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 3me6_1_A DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPSPL PVLGNLLQMD RKGLLRSFLR LREKYGDVFT VYLGSRPVVV DATA SEQUENCE LCGTDAIREA LVDQAEAFSG RGKIAVVDPI FQGYGVIFAN GERWRALRRF DATA SEQUENCE SLATMRDFGM GKRSVEERIQ EEARCLVEEL RKSKGALLDN TLLFHSITSN DATA SEQUENCE IICSIVFGKR FDYKDPVFLR LLDLFFQSFS LISSFSSQVF ELFSGFLKYF DATA SEQUENCE PGTHRQIYRN LQEINTFIGQ SVEKHRATLD PSNPRDFIDV YLLRMEKDKS DATA SEQUENCE DPSSEFHHQN 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 3.962 3.960 0.003 0.000 0.244 28 G C 0.000 174.914 174.900 0.023 0.000 0.946 28 G CA 0.000 45.103 45.100 0.005 0.000 0.502 29 K N -0.335 120.074 120.400 0.016 0.000 2.156 29 K HA 0.876 5.198 4.320 0.003 0.000 0.250 29 K C -0.086 176.665 176.600 0.252 0.000 0.955 29 K CA -0.763 55.569 56.287 0.076 0.000 0.855 29 K CB 1.332 33.816 32.500 -0.025 0.000 1.101 29 K HN 0.681 nan 8.250 nan 0.000 0.434 30 L N 2.590 123.958 121.223 0.242 0.000 2.395 30 L HA 0.300 4.642 4.340 0.003 0.000 0.269 30 L C -1.910 175.186 176.870 0.377 0.000 1.133 30 L CA -1.726 53.267 54.840 0.255 0.000 0.812 30 L CB 1.613 43.761 42.059 0.147 0.000 1.125 30 L HN 0.580 nan 8.230 nan 0.000 0.452 31 P HA 0.040 nan 4.420 nan 0.000 0.271 31 P C -2.469 174.929 177.300 0.164 0.000 1.233 31 P CA -0.608 62.430 63.100 -0.103 0.000 0.795 31 P CB -0.120 31.332 31.700 -0.413 0.000 0.936 32 P HA 0.402 nan 4.420 nan 0.000 0.274 32 P C -0.173 177.125 177.300 -0.003 0.000 1.260 32 P CA 0.373 63.586 63.100 0.188 0.000 0.793 32 P CB 0.331 32.204 31.700 0.288 0.000 1.048 33 G N -0.775 107.872 108.800 -0.255 0.000 2.350 33 G HA2 0.256 4.218 3.960 0.003 0.000 0.304 33 G HA3 0.256 4.218 3.960 0.003 0.000 0.304 33 G C -3.251 171.288 174.900 -0.602 0.000 1.421 33 G CA -0.812 43.735 45.100 -0.922 0.000 0.934 33 G HN 0.385 nan 8.290 nan 0.000 0.632 34 P HA 0.383 nan 4.420 nan 0.000 0.273 34 P C -0.025 177.254 177.300 -0.035 0.000 1.250 34 P CA -0.166 62.868 63.100 -0.110 0.000 0.793 34 P CB 0.711 32.412 31.700 0.002 0.000 1.011 35 S N 1.233 116.929 115.700 -0.008 0.000 2.430 35 S HA 0.375 4.846 4.470 0.003 0.000 0.289 35 S C -2.193 172.346 174.600 -0.103 0.000 1.143 35 S CA -1.147 57.020 58.200 -0.055 0.000 1.067 35 S CB -0.141 63.044 63.200 -0.026 0.000 0.964 35 S HN 0.381 nan 8.310 nan 0.000 0.485 36 P HA 0.310 nan 4.420 nan 0.000 0.287 36 P C -0.931 176.256 177.300 -0.188 0.000 1.294 36 P CA -0.712 62.218 63.100 -0.283 0.000 0.776 36 P CB 0.403 31.637 31.700 -0.777 0.000 0.889 37 L N 7.102 128.264 121.223 -0.101 0.000 2.500 37 L HA 0.236 4.578 4.340 0.003 0.000 0.272 37 L C -1.897 174.923 176.870 -0.082 0.000 1.149 37 L CA -0.913 53.880 54.840 -0.078 0.000 0.897 37 L CB -0.723 41.306 42.059 -0.051 0.000 1.178 37 L HN 0.275 nan 8.230 nan 0.000 0.473 38 P HA 0.206 nan 4.420 nan 0.000 0.272 38 P C 0.843 178.116 177.300 -0.045 0.000 1.223 38 P CA -0.020 63.042 63.100 -0.064 0.000 0.784 38 P CB 1.036 32.701 31.700 -0.057 0.000 0.923 39 V N 0.338 120.240 119.914 -0.019 0.000 0.516 39 V HA -0.327 3.795 4.120 0.003 0.000 0.092 39 V C 1.783 177.864 176.094 -0.022 0.000 2.243 39 V CA 2.174 64.457 62.300 -0.028 0.000 3.573 39 V CB -1.848 29.932 31.823 -0.072 0.000 0.862 39 V HN 0.551 nan 8.190 nan 0.000 0.902 40 L N 0.243 121.437 121.223 -0.050 0.000 2.478 40 L HA 0.301 4.642 4.340 0.003 0.000 0.223 40 L C 1.976 178.912 176.870 0.111 0.000 1.140 40 L CA 1.178 56.015 54.840 -0.007 0.000 0.842 40 L CB -0.687 41.326 42.059 -0.077 0.000 0.953 40 L HN 0.863 nan 8.230 nan 0.000 0.452 41 G N 1.545 110.394 108.800 0.082 0.000 2.698 41 G HA2 -0.441 3.521 3.960 0.003 0.000 0.337 41 G HA3 -0.441 3.521 3.960 0.003 0.000 0.337 41 G C 0.566 175.523 174.900 0.095 0.000 1.196 41 G CA 0.952 46.124 45.100 0.120 0.000 0.965 41 G HN 0.527 nan 8.290 nan 0.000 0.550 42 N N 0.349 119.134 118.700 0.142 0.000 2.299 42 N HA 0.336 5.078 4.740 0.003 0.000 0.246 42 N C 1.516 177.088 175.510 0.103 0.000 1.254 42 N CA 0.018 53.135 53.050 0.112 0.000 0.879 42 N CB 0.619 39.187 38.487 0.135 0.000 1.214 42 N HN 0.359 nan 8.380 nan 0.000 0.510 43 L N 0.781 122.078 121.223 0.123 0.000 2.137 43 L HA -0.147 4.195 4.340 0.003 0.000 0.213 43 L C 1.240 178.167 176.870 0.094 0.000 1.085 43 L CA 1.885 56.805 54.840 0.135 0.000 0.760 43 L CB -0.204 41.977 42.059 0.202 0.000 0.893 43 L HN 0.309 nan 8.230 nan 0.000 0.434 44 L N -1.589 119.678 121.223 0.072 0.000 2.558 44 L HA 0.033 4.375 4.340 0.003 0.000 0.225 44 L C 1.449 178.355 176.870 0.059 0.000 1.128 44 L CA 0.071 54.945 54.840 0.057 0.000 0.868 44 L CB -0.257 41.825 42.059 0.038 0.000 1.006 44 L HN 0.274 nan 8.230 nan 0.000 0.454 45 Q N -0.813 119.030 119.800 0.072 0.000 2.198 45 Q HA 0.253 4.595 4.340 0.003 0.000 0.209 45 Q C 0.336 176.387 176.000 0.085 0.000 0.848 45 Q CA 0.169 56.020 55.803 0.081 0.000 0.974 45 Q CB 0.628 29.425 28.738 0.099 0.000 1.115 45 Q HN 0.244 nan 8.270 nan 0.000 0.494 46 M N -0.137 119.507 119.600 0.075 0.000 2.513 46 M HA 0.381 4.863 4.480 0.003 0.000 0.250 46 M C -0.348 175.985 176.300 0.055 0.000 1.145 46 M CA -0.389 54.949 55.300 0.063 0.000 0.948 46 M CB 0.492 33.121 32.600 0.049 0.000 1.405 46 M HN -0.103 nan 8.290 nan 0.000 0.546 47 D N -0.159 120.269 120.400 0.046 0.000 2.879 47 D HA 0.280 4.922 4.640 0.003 0.000 0.236 47 D C 0.265 176.602 176.300 0.061 0.000 1.171 47 D CA -0.333 53.693 54.000 0.043 0.000 0.868 47 D CB 2.132 42.948 40.800 0.027 0.000 1.598 47 D HN 0.446 nan 8.370 nan 0.000 0.497 48 R N 2.369 122.897 120.500 0.047 0.000 2.249 48 R HA -0.138 4.204 4.340 0.003 0.000 0.230 48 R C 1.466 177.745 176.300 -0.035 0.000 1.121 48 R CA 1.045 57.165 56.100 0.034 0.000 0.997 48 R CB 0.251 30.539 30.300 -0.021 0.000 0.867 48 R HN 0.395 nan 8.270 nan 0.000 0.465 49 K N -1.028 119.364 120.400 -0.013 0.000 1.973 49 K HA -0.052 4.270 4.320 0.003 0.000 0.210 49 K C 0.871 177.505 176.600 0.058 0.000 1.045 49 K CA 1.490 57.762 56.287 -0.025 0.000 0.937 49 K CB 0.027 32.519 32.500 -0.013 0.000 0.721 49 K HN 0.282 nan 8.250 nan 0.000 0.438 50 G N -1.974 106.872 108.800 0.076 0.000 2.341 50 G HA2 0.092 4.054 3.960 0.003 0.000 0.299 50 G HA3 0.092 4.054 3.960 0.003 0.000 0.299 50 G C -0.295 174.554 174.900 -0.085 0.000 1.274 50 G CA -0.647 44.512 45.100 0.098 0.000 0.853 50 G HN 0.102 nan 8.290 nan 0.000 0.493 51 L N -0.252 120.851 121.223 -0.199 0.000 2.201 51 L HA 0.068 4.409 4.340 0.003 0.000 0.212 51 L C 2.649 178.980 176.870 -0.899 0.000 1.105 51 L CA 1.041 55.500 54.840 -0.635 0.000 0.775 51 L CB -0.052 41.550 42.059 -0.761 0.000 0.913 51 L HN 0.474 nan 8.230 nan 0.000 0.440 52 L N -0.639 120.378 121.223 -0.343 0.000 2.168 52 L HA -0.081 4.261 4.340 0.003 0.000 0.203 52 L C 2.603 179.436 176.870 -0.061 0.000 1.078 52 L CA 1.209 55.967 54.840 -0.137 0.000 0.780 52 L CB -0.364 41.800 42.059 0.174 0.000 0.939 52 L HN 0.016 nan 8.230 nan 0.000 0.451 53 R N -0.173 120.302 120.500 -0.041 0.000 2.091 53 R HA -0.106 4.236 4.340 0.003 0.000 0.238 53 R C 2.212 178.518 176.300 0.009 0.000 1.136 53 R CA 2.061 58.161 56.100 -0.001 0.000 0.959 53 R CB -0.966 29.334 30.300 0.000 0.000 0.856 53 R HN 0.465 nan 8.270 nan 0.000 0.437 54 S N 0.100 115.768 115.700 -0.054 0.000 2.353 54 S HA -0.093 4.379 4.470 0.003 0.000 0.222 54 S C 1.613 176.313 174.600 0.166 0.000 1.035 54 S CA 1.427 59.626 58.200 -0.001 0.000 1.025 54 S CB -0.409 62.731 63.200 -0.099 0.000 0.902 54 S HN 0.259 nan 8.310 nan 0.000 0.440 55 F N 1.467 121.436 119.950 0.033 0.000 2.171 55 F HA 0.036 4.564 4.527 0.003 0.000 0.300 55 F C 1.995 177.912 175.800 0.195 0.000 1.090 55 F CA 0.238 58.331 58.000 0.156 0.000 1.293 55 F CB -1.151 37.888 39.000 0.066 0.000 1.013 55 F HN 0.153 nan 8.300 nan 0.000 0.486 56 L N -0.949 120.448 121.223 0.290 0.000 2.179 56 L HA -0.058 4.284 4.340 0.003 0.000 0.208 56 L C 2.570 179.510 176.870 0.117 0.000 1.096 56 L CA 0.689 55.647 54.840 0.198 0.000 0.779 56 L CB -0.484 41.658 42.059 0.137 0.000 0.922 56 L HN -0.048 nan 8.230 nan 0.000 0.443 57 R N 0.178 120.735 120.500 0.095 0.000 2.152 57 R HA -0.112 4.230 4.340 0.003 0.000 0.232 57 R C 2.111 178.420 176.300 0.016 0.000 1.117 57 R CA 1.141 57.270 56.100 0.049 0.000 0.981 57 R CB -0.164 30.163 30.300 0.045 0.000 0.870 57 R HN 0.388 nan 8.270 nan 0.000 0.451 58 L N -0.546 120.686 121.223 0.014 0.000 2.209 58 L HA -0.011 4.331 4.340 0.003 0.000 0.207 58 L C 2.589 179.250 176.870 -0.349 0.000 1.094 58 L CA 0.312 55.074 54.840 -0.130 0.000 0.790 58 L CB -0.465 41.470 42.059 -0.207 0.000 0.932 58 L HN 0.046 nan 8.230 nan 0.000 0.447 59 R N 1.009 121.356 120.500 -0.256 0.000 2.153 59 R HA -0.210 4.131 4.340 0.003 0.000 0.252 59 R C 1.999 178.239 176.300 -0.100 0.000 1.158 59 R CA 1.690 57.715 56.100 -0.126 0.000 0.975 59 R CB -0.246 30.131 30.300 0.128 0.000 0.871 59 R HN 0.420 nan 8.270 nan 0.000 0.450 60 E N 0.420 120.573 120.200 -0.078 0.000 2.065 60 E HA -0.243 4.109 4.350 0.003 0.000 0.201 60 E C 1.986 178.502 176.600 -0.139 0.000 1.016 60 E CA 1.522 57.876 56.400 -0.076 0.000 0.818 60 E CB -0.208 29.455 29.700 -0.062 0.000 0.749 60 E HN 0.295 nan 8.360 nan 0.000 0.453 61 K N -0.430 119.824 120.400 -0.243 0.000 2.021 61 K HA -0.078 4.244 4.320 0.003 0.000 0.205 61 K C 1.876 178.192 176.600 -0.473 0.000 1.047 61 K CA 1.038 57.051 56.287 -0.457 0.000 0.943 61 K CB -0.060 31.970 32.500 -0.783 0.000 0.725 61 K HN 0.076 nan 8.250 nan 0.000 0.439 62 Y N -0.529 119.637 120.300 -0.224 0.000 2.462 62 Y HA 0.294 4.846 4.550 0.003 0.000 0.261 62 Y C 0.965 176.819 175.900 -0.076 0.000 1.146 62 Y CA 0.168 58.168 58.100 -0.168 0.000 1.283 62 Y CB 1.047 39.366 38.460 -0.236 0.000 1.090 62 Y HN 0.314 nan 8.280 nan 0.000 0.526 63 G N 0.236 109.052 108.800 0.026 0.000 2.416 63 G HA2 -0.242 3.720 3.960 0.003 0.000 0.203 63 G HA3 -0.242 3.720 3.960 0.003 0.000 0.203 63 G C -0.119 174.877 174.900 0.161 0.000 1.227 63 G CA 0.014 45.166 45.100 0.085 0.000 1.041 63 G HN 0.105 nan 8.290 nan 0.000 0.546 64 D N -0.675 119.829 120.400 0.174 0.000 2.277 64 D HA 0.263 4.905 4.640 0.003 0.000 0.209 64 D C 1.156 177.592 176.300 0.228 0.000 0.970 64 D CA 1.140 55.259 54.000 0.198 0.000 0.874 64 D CB 0.556 41.433 40.800 0.130 0.000 0.982 64 D HN 0.372 nan 8.370 nan 0.000 0.504 65 V N 1.775 121.804 119.914 0.191 0.000 2.513 65 V HA 0.549 4.671 4.120 0.003 0.000 0.299 65 V C -0.419 175.766 176.094 0.152 0.000 1.035 65 V CA -0.716 61.642 62.300 0.095 0.000 0.889 65 V CB 1.313 33.169 31.823 0.054 0.000 0.988 65 V HN 0.121 nan 8.190 nan 0.000 0.440 66 F N 1.374 121.245 119.950 -0.132 0.000 2.900 66 F HA 0.730 5.259 4.527 0.003 0.000 0.321 66 F C -0.974 174.693 175.800 -0.222 0.000 1.160 66 F CA -0.712 57.193 58.000 -0.158 0.000 0.890 66 F CB 1.625 40.571 39.000 -0.090 0.000 1.334 66 F HN 0.270 nan 8.300 nan 0.000 0.459 67 T N 1.943 116.485 114.554 -0.019 0.000 2.861 67 T HA 0.713 5.065 4.350 0.003 0.000 0.287 67 T C -1.525 173.110 174.700 -0.109 0.000 1.003 67 T CA -0.667 61.321 62.100 -0.187 0.000 0.977 67 T CB 1.768 70.573 68.868 -0.106 0.000 0.996 67 T HN 0.906 nan 8.240 nan 0.000 0.448 68 V N 2.861 122.611 119.914 -0.274 0.000 3.159 68 V HA 0.674 4.796 4.120 0.003 0.000 0.308 68 V C -2.073 173.839 176.094 -0.303 0.000 1.190 68 V CA -0.840 61.384 62.300 -0.128 0.000 1.037 68 V CB 2.337 34.108 31.823 -0.087 0.000 1.060 68 V HN 0.903 nan 8.190 nan 0.000 0.437 69 Y N 4.555 124.820 120.300 -0.059 0.000 2.447 69 Y HA 0.608 5.160 4.550 0.003 0.000 0.325 69 Y C -0.122 175.766 175.900 -0.020 0.000 0.976 69 Y CA -0.472 57.606 58.100 -0.035 0.000 1.280 69 Y CB 1.479 39.930 38.460 -0.015 0.000 1.104 69 Y HN 0.406 nan 8.280 nan 0.000 0.486 70 L N 3.976 125.204 121.223 0.009 0.000 2.262 70 L HA 0.623 4.965 4.340 0.003 0.000 0.288 70 L C 1.052 177.950 176.870 0.047 0.000 1.035 70 L CA -0.299 54.532 54.840 -0.014 0.000 0.820 70 L CB 0.588 42.595 42.059 -0.086 0.000 1.204 70 L HN 0.890 nan 8.230 nan 0.000 0.424 71 G N 3.171 112.045 108.800 0.124 0.000 2.591 71 G HA2 -0.383 3.579 3.960 0.003 0.000 0.298 71 G HA3 -0.383 3.579 3.960 0.003 0.000 0.298 71 G C 0.758 175.774 174.900 0.193 0.000 1.195 71 G CA 0.526 45.760 45.100 0.223 0.000 0.989 71 G HN 0.732 nan 8.290 nan 0.000 0.551 72 S N -0.080 115.713 115.700 0.156 0.000 2.556 72 S HA 0.335 4.806 4.470 0.003 0.000 0.216 72 S C 0.970 175.693 174.600 0.205 0.000 0.970 72 S CA 0.923 59.225 58.200 0.169 0.000 0.912 72 S CB 0.407 63.670 63.200 0.105 0.000 0.790 72 S HN 0.759 nan 8.310 nan 0.000 0.504 