.000 0.930 67 T HN 0.651 nan 8.240 nan 0.000 0.447 68 V N 3.962 123.720 119.914 -0.260 0.000 2.769 68 V HA 0.556 4.676 4.120 -0.001 0.000 0.312 68 V C -1.559 174.358 176.094 -0.295 0.000 1.061 68 V CA -0.853 61.357 62.300 -0.150 0.000 0.931 68 V CB 1.875 33.647 31.823 -0.085 0.000 1.010 68 V HN 0.847 nan 8.190 nan 0.000 0.433 69 Y N 5.288 125.552 120.300 -0.060 0.000 2.331 69 Y HA 0.576 5.125 4.550 -0.001 0.000 0.338 69 Y C 0.096 175.986 175.900 -0.016 0.000 0.992 69 Y CA -0.636 57.434 58.100 -0.050 0.000 1.121 69 Y CB 1.488 39.921 38.460 -0.045 0.000 1.184 69 Y HN 0.333 nan 8.280 nan 0.000 0.469 70 L N 4.372 125.640 121.223 0.075 0.000 2.276 70 L HA 0.562 4.901 4.340 -0.001 0.000 0.286 70 L C 0.899 177.816 176.870 0.079 0.000 1.024 70 L CA -0.344 54.548 54.840 0.087 0.000 0.826 70 L CB 0.656 42.761 42.059 0.078 0.000 1.211 70 L HN 0.984 nan 8.230 nan 0.000 0.422 71 G N 3.398 112.247 108.800 0.082 0.000 2.565 71 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.295 71 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.295 71 G C 0.603 175.549 174.900 0.077 0.000 1.165 71 G CA 0.444 45.577 45.100 0.055 0.000 0.977 71 G HN 0.560 nan 8.290 nan 0.000 0.546 72 S N 1.437 117.172 115.700 0.057 0.000 2.539 72 S HA 0.330 4.799 4.470 -0.001 0.000 0.221 72 S C 0.606 175.308 174.600 0.169 0.000 0.987 72 S CA -0.138 58.112 58.200 0.084 0.000 0.929 72 S CB 0.433 63.639 63.200 0.010 0.000 0.832 72 S HN 0.570 nan 8.310 nan 0.000 0.492 73 R N 3.141 123.709 120.500 0.114 0.000 2.254 73 R HA 0.397 4.736 4.340 -0.001 0.000 0.318 73 R C -3.070 173.168 176.300 -0.105 0.000 1.031 73 R CA -3.001 53.112 56.100 0.021 0.000 0.905 73 R CB -0.524 29.753 30.300 -0.039 0.000 1.050 73 R HN 0.088 nan 8.270 nan 0.000 0.456 74 P HA 0.065 nan 4.420 nan 0.000 0.276 74 P C -0.432 176.599 177.300 -0.448 0.000 1.235 74 P CA -0.282 62.416 63.100 -0.670 0.000 0.772 74 P CB 1.009 32.404 31.700 -0.507 0.000 0.871 75 V N 4.454 124.064 119.914 -0.505 0.000 2.588 75 V HA 0.437 4.557 4.120 -0.001 0.000 0.304 75 V C -0.915 174.882 176.094 -0.496 0.000 1.042 75 V CA -0.915 61.074 62.300 -0.520 0.000 0.877 75 V CB 2.207 33.573 31.823 -0.761 0.000 0.996 75 V HN 0.175 nan 8.190 nan 0.000 0.425 76 V N 6.947 126.614 119.914 -0.411 0.000 2.407 76 V HA 0.450 4.569 4.120 -0.001 0.000 0.278 76 V C 0.051 175.937 176.094 -0.347 0.000 1.037 76 V CA -0.315 61.781 62.300 -0.340 0.000 0.900 76 V CB 1.548 33.245 31.823 -0.210 0.000 0.983 76 V HN 0.766 nan 8.190 nan 0.000 0.459 77 V N 6.565 126.211 119.914 -0.448 0.000 2.398 77 V HA 0.417 4.536 4.120 -0.001 0.000 0.286 77 V C -0.339 175.563 176.094 -0.321 0.000 1.026 77 V CA -0.668 61.402 62.300 -0.383 0.000 0.868 77 V CB 1.536 32.891 31.823 -0.781 0.000 0.982 77 V HN 0.507 nan 8.190 nan 0.000 0.443 78 L N 5.230 126.387 121.223 -0.109 0.000 2.272 78 L HA 0.561 4.900 4.340 -0.001 0.000 0.289 78 L C -0.180 176.718 176.870 0.046 0.000 1.032 78 L CA 0.102 54.925 54.840 -0.029 0.000 0.810 78 L CB 1.069 43.073 42.059 -0.091 0.000 1.205 78 L HN 0.722 nan 8.230 nan 0.000 0.422 79 C N 1.865 121.241 119.300 0.127 0.000 2.507 79 C HA 0.937 5.396 4.460 -0.001 0.000 0.319 79 C C 0.508 175.583 174.990 0.141 0.000 1.208 79 C CA -0.815 58.298 59.018 0.160 0.000 1.619 79 C CB 0.890 28.793 27.740 0.272 0.000 2.230 79 C HN 1.087 nan 8.230 nan 0.000 0.492 80 G N 2.390 111.256 108.800 0.110 0.000 2.721 80 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.686 80 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.686 80 G C 0.242 175.171 174.900 0.049 0.000 1.236 80 G CA -0.143 45.019 45.100 0.104 0.000 0.786 80 G HN 0.820 nan 8.290 nan 0.000 0.616 81 T N 0.717 115.272 114.554 0.002 0.000 2.699 81 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 81 T C 1.940 176.592 174.700 -0.080 0.000 1.036 81 T CA 2.270 64.286 62.100 -0.140 0.000 1.147 81 T CB -0.291 68.284 68.868 -0.489 0.000 0.862 81 T HN 0.626 nan 8.240 nan 0.000 0.446 82 D N 1.228 121.640 120.400 0.020 0.000 2.097 82 D HA 0.015 4.654 4.640 -0.001 0.000 0.195 82 D C 2.410 178.741 176.300 0.052 0.000 0.989 82 D CA 1.316 55.344 54.000 0.046 0.000 0.827 82 D CB -0.570 40.284 40.800 0.091 0.000 0.966 82 D HN 0.429 nan 8.370 nan 0.000 0.456 83 A N 0.582 123.456 122.820 0.089 0.000 1.898 83 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 83 A C 2.373 180.041 177.584 0.141 0.000 1.181 83 A CA 0.811 52.957 52.037 0.182 0.000 0.620 83 A CB -0.702 18.433 19.000 0.226 0.000 0.819 83 A HN 0.174 nan 8.150 nan 0.000 0.442 84 I N -1.069 119.517 120.570 0.027 0.000 2.286 84 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 84 I C 2.690 178.764 176.117 -0.072 0.000 1.115 84 I CA 1.591 62.853 61.300 -0.064 0.000 1.392 84 I CB -0.226 37.731 38.000 -0.071 0.000 1.065 84 I HN 0.338 nan 8.210 nan 0.000 0.418 85 R N 1.066 121.546 120.500 -0.033 0.000 2.073 85 R HA -0.147 4.192 4.340 -0.001 0.000 0.229 85 R C 2.112 178.419 176.300 0.010 0.000 1.120 85 R CA 1.339 57.425 56.100 -0.024 0.000 0.967 85 R CB -0.018 30.263 30.300 -0.031 0.000 0.862 85 R HN 0.335 nan 8.270 nan 0.000 0.436 86 E N -0.057 120.177 120.200 0.057 0.000 2.118 86 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 86 E C 1.804 178.509 176.600 0.176 0.000 0.992 86 E CA 1.355 57.829 56.400 0.122 0.000 0.804 86 E CB -0.046 29.714 29.700 0.100 0.000 0.741 86 E HN 0.455 nan 8.360 nan 0.000 0.458 87 A N 0.866 123.672 122.820 -0.022 0.000 1.835 87 A HA -0.072 4.248 4.320 -0.001 0.000 0.213 87 A C 2.145 179.510 177.584 -0.365 0.000 1.210 87 A CA 0.815 52.419 52.037 -0.722 0.000 0.605 87 A CB -0.618 17.322 19.000 -1.767 0.000 0.860 87 A HN 0.115 nan 8.150 nan 0.000 0.447 88 L N -0.566 120.520 121.223 -0.228 0.000 2.201 88 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 88 L C 2.201 179.098 176.870 0.045 0.000 1.105 88 L CA 0.683 55.499 54.840 -0.039 0.000 0.775 88 L CB -0.293 41.742 42.059 -0.040 0.000 0.913 88 L HN 0.263 nan 8.230 nan 0.000 0.440 89 V N -1.212 118.720 119.914 0.030 0.000 2.599 89 V HA -0.059 4.061 4.120 -0.001 0.000 0.237 89 V C 1.748 177.887 176.094 0.076 0.000 1.081 89 V CA 1.031 63.363 62.300 0.054 0.000 1.107 89 V CB -0.145 31.700 31.823 0.036 0.000 0.808 89 V HN 0.252 nan 8.190 nan 0.000 0.486 90 D N 0.156 120.604 120.400 0.080 0.000 2.224 90 D HA -0.091 4.548 4.640 -0.001 0.000 0.205 90 D C 1.486 177.871 176.300 0.141 0.000 0.965 90 D CA 0.995 55.054 54.000 0.099 0.000 0.852 90 D CB 0.011 40.868 40.800 0.095 0.000 0.947 90 D HN 0.460 nan 8.370 nan 0.000 0.494 91 Q N -0.254 119.663 119.800 0.195 0.000 2.233 91 Q HA 0.436 4.775 4.340 -0.001 0.000 0.340 91 Q C 1.068 177.239 176.000 0.285 0.000 0.899 91 Q CA -0.329 55.638 55.803 0.272 0.000 1.139 91 Q CB 1.297 30.297 28.738 0.437 0.000 1.273 91 Q HN 0.060 nan 8.270 nan 0.000 0.431 92 A N 0.980 123.915 122.820 0.191 0.000 1.915 92 A HA -0.315 4.004 4.320 -0.001 0.000 0.220 92 A C 1.987 179.682 177.584 0.186 0.000 1.198 92 A CA 2.286 54.428 52.037 0.177 0.000 0.647 92 A CB -0.145 18.929 19.000 0.124 0.000 0.825 92 A HN 0.412 nan 8.150 nan 0.000 0.456 93 E N -0.264 120.022 120.200 0.144 0.000 2.072 93 E HA 0.038 4.387 4.350 -0.001 0.000 0.190 93 E C 2.055 178.700 176.600 0.076 0.000 0.982 93 E CA 1.502 57.964 56.400 0.103 0.000 0.803 93 E CB -0.524 29.223 29.700 0.079 0.000 0.755 93 E HN 0.477 nan 8.360 nan 0.000 0.453 94 A N -0.411 122.450 122.820 0.068 0.000 1.978 94 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 94 A C 1.542 179.008 177.584 -0.196 0.000 1.170 94 A CA 1.218 53.214 52.037 -0.069 0.000 0.636 94 A CB -0.659 18.280 19.000 -0.102 0.000 0.810 94 A HN 0.346 nan 8.150 nan 0.000 0.448 95 F N 0.079 120.047 119.950 0.030 0.000 2.660 95 F HA 0.136 4.662 4.527 -0.001 0.000 0.297 95 F C 1.869 177.756 175.800 0.144 0.000 1.132 95 F CA 0.556 58.585 58.000 0.049 0.000 1.372 95 F CB 0.396 39.401 39.000 0.009 0.000 1.003 95 F HN 0.261 nan 8.300 nan 0.000 0.524 96 S N -1.549 114.239 115.700 0.147 0.000 2.539 96 S HA 0.297 4.766 4.470 -0.001 0.000 0.221 96 S C 1.073 175.597 174.600 -0.127 0.000 0.987 96 S CA -0.169 58.052 58.200 0.036 0.000 0.929 96 S CB -0.261 62.974 63.200 0.059 0.000 0.832 96 S HN 0.153 nan 8.310 nan 0.000 0.492 97 G N 1.389 110.138 108.800 -0.085 0.000 2.569 97 G HA2 0.494 4.453 3.960 -0.001 0.000 0.249 97 G HA3 0.494 4.453 3.960 -0.001 0.000 0.249 97 G C -0.257 174.551 174.900 -0.153 0.000 1.216 97 G CA -0.861 44.176 45.100 -0.105 0.000 0.845 97 G HN 0.466 nan 8.290 nan 0.000 0.568 98 R N -0.286 120.134 120.500 -0.133 0.000 2.674 98 R HA 0.537 4.876 4.340 -0.001 0.000 0.266 98 R C 0.744 177.007 176.300 -0.061 0.000 1.016 98 R CA -0.444 55.583 56.100 -0.121 0.000 1.062 98 R CB 1.044 31.252 30.300 -0.154 0.000 1.142 98 R HN 0.590 nan 8.270 nan 0.000 0.517 99 G N -0.181 108.599 108.800 -0.033 0.000 2.636 99 G HA2 0.243 4.202 3.960 -0.001 0.000 0.246 99 G HA3 0.243 4.202 3.960 -0.001 0.000 0.246 99 G C 1.068 175.953 174.900 -0.026 0.000 1.216 99 G CA 0.081 45.173 45.100 -0.012 0.000 0.854 99 G HN 0.648 nan 8.290 nan 0.000 0.572 100 K N 0.430 120.819 120.400 -0.018 0.000 2.127 100 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 100 K C 2.301 178.895 176.600 -0.011 0.000 1.047 100 K CA 1.898 58.173 56.287 -0.021 0.000 0.927 100 K CB -0.827 31.661 32.500 -0.020 0.000 0.716 100 K HN 0.597 nan 8.250 nan 0.000 0.450 101 I N 0.139 120.716 120.570 0.012 0.000 2.567 101 I HA -0.158 4.011 4.170 -0.001 0.000 0.257 101 I C 2.454 178.573 176.117 0.003 0.000 1.184 101 I CA 1.080 62.404 61.300 0.039 0.000 1.451 101 I CB 0.042 38.088 38.000 0.076 0.000 1.089 101 I HN 0.393 nan 8.210 nan 0.000 0.441 102 A N -0.105 122.696 122.820 -0.032 0.000 2.430 102 A HA 0.342 4.661 4.320 -0.001 0.000 0.243 102 A C 0.514 178.054 177.584 -0.074 0.000 1.254 102 A CA -0.051 51.949 52.037 -0.062 0.000 0.914 102 A CB 0.105 19.049 19.000 -0.094 0.000 0.998 102 A HN 0.081 nan 8.150 nan 0.000 0.515 103 V N 1.451 121.329 119.914 -0.061 0.000 2.350 103 V HA 0.293 4.413 4.120 -0.001 0.000 0.276 103 V C 0.407 176.458 176.094 -0.071 0.000 1.028 103 V CA -0.586 61.673 62.300 -0.069 0.000 0.860 103 V CB 1.230 33.017 31.823 -0.059 0.000 0.990 103 V HN 0.310 nan 8.190 nan 0.000 0.453 104 V N 3.591 123.455 119.914 -0.083 0.000 2.686 104 V HA 0.400 4.519 4.120 -0.001 0.000 0.295 104 V C 0.006 176.046 176.094 -0.091 0.000 1.055 104 V CA -0.139 62.109 62.300 -0.085 0.000 1.050 104 V CB 1.614 33.384 31.823 -0.089 0.000 0.984 104 V HN 0.901 nan 8.190 nan 0.000 0.482 105 D N 6.721 127.079 120.400 -0.070 0.000 2.396 105 D HA 0.457 5.096 4.640 -0.001 0.000 0.225 105 D C -1.651 174.612 176.300 -0.061 0.000 1.121 105 D CA -2.340 51.637 54.000 -0.038 0.000 0.853 105 D CB 1.936 42.749 40.800 0.022 0.000 1.043 105 D HN 0.476 nan 8.370 nan 0.000 0.500 106 P HA -0.023 nan 4.420 nan 0.000 0.223 106 P C 1.824 178.980 177.300 -0.240 0.000 1.151 106 P CA 0.380 63.216 63.100 -0.440 0.000 0.787 106 P CB 0.541 31.582 31.700 -1.098 0.000 0.788 107 I N -1.993 118.523 120.570 -0.089 0.000 2.423 107 I HA -0.232 3.937 4.170 -0.001 0.000 0.254 107 I C 1.948 177.988 176.117 -0.127 0.000 1.151 107 I CA 1.619 62.879 61.300 -0.067 0.000 1.421 107 I CB -0.347 37.644 38.000 -0.015 0.000 1.079 107 I HN -0.140 nan 8.210 nan 0.000 0.431 108 F N -0.507 119.388 119.950 -0.091 0.000 2.500 108 F HA 0.043 4.569 4.527 -0.001 0.000 0.285 108 F C 2.262 178.020 175.800 -0.069 0.000 1.088 108 F CA 0.538 58.498 58.000 -0.067 0.000 1.432 108 F CB 0.240 39.204 39.000 -0.061 0.000 1.131 108 F HN -0.097 nan 8.300 nan 0.000 0.582 109 Q N -0.377 119.469 119.800 0.077 0.000 2.214 109 Q HA 0.316 4.655 4.340 -0.001 0.000 0.229 109 Q C 0.635 176.612 176.000 -0.037 0.000 0.835 109 Q CA 0.217 56.030 55.803 0.017 0.000 0.953 109 Q CB 1.429 30.171 28.738 0.007 0.000 1.131 109 Q HN 0.306 nan 8.270 nan 0.000 0.501 110 G N 0.715 109.450 108.800 -0.108 0.000 2.860 110 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.553 110 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.553 110 G C -0.783 173.987 174.900 -0.217 0.000 1.439 110 G CA -0.680 44.340 45.100 -0.132 0.000 0.879 110 G HN 0.181 nan 8.290 nan 0.000 0.545 111 Y N 0.219 120.559 120.300 0.066 0.000 2.295 111 Y HA 0.491 5.040 4.550 -0.001 0.000 0.331 111 Y C 1.893 177.877 175.900 0.139 0.000 1.311 111 Y CA 1.205 59.350 58.100 0.075 0.000 1.430 111 Y CB 1.196 39.784 38.460 0.214 0.000 1.339 111 Y HN 1.870 nan 8.280 nan 0.000 0.552 112 G N -0.561 108.457 108.800 0.363 0.000 2.792 112 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.201 112 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.201 112 G C 0.911 175.912 174.900 0.169 0.000 1.322 112 G CA 0.292 45.564 45.100 0.286 0.000 0.910 112 G HN 0.771 nan 8.290 nan 0.000 0.535 113 V N 2.645 122.610 119.914 0.085 0.000 2.427 113 V HA 0.077 4.196 4.120 -0.001 0.000 0.248 113 V C 2.669 178.766 176.094 0.006 0.000 1.051 113 V CA 2.503 64.829 62.300 0.044 0.000 1.048 113 V CB -0.470 31.362 31.823 0.014 0.000 0.666 113 V HN 0.562 nan 8.190 nan 0.000 0.456 114 I N -0.552 119.976 120.570 -0.070 0.000 2.127 114 I HA -0.237 3.932 4.170 -0.001 0.000 0.241 114 I C 2.377 178.361 176.117 -0.220 0.000 1.075 114 I CA 2.144 63.318 61.300 -0.211 0.000 1.334 114 I CB -0.596 37.171 38.000 -0.389 0.000 1.040 114 I HN 0.298 nan 8.210 nan 0.000 0.405 115 F N 0.994 121.002 119.950 0.095 0.000 2.146 115 F HA -0.116 4.410 4.527 -0.001 0.000 0.298 115 F C 2.652 178.500 175.800 0.080 0.000 1.096 115 F CA 1.174 59.226 58.000 0.086 0.000 1.275 115 F CB -1.119 37.929 39.000 0.080 0.000 1.008 115 F HN -0.011 nan 8.300 nan 0.000 0.480 116 A N 0.720 123.673 122.820 0.222 0.000 1.865 116 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 116 A C 2.158 179.821 177.584 0.132 0.000 1.191 116 A CA 2.081 54.211 52.037 0.155 0.000 0.623 116 A CB -0.976 18.098 19.000 0.123 0.000 0.826 116 A HN 0.361 nan 8.150 nan 0.000 0.444 117 N N 0.290 119.048 118.700 0.096 0.000 2.137 117 N HA -0.147 4.592 4.740 -0.001 0.000 0.190 117 N C 1.782 177.385 175.510 0.154 0.000 1.017 117 N CA 1.559 54.666 53.050 0.095 0.000 0.859 117 N CB -1.000 37.502 38.487 0.026 0.000 1.002 117 N HN 0.515 nan 8.380 nan 0.000 0.428 118 G N 0.922 109.811 108.800 0.147 0.000 2.446 118 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.217 118 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.217 118 G C 1.537 176.578 174.900 0.235 0.000 1.168 118 G CA 0.817 46.044 45.100 0.211 0.000 0.771 118 G HN 0.365 nan 8.290 nan 0.000 0.551 119 E N 0.036 120.352 120.200 0.193 0.000 2.028 119 E HA -0.051 4.298 4.350 -0.001 0.000 0.191 119 E C 2.780 179.470 176.600 0.150 0.000 0.988 119 E CA 0.650 57.140 56.400 0.151 0.000 0.799 119 E CB -0.105 29.672 29.700 0.127 0.000 0.755 119 E HN 0.295 nan 8.360 nan 0.000 0.447 120 R N 0.183 120.784 120.500 0.168 0.000 2.094 120 R HA -0.199 4.140 4.340 -0.001 0.000 0.239 120 R C 2.281 178.733 176.300 0.254 0.000 1.137 120 R CA 1.750 57.961 56.100 0.185 0.000 0.943 120 R CB -0.637 29.772 30.300 0.182 0.000 0.850 120 R HN 0.463 nan 8.270 nan 0.000 0.433 121 W N 1.875 123.214 121.300 0.065 0.000 2.318 121 W HA -0.254 4.406 4.660 -0.001 0.000 0.313 121 W C 1.883 178.452 176.519 0.083 0.000 1.221 121 W CA 1.315 58.699 57.345 0.065 0.000 1.266 121 W CB -0.111 29.376 29.460 0.046 0.000 1.150 121 W HN 0.090 nan 8.180 nan 0.000 0.496 122 R N 0.087 120.581 120.500 -0.009 0.000 2.075 122 R HA -0.122 4.218 4.340 -0.001 0.000 0.232 122 R C 2.521 178.767 176.300 -0.091 0.000 1.126 122 R CA 1.477 57.489 56.100 -0.146 0.000 0.963 122 R CB -0.919 29.370 30.300 -0.019 0.000 0.858 122 R HN 0.164 nan 8.270 nan 0.000 0.435 123 A N 1.324 124.149 122.820 0.008 0.000 1.908 123 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 123 A C 2.098 179.729 177.584 0.079 0.000 1.181 123 A CA 1.293 53.357 52.037 0.044 0.000 0.627 123 A CB -0.466 18.571 19.000 0.061 0.000 0.818 123 A HN 0.258 nan 8.150 nan 0.000 0.445 124 L N -0.847 120.415 121.223 0.065 0.000 2.044 124 L HA -0.027 4.312 4.340 -0.001 0.000 0.205 124 L C 2.406 179.295 176.870 0.032 0.000 1.075 124 L CA 2.217 57.148 54.840 0.151 0.000 0.747 124 L CB -0.531 41.631 42.059 0.172 0.000 0.903 124 L HN 0.342 nan 8.230 nan 0.000 0.435 125 R N -0.354 119.942 120.500 -0.339 0.000 2.119 125 R HA -0.191 4.149 4.340 -0.001 0.000 0.246 125 R C 2.453 178.660 176.300 -0.154 0.000 1.146 125 R CA 1.871 57.723 56.100 -0.413 0.000 0.962 125 R CB -0.253 29.641 30.300 -0.677 0.000 0.863 125 R HN 0.347 nan 8.270 nan 0.000 0.442 126 R N -1.350 119.110 120.500 -0.067 0.000 2.055 126 R HA -0.094 4.245 4.340 -0.001 0.000 0.228 126 R C 2.262 178.603 176.300 0.068 0.000 1.143 126 R CA 1.616 57.715 56.100 -0.001 0.000 0.945 126 R CB -0.613 29.700 30.300 0.021 0.000 0.841 126 R HN 0.308 nan 8.270 nan 0.000 0.429 127 F N 1.852 121.804 119.950 0.002 0.000 2.202 127 F HA -0.249 4.278 4.527 -0.001 0.000 0.301 127 F C 2.421 178.242 175.800 0.035 0.000 1.082 127 F CA 1.779 59.807 58.000 0.047 0.000 1.313 127 F CB -0.460 38.614 39.000 0.125 0.000 1.024 127 F HN 0.008 nan 8.300 nan 0.000 0.495 128 S N 0.753 116.406 115.700 -0.079 0.000 2.368 128 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 128 S C 1.909 176.337 174.600 -0.286 0.000 1.030 128 S CA 1.402 59.435 58.200 -0.279 0.000 0.999 128 S CB -0.854 62.307 63.200 -0.065 0.000 0.844 128 S HN 0.314 nan 8.310 nan 0.000 0.459 129 L N 2.197 123.312 121.223 -0.180 0.000 2.056 129 L HA 0.203 4.543 4.340 -0.001 0.000 0.207 129 L C 3.113 179.884 176.870 -0.166 0.000 1.078 129 L CA 1.471 56.218 54.840 -0.155 0.000 0.749 129 L CB -1.925 40.070 42.059 -0.107 0.000 0.901 129 L HN 0.494 nan 8.230 nan 0.000 0.433 130 A N -0.726 121.993 122.820 -0.168 0.000 1.902 130 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 130 A C 2.487 179.955 177.584 -0.193 0.000 1.181 130 A CA 2.345 54.296 52.037 -0.143 0.000 0.623 130 A CB -1.028 17.920 19.000 -0.088 0.000 0.818 130 A HN 0.499 nan 8.150 nan 0.000 0.443 131 T N -2.570 111.780 114.554 -0.340 0.000 2.788 131 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 131 T C 1.844 176.416 174.700 -0.213 0.000 1.044 131 T CA 1.907 63.817 62.100 -0.317 0.000 1.139 131 T CB -0.369 68.191 68.868 -0.514 0.000 0.867 131 T HN 0.148 nan 8.240 nan 0.000 0.454 132 M N 1.535 121.006 119.600 -0.215 0.000 2.159 132 M HA 0.074 4.553 4.480 -0.001 0.000 0.263 132 M C 3.050 179.277 176.300 -0.121 0.000 1.063 132 M CA 1.895 57.096 55.300 -0.163 0.000 1.110 132 M CB -1.740 30.760 32.600 -0.167 0.000 1.374 132 M HN 0.639 nan 8.290 nan 0.000 0.411 133 R N 0.894 121.327 120.500 -0.112 0.000 2.081 133 R HA 0.008 4.347 4.340 -0.001 0.000 0.235 133 R C 1.304 177.565 176.300 -0.065 0.000 1.131 133 R CA 1.881 57.933 56.100 -0.081 0.000 0.960 133 R CB -2.448 27.809 30.300 -0.070 0.000 0.856 133 R HN 0.596 nan 8.270 nan 0.000 0.436 140 R N 0.928 121.449 120.500 0.034 0.000 2.628 140 R HA 0.804 5.143 4.340 -0.001 0.000 0.288 140 R C 0.322 176.634 176.300 0.021 0.000 0.980 140 R CA 0.014 56.131 56.100 0.028 0.000 0.891 140 R CB 0.638 30.960 30.300 0.035 0.000 1.188 140 R HN 1.122 nan 8.270 nan 0.000 0.450 141 S N 0.398 116.104 115.700 0.009 0.000 2.600 141 S HA 0.280 4.749 4.470 -0.001 0.000 0.265 141 S C 1.317 175.913 174.600 -0.008 0.000 1.325 141 S CA -0.018 58.178 58.200 -0.006 0.000 1.002 141 S CB 1.454 64.647 63.200 -0.013 0.000 0.921 141 S HN 0.701 nan 8.310 nan 0.000 0.554 142 V N 1.391 121.287 119.914 -0.030 0.000 2.343 142 V HA -0.161 3.958 4.120 -0.001 0.000 0.247 142 V C 2.798 178.873 176.094 -0.031 0.000 1.051 142 V CA 2.317 64.596 62.300 -0.035 0.000 1.036 142 V CB -1.254 30.525 31.823 -0.073 0.000 0.654 142 V HN 1.074 nan 8.190 nan 0.000 0.451 143 E N 0.358 120.536 120.200 -0.036 0.000 2.118 143 E HA -0.282 4.067 4.350 -0.001 0.000 0.195 143 E C 2.065 178.657 176.600 -0.014 0.000 0.992 143 E CA 1.727 58.108 56.400 -0.033 0.000 0.804 143 E CB -0.138 29.547 29.700 -0.025 0.000 0.741 143 E HN 0.733 nan 8.360 nan 0.000 0.458 144 E N 0.130 120.329 120.200 -0.001 0.000 2.110 144 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 144 E C 2.293 178.909 176.600 0.026 0.000 0.988 144 E CA 1.085 57.493 56.400 0.015 0.000 0.804 144 E CB -0.023 29.688 29.700 0.017 0.000 0.745 144 E HN 0.277 nan 8.360 nan 0.000 0.458 145 R N 0.329 120.846 120.500 0.029 0.000 2.115 145 R HA -0.025 4.314 4.340 -0.001 0.000 0.226 145 R C 2.353 178.695 176.300 0.071 0.000 1.100 145 R CA 0.880 57.014 56.100 0.056 0.000 0.980 145 R CB -0.203 30.137 30.300 0.066 0.000 0.875 145 R HN 0.194 nan 8.270 nan 0.000 0.445 146 I N 0.829 121.409 120.570 0.017 0.000 2.286 146 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 146 I C 2.455 178.562 176.117 -0.015 0.000 1.104 146 I CA 1.250 62.521 61.300 -0.048 0.000 1.397 146 I CB -0.277 37.589 38.000 -0.224 0.000 1.072 146 I HN 0.204 nan 8.210 nan 0.000 0.417 147 Q N 0.653 120.450 119.800 -0.004 0.000 2.045 147 Q HA -0.304 4.035 4.340 -0.001 0.000 0.206 147 Q C 2.210 178.262 176.000 0.086 0.000 0.991 147 Q CA 2.182 58.007 55.803 0.036 0.000 0.851 147 Q CB -0.195 28.562 28.738 0.030 0.000 0.911 147 Q HN 0.421 nan 8.270 nan 0.000 0.418 148 E N 0.274 120.521 120.200 0.079 0.000 2.097 148 E HA -0.298 4.051 4.350 -0.001 0.000 0.196 148 E C 1.787 178.464 176.600 0.129 0.000 1.000 148 E CA 1.559 58.010 56.400 0.085 0.000 0.804 148 E CB 0.040 29.779 29.700 0.065 0.000 0.740 148 E HN 0.206 nan 8.360 nan 0.000 0.454 149 E N -0.004 120.313 120.200 0.195 0.000 2.152 149 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 149 E C 1.675 178.501 176.600 0.378 0.000 0.983 149 E CA 1.173 57.751 56.400 0.297 0.000 0.818 149 E CB -0.206 29.750 29.700 0.427 0.000 0.758 149 E HN 0.357 nan 8.360 nan 0.000 0.467 150 A N 0.712 123.779 122.820 0.412 0.000 1.877 150 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 150 A C 2.230 179.964 177.584 0.251 0.000 1.186 150 A CA 1.629 53.910 52.037 0.407 0.000 0.620 150 A CB -0.541 18.649 19.000 0.316 0.000 0.822 150 A HN 0.209 nan 8.150 nan 0.000 0.443 151 R N -0.678 119.931 120.500 0.182 0.000 2.097 151 R HA -0.217 4.122 4.340 -0.001 0.000 0.236 151 R C 2.262 178.637 176.300 0.126 0.000 1.135 151 R CA 2.220 58.400 56.100 0.134 0.000 0.934 151 R CB -0.820 29.534 30.300 0.091 0.000 0.846 151 R HN 0.608 nan 8.270 nan 0.000 0.431 152 C N 0.527 119.888 119.300 0.102 0.000 2.411 152 C HA -0.123 4.336 4.460 -0.001 0.000 0.279 152 C C 2.541 177.628 174.990 0.161 0.000 1.288 152 C CA 0.501 59.547 59.018 0.045 0.000 1.764 152 C CB -1.128 26.545 27.740 -0.113 0.000 1.974 152 C HN 0.574 nan 8.230 nan 0.000 0.498 153 L N 0.950 122.309 121.223 0.227 0.000 2.005 153 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 153 L C 2.513 179.441 176.870 0.096 0.000 1.072 153 L CA 1.852 56.801 54.840 0.182 0.000 0.744 153 L CB -0.927 41.196 42.059 0.106 0.000 0.895 153 L HN 0.148 nan 8.230 nan 0.000 0.433 154 V N 0.357 120.369 119.914 0.164 0.000 2.250 154 V HA -0.408 3.711 4.120 -0.001 0.000 0.250 154 V C 2.684 178.930 176.094 0.253 0.000 1.060 154 V CA 2.360 64.827 62.300 0.279 0.000 1.030 154 V CB -0.754 31.251 31.823 0.303 0.000 0.643 154 V HN 0.651 nan 8.190 nan 0.000 0.445 155 E N -0.501 119.798 120.200 0.164 0.000 2.065 155 E HA -0.288 4.061 4.350 -0.001 0.000 0.201 155 E C 2.300 178.957 176.600 0.095 0.000 1.016 155 E CA 1.717 58.188 56.400 0.118 0.000 0.818 155 E CB -0.112 29.631 29.700 0.073 0.000 0.749 155 E HN 0.550 nan 8.360 nan 0.000 0.453 156 E N 0.172 120.418 120.200 0.077 0.000 2.160 156 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 156 E C 2.210 178.766 176.600 -0.074 0.000 0.991 156 E CA 0.732 57.148 56.400 0.027 0.000 0.810 156 E CB -0.135 29.601 29.700 0.060 0.000 0.742 156 E HN 0.404 nan 8.360 nan 0.000 0.466 157 L N 0.323 121.467 121.223 -0.132 0.000 2.179 157 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 157 L C 2.557 179.421 176.870 -0.009 0.000 1.096 157 L CA 0.696 55.328 54.840 -0.347 0.000 0.779 157 L CB -0.189 41.310 42.059 -0.934 0.000 0.922 157 L HN 0.055 nan 8.230 nan 0.000 0.443 158 R N 0.636 121.286 120.500 0.250 0.000 2.070 158 R HA -0.184 4.155 4.340 -0.001 0.000 0.233 158 R C 2.120 178.481 176.300 0.103 0.000 1.137 158 R CA 1.306 57.549 56.100 0.238 0.000 0.945 158 R CB -0.519 29.896 30.300 0.191 0.000 0.845 158 R HN 0.308 nan 8.270 nan 0.000 0.430 159 K N 1.123 121.557 120.400 0.057 0.000 2.286 159 K HA -0.116 4.204 4.320 -0.001 0.000 0.203 159 K C 2.190 178.793 176.600 0.004 0.000 1.045 159 K CA 1.619 57.921 56.287 0.025 0.000 0.935 159 K CB -0.155 32.355 32.500 0.016 0.000 0.737 159 K HN 0.224 nan 8.250 nan 0.000 0.460 160 S N 0.562 116.251 115.700 -0.018 0.000 2.522 160 S HA -0.041 4.429 4.470 -0.001 0.000 0.227 160 S C 1.028 175.632 174.600 0.007 0.000 0.986 160 S CA 0.873 59.050 58.200 -0.039 0.000 0.929 160 S CB -0.448 62.685 63.200 -0.111 0.000 0.769 160 S HN 0.300 nan 8.310 nan 0.000 0.529 161 K N 0.375 120.803 120.400 0.047 0.000 3.311 161 K HA -0.089 4.231 4.320 -0.001 0.000 0.270 161 K C 1.480 178.121 176.600 0.068 0.000 0.927 161 K CA 1.207 57.532 56.287 0.064 0.000 0.706 161 K CB -3.059 29.464 32.500 0.038 0.000 1.418 161 K HN 2.181 nan 8.250 nan 0.000 0.459 162 G N -2.769 106.091 108.800 0.101 0.000 2.168 162 G HA2 0.150 4.109 3.960 -0.001 0.000 0.257 162 G HA3 0.150 4.109 3.960 -0.001 0.000 0.257 162 G C 0.756 175.692 174.900 0.060 0.000 0.997 162 G CA 1.249 46.413 45.100 0.107 0.000 0.708 162 G HN 2.509 nan 8.290 nan 0.000 0.520 163 A N -0.437 122.401 122.820 0.030 0.000 2.366 163 A HA 0.658 4.977 4.320 -0.001 0.000 0.249 163 A C 0.845 178.428 177.584 -0.001 0.000 1.084 163 A CA -0.234 51.806 52.037 0.005 0.000 0.794 163 A CB 0.397 19.387 19.000 -0.015 0.000 1.034 163 A HN 0.839 nan 8.150 nan 0.000 0.491 164 L N 1.715 122.929 121.223 -0.014 0.000 2.418 164 L HA 0.271 4.611 4.340 -0.001 0.000 0.274 164 L C -0.573 176.259 176.870 -0.063 0.000 1.135 164 L CA -0.131 54.693 54.840 -0.028 0.000 0.870 164 L CB -0.041 42.000 42.059 -0.029 0.000 1.154 164 L HN 0.680 nan 8.230 nan 0.000 0.462 165 L N 1.168 122.338 121.223 -0.088 0.000 2.327 165 L HA 0.648 4.987 4.340 -0.001 0.000 0.258 165 L C -0.591 176.144 176.870 -0.226 0.000 1.024 165 L CA -0.792 53.954 54.840 -0.156 0.000 0.825 165 L CB 1.172 43.114 42.059 -0.196 0.000 1.386 165 L HN 0.229 nan 8.230 nan 0.000 0.417 166 D N 0.873 121.108 120.400 -0.275 0.000 2.317 166 D HA 0.156 4.795 4.640 -0.001 0.000 0.234 166 D C -0.093 175.938 176.300 -0.449 0.000 1.112 166 D CA -0.254 53.520 54.000 -0.378 0.000 0.840 166 D CB 1.123 41.743 40.800 -0.300 0.000 1.078 166 D HN 0.769 nan 8.370 nan 0.000 0.486 167 N N 2.273 120.626 118.700 -0.578 0.000 2.434 167 N HA -0.073 4.666 4.740 -0.001 0.000 0.196 167 N C 1.058 176.137 175.510 -0.717 0.000 1.183 167 N CA -0.048 52.537 53.050 -0.775 0.000 0.849 167 N CB -0.020 37.798 38.487 -1.116 0.000 0.992 167 N HN 0.196 nan 8.380 nan 0.000 0.460 168 T N 1.109 115.357 114.554 -0.510 0.000 2.674 168 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 168 T C 1.600 175.923 174.700 -0.628 0.000 1.039 168 T CA 0.860 62.657 62.100 -0.506 0.000 1.150 168 T CB -0.227 68.388 68.868 -0.422 0.000 0.864 168 T HN 0.150 nan 8.240 nan 0.000 0.427 169 L N 1.154 122.097 121.223 -0.467 0.000 2.046 169 L HA 0.067 4.407 4.340 -0.001 0.000 0.208 169 L C 2.214 178.898 176.870 -0.310 0.000 1.077 169 L CA 1.468 56.103 54.840 -0.342 0.000 0.747 169 L CB -1.319 40.599 42.059 -0.234 0.000 0.896 169 L HN 0.206 nan 8.230 nan 0.000 0.432 170 L N -1.206 119.771 121.223 -0.411 0.000 2.042 170 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 170 L C 2.250 178.973 176.870 -0.244 0.000 1.076 170 L CA 1.872 56.448 54.840 -0.439 0.000 0.749 170 L CB -0.830 40.859 42.059 -0.616 0.000 0.893 170 L HN 0.171 nan 8.230 nan 0.000 0.432 171 F N -0.949 118.812 119.950 -0.315 0.000 2.325 171 F HA -0.065 4.461 4.527 -0.001 0.000 0.299 171 F C 2.540 178.264 175.800 -0.127 0.000 1.090 171 F CA 0.725 58.584 58.000 -0.236 0.000 1.392 171 F CB -1.111 37.795 39.000 -0.156 0.000 1.053 171 F HN 0.255 nan 8.300 nan 0.000 0.521 172 H N -0.706 118.308 119.070 -0.094 0.000 2.357 172 H HA -0.039 4.517 4.556 -0.001 0.000 0.301 172 H C 2.408 177.687 175.328 -0.082 0.000 1.082 172 H CA 1.259 57.147 56.048 -0.266 0.000 1.342 172 H CB -0.708 28.787 29.762 -0.445 0.000 1.389 172 H HN 0.048 nan 8.280 nan 0.000 0.511 173 S N 0.863 116.619 115.700 0.094 0.000 2.356 173 S HA -0.116 4.354 4.470 -0.001 0.000 0.223 173 S C 2.341 177.108 174.600 0.277 0.000 1.032 173 S CA 1.405 59.751 58.200 0.243 0.000 1.005 173 S CB -0.371 62.811 63.200 -0.030 0.000 0.867 173 S HN 0.611 nan 8.310 nan 0.000 0.449 174 I N 1.382 121.964 120.570 0.021 0.000 2.394 174 I HA -0.118 4.051 4.170 -0.001 0.000 0.251 174 I C 2.311 178.522 176.117 0.157 0.000 1.136 174 I CA 1.708 63.007 61.300 -0.002 0.000 