73 R N 3.213 123.788 120.500 0.125 0.000 2.265 73 R HA 0.369 4.711 4.340 0.003 0.000 0.314 73 R C -2.961 173.239 176.300 -0.167 0.000 1.053 73 R CA -1.974 54.138 56.100 0.020 0.000 0.931 73 R CB 0.724 31.028 30.300 0.007 0.000 1.024 73 R HN 0.112 nan 8.270 nan 0.000 0.457 74 P HA 0.101 nan 4.420 nan 0.000 0.285 74 P C -1.147 175.924 177.300 -0.381 0.000 1.259 74 P CA -0.376 62.306 63.100 -0.697 0.000 0.794 74 P CB 1.508 32.882 31.700 -0.544 0.000 0.940 75 V N 1.313 120.971 119.914 -0.428 0.000 2.531 75 V HA 0.413 4.535 4.120 0.003 0.000 0.301 75 V C -0.107 175.766 176.094 -0.369 0.000 1.034 75 V CA -1.078 61.048 62.300 -0.290 0.000 0.865 75 V CB 1.612 33.279 31.823 -0.259 0.000 0.995 75 V HN 0.185 nan 8.190 nan 0.000 0.424 76 V N 5.165 124.925 119.914 -0.256 0.000 2.555 76 V HA 0.343 4.465 4.120 0.003 0.000 0.286 76 V C 0.254 176.116 176.094 -0.387 0.000 1.044 76 V CA 0.074 62.198 62.300 -0.292 0.000 1.026 76 V CB 1.477 33.208 31.823 -0.155 0.000 0.981 76 V HN 0.779 nan 8.190 nan 0.000 0.480 77 V N 6.626 126.148 119.914 -0.654 0.000 2.448 77 V HA 0.463 4.584 4.120 0.003 0.000 0.295 77 V C -0.193 175.590 176.094 -0.519 0.000 1.025 77 V CA -0.583 61.256 62.300 -0.768 0.000 0.859 77 V CB 1.761 32.693 31.823 -1.486 0.000 0.988 77 V HN 0.568 nan 8.190 nan 0.000 0.431 78 L N 4.001 125.060 121.223 -0.272 0.000 2.307 78 L HA 0.641 4.983 4.340 0.003 0.000 0.284 78 L C -0.736 176.116 176.870 -0.029 0.000 1.023 78 L CA -0.196 54.563 54.840 -0.136 0.000 0.810 78 L CB 1.741 43.683 42.059 -0.195 0.000 1.231 78 L HN 0.633 nan 8.230 nan 0.000 0.423 79 C N 1.771 121.100 119.300 0.050 0.000 2.626 79 C HA 0.868 5.329 4.460 0.003 0.000 0.310 79 C C 0.501 175.556 174.990 0.109 0.000 1.191 79 C CA -0.532 58.552 59.018 0.109 0.000 1.517 79 C CB 1.216 29.064 27.740 0.180 0.000 2.102 79 C HN 1.077 nan 8.230 nan 0.000 0.479 80 G N 2.683 111.553 108.800 0.116 0.000 2.716 80 G HA2 -0.103 3.859 3.960 0.003 0.000 0.686 80 G HA3 -0.103 3.859 3.960 0.003 0.000 0.686 80 G C 0.356 175.301 174.900 0.075 0.000 1.337 80 G CA -0.100 45.072 45.100 0.121 0.000 0.829 80 G HN 0.857 nan 8.290 nan 0.000 0.599 81 T N 0.669 115.255 114.554 0.054 0.000 2.624 81 T HA -0.188 4.164 4.350 0.003 0.000 0.268 81 T C 1.931 176.621 174.700 -0.017 0.000 1.041 81 T CA 2.288 64.348 62.100 -0.068 0.000 1.159 81 T CB -0.336 68.324 68.868 -0.347 0.000 0.863 81 T HN 0.666 nan 8.240 nan 0.000 0.434 82 D N 1.246 121.688 120.400 0.070 0.000 2.097 82 D HA -0.014 4.627 4.640 0.003 0.000 0.197 82 D C 2.528 178.867 176.300 0.066 0.000 0.984 82 D CA 1.261 55.308 54.000 0.079 0.000 0.826 82 D CB -0.551 40.319 40.800 0.118 0.000 0.973 82 D HN 0.410 nan 8.370 nan 0.000 0.460 83 A N 1.288 124.157 122.820 0.082 0.000 1.869 83 A HA -0.231 4.090 4.320 0.003 0.000 0.218 83 A C 2.342 179.953 177.584 0.045 0.000 1.203 83 A CA 1.599 53.710 52.037 0.124 0.000 0.638 83 A CB -0.968 18.104 19.000 0.119 0.000 0.831 83 A HN 0.141 nan 8.150 nan 0.000 0.450 84 I N -0.902 119.641 120.570 -0.044 0.000 2.163 84 I HA -0.233 3.938 4.170 0.003 0.000 0.243 84 I C 2.628 178.648 176.117 -0.162 0.000 1.085 84 I CA 1.934 63.141 61.300 -0.155 0.000 1.347 84 I CB -0.343 37.587 38.000 -0.117 0.000 1.044 84 I HN 0.330 nan 8.210 nan 0.000 0.408 85 R N 0.409 120.861 120.500 -0.080 0.000 2.092 85 R HA -0.160 4.182 4.340 0.003 0.000 0.231 85 R C 2.210 178.486 176.300 -0.040 0.000 1.119 85 R CA 1.326 57.388 56.100 -0.064 0.000 0.970 85 R CB -0.076 30.201 30.300 -0.037 0.000 0.864 85 R HN 0.394 nan 8.270 nan 0.000 0.440 86 E N -0.172 120.039 120.200 0.018 0.000 2.038 86 E HA -0.229 4.123 4.350 0.003 0.000 0.195 86 E C 1.883 178.524 176.600 0.069 0.000 1.000 86 E CA 1.531 57.997 56.400 0.109 0.000 0.803 86 E CB -0.120 29.714 29.700 0.223 0.000 0.750 86 E HN 0.439 nan 8.360 nan 0.000 0.448 87 A N 1.060 123.773 122.820 -0.178 0.000 1.825 87 A HA -0.154 4.168 4.320 0.003 0.000 0.214 87 A C 2.195 179.435 177.584 -0.575 0.000 1.206 87 A CA 1.181 52.719 52.037 -0.832 0.000 0.609 87 A CB -0.859 17.062 19.000 -1.798 0.000 0.851 87 A HN 0.153 nan 8.150 nan 0.000 0.445 88 L N -0.428 120.507 121.223 -0.480 0.000 2.201 88 L HA -0.120 4.222 4.340 0.003 0.000 0.212 88 L C 2.134 178.955 176.870 -0.081 0.000 1.105 88 L CA 0.968 55.647 54.840 -0.268 0.000 0.775 88 L CB -0.391 41.509 42.059 -0.265 0.000 0.913 88 L HN 0.301 nan 8.230 nan 0.000 0.440 89 V N -1.913 117.965 119.914 -0.059 0.000 3.048 89 V HA -0.011 4.111 4.120 0.003 0.000 0.241 89 V C 1.614 177.730 176.094 0.037 0.000 1.129 89 V CA 0.732 63.033 62.300 0.003 0.000 1.128 89 V CB -0.032 31.791 31.823 0.001 0.000 0.849 89 V HN 0.243 nan 8.190 nan 0.000 0.475 90 D N 0.427 120.855 120.400 0.046 0.000 2.249 90 D HA -0.005 4.637 4.640 0.003 0.000 0.205 90 D C 1.082 177.452 176.300 0.117 0.000 0.962 90 D CA 0.799 54.847 54.000 0.080 0.000 0.860 90 D CB 0.175 41.034 40.800 0.098 0.000 0.955 90 D HN 0.473 nan 8.370 nan 0.000 0.505 91 Q N -0.022 119.867 119.800 0.149 0.000 2.928 91 Q HA 0.486 4.828 4.340 0.003 0.000 0.353 91 Q C 0.496 176.635 176.000 0.231 0.000 0.870 91 Q CA -0.349 55.586 55.803 0.220 0.000 0.963 91 Q CB 1.690 30.637 28.738 0.349 0.000 1.419 91 Q HN -0.019 nan 8.270 nan 0.000 0.396 92 A N 0.973 123.878 122.820 0.142 0.000 1.849 92 A HA -0.276 4.045 4.320 0.003 0.000 0.217 92 A C 1.918 179.584 177.584 0.136 0.000 1.202 92 A CA 2.111 54.222 52.037 0.123 0.000 0.629 92 A CB -0.128 18.931 19.000 0.098 0.000 0.834 92 A HN 0.521 nan 8.150 nan 0.000 0.447 93 E N -0.464 119.803 120.200 0.111 0.000 2.047 93 E HA -0.001 4.350 4.350 0.003 0.000 0.191 93 E C 2.097 178.726 176.600 0.048 0.000 0.987 93 E CA 1.339 57.791 56.400 0.088 0.000 0.799 93 E CB -0.414 29.331 29.700 0.075 0.000 0.752 93 E HN 0.492 nan 8.360 nan 0.000 0.449 94 A N -0.357 122.484 122.820 0.034 0.000 1.958 94 A HA -0.194 4.128 4.320 0.003 0.000 0.221 94 A C 1.623 179.067 177.584 -0.234 0.000 1.178 94 A CA 1.545 53.521 52.037 -0.101 0.000 0.642 94 A CB -0.646 18.291 19.000 -0.104 0.000 0.816 94 A HN 0.396 nan 8.150 nan 0.000 0.453 95 F N -0.359 119.561 119.950 -0.051 0.000 2.639 95 F HA 0.119 4.647 4.527 0.003 0.000 0.302 95 F C 2.079 177.881 175.800 0.004 0.000 1.097 95 F CA 0.480 58.438 58.000 -0.070 0.000 1.294 95 F CB 0.371 39.278 39.000 -0.155 0.000 1.027 95 F HN 0.258 nan 8.300 nan 0.000 0.550 96 S N -1.052 114.694 115.700 0.077 0.000 2.561 96 S HA 0.113 4.585 4.470 0.003 0.000 0.225 96 S C 1.285 175.706 174.600 -0.297 0.000 0.977 96 S CA 0.178 58.338 58.200 -0.067 0.000 0.926 96 S CB -0.570 62.595 63.200 -0.058 0.000 0.769 96 S HN 0.170 nan 8.310 nan 0.000 0.533 97 G N 1.249 109.935 108.800 -0.190 0.000 2.432 97 G HA2 0.495 4.457 3.960 0.003 0.000 0.257 97 G HA3 0.495 4.457 3.960 0.003 0.000 0.257 97 G C -0.476 174.236 174.900 -0.314 0.000 1.238 97 G CA -0.865 44.076 45.100 -0.265 0.000 0.838 97 G HN 0.434 nan 8.290 nan 0.000 0.547 98 R N 0.988 121.269 120.500 -0.365 0.000 2.404 98 R HA 0.567 4.909 4.340 0.003 0.000 0.291 98 R C 0.855 177.065 176.300 -0.150 0.000 1.025 98 R CA 0.312 56.217 56.100 -0.326 0.000 0.991 98 R CB 0.823 30.924 30.300 -0.333 0.000 1.053 98 R HN 0.593 nan 8.270 nan 0.000 0.479 99 G N 2.415 111.147 108.800 -0.114 0.000 2.543 99 G HA2 0.377 4.338 3.960 0.003 0.000 0.267 99 G HA3 0.377 4.338 3.960 0.003 0.000 0.267 99 G C -1.051 173.864 174.900 0.025 0.000 1.406 99 G CA -0.583 44.490 45.100 -0.044 0.000 1.048 99 G HN 0.654 nan 8.290 nan 0.000 0.548 100 K N -1.330 119.082 120.400 0.021 0.000 2.477 100 K HA 0.511 4.833 4.320 0.003 0.000 0.255 100 K C -1.401 175.213 176.600 0.023 0.000 0.952 100 K CA -0.963 55.325 56.287 0.002 0.000 0.826 100 K CB 2.256 34.710 32.500 -0.077 0.000 1.331 100 K HN 0.160 nan 8.250 nan 0.000 0.437 101 I N 2.840 123.405 120.570 -0.008 0.000 2.281 101 I HA 0.084 4.256 4.170 0.003 0.000 0.293 101 I C 1.540 177.689 176.117 0.055 0.000 1.085 101 I CA -0.221 61.119 61.300 0.067 0.000 1.257 101 I CB -0.081 37.986 38.000 0.112 0.000 1.430 101 I HN 1.007 nan 8.210 nan 0.000 0.489 102 A N 6.674 129.566 122.820 0.120 0.000 1.971 102 A HA -0.192 4.129 4.320 0.003 0.000 0.222 102 A C 2.089 179.785 177.584 0.188 0.000 1.182 102 A CA 2.441 54.591 52.037 0.189 0.000 0.649 102 A CB -0.640 18.529 19.000 0.281 0.000 0.818 102 A HN 0.626 nan 8.150 nan 0.000 0.458 103 V N -1.002 118.964 119.914 0.085 0.000 2.594 103 V HA -0.152 3.970 4.120 0.003 0.000 0.253 103 V C 2.018 178.123 176.094 0.018 0.000 1.069 103 V CA 1.755 63.988 62.300 -0.110 0.000 1.082 103 V CB -1.436 30.306 31.823 -0.136 0.000 0.680 103 V HN 0.779 nan 8.190 nan 0.000 0.469 104 V N -3.507 116.457 119.914 0.084 0.000 3.477 104 V HA 0.349 4.471 4.120 0.003 0.000 0.297 104 V C 1.537 177.716 176.094 0.143 0.000 1.433 104 V CA 0.738 63.139 62.300 0.167 0.000 1.052 104 V CB 0.152 32.167 31.823 0.320 0.000 0.895 104 V HN 0.364 nan 8.190 nan 0.000 0.438 105 D N 1.742 122.167 120.400 0.041 0.000 2.224 105 D HA 0.026 4.668 4.640 0.003 0.000 0.205 105 D C -0.468 175.891 176.300 0.097 0.000 0.965 105 D CA 0.977 54.981 54.000 0.007 0.000 0.852 105 D CB -0.618 40.154 40.800 -0.047 0.000 0.947 105 D HN 0.364 nan 8.370 nan 0.000 0.494 106 P HA -0.159 nan 4.420 nan 0.000 0.218 106 P C 1.181 178.605 177.300 0.207 0.000 1.146 106 P CA 0.884 64.088 63.100 0.174 0.000 0.820 106 P CB 0.113 31.938 31.700 0.208 0.000 0.778 107 I N -3.134 117.508 120.570 0.120 0.000 2.494 107 I HA -0.052 4.120 4.170 0.003 0.000 0.250 107 I C 2.043 178.032 176.117 -0.213 0.000 1.112 107 I CA 1.340 62.568 61.300 -0.120 0.000 1.438 107 I CB -0.931 36.871 38.000 -0.331 0.000 1.111 107 I HN -0.099 nan 8.210 nan 0.000 0.431 108 F N 0.583 120.565 119.950 0.053 0.000 2.317 108 F HA 0.090 4.619 4.527 0.003 0.000 0.290 108 F C 1.273 177.180 175.800 0.178 0.000 1.075 108 F CA 0.071 58.138 58.000 0.111 0.000 1.380 108 F CB -0.392 38.627 39.000 0.031 0.000 1.093 108 F HN 0.008 nan 8.300 nan 0.000 0.524 109 Q N 0.361 120.312 119.800 0.252 0.000 2.434 109 Q HA -0.223 4.119 4.340 0.003 0.000 0.299 109 Q C 1.068 177.176 176.000 0.180 0.000 1.286 109 Q CA 0.544 56.471 55.803 0.208 0.000 0.872 109 Q CB -1.542 27.348 28.738 0.254 0.000 1.193 109 Q HN 0.720 nan 8.270 nan 0.000 0.466 110 G N -2.417 106.468 108.800 0.142 0.000 2.159 110 G HA2 -0.341 3.621 3.960 0.003 0.000 0.256 110 G HA3 -0.341 3.621 3.960 0.003 0.000 0.256 110 G C -0.325 174.561 174.900 -0.024 0.000 0.977 110 G CA 0.293 45.411 45.100 0.029 0.000 0.652 110 G HN 0.434 nan 8.290 nan 0.000 0.531 111 Y N 0.120 120.573 120.300 0.255 0.000 2.534 111 Y HA 0.553 5.105 4.550 0.003 0.000 0.329 111 Y C 1.119 177.229 175.900 0.350 0.000 1.154 111 Y CA 0.199 58.449 58.100 0.250 0.000 1.192 111 Y CB 1.782 40.357 38.460 0.192 0.000 1.275 111 Y HN 1.159 nan 8.280 nan 0.000 0.491 112 G N 0.020 109.092 108.800 0.453 0.000 2.787 112 G HA2 -0.213 3.749 3.960 0.003 0.000 0.685 112 G HA3 -0.213 3.749 3.960 0.003 0.000 0.685 112 G C 0.410 175.468 174.900 0.262 0.000 1.437 112 G CA -0.348 44.965 45.100 0.354 0.000 0.872 112 G HN 0.891 nan 8.290 nan 0.000 0.566 113 V N 1.444 121.474 119.914 0.193 0.000 2.332 113 V HA -0.152 3.970 4.120 0.003 0.000 0.248 113 V C 2.763 178.918 176.094 0.102 0.000 1.055 113 V CA 2.934 65.334 62.300 0.167 0.000 1.038 113 V CB -0.776 31.130 31.823 0.140 0.000 0.651 113 V HN 0.636 nan 8.190 nan 0.000 0.450 114 I N -0.771 119.721 120.570 -0.131 0.000 2.127 114 I HA -0.229 3.943 4.170 0.003 0.000 0.241 114 I C 1.869 177.660 176.117 -0.543 0.000 1.075 114 I CA 2.007 63.008 61.300 -0.498 0.000 1.334 114 I CB -0.306 37.070 38.000 -1.040 0.000 1.040 114 I HN 0.310 nan 8.210 nan 0.000 0.405 115 F N 0.628 120.511 119.950 -0.112 0.000 2.695 115 F HA 0.383 4.912 4.527 0.003 0.000 0.303 115 F C 1.400 177.180 175.800 -0.034 0.000 1.091 115 F CA -0.486 57.448 58.000 -0.110 0.000 1.300 115 F CB -0.758 38.167 39.000 -0.124 0.000 1.071 115 F HN -0.146 nan 8.300 nan 0.000 0.578 116 A N 0.736 123.668 122.820 0.186 0.000 2.475 116 A HA 0.284 4.606 4.320 0.003 0.000 0.239 116 A C 0.368 178.017 177.584 0.107 0.000 1.087 116 A CA 0.225 52.363 52.037 0.168 0.000 0.779 116 A CB 0.076 19.233 19.000 0.261 0.000 1.036 116 A HN 0.362 nan 8.150 nan 0.000 0.506 117 N N -1.407 117.355 118.700 0.104 0.000 2.494 117 N HA 0.521 5.263 4.740 0.003 0.000 0.270 117 N C 0.434 176.025 175.510 0.134 0.000 1.285 117 N CA 0.462 53.544 53.050 0.054 0.000 0.812 117 N CB 2.040 40.510 38.487 -0.027 0.000 1.557 117 N HN 1.375 nan 8.380 nan 0.000 0.487 118 