1.425 174 I CB -1.034 36.716 38.000 -0.416 0.000 1.079 174 I HN 0.328 nan 8.210 nan 0.000 0.425 175 T N -1.932 112.717 114.554 0.159 0.000 2.937 175 T HA 0.051 4.400 4.350 -0.001 0.000 0.260 175 T C 1.988 176.912 174.700 0.374 0.000 1.051 175 T CA 1.083 63.362 62.100 0.297 0.000 1.141 175 T CB -0.503 68.496 68.868 0.219 0.000 0.879 175 T HN 0.347 nan 8.240 nan 0.000 0.459 176 S N 2.201 118.162 115.700 0.434 0.000 2.365 176 S HA -0.155 4.315 4.470 -0.001 0.000 0.225 176 S C 2.169 177.179 174.600 0.683 0.000 1.039 176 S CA 1.260 59.855 58.200 0.658 0.000 1.033 176 S CB -0.674 62.872 63.200 0.576 0.000 0.887 176 S HN 0.486 nan 8.310 nan 0.000 0.447 177 N N 1.336 120.439 118.700 0.672 0.000 2.149 177 N HA -0.061 4.678 4.740 -0.001 0.000 0.188 177 N C 1.539 177.312 175.510 0.438 0.000 1.019 177 N CA 0.843 54.254 53.050 0.601 0.000 0.857 177 N CB -0.438 38.334 38.487 0.475 0.000 0.997 177 N HN 0.281 nan 8.380 nan 0.000 0.426 178 I N 1.140 121.937 120.570 0.378 0.000 2.208 178 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 178 I C 2.035 178.266 176.117 0.190 0.000 1.097 178 I CA 0.859 62.315 61.300 0.260 0.000 1.363 178 I CB -1.059 37.075 38.000 0.224 0.000 1.051 178 I HN 0.069 nan 8.210 nan 0.000 0.413 179 I N 0.842 121.522 120.570 0.183 0.000 2.202 179 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 179 I C 2.905 179.135 176.117 0.188 0.000 1.091 179 I CA 1.098 62.433 61.300 0.059 0.000 1.368 179 I CB -1.492 36.386 38.000 -0.203 0.000 1.058 179 I HN 0.265 nan 8.210 nan 0.000 0.410 180 C N 0.443 120.006 119.300 0.438 0.000 2.401 180 C HA -0.174 4.285 4.460 -0.001 0.000 0.276 180 C C 3.351 178.626 174.990 0.475 0.000 1.233 180 C CA 1.507 60.916 59.018 0.651 0.000 1.753 180 C CB -1.196 27.133 27.740 0.981 0.000 2.029 180 C HN 0.631 nan 8.230 nan 0.000 0.478 181 S N 0.612 116.517 115.700 0.342 0.000 2.368 181 S HA -0.057 4.412 4.470 -0.001 0.000 0.224 181 S C 1.689 176.421 174.600 0.220 0.000 1.029 181 S CA 1.388 59.737 58.200 0.249 0.000 0.988 181 S CB -0.423 62.891 63.200 0.190 0.000 0.838 181 S HN 0.626 nan 8.310 nan 0.000 0.462 182 I N 0.834 121.513 120.570 0.182 0.000 2.493 182 I HA -0.063 4.106 4.170 -0.001 0.000 0.254 182 I C 2.097 178.353 176.117 0.230 0.000 1.160 182 I CA 0.791 62.195 61.300 0.172 0.000 1.445 182 I CB -0.168 37.889 38.000 0.094 0.000 1.086 182 I HN 0.272 nan 8.210 nan 0.000 0.433 183 V N -0.444 119.557 119.914 0.145 0.000 2.521 183 V HA -0.046 4.073 4.120 -0.001 0.000 0.239 183 V C 1.590 177.693 176.094 0.016 0.000 1.053 183 V CA 1.149 63.460 62.300 0.020 0.000 1.073 183 V CB -0.217 31.388 31.823 -0.363 0.000 0.746 183 V HN 0.174 nan 8.190 nan 0.000 0.476 184 F N 0.847 120.980 119.950 0.305 0.000 2.765 184 F HA 0.457 4.983 4.527 -0.001 0.000 0.302 184 F C 1.916 177.930 175.800 0.358 0.000 1.111 184 F CA 0.654 58.860 58.000 0.343 0.000 1.359 184 F CB -0.169 39.056 39.000 0.375 0.000 1.097 184 F HN 0.273 nan 8.300 nan 0.000 0.577 185 G N -0.342 108.708 108.800 0.417 0.000 2.320 185 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.242 185 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.242 185 G C 0.414 175.432 174.900 0.197 0.000 1.033 185 G CA 0.394 45.673 45.100 0.298 0.000 0.620 185 G HN 0.657 nan 8.290 nan 0.000 0.517 186 K N 0.345 120.857 120.400 0.187 0.000 2.502 186 K HA 0.858 5.177 4.320 -0.001 0.000 0.257 186 K C 0.249 176.878 176.600 0.048 0.000 0.938 186 K CA 0.262 56.597 56.287 0.080 0.000 0.819 186 K CB 0.925 33.429 32.500 0.006 0.000 1.333 186 K HN 1.298 nan 8.250 nan 0.000 0.434 187 R N 0.265 120.792 120.500 0.045 0.000 2.774 187 R HA 0.572 4.911 4.340 -0.001 0.000 0.269 187 R C -0.833 175.412 176.300 -0.092 0.000 1.068 187 R CA -0.222 55.920 56.100 0.070 0.000 1.180 187 R CB 0.269 30.617 30.300 0.079 0.000 1.077 187 R HN 0.432 nan 8.270 nan 0.000 0.513 188 F N -0.328 119.597 119.950 -0.042 0.000 2.450 188 F HA 0.188 4.715 4.527 -0.001 0.000 0.328 188 F C 0.373 175.964 175.800 -0.349 0.000 1.068 188 F CA -0.388 57.506 58.000 -0.176 0.000 1.007 188 F CB 1.441 40.270 39.000 -0.286 0.000 1.251 188 F HN 0.659 nan 8.300 nan 0.000 0.492 189 D N -0.040 120.338 120.400 -0.037 0.000 2.256 189 D HA 0.095 4.734 4.640 -0.001 0.000 0.250 189 D C 0.505 176.711 176.300 -0.158 0.000 1.093 189 D CA -0.063 53.842 54.000 -0.158 0.000 0.882 189 D CB 0.562 41.331 40.800 -0.052 0.000 1.185 189 D HN 0.308 nan 8.370 nan 0.000 0.437 190 Y N 2.376 122.560 120.300 -0.193 0.000 2.446 190 Y HA -0.096 4.453 4.550 -0.001 0.000 0.287 190 Y C 2.237 178.163 175.900 0.043 0.000 1.159 190 Y CA 1.484 59.507 58.100 -0.128 0.000 1.297 190 Y CB -0.996 37.436 38.460 -0.047 0.000 0.974 190 Y HN 0.581 nan 8.280 nan 0.000 0.557 191 K N 0.070 120.573 120.400 0.170 0.000 2.438 191 K HA 0.145 4.464 4.320 -0.001 0.000 0.206 191 K C 0.119 176.801 176.600 0.137 0.000 1.081 191 K CA 0.310 56.686 56.287 0.148 0.000 1.053 191 K CB -0.140 32.419 32.500 0.098 0.000 0.908 191 K HN 0.120 nan 8.250 nan 0.000 0.556 192 D N 1.686 122.179 120.400 0.155 0.000 2.472 192 D HA 0.022 4.661 4.640 -0.001 0.000 0.248 192 D C -1.796 174.597 176.300 0.155 0.000 1.174 192 D CA -1.726 52.382 54.000 0.179 0.000 0.883 192 D CB 1.739 42.714 40.800 0.292 0.000 1.149 192 D HN 0.095 nan 8.370 nan 0.000 0.488 193 P HA -0.036 nan 4.420 nan 0.000 0.237 193 P C 1.387 178.688 177.300 0.002 0.000 1.178 193 P CA 0.074 63.208 63.100 0.057 0.000 0.766 193 P CB 0.432 32.164 31.700 0.052 0.000 0.876 194 V N -0.757 119.156 119.914 -0.002 0.000 2.323 194 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 194 V C 2.077 177.939 176.094 -0.388 0.000 1.041 194 V CA 1.520 63.718 62.300 -0.170 0.000 1.025 194 V CB -1.256 30.459 31.823 -0.179 0.000 0.656 194 V HN 0.040 nan 8.190 nan 0.000 0.451 195 F N -0.024 119.526 119.950 -0.666 0.000 2.216 195 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 195 F C 2.050 177.659 175.800 -0.317 0.000 1.085 195 F CA 1.402 58.953 58.000 -0.750 0.000 1.326 195 F CB -0.012 38.579 39.000 -0.681 0.000 1.027 195 F HN 0.005 nan 8.300 nan 0.000 0.497 196 L N 0.116 121.284 121.223 -0.091 0.000 2.156 196 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 196 L C 2.472 179.226 176.870 -0.194 0.000 1.095 196 L CA 1.440 56.213 54.840 -0.111 0.000 0.770 196 L CB -1.298 40.759 42.059 -0.003 0.000 0.914 196 L HN 0.188 nan 8.230 nan 0.000 0.439 197 R N -0.646 119.735 120.500 -0.199 0.000 2.090 197 R HA -0.070 4.270 4.340 -0.001 0.000 0.228 197 R C 2.330 178.462 176.300 -0.280 0.000 1.110 197 R CA 0.685 56.668 56.100 -0.195 0.000 0.973 197 R CB 0.035 30.242 30.300 -0.155 0.000 0.869 197 R HN 0.255 nan 8.270 nan 0.000 0.440 198 L N 0.238 121.243 121.223 -0.362 0.000 2.017 198 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 198 L C 2.005 178.625 176.870 -0.417 0.000 1.073 198 L CA 1.026 55.634 54.840 -0.386 0.000 0.745 198 L CB -0.315 41.462 42.059 -0.470 0.000 0.894 198 L HN 0.246 nan 8.230 nan 0.000 0.432 199 L N -0.108 120.834 121.223 -0.467 0.000 2.187 199 L HA -0.252 4.087 4.340 -0.001 0.000 0.213 199 L C 2.011 178.785 176.870 -0.161 0.000 1.100 199 L CA 1.710 56.384 54.840 -0.276 0.000 0.765 199 L CB -0.842 41.064 42.059 -0.256 0.000 0.904 199 L HN 0.264 nan 8.230 nan 0.000 0.437 200 D N -1.577 118.697 120.400 -0.211 0.000 2.120 200 D HA -0.151 4.488 4.640 -0.001 0.000 0.202 200 D C 2.139 178.305 176.300 -0.223 0.000 0.972 200 D CA 0.561 54.468 54.000 -0.156 0.000 0.837 200 D CB 0.094 40.811 40.800 -0.138 0.000 0.989 200 D HN 0.102 nan 8.370 nan 0.000 0.469 201 L N -0.268 120.732 121.223 -0.371 0.000 1.956 201 L HA -0.158 4.182 4.340 -0.001 0.000 0.216 201 L C 1.936 178.465 176.870 -0.569 0.000 1.073 201 L CA 1.869 56.380 54.840 -0.548 0.000 0.762 201 L CB -0.905 40.636 42.059 -0.862 0.000 0.889 201 L HN 0.122 nan 8.230 nan 0.000 0.433 202 F N -2.301 117.326 119.950 -0.539 0.000 2.367 202 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 202 F C 1.558 176.920 175.800 -0.730 0.000 1.094 202 F CA 0.633 58.172 58.000 -0.769 0.000 1.409 202 F CB -0.067 38.129 39.000 -1.340 0.000 1.064 202 F HN 0.048 nan 8.300 nan 0.000 0.528 203 F N -0.953 118.955 119.950 -0.070 0.000 2.746 203 F HA 0.185 4.711 4.527 -0.001 0.000 0.313 203 F C 0.946 176.708 175.800 -0.064 0.000 1.095 203 F CA -0.584 57.345 58.000 -0.118 0.000 1.224 203 F CB -0.617 38.234 39.000 -0.247 0.000 1.060 203 F HN -0.268 nan 8.300 nan 0.000 0.584 204 Q N 1.781 121.632 119.800 0.085 0.000 2.262 204 Q HA 0.203 4.542 4.340 -0.001 0.000 0.272 204 Q C 0.011 176.020 176.000 0.014 0.000 1.076 204 Q CA 0.110 55.944 55.803 0.051 0.000 0.905 204 Q CB 0.652 29.399 28.738 0.015 0.000 1.182 204 Q HN 0.122 nan 8.270 nan 0.000 0.390 205 S N 4.364 120.041 115.700 -0.038 0.000 2.579 205 S HA 0.516 4.985 4.470 -0.001 0.000 0.275 205 S C -0.553 173.964 174.600 -0.139 0.000 1.345 205 S CA -0.247 57.844 58.200 -0.182 0.000 1.031 205 S CB 0.011 63.138 63.200 -0.121 0.000 0.892 205 S HN 0.541 nan 8.310 nan 0.000 0.529 206 F N -1.332 118.504 119.950 -0.190 0.000 2.645 206 F HA 0.811 5.337 4.527 -0.001 0.000 0.310 206 F C -0.445 175.234 175.800 -0.201 0.000 1.102 206 F CA -1.192 56.595 58.000 -0.355 0.000 0.952 206 F CB 1.005 39.486 39.000 -0.865 0.000 1.326 206 F HN 0.462 nan 8.300 nan 0.000 0.456 207 S N 1.197 116.973 115.700 0.126 0.000 2.599 207 S HA 0.881 5.350 4.470 -0.001 0.000 0.294 207 S C -1.357 173.435 174.600 0.320 0.000 1.094 207 S CA -0.897 57.391 58.200 0.147 0.000 0.931 207 S CB 2.099 65.336 63.200 0.062 0.000 1.093 207 S HN 0.670 nan 8.310 nan 0.000 0.488 208 L N 1.453 122.806 121.223 0.216 0.000 2.322 208 L HA 0.592 4.932 4.340 -0.001 0.000 0.281 208 L C -0.723 176.222 176.870 0.127 0.000 1.014 208 L CA -0.484 54.489 54.840 0.222 0.000 0.815 208 L CB 1.053 43.260 42.059 0.247 0.000 1.247 208 L HN 0.627 nan 8.230 nan 0.000 0.421 209 I N 1.699 122.341 120.570 0.120 0.000 2.353 209 I HA 0.495 4.664 4.170 -0.001 0.000 0.293 209 I C 0.272 176.438 176.117 0.081 0.000 0.992 209 I CA 0.171 61.523 61.300 0.086 0.000 1.268 209 I CB 1.698 39.744 38.000 0.076 0.000 1.387 209 I HN 0.577 nan 8.210 nan 0.000 0.478 210 S N 3.181 118.924 115.700 0.072 0.000 2.627 210 S HA 0.769 5.239 4.470 -0.001 0.000 0.283 210 S C -0.728 173.921 174.600 0.082 0.000 1.127 210 S CA -0.542 57.705 58.200 0.078 0.000 0.863 210 S CB 1.770 65.017 63.200 0.078 0.000 1.121 210 S HN 0.718 nan 8.310 nan 0.000 0.479 211 S N 1.064 116.819 115.700 0.092 0.000 2.634 211 S HA 0.565 5.034 4.470 -0.001 0.000 0.296 211 S C 0.371 175.068 174.600 0.162 0.000 1.104 211 S CA -0.686 57.584 58.200 0.116 0.000 0.920 211 S CB 0.950 64.205 63.200 0.092 0.000 1.111 211 S HN 0.723 nan 8.310 nan 0.000 0.493 212 F N 2.179 122.155 119.950 0.043 0.000 2.234 212 F HA -0.009 4.517 4.527 -0.002 0.000 0.299 212 F C 2.487 178.324 175.800 0.062 0.000 1.087 212 F CA 1.890 59.920 58.000 0.050 0.000 1.340 212 F CB -0.386 38.637 39.000 0.039 0.000 1.031 212 F HN 0.759 nan 8.300 nan 0.000 0.500 213 S N -1.056 114.658 115.700 0.025 0.000 2.368 213 S HA -0.228 4.242 4.470 -0.001 0.000 0.225 213 S C 2.268 176.835 174.600 -0.056 0.000 1.030 213 S CA 1.319 59.472 58.200 -0.078 0.000 0.999 213 S CB -1.131 62.086 63.200 0.027 0.000 0.844 213 S HN 0.442 nan 8.310 nan 0.000 0.459 214 S N 1.543 117.249 115.700 0.010 0.000 2.359 214 S HA -0.190 4.280 4.470 -0.001 0.000 0.224 214 S C 2.239 176.891 174.600 0.087 0.000 1.035 214 S CA 1.572 59.813 58.200 0.070 0.000 1.018 214 S CB -0.624 62.618 63.200 0.070 0.000 0.876 214 S HN 0.709 nan 8.310 nan 0.000 0.448 215 Q N 0.048 119.854 119.800 0.010 0.000 2.061 215 Q HA -0.094 4.245 4.340 -0.001 0.000 0.204 215 Q C 2.316 178.273 176.000 -0.072 0.000 0.984 215 Q CA 1.735 57.533 55.803 -0.009 0.000 0.846 215 Q CB -0.468 28.270 28.738 -0.001 0.000 0.902 215 Q HN 0.469 nan 8.270 nan 0.000 0.421 216 V N 0.657 120.420 119.914 -0.253 0.000 2.332 216 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 216 V C 1.934 178.024 176.094 -0.006 0.000 1.055 216 V CA 1.795 63.965 62.300 -0.217 0.000 1.038 216 V CB -0.616 30.963 31.823 -0.406 0.000 0.651 216 V HN 0.280 nan 8.190 nan 0.000 0.450 217 F N 0.925 120.844 119.950 -0.050 0.000 2.186 217 F HA -0.150 4.376 4.527 -0.000 0.000 0.299 217 F C 2.369 178.254 175.800 0.142 0.000 1.090 217 F CA 1.851 59.898 58.000 0.078 0.000 1.307 217 F CB -0.062 38.972 39.000 0.058 0.000 1.019 217 F HN 0.213 nan 8.300 nan 0.000 0.489 218 E N 0.459 120.755 120.200 0.159 0.000 2.058 218 E HA -0.261 4.089 4.350 -0.001 0.000 0.194 218 E C 2.292 178.900 176.600 0.013 0.000 0.997 218 E CA 1.811 58.271 56.400 0.101 0.000 0.801 218 E CB -0.462 29.317 29.700 0.131 0.000 0.746 218 E HN 0.445 nan 8.360 nan 0.000 0.450 219 L N 0.110 121.341 121.223 0.014 0.000 2.042 219 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 219 L C 2.505 179.366 176.870 -0.015 0.000 1.076 219 L CA 1.090 55.931 54.840 0.000 0.000 0.749 219 L CB -0.444 41.623 42.059 0.014 0.000 0.893 219 L HN 0.157 nan 8.230 nan 0.000 0.432 220 F N 0.293 120.119 119.950 -0.207 0.000 2.146 220 F HA -0.185 4.342 4.527 -0.002 0.000 0.298 220 F C 2.659 178.278 175.800 -0.302 0.000 1.096 220 F CA 1.530 59.372 58.000 -0.263 0.000 1.275 220 F CB -0.338 38.440 39.000 -0.369 0.000 1.008 220 F HN -0.107 nan 8.300 nan 0.000 0.480 221 S N -0.270 115.181 115.700 -0.416 0.000 2.382 221 S HA 0.002 4.471 4.470 -0.001 0.000 0.228 221 S C 1.825 176.280 174.600 -0.241 0.000 1.027 221 S CA 1.369 59.356 58.200 -0.355 0.000 0.991 221 S CB -0.983 62.155 63.200 -0.103 0.000 0.823 221 S HN 0.867 nan 8.310 nan 0.000 0.469 222 G N -0.305 108.353 108.800 -0.236 0.000 2.179 222 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 222 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 222 G C 0.032 174.643 174.900 -0.482 0.000 0.977 222 G CA 0.248 45.137 45.100 -0.351 0.000 0.641 222 G HN 0.461 nan 8.290 nan 0.000 0.533 223 F N -0.080 119.839 119.950 -0.052 0.000 2.520 223 F HA 0.730 5.256 4.527 -0.001 0.000 0.322 223 F C 0.289 176.112 175.800 0.038 0.000 1.103 223 F CA -1.375 56.622 58.000 -0.006 0.000 0.926 223 F CB 1.538 40.530 39.000 -0.013 0.000 1.154 223 F HN -0.101 nan 8.300 nan 0.000 0.453 224 L N 3.119 124.492 121.223 0.249 0.000 2.417 224 L HA 0.245 4.584 4.340 -0.001 0.000 0.268 224 L C 1.433 178.445 176.870 0.236 0.000 1.158 224 L CA 0.136 55.111 54.840 0.226 0.000 0.819 224 L CB 0.727 42.927 42.059 0.235 0.000 1.112 224 L HN 0.646 nan 8.230 nan 0.000 0.458 225 K N 2.170 122.701 120.400 0.218 0.000 2.097 225 K HA -0.129 4.190 4.320 -0.001 0.000 0.205 225 K C -0.005 176.739 176.600 0.240 0.000 1.050 225 K CA 0.955 57.360 56.287 0.197 0.000 0.938 225 K CB -0.011 32.596 32.500 0.177 0.000 0.718 225 K HN 0.530 nan 8.250 nan 0.000 0.442 226 Y N 0.367 120.760 120.300 0.155 0.000 2.335 226 Y HA 0.290 4.839 4.550 -0.002 0.000 0.331 226 Y C -0.730 175.312 175.900 0.238 0.000 1.094 226 Y CA -0.682 57.518 58.100 0.167 0.000 1.253 226 Y CB 0.406 38.938 38.460 0.120 0.000 1.203 226 Y HN -0.111 nan 8.280 nan 0.000 0.508 227 F N 6.944 126.532 119.950 -0.603 0.000 2.668 227 F HA 0.587 5.113 4.527 -0.001 0.000 0.309 227 F C -2.714 172.697 175.800 -0.647 0.000 1.117 227 F CA -2.618 55.001 58.000 -0.634 0.000 0.951 227 F CB 1.823 40.682 39.000 -0.235 0.000 1.323 227 F HN 0.395 nan 8.300 nan 0.000 0.451 228 P HA 0.286 nan 4.420 nan 0.000 0.268 228 P C 0.007 177.318 177.300 0.020 0.000 1.205 228 P CA 1.530 64.441 63.100 -0.315 0.000 0.771 228 P CB 0.754 32.230 31.700 -0.373 0.000 0.858 229 G N 1.925 110.731 108.800 0.010 0.000 2.143 229 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.249 229 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.249 229 G C 0.874 175.842 174.900 0.113 0.000 0.981 229 G CA 0.630 45.754 45.100 0.040 0.000 0.665 229 G HN 0.604 nan 8.290 nan 0.000 0.528 230 T N -3.353 111.257 114.554 0.093 0.000 3.088 230 T HA 0.147 4.496 4.350 -0.001 0.000 0.259 230 T C 0.892 175.626 174.700 0.058 0.000 1.122 230 T CA 1.004 63.159 62.100 0.092 0.000 1.095 230 T CB 0.174 69.105 68.868 0.104 0.000 0.930 230 T HN 0.493 nan 8.240 nan 0.000 0.508 231 H N 1.790 120.811 119.070 -0.082 0.000 2.705 231 H HA 0.398 4.953 4.556 -0.001 0.000 0.291 231 H C 1.263 176.429 175.328 -0.270 0.000 1.085 231 H CA -0.551 55.361 56.048 -0.227 0.000 1.357 231 H CB 0.827 30.302 29.762 -0.478 0.000 1.419 231 H HN 0.173 nan 8.280 nan 0.000 0.462 232 R N 2.948 123.432 120.500 -0.027 0.000 2.211 232 R HA -0.167 4.172 4.340 -0.001 0.000 0.240 232 R C 1.993 178.361 176.300 0.112 0.000 1.144 232 R CA 1.289 57.465 56.100 0.126 0.000 0.992 232 R CB 0.155 30.464 30.300 0.015 0.000 0.869 232 R HN 0.706 nan 8.270 nan 0.000 0.462 233 Q N 0.555 120.417 119.800 0.103 0.000 2.135 233 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 233 Q C 2.036 177.891 176.000 -0.242 0.000 0.981 233 Q CA 1.628 57.401 55.803 -0.049 0.000 0.856 233 Q CB -0.125 28.547 28.738 -0.111 0.000 0.902 233 Q HN 0.443 nan 8.270 nan 0.000 0.425 234 I N 0.095 120.362 120.570 -0.505 0.000 2.229 234 I HA -0.333 3.836 4.170 -0.001 0.000 0.250 234 I C 1.432 177.216 176.117 -0.556 0.000 1.096 234 I CA 1.580 62.502 61.300 -0.630 0.000 1.358 234 I CB -0.237 37.199 38.000 -0.942 0.000 1.047 234 I HN 0.282 nan 8.210 nan 0.000 0.422 235 Y N -0.338 119.883 120.300 -0.131 0.000 2.517 235 Y HA 0.054 4.603 4.550 -0.001 0.000 0.281 235 Y C 2.664 178.509 175.900 -0.091 0.000 1.125 235 Y CA 0.679 58.717 58.100 -0.102 0.000 1.283 235 Y CB -1.035 37.377 38.460 -0.080 0.000 1.042 235 Y HN 0.045 nan 8.280 nan 0.000 0.547 236 R N 1.315 121.826 120.500 0.019 0.000 2.191 236 R HA -0.243 4.096 4.340 -0.001 0.000 0.248 236 R C 1.514 177.789 176.300 -0.042 0.000 1.127 236 R CA 2.488 58.578 56.100 -0.017 0.000 0.943 236 R CB -1.559 28.712 30.300 -0.047 0.000 0.891 236 R HN 0.436 nan 8.270 nan 0.000 0.439 237 N N -0.789 117.852 118.700 -0.098 0.000 2.187 237 N HA 0.216 4.955 4.740 -0.001 0.000 0.212 237 N C 1.408 176.844 175.510 -0.124 0.000 1.152 237 N CA 0.146 53.125 53.050 -0.119 0.000 0.872 237 N CB 0.587 38.966 38.487 -0.179 0.000 1.025 237 N HN 0.410 nan 8.380 nan 0.000 0.514 238 L N 1.707 122.872 121.223 -0.097 0.000 2.023 238 L HA -0.219 4.120 4.340 -0.001 0.000 0.205 238 L C 2.863 179.724 176.870 -0.014 0.000 1.073 238 L CA 1.748 56.537 54.840 -0.085 0.000 0.745 238 L CB -0.435 41.606 42.059 -0.029 0.000 0.900 238 L HN 0.213 nan 8.230 nan 0.000 0.435 239 Q N 0.107 119.918 119.800 0.019 0.000 2.124 239 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 239 Q C 1.804 177.830 176.000 0.045 0.000 0.977 239 Q CA 1.700 57.525 55.803 0.037 0.000 0.850 239 Q CB -0.743 28.016 28.738 0.035 0.000 0.901 239 Q HN 0.660 nan 8.270 nan 0.000 0.429 240 E N 0.497 120.713 120.200 0.027 0.000 2.072 240 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 240 E C 2.022 178.673 176.600 0.085 0.000 0.985 240 E CA 1.154 57.583 56.400 0.048 0.000 0.801 240 E CB -0.330 29.381 29.700 0.019 0.000 0.750 240 E HN 0.589 nan 8.360 nan 0.000 0.452 241 I N 2.248 122.841 120.570 0.037 0.000 2.179 241 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 241 I C 2.105 178.336 176.117 0.190 0.000 1.088 241 I CA 0.936 62.281 61.300 0.074 0.000 1.357 241 I CB -1.353 36.630 38.000 -0.029 0.000 1.051 241 I HN 0.086 nan 8.210 nan 0.000 0.409 242 N N 0.923 119.702 118.700 0.133 0.000 2.061 242 N HA -0.169 4.570 4.740 -0.001 0.000 0.193 242 N C 1.830 177.444 175.510 0.173 0.000 1.030 242 N CA 2.109 55.248 53.050 0.149 0.000 0.856 242 N CB -0.351 38.194 38.487 0.097 0.000 1.023 242 N HN 0.330 nan 8.380 nan 0.000 0.424 243 T N 0.351 114.996 114.554 0.152 0.000 2.746 243 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 243 T C 1.658 176.460 174.700 0.170 0.000 1.039 243 T CA 0.802 62.983 62.100 0.135 0.000 1.142 243 T CB -0.452 68.481 68.868 0.108 0.000 0.866 243 T HN 0.259 nan 8.240 nan 0.000 0.444 244 F N 1.682 121.681 119.950 0.081 0.000 2.161 244 F HA -0.036 4.490 4.527 -0.001 0.000 0.300 244 F C 1.884 177.759 175.800 0.124 0.000 1.089 244 F CA 0.868 58.917 58.000 0.082 0.000 1.282 244 F CB -0.427 38.611 39.000 0.064 0.000 1.010 244 F HN 0.113 nan 8.300 nan 0.000 0.485 245 I N -0.028 120.812 120.570 0.449 0.000 2.252 245 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 245 I C 2.813 179.059 176.117 0.217 0.000 1.102 245 I CA 1.228 62.787 61.300 0.433 0.000 1.385 245 I CB -1.512 36.731 38.000 0.406 0.000 1.064 245 I HN 0.282 nan 8.210 nan 0.000 0.414 246 G N 0.499 109.388 108.800 0.149 0.000 2.529 246 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.219 246 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.219 246 G C 1.554 176.487 174.900 0.054 0.000 1.177 246 G CA 0.868 46.026 45.100 0.096 0.000 0.773 246 G HN 0.415 nan 8.290 nan 0.000 0.573 247 Q N -0.238 119.551 119.800 -0.018 0.000 2.061 247 Q HA -0.082 4.257 4.340 -0.001 0.000 0.204 247 Q C 2.871 178.835 176.000 -0.059 0.000 0.984 247 Q CA 1.578 57.331 55.803 -0.083 0.000 0.846 247 Q CB -0.270 28.344 28.738 -0.207 0.000 0.902 247 Q HN 0.495 nan 8.270 nan 0.000 0.421 248 S N -0.401 115.255 115.700 -0.074 0.000 2.402 248 S HA -0.090 4.379 4.470 -0.001 0.000 0.229 248 S C 1.925 176.705 174.600 0.299 0.000 1.021 248 S CA 0.639 58.913 58.200 0.124 0.000 0.974 248 S CB -0.039 63.309 63.200 0.246 0.000 0.800 248 S HN 0.194 nan 8.310 nan 0.000 0.484 249 V N 1.966 121.989 119.914 0.182 0.000 2.358 249 V HA -0.081 4.038 4.120 -0.001 0.000 0.246 249 V C 2.662 178.858 176.094 0.170 0.000 1.047 249 V CA 1.733 64.130 62.300 0.163 0.000 1.035 249 V CB -0.572 31.340 31.823 0.149 0.000 0.658 249 V HN 0.419 nan 8.190 nan 0.000 0.452 250 E N 0.798 121.070 120.200 0.119 0.000 2.006 250 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 250 E C 2.529 179.181 176.600 0.086 0.000 0.993 250 E CA 1.960 58.411 56.400 0.085 0.000 0.808 250 E CB -0.870 28.858 29.700 0.047 0.000 0.764 250 E HN 0.605 nan 8.360 nan 0.000 0.449 251 K N 1.181 121.620 120.400 0.064 0.000 2.189 251 K HA -0.257 4.062 4.320 -0.001 0.000 0.207 251 K C 2.048 178.659 176.600 0.018 0.000 1.046 251 K CA 2.276 58.575 56.287 0.020 0.000 0.928 251 K CB -1.224 31.263 32.500 -0.022 0.000 0.720 251 K HN 0.310 nan 8.250 nan 0.000 0.458 252 H N -0.869 118.226 119.070 0.042 0.000 2.307 252 H HA 0.093 4.648 4.556 -0.001 0.000 0.303 252 H C 2.406 177.758 175.328 0.039 0.000 1.073 252 H CA 1.632 57.713 56.048 0.056 0.000 1.338 252 H CB 0.126 29.941 29.762 0.089 0.000 1.389 252 H HN 0.468 nan 8.280 nan 0.000 0.503 253 R N 0.761 121.367 120.500 0.176 0.000 2.103 253 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 253 R C 2.211 178.543 176.300 0.053 0.000 1.142 253 R CA 1.268 57.424 56.100 0.093 0.000 0.960 253 R CB -0.352 29.991 30.300 0.072 0.000 0.858 253 R HN 0.348 nan 8.270 nan 0.000 0.439 254 A N 0.469 123.313 122.820 0.041 0.000 1.842 254 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 254 A C 2.371 179.961 177.584 0.010 0.000 1.206 254 A CA 2.732 54.780 52.037 0.019 0.000 0.630 254 A CB -1.552 17.453 19.000 0.009 0.000 0.839 254 A HN 0.681 nan 8.150 nan 0.000 0.447 255 T N -0.509 114.044 114.554 -0.002 0.000 2.708 255 T HA -0.066 4.283 4.350 -0.001 0.000 0.266 255 T C 1.078 175.780 174.700 0.003 0.000 1.037 255 T CA 1.046 63.139 62.100 -0.012 0.000 1.146 255 T CB -1.259 67.584 68.868 -0.041 0.000 0.865 255 T HN 0.902 nan 8.240 nan 0.000 0.435 256 L N 1.615 122.850 121.223 0.021 0.000 2.605 256 L HA 0.369 4.708 4.340 -0.001 0.000 0.296 256 L C -0.964 175.921 176.870 0.025 0.000 1.255 256 L CA 0.652 55.515 54.840 0.038 0.000 0.879 256 L CB -0.907 41.200 42.059 0.080 0.000 1.124 256 L HN 0.342 nan 8.230 nan 0.000 0.507 257 D N 2.993 123.408 120.400 0.026 0.000 2.747 257 D HA 0.415 5.054 4.640 -0.001 0.000 0.218 257 D C -2.751 173.560 176.300 0.020 0.000 1.230 257 D CA -0.505 53.505 54.000 0.018 0.000 0.774 257 D CB 2.223 43.030 40.800 0.011 0.000 1.667 257 D HN 0.389 nan 8.370 nan 0.000 0.499 258 P HA 0.207 nan 4.420 nan 0.000 0.271 258 P C 0.296 177.604 177.300 0.013 0.000 1.238 258 P CA -0.139 62.971 63.100 0.016 0.000 0.794 258 P CB 0.367 32.072 31.700 0.009 0.000 0.959 259 S N -0.864 114.844 115.700 0.013 0.000 3.033 259 S HA 0.189 4.658 4.470 -0.001 0.000 0.258 259 S C 0.978 175.591 174.600 0.023 0.000 1.207 259 S CA 0.081 58.291 58.200 0.016 0.000 1.248 259 S CB -1.757 61.451 63.200 0.013 0.000 0.932 259 S HN 0.622 nan 8.310 nan 0.000 0.472 260 N N 2.042 120.758 118.700 0.026 0.000 2.818 260 N HA 0.554 5.293 4.740 -0.001 0.000 0.301 260 N C -3.119 172.420 175.510 0.048 0.000 1.821 260 N CA -1.373 51.698 53.050 0.034 0.000 0.930 260 N CB 0.036 38.540 38.487 0.028 0.000 1.263 260 N HN 0.141 nan 8.380 nan 0.000 0.487 261 P HA 0.201 nan 4.420 nan 0.000 0.265 261 P C 1.269 178.632 177.300 0.105 0.000 1.222 261 P CA 0.168 63.315 63.100 0.078 0.000 0.767 261 P CB 0.928 32.674 31.700 0.077 0.000 0.801 262 R N 2.590 123.167 120.500 0.127 0.000 2.189 262 R HA 0.020 4.360 4.340 -0.001 0.000 0.218 262 R C 0.700 177.114 176.300 0.190 0.000 1.074 262 R CA 1.951 58.135 56.100 0.139 0.000 0.991 262 R CB -1.109 29.261 30.300 0.118 0.000 0.883 262 R HN 0.770 nan 8.270 nan 0.000 0.457 263 D N -5.588 114.949 120.400 0.229 0.000 3.010 263 D HA 0.085 4.724 4.640 -0.001 0.000 0.353 263 D C 0.254 176.711 176.300 0.261 0.000 1.415 263 D CA -0.259 53.907 54.000 0.276 0.000 0.864 263 D CB -0.630 40.362 40.800 0.320 0.000 1.445 263 D HN -0.099 nan 8.370 nan 0.000 0.516 264 F N 0.582 120.620 119.950 0.147 0.000 2.146 264 F HA 0.054 4.580 4.527 -0.001 0.000 0.298 264 F C 1.835 177.571 175.800 -0.107 0.000 1.096 264 F CA 1.215 59.203 58.000 -0.021 0.000 1.275 264 F CB -0.042 38.945 39.000 -0.021 0.000 1.008 264 F HN 0.266 nan 8.300 nan 0.000 0.480 265 I N 1.629 122.158 120.570 -0.068 0.000 2.113 265 I HA -0.332 3.837 4.170 -0.001 0.000 0.242 265 I C 2.061 178.048 176.117 -0.216 0.000 1.064 265 I CA 2.483 63.623 61.300 -0.266 0.000 1.320 265 I CB -1.455 36.123 38.000 -0.703 0.000 1.028 265 I HN 0.350 nan 8.210 nan 0.000 0.406 266 D N 0.293 120.633 120.400 -0.101 0.000 2.323 266 D HA -0.075 4.564 4.640 -0.001 0.000 0.209 266 D C 1.963 178.207 176.300 -0.093 0.000 0.973 266 D CA 0.383 54.380 54.000 -0.005 0.000 0.874 266 D CB -0.689 40.208 40.800 0.162 0.000 0.930 266 D HN 0.140 nan 8.370 nan 0.000 0.521 267 V N 0.270 120.081 119.914 -0.172 0.000 2.332 267 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 267 V C 2.231 178.114 176.094 -0.353 0.000 1.055 267 V CA 1.971 64.116 62.300 -0.258 0.000 1.038 267 V CB -0.885 30.726 31.823 -0.352 0.000 0.651 267 V HN 0.332 nan 8.190 nan 0.000 0.450 268 Y N 0.127 120.030 120.300 -0.662 0.000 2.181 268 Y HA -0.211 4.338 4.550 -0.001 0.000 0.288 268 Y C 2.237 177.968 175.900 -0.281 0.000 1.146 268 Y CA 1.674 59.441 58.100 -0.556 0.000 1.164 268 Y CB -0.139 37.934 38.460 -0.646 0.000 0.982 268 Y HN 0.154 nan 8.280 nan 0.000 0.515 269 L N -0.674 120.372 121.223 -0.295 0.000 2.046 269 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 269 L C 2.258 178.977 176.870 -0.251 0.000 1.077 269 L CA 0.758 55.424 54.840 -0.291 0.000 0.747 269 L CB -0.626 41.378 42.059 -0.091 0.000 0.896 269 L HN 0.286 nan 8.230 nan 0.000 0.432 270 L N 0.304 121.418 121.223 -0.182 0.000 2.046 270 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 270 L C 3.152 179.934 176.870 -0.148 0.000 1.077 270 L CA 2.255 57.016 54.840 -0.132 0.000 0.747 270 L CB -1.324 40.684 42.059 -0.086 0.000 0.896 270 L HN 0.201 nan 8.230 nan 0.000 0.432 271 R N -0.846 119.541 120.500 -0.187 0.000 2.316 271 R HA 0.027 4.366 4.340 -0.001 0.000 0.202 271 R C 2.148 178.332 176.300 -0.193 0.000 1.029 271 R CA 1.573 57.580 56.100 -0.154 0.000 1.018 271 R CB -1.913 28.303 30.300 -0.140 0.000 0.888 271 R HN 0.431 nan 8.270 nan 0.000 0.471 272 M N -0.800 118.628 119.600 -0.288 0.000 2.149 272 M HA 0.300 4.779 4.480 -0.001 0.000 0.261 272 M C 1.630 177.829 176.300 -0.170 0.000 1.064 272 M CA 3.048 58.162 55.300 -0.310 0.000 1.102 272 M CB -1.572 30.800 32.600 -0.379 0.000 1.369 272 M HN 1.865 nan 8.290 nan 0.000 0.408 285 H N -0.080 119.049 119.070 0.099 0.000 2.422 285 H HA 0.254 4.809 4.556 -0.001 0.000 0.303 285 H C 2.143 177.573 175.328 0.169 0.000 1.033 285 H CA 1.132 57.276 56.048 0.161 0.000 1.335 285 H CB -0.345 29.514 29.762 0.162 0.000 1.458 285 H HN 0.597 nan 8.280 nan 0.000 0.556 286 Q N 0.662 120.531 119.800 0.116 0.000 2.124 286 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 286 Q C 1.980 177.988 176.000 0.012 0.000 0.977 286 Q CA 1.417 57.257 55.803 0.062 0.000 0.850 286 Q CB -0.141 28.647 28.738 0.083 0.000 0.901 286 Q HN 0.691 nan 8.270 nan 0.000 0.429 287 N N 0.458 119.183 118.700 0.040 0.000 2.258 287 N HA -0.147 4.592 4.740 -0.001 0.000 0.187 287 N C 1.428 176.940 175.510 0.003 0.000 1.012 287 N CA 0.752 53.822 53.050 0.032 0.000 0.870 287 N CB -0.160 38.354 38.487 0.045 0.000 0.977 287 N HN 0.145 nan 8.380 nan 0.000 0.434 288 L N 0.491 121.707 121.223 -0.012 0.000 2.079 288 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 288 L C 1.836 178.638 176.870 -0.114 0.000 1.081 288 L CA 1.351 56.171 54.840 -0.034 0.000 0.752 288 L CB -0.769 41.310 42.059 0.034 0.000 0.896 288 L HN 0.274 nan 8.230 nan 0.000 0.433 289 I N -0.863 119.588 120.570 -0.198 0.000 2.252 289 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 289 I C 2.578 178.638 176.117 -0.095 0.000 1.102 289 I CA 0.747 61.948 61.300 -0.164 0.000 1.385 289 I CB -0.244 37.649 38.000 -0.180 0.000 1.064 289 I HN 0.211 nan 8.210 nan 0.000 0.414 290 L N 0.502 121.723 121.223 -0.004 0.000 2.042 290 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 290 L C 2.534 179.424 176.870 0.033 0.000 1.076 290 L CA 1.960 56.850 54.840 0.083 0.000 0.749 290 L CB -0.481 41.638 42.059 0.099 0.000 0.893 290 L HN 0.309 nan 8.230 nan 0.000 0.432 291 T N -0.720 113.815 114.554 -0.032 0.000 2.701 291 T HA -0.144 4.205 4.350 -0.001 0.000 0.263 291 T C 1.958 176.552 174.700 -0.177 0.000 1.040 291 T CA 1.408 63.475 62.100 -0.056 0.000 1.147 291 T CB -0.208 68.635 68.868 -0.042 0.000 0.865 291 T HN 0.154 nan 8.240 nan 0.000 0.426 292 V N 1.682 121.417 119.914 -0.299 0.000 2.332 292 V HA -0.144 3.975 4.120 -0.001 0.000 0.248 292 V C 2.516 178.088 176.094 -0.869 0.000 1.055 292 V CA 1.492 63.407 62.300 -0.642 0.000 1.038 292 V CB -0.692 30.664 31.823 -0.778 0.000 0.651 292 V HN 0.426 nan 8.190 nan 0.000 0.450 293 L N -0.451 120.419 121.223 -0.587 0.000 2.042 293 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 293 L C 2.676 179.244 176.870 -0.503 0.000 1.076 293 L CA 1.731 56.238 54.840 -0.555 0.000 0.749 293 L CB -0.586 41.357 42.059 -0.193 0.000 0.893 293 L HN 0.334 nan 8.230 nan 0.000 0.432 294 S N -0.057 115.517 115.700 -0.210 0.000 2.359 294 S HA -0.210 4.259 4.470 -0.001 0.000 0.222 294 S C 1.849 176.395 174.600 -0.089 0.000 1.038 294 S CA 1.335 59.515 58.200 -0.033 0.000 1.051 294 S CB -0.343 62.941 63.200 0.140 0.000 0.944 294 S HN 0.154 nan 8.310 nan 0.000 0.433 295 L N 0.916 122.051 121.223 -0.147 0.000 1.990 295 L HA -0.084 4.255 4.340 -0.001 0.000 0.213 295 L C 2.130 179.020 176.870 0.032 0.000 1.072 295 L CA 1.726 56.520 54.840 -0.076 0.000 0.755 295 L CB -1.492 40.486 42.059 -0.135 0.000 0.889 295 L HN 0.258 nan 8.230 nan 0.000 0.432 296 F N -1.465 118.341 119.950 -0.241 0.000 2.202 296 F HA -0.196 4.330 4.527 -0.001 0.000 0.301 296 F C 2.393 178.022 175.800 -0.286 0.000 1.082 296 F CA 0.564 58.378 58.000 -0.310 0.000 1.313 296 F CB -1.312 37.387 39.000 -0.501 0.000 1.024 296 F HN 0.021 nan 8.300 nan 0.000 0.495 297 F N -0.072 119.849 119.950 -0.047 0.000 2.367 297 F HA 0.062 4.589 4.527 -0.001 0.000 0.298 297 F C 2.409 178.268 175.800 0.099 0.000 1.094 297 F CA 0.582 58.532 58.000 -0.083 0.000 1.409 297 F CB -1.255 37.344 39.000 -0.667 0.000 1.064 297 F HN -0.067 nan 8.300 nan 0.000 0.528 298 A N 0.174 123.118 122.820 0.207 0.000 1.898 298 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 298 A C 2.589 180.279 177.584 0.177 0.000 1.181 298 A CA 1.771 53.920 52.037 0.186 0.000 0.620 298 A CB -1.492 17.577 19.000 0.116 0.000 0.819 298 A HN 0.376 nan 8.150 nan 0.000 0.442 299 G N -1.422 107.476 108.800 0.164 0.000 2.421 299 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.217 299 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.217 299 G C 1.521 176.512 174.900 0.151 0.000 1.143 299 G CA 1.511 46.699 45.100 0.146 0.000 0.784 299 G HN 0.413 nan 8.290 nan 0.000 0.541 300 T N 0.424 115.091 114.554 0.188 0.000 2.759 300 T HA -0.123 4.226 4.350 -0.001 0.000 0.269 300 T C 2.118 176.904 174.700 0.142 0.000 1.042 300 T CA 1.610 63.834 62.100 0.207 0.000 1.140 300 T CB -0.132 68.949 68.868 0.356 0.000 0.864 300 T HN 0.597 nan 8.240 nan 0.000 0.455 301 E N 0.287 120.586 120.200 0.165 0.000 2.110 301 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 301 E C 2.060 178.681 176.600 0.033 0.000 0.988 301 E CA 1.431 57.817 56.400 -0.022 0.000 0.804 301 E CB -0.086 29.694 29.700 0.133 0.000 0.745 301 E HN 0.376 nan 8.360 nan 0.000 0.458 302 T N -0.003 114.595 114.554 0.072 0.000 2.777 302 T HA -0.121 4.228 4.350 -0.001 0.000 0.266 302 T C 1.839 176.572 174.700 0.055 0.000 1.040 302 T CA 1.658 63.786 62.100 0.047 0.000 1.141 302 T CB -0.467 68.416 68.868 0.025 0.000 0.868 302 T HN 0.254 nan 8.240 nan 0.000 0.444 303 T N 1.671 116.277 114.554 0.087 0.000 2.652 303 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 303 T C 2.325 177.080 174.700 0.092 0.000 1.039 303 T CA 1.659 63.822 62.100 0.105 0.000 1.153 303 T CB -0.615 68.338 68.868 0.140 0.000 0.863 303 T HN 0.447 nan 8.240 nan 0.000 0.428 304 S N 0.606 116.362 115.700 0.092 0.000 2.370 304 S HA -0.170 4.299 4.470 -0.001 0.000 0.226 304 S C 2.166 176.860 174.600 0.157 0.000 1.033 304 S CA 1.970 60.241 58.200 0.119 0.000 1.011 304 S CB -0.872 62.450 63.200 0.204 0.000 0.852 304 S HN 0.515 nan 8.310 nan 0.000 0.457 305 T N 1.165 115.808 114.554 0.149 0.000 2.915 305 T HA -0.034 4.315 4.350 -0.001 0.000 0.269 305 T C 1.781 176.582 174.700 0.168 0.000 1.071 305 T CA 1.701 63.898 62.100 0.162 0.000 1.132 305 T CB -0.633 68.304 68.868 0.115 0.000 0.878 305 T HN 0.542 nan 8.240 nan 0.000 0.479 306 T N 2.185 116.809 114.554 0.117 0.000 2.812 306 T HA 0.123 4.472 4.350 -0.001 0.000 0.264 306 T C 1.968 176.758 174.700 0.149 0.000 1.042 306 T CA 0.668 62.840 62.100 0.120 0.000 1.140 306 T CB -0.312 68.591 68.868 0.059 0.000 0.870 306 T HN 0.257 nan 8.240 nan 0.000 0.445 307 L N 0.637 121.906 121.223 0.076 0.000 2.017 307 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 307 L C 2.876 179.919 176.870 0.288 0.000 1.073 307 L CA 1.452 56.291 54.840 -0.001 0.000 0.745 307 L CB -0.496 41.273 42.059 -0.483 0.000 0.894 307 L HN 0.145 nan 8.230 nan 0.000 0.432 308 R N -0.770 119.987 120.500 0.429 0.000 2.105 308 R HA -0.258 4.081 4.340 -0.001 0.000 0.239 308 R C 2.458 179.064 176.300 0.510 0.000 1.135 308 R CA 1.904 58.388 56.100 0.641 0.000 0.967 308 R CB -0.414 30.171 30.300 0.475 0.000 0.861 308 R HN 0.326 nan 8.270 nan 0.000 0.442 309 Y N 0.283 120.719 120.300 0.227 0.000 2.220 309 Y HA 0.016 4.565 4.550 -0.001 0.000 0.291 309 Y C 2.075 177.997 175.900 0.036 0.000 1.129 309 Y CA 1.603 59.766 58.100 0.105 0.000 1.161 309 Y CB -0.678 37.819 38.460 0.060 0.000 0.997 309 Y HN 0.138 nan 8.280 nan 0.000 0.522 310 G N -0.096 108.732 108.800 0.047 0.000 2.491 310 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.218 310 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.218 310 G C 1.500 176.219 174.900 -0.303 0.000 1.180 310 G CA 1.269 46.270 45.100 -0.166 0.000 0.774 310 G HN 0.442 nan 8.290 nan 0.000 0.562 311 F N 0.033 119.982 119.950 -0.003 0.000 2.186 311 F HA 0.051 4.577 4.527 -0.001 0.000 0.299 311 F C 2.436 178.101 175.800 -0.226 0.000 1.090 311 F CA 0.726 58.721 58.000 -0.008 0.000 1.307 311 F CB -0.510 38.625 39.000 0.225 0.000 1.019 311 F HN 0.097 nan 8.300 nan 0.000 0.489 312 L N 0.098 121.136 121.223 -0.307 0.000 2.013 312 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 312 L C 2.216 178.769 176.870 -0.528 0.000 1.073 312 L CA 1.734 56.149 54.840 -0.709 0.000 0.753 312 L CB -0.955 40.605 42.059 -0.831 0.000 0.890 312 L HN 0.148 nan 8.230 nan 0.000 0.432 313 L N -1.565 119.318 121.223 -0.566 0.000 2.012 313 L HA -0.292 4.047 4.340 -0.001 0.000 0.210 313 L C 2.536 179.181 176.870 -0.375 0.000 1.073 313 L CA 1.949 56.495 54.840 -0.491 0.000 0.748 313 L CB -0.253 41.469 42.059 -0.562 0.000 0.891 313 L HN 0.381 nan 8.230 nan 0.000 0.431 314 M N -1.055 118.342 119.600 -0.338 0.000 2.394 314 M HA -0.186 4.294 4.480 -0.001 0.000 0.264 314 M C 2.108 178.300 176.300 -0.180 0.000 1.073 314 M CA 1.187 56.338 55.300 -0.247 0.000 1.111 314 M CB -0.057 32.399 32.600 -0.239 0.000 1.401 314 M HN 0.258 nan 8.290 nan 0.000 0.448 315 L N -0.122 120.985 121.223 -0.194 0.000 2.056 315 L HA -0.214 4.125 4.340 -0.001 0.000 0.207 315 L C 2.467 179.192 176.870 -0.242 0.000 1.078 315 L CA 1.306 56.038 54.840 -0.179 0.000 0.749 315 L CB -0.641 41.307 42.059 -0.184 0.000 0.901 315 L HN 0.293 nan 8.230 nan 0.000 0.433 316 K N -0.166 120.008 120.400 -0.377 0.000 2.288 316 K HA -0.129 4.190 4.320 -0.001 0.000 0.201 316 K C -0.138 176.027 176.600 -0.726 0.000 1.048 316 K CA 0.980 56.916 56.287 -0.584 0.000 0.956 316 K CB 0.193 32.227 32.500 -0.776 0.000 0.746 316 K HN 0.244 nan 8.250 nan 0.000 0.461 317 Y N -0.494 119.679 120.300 -0.212 0.000 2.511 317 Y HA 0.269 4.818 4.550 -0.001 0.000 0.356 317 Y C -2.174 173.500 175.900 -0.376 0.000 1.002 317 Y CA -2.237 55.686 58.100 -0.296 0.000 1.127 317 Y CB 1.556 39.704 38.460 -0.521 0.000 1.137 317 Y HN 0.069 nan 8.280 nan 0.000 0.652 318 P HA -0.220 nan 4.420 nan 0.000 0.218 318 P C 1.007 178.339 177.300 0.054 0.000 1.148 318 P CA 2.018 65.137 63.100 0.032 0.000 0.822 318 P CB 0.036 31.787 31.700 0.085 0.000 0.784 319 H N -2.254 116.862 119.070 0.077 0.000 2.387 319 H HA -0.069 4.486 4.556 -0.001 0.000 0.299 319 H C 1.572 176.958 175.328 0.098 0.000 1.099 319 H CA 0.761 56.853 56.048 0.073 0.000 1.315 319 H CB -1.456 28.354 29.762 0.081 0.000 1.380 319 H HN -0.092 nan 8.280 nan 0.000 0.513 320 V N 1.106 120.845 119.914 -0.292 0.000 2.407 320 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 320 V C 2.358 178.487 176.094 0.059 0.000 1.055 320 V CA 2.170 64.456 62.300 -0.024 0.000 1.049 320 V CB -0.762 31.002 31.823 -0.098 0.000 0.662 320 V HN 0.594 nan 8.190 nan 0.000 0.455 321 T N -0.215 114.327 114.554 -0.021 0.000 2.788 321 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 321 T C 1.771 176.502 174.700 0.052 0.000 1.044 321 T CA 1.655 63.763 62.100 0.013 0.000 1.139 321 T CB -0.228 68.639 68.868 -0.002 0.000 0.867 321 T HN 0.622 nan 8.240 nan 0.000 0.454 322 E N 1.130 121.360 120.200 0.050 0.000 2.031 322 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 322 E C 2.607 179.224 176.600 0.029 0.000 0.994 322 E CA 0.813 57.241 56.400 0.046 0.000 0.800 322 E CB -0.149 29.582 29.700 0.052 0.000 0.752 322 E HN 0.430 nan 8.360 nan 0.000 0.447 323 R N 0.631 121.134 120.500 0.006 0.000 2.105 323 R HA -0.122 4.217 4.340 -0.001 0.000 0.239 323 R C 2.443 178.740 176.300 -0.004 0.000 1.135 323 R CA 1.083 57.114 56.100 -0.115 0.000 0.967 323 R CB -0.497 29.534 30.300 -0.449 0.000 0.861 323 R HN 0.081 nan 8.270 nan 0.000 0.442 324 V N 1.244 121.248 119.914 0.150 0.000 2.307 324 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 324 V C 2.326 178.478 176.094 0.097 0.000 1.045 324 V CA 1.734 64.143 62.300 0.181 0.000 1.024 324 V CB -0.482 31.438 31.823 0.161 0.000 0.651 324 V HN 0.310 nan 8.190 nan 0.000 0.449 325 Q N 0.098 119.941 119.800 0.072 0.000 2.135 325 Q HA -0.232 4.107 4.340 -0.001 0.000 0.204 325 Q C 2.516 178.541 176.000 0.041 0.000 0.981 325 Q CA 2.577 58.414 55.803 0.057 0.000 0.856 325 Q CB -0.334 28.437 28.738 0.054 0.000 0.902 325 Q HN 0.745 nan 8.270 nan 0.000 0.425 326 K N 0.915 121.331 120.400 0.027 0.000 2.097 326 K HA -0.172 4.147 4.320 -0.001 0.000 0.205 326 K C 1.563 178.174 176.600 0.019 0.000 1.050 326 K CA 1.585 57.878 56.287 0.011 0.000 0.938 326 K CB -0.583 31.908 32.500 -0.015 0.000 0.718 326 K HN 0.408 nan 8.250 nan 0.000 0.442 327 E N -0.320 119.901 120.200 0.035 0.000 2.152 327 E HA -0.035 4.315 4.350 -0.001 0.000 0.192 327 E C 1.998 178.639 176.600 0.069 0.000 0.983 327 E CA 0.734 57.169 56.400 0.058 0.000 0.818 327 E CB -0.179 29.584 29.700 0.105 0.000 0.758 327 E HN 0.607 nan 8.360 nan 0.000 0.467 328 I N 1.197 121.806 120.570 0.065 0.000 2.179 328 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 328 I C 2.499 178.642 176.117 0.043 0.000 1.088 328 I CA 0.894 62.226 61.300 0.054 0.000 1.357 328 I CB -0.257 37.768 38.000 0.042 0.000 1.051 328 I HN 0.076 nan 8.210 nan 0.000 0.409 329 E N 0.875 121.096 120.200 0.035 0.000 2.048 329 E HA -0.301 4.048 4.350 -0.001 0.000 0.202 329 E C 2.188 178.804 176.600 0.027 0.000 1.021 329 E CA 1.727 58.143 56.400 0.027 0.000 0.825 329 E CB -0.455 29.257 29.700 0.020 0.000 0.756 329 E HN 0.580 nan 8.360 nan 0.000 0.454 330 Q N -0.357 119.459 119.800 0.027 0.000 2.234 330 Q HA -0.101 4.238 4.340 -0.001 0.000 0.206 330 Q C 2.099 178.119 176.000 0.033 0.000 0.980 330 Q CA 1.156 56.974 55.803 0.025 0.000 0.869 330 Q CB 0.217 28.968 28.738 0.023 0.000 0.912 330 Q HN 0.103 nan 8.270 nan 0.000 0.436 331 V N -1.046 118.894 119.914 0.044 0.000 3.151 331 V HA 0.015 4.135 4.120 -0.001 0.000 0.241 331 V C 1.532 177.658 176.094 0.054 0.000 1.173 331 V CA 0.664 62.996 62.300 0.054 0.000 1.154 331 V CB 0.344 32.213 31.823 0.075 0.000 0.898 331 V HN 0.223 nan 8.190 nan 0.000 0.473 332 I N -0.634 119.968 120.570 0.053 0.000 3.616 332 I HA 0.510 4.680 4.170 -0.001 0.000 0.296 332 I C 1.282 177.421 176.117 0.036 0.000 1.226 332 I CA 0.913 62.242 61.300 0.049 0.000 1.394 332 I CB 0.232 38.263 38.000 0.052 0.000 1.171 332 I HN 0.424 nan 8.210 nan 0.000 0.442 333 G N 0.876 109.695 108.800 0.032 0.000 2.760 333 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.246 333 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.246 333 G C 0.261 175.174 174.900 0.022 0.000 1.359 333 G CA -0.037 45.078 45.100 0.024 0.000 0.861 333 G HN 0.111 nan 8.290 nan 0.000 0.541 334 S N -0.190 115.519 115.700 0.016 0.000 2.597 334 S HA 0.421 4.890 4.470 -0.001 0.000 0.224 334 S C 1.758 176.364 174.600 0.010 0.000 0.955 334 S CA 1.513 59.720 58.200 0.011 0.000 0.933 334 S CB -0.565 62.637 63.200 0.003 0.000 0.788 334 S HN 1.549 nan 8.310 nan 0.000 0.488 335 H N 1.683 120.762 119.070 0.015 0.000 2.315 335 H HA 0.412 4.967 4.556 -0.001 0.000 0.318 335 H C 1.173 176.513 175.328 0.020 0.000 1.068 335 H CA 0.598 56.655 56.048 0.015 0.000 1.465 335 H CB -0.452 29.318 29.762 0.014 0.000 1.475 335 H HN 0.554 nan 8.280 nan 0.000 0.597 336 R N 1.366 121.880 120.500 0.025 0.000 2.637 336 R HA 0.350 4.689 4.340 -0.001 0.000 0.269 336 R C -2.856 173.466 176.300 0.035 0.000 1.089 336 R CA -1.318 54.800 56.100 0.029 0.000 1.177 336 R CB -0.068 30.250 30.300 0.031 0.000 1.091 336 R HN 0.285 nan 8.270 nan 0.000 0.540 337 P HA 0.247 nan 4.420 nan 0.000 0.278 337 P C -2.474 174.852 177.300 0.044 0.000 1.238 337 P CA -1.673 61.454 63.100 0.045 0.000 0.794 337 P CB 0.203 31.933 31.700 0.050 0.000 0.955 