G N 1.585 110.475 108.800 0.150 0.000 2.596 118 G HA2 -0.385 3.577 3.960 0.003 0.000 0.295 118 G HA3 -0.385 3.577 3.960 0.003 0.000 0.295 118 G C 0.903 175.932 174.900 0.214 0.000 1.240 118 G CA 1.159 46.358 45.100 0.166 0.000 0.985 118 G HN 0.626 nan 8.290 nan 0.000 0.555 119 E N 0.318 120.592 120.200 0.123 0.000 2.110 119 E HA -0.075 4.276 4.350 0.003 0.000 0.193 119 E C 2.546 179.191 176.600 0.075 0.000 0.988 119 E CA 2.067 58.521 56.400 0.091 0.000 0.804 119 E CB -0.381 29.356 29.700 0.062 0.000 0.745 119 E HN 0.552 nan 8.360 nan 0.000 0.458 120 R N -0.994 119.554 120.500 0.080 0.000 2.073 120 R HA -0.171 4.171 4.340 0.003 0.000 0.234 120 R C 2.252 178.592 176.300 0.067 0.000 1.134 120 R CA 1.754 57.882 56.100 0.047 0.000 0.952 120 R CB -0.764 29.559 30.300 0.039 0.000 0.850 120 R HN 0.363 nan 8.270 nan 0.000 0.433 121 W N 1.519 122.808 121.300 -0.019 0.000 2.332 121 W HA -0.202 4.459 4.660 0.003 0.000 0.321 121 W C 2.216 178.740 176.519 0.008 0.000 1.219 121 W CA 1.860 59.198 57.345 -0.011 0.000 1.277 121 W CB -0.451 28.996 29.460 -0.022 0.000 1.161 121 W HN -0.007 nan 8.180 nan 0.000 0.476 122 R N 0.183 120.529 120.500 -0.257 0.000 2.119 122 R HA -0.232 4.110 4.340 0.003 0.000 0.246 122 R C 2.441 178.547 176.300 -0.323 0.000 1.146 122 R CA 2.533 58.351 56.100 -0.469 0.000 0.962 122 R CB -0.984 29.234 30.300 -0.137 0.000 0.863 122 R HN 0.324 nan 8.270 nan 0.000 0.442 123 A N -0.002 122.730 122.820 -0.147 0.000 1.872 123 A HA -0.075 4.246 4.320 0.003 0.000 0.214 123 A C 2.103 179.665 177.584 -0.035 0.000 1.187 123 A CA 1.058 53.078 52.037 -0.028 0.000 0.614 123 A CB -0.386 18.625 19.000 0.018 0.000 0.826 123 A HN 0.247 nan 8.150 nan 0.000 0.442 124 L N -1.347 119.783 121.223 -0.155 0.000 2.179 124 L HA -0.065 4.277 4.340 0.003 0.000 0.208 124 L C 2.755 179.629 176.870 0.006 0.000 1.096 124 L CA 1.214 56.004 54.840 -0.083 0.000 0.779 124 L CB -0.397 41.625 42.059 -0.063 0.000 0.922 124 L HN 0.449 nan 8.230 nan 0.000 0.443 125 R N 0.138 120.493 120.500 -0.242 0.000 2.061 125 R HA -0.166 4.176 4.340 0.003 0.000 0.230 125 R C 2.589 178.825 176.300 -0.106 0.000 1.140 125 R CA 1.175 57.124 56.100 -0.250 0.000 0.940 125 R CB -0.201 29.710 30.300 -0.647 0.000 0.839 125 R HN 0.094 nan 8.270 nan 0.000 0.429 126 R N 0.341 120.756 120.500 -0.143 0.000 2.143 126 R HA -0.253 4.089 4.340 0.003 0.000 0.239 126 R C 2.146 178.495 176.300 0.081 0.000 1.126 126 R CA 2.418 58.497 56.100 -0.035 0.000 0.927 126 R CB -1.132 29.148 30.300 -0.033 0.000 0.860 126 R HN 0.371 nan 8.270 nan 0.000 0.433 127 F N 1.106 121.081 119.950 0.041 0.000 2.154 127 F HA -0.236 4.292 4.527 0.003 0.000 0.301 127 F C 2.558 178.414 175.800 0.094 0.000 1.087 127 F CA 2.104 60.157 58.000 0.088 0.000 1.274 127 F CB -0.270 38.890 39.000 0.265 0.000 1.009 127 F HN 0.044 nan 8.300 nan 0.000 0.485 128 S N 0.595 116.418 115.700 0.206 0.000 2.371 128 S HA -0.084 4.388 4.470 0.003 0.000 0.224 128 S C 1.997 176.638 174.600 0.069 0.000 1.029 128 S CA 1.131 59.458 58.200 0.211 0.000 0.978 128 S CB -0.377 62.990 63.200 0.278 0.000 0.833 128 S HN 0.356 nan 8.310 nan 0.000 0.466 129 L N 1.259 122.491 121.223 0.016 0.000 1.956 129 L HA -0.212 4.130 4.340 0.003 0.000 0.216 129 L C 2.815 179.660 176.870 -0.041 0.000 1.073 129 L CA 1.540 56.371 54.840 -0.015 0.000 0.762 129 L CB -0.833 41.209 42.059 -0.029 0.000 0.889 129 L HN 0.323 nan 8.230 nan 0.000 0.433 130 A N -0.772 122.005 122.820 -0.072 0.000 1.986 130 A HA -0.227 4.095 4.320 0.003 0.000 0.220 130 A C 2.285 179.827 177.584 -0.071 0.000 1.171 130 A CA 2.551 54.542 52.037 -0.076 0.000 0.640 130 A CB -0.871 18.085 19.000 -0.073 0.000 0.811 130 A HN 0.507 nan 8.150 nan 0.000 0.451 131 T N -1.020 113.425 114.554 -0.182 0.000 3.035 131 T HA 0.096 4.448 4.350 0.003 0.000 0.259 131 T C 1.848 176.596 174.700 0.079 0.000 1.078 131 T CA 1.269 63.277 62.100 -0.152 0.000 1.132 131 T CB -0.128 68.269 68.868 -0.786 0.000 0.900 131 T HN 0.422 nan 8.240 nan 0.000 0.480 132 M N 0.690 120.341 119.600 0.087 0.000 2.193 132 M HA 0.064 4.546 4.480 0.003 0.000 0.265 132 M C 2.398 178.717 176.300 0.031 0.000 1.071 132 M CA 1.239 56.596 55.300 0.095 0.000 1.140 132 M CB -0.183 32.464 32.600 0.078 0.000 1.369 132 M HN 0.050 nan 8.290 nan 0.000 0.423 133 R N 0.046 120.540 120.500 -0.010 0.000 2.113 133 R HA -0.237 4.105 4.340 0.003 0.000 0.244 133 R C 1.577 177.824 176.300 -0.089 0.000 1.142 133 R CA 2.119 58.189 56.100 -0.050 0.000 0.953 133 R CB -0.549 29.709 30.300 -0.069 0.000 0.860 133 R HN 0.441 nan 8.270 nan 0.000 0.438 134 D N -1.160 119.158 120.400 -0.136 0.000 2.615 134 D HA 0.056 4.698 4.640 0.003 0.000 0.259 134 D C -0.363 175.743 176.300 -0.323 0.000 0.999 134 D CA 0.081 53.876 54.000 -0.341 0.000 0.938 134 D CB 0.355 40.752 40.800 -0.672 0.000 1.121 134 D HN -0.034 nan 8.370 nan 0.000 0.487 135 F N 0.042 119.962 119.950 -0.049 0.000 2.408 135 F HA 0.701 5.230 4.527 0.003 0.000 0.344 135 F C 0.967 176.765 175.800 -0.003 0.000 1.112 135 F CA -0.290 57.691 58.000 -0.032 0.000 1.096 135 F CB 2.141 41.113 39.000 -0.047 0.000 1.129 135 F HN 0.036 nan 8.300 nan 0.000 0.486 136 G N 1.991 110.895 108.800 0.173 0.000 2.349 136 G HA2 0.252 4.213 3.960 0.003 0.000 0.294 136 G HA3 0.252 4.213 3.960 0.003 0.000 0.294 136 G C -1.678 173.269 174.900 0.079 0.000 1.380 136 G CA -1.265 43.906 45.100 0.118 0.000 0.811 136 G HN 0.633 nan 8.290 nan 0.000 0.519 137 M N 1.648 121.287 119.600 0.064 0.000 2.390 137 M HA 0.365 4.847 4.480 0.003 0.000 0.353 137 M C 1.420 177.735 176.300 0.024 0.000 1.623 137 M CA 2.187 57.511 55.300 0.040 0.000 1.065 137 M CB -0.461 32.157 32.600 0.030 0.000 2.025 137 M HN 2.274 nan 8.290 nan 0.000 0.461 138 G N 4.343 113.154 108.800 0.018 0.000 2.162 138 G HA2 -0.335 3.627 3.960 0.003 0.000 0.260 138 G HA3 -0.335 3.627 3.960 0.003 0.000 0.260 138 G C 0.305 175.210 174.900 0.008 0.000 0.976 138 G CA 0.624 45.730 45.100 0.009 0.000 0.655 138 G HN 0.986 nan 8.290 nan 0.000 0.533 139 K N -0.616 119.793 120.400 0.015 0.000 3.311 139 K HA -0.244 4.077 4.320 0.003 0.000 0.270 139 K C 0.494 177.087 176.600 -0.012 0.000 0.927 139 K CA 1.409 57.698 56.287 0.002 0.000 0.706 139 K CB -0.732 31.767 32.500 -0.002 0.000 1.418 139 K HN 0.777 nan 8.250 nan 0.000 0.459 140 R N 0.437 120.935 120.500 -0.004 0.000 2.720 140 R HA 0.297 4.638 4.340 0.003 0.000 0.272 140 R C 0.113 176.406 176.300 -0.012 0.000 0.991 140 R CA -0.322 55.774 56.100 -0.007 0.000 1.010 140 R CB 1.500 31.802 30.300 0.003 0.000 1.141 140 R HN 0.345 nan 8.270 nan 0.000 0.494 141 S N 0.037 115.726 115.700 -0.018 0.000 2.592 141 S HA 0.049 4.520 4.470 0.003 0.000 0.271 141 S C 1.575 176.169 174.600 -0.010 0.000 1.326 141 S CA -0.963 57.223 58.200 -0.023 0.000 1.024 141 S CB 1.169 64.351 63.200 -0.029 0.000 0.921 141 S HN 0.384 nan 8.310 nan 0.000 0.527 142 V N 1.335 121.242 119.914 -0.010 0.000 2.278 142 V HA -0.283 3.839 4.120 0.003 0.000 0.251 142 V C 2.610 178.700 176.094 -0.006 0.000 1.062 142 V CA 2.444 64.744 62.300 -0.000 0.000 1.038 142 V CB -1.441 30.380 31.823 -0.005 0.000 0.646 142 V HN 1.053 nan 8.190 nan 0.000 0.447 143 E N 0.451 120.640 120.200 -0.017 0.000 2.013 143 E HA -0.314 4.038 4.350 0.003 0.000 0.202 143 E C 2.268 178.862 176.600 -0.010 0.000 1.018 143 E CA 2.044 58.433 56.400 -0.019 0.000 0.834 143 E CB -0.288 29.402 29.700 -0.017 0.000 0.770 143 E HN 0.707 nan 8.360 nan 0.000 0.459 144 E N -0.178 120.021 120.200 -0.003 0.000 2.169 144 E HA -0.288 4.064 4.350 0.003 0.000 0.202 144 E C 2.324 178.934 176.600 0.016 0.000 1.016 144 E CA 1.374 57.778 56.400 0.007 0.000 0.817 144 E CB -0.131 29.571 29.700 0.004 0.000 0.736 144 E HN 0.215 nan 8.360 nan 0.000 0.462 145 R N 0.019 120.530 120.500 0.019 0.000 2.073 145 R HA -0.040 4.301 4.340 0.003 0.000 0.229 145 R C 2.420 178.755 176.300 0.059 0.000 1.120 145 R CA 0.890 57.014 56.100 0.040 0.000 0.967 145 R CB -0.097 30.230 30.300 0.045 0.000 0.862 145 R HN 0.162 nan 8.270 nan 0.000 0.436 146 I N 0.797 121.381 120.570 0.024 0.000 2.286 146 I HA -0.304 3.868 4.170 0.003 0.000 0.248 146 I C 2.373 178.466 176.117 -0.039 0.000 1.115 146 I CA 1.302 62.584 61.300 -0.031 0.000 1.392 146 I CB -0.228 37.663 38.000 -0.181 0.000 1.065 146 I HN 0.261 nan 8.210 nan 0.000 0.418 147 Q N 0.320 120.109 119.800 -0.018 0.000 2.014 147 Q HA -0.313 4.028 4.340 0.003 0.000 0.207 147 Q C 2.201 178.246 176.000 0.074 0.000 0.993 147 Q CA 2.097 57.912 55.803 0.020 0.000 0.850 147 Q CB -0.191 28.561 28.738 0.023 0.000 0.916 147 Q HN 0.315 nan 8.270 nan 0.000 0.417 148 E N 0.721 120.965 120.200 0.073 0.000 2.085 148 E HA -0.237 4.115 4.350 0.003 0.000 0.194 148 E C 1.712 178.392 176.600 0.134 0.000 0.994 148 E CA 1.434 57.885 56.400 0.085 0.000 0.801 148 E CB -0.101 29.635 29.700 0.059 0.000 0.743 148 E HN 0.186 nan 8.360 nan 0.000 0.453 149 E N -0.194 120.120 120.200 0.190 0.000 2.085 149 E HA -0.130 4.222 4.350 0.003 0.000 0.194 149 E C 1.810 178.626 176.600 0.360 0.000 0.994 149 E CA 1.481 58.053 56.400 0.287 0.000 0.801 149 E CB -0.558 29.389 29.700 0.412 0.000 0.743 149 E HN 0.299 nan 8.360 nan 0.000 0.453 150 A N 0.602 123.666 122.820 0.408 0.000 1.902 150 A HA -0.178 4.143 4.320 0.003 0.000 0.217 150 A C 2.263 179.993 177.584 0.244 0.000 1.181 150 A CA 1.648 53.929 52.037 0.407 0.000 0.623 150 A CB -0.565 18.615 19.000 0.301 0.000 0.818 150 A HN 0.200 nan 8.150 nan 0.000 0.443 151 R N -0.662 119.946 120.500 0.181 0.000 2.159 151 R HA -0.171 4.171 4.340 0.003 0.000 0.237 151 R C 1.838 178.229 176.300 0.152 0.000 1.131 151 R CA 1.780 57.964 56.100 0.139 0.000 0.982 151 R CB -0.521 29.839 30.300 0.101 0.000 0.868 151 R HN 0.627 nan 8.270 nan 0.000 0.453 152 C N -0.258 119.152 119.300 0.183 0.000 2.485 152 C HA 0.031 4.493 4.460 0.003 0.000 0.277 152 C C 2.348 177.529 174.990 0.318 0.000 1.376 152 C CA -0.312 58.832 59.018 0.211 0.000 1.759 152 C CB -0.703 27.129 27.740 0.153 0.000 1.970 152 C HN 0.473 nan 8.230 nan 0.000 0.509 153 L N 1.018 122.399 121.223 0.264 0.000 2.046 153 L HA -0.055 4.286 4.340 0.003 0.000 0.208 153 L C 2.448 179.344 176.870 0.043 0.000 1.077 153 L CA 1.906 56.796 54.840 0.084 0.000 0.747 153 L CB -0.738 41.310 42.059 -0.018 0.000 0.896 153 L HN 0.173 nan 8.230 nan 0.000 0.432 154 V N -0.195 119.810 119.914 0.152 0.000 2.261 154 V HA -0.285 3.837 4.120 0.003 0.000 0.246 154 V C 2.651 178.883 176.094 0.230 0.000 1.047 154 V CA 2.091 64.552 62.300 0.269 0.000 1.015 154 V CB -0.609 31.370 31.823 0.260 0.000 0.642 154 V HN 0.552 nan 8.190 nan 0.000 0.446 155 E N -0.175 120.127 120.200 0.169 0.000 2.058 155 E HA -0.305 4.047 4.350 0.003 0.000 0.194 155 E C 2.233 178.903 176.600 0.117 0.000 0.997 155 E CA 1.786 58.270 56.400 0.140 0.000 0.801 155 E CB -0.046 29.725 29.700 0.119 0.000 0.746 155 E HN 0.590 nan 8.360 nan 0.000 0.450 156 E N 0.801 121.075 120.200 0.123 0.000 2.065 156 E HA -0.199 4.153 4.350 0.003 0.000 0.201 156 E C 2.219 178.791 176.600 -0.046 0.000 1.016 156 E CA 1.399 57.836 56.400 0.063 0.000 0.818 156 E CB -0.490 29.223 29.700 0.020 0.000 0.749 156 E HN 0.278 nan 8.360 nan 0.000 0.453 157 L N -0.065 121.074 121.223 -0.139 0.000 2.046 157 L HA -0.161 4.180 4.340 0.003 0.000 0.208 157 L C 2.696 179.492 176.870 -0.124 0.000 1.077 157 L CA 1.409 56.056 54.840 -0.322 0.000 0.747 157 L CB -0.359 41.201 42.059 -0.833 0.000 0.896 157 L HN 0.124 nan 8.230 nan 0.000 0.432 158 R N 0.188 120.759 120.500 0.118 0.000 2.103 158 R HA -0.224 4.118 4.340 0.003 0.000 0.242 158 R C 2.249 178.608 176.300 0.098 0.000 1.142 158 R CA 1.476 57.702 56.100 0.210 0.000 0.960 158 R CB -0.407 30.017 30.300 0.206 0.000 0.858 158 R HN 0.378 nan 8.270 nan 0.000 0.439 159 K N 0.522 120.957 120.400 0.057 0.000 2.152 159 K HA -0.118 4.204 4.320 0.003 0.000 0.206 159 K C 2.156 178.765 176.600 0.015 0.000 1.048 159 K CA 1.692 58.001 56.287 0.036 0.000 0.933 159 K CB -0.140 32.379 32.500 0.032 0.000 0.721 159 K HN 0.179 nan 8.250 nan 0.000 0.447 160 S N 0.691 116.384 115.700 -0.011 0.000 2.555 160 S HA -0.056 4.415 4.470 0.003 0.000 0.230 160 S C 0.484 175.089 174.600 0.007 0.000 0.978 160 S CA 0.570 58.758 58.200 -0.020 0.000 0.934 160 S CB -0.218 62.948 63.200 -0.057 0.000 0.766 160 S HN 0.233 nan 8.310 nan 0.000 0.533 161 K N -0.179 120.244 120.400 0.037 0.000 3.130 161 K HA -0.197 4.125 4.320 0.003 0.000 0.282 161 K C 0.878 177.510 176.600 0.054 0.000 1.145 161 K CA 0.414 56.733 56.287 0.054 0.000 0.831 161 K CB -2.100 30.422 32.500 0.036 0.000 1.226 161 K HN 0.982 nan 8.250 nan 0.000 0.478 162 G N -1.199 107.635 108.800 0.058 0.000 2.176 162 G HA2 -0.293 3.669 3.960 0.003 0.000 0.253 162 G HA3 -0.293 3.669 3.960 0.003 0.000 0.253 162 G C 0.293 175.198 174.900 0.007 0.000 0.979 162 G CA 0.437 45.567 45.100 0.049 0.000 0.641 162 G HN 0.899 nan 8.290 nan 0.000 0.530 163 A N 0.112 122.931 122.820 -0.002 0.000 2.555 163 A HA 0.530 4.851 4.320 0.003 0.000 0.233 163 A C 0.916 178.476 177.584 -0.040 0.000 1.060 163 A CA 0.341 52.365 52.037 -0.021 0.000 0.759 163 A CB 0.176 19.161 19.000 -0.024 0.000 0.995 163 A HN 1.025 nan 8.150 nan 0.000 0.506 164 L N 1.928 123.119 121.223 -0.054 0.000 2.410 164 L HA 0.285 4.626 4.340 0.003 0.000 0.273 164 L C 0.059 176.876 176.870 -0.089 0.000 1.144 164 L CA -0.233 54.561 54.840 -0.078 0.000 0.863 164 L CB -0.047 41.968 42.059 -0.072 0.000 1.140 164 L HN 0.719 nan 8.230 nan 0.000 0.463 165 L N 0.523 121.678 121.223 -0.114 0.000 2.293 165 L HA 0.714 5.056 4.340 0.003 0.000 0.264 165 L C -0.436 176.308 176.870 -0.210 0.000 1.029 165 L CA -0.789 53.963 54.840 -0.147 0.000 0.897 165 L CB 0.700 42.670 42.059 -0.147 0.000 1.497 165 L HN 0.352 nan 8.230 nan 0.000 0.495 166 D N -0.090 120.152 120.400 -0.263 0.000 2.278 166 D HA 0.178 4.820 4.640 0.003 0.000 0.245 166 D C -0.257 175.764 176.300 -0.465 0.000 1.052 166 D CA -0.398 53.380 54.000 -0.369 0.000 0.834 166 D CB 1.448 42.063 40.800 -0.309 0.000 1.194 166 D HN 0.759 nan 8.370 nan 0.000 0.481 167 N N 2.478 120.790 118.700 -0.647 0.000 2.412 167 N HA -0.099 4.643 4.740 0.003 0.000 0.184 167 N C 1.130 176.118 175.510 -0.870 0.000 1.101 167 N CA 0.073 52.609 53.050 -0.857 0.000 0.881 167 N CB -0.289 37.445 38.487 -1.255 0.000 0.969 167 N HN 0.277 nan 8.380 nan 0.000 0.459 168 T N 2.090 116.234 114.554 -0.683 0.000 2.565 168 T HA -0.208 4.144 4.350 0.003 0.000 0.265 168 T C 1.830 176.070 174.700 -0.766 0.000 1.082 168 T CA 1.737 63.417 62.100 -0.700 0.000 1.173 168 T CB -0.444 68.010 68.868 -0.690 0.000 0.864 168 T HN 0.185 nan 8.240 nan 0.000 0.425 169 L N 0.300 121.184 121.223 -0.565 0.000 1.989 169 L HA -0.020 4.322 4.340 0.003 0.000 0.211 169 L C 2.408 179.091 176.870 -0.312 0.000 1.071 169 L CA 1.540 56.135 54.840 -0.407 0.000 0.749 169 L CB -0.446 41.426 42.059 -0.311 0.000 0.890 169 L HN 0.263 nan 8.230 nan 0.000 0.431 170 L N -1.832 119.185 121.223 -0.344 0.000 2.131 170 L HA -0.231 4.111 4.340 0.003 0.000 0.210 170 L C 2.274 179.102 176.870 -0.071 0.000 1.092 170 L CA 0.830 55.490 54.840 -0.301 0.000 0.759 170 L CB -0.423 41.404 42.059 -0.385 0.000 0.903 170 L HN 0.237 nan 8.230 nan 0.000 0.435 171 F N -0.641 119.086 119.950 -0.372 0.000 2.206 171 F HA -0.134 4.395 4.527 0.003 0.000 0.298 171 F C 2.694 178.431 175.800 -0.105 0.000 1.090 171 F CA 0.823 58.654 58.000 -0.281 0.000 1.323 171 F CB -0.918 37.931 39.000 -0.251 0.000 1.028 171 F HN 0.142 nan 8.300 nan 0.000 0.492 172 H N -0.439 118.648 119.070 0.027 0.000 2.293 172 H HA -0.087 4.470 4.556 0.003 0.000 0.300 172 H C 2.421 177.777 175.328 0.047 0.000 1.082 172 H CA 1.393 57.438 56.048 -0.005 0.000 1.308 172 H CB -1.028 28.692 29.762 -0.069 0.000 1.375 172 H HN 0.061 nan 8.280 nan 0.000 0.495 173 S N 0.902 116.707 115.700 0.174 0.000 2.380 173 S HA -0.171 4.301 4.470 0.003 0.000 0.229 173 S C 2.330 177.172 174.600 0.403 0.000 1.043 173 S CA 1.771 60.183 58.200 0.354 0.000 1.038 173 S CB -0.491 62.889 63.200 0.300 0.000 0.872 173 S HN 0.631 nan 8.310 nan 0.000 0.456 174 I N 0.776 121.437 120.570 0.151 0.000 2.584 174 I HA -0.023 4.149 4.170 0.003 0.000 0.255 174 I C 2.375 178.531 176.117 0.066 0.000 1.145 174 I CA 1.305 62.635 61.300 0.050 0.000 1.462 174 I CB -1.159 36.615 38.000 -0.377 0.000 1.102 174 I HN 0.261 nan 8.210 nan 0.000 0.433 175 T N -1.764 112.829 114.554 0.065 0.000 2.812 175 T HA -0.039 4.312 4.350 0.003 0.000 0.264 175 T C 2.025 176.863 174.700 0.231 0.000 1.042 175 T CA 1.393 63.587 62.100 0.157 0.000 1.140 175 T CB -0.691 68.246 68.868 0.114 0.000 0.870 175 T HN 0.336 nan 8.240 nan 0.000 0.445 176 S N 2.007 117.872 115.700 0.276 0.000 2.351 176 S HA -0.142 4.330 4.470 0.003 0.000 0.220 176 S C 2.149 177.021 174.600 0.454 0.000 1.035 176 S CA 1.284 59.738 58.200 0.424 0.000 1.031 176 S CB -0.751 62.797 63.200 0.579 0.000 0.928 176 S HN 0.499 nan 8.310 nan 0.000 0.433 177 N N 1.215 120.154 118.700 0.398 0.000 2.417 177 N HA -0.060 4.682 4.740 0.003 0.000 0.187 177 N C 1.359 177.009 175.510 0.233 0.000 1.027 177 N CA 0.625 53.842 53.050 0.277 0.000 0.891 177 N CB -0.327 38.293 38.487 0.222 0.000 0.956 177 N HN 0.350 nan 8.380 nan 0.000 0.442 178 I N 0.141 120.864 120.570 0.256 0.000 2.206 178 I HA -0.128 4.043 4.170 0.003 0.000 0.239 178 I C 2.146 178.360 176.117 0.162 0.000 1.078 178 I CA 0.441 61.865 61.300 0.206 0.000 1.367 178 I CB -0.990 37.150 38.000 0.232 0.000 1.078 178 I HN 0.009 nan 8.210 nan 0.000 0.413 179 I N 1.394 122.078 120.570 0.190 0.000 2.163 179 I HA -0.314 3.858 4.170 0.003 0.000 0.243 179 I C 2.879 179.031 176.117 0.057 0.000 1.085 179 I CA 1.298 62.680 61.300 0.136 0.000 1.347 179 I CB -0.906 37.231 38.000 0.228 0.000 1.044 179 I HN 0.287 nan 8.210 nan 0.000 0.408 180 C N -0.131 119.283 119.300 0.190 0.000 2.385 180 C HA -0.219 4.243 4.460 0.003 0.000 0.275 180 C C 3.290 178.366 174.990 0.142 0.000 1.207 180 C CA 1.723 60.889 59.018 0.248 0.000 1.760 180 C CB -1.284 26.716 27.740 0.433 0.000 2.051 180 C HN 0.644 nan 8.230 nan 0.000 0.467 181 S N -0.043 115.719 115.700 0.103 0.000 2.423 181 S HA -0.036 4.435 4.470 0.003 0.000 0.231 181 S C 1.555 176.185 174.600 0.050 0.000 1.014 181 S CA 1.275 59.512 58.200 0.061 0.000 0.965 181 S CB -0.369 62.865 63.200 0.056 0.000 0.785 181 S HN 0.619 nan 8.310 nan 0.000 0.495 182 I N 0.597 121.184 120.570 0.029 0.000 2.206 182 I HA -0.046 4.126 4.170 0.003 0.000 0.239 182 I C 2.343 178.454 176.117 -0.011 0.000 1.078 182 I CA 0.905 62.221 61.300 0.027 0.000 1.367 182 I CB -0.657 37.352 38.000 0.015 0.000 1.078 182 I HN 0.190 nan 8.210 nan 0.000 0.413 183 V N 0.574 120.366 119.914 -0.203 0.000 2.255 183 V HA -0.196 3.926 4.120 0.003 0.000 0.243 183 V C 1.830 177.629 176.094 -0.491 0.000 1.038 183 V CA 1.790 63.826 62.300 -0.440 0.000 1.008 183 V CB -0.626 30.649 31.823 -0.913 0.000 0.645 183 V HN 0.234 nan 8.190 nan 0.000 0.449 184 F N 1.026 120.907 119.950 -0.115 0.000 2.692 184 F HA 0.453 4.983 4.527 0.004 0.000 0.303 184 F C 1.870 177.709 175.800 0.066 0.000 1.114 184 F CA 0.309 58.250 58.000 -0.099 0.000 1.361 184 F CB -0.893 38.071 39.000 -0.061 0.000 1.063 184 F HN 0.272 nan 8.300 nan 0.000 0.550 185 G N 1.009 109.910 108.800 0.168 0.000 2.244 185 G HA2 -0.325 3.637 3.960 0.003 0.000 0.274 185 G HA3 -0.325 3.637 3.960 0.003 0.000 0.274 185 G C 0.318 175.263 174.900 0.076 0.000 1.002 185 G CA 1.008 46.198 45.100 0.150 0.000 0.740 185 G HN 0.432 nan 8.290 nan 0.000 0.516 186 K N -0.784 119.635 120.400 0.033 0.000 2.578 186 K HA 0.576 4.898 4.320 0.003 0.000 0.287 186 K C -0.542 175.929 176.600 -0.215 0.000 1.010 186 K CA -0.706 55.518 56.287 -0.105 0.000 0.889 186 K CB 0.715 33.114 32.500 -0.168 0.000 1.514 186 K HN 0.695 nan 8.250 nan 0.000 0.424 187 R N 0.564 120.901 120.500 -0.272 0.000 2.664 187 R HA 0.636 4.978 4.340 0.003 0.000 0.286 187 R C -0.980 175.021 176.300 -0.498 0.000 0.967 187 R CA -0.693 55.236 56.100 -0.285 0.000 0.933 187 R CB 0.791 31.015 30.300 -0.128 0.000 1.146 187 R HN 0.271 nan 8.270 nan 0.000 0.468 188 F N 0.523 120.226 119.950 -0.412 0.000 2.397 188 F HA 0.209 4.737 4.527 0.001 0.000 0.331 188 F C 0.552 176.120 175.800 -0.386 0.000 1.090 188 F CA -0.582 57.128 58.000 -0.483 0.000 1.065 188 F CB 1.305 39.686 39.000 -1.032 0.000 1.184 188 F HN 0.618 nan 8.300 nan 0.000 0.499 189 D N 0.790 121.183 120.400 -0.012 0.000 2.382 189 D HA 0.013 4.655 4.640 0.003 0.000 0.245 189 D C 0.673 177.070 176.300 0.161 0.000 1.120 189 D CA 0.068 54.038 54.000 -0.051 0.000 0.890 189 D CB 0.536 41.331 40.800 -0.008 0.000 1.201 189 D HN 0.368 nan 8.370 nan 0.000 0.433 190 Y N 2.077 122.512 120.300 0.225 0.000 2.365 190 Y HA -0.127 4.424 4.550 0.003 0.000 0.287 190 Y C 1.968 177.970 175.900 0.169 0.000 1.162 190 Y CA 1.055 59.300 58.100 0.242 0.000 1.260 190 Y CB -0.239 38.292 38.460 0.120 0.000 0.976 190 Y HN 0.438 nan 8.280 nan 0.000 0.548 191 K N -0.687 119.871 120.400 0.262 0.000 2.360 191 K HA 0.019 4.341 4.320 0.003 0.000 0.196 191 K C 0.066 176.747 176.600 0.136 0.000 1.049 191 K CA -0.066 56.314 56.287 0.154 0.000 1.049 191 K CB 0.365 32.931 32.500 0.110 0.000 0.881 191 K HN -0.048 nan 8.250 nan 0.000 0.542 192 D N 1.897 122.414 120.400 0.196 0.000 2.502 192 D HA -0.051 4.590 4.640 0.003 0.000 0.249 192 D C -1.783 174.604 176.300 0.145 0.000 1.188 192 D CA -1.194 52.917 54.000 0.185 0.000 0.890 192 D CB 1.265 42.230 40.800 0.276 0.000 1.140 192 D HN 0.006 nan 8.370 nan 0.000 0.505 193 P HA -0.059 nan 4.420 nan 0.000 0.231 193 P C 1.607 178.895 177.300 -0.021 0.000 1.168 193 P CA 0.069 63.177 63.100 0.013 0.000 0.779 193 P CB 0.316 32.021 31.700 0.008 0.000 0.844 194 V N -0.339 119.579 119.914 0.008 0.000 2.332 194 V HA -0.237 3.884 4.120 0.003 0.000 0.248 194 V C 2.231 178.219 176.094 -0.177 0.000 1.055 194 V CA 1.938 64.201 62.300 -0.061 0.000 1.038 194 V CB -1.328 30.500 31.823 0.010 0.000 0.651 194 V HN 0.037 nan 8.190 nan 0.000 0.450 195 F N 0.119 119.871 119.950 -0.330 0.000 2.270 195 F HA 0.061 4.589 4.527 0.002 0.000 0.295 195 F C 1.939 177.576 175.800 -0.273 0.000 1.087 195 F CA 1.111 58.816 58.000 -0.491 0.000 1.365 195 F CB -0.366 38.369 39.000 -0.441 0.000 1.056 195 F HN 0.014 nan 8.300 nan 0.000 0.506 196 L N 0.121 121.141 121.223 -0.338 0.000 2.131 196 L HA -0.187 4.155 4.340 0.003 0.000 0.210 196 L C 2.567 179.269 176.870 -0.280 0.000 1.092 196 L CA 1.448 56.074 54.840 -0.356 0.000 0.759 196 L CB -0.558 41.397 42.059 -0.173 0.000 0.903 196 L HN 0.081 nan 8.230 nan 0.000 0.435 197 R N -0.089 120.270 120.500 -0.234 0.000 2.090 197 R HA -0.106 4.235 4.340 0.003 0.000 0.228 197 R C 2.036 178.175 176.300 -0.270 0.000 1.110 197 R CA 1.124 57.099 56.100 -0.207 0.000 0.973 197 R CB -0.210 29.989 30.300 -0.169 0.000 0.869 197 R HN 0.072 nan 8.270 nan 0.000 0.440 198 L N 0.523 121.534 121.223 -0.355 0.000 2.083 198 L HA -0.085 4.257 4.340 0.003 0.000 0.209 198 L C 2.105 178.803 176.870 -0.286 0.000 1.083 198 L CA 1.536 56.135 54.840 -0.402 0.000 0.752 198 L CB -0.947 40.853 42.059 -0.432 0.000 0.899 198 L HN 0.248 nan 8.230 nan 0.000 0.433 199 L N -0.907 120.148 121.223 -0.281 0.000 2.083 199 L HA -0.215 4.127 4.340 0.003 0.000 0.209 199 L C 2.361 179.216 176.870 -0.025 0.000 1.083 199 L CA 1.242 55.986 54.840 -0.160 0.000 0.752 199 L CB -0.539 41.324 42.059 -0.327 0.000 0.899 199 L HN 0.288 nan 8.230 nan 0.000 0.433 200 D N 0.496 120.851 120.400 -0.075 0.000 2.077 200 D HA -0.162 4.480 4.640 0.003 0.000 0.196 200 D C 2.379 178.695 176.300 0.027 0.000 0.986 200 D CA 1.268 55.284 54.000 0.026 0.000 0.829 200 D CB -0.082 40.704 40.800 -0.023 0.000 0.983 200 D HN 0.166 nan 8.370 nan 0.000 0.453 201 L N -0.288 120.870 121.223 -0.109 0.000 2.010 201 L HA -0.263 4.078 4.340 0.003 0.000 0.219 201 L C 2.676 179.453 176.870 -0.156 0.000 1.077 201 L CA 1.303 56.028 54.840 -0.191 0.000 0.773 201 L CB -0.578 41.268 42.059 -0.355 0.000 0.892 201 L HN 0.064 nan 8.230 nan 0.000 0.436 202 F N -0.690 119.131 119.950 -0.215 0.000 2.075 202 F HA -0.273 4.256 4.527 0.003 0.000 0.297 202 F C 2.401 178.218 175.800 0.028 0.000 1.113 202 F CA 1.540 59.379 58.000 -0.268 0.000 1.218 202 F CB -0.947 37.818 39.000 -0.392 0.000 0.984 202 F HN -0.016 nan 8.300 nan 0.000 0.472 203 F N 0.959 120.996 119.950 0.145 0.000 2.069 203 F HA -0.239 4.290 4.527 0.003 0.000 0.298 203 F C 2.521 178.439 175.800 0.197 0.000 1.113 203 F CA 1.913 60.022 58.000 0.181 0.000 1.214 203 F CB -0.992 38.121 39.000 0.189 0.000 0.978 203 F HN -0.004 nan 8.300 nan 0.000 0.474 204 Q N -0.178 119.606 119.800 -0.025 0.000 2.112 204 Q HA -0.204 4.138 4.340 0.003 0.000 0.206 204 Q C 2.363 178.313 176.000 -0.084 0.000 0.987 204 Q CA 2.139 57.852 55.803 -0.148 0.000 0.858 204 Q CB -0.288 28.426 28.738 -0.041 0.000 0.905 204 Q HN 0.441 nan 8.270 nan 0.000 0.420 205 S N 0.266 115.996 115.700 0.050 0.000 2.357 205 S HA -0.096 4.376 4.470 0.003 0.000 0.221 205 S C 1.413 176.160 174.600 0.245 0.000 1.031 205 S CA 0.680 58.963 58.200 0.139 0.000 0.982 205 S CB -0.339 62.974 