338 P HA 0.265 nan 4.420 nan 0.000 0.270 338 P C -0.823 176.524 177.300 0.078 0.000 1.223 338 P CA 0.239 63.363 63.100 0.040 0.000 0.785 338 P CB 0.379 32.045 31.700 -0.057 0.000 0.923 339 A N 1.287 124.194 122.820 0.145 0.000 2.515 339 A HA 0.408 4.727 4.320 -0.001 0.000 0.296 339 A C 0.605 178.328 177.584 0.232 0.000 1.094 339 A CA -0.498 51.624 52.037 0.143 0.000 0.718 339 A CB 0.599 19.648 19.000 0.083 0.000 1.307 339 A HN 0.488 nan 8.150 nan 0.000 0.408 340 L N 0.433 121.738 121.223 0.137 0.000 2.127 340 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 340 L C 1.382 178.212 176.870 -0.066 0.000 1.089 340 L CA 2.739 57.603 54.840 0.039 0.000 0.757 340 L CB -0.714 41.332 42.059 -0.021 0.000 0.899 340 L HN 0.837 nan 8.230 nan 0.000 0.434 341 D N -0.708 119.686 120.400 -0.010 0.000 2.263 341 D HA -0.171 4.468 4.640 -0.001 0.000 0.208 341 D C 1.619 177.909 176.300 -0.017 0.000 0.971 341 D CA 1.081 55.064 54.000 -0.029 0.000 0.867 341 D CB -0.265 40.532 40.800 -0.006 0.000 0.929 341 D HN 0.402 nan 8.370 nan 0.000 0.492 342 D N 0.269 120.706 120.400 0.062 0.000 2.218 342 D HA -0.135 4.505 4.640 -0.001 0.000 0.204 342 D C 1.899 178.234 176.300 0.058 0.000 0.976 342 D CA 0.463 54.545 54.000 0.137 0.000 0.853 342 D CB -0.091 40.891 40.800 0.303 0.000 0.939 342 D HN 0.230 nan 8.370 nan 0.000 0.481 343 R N 0.756 121.080 120.500 -0.293 0.000 2.096 343 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 343 R C 2.092 178.252 176.300 -0.234 0.000 1.127 343 R CA 1.247 56.964 56.100 -0.638 0.000 0.968 343 R CB -0.087 29.425 30.300 -1.315 0.000 0.861 343 R HN 0.072 nan 8.270 nan 0.000 0.440 344 A N 1.039 123.759 122.820 -0.167 0.000 1.978 344 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 344 A C 1.691 179.254 177.584 -0.036 0.000 1.170 344 A CA 1.496 53.478 52.037 -0.090 0.000 0.636 344 A CB -0.153 18.804 19.000 -0.071 0.000 0.810 344 A HN 0.306 nan 8.150 nan 0.000 0.448 345 K N -1.094 119.302 120.400 -0.007 0.000 2.417 345 K HA 0.290 4.609 4.320 -0.001 0.000 0.196 345 K C -0.083 176.554 176.600 0.062 0.000 1.023 345 K CA 0.235 56.539 56.287 0.028 0.000 1.122 345 K CB 0.226 32.748 32.500 0.037 0.000 0.850 345 K HN 0.472 nan 8.250 nan 0.000 0.521 346 M N 1.267 120.912 119.600 0.075 0.000 2.952 346 M HA 0.167 4.646 4.480 -0.001 0.000 0.259 346 M C -2.067 174.299 176.300 0.109 0.000 1.306 346 M CA -1.410 53.968 55.300 0.130 0.000 0.626 346 M CB 1.197 33.935 32.600 0.231 0.000 1.423 346 M HN -0.175 nan 8.290 nan 0.000 0.459 347 P HA -0.202 nan 4.420 nan 0.000 0.222 347 P C 1.031 178.370 177.300 0.065 0.000 1.147 347 P CA 1.404 64.527 63.100 0.037 0.000 0.790 347 P CB 0.084 31.803 31.700 0.033 0.000 0.780 348 Y N 1.178 121.490 120.300 0.021 0.000 2.243 348 Y HA -0.089 4.460 4.550 -0.001 0.000 0.293 348 Y C 2.375 178.301 175.900 0.044 0.000 1.124 348 Y CA 1.898 60.013 58.100 0.025 0.000 1.159 348 Y CB -0.811 37.667 38.460 0.030 0.000 1.008 348 Y HN -0.133 nan 8.280 nan 0.000 0.527 349 T N -0.112 114.530 114.554 0.147 0.000 2.777 349 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 349 T C 1.441 176.175 174.700 0.056 0.000 1.040 349 T CA 1.544 63.708 62.100 0.107 0.000 1.141 349 T CB -0.378 68.620 68.868 0.216 0.000 0.868 349 T HN 0.340 nan 8.240 nan 0.000 0.444 350 D N 1.236 121.676 120.400 0.067 0.000 2.092 350 D HA -0.044 4.595 4.640 -0.001 0.000 0.193 350 D C 2.302 178.541 176.300 -0.101 0.000 0.994 350 D CA 1.372 55.385 54.000 0.023 0.000 0.828 350 D CB -0.377 40.398 40.800 -0.042 0.000 0.963 350 D HN 0.343 nan 8.370 nan 0.000 0.450 351 A N 0.008 122.688 122.820 -0.234 0.000 1.933 351 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 351 A C 2.583 179.979 177.584 -0.313 0.000 1.175 351 A CA 1.514 53.352 52.037 -0.331 0.000 0.628 351 A CB -0.702 18.183 19.000 -0.192 0.000 0.814 351 A HN 0.217 nan 8.150 nan 0.000 0.444 352 V N 0.002 119.729 119.914 -0.313 0.000 2.427 352 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 352 V C 2.362 178.440 176.094 -0.028 0.000 1.051 352 V CA 1.865 64.059 62.300 -0.177 0.000 1.048 352 V CB -0.583 31.131 31.823 -0.181 0.000 0.666 352 V HN 0.575 nan 8.190 nan 0.000 0.456 353 I N -0.761 119.787 120.570 -0.038 0.000 2.252 353 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 353 I C 2.483 178.550 176.117 -0.083 0.000 1.102 353 I CA 1.398 62.693 61.300 -0.007 0.000 1.385 353 I CB -0.503 37.523 38.000 0.043 0.000 1.064 353 I HN 0.337 nan 8.210 nan 0.000 0.414 354 H N 0.338 119.125 119.070 -0.472 0.000 2.289 354 H HA -0.240 4.315 4.556 -0.001 0.000 0.296 354 H C 2.140 177.184 175.328 -0.473 0.000 1.091 354 H CA 1.894 57.394 56.048 -0.912 0.000 1.274 354 H CB -0.240 28.158 29.762 -2.274 0.000 1.364 354 H HN 0.215 nan 8.280 nan 0.000 0.490 355 E N 0.543 120.615 120.200 -0.214 0.000 2.085 355 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 355 E C 2.189 178.915 176.600 0.210 0.000 0.994 355 E CA 1.088 57.523 56.400 0.057 0.000 0.801 355 E CB -0.375 29.189 29.700 -0.225 0.000 0.743 355 E HN 0.467 nan 8.360 nan 0.000 0.453 356 I N 0.504 121.228 120.570 0.256 0.000 2.151 356 I HA -0.376 3.793 4.170 -0.001 0.000 0.243 356 I C 2.474 178.729 176.117 0.229 0.000 1.080 356 I CA 1.652 63.135 61.300 0.304 0.000 1.339 356 I CB -0.410 37.700 38.000 0.183 0.000 1.039 356 I HN 0.258 nan 8.210 nan 0.000 0.409 357 Q N -0.046 119.827 119.800 0.121 0.000 2.124 357 Q HA -0.231 4.108 4.340 -0.001 0.000 0.202 357 Q C 2.342 178.335 176.000 -0.012 0.000 0.977 357 Q CA 1.231 57.053 55.803 0.032 0.000 0.850 357 Q CB -0.262 28.498 28.738 0.036 0.000 0.901 357 Q HN 0.463 nan 8.270 nan 0.000 0.429 358 R N 0.870 121.427 120.500 0.095 0.000 2.066 358 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 358 R C 2.131 178.326 176.300 -0.176 0.000 1.131 358 R CA 1.010 57.088 56.100 -0.037 0.000 0.955 358 R CB -0.092 30.232 30.300 0.039 0.000 0.851 358 R HN 0.226 nan 8.270 nan 0.000 0.432 359 L N -0.380 120.831 121.223 -0.020 0.000 2.179 359 L HA 0.035 4.374 4.340 -0.001 0.000 0.208 359 L C 2.542 179.335 176.870 -0.128 0.000 1.096 359 L CA 0.973 55.844 54.840 0.051 0.000 0.779 359 L CB -0.498 41.741 42.059 0.299 0.000 0.922 359 L HN 0.423 nan 8.230 nan 0.000 0.443 360 G N -0.871 107.731 108.800 -0.331 0.000 2.440 360 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.218 360 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.218 360 G C 0.642 175.281 174.900 -0.435 0.000 1.154 360 G CA 0.861 45.455 45.100 -0.844 0.000 0.767 360 G HN 0.507 nan 8.290 nan 0.000 0.552 361 D N -1.084 119.151 120.400 -0.275 0.000 2.686 361 D HA -0.155 4.484 4.640 -0.001 0.000 0.235 361 D C 1.455 177.630 176.300 -0.208 0.000 1.160 361 D CA 0.344 54.218 54.000 -0.209 0.000 0.645 361 D CB -1.303 39.446 40.800 -0.085 0.000 1.039 361 D HN 0.359 nan 8.370 nan 0.000 0.423 362 L N -0.527 120.564 121.223 -0.220 0.000 2.376 362 L HA 0.042 4.382 4.340 -0.001 0.000 0.219 362 L C 1.326 178.117 176.870 -0.132 0.000 1.133 362 L CA 0.738 55.477 54.840 -0.169 0.000 0.816 362 L CB -0.064 41.906 42.059 -0.148 0.000 0.933 362 L HN 0.255 nan 8.230 nan 0.000 0.449 363 I N 0.127 120.604 120.570 -0.155 0.000 2.905 363 I HA 0.150 4.320 4.170 -0.001 0.000 0.297 363 I C -1.638 174.380 176.117 -0.166 0.000 1.358 363 I CA -1.015 60.210 61.300 -0.125 0.000 0.975 363 I CB 1.018 38.947 38.000 -0.118 0.000 1.857 363 I HN -0.151 nan 8.210 nan 0.000 0.612 364 P HA -0.032 nan 4.420 nan 0.000 0.225 364 P C 0.910 177.842 177.300 -0.614 0.000 1.156 364 P CA 1.187 64.048 63.100 -0.400 0.000 0.787 364 P CB 0.089 31.482 31.700 -0.512 0.000 0.802 365 F N -0.164 119.632 119.950 -0.256 0.000 2.664 365 F HA 0.387 4.913 4.527 -0.001 0.000 0.303 365 F C 1.839 177.482 175.800 -0.261 0.000 1.092 365 F CA 0.390 58.188 58.000 -0.337 0.000 1.305 365 F CB -0.629 38.026 39.000 -0.575 0.000 1.054 365 F HN 0.006 nan 8.300 nan 0.000 0.565 366 G N 0.583 109.319 108.800 -0.106 0.000 2.598 366 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.269 366 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.269 366 G C -0.688 174.181 174.900 -0.051 0.000 1.289 366 G CA -0.432 44.614 45.100 -0.090 0.000 0.926 366 G HN 0.066 nan 8.290 nan 0.000 0.567 367 V N 2.903 122.799 119.914 -0.031 0.000 2.384 367 V HA 0.486 4.605 4.120 -0.001 0.000 0.287 367 V C -1.688 174.452 176.094 0.076 0.000 1.020 367 V CA -1.020 61.304 62.300 0.039 0.000 0.850 367 V CB 1.718 33.610 31.823 0.116 0.000 0.987 367 V HN 0.661 nan 8.190 nan 0.000 0.436 368 P HA 0.146 nan 4.420 nan 0.000 0.265 368 P C -0.400 177.107 177.300 0.345 0.000 1.187 368 P CA 0.505 63.768 63.100 0.272 0.000 0.766 368 P CB 0.359 32.272 31.700 0.354 0.000 0.820 369 H N -1.004 118.135 119.070 0.114 0.000 2.995 369 H HA 0.605 5.161 4.556 -0.001 0.000 0.305 369 H C -0.364 174.978 175.328 0.024 0.000 1.510 369 H CA -0.972 55.114 56.048 0.063 0.000 1.376 369 H CB 1.881 31.693 29.762 0.084 0.000 1.918 369 H HN 0.237 nan 8.280 nan 0.000 0.709 370 T N 0.999 115.640 114.554 0.144 0.000 2.893 370 T HA 0.259 4.608 4.350 -0.001 0.000 0.293 370 T C -0.948 173.721 174.700 -0.051 0.000 1.027 370 T CA -0.620 61.487 62.100 0.012 0.000 0.988 370 T CB 1.420 70.276 68.868 -0.021 0.000 1.043 370 T HN 0.170 nan 8.240 nan 0.000 0.461 371 V N 4.244 124.074 119.914 -0.141 0.000 2.530 371 V HA 0.207 4.327 4.120 -0.001 0.000 0.282 371 V C 1.807 177.793 176.094 -0.180 0.000 1.048 371 V CA 0.260 62.398 62.300 -0.270 0.000 0.997 371 V CB 1.372 32.946 31.823 -0.415 0.000 0.987 371 V HN 1.158 nan 8.190 nan 0.000 0.477 372 T N 1.486 115.940 114.554 -0.166 0.000 3.129 372 T HA 0.173 4.523 4.350 -0.001 0.000 0.251 372 T C 0.287 174.937 174.700 -0.082 0.000 1.117 372 T CA 0.122 62.164 62.100 -0.096 0.000 1.034 372 T CB -0.202 68.630 68.868 -0.060 0.000 0.968 372 T HN 0.772 nan 8.240 nan 0.000 0.526 373 K N -0.595 119.739 120.400 -0.110 0.000 2.642 373 K HA 0.341 4.661 4.320 -0.001 0.000 0.290 373 K C -2.210 174.338 176.600 -0.085 0.000 1.006 373 K CA -1.070 55.173 56.287 -0.073 0.000 0.869 373 K CB 0.390 32.862 32.500 -0.046 0.000 1.499 373 K HN -0.226 nan 8.250 nan 0.000 0.403 374 D N 1.740 122.110 120.400 -0.050 0.000 2.533 374 D HA 0.116 4.755 4.640 -0.001 0.000 0.236 374 D C -0.611 175.672 176.300 -0.030 0.000 1.137 374 D CA 0.710 54.688 54.000 -0.037 0.000 0.867 374 D CB 0.859 41.652 40.800 -0.010 0.000 1.170 374 D HN 0.444 nan 8.370 nan 0.000 0.474 375 T N 2.744 117.283 114.554 -0.025 0.000 2.881 375 T HA 0.244 4.593 4.350 -0.001 0.000 0.290 375 T C -0.053 174.712 174.700 0.108 0.000 1.000 375 T CA -0.743 61.362 62.100 0.008 0.000 0.978 375 T CB 1.794 70.590 68.868 -0.120 0.000 0.997 375 T HN 0.151 nan 8.240 nan 0.000 0.443 376 Q N 1.902 121.790 119.800 0.146 0.000 2.267 376 Q HA 0.562 4.902 4.340 -0.001 0.000 0.255 376 Q C -1.375 174.821 176.000 0.326 0.000 0.923 376 Q CA -0.354 55.560 55.803 0.185 0.000 0.925 376 Q CB 1.155 29.961 28.738 0.114 0.000 1.195 376 Q HN 0.577 nan 8.270 nan 0.000 0.417 377 F N 2.449 122.489 119.950 0.150 0.000 2.787 377 F HA 0.271 4.797 4.527 -0.001 0.000 0.340 377 F C -0.421 175.464 175.800 0.142 0.000 1.232 377 F CA -0.493 57.620 58.000 0.188 0.000 1.051 377 F CB 0.847 40.036 39.000 0.316 0.000 1.330 377 F HN 0.607 nan 8.300 nan 0.000 0.522 378 R N 3.845 124.094 120.500 -0.418 0.000 3.502 378 R HA -0.224 4.116 4.340 -0.001 0.000 0.266 378 R C 0.968 177.038 176.300 -0.383 0.000 1.077 378 R CA 1.075 56.944 56.100 -0.385 0.000 0.718 378 R CB -1.890 28.175 30.300 -0.392 0.000 1.120 378 R HN 1.558 nan 8.270 nan 0.000 0.457 379 G N -2.185 106.445 108.800 -0.283 0.000 2.175 379 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.244 379 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.244 379 G C -0.049 174.619 174.900 -0.386 0.000 0.982 379 G CA 0.442 45.327 45.100 -0.360 0.000 0.641 379 G HN 0.444 nan 8.290 nan 0.000 0.527 380 Y N -1.405 118.950 120.300 0.091 0.000 2.686 380 Y HA 0.718 5.267 4.550 -0.001 0.000 0.330 380 Y C 0.389 176.362 175.900 0.123 0.000 1.082 380 Y CA -1.472 56.693 58.100 0.109 0.000 1.158 380 Y CB 1.913 40.456 38.460 0.138 0.000 1.333 380 Y HN 0.071 nan 8.280 nan 0.000 0.519 381 V N 2.476 122.570 119.914 0.300 0.000 2.604 381 V HA 0.406 4.525 4.120 -0.001 0.000 0.305 381 V C -0.586 175.591 176.094 0.138 0.000 1.043 381 V CA -0.842 61.567 62.300 0.181 0.000 0.888 381 V CB 1.713 33.604 31.823 0.114 0.000 0.995 381 V HN 0.471 nan 8.190 nan 0.000 0.429 382 I N 6.129 126.752 120.570 0.088 0.000 2.355 382 I HA 0.388 4.557 4.170 -0.001 0.000 0.288 382 I C -2.500 173.587 176.117 -0.050 0.000 0.999 382 I CA -2.058 59.239 61.300 -0.004 0.000 1.163 382 I CB 2.069 40.039 38.000 -0.049 0.000 1.316 382 I HN 0.375 nan 8.210 nan 0.000 0.454 383 P HA 0.025 nan 4.420 nan 0.000 0.271 383 P C -0.487 176.764 177.300 -0.082 0.000 1.218 383 P CA -0.526 62.544 63.100 -0.051 0.000 0.780 383 P CB 0.537 32.214 31.700 -0.039 0.000 0.901 384 K N 3.208 123.565 120.400 -0.072 0.000 2.547 384 K HA -0.206 4.114 4.320 -0.001 0.000 0.275 384 K C 0.383 176.935 176.600 -0.080 0.000 1.001 384 K CA 0.870 57.109 56.287 -0.079 0.000 1.111 384 K CB -0.497 31.972 32.500 -0.052 0.000 0.832 384 K HN 0.439 nan 8.250 nan 0.000 0.485 385 N N 0.782 119.426 118.700 -0.092 0.000 2.984 385 N HA -0.154 4.585 4.740 -0.001 0.000 0.227 385 N C -0.963 174.492 175.510 -0.091 0.000 0.903 385 N CA 1.503 54.504 53.050 -0.080 0.000 0.995 385 N CB -1.623 36.828 38.487 -0.060 0.000 1.065 385 N HN 0.666 nan 8.380 nan 0.000 0.585 386 T N 2.318 116.805 114.554 -0.113 0.000 2.916 386 T HA 0.142 4.491 4.350 -0.001 0.000 0.303 386 T C 0.684 175.305 174.700 -0.131 0.000 1.025 386 T CA 0.055 62.078 62.100 -0.129 0.000 1.142 386 T CB 0.927 69.710 68.868 -0.143 0.000 0.947 386 T HN 0.050 nan 8.240 nan 0.000 0.544 387 E N 1.391 121.504 120.200 -0.145 0.000 2.373 387 E HA 0.395 4.744 4.350 -0.001 0.000 0.267 387 E C -0.714 175.761 176.600 -0.209 0.000 1.032 387 E CA -0.398 55.916 56.400 -0.143 0.000 0.889 387 E CB 0.814 30.429 29.700 -0.142 0.000 0.984 387 E HN 0.216 nan 8.360 nan 0.000 0.425 388 V N 4.189 124.034 119.914 -0.114 0.000 2.577 388 V HA 0.272 4.391 4.120 -0.001 0.000 0.303 388 V C -1.009 175.109 176.094 0.040 0.000 1.042 388 V CA -0.639 61.609 62.300 -0.087 0.000 0.872 388 V CB 1.125 32.992 31.823 0.073 0.000 0.998 388 V HN 0.600 nan 8.190 nan 0.000 0.423 389 F N 5.827 125.747 119.950 -0.051 0.000 2.350 389 F HA 0.398 4.924 4.527 -0.001 0.000 0.365 389 