63.200 0.189 0.000 0.853 205 S HN 0.404 nan 8.310 nan 0.000 0.458 206 F N 2.852 122.933 119.950 0.219 0.000 2.333 206 F HA -0.062 4.467 4.527 0.003 0.000 0.300 206 F C 2.389 178.193 175.800 0.006 0.000 1.083 206 F CA 1.109 59.215 58.000 0.176 0.000 1.395 206 F CB -0.543 38.598 39.000 0.236 0.000 1.056 206 F HN 0.264 nan 8.300 nan 0.000 0.529 207 S N 0.108 115.670 115.700 -0.231 0.000 2.371 207 S HA -0.075 4.397 4.470 0.003 0.000 0.221 207 S C 2.112 176.576 174.600 -0.228 0.000 1.036 207 S CA 0.930 58.912 58.200 -0.364 0.000 0.965 207 S CB -0.827 62.107 63.200 -0.443 0.000 0.845 207 S HN 0.410 nan 8.310 nan 0.000 0.475 208 L N 1.185 122.325 121.223 -0.138 0.000 2.042 208 L HA -0.067 4.274 4.340 0.003 0.000 0.210 208 L C 2.634 179.471 176.870 -0.056 0.000 1.076 208 L CA 1.413 56.210 54.840 -0.073 0.000 0.749 208 L CB -0.709 41.326 42.059 -0.040 0.000 0.893 208 L HN 0.349 nan 8.230 nan 0.000 0.432 209 I N -0.158 120.393 120.570 -0.031 0.000 2.194 209 I HA -0.289 3.883 4.170 0.003 0.000 0.246 209 I C 2.016 178.095 176.117 -0.064 0.000 1.093 209 I CA 1.930 63.228 61.300 -0.004 0.000 1.355 209 I CB -0.243 37.810 38.000 0.089 0.000 1.046 209 I HN 0.394 nan 8.210 nan 0.000 0.413 210 S N -0.593 115.005 115.700 -0.170 0.000 2.601 210 S HA 0.159 4.631 4.470 0.003 0.000 0.244 210 S C 0.689 175.230 174.600 -0.098 0.000 1.001 210 S CA -0.384 57.720 58.200 -0.161 0.000 0.984 210 S CB -0.266 62.746 63.200 -0.313 0.000 0.842 210 S HN 0.390 nan 8.310 nan 0.000 0.474 211 S N 0.791 116.453 115.700 -0.064 0.000 2.617 211 S HA 0.318 4.790 4.470 0.003 0.000 0.255 211 S C 0.799 175.447 174.600 0.079 0.000 1.318 211 S CA -0.497 57.708 58.200 0.010 0.000 0.978 211 S CB -0.159 63.048 63.200 0.011 0.000 0.961 211 S HN 0.303 nan 8.310 nan 0.000 0.582 212 F N 1.625 121.568 119.950 -0.011 0.000 2.084 212 F HA -0.010 4.519 4.527 0.003 0.000 0.296 212 F C 2.618 178.434 175.800 0.026 0.000 1.111 212 F CA 2.149 60.152 58.000 0.005 0.000 1.224 212 F CB -1.213 37.790 39.000 0.005 0.000 0.991 212 F HN 0.644 nan 8.300 nan 0.000 0.471 213 S N -0.061 115.576 115.700 -0.104 0.000 2.380 213 S HA -0.252 4.219 4.470 0.003 0.000 0.229 213 S C 2.082 176.623 174.600 -0.097 0.000 1.043 213 S CA 1.684 59.805 58.200 -0.132 0.000 1.038 213 S CB -0.853 62.367 63.200 0.033 0.000 0.872 213 S HN 0.447 nan 8.310 nan 0.000 0.456 214 S N 1.200 116.867 115.700 -0.055 0.000 2.474 214 S HA -0.068 4.404 4.470 0.003 0.000 0.235 214 S C 1.831 176.436 174.600 0.008 0.000 0.997 214 S CA 0.694 58.888 58.200 -0.011 0.000 0.949 214 S CB -0.177 63.007 63.200 -0.027 0.000 0.766 214 S HN 0.527 nan 8.310 nan 0.000 0.517 215 Q N 0.217 119.954 119.800 -0.104 0.000 2.204 215 Q HA 0.028 4.369 4.340 0.003 0.000 0.198 215 Q C 2.205 178.052 176.000 -0.256 0.000 0.946 215 Q CA 0.762 56.477 55.803 -0.146 0.000 0.859 215 Q CB -0.124 28.508 28.738 -0.177 0.000 0.946 215 Q HN 0.389 nan 8.270 nan 0.000 0.474 216 V N 0.645 120.337 119.914 -0.370 0.000 2.231 216 V HA -0.293 3.829 4.120 0.003 0.000 0.248 216 V C 1.899 177.817 176.094 -0.292 0.000 1.054 216 V CA 2.001 64.080 62.300 -0.368 0.000 1.015 216 V CB -0.759 30.901 31.823 -0.272 0.000 0.638 216 V HN 0.316 nan 8.190 nan 0.000 0.444 217 F N 1.027 120.840 119.950 -0.229 0.000 2.115 217 F HA -0.262 4.267 4.527 0.003 0.000 0.300 217 F C 2.418 178.122 175.800 -0.160 0.000 1.092 217 F CA 2.152 60.057 58.000 -0.158 0.000 1.245 217 F CB -0.129 38.801 39.000 -0.118 0.000 0.995 217 F HN 0.136 nan 8.300 nan 0.000 0.481 218 E N -0.176 120.065 120.200 0.068 0.000 2.396 218 E HA -0.169 4.183 4.350 0.003 0.000 0.200 218 E C 1.608 178.119 176.600 -0.148 0.000 1.023 218 E CA 0.787 57.195 56.400 0.012 0.000 0.857 218 E CB -0.219 29.502 29.700 0.035 0.000 0.775 218 E HN 0.341 nan 8.360 nan 0.000 0.525 219 L N -1.661 119.332 121.223 -0.383 0.000 2.433 219 L HA 0.168 4.510 4.340 0.003 0.000 0.200 219 L C 0.413 176.998 176.870 -0.475 0.000 1.059 219 L CA 0.759 55.243 54.840 -0.594 0.000 0.835 219 L CB 0.142 41.519 42.059 -1.137 0.000 1.076 219 L HN 0.013 nan 8.230 nan 0.000 0.481 220 F N -1.068 118.798 119.950 -0.139 0.000 2.879 220 F HA 0.295 4.823 4.527 0.003 0.000 0.354 220 F C 1.848 177.461 175.800 -0.311 0.000 1.291 220 F CA -0.473 57.446 58.000 -0.136 0.000 1.238 220 F CB -1.321 37.647 39.000 -0.054 0.000 1.005 220 F HN -0.070 nan 8.300 nan 0.000 0.508 221 S N -0.038 115.430 115.700 -0.386 0.000 2.372 221 S HA -0.240 4.231 4.470 0.003 0.000 0.227 221 S C 2.487 176.806 174.600 -0.468 0.000 1.044 221 S CA 1.585 59.326 58.200 -0.765 0.000 1.050 221 S CB -1.165 61.821 63.200 -0.356 0.000 0.901 221 S HN 0.501 nan 8.310 nan 0.000 0.447 222 G N 1.145 109.831 108.800 -0.190 0.000 2.529 222 G HA2 -0.254 3.708 3.960 0.003 0.000 0.219 222 G HA3 -0.254 3.708 3.960 0.003 0.000 0.219 222 G C 1.219 176.031 174.900 -0.147 0.000 1.177 222 G CA 1.143 46.166 45.100 -0.127 0.000 0.773 222 G HN 0.526 nan 8.290 nan 0.000 0.573 223 F N 0.784 120.665 119.950 -0.115 0.000 2.098 223 F HA 0.148 4.677 4.527 0.003 0.000 0.294 223 F C 2.410 178.217 175.800 0.011 0.000 1.107 223 F CA 1.129 59.155 58.000 0.042 0.000 1.234 223 F CB -0.220 38.834 39.000 0.091 0.000 1.002 223 F HN 0.040 nan 8.300 nan 0.000 0.472 224 L N 0.985 122.176 121.223 -0.052 0.000 2.291 224 L HA -0.143 4.199 4.340 0.003 0.000 0.214 224 L C 2.310 179.020 176.870 -0.267 0.000 1.120 224 L CA 1.198 55.992 54.840 -0.076 0.000 0.799 224 L CB -0.684 41.283 42.059 -0.154 0.000 0.925 224 L HN 0.180 nan 8.230 nan 0.000 0.446 225 K N -0.955 119.117 120.400 -0.546 0.000 2.574 225 K HA -0.157 4.165 4.320 0.003 0.000 0.193 225 K C 1.347 177.772 176.600 -0.291 0.000 1.035 225 K CA 1.048 57.133 56.287 -0.336 0.000 0.982 225 K CB -0.315 32.055 32.500 -0.216 0.000 0.795 225 K HN 0.295 nan 8.250 nan 0.000 0.491 226 Y N 1.209 121.310 120.300 -0.332 0.000 2.134 226 Y HA 0.036 4.587 4.550 0.003 0.000 0.283 226 Y C 0.989 176.630 175.900 -0.432 0.000 1.108 226 Y CA -0.326 57.442 58.100 -0.554 0.000 1.096 226 Y CB -0.475 37.381 38.460 -1.006 0.000 1.005 226 Y HN -0.146 nan 8.280 nan 0.000 0.487 227 F N 1.632 121.648 119.950 0.111 0.000 2.490 227 F HA 0.222 4.751 4.527 0.003 0.000 0.336 227 F C -1.906 174.000 175.800 0.177 0.000 1.178 227 F CA -2.671 55.386 58.000 0.095 0.000 1.301 227 F CB -0.879 38.139 39.000 0.029 0.000 1.175 227 F HN -0.152 nan 8.300 nan 0.000 0.593 228 P HA 0.413 nan 4.420 nan 0.000 0.271 228 P C 0.032 177.498 177.300 0.276 0.000 1.233 228 P CA 0.057 63.288 63.100 0.219 0.000 0.789 228 P CB 0.681 32.463 31.700 0.138 0.000 0.951 229 G N -1.164 107.765 108.800 0.215 0.000 2.333 229 G HA2 0.141 4.103 3.960 0.003 0.000 0.288 229 G HA3 0.141 4.103 3.960 0.003 0.000 0.288 229 G C 0.241 175.246 174.900 0.174 0.000 1.286 229 G CA 0.044 45.305 45.100 0.268 0.000 0.865 229 G HN 0.346 nan 8.290 nan 0.000 0.506 230 T N -0.811 113.854 114.554 0.185 0.000 3.035 230 T HA 0.026 4.378 4.350 0.003 0.000 0.259 230 T C 2.034 176.730 174.700 -0.006 0.000 1.078 230 T CA 2.087 64.222 62.100 0.059 0.000 1.132 230 T CB -0.419 68.476 68.868 0.046 0.000 0.900 230 T HN 0.705 nan 8.240 nan 0.000 0.480 231 H N 0.225 119.166 119.070 -0.214 0.000 2.489 231 H HA 0.108 4.666 4.556 0.003 0.000 0.295 231 H C 2.378 177.644 175.328 -0.105 0.000 1.082 231 H CA 0.774 56.636 56.048 -0.310 0.000 1.295 231 H CB 0.028 29.329 29.762 -0.768 0.000 1.380 231 H HN 0.090 nan 8.280 nan 0.000 0.548 232 R N 0.460 120.573 120.500 -0.646 0.000 2.064 232 R HA -0.117 4.225 4.340 0.003 0.000 0.228 232 R C 2.383 178.610 176.300 -0.123 0.000 1.144 232 R CA 1.297 57.145 56.100 -0.419 0.000 0.932 232 R CB -0.682 29.430 30.300 -0.312 0.000 0.833 232 R HN 0.352 nan 8.270 nan 0.000 0.429 233 Q N 0.997 120.739 119.800 -0.098 0.000 2.142 233 Q HA -0.181 4.161 4.340 0.003 0.000 0.213 233 Q C 1.999 177.977 176.000 -0.037 0.000 1.004 233 Q CA 1.854 57.627 55.803 -0.051 0.000 0.883 233 Q CB -0.455 28.259 28.738 -0.041 0.000 0.939 233 Q HN 0.405 nan 8.270 nan 0.000 0.413 234 I N -1.328 119.227 120.570 -0.026 0.000 2.286 234 I HA -0.245 3.927 4.170 0.003 0.000 0.245 234 I C 1.966 178.085 176.117 0.004 0.000 1.104 234 I CA 1.121 62.423 61.300 0.004 0.000 1.397 234 I CB -0.388 37.629 38.000 0.028 0.000 1.072 234 I HN 0.253 nan 8.210 nan 0.000 0.417 235 Y N 1.847 122.090 120.300 -0.095 0.000 2.097 235 Y HA -0.311 4.240 4.550 0.003 0.000 0.282 235 Y C 2.827 178.669 175.900 -0.096 0.000 1.152 235 Y CA 1.841 59.887 58.100 -0.091 0.000 1.136 235 Y CB -0.293 38.102 38.460 -0.109 0.000 0.975 235 Y HN -0.069 nan 8.280 nan 0.000 0.498 236 R N 0.123 120.633 120.500 0.016 0.000 2.091 236 R HA -0.196 4.145 4.340 0.003 0.000 0.238 236 R C 1.911 178.114 176.300 -0.163 0.000 1.136 236 R CA 1.915 57.980 56.100 -0.058 0.000 0.959 236 R CB -0.286 30.012 30.300 -0.004 0.000 0.856 236 R HN 0.362 nan 8.270 nan 0.000 0.437 237 N N 0.285 118.897 118.700 -0.147 0.000 2.142 237 N HA -0.112 4.630 4.740 0.003 0.000 0.186 237 N C 1.682 177.035 175.510 -0.261 0.000 1.023 237 N CA 1.101 54.042 53.050 -0.181 0.000 0.852 237 N CB -0.131 38.269 38.487 -0.144 0.000 0.998 237 N HN 0.219 nan 8.380 nan 0.000 0.424 238 L N 0.435 121.500 121.223 -0.263 0.000 2.056 238 L HA -0.109 4.233 4.340 0.003 0.000 0.207 238 L C 2.155 178.822 176.870 -0.337 0.000 1.078 238 L CA 0.875 55.535 54.840 -0.300 0.000 0.749 238 L CB -0.346 41.579 42.059 -0.223 0.000 0.901 238 L HN 0.124 nan 8.230 nan 0.000 0.433 239 Q N 0.030 119.577 119.800 -0.420 0.000 2.181 239 Q HA -0.261 4.081 4.340 0.003 0.000 0.205 239 Q C 1.936 177.802 176.000 -0.223 0.000 0.980 239 Q CA 1.391 56.973 55.803 -0.368 0.000 0.862 239 Q CB -0.197 28.270 28.738 -0.450 0.000 0.905 239 Q HN 0.525 nan 8.270 nan 0.000 0.429 240 E N -0.378 119.696 120.200 -0.210 0.000 2.347 240 E HA -0.051 4.301 4.350 0.003 0.000 0.196 240 E C 1.684 178.198 176.600 -0.144 0.000 1.008 240 E CA 0.145 56.452 56.400 -0.154 0.000 0.852 240 E CB 0.139 29.744 29.700 -0.158 0.000 0.783 240 E HN 0.324 nan 8.360 nan 0.000 0.505 241 I N 0.644 121.090 120.570 -0.207 0.000 2.494 241 I HA -0.163 4.009 4.170 0.003 0.000 0.250 241 I C 1.793 177.908 176.117 -0.003 0.000 1.112 241 I CA 0.221 61.417 61.300 -0.174 0.000 1.438 241 I CB -0.131 37.608 38.000 -0.434 0.000 1.111 241 I HN 0.057 nan 8.210 nan 0.000 0.431 242 N N 0.830 119.485 118.700 -0.076 0.000 2.094 242 N HA -0.175 4.567 4.740 0.003 0.000 0.191 242 N C 1.775 177.278 175.510 -0.011 0.000 1.023 242 N CA 1.968 54.989 53.050 -0.047 0.000 0.857 242 N CB -0.830 37.585 38.487 -0.120 0.000 1.013 242 N HN 0.273 nan 8.380 nan 0.000 0.426 243 T N 0.601 115.145 114.554 -0.017 0.000 2.635 243 T HA -0.189 4.162 4.350 0.003 0.000 0.267 243 T C 1.688 176.423 174.700 0.057 0.000 1.040 243 T CA 1.300 63.408 62.100 0.013 0.000 1.156 243 T CB -0.598 68.273 68.868 0.005 0.000 0.863 243 T HN 0.334 nan 8.240 nan 0.000 0.430 244 F N 1.340 121.262 119.950 -0.046 0.000 2.186 244 F HA 0.047 4.575 4.527 0.001 0.000 0.299 244 F C 1.955 177.759 175.800 0.006 0.000 1.090 244 F CA 0.824 58.804 58.000 -0.033 0.000 1.307 244 F CB -0.298 38.663 39.000 -0.063 0.000 1.019 244 F HN 0.085 nan 8.300 nan 0.000 0.489 245 I N 0.364 120.940 120.570 0.011 0.000 2.142 245 I HA -0.215 3.957 4.170 0.003 0.000 0.240 245 I C 2.846 178.911 176.117 -0.087 0.000 1.078 245 I CA 1.306 62.610 61.300 0.007 0.000 1.343 245 I CB -1.616 36.484 38.000 0.167 0.000 1.046 245 I HN 0.297 nan 8.210 nan 0.000 0.405 246 G N 1.541 110.313 108.800 -0.048 0.000 2.553 246 G HA2 -0.341 3.621 3.960 0.003 0.000 0.218 246 G HA3 -0.341 3.621 3.960 0.003 0.000 0.218 246 G C 1.460 176.338 174.900 -0.037 0.000 1.195 246 G CA 1.177 46.270 45.100 -0.011 0.000 0.779 246 G HN 0.649 nan 8.290 nan 0.000 0.577 247 Q N -0.271 119.476 119.800 -0.087 0.000 2.515 247 Q HA 0.169 4.511 4.340 0.003 0.000 0.212 247 Q C 2.020 177.941 176.000 -0.131 0.000 0.970 247 Q CA 1.363 57.118 55.803 -0.080 0.000 0.941 247 Q CB 0.033 28.745 28.738 -0.044 0.000 0.998 247 Q HN 0.438 nan 8.270 nan 0.000 0.518 248 S N -0.512 115.057 115.700 -0.218 0.000 2.506 248 S HA 0.035 4.507 4.470 0.003 0.000 0.230 248 S C 1.764 176.365 174.600 0.002 0.000 1.066 248 S CA 0.356 58.456 58.200 -0.166 0.000 0.940 248 S CB 0.001 62.950 63.200 -0.417 0.000 0.818 248 S HN 0.292 nan 8.310 nan 0.000 0.518 249 V N 2.957 122.849 119.914 -0.036 0.000 2.278 249 V HA -0.190 3.932 4.120 0.003 0.000 0.251 249 V C 2.744 178.893 176.094 0.091 0.000 1.062 249 V CA 2.191 64.499 62.300 0.014 0.000 1.038 249 V CB -0.716 31.108 31.823 0.002 0.000 0.646 249 V HN 0.450 nan 8.190 nan 0.000 0.447 250 E N 0.216 120.456 120.200 0.066 0.000 2.051 250 E HA -0.212 4.140 4.350 0.003 0.000 0.192 250 E C 2.271 178.913 176.600 0.071 0.000 0.991 250 E CA 1.380 57.818 56.400 0.064 0.000 0.799 250 E CB -0.336 29.386 29.700 0.037 0.000 0.748 250 E HN 0.605 nan 8.360 nan 0.000 0.449 251 K N -0.386 120.058 120.400 0.074 0.000 2.103 251 K HA -0.175 4.146 4.320 0.003 0.000 0.207 251 K C 2.197 178.842 176.600 0.075 0.000 1.048 251 K CA 1.322 57.648 56.287 0.065 0.000 0.930 251 K CB -0.249 32.291 32.500 0.067 0.000 0.716 251 K HN 0.172 nan 8.250 nan 0.000 0.444 252 H N 0.112 119.191 119.070 0.014 0.000 2.270 252 H HA -0.042 4.516 4.556 0.003 0.000 0.299 252 H C 2.124 177.466 175.328 0.023 0.000 1.077 252 H CA 1.696 57.758 56.048 0.025 0.000 1.294 252 H CB 0.022 29.807 29.762 0.039 0.000 1.371 252 H HN 0.050 nan 8.280 nan 0.000 0.491 253 R N 0.506 121.093 120.500 0.146 0.000 2.096 253 R HA -0.204 4.138 4.340 0.003 0.000 0.240 253 R C 2.297 178.623 176.300 0.044 0.000 1.139 253 R CA 1.342 57.494 56.100 0.086 0.000 0.952 253 R CB -0.419 29.931 30.300 0.084 0.000 0.854 253 R HN 0.362 nan 8.270 nan 0.000 0.436 254 A N 0.177 123.017 122.820 0.034 0.000 1.859 254 A HA -0.214 4.108 4.320 0.003 0.000 0.218 254 A C 2.053 179.635 177.584 -0.003 0.000 1.209 254 A CA 2.490 54.534 52.037 0.013 0.000 0.639 254 A CB -1.188 17.818 19.000 0.010 0.000 0.835 254 A HN 0.624 nan 8.150 nan 0.000 0.450 255 T N -2.214 112.328 114.554 -0.021 0.000 3.278 255 T HA 0.414 4.766 4.350 0.003 0.000 0.251 255 T C 0.408 175.077 174.700 -0.052 0.000 1.039 255 T CA -0.036 62.038 62.100 -0.042 0.000 0.935 255 T CB -0.840 67.990 68.868 -0.064 0.000 1.034 255 T HN 0.297 nan 8.240 nan 0.000 0.575 256 L N 1.699 122.906 121.223 -0.027 0.000 2.472 256 L HA 0.509 4.850 4.340 0.003 0.000 0.273 256 L C -0.321 176.538 176.870 -0.018 0.000 1.254 256 L CA 0.482 55.311 54.840 -0.017 0.000 0.823 256 L CB 0.462 42.529 42.059 0.014 0.000 1.096 256 L HN 0.397 nan 8.230 nan 0.000 0.521 257 D N 1.450 121.842 120.400 -0.013 0.000 2.861 257 D HA 0.330 4.971 4.640 0.003 0.000 0.216 257 D C -2.441 173.854 176.300 -0.008 0.000 1.323 257 D CA -1.260 52.733 54.000 -0.011 0.000 0.917 257 D CB 1.893 42.685 40.800 -0.014 0.000 1.582 257 D HN 0.284 nan 8.370 nan 0.000 0.576 258 P HA -0.029 nan 4.420 nan 0.000 0.217 258 P C 1.170 178.466 177.300 -0.007 0.000 1.154 258 P CA 0.554 63.646 63.100 -0.013 0.000 0.841 258 P CB 0.272 31.963 31.700 -0.014 0.000 0.788 259 S N -0.317 115.382 115.700 -0.001 0.000 2.419 259 S HA -0.121 4.351 4.470 0.003 0.000 0.235 259 S C 1.254 175.866 174.600 0.019 0.000 1.019 259 S CA 0.946 59.150 58.200 0.007 0.000 0.982 259 S CB -0.644 62.559 63.200 0.004 0.000 0.789 259 S HN 0.283 nan 8.310 nan 0.000 0.490 260 N N 0.919 119.630 118.700 0.019 0.000 2.697 260 N HA 0.152 4.894 4.740 0.003 0.000 0.253 260 N C -3.371 172.163 175.510 0.039 0.000 1.604 260 N CA -1.070 52.000 53.050 0.033 0.000 0.772 260 N CB 0.886 39.385 38.487 0.019 0.000 1.267 260 N HN 0.044 nan 8.380 nan 0.000 0.510 261 P HA 0.088 nan 4.420 nan 0.000 0.262 261 P C 0.613 177.962 177.300 0.081 0.000 1.199 261 P CA 0.061 63.181 63.100 0.033 0.000 0.763 261 P CB 1.304 32.975 31.700 -0.048 0.000 0.790 262 R N 2.033 122.574 120.500 0.068 0.000 2.055 262 R HA -0.044 4.298 4.340 0.003 0.000 0.228 262 R C 0.577 176.955 176.300 0.130 0.000 1.143 262 R CA 1.868 58.017 56.100 0.083 0.000 0.945 262 R CB -0.071 30.254 30.300 0.041 0.000 0.841 262 R HN 0.679 nan 8.270 nan 0.000 0.429 263 D N -3.655 116.836 120.400 0.152 0.000 2.946 263 D HA -0.025 4.617 4.640 0.003 0.000 0.337 263 D C 0.210 176.594 176.300 0.139 0.000 1.332 263 D CA -0.768 53.330 54.000 0.164 0.000 0.935 263 D CB -0.398 40.513 40.800 0.184 0.000 1.440 263 D HN -0.137 nan 8.370 nan 0.000 0.540 264 F N 0.098 120.051 119.950 0.005 0.000 2.141 264 F HA -0.169 4.360 4.527 0.002 0.000 0.300 264 F C 1.734 177.573 175.800 0.064 0.000 1.079 264 F CA 1.815 59.817 58.000 0.003 0.000 1.264 264 F CB -0.133 38.828 39.000 -0.067 0.000 1.011 264 F HN 0.350 nan 8.300 nan 0.000 0.487 265 I N -0.722 119.961 120.570 0.188 0.000 2.333 265 I HA -0.227 3.945 4.170 0.003 0.000 0.246 265 I C 2.005 178.197 176.117 0.124 0.000 1.106 265 I CA 1.162 62.516 61.300 0.090 0.000 1.411 265 I CB -0.469 37.404 38.000 -0.212 0.000 1.082 265 I HN -0.025 nan 8.210 nan 0.000 0.420 266 D N 0.492 120.993 120.400 0.168 0.000 2.123 266 D HA -0.155 4.486 4.640 0.003 0.000 0.196 266 D C 2.262 178.571 176.300 0.015 0.000 0.992 266 D CA 1.152 55.231 54.000 0.132 0.000 0.833 266 D CB -0.103 40.772 40.800 0.124 0.000 0.954 266 D HN 0.071 nan 8.370 nan 0.000 0.455 267 V N 0.089 119.957 119.914 -0.076 0.000 2.515 267 V HA -0.227 3.895 4.120 0.003 0.000 0.250 267 V C 2.013 178.101 176.094 -0.010 0.000 1.058 267 V CA 1.149 63.321 62.300 -0.214 0.000 1.064 267 V CB -0.488 31.024 31.823 -0.517 0.000 0.675 267 V HN 0.226 nan 8.190 nan 0.000 0.461 268 Y N 0.421 120.701 120.300 -0.032 0.000 2.163 268 Y HA -0.161 4.391 4.550 0.003 0.000 0.288 268 Y C 2.200 178.030 175.900 -0.116 0.000 1.136 268 Y CA 1.533 59.573 58.100 -0.101 0.000 1.147 268 Y CB -0.210 38.203 38.460 -0.079 0.000 0.987 268 Y HN 0.135 nan 8.280 nan 0.000 0.509 269 L N -0.471 120.876 121.223 0.206 0.000 2.043 269 L HA -0.297 4.045 4.340 0.003 0.000 0.212 269 L C 2.398 179.266 176.870 -0.003 0.000 1.075 269 L CA 1.447 56.360 54.840 0.121 0.000 0.752 269 L CB -0.753 41.375 42.059 0.114 0.000 0.891 269 L HN 0.289 nan 8.230 nan 0.000 0.432 270 L N -0.659 120.533 121.223 -0.051 0.000 2.141 270 L HA -0.190 4.152 4.340 0.003 0.000 0.209 270 L C 2.755 179.524 176.870 -0.168 0.000 1.094 270 L CA 0.860 55.641 54.840 -0.098 0.000 0.763 270 L CB -0.448 41.543 42.059 -0.114 0.000 0.908 270 L HN 0.233 nan 8.230 nan 0.000 0.437 271 R N 0.354 120.699 120.500 -0.258 0.000 2.115 271 R HA -0.100 4.242 4.340 0.003 0.000 0.230 271 R C 2.179 178.227 176.300 -0.421 0.000 1.111 271 R CA 1.295 57.132 56.100 -0.438 0.000 0.976 271 R CB -0.293 29.554 30.300 -0.756 0.000 0.870 271 R HN 0.192 nan 8.270 nan 0.000 0.445 272 M N 0.171 119.600 119.600 -0.285 0.000 2.065 272 M HA -0.211 4.270 4.480 0.003 0.000 0.259 272 M C 2.061 178.293 176.300 -0.114 0.000 1.069 272 M CA 2.327 57.530 55.300 -0.161 0.000 1.110 272 M CB -0.285 32.315 32.600 -0.000 0.000 1.328 272 M HN 0.184 nan 8.290 nan 0.000 0.405 273 E N 0.715 120.864 120.200 -0.085 0.000 2.058 273 E HA -0.250 4.102 4.350 0.003 0.000 0.194 273 E C 1.805 178.350 176.600 -0.091 0.000 0.997 273 E CA 1.744 58.105 56.400 -0.065 0.000 0.801 273 E CB -0.370 29.300 29.700 -0.049 0.000 0.746 273 E HN 0.259 nan 8.360 nan 0.000 0.450 274 K N -0.247 120.072 120.400 -0.135 0.000 2.281 274 K HA -0.159 4.163 4.320 0.003 0.000 0.203 274 K C 0.143 176.656 176.600 -0.145 0.000 1.046 274 K CA 1.497 57.699 56.287 -0.142 0.000 0.938 274 K CB -0.090 32.300 32.500 -0.183 0.000 0.737 274 K HN 0.150 nan 8.250 nan 0.000 0.458 275 D N -0.229 120.074 120.400 -0.162 0.000 2.559 275 D HA 0.084 4.726 4.640 0.003 0.000 0.234 275 D C 0.662 176.926 176.300 -0.061 0.000 1.226 275 D CA 0.025 53.940 54.000 -0.142 0.000 0.830 275 D CB 0.644 41.308 40.800 -0.228 0.000 1.028 275 D HN 0.048 nan 8.370 nan 0.000 0.492 276 K N -0.409 119.970 120.400 -0.035 0.000 2.148 276 K HA 0.021 4.343 4.320 0.003 0.000 0.204 276 K C 1.019 177.631 176.600 0.019 0.000 1.050 276 K CA 0.771 57.063 56.287 0.008 0.000 0.942 276 K CB 0.236 32.737 32.500 0.002 0.000 0.724 276 K HN -0.039 nan 8.250 nan 0.000 0.446 277 S N 0.585 116.285 115.700 0.000 0.000 2.540 277 S HA -0.001 4.470 4.470 0.003 0.000 0.218 277 S C -0.126 174.479 174.600 0.007 0.000 0.977 277 S CA -0.249 57.954 58.200 0.005 0.000 0.918 277 S CB 0.230 63.426 63.200 -0.006 0.000 0.806 277 S HN 0.200 nan 8.310 nan 0.000 0.496 278 D N 2.547 122.950 120.400 0.005 0.000 2.396 278 D HA 0.265 4.907 4.640 0.003 0.000 0.225 278 D C -1.640 174.695 176.300 0.058 0.000 1.121 278 D CA -2.265 51.744 54.000 0.015 0.000 0.853 278 D CB 1.387 42.180 40.800 -0.011 0.000 1.043 278 D HN -0.017 nan 8.370 nan 0.000 0.500 279 P HA -0.075 nan 4.420 nan 0.000 0.223 279 P C 0.709 178.072 177.300 0.105 0.000 1.151 279 P CA 0.619 63.770 63.100 0.085 0.000 0.787 279 P CB 0.165 31.898 31.700 0.055 0.000 0.788 280 S N -2.173 113.576 115.700 0.082 0.000 2.597 280 S HA 0.138 4.609 4.470 0.003 0.000 0.224 280 S C 0.854 175.512 174.600 0.098 0.000 0.955 280 S CA -0.445 57.807 58.200 0.087 0.000 0.933 280 S CB -0.750 62.486 63.200 0.060 0.000 0.788 280 S HN 0.024 nan 8.310 nan 0.000 0.488 281 S N 1.563 117.321 115.700 0.098 0.000 2.549 281 S HA 0.086 4.558 4.470 0.003 0.000 0.286 281 S C 0.848 175.510 174.600 0.104 0.000 1.314 281 S CA -0.267 57.981 58.200 0.081 0.000 1.062 281 S CB 0.371 63.556 63.200 -0.026 0.000 0.865 281 S HN 0.452 nan 8.310 nan 0.000 0.498 282 E N 3.395 123.668 120.200 0.123 0.000 2.476 282 E HA 0.073 4.425 4.350 0.003 0.000 0.196 282 E C -0.708 175.776 176.600 -0.193 0.000 1.029 282 E CA 0.108 56.511 56.400 0.005 0.000 0.896 282 E CB 0.086 29.744 29.700 -0.069 0.000 1.012 282 E HN 0.674 nan 8.360 nan 0.000 0.475 283 F N 2.043 121.776 119.950 -0.362 0.000 2.541 283 F HA 0.182 4.711 4.527 0.003 0.000 0.351 283 F C 0.828 176.385 175.800 -0.405 0.000 1.209 283 F CA -0.112 57.612 58.000 -0.460 0.000 1.277 283 F CB -0.141 38.363 39.000 -0.827 0.000 1.632 283 F HN -0.113 nan 8.300 nan 0.000 0.619 284 H N -1.431 117.787 119.070 0.247 0.000 2.812 284 H HA 0.153 4.710 4.556 0.003 0.000 0.355 284 H C 0.982 176.444 175.328 0.225 0.000 1.207 284 H CA -0.762 55.425 56.048 0.231 0.000 1.217 284 H CB 0.850 30.708 29.762 0.160 0.000 1.874 284 H HN 0.361 nan 8.280 nan 0.000 0.581 285 H N 0.420 119.624 119.070 0.225 0.000 2.431 285 H HA -0.164 4.394 4.556 0.003 0.000 0.297 285 H C 1.626 176.947 175.328 -0.012 0.000 1.115 285 H CA 2.059 58.148 56.048 0.069 0.000 1.277 285 H CB 0.550 30.334 29.762 0.036 0.000 1.372 285 H HN 0.338 nan 8.280 nan 0.000 0.516 286 Q N 0.326 120.132 119.800 0.009 0.000 1.941 286 Q HA -0.120 4.221 4.340 0.003 0.000 0.201 286 Q C 2.181 178.121 176.000 -0.100 0.000 0.982 286 Q CA 1.219 56.908 55.803 -0.190 0.000 0.839 286 Q CB -0.643 27.736 28.738 -0.600 0.000 0.904 286 Q HN 0.522 nan 8.270 nan 0.000 0.427 287 N N 0.977 119.723 118.700 0.077 0.000 2.096 287 N HA -0.207 4.534 4.740 0.003 0.000 0.195 287 N C 1.781 177.291 175.510 0.001 0.000 1.017 287 N CA 1.151 54.289 53.050 0.148 0.000 0.870 287 N CB -0.576 38.018 38.487 0.179 0.000 1.024 287 N HN 0.169 nan 8.380 nan 0.000 0.434 288 L N 0.853 121.961 121.223 -0.191 0.000 2.017 288 L HA -0.075 4.267 4.340 0.003 0.000 0.208 288 L C 1.945 178.611 176.870 -0.339 0.000 1.073 288 L CA 1.490 55.962 54.840 -0.613 0.000 0.745 288 L CB -0.526 40.941 42.059 -0.987 0.000 0.894 288 L HN 0.082 nan 8.230 nan 0.000 0.432 289 I N -0.462 119.910 120.570 -0.330 0.000 2.226 289 I HA -0.267 3.905 4.170 0.003 0.000 0.245 289 I C 2.438 178.508 176.117 -0.078 0.000 1.100 289 I CA 1.492 62.647 61.300 -0.243 0.000 1.374 289 I CB -0.956 36.853 38.000 -0.317 0.000 1.057 289 I HN 0.331 nan 8.210 nan 0.000 0.413 290 L N -0.404 120.810 121.223 -0.014 0.000 2.492 290 L HA -0.047 4.294 4.340 0.003 0.000 0.223 290 L C 2.317 179.350 176.870 0.271 0.000 1.132 290 L CA 0.410 55.338 54.840 0.147 0.000 0.850 290 L CB -0.487 41.699 42.059 0.212 0.000 0.966 290 L HN 0.192 nan 8.230 nan 0.000 0.454 291 T N -0.428 114.213 114.554 0.145 0.000 2.770 291 T HA -0.103 4.248 4.350 0.003 0.000 0.258 291 T C 2.041 176.761 174.700 0.033 0.000 1.039 291 T CA 1.042 63.221 62.100 0.131 0.000 1.143 291 T CB 0.035 69.005 68.868 0.169 0.000 0.866 291 T HN 0.016 nan 8.240 nan 0.000 0.428 292 V N 1.975 121.856 119.914 -0.056 0.000 2.324 292 V HA -0.160 3.962 4.120 0.003 0.000 0.250 292 V C 2.434 178.623 176.094 0.158 0.000 1.060 292 V CA 1.445 63.678 62.300 -0.111 0.000 1.042 292 V CB -0.742 30.980 31.823 -0.167 0.000 0.650 292 V HN 0.322 nan 8.190 nan 0.000 0.450 293 L N 0.058 121.432 121.223 0.251 0.000 2.017 293 L HA -0.137 4.205 4.340 0.003 0.000 0.208 293 L C 2.551 179.725 176.870 0.506 0.000 1.073 293 L CA 2.235 57.318 54.840 0.405 0.000 0.745 293 L CB -0.682 41.557 42.059 0.300 0.000 0.894 293 L HN 0.279 nan 8.230 nan 0.000 0.432 294 S N -0.416 115.557 115.700 0.456 0.000 2.353 294 S HA -0.184 4.288 4.470 0.003 0.000 0.222 294 S C 1.932 176.657 