F C -2.160 173.590 175.800 -0.084 0.000 1.122 389 F CA -2.398 55.576 58.000 -0.043 0.000 1.139 389 F CB 1.894 40.907 39.000 0.022 0.000 1.220 389 F HN 0.299 nan 8.300 nan 0.000 0.499 390 P HA 0.072 nan 4.420 nan 0.000 0.280 390 P C -0.276 176.996 177.300 -0.047 0.000 1.386 390 P CA -0.100 62.964 63.100 -0.059 0.000 0.899 390 P CB 0.826 32.427 31.700 -0.165 0.000 1.098 391 V N 5.879 125.778 119.914 -0.024 0.000 2.302 391 V HA -0.001 4.119 4.120 -0.001 0.000 0.244 391 V C 1.946 177.956 176.094 -0.140 0.000 1.160 391 V CA 0.377 62.614 62.300 -0.105 0.000 1.127 391 V CB -0.746 31.036 31.823 -0.069 0.000 1.253 391 V HN 0.558 nan 8.190 nan 0.000 0.496 392 L N 2.448 123.568 121.223 -0.171 0.000 2.127 392 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 392 L C 2.569 179.350 176.870 -0.148 0.000 1.089 392 L CA 1.748 56.492 54.840 -0.159 0.000 0.757 392 L CB -0.470 41.479 42.059 -0.183 0.000 0.899 392 L HN 0.706 nan 8.230 nan 0.000 0.434 393 S N -0.187 115.400 115.700 -0.188 0.000 2.400 393 S HA -0.188 4.281 4.470 -0.001 0.000 0.232 393 S C 2.197 176.845 174.600 0.079 0.000 1.025 393 S CA 1.658 59.813 58.200 -0.075 0.000 0.993 393 S CB -0.163 62.926 63.200 -0.185 0.000 0.808 393 S HN 0.638 nan 8.310 nan 0.000 0.478 394 S N 0.453 116.157 115.700 0.006 0.000 2.461 394 S HA 0.285 4.754 4.470 -0.001 0.000 0.228 394 S C 1.918 176.576 174.600 0.096 0.000 1.005 394 S CA 0.679 58.924 58.200 0.075 0.000 0.942 394 S CB -0.370 62.875 63.200 0.075 0.000 0.776 394 S HN 0.597 nan 8.310 nan 0.000 0.514 395 A N 2.272 125.117 122.820 0.040 0.000 1.874 395 A HA 0.327 4.646 4.320 -0.001 0.000 0.214 395 A C 2.186 179.836 177.584 0.110 0.000 1.189 395 A CA 0.956 53.019 52.037 0.043 0.000 0.615 395 A CB -0.808 18.170 19.000 -0.037 0.000 0.830 395 A HN 0.518 nan 8.150 nan 0.000 0.443 396 L N -1.192 120.009 121.223 -0.038 0.000 2.362 396 L HA -0.117 4.223 4.340 -0.001 0.000 0.219 396 L C 1.194 177.752 176.870 -0.520 0.000 1.134 396 L CA 0.980 55.667 54.840 -0.255 0.000 0.807 396 L CB -0.425 41.401 42.059 -0.388 0.000 0.927 396 L HN 0.525 nan 8.230 nan 0.000 0.447 397 H N -2.579 116.478 119.070 -0.022 0.000 2.662 397 H HA 0.144 4.699 4.556 -0.001 0.000 0.268 397 H C -0.191 175.225 175.328 0.147 0.000 1.152 397 H CA -0.565 55.479 56.048 -0.007 0.000 1.072 397 H CB 0.233 29.979 29.762 -0.026 0.000 1.660 397 H HN -0.022 nan 8.280 nan 0.000 0.584 398 D N 2.087 122.697 120.400 0.351 0.000 2.363 398 D HA -0.013 4.626 4.640 -0.001 0.000 0.263 398 D C -1.565 174.902 176.300 0.277 0.000 1.258 398 D CA -1.894 52.288 54.000 0.303 0.000 0.907 398 D CB 1.350 42.329 40.800 0.299 0.000 1.107 398 D HN 0.164 nan 8.370 nan 0.000 0.495 399 P HA -0.065 nan 4.420 nan 0.000 0.222 399 P C 0.896 178.215 177.300 0.031 0.000 1.147 399 P CA 0.876 64.045 63.100 0.114 0.000 0.790 399 P CB 0.233 31.983 31.700 0.083 0.000 0.780 400 R N -2.257 118.251 120.500 0.014 0.000 2.280 400 R HA -0.029 4.310 4.340 -0.001 0.000 0.207 400 R C 1.154 177.152 176.300 -0.503 0.000 1.043 400 R CA 1.053 57.038 56.100 -0.192 0.000 1.006 400 R CB -0.416 29.778 30.300 -0.177 0.000 0.885 400 R HN 0.342 nan 8.270 nan 0.000 0.467 401 Y N -1.953 118.203 120.300 -0.240 0.000 2.423 401 Y HA 0.283 4.832 4.550 -0.001 0.000 0.257 401 Y C -0.104 175.246 175.900 -0.918 0.000 1.087 401 Y CA -0.447 57.317 58.100 -0.561 0.000 1.258 401 Y CB 0.876 38.925 38.460 -0.685 0.000 1.237 401 Y HN -0.192 nan 8.280 nan 0.000 0.517 402 F N 0.082 119.964 119.950 -0.114 0.000 2.518 402 F HA 0.330 4.856 4.527 -0.001 0.000 0.323 402 F C 0.893 176.631 175.800 -0.104 0.000 1.129 402 F CA -1.100 56.687 58.000 -0.355 0.000 0.920 402 F CB 1.730 40.299 39.000 -0.718 0.000 1.160 402 F HN -0.133 nan 8.300 nan 0.000 0.440 403 E N 0.391 120.741 120.200 0.250 0.000 2.051 403 E HA -0.104 4.245 4.350 -0.001 0.000 0.192 403 E C 0.501 177.249 176.600 0.246 0.000 0.991 403 E CA 1.508 58.032 56.400 0.208 0.000 0.799 403 E CB 0.023 29.822 29.700 0.165 0.000 0.748 403 E HN 0.559 nan 8.360 nan 0.000 0.449 404 T N -1.512 113.310 114.554 0.446 0.000 3.060 404 T HA 0.292 4.641 4.350 -0.001 0.000 0.367 404 T C -2.578 172.301 174.700 0.299 0.000 1.229 404 T CA -2.158 60.111 62.100 0.283 0.000 1.104 404 T CB 1.632 70.613 68.868 0.188 0.000 1.083 404 T HN -0.251 nan 8.240 nan 0.000 0.524 405 P HA -0.010 nan 4.420 nan 0.000 0.217 405 P C 0.735 178.161 177.300 0.210 0.000 1.150 405 P CA 1.002 64.191 63.100 0.149 0.000 0.832 405 P CB -0.020 31.793 31.700 0.188 0.000 0.787 406 N N -2.270 116.548 118.700 0.198 0.000 2.270 406 N HA 0.063 4.802 4.740 -0.001 0.000 0.198 406 N C -0.470 175.152 175.510 0.186 0.000 1.117 406 N CA 0.350 53.515 53.050 0.191 0.000 0.845 406 N CB 0.195 38.754 38.487 0.120 0.000 0.980 406 N HN -0.005 nan 8.380 nan 0.000 0.486 407 T N 0.172 114.838 114.554 0.187 0.000 2.879 407 T HA 0.205 4.555 4.350 -0.001 0.000 0.290 407 T C -0.786 174.003 174.700 0.148 0.000 0.993 407 T CA -0.725 61.478 62.100 0.171 0.000 0.975 407 T CB 1.145 70.086 68.868 0.123 0.000 0.981 407 T HN 0.049 nan 8.240 nan 0.000 0.439 408 F N 4.059 124.005 119.950 -0.007 0.000 2.612 408 F HA 0.273 4.799 4.527 -0.001 0.000 0.389 408 F C 0.649 176.339 175.800 -0.185 0.000 1.055 408 F CA 0.551 58.485 58.000 -0.110 0.000 1.232 408 F CB 0.311 39.133 39.000 -0.296 0.000 1.044 408 F HN 0.550 nan 8.300 nan 0.000 0.560 409 N N 7.517 125.748 118.700 -0.782 0.000 2.976 409 N HA 0.250 4.990 4.740 -0.001 0.000 0.220 409 N C -2.474 172.616 175.510 -0.700 0.000 1.428 409 N CA -1.553 51.089 53.050 -0.680 0.000 0.748 409 N CB 0.929 38.998 38.487 -0.697 0.000 1.484 409 N HN 0.097 nan 8.380 nan 0.000 0.578 410 P HA -0.034 nan 4.420 nan 0.000 0.222 410 P C 1.285 178.475 177.300 -0.184 0.000 1.142 410 P CA 1.160 64.032 63.100 -0.379 0.000 0.788 410 P CB 0.101 31.536 31.700 -0.441 0.000 0.767 411 G N -1.455 107.198 108.800 -0.244 0.000 2.509 411 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 411 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 411 G C 1.098 175.903 174.900 -0.158 0.000 1.124 411 G CA 0.413 45.415 45.100 -0.163 0.000 0.776 411 G HN 0.382 nan 8.290 nan 0.000 0.547 412 H N -1.081 117.879 119.070 -0.183 0.000 2.456 412 H HA -0.007 4.548 4.556 -0.001 0.000 0.296 412 H C 1.144 176.053 175.328 -0.698 0.000 1.079 412 H CA 0.953 56.768 56.048 -0.388 0.000 1.322 412 H CB 0.003 29.516 29.762 -0.416 0.000 1.388 412 H HN 0.502 nan 8.280 nan 0.000 0.538 413 F N -0.307 119.633 119.950 -0.017 0.000 2.688 413 F HA 0.272 4.798 4.527 -0.001 0.000 0.310 413 F C -0.266 175.444 175.800 -0.150 0.000 1.098 413 F CA -0.184 57.728 58.000 -0.146 0.000 1.228 413 F CB 0.699 39.493 39.000 -0.344 0.000 1.042 413 F HN -0.121 nan 8.300 nan 0.000 0.557 414 L N 0.924 122.150 121.223 0.004 0.000 2.329 414 L HA 0.414 4.753 4.340 -0.001 0.000 0.279 414 L C -0.141 176.719 176.870 -0.016 0.000 1.014 414 L CA -1.159 53.681 54.840 0.000 0.000 0.814 414 L CB 1.204 43.278 42.059 0.025 0.000 1.257 414 L HN -0.004 nan 8.230 nan 0.000 0.424 415 D N 2.103 122.496 120.400 -0.012 0.000 2.425 415 D HA 0.205 4.844 4.640 -0.001 0.000 0.274 415 D C 1.151 177.446 176.300 -0.009 0.000 1.242 415 D CA 0.027 54.018 54.000 -0.016 0.000 1.060 415 D CB 0.576 41.367 40.800 -0.015 0.000 1.112 415 D HN 0.482 nan 8.370 nan 0.000 0.561 416 A N -0.283 122.531 122.820 -0.011 0.000 1.908 416 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 416 A C 1.580 179.163 177.584 -0.002 0.000 1.181 416 A CA 1.476 53.508 52.037 -0.008 0.000 0.627 416 A CB -0.861 18.133 19.000 -0.010 0.000 0.818 416 A HN 0.619 nan 8.150 nan 0.000 0.445 417 N N -0.258 118.442 118.700 -0.000 0.000 2.421 417 N HA 0.154 4.893 4.740 -0.001 0.000 0.201 417 N C 1.030 176.546 175.510 0.010 0.000 1.198 417 N CA 0.886 53.938 53.050 0.003 0.000 0.838 417 N CB 0.040 38.528 38.487 0.001 0.000 1.011 417 N HN 0.671 nan 8.380 nan 0.000 0.463 418 G N 0.300 109.109 108.800 0.016 0.000 2.203 418 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.263 418 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.263 418 G C 0.291 175.212 174.900 0.035 0.000 1.012 418 G CA 0.431 45.552 45.100 0.035 0.000 0.749 418 G HN 0.671 nan 8.290 nan 0.000 0.512 419 A N -0.661 122.169 122.820 0.016 0.000 2.340 419 A HA 0.730 5.050 4.320 -0.001 0.000 0.268 419 A C 0.617 178.199 177.584 -0.003 0.000 1.100 419 A CA -0.222 51.820 52.037 0.008 0.000 0.803 419 A CB 0.728 19.728 19.000 -0.000 0.000 1.043 419 A HN 1.443 nan 8.150 nan 0.000 0.488 420 L N 1.530 122.742 121.223 -0.018 0.000 2.540 420 L HA 0.274 4.614 4.340 -0.001 0.000 0.276 420 L C 0.531 177.381 176.870 -0.034 0.000 1.212 420 L CA 0.929 55.741 54.840 -0.046 0.000 0.893 420 L CB 0.080 42.088 42.059 -0.084 0.000 1.138 420 L HN 0.761 nan 8.230 nan 0.000 0.491 421 K N 4.470 124.855 120.400 -0.026 0.000 2.375 421 K HA 0.615 4.934 4.320 -0.001 0.000 0.249 421 K C -0.784 175.825 176.600 0.015 0.000 0.942 421 K CA -0.915 55.365 56.287 -0.012 0.000 0.806 421 K CB 1.339 33.826 32.500 -0.022 0.000 1.227 421 K HN 0.451 nan 8.250 nan 0.000 0.430 422 R N 1.588 122.106 120.500 0.029 0.000 2.543 422 R HA 0.112 4.451 4.340 -0.001 0.000 0.277 422 R C -0.378 175.961 176.300 0.065 0.000 1.074 422 R CA -0.369 55.779 56.100 0.079 0.000 1.076 422 R CB 0.421 30.766 30.300 0.074 0.000 0.993 422 R HN 0.570 nan 8.270 nan 0.000 0.459 423 N N 1.790 120.572 118.700 0.138 0.000 2.407 423 N HA 0.024 4.763 4.740 -0.001 0.000 0.277 423 N C 0.186 175.759 175.510 0.105 0.000 0.995 423 N CA -0.228 52.843 53.050 0.035 0.000 0.903 423 N CB 1.445 39.825 38.487 -0.179 0.000 1.218 423 N HN 0.457 nan 8.380 nan 0.000 0.487 424 E N 2.100 122.296 120.200 -0.008 0.000 2.265 424 E HA -0.071 4.278 4.350 -0.001 0.000 0.196 424 E C 1.270 177.682 176.600 -0.313 0.000 0.996 424 E CA 0.695 57.013 56.400 -0.136 0.000 0.832 424 E CB -0.069 29.529 29.700 -0.169 0.000 0.756 424 E HN 0.785 nan 8.360 nan 0.000 0.491 425 G N -0.165 108.415 108.800 -0.367 0.000 2.985 425 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.209 425 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.209 425 G C 0.166 175.231 174.900 0.276 0.000 1.165 425 G CA -0.489 44.511 45.100 -0.167 0.000 0.776 425 G HN 0.138 nan 8.290 nan 0.000 0.541 426 F N 2.594 122.690 119.950 0.243 0.000 2.439 426 F HA 0.509 5.035 4.527 -0.001 0.000 0.356 426 F C 0.720 176.604 175.800 0.141 0.000 1.161 426 F CA -1.160 57.033 58.000 0.322 0.000 1.151 426 F CB 0.467 39.805 39.000 0.564 0.000 1.222 426 F HN 0.080 nan 8.300 nan 0.000 0.558 427 M N 6.807 126.159 119.600 -0.414 0.000 3.718 427 M HA 0.325 4.804 4.480 -0.001 0.000 0.421 427 M C -2.633 173.410 176.300 -0.428 0.000 1.795 427 M CA -1.179 53.909 55.300 -0.353 0.000 0.603 427 M CB 0.804 33.313 32.600 -0.152 0.000 1.428 427 M HN 0.121 nan 8.290 nan 0.000 0.514 428 P HA 0.038 nan 4.420 nan 0.000 0.231 428 P C 0.448 177.383 177.300 -0.607 0.000 1.168 428 P CA 0.915 63.622 63.100 -0.655 0.000 0.779 428 P CB -0.026 31.158 31.700 -0.860 0.000 0.844 429 F N -0.289 119.506 119.950 -0.259 0.000 2.765 429 F HA 0.238 4.764 4.527 -0.001 0.000 0.302 429 F C 1.572 177.316 175.800 -0.094 0.000 1.111 429 F CA 0.262 58.181 58.000 -0.136 0.000 1.359 429 F CB -0.408 38.530 39.000 -0.103 0.000 1.097 429 F HN -0.067 nan 8.300 nan 0.000 0.577 430 S N -0.008 115.684 115.700 -0.013 0.000 3.630 430 S HA -0.160 4.310 4.470 -0.001 0.000 0.634 430 S C -0.861 173.755 174.600 0.026 0.000 2.333 430 S CA 0.211 58.404 58.200 -0.012 0.000 2.607 430 S CB -0.905 62.307 63.200 0.019 0.000 0.329 430 S HN 0.186 nan 8.310 nan 0.000 1.712 431 L N 0.503 121.748 121.223 0.035 0.000 2.518 431 L HA 0.676 5.015 4.340 -0.001 0.000 0.257 431 L C 0.673 177.585 176.870 0.069 0.000 0.980 431 L CA -0.156 54.708 54.840 0.040 0.000 0.837 431 L CB 1.596 43.660 42.059 0.008 0.000 1.410 431 L HN 1.798 nan 8.230 nan 0.000 0.410 432 G N 1.082 109.923 108.800 0.068 0.000 2.508 432 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.220 432 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.220 432 G C 0.272 175.234 174.900 0.103 0.000 1.287 432 G CA 0.391 45.542 45.100 0.085 0.000 0.916 432 G HN 0.814 nan 8.290 nan 0.000 0.574 433 K N 0.481 120.955 120.400 0.124 0.000 2.147 433 K HA 0.012 4.331 4.320 -0.001 0.000 0.205 433 K C 1.942 178.632 176.600 0.151 0.000 1.049 433 K CA 1.605 57.966 56.287 0.124 0.000 0.936 433 K CB -0.137 32.439 32.500 0.127 0.000 0.722 433 K HN 0.420 nan 8.250 nan 0.000 0.446 434 R N 0.751 121.359 120.500 0.180 0.000 2.633 434 R HA 0.248 4.587 4.340 -0.001 0.000 0.348 434 R C 0.053 176.472 176.300 0.199 0.000 1.100 434 R CA -0.371 55.856 56.100 0.212 0.000 1.068 434 R CB 0.114 30.523 30.300 0.182 0.000 1.351 434 R HN 0.203 nan 8.270 nan 0.000 0.575 435 I N 1.029 121.688 120.570 0.149 0.000 2.948 435 I HA -0.209 3.960 4.170 -0.001 0.000 0.303 435 I C 0.751 176.947 176.117 0.132 0.000 1.224 435 I CA 0.213 61.587 61.300 0.123 0.000 1.442 435 I CB 0.475 38.520 38.000 0.076 0.000 1.328 435 I HN 0.337 nan 8.210 nan 0.000 0.578 436 C N 8.230 127.623 119.300 0.156 0.000 2.106 436 C HA -0.118 4.341 4.460 -0.001 0.000 0.402 436 C C 1.702 176.731 174.990 0.066 0.000 1.548 436 C CA -0.078 59.037 59.018 0.162 0.000 1.432 436 C CB -1.162 26.759 27.740 0.301 0.000 2.584 436 C HN 0.858 nan 8.230 nan 0.000 0.604 437 L N 5.986 127.273 121.223 0.107 0.000 2.187 437 L HA 0.080 4.419 4.340 -0.001 0.000 0.213 437 L C 2.234 179.070 176.870 -0.056 0.000 1.100 437 L CA 2.471 57.339 54.840 0.047 0.000 0.765 437 L CB -0.621 41.530 42.059 0.153 0.000 0.904 437 L HN 0.918 nan 8.230 nan 0.000 0.437 438 G N -2.035 106.735 108.800 -0.050 0.000 3.284 438 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.236 438 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.236 438 G C 1.225 175.988 174.900 -0.228 0.000 1.158 438 G CA 0.288 45.307 45.100 -0.136 0.000 0.774 438 G HN 0.464 nan 8.290 nan 0.000 0.545 439 E N 0.598 120.576 120.200 -0.370 0.000 2.086 439 E HA -0.169 4.180 4.350 -0.001 0.000 0.200 439 E C 2.446 178.669 176.600 -0.629 0.000 1.012 439 E CA 1.539 57.399 56.400 -0.900 0.000 0.812 439 E CB -0.366 28.821 29.700 -0.856 0.000 0.743 439 E HN 0.319 nan 8.360 nan 0.000 0.453 440 G N 1.082 109.661 108.800 -0.368 0.000 2.414 440 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 440 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 440 G C 1.627 176.407 174.900 -0.201 0.000 1.188 440 G CA 1.042 45.987 