174.600 0.208 0.000 1.035 294 S CA 1.812 60.202 58.200 0.317 0.000 1.025 294 S CB -0.528 62.751 63.200 0.131 0.000 0.902 294 S HN 0.443 nan 8.310 nan 0.000 0.440 295 L N -0.076 121.219 121.223 0.119 0.000 2.017 295 L HA -0.100 4.241 4.340 0.003 0.000 0.208 295 L C 2.306 179.280 176.870 0.175 0.000 1.073 295 L CA 1.223 56.087 54.840 0.041 0.000 0.745 295 L CB -0.477 41.490 42.059 -0.152 0.000 0.894 295 L HN 0.280 nan 8.230 nan 0.000 0.432 296 F N -0.525 119.463 119.950 0.063 0.000 2.365 296 F HA -0.186 4.342 4.527 0.002 0.000 0.300 296 F C 2.113 177.861 175.800 -0.087 0.000 1.090 296 F CA 0.652 58.716 58.000 0.108 0.000 1.408 296 F CB -0.318 38.892 39.000 0.350 0.000 1.060 296 F HN -0.047 nan 8.300 nan 0.000 0.534 297 F N 0.318 120.235 119.950 -0.055 0.000 2.059 297 F HA 0.110 4.639 4.527 0.004 0.000 0.289 297 F C 2.561 178.129 175.800 -0.387 0.000 1.128 297 F CA 1.368 59.147 58.000 -0.369 0.000 1.181 297 F CB -1.259 37.766 39.000 0.043 0.000 1.012 297 F HN -0.079 nan 8.300 nan 0.000 0.473 298 A N 0.359 123.183 122.820 0.006 0.000 1.892 298 A HA -0.184 4.138 4.320 0.003 0.000 0.218 298 A C 2.506 180.037 177.584 -0.089 0.000 1.188 298 A CA 2.169 54.124 52.037 -0.136 0.000 0.631 298 A CB -1.803 17.137 19.000 -0.100 0.000 0.822 298 A HN 0.533 nan 8.150 nan 0.000 0.447 299 G N -1.507 107.285 108.800 -0.014 0.000 2.545 299 G HA2 -0.254 3.707 3.960 0.003 0.000 0.222 299 G HA3 -0.254 3.707 3.960 0.003 0.000 0.222 299 G C 1.545 176.450 174.900 0.009 0.000 1.126 299 G CA 1.924 47.044 45.100 0.033 0.000 0.754 299 G HN 0.491 nan 8.290 nan 0.000 0.583 300 T N 0.133 114.621 114.554 -0.109 0.000 2.837 300 T HA 0.072 4.424 4.350 0.003 0.000 0.248 300 T C 1.928 176.499 174.700 -0.215 0.000 1.033 300 T CA 0.831 62.817 62.100 -0.190 0.000 1.150 300 T CB 0.005 68.588 68.868 -0.475 0.000 0.865 300 T HN 0.120 nan 8.240 nan 0.000 0.425 301 E N 1.148 121.145 120.200 -0.338 0.000 2.489 301 E HA 0.095 4.447 4.350 0.003 0.000 0.193 301 E C 1.665 178.016 176.600 -0.415 0.000 1.057 301 E CA 0.457 56.582 56.400 -0.458 0.000 0.866 301 E CB 0.118 29.372 29.700 -0.743 0.000 0.916 301 E HN 0.675 nan 8.360 nan 0.000 0.500 302 T N -3.063 111.343 114.554 -0.245 0.000 3.182 302 T HA -0.017 4.334 4.350 0.003 0.000 0.244 302 T C 1.931 176.630 174.700 -0.001 0.000 0.981 302 T CA 0.532 62.559 62.100 -0.122 0.000 1.182 302 T CB -0.526 68.252 68.868 -0.150 0.000 1.043 302 T HN -0.086 nan 8.240 nan 0.000 0.424 303 T N 3.192 117.759 114.554 0.022 0.000 2.792 303 T HA -0.188 4.164 4.350 0.003 0.000 0.268 303 T C 2.229 176.993 174.700 0.105 0.000 1.059 303 T CA 1.903 64.055 62.100 0.087 0.000 1.136 303 T CB -0.596 68.345 68.868 0.122 0.000 0.846 303 T HN 0.663 nan 8.240 nan 0.000 0.489 304 S N 1.256 117.024 115.700 0.113 0.000 2.460 304 S HA -0.058 4.414 4.470 0.003 0.000 0.226 304 S C 2.269 177.030 174.600 0.268 0.000 1.057 304 S CA 0.841 59.147 58.200 0.176 0.000 0.948 304 S CB -0.804 62.570 63.200 0.290 0.000 0.822 304 S HN 0.627 nan 8.310 nan 0.000 0.512 305 T N -0.338 114.385 114.554 0.283 0.000 2.962 305 T HA -0.060 4.291 4.350 0.003 0.000 0.270 305 T C 1.780 176.651 174.700 0.286 0.000 1.088 305 T CA 1.783 64.079 62.100 0.327 0.000 1.127 305 T CB -1.331 67.749 68.868 0.353 0.000 0.883 305 T HN 0.384 nan 8.240 nan 0.000 0.493 306 T N 2.349 117.023 114.554 0.200 0.000 2.674 306 T HA 0.081 4.433 4.350 0.003 0.000 0.265 306 T C 1.862 176.709 174.700 0.245 0.000 1.039 306 T CA 1.360 63.564 62.100 0.173 0.000 1.150 306 T CB -0.562 68.353 68.868 0.078 0.000 0.864 306 T HN 0.293 nan 8.240 nan 0.000 0.427 307 L N 0.385 121.744 121.223 0.227 0.000 2.013 307 L HA -0.199 4.142 4.340 0.003 0.000 0.212 307 L C 2.926 180.175 176.870 0.631 0.000 1.073 307 L CA 1.629 56.645 54.840 0.294 0.000 0.753 307 L CB -0.462 41.563 42.059 -0.057 0.000 0.890 307 L HN 0.170 nan 8.230 nan 0.000 0.432 308 R N -1.439 119.464 120.500 0.672 0.000 2.096 308 R HA -0.262 4.079 4.340 0.003 0.000 0.240 308 R C 2.329 179.007 176.300 0.629 0.000 1.139 308 R CA 2.232 58.754 56.100 0.704 0.000 0.952 308 R CB -0.552 30.038 30.300 0.484 0.000 0.854 308 R HN 0.285 nan 8.270 nan 0.000 0.436 309 Y N 0.497 120.993 120.300 0.328 0.000 2.163 309 Y HA -0.088 4.464 4.550 0.003 0.000 0.288 309 Y C 2.277 178.242 175.900 0.108 0.000 1.136 309 Y CA 1.515 59.724 58.100 0.182 0.000 1.147 309 Y CB -0.819 37.714 38.460 0.122 0.000 0.987 309 Y HN 0.092 nan 8.280 nan 0.000 0.509 310 G N -0.244 108.675 108.800 0.198 0.000 2.574 310 G HA2 -0.349 3.612 3.960 0.003 0.000 0.220 310 G HA3 -0.349 3.612 3.960 0.003 0.000 0.220 310 G C 1.586 176.477 174.900 -0.015 0.000 1.173 310 G CA 1.425 46.517 45.100 -0.014 0.000 0.772 310 G HN 0.452 nan 8.290 nan 0.000 0.585 311 F N -0.181 119.940 119.950 0.285 0.000 2.293 311 F HA 0.088 4.617 4.527 0.004 0.000 0.300 311 F C 2.381 178.161 175.800 -0.033 0.000 1.086 311 F CA 0.537 58.697 58.000 0.266 0.000 1.375 311 F CB -0.205 39.079 39.000 0.472 0.000 1.045 311 F HN 0.119 nan 8.300 nan 0.000 0.516 312 L N 0.114 121.265 121.223 -0.119 0.000 2.005 312 L HA -0.170 4.172 4.340 0.003 0.000 0.207 312 L C 2.140 178.755 176.870 -0.424 0.000 1.072 312 L CA 1.695 56.190 54.840 -0.575 0.000 0.744 312 L CB -0.890 40.733 42.059 -0.727 0.000 0.895 312 L HN 0.088 nan 8.230 nan 0.000 0.433 313 L N -1.215 119.720 121.223 -0.481 0.000 2.051 313 L HA -0.305 4.037 4.340 0.003 0.000 0.214 313 L C 2.555 179.285 176.870 -0.234 0.000 1.076 313 L CA 1.415 55.980 54.840 -0.459 0.000 0.758 313 L CB -0.658 40.944 42.059 -0.761 0.000 0.890 313 L HN 0.367 nan 8.230 nan 0.000 0.433 314 M N -0.792 118.708 119.600 -0.167 0.000 2.279 314 M HA -0.183 4.299 4.480 0.003 0.000 0.264 314 M C 2.249 178.533 176.300 -0.027 0.000 1.062 314 M CA 1.607 56.881 55.300 -0.045 0.000 1.099 314 M CB -0.961 31.604 32.600 -0.058 0.000 1.394 314 M HN 0.305 nan 8.290 nan 0.000 0.426 315 L N -0.517 120.654 121.223 -0.087 0.000 2.131 315 L HA -0.142 4.200 4.340 0.003 0.000 0.206 315 L C 2.543 179.318 176.870 -0.158 0.000 1.087 315 L CA 0.905 55.681 54.840 -0.107 0.000 0.767 315 L CB -0.485 41.485 42.059 -0.147 0.000 0.917 315 L HN 0.287 nan 8.230 nan 0.000 0.441 316 K N -0.132 120.124 120.400 -0.240 0.000 2.217 316 K HA -0.130 4.192 4.320 0.003 0.000 0.202 316 K C -0.151 176.111 176.600 -0.563 0.000 1.051 316 K CA 1.044 57.080 56.287 -0.418 0.000 0.952 316 K CB 0.223 32.414 32.500 -0.514 0.000 0.736 316 K HN 0.206 nan 8.250 nan 0.000 0.453 317 Y N 0.198 120.465 120.300 -0.054 0.000 2.562 317 Y HA 0.246 4.797 4.550 0.003 0.000 0.363 317 Y C -1.992 173.958 175.900 0.083 0.000 0.991 317 Y CA -2.153 55.978 58.100 0.051 0.000 1.121 317 Y CB 1.379 39.912 38.460 0.122 0.000 1.159 317 Y HN 0.095 nan 8.280 nan 0.000 0.651 318 P HA -0.244 nan 4.420 nan 0.000 0.219 318 P C 1.317 178.714 177.300 0.160 0.000 1.146 318 P CA 1.740 64.912 63.100 0.120 0.000 0.808 318 P CB 0.413 32.158 31.700 0.074 0.000 0.779 319 H N 0.815 119.972 119.070 0.145 0.000 2.267 319 H HA -0.123 4.435 4.556 0.003 0.000 0.297 319 H C 1.750 177.179 175.328 0.169 0.000 1.080 319 H CA 2.191 58.321 56.048 0.136 0.000 1.278 319 H CB -0.919 28.929 29.762 0.142 0.000 1.365 319 H HN -0.222 nan 8.280 nan 0.000 0.489 320 V N 0.107 120.150 119.914 0.216 0.000 2.282 320 V HA -0.338 3.784 4.120 0.003 0.000 0.249 320 V C 2.482 178.679 176.094 0.172 0.000 1.057 320 V CA 2.420 64.861 62.300 0.234 0.000 1.032 320 V CB -1.189 30.854 31.823 0.368 0.000 0.645 320 V HN 0.587 nan 8.190 nan 0.000 0.447 321 T N -0.168 114.469 114.554 0.138 0.000 2.759 321 T HA -0.209 4.143 4.350 0.003 0.000 0.269 321 T C 2.191 176.911 174.700 0.033 0.000 1.042 321 T CA 2.033 64.176 62.100 0.072 0.000 1.140 321 T CB -0.466 68.429 68.868 0.044 0.000 0.864 321 T HN 0.811 nan 8.240 nan 0.000 0.455 322 E N 1.861 122.061 120.200 0.001 0.000 2.110 322 E HA -0.154 4.198 4.350 0.003 0.000 0.193 322 E C 2.119 178.682 176.600 -0.062 0.000 0.988 322 E CA 1.205 57.585 56.400 -0.034 0.000 0.804 322 E CB -0.632 29.042 29.700 -0.043 0.000 0.745 322 E HN 0.580 nan 8.360 nan 0.000 0.458 323 R N -0.307 120.126 120.500 -0.111 0.000 2.092 323 R HA -0.022 4.320 4.340 0.003 0.000 0.231 323 R C 2.589 178.939 176.300 0.082 0.000 1.119 323 R CA 1.220 57.242 56.100 -0.130 0.000 0.970 323 R CB -0.406 29.649 30.300 -0.409 0.000 0.864 323 R HN 0.376 nan 8.270 nan 0.000 0.440 324 V N 1.142 121.189 119.914 0.221 0.000 2.343 324 V HA -0.268 3.854 4.120 0.003 0.000 0.247 324 V C 2.264 178.405 176.094 0.079 0.000 1.051 324 V CA 1.745 64.171 62.300 0.211 0.000 1.036 324 V CB -0.494 31.409 31.823 0.133 0.000 0.654 324 V HN 0.360 nan 8.190 nan 0.000 0.451 325 Q N -0.496 119.319 119.800 0.026 0.000 2.167 325 Q HA -0.182 4.159 4.340 0.003 0.000 0.202 325 Q C 2.357 178.358 176.000 0.001 0.000 0.970 325 Q CA 1.233 57.034 55.803 -0.003 0.000 0.855 325 Q CB -0.073 28.659 28.738 -0.009 0.000 0.911 325 Q HN 0.612 nan 8.270 nan 0.000 0.438 326 K N 0.411 120.809 120.400 -0.002 0.000 2.103 326 K HA -0.166 4.155 4.320 0.003 0.000 0.204 326 K C 1.871 178.477 176.600 0.010 0.000 1.052 326 K CA 1.003 57.285 56.287 -0.009 0.000 0.945 326 K CB 0.017 32.497 32.500 -0.034 0.000 0.722 326 K HN 0.202 nan 8.250 nan 0.000 0.443 327 E N 1.079 121.300 120.200 0.035 0.000 2.204 327 E HA -0.139 4.213 4.350 0.003 0.000 0.194 327 E C 1.819 178.459 176.600 0.068 0.000 0.989 327 E CA 0.679 57.119 56.400 0.067 0.000 0.824 327 E CB 0.093 29.876 29.700 0.137 0.000 0.756 327 E HN 0.247 nan 8.360 nan 0.000 0.477 328 I N 0.613 121.213 120.570 0.049 0.000 2.333 328 I HA -0.176 3.996 4.170 0.003 0.000 0.246 328 I C 2.439 178.572 176.117 0.027 0.000 1.106 328 I CA 0.925 62.246 61.300 0.035 0.000 1.411 328 I CB -0.105 37.894 38.000 -0.002 0.000 1.082 328 I HN 0.108 nan 8.210 nan 0.000 0.420 329 E N 1.174 121.383 120.200 0.015 0.000 2.110 329 E HA -0.265 4.086 4.350 0.003 0.000 0.193 329 E C 2.069 178.682 176.600 0.023 0.000 0.988 329 E CA 1.694 58.100 56.400 0.010 0.000 0.804 329 E CB -0.018 29.682 29.700 0.001 0.000 0.745 329 E HN 0.426 nan 8.360 nan 0.000 0.458 330 Q N -0.879 118.938 119.800 0.028 0.000 2.033 330 Q HA -0.014 4.328 4.340 0.003 0.000 0.196 330 Q C 2.241 178.266 176.000 0.041 0.000 0.970 330 Q CA 1.642 57.463 55.803 0.031 0.000 0.828 330 Q CB 0.109 28.863 28.738 0.027 0.000 0.895 330 Q HN 0.193 nan 8.270 nan 0.000 0.440 331 V N 0.034 119.981 119.914 0.054 0.000 2.302 331 V HA -0.153 3.969 4.120 0.003 0.000 0.243 331 V C 1.926 178.059 176.094 0.065 0.000 1.036 331 V CA 1.492 63.830 62.300 0.064 0.000 1.020 331 V CB -0.193 31.682 31.823 0.087 0.000 0.657 331 V HN 0.318 nan 8.190 nan 0.000 0.453 332 I N -1.011 119.599 120.570 0.067 0.000 2.628 332 I HA 0.374 4.546 4.170 0.003 0.000 0.255 332 I C 1.350 177.500 176.117 0.054 0.000 1.119 332 I CA 0.964 62.303 61.300 0.066 0.000 1.448 332 I CB -0.257 37.783 38.000 0.067 0.000 1.133 332 I HN 0.493 nan 8.210 nan 0.000 0.438 333 G N 1.063 109.888 108.800 0.042 0.000 2.725 333 G HA2 -0.258 3.704 3.960 0.003 0.000 0.220 333 G HA3 -0.258 3.704 3.960 0.003 0.000 0.220 333 G C 0.383 175.289 174.900 0.009 0.000 1.357 333 G CA -0.004 45.121 45.100 0.042 0.000 0.866 333 G HN 0.414 nan 8.290 nan 0.000 0.548 334 S N -1.833 113.854 115.700 -0.022 0.000 2.629 334 S HA 0.379 4.851 4.470 0.003 0.000 0.236 334 S C 1.102 175.511 174.600 -0.319 0.000 1.010 334 S CA 0.945 59.040 58.200 -0.175 0.000 0.981 334 S CB 0.295 63.351 63.200 -0.239 0.000 0.919 334 S HN 0.818 nan 8.310 nan 0.000 0.514 335 H N 1.995 121.063 119.070 -0.003 0.000 2.430 335 H HA 0.357 4.914 4.556 0.003 0.000 0.297 335 H C 0.977 176.307 175.328 0.004 0.000 1.016 335 H CA 0.311 56.358 56.048 -0.002 0.000 1.294 335 H CB 0.159 29.921 29.762 -0.000 0.000 1.465 335 H HN 0.466 nan 8.280 nan 0.000 0.547 336 R N 2.667 123.245 120.500 0.129 0.000 2.539 336 R HA 0.264 4.606 4.340 0.003 0.000 0.275 336 R C -2.535 173.798 176.300 0.056 0.000 1.077 336 R CA -1.787 54.361 56.100 0.080 0.000 1.097 336 R CB -0.080 30.261 30.300 0.069 0.000 1.018 336 R HN 0.011 nan 8.270 nan 0.000 0.483 337 P HA 0.191 nan 4.420 nan 0.000 0.274 337 P C -2.507 174.826 177.300 0.055 0.000 1.237 337 P CA -1.569 61.557 63.100 0.045 0.000 0.793 337 P CB 0.063 31.791 31.700 0.047 0.000 0.977 338 P HA 0.209 nan 4.420 nan 0.000 0.268 338 P C -0.668 176.707 177.300 0.124 0.000 1.205 338 P CA 0.409 63.562 63.100 0.089 0.000 0.771 338 P CB 0.297 32.018 31.700 0.035 0.000 0.858 339 A N 2.247 125.170 122.820 0.171 0.000 2.423 339 A HA 0.423 