45.100 -0.257 0.000 0.783 440 G HN 0.291 nan 8.290 nan 0.000 0.537 441 I N 1.684 122.137 120.570 -0.194 0.000 2.151 441 I HA -0.228 3.941 4.170 -0.001 0.000 0.243 441 I C 3.296 179.357 176.117 -0.092 0.000 1.080 441 I CA 1.277 62.487 61.300 -0.150 0.000 1.339 441 I CB -0.446 37.443 38.000 -0.186 0.000 1.039 441 I HN 0.231 nan 8.210 nan 0.000 0.409 442 A N 1.127 123.905 122.820 -0.071 0.000 1.877 442 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 442 A C 2.452 180.082 177.584 0.077 0.000 1.186 442 A CA 1.523 53.594 52.037 0.057 0.000 0.620 442 A CB -0.614 18.513 19.000 0.212 0.000 0.822 442 A HN 0.342 nan 8.150 nan 0.000 0.443 443 R N -0.931 119.566 120.500 -0.004 0.000 2.096 443 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 443 R C 2.148 178.461 176.300 0.022 0.000 1.127 443 R CA 1.747 57.864 56.100 0.029 0.000 0.968 443 R CB -0.738 29.520 30.300 -0.071 0.000 0.861 443 R HN 0.524 nan 8.270 nan 0.000 0.440 444 T N 0.894 115.429 114.554 -0.032 0.000 2.812 444 T HA -0.083 4.267 4.350 -0.001 0.000 0.264 444 T C 1.534 176.202 174.700 -0.054 0.000 1.042 444 T CA 1.029 63.111 62.100 -0.029 0.000 1.140 444 T CB -0.039 68.785 68.868 -0.075 0.000 0.870 444 T HN 0.348 nan 8.240 nan 0.000 0.445 445 E N 0.857 121.000 120.200 -0.094 0.000 2.118 445 E HA -0.089 4.260 4.350 -0.001 0.000 0.195 445 E C 2.122 178.685 176.600 -0.061 0.000 0.992 445 E CA 0.872 57.147 56.400 -0.208 0.000 0.804 445 E CB -0.291 29.431 29.700 0.037 0.000 0.741 445 E HN 0.429 nan 8.360 nan 0.000 0.458 446 L N -0.245 121.025 121.223 0.079 0.000 2.093 446 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 446 L C 2.282 179.224 176.870 0.121 0.000 1.085 446 L CA 0.764 55.679 54.840 0.126 0.000 0.755 446 L CB -0.268 41.866 42.059 0.124 0.000 0.904 446 L HN 0.129 nan 8.230 nan 0.000 0.435 447 F N 0.581 120.514 119.950 -0.027 0.000 2.074 447 F HA -0.146 4.380 4.527 -0.001 0.000 0.290 447 F C 2.238 178.027 175.800 -0.019 0.000 1.118 447 F CA 1.367 59.354 58.000 -0.021 0.000 1.199 447 F CB -0.057 38.924 39.000 -0.033 0.000 1.012 447 F HN -0.190 nan 8.300 nan 0.000 0.472 448 L N -0.621 120.554 121.223 -0.080 0.000 2.042 448 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 448 L C 2.440 179.243 176.870 -0.112 0.000 1.076 448 L CA 1.197 55.917 54.840 -0.199 0.000 0.749 448 L CB -0.985 40.958 42.059 -0.192 0.000 0.893 448 L HN 0.146 nan 8.230 nan 0.000 0.432 449 F N -0.688 119.263 119.950 0.002 0.000 2.186 449 F HA -0.166 4.360 4.527 -0.001 0.000 0.299 449 F C 2.755 178.592 175.800 0.062 0.000 1.090 449 F CA 1.318 59.336 58.000 0.031 0.000 1.307 449 F CB -1.497 37.504 39.000 0.001 0.000 1.019 449 F HN 0.061 nan 8.300 nan 0.000 0.489 450 F N 0.677 120.725 119.950 0.163 0.000 2.098 450 F HA -0.156 4.370 4.527 -0.001 0.000 0.294 450 F C 2.647 178.476 175.800 0.049 0.000 1.107 450 F CA 2.059 60.113 58.000 0.090 0.000 1.234 450 F CB -1.536 37.428 39.000 -0.061 0.000 1.002 450 F HN 0.121 nan 8.300 nan 0.000 0.472 451 T N -2.718 111.748 114.554 -0.146 0.000 2.674 451 T HA -0.221 4.129 4.350 -0.001 0.000 0.265 451 T C 1.736 176.434 174.700 -0.003 0.000 1.039 451 T CA 2.150 64.154 62.100 -0.159 0.000 1.150 451 T CB -1.742 66.860 68.868 -0.443 0.000 0.864 451 T HN 0.401 nan 8.240 nan 0.000 0.427 452 T N 2.129 116.694 114.554 0.018 0.000 2.760 452 T HA -0.013 4.336 4.350 -0.001 0.000 0.269 452 T C 1.882 176.726 174.700 0.240 0.000 1.047 452 T CA 1.530 63.705 62.100 0.125 0.000 1.139 452 T CB -0.513 68.444 68.868 0.149 0.000 0.855 452 T HN 0.425 nan 8.240 nan 0.000 0.471 453 I N 0.011 120.763 120.570 0.304 0.000 2.333 453 I HA -0.021 4.148 4.170 -0.001 0.000 0.246 453 I C 2.069 178.464 176.117 0.464 0.000 1.106 453 I CA 1.090 62.643 61.300 0.420 0.000 1.411 453 I CB -0.178 38.117 38.000 0.491 0.000 1.082 453 I HN 0.195 nan 8.210 nan 0.000 0.420 454 L N 0.202 121.635 121.223 0.350 0.000 2.418 454 L HA -0.102 4.237 4.340 -0.001 0.000 0.218 454 L C 2.533 179.518 176.870 0.191 0.000 1.125 454 L CA 0.558 55.567 54.840 0.282 0.000 0.835 454 L CB -0.342 41.840 42.059 0.204 0.000 0.953 454 L HN 0.333 nan 8.230 nan 0.000 0.454 455 Q N 0.483 120.377 119.800 0.158 0.000 2.167 455 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 455 Q C 1.307 177.354 176.000 0.078 0.000 0.970 455 Q CA 1.339 57.200 55.803 0.096 0.000 0.855 455 Q CB 0.181 28.961 28.738 0.071 0.000 0.911 455 Q HN 0.577 nan 8.270 nan 0.000 0.438 456 N N -1.366 117.415 118.700 0.134 0.000 2.220 456 N HA 0.153 4.892 4.740 -0.001 0.000 0.195 456 N C -0.864 174.431 175.510 -0.359 0.000 1.123 456 N CA 0.098 53.104 53.050 -0.073 0.000 0.874 456 N CB 0.767 39.232 38.487 -0.036 0.000 0.995 456 N HN 0.023 nan 8.380 nan 0.000 0.498 457 F N -0.710 119.313 119.950 0.122 0.000 2.662 457 F HA 0.368 4.894 4.527 -0.001 0.000 0.312 457 F C 0.003 175.857 175.800 0.090 0.000 1.113 457 F CA -0.757 57.318 58.000 0.125 0.000 0.951 457 F CB 1.942 41.072 39.000 0.216 0.000 1.344 457 F HN -0.380 nan 8.300 nan 0.000 0.462 458 S N 0.662 116.521 115.700 0.265 0.000 2.709 458 S HA 0.877 5.346 4.470 -0.001 0.000 0.302 458 S C -1.161 173.470 174.600 0.052 0.000 1.127 458 S CA -0.643 57.637 58.200 0.135 0.000 0.905 458 S CB 1.561 64.811 63.200 0.082 0.000 1.151 458 S HN 0.485 nan 8.310 nan 0.000 0.510 459 I N -0.408 120.148 120.570 -0.024 0.000 2.892 459 I HA 1.025 5.195 4.170 -0.001 0.000 0.306 459 I C -0.544 175.524 176.117 -0.082 0.000 1.078 459 I CA -1.042 60.169 61.300 -0.148 0.000 1.032 459 I CB 1.919 39.801 38.000 -0.198 0.000 1.229 459 I HN 0.685 nan 8.210 nan 0.000 0.435 460 A N 2.597 125.359 122.820 -0.097 0.000 2.586 460 A HA 0.899 5.219 4.320 -0.001 0.000 0.290 460 A C -0.877 176.683 177.584 -0.040 0.000 1.086 460 A CA -0.005 52.003 52.037 -0.048 0.000 0.665 460 A CB 1.524 20.511 19.000 -0.022 0.000 1.279 460 A HN 1.383 nan 8.150 nan 0.000 0.423 461 S N -0.315 115.371 115.700 -0.023 0.000 2.567 461 S HA 0.682 5.151 4.470 -0.001 0.000 0.270 461 S C -2.672 171.922 174.600 -0.009 0.000 1.152 461 S CA -0.507 57.689 58.200 -0.007 0.000 0.835 461 S CB 1.076 64.285 63.200 0.015 0.000 1.115 461 S HN 0.306 nan 8.310 nan 0.000 0.459 462 P HA 0.039 nan 4.420 nan 0.000 0.220 462 P C -0.042 177.252 177.300 -0.010 0.000 1.144 462 P CA 0.843 63.940 63.100 -0.005 0.000 0.800 462 P CB -0.087 31.612 31.700 -0.002 0.000 0.772 463 V N 1.325 121.231 119.914 -0.013 0.000 2.407 463 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 463 V C -2.201 173.868 176.094 -0.042 0.000 1.037 463 V CA -2.169 60.116 62.300 -0.025 0.000 0.900 463 V CB 1.067 32.874 31.823 -0.026 0.000 0.983 463 V HN -0.076 nan 8.190 nan 0.000 0.459 464 P HA 0.218 nan 4.420 nan 0.000 0.271 464 P C -2.130 175.126 177.300 -0.074 0.000 1.216 464 P CA -1.406 61.666 63.100 -0.047 0.000 0.771 464 P CB 0.253 31.932 31.700 -0.035 0.000 0.864 465 P HA -0.327 nan 4.420 nan 0.000 0.218 465 P C 1.640 178.852 177.300 -0.146 0.000 1.165 465 P CA 2.706 65.723 63.100 -0.139 0.000 0.922 465 P CB -0.550 31.088 31.700 -0.104 0.000 0.794 466 E N -0.764 119.381 120.200 -0.092 0.000 2.219 466 E HA -0.211 4.138 4.350 -0.001 0.000 0.198 466 E C 1.677 178.235 176.600 -0.070 0.000 0.998 466 E CA 2.103 58.461 56.400 -0.071 0.000 0.818 466 E CB -2.027 27.650 29.700 -0.038 0.000 0.741 466 E HN 0.557 nan 8.360 nan 0.000 0.477 467 D N -0.120 120.237 120.400 -0.072 0.000 2.360 467 D HA 0.300 4.940 4.640 -0.001 0.000 0.210 467 D C 0.905 177.161 176.300 -0.073 0.000 1.047 467 D CA 0.053 54.018 54.000 -0.058 0.000 0.854 467 D CB -0.068 40.707 40.800 -0.041 0.000 0.936 467 D HN 0.387 nan 8.370 nan 0.000 0.514 468 I N 1.927 122.428 120.570 -0.115 0.000 2.668 468 I HA 0.198 4.367 4.170 -0.001 0.000 0.285 468 I C -0.366 175.681 176.117 -0.117 0.000 1.168 468 I CA 0.162 61.377 61.300 -0.141 0.000 1.424 468 I CB 0.715 38.579 38.000 -0.227 0.000 1.377 468 I HN 0.139 nan 8.210 nan 0.000 0.560 469 D N 7.002 127.354 120.400 -0.081 0.000 2.441 469 D HA 0.298 4.937 4.640 -0.001 0.000 0.231 469 D C 0.492 176.778 176.300 -0.023 0.000 1.073 469 D CA -0.436 53.540 54.000 -0.039 0.000 0.850 469 D CB 0.839 41.631 40.800 -0.013 0.000 1.062 469 D HN 0.385 nan 8.370 nan 0.000 0.524 470 L N 2.720 123.942 121.223 -0.001 0.000 2.645 470 L HA 0.129 4.468 4.340 -0.001 0.000 0.235 470 L C 0.949 177.902 176.870 0.138 0.000 1.150 470 L CA 0.036 54.916 54.840 0.067 0.000 0.911 470 L CB -0.751 41.370 42.059 0.104 0.000 1.077 470 L HN 0.415 nan 8.230 nan 0.000 0.438 471 T N -2.187 112.416 114.554 0.081 0.000 2.832 471 T HA 0.348 4.698 4.350 -0.001 0.000 0.296 471 T C -2.432 172.307 174.700 0.066 0.000 0.968 471 T CA -1.911 60.233 62.100 0.072 0.000 1.107 471 T CB 0.767 69.662 68.868 0.046 0.000 0.916 471 T HN -0.161 nan 8.240 nan 0.000 0.517 472 P HA 0.120 nan 4.420 nan 0.000 0.263 472 P C 0.970 178.291 177.300 0.035 0.000 1.195 472 P CA -0.519 62.607 63.100 0.043 0.000 0.762 472 P CB 0.580 32.287 31.700 0.012 0.000 0.799 473 R N 2.984 123.508 120.500 0.040 0.000 2.075 473 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 473 R C -0.072 176.239 176.300 0.019 0.000 1.126 473 R CA 1.162 57.281 56.100 0.031 0.000 0.963 473 R CB -0.248 30.073 30.300 0.035 0.000 0.858 473 R HN 0.456 nan 8.270 nan 0.000 0.435 474 E N 1.123 121.332 120.200 0.015 0.000 2.114 474 E HA 0.226 4.575 4.350 -0.001 0.000 0.266 474 E C -1.188 175.414 176.600 0.004 0.000 0.896 474 E CA -0.365 56.038 56.400 0.005 0.000 0.750 474 E CB 2.068 31.765 29.700 -0.006 0.000 1.121 474 E HN 0.066 nan 8.360 nan 0.000 0.413 475 S N 2.296 118.002 115.700 0.010 0.000 2.460 475 S HA 0.233 4.702 4.470 -0.001 0.000 0.211 475 S C 0.538 175.157 174.600 0.032 0.000 1.312 475 S CA -0.534 57.677 58.200 0.019 0.000 1.256 475 S CB 0.520 63.733 63.200 0.021 0.000 1.086 475 S HN 0.664 nan 8.310 nan 0.000 0.507 476 G N 0.625 109.433 108.800 0.012 0.000 3.152 476 G HA2 0.117 4.076 3.960 -0.001 0.000 0.157 476 G HA3 0.117 4.076 3.960 -0.001 0.000 0.157 476 G C 0.900 175.808 174.900 0.013 0.000 1.786 476 G CA -0.135 44.960 45.100 -0.008 0.000 1.055 476 G HN 0.351 nan 8.290 nan 0.000 0.528 477 V N 0.752 120.633 119.914 -0.056 0.000 3.573 477 V HA 0.380 4.500 4.120 -0.001 0.000 0.270 477 V C 1.211 177.342 176.094 0.062 0.000 1.221 477 V CA 1.054 63.321 62.300 -0.056 0.000 1.163 477 V CB -0.430 31.276 31.823 -0.195 0.000 0.847 477 V HN 0.717 nan 8.190 nan 0.000 0.468 478 G N -0.585 108.230 108.800 0.025 0.000 3.015 478 G HA2 0.405 4.364 3.960 -0.001 0.000 0.281 478 G HA3 0.405 4.364 3.960 -0.001 0.000 0.281 478 G C -0.938 173.953 174.900 -0.014 0.000 1.386 478 G CA -0.516 44.582 45.100 -0.004 0.000 0.959 478 G HN 0.097 nan 8.290 nan 0.000 0.522 479 N N 0.471 119.145 118.700 -0.044 0.000 2.726 479 N HA 0.229 4.968 4.740 -0.001 0.000 0.253 479 N C -0.485 174.995 175.510 -0.049 0.000 1.530 479 N CA -0.175 52.842 53.050 -0.054 0.000 0.772 479 N CB 1.682 40.110 38.487 -0.098 0.000 1.220 479 N HN 0.231 nan 8.380 nan 0.000 0.508 480 V N 2.231 122.137 119.914 -0.014 0.000 2.446 480 V HA 0.187 4.306 4.120 -0.001 0.000 0.276 480 V C -1.857 174.268 176.094 0.052 0.000 1.030 480 V CA -1.111 61.199 62.300 0.016 0.000 1.033 480 V CB 0.251 32.085 31.823 0.019 0.000 0.993 480 V HN 0.227 nan 8.190 nan 0.000 0.477 481 P HA 0.167 nan 4.420 nan 0.000 0.267 481 P C -2.531 174.865 177.300 0.159 0.000 1.200 481 P CA -1.039 62.174 63.100 0.187 0.000 0.772 481 P CB -0.219 31.669 31.700 0.314 0.000 0.855 482 P HA 0.011 nan 4.420 nan 0.000 0.269 482 P C -0.218 177.201 177.300 0.199 0.000 1.209 482 P CA 0.139 63.315 63.100 0.128 0.000 0.776 482 P CB 0.141 31.900 31.700 0.098 0.000 0.876 483 S N 2.323 118.106 115.700 0.138 0.000 2.592 483 S HA 0.565 5.034 4.470 -0.001 0.000 0.271 483 S C -0.360 174.350 174.600 0.183 0.000 1.326 483 S CA -0.124 58.148 58.200 0.120 0.000 1.024 483 S CB -0.124 63.073 63.200 -0.005 0.000 0.921 483 S HN 0.566 nan 8.310 nan 0.000 0.527 484 Y N -1.429 118.855 120.300 -0.027 0.000 2.705 484 Y HA 0.663 5.212 4.550 -0.001 0.000 0.332 484 Y C -1.068 174.803 175.900 -0.048 0.000 1.221 484 Y CA -1.431 56.650 58.100 -0.033 0.000 1.059 484 Y CB 0.734 39.176 38.460 -0.029 0.000 1.298 484 Y HN 0.626 nan 8.280 nan 0.000 0.459 485 Q N 1.928 121.739 119.800 0.017 0.000 2.348 485 Q HA 0.740 5.079 4.340 -0.001 0.000 0.271 485 Q C -1.470 174.560 176.000 0.050 0.000 1.067 485 Q CA -1.105 54.650 55.803 -0.081 0.000 0.839 485 Q CB 3.388 32.098 28.738 -0.046 0.000 1.354 485 Q HN 0.788 nan 8.270 nan 0.000 0.447 486 I N 0.402 120.957 120.570 -0.025 0.000 2.918 486 I HA 0.472 4.641 4.170 -0.001 0.000 0.301 486 I C -1.729 174.380 176.117 -0.013 0.000 1.312 486 I CA -0.835 60.467 61.300 0.004 0.000 1.007 486 I CB 2.377 40.401 38.000 0.040 0.000 1.281 486 I HN 0.629 nan 8.210 nan 0.000 0.440 487 R N 5.489 125.953 120.500 -0.059 0.000 2.534 487 R HA 0.551 4.890 4.340 -0.001 0.000 0.301 487 R C -1.687 174.583 176.300 -0.050 0.000 0.961 487 R CA -0.464 55.654 56.100 0.030 0.000 0.871 487 R CB 1.923 32.236 30.300 0.022 0.000 1.170 487 R HN 0.335 nan 8.270 nan 0.000 0.446 488 F N 3.028 122.919 119.950 -0.099 0.000 2.404 488 F HA 0.463 4.989 4.527 -0.001 0.000 0.339 488 F C 0.093 175.997 175.800 0.174 0.000 1.105 488 F CA -0.904 57.060 58.000 -0.059 0.000 1.087 488 F CB 1.136 39.873 39.000 -0.438 0.000 1.143 488 F HN 0.083 nan 8.300 nan 0.000 0.491 489 L N 3.091 124.596 121.223 0.469 0.000 2.385 489 L HA 0.635 4.974 4.340 -0.001 0.000 0.273 489 L C -0.170 176.879 176.870 0.298 0.000 0.990 489 L CA -1.200 53.846 54.840 0.344 0.000 0.821 489 L CB 1.845 43.999 42.059 0.158 0.000 1.279 489 L HN 0.695 nan 8.230 nan 0.000 0.412 490 A N 2.793 125.667 122.820 0.090 0.000 2.488 490 A HA 0.253 4.572 4.320 -0.001 0.000 0.249 490 A C 1.149 178.639 177.584 -0.158 0.000 1.083 490 A CA -0.004 51.870 52.037 -0.272 0.000 0.768 490 A CB 0.230 19.103 19.000 -0.212 0.000 1.017 490 A HN 0.936 nan 8.150 nan 0.000 0.496 491 R N 0.984 121.356 120.500 -0.215 0.000 2.075 491 R HA 0.217 4.556 4.340 -0.001 0.000 0.232 491 R C 1.105 177.369 176.300 -0.061 0.000 1.126 491 R CA 1.833 57.878 56.100 -0.093 0.000 0.963 491 R CB -0.559 29.696 30.300 -0.075 0.000 0.858 491 R HN 1.378 nan 8.270 nan 0.000 0.435 492 H N 0.000 119.025 119.070 -0.075 0.000 2.539 492 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 492 H CA 0.000 56.021 56.048 -0.045 0.000 1.023 492 H CB 0.000 29.747 29.762 -0.026 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496