4.744 4.320 0.003 0.000 0.304 339 A C 0.548 178.231 177.584 0.164 0.000 1.104 339 A CA -0.515 51.599 52.037 0.129 0.000 0.757 339 A CB 0.753 19.799 19.000 0.076 0.000 1.313 339 A HN 0.547 nan 8.150 nan 0.000 0.423 340 L N 0.526 121.789 121.223 0.066 0.000 2.465 340 L HA 0.000 4.342 4.340 0.003 0.000 0.224 340 L C 1.402 178.177 176.870 -0.158 0.000 1.145 340 L CA 2.576 57.382 54.840 -0.057 0.000 0.834 340 L CB -0.566 41.457 42.059 -0.061 0.000 0.944 340 L HN 0.865 nan 8.230 nan 0.000 0.451 341 D N -3.070 117.292 120.400 -0.064 0.000 2.355 341 D HA -0.134 4.508 4.640 0.003 0.000 0.218 341 D C 1.223 177.483 176.300 -0.066 0.000 1.004 341 D CA 0.467 54.423 54.000 -0.073 0.000 0.880 341 D CB -0.210 40.572 40.800 -0.031 0.000 0.911 341 D HN 0.265 nan 8.370 nan 0.000 0.528 342 D N 0.612 120.996 120.400 -0.027 0.000 2.224 342 D HA -0.103 4.538 4.640 0.003 0.000 0.205 342 D C 1.850 178.134 176.300 -0.026 0.000 0.965 342 D CA 0.350 54.388 54.000 0.062 0.000 0.852 342 D CB -0.203 40.745 40.800 0.247 0.000 0.947 342 D HN 0.282 nan 8.370 nan 0.000 0.494 343 R N 0.848 121.093 120.500 -0.424 0.000 2.105 343 R HA -0.134 4.208 4.340 0.003 0.000 0.239 343 R C 1.940 178.136 176.300 -0.174 0.000 1.135 343 R CA 1.480 57.231 56.100 -0.582 0.000 0.967 343 R CB -0.034 29.613 30.300 -1.088 0.000 0.861 343 R HN 0.093 nan 8.270 nan 0.000 0.442 344 A N 0.516 123.256 122.820 -0.133 0.000 1.968 344 A HA -0.083 4.239 4.320 0.003 0.000 0.217 344 A C 1.835 179.411 177.584 -0.013 0.000 1.169 344 A CA 1.128 53.128 52.037 -0.062 0.000 0.638 344 A CB -0.079 18.888 19.000 -0.056 0.000 0.812 344 A HN 0.202 nan 8.150 nan 0.000 0.446 345 K N -0.829 119.574 120.400 0.005 0.000 2.525 345 K HA 0.206 4.527 4.320 0.003 0.000 0.192 345 K C 0.155 176.799 176.600 0.073 0.000 1.029 345 K CA 0.528 56.838 56.287 0.038 0.000 1.029 345 K CB -0.043 32.484 32.500 0.044 0.000 0.814 345 K HN 0.470 nan 8.250 nan 0.000 0.503 346 M N 0.581 120.238 119.600 0.096 0.000 2.952 346 M HA 0.159 4.641 4.480 0.003 0.000 0.259 346 M C -2.048 174.342 176.300 0.149 0.000 1.306 346 M CA -1.258 54.137 55.300 0.159 0.000 0.626 346 M CB 1.422 34.181 32.600 0.264 0.000 1.423 346 M HN -0.166 nan 8.290 nan 0.000 0.459 347 P HA -0.189 nan 4.420 nan 0.000 0.222 347 P C 1.076 178.431 177.300 0.092 0.000 1.147 347 P CA 1.359 64.503 63.100 0.073 0.000 0.790 347 P CB 0.089 31.826 31.700 0.061 0.000 0.780 348 Y N 1.510 121.837 120.300 0.045 0.000 2.133 348 Y HA -0.133 4.419 4.550 0.003 0.000 0.287 348 Y C 2.421 178.363 175.900 0.070 0.000 1.134 348 Y CA 2.090 60.213 58.100 0.039 0.000 1.133 348 Y CB -1.140 37.340 38.460 0.033 0.000 0.987 348 Y HN -0.127 nan 8.280 nan 0.000 0.502 349 T N 0.159 114.752 114.554 0.065 0.000 2.720 349 T HA -0.214 4.138 4.350 0.003 0.000 0.268 349 T C 1.544 176.280 174.700 0.058 0.000 1.037 349 T CA 1.715 63.860 62.100 0.075 0.000 1.144 349 T CB -0.494 68.513 68.868 0.231 0.000 0.864 349 T HN 0.381 nan 8.240 nan 0.000 0.444 350 D N 1.014 121.476 120.400 0.103 0.000 2.097 350 D HA -0.048 4.593 4.640 0.003 0.000 0.195 350 D C 2.306 178.575 176.300 -0.053 0.000 0.989 350 D CA 1.319 55.377 54.000 0.097 0.000 0.827 350 D CB -0.408 40.425 40.800 0.056 0.000 0.966 350 D HN 0.354 nan 8.370 nan 0.000 0.456 351 A N 0.175 122.873 122.820 -0.204 0.000 1.883 351 A HA -0.167 4.155 4.320 0.003 0.000 0.217 351 A C 2.640 180.060 177.584 -0.274 0.000 1.186 351 A CA 1.978 53.839 52.037 -0.294 0.000 0.624 351 A CB -0.905 17.980 19.000 -0.191 0.000 0.822 351 A HN 0.207 nan 8.150 nan 0.000 0.444 352 V N 0.146 119.878 119.914 -0.302 0.000 2.255 352 V HA -0.311 3.811 4.120 0.003 0.000 0.247 352 V C 2.425 178.449 176.094 -0.117 0.000 1.051 352 V CA 2.189 64.375 62.300 -0.189 0.000 1.018 352 V CB -0.849 30.889 31.823 -0.142 0.000 0.641 352 V HN 0.580 nan 8.190 nan 0.000 0.445 353 I N -0.544 119.937 120.570 -0.148 0.000 2.118 353 I HA -0.331 3.841 4.170 0.003 0.000 0.241 353 I C 2.521 178.556 176.117 -0.136 0.000 1.070 353 I CA 2.091 63.289 61.300 -0.171 0.000 1.327 353 I CB -0.684 37.271 38.000 -0.076 0.000 1.034 353 I HN 0.340 nan 8.210 nan 0.000 0.405 354 H N -0.002 118.824 119.070 -0.407 0.000 2.321 354 H HA -0.267 4.290 4.556 0.003 0.000 0.295 354 H C 2.132 177.123 175.328 -0.562 0.000 1.102 354 H CA 2.033 57.589 56.048 -0.820 0.000 1.266 354 H CB -0.329 28.229 29.762 -2.006 0.000 1.363 354 H HN 0.346 nan 8.280 nan 0.000 0.492 355 E N 0.421 120.480 120.200 -0.235 0.000 2.208 355 E HA -0.058 4.294 4.350 0.003 0.000 0.193 355 E C 1.970 178.722 176.600 0.253 0.000 0.988 355 E CA 0.692 57.131 56.400 0.065 0.000 0.828 355 E CB -0.267 29.413 29.700 -0.033 0.000 0.763 355 E HN 0.530 nan 8.360 nan 0.000 0.478 356 I N 0.368 121.065 120.570 0.211 0.000 2.202 356 I HA -0.274 3.898 4.170 0.003 0.000 0.242 356 I C 2.450 178.667 176.117 0.167 0.000 1.091 356 I CA 1.159 62.586 61.300 0.211 0.000 1.368 356 I CB -0.430 37.588 38.000 0.030 0.000 1.058 356 I HN 0.175 nan 8.210 nan 0.000 0.410 357 Q N 0.480 120.326 119.800 0.076 0.000 2.061 357 Q HA -0.269 4.073 4.340 0.003 0.000 0.204 357 Q C 2.383 178.428 176.000 0.074 0.000 0.984 357 Q CA 1.645 57.468 55.803 0.033 0.000 0.846 357 Q CB -0.341 28.395 28.738 -0.003 0.000 0.902 357 Q HN 0.430 nan 8.270 nan 0.000 0.421 358 R N 0.386 121.016 120.500 0.216 0.000 2.081 358 R HA -0.150 4.192 4.340 0.003 0.000 0.235 358 R C 2.021 178.291 176.300 -0.049 0.000 1.131 358 R CA 1.085 57.252 56.100 0.113 0.000 0.960 358 R CB -0.041 30.316 30.300 0.096 0.000 0.856 358 R HN 0.210 nan 8.270 nan 0.000 0.436 359 L N -0.235 121.027 121.223 0.066 0.000 2.298 359 L HA 0.252 4.594 4.340 0.003 0.000 0.209 359 L C 2.028 178.977 176.870 0.132 0.000 1.084 359 L CA 1.435 56.347 54.840 0.120 0.000 0.816 359 L CB -0.238 42.005 42.059 0.307 0.000 0.967 359 L HN 0.228 nan 8.230 nan 0.000 0.460 360 G N -0.610 108.222 108.800 0.054 0.000 2.453 360 G HA2 -0.320 3.642 3.960 0.003 0.000 0.215 360 G HA3 -0.320 3.642 3.960 0.003 0.000 0.215 360 G C 0.503 175.208 174.900 -0.325 0.000 1.201 360 G CA 0.904 45.697 45.100 -0.513 0.000 0.784 360 G HN 0.588 nan 8.290 nan 0.000 0.545 361 D N -1.536 118.779 120.400 -0.142 0.000 2.746 361 D HA -0.126 4.515 4.640 0.003 0.000 0.236 361 D C 1.115 177.346 176.300 -0.116 0.000 1.129 361 D CA 0.249 54.204 54.000 -0.076 0.000 0.691 361 D CB -1.252 39.606 40.800 0.097 0.000 1.077 361 D HN 0.149 nan 8.370 nan 0.000 0.432 362 L N -0.217 120.918 121.223 -0.146 0.000 2.633 362 L HA 0.168 4.510 4.340 0.003 0.000 0.235 362 L C 1.232 178.037 176.870 -0.109 0.000 1.163 362 L CA 1.001 55.774 54.840 -0.112 0.000 0.859 362 L CB -0.760 41.258 42.059 -0.068 0.000 0.973 362 L HN 0.459 nan 8.230 nan 0.000 0.451 363 I N 0.307 120.787 120.570 -0.150 0.000 2.668 363 I HA 0.160 4.332 4.170 0.003 0.000 0.276 363 I C -1.559 174.428 176.117 -0.217 0.000 1.139 363 I CA -1.130 60.050 61.300 -0.200 0.000 1.133 363 I CB 1.685 39.580 38.000 -0.176 0.000 1.327 363 I HN -0.156 nan 8.210 nan 0.000 0.520 364 P HA -0.078 nan 4.420 nan 0.000 0.223 364 P C 0.395 177.709 177.300 0.023 0.000 1.151 364 P CA 1.334 64.361 63.100 -0.122 0.000 0.787 364 P CB 0.007 31.648 31.700 -0.100 0.000 0.788 365 F N -3.514 116.490 119.950 0.091 0.000 2.677 365 F HA 0.712 5.240 4.527 0.003 0.000 0.388 365 F C 0.686 176.543 175.800 0.095 0.000 1.400 365 F CA -0.989 57.109 58.000 0.164 0.000 1.162 365 F CB -0.331 38.877 39.000 0.347 0.000 1.135 365 F HN -0.052 nan 8.300 nan 0.000 0.516 366 G N 0.474 109.288 108.800 0.023 0.000 2.888 366 G HA2 -0.078 3.884 3.960 0.003 0.000 0.441 366 G HA3 -0.078 3.884 3.960 0.003 0.000 0.441 366 G C -0.861 174.011 174.900 -0.046 0.000 1.461 366 G CA -0.601 44.498 45.100 -0.001 0.000 0.897 366 G HN 0.527 nan 8.290 nan 0.000 0.547 367 V N 2.941 122.814 119.914 -0.068 0.000 2.465 367 V HA 0.460 4.582 4.120 0.003 0.000 0.279 367 V C -1.135 174.878 176.094 -0.135 0.000 1.045 367 V CA -0.831 61.398 62.300 -0.119 0.000 0.938 367 V CB 1.390 33.101 31.823 -0.186 0.000 0.986 367 V HN 0.798 nan 8.190 nan 0.000 0.467 368 P HA 0.088 nan 4.420 nan 0.000 0.264 368 P C -0.760 176.423 177.300 -0.194 0.000 1.183 368 P CA 0.341 63.210 63.100 -0.384 0.000 0.763 368 P CB 0.504 31.921 31.700 -0.472 0.000 0.807 369 H N -0.024 118.914 119.070 -0.219 0.000 2.693 369 H HA 0.681 5.239 4.556 0.003 0.000 0.348 369 H C 0.372 175.637 175.328 -0.104 0.000 1.222 369 H CA -0.051 55.914 56.048 -0.139 0.000 1.270 369 H CB 1.518 31.238 29.762 -0.070 0.000 1.798 369 H HN 0.407 nan 8.280 nan 0.000 0.592 370 T N -1.638 112.929 114.554 0.023 0.000 2.916 370 T HA 0.498 4.850 4.350 0.003 0.000 0.305 370 T C -0.596 174.042 174.700 -0.104 0.000 1.119 370 T CA -0.962 61.114 62.100 -0.039 0.000 1.008 370 T CB 0.574 69.401 68.868 -0.068 0.000 1.129 370 T HN 0.551 nan 8.240 nan 0.000 0.480 371 V N 1.243 121.034 119.914 -0.206 0.000 2.686 371 V HA 0.517 4.639 4.120 0.003 0.000 0.295 371 V C 1.463 177.420 176.094 -0.230 0.000 1.055 371 V CA 0.432 62.505 62.300 -0.378 0.000 1.050 371 V CB 0.440 31.937 31.823 -0.544 0.000 0.984 371 V HN 1.229 nan 8.190 nan 0.000 0.482 372 T N 0.816 115.243 114.554 -0.211 0.000 2.976 372 T HA 0.140 4.492 4.350 0.003 0.000 0.257 372 T C 0.681 175.323 174.700 -0.098 0.000 1.051 372 T CA 0.804 62.830 62.100 -0.123 0.000 1.141 372 T CB -0.097 68.722 68.868 -0.082 0.000 0.881 372 T HN 0.951 nan 8.240 nan 0.000 0.461 373 K N 0.412 120.743 120.400 -0.115 0.000 2.331 373 K HA 0.408 4.730 4.320 0.003 0.000 0.238 373 K C -1.304 175.237 176.600 -0.098 0.000 1.058 373 K CA -0.908 55.331 56.287 -0.080 0.000 0.871 373 K CB 0.983 33.451 32.500 -0.053 0.000 1.292 373 K HN -0.097 nan 8.250 nan 0.000 0.470 374 D N 1.995 122.359 120.400 -0.060 0.000 2.458 374 D HA 0.066 4.708 4.640 0.003 0.000 0.243 374 D C -0.582 175.688 176.300 -0.049 0.000 1.146 374 D CA 0.794 54.764 54.000 -0.049 0.000 0.877 374 D CB 0.860 41.650 40.800 -0.018 0.000 1.176 374 D HN 0.434 nan 8.370 nan 0.000 0.461 375 T N 1.804 116.325 114.554 -0.055 0.000 2.848 375 T HA 0.244 4.596 4.350 0.003 0.000 0.285 375 T C 0.003 174.753 174.700 0.084 0.000 0.995 375 T CA -0.944 61.139 62.100 -0.027 0.000 0.970 375 T CB 2.020 70.788 68.868 -0.167 0.000 0.976 375 T HN 0.157 nan 8.240 nan 0.000 0.441 376 Q N 2.167 122.042 119.800 0.126 0.000 2.361 376 Q HA 0.355 4.697 4.340 0.003 0.000 0.250 376 Q C -1.438 174.737 176.000 0.291 0.000 1.023 376 Q CA -0.270 55.637 55.803 0.174 0.000 0.915 376 Q CB 0.707 29.513 28.738 0.113 0.000 1.238 376 Q HN 0.604 nan 8.270 nan 0.000 0.451 377 F N 3.172 123.227 119.950 0.175 0.000 2.445 377 F HA 0.298 4.827 4.527 0.003 0.000 0.348 377 F C 0.094 176.044 175.800 0.251 0.000 1.125 377 F CA -0.666 57.455 58.000 0.202 0.000 0.983 377 F CB 0.668 39.807 39.000 0.232 0.000 1.198 377 F HN 0.547 nan 8.300 nan 0.000 0.436 378 R N 3.993 124.270 120.500 -0.373 0.000 3.336 378 R HA -0.181 4.161 4.340 0.003 0.000 0.260 378 R C 0.753 177.122 176.300 0.114 0.000 1.032 378 R CA 0.673 56.637 56.100 -0.227 0.000 0.693 378 R CB -1.888 28.177 30.300 -0.391 0.000 1.134 378 R HN 1.351 nan 8.270 nan 0.000 0.433 379 G N 0.005 108.840 108.800 0.057 0.000 2.386 379 G HA2 -0.317 3.645 3.960 0.003 0.000 0.295 379 G HA3 -0.317 3.645 3.960 0.003 0.000 0.295 379 G C -0.442 174.419 174.900 -0.065 0.000 0.979 379 G CA 0.812 45.913 45.100 0.001 0.000 1.193 379 G HN 0.537 nan 8.290 nan 0.000 0.508 380 Y N -2.156 118.174 120.300 0.050 0.000 2.615 380 Y HA 0.567 5.119 4.550 0.003 0.000 0.341 380 Y C 0.105 176.060 175.900 0.091 0.000 1.089 380 Y CA -1.173 56.974 58.100 0.078 0.000 1.049 380 Y CB 2.211 40.741 38.460 0.118 0.000 1.296 380 Y HN 0.142 nan 8.280 nan 0.000 0.470 381 V N 3.886 123.943 119.914 0.237 0.000 2.357 381 V HA 0.380 4.502 4.120 0.003 0.000 0.284 381 V C -0.503 175.674 176.094 0.138 0.000 1.018 381 V CA -0.630 61.761 62.300 0.152 0.000 0.841 381 V CB 1.026 32.898 31.823 0.082 0.000 0.991 381 V HN 0.474 nan 8.190 nan 0.000 0.437 382 I N 8.674 129.302 120.570 0.097 0.000 2.297 382 I HA 0.322 4.494 4.170 0.003 0.000 0.291 382 I C -2.054 174.046 176.117 -0.029 0.000 1.033 382 I CA -1.931 59.382 61.300 0.022 0.000 1.253 382 I CB 1.549 39.533 38.000 -0.026 0.000 1.396 382 I HN 0.391 nan 8.210 nan 0.000 0.476 383 P HA -0.032 nan 4.420 nan 0.000 0.269 383 P C -0.406 176.859 177.300 -0.057 0.000 1.209 383 P CA -0.380 62.705 63.100 -0.024 0.000 0.776 383 P CB 0.648 32.345 31.700 -0.005 0.000 0.876 384 K N 2.784 123.151 120.400 -0.055 0.000 2.569 384 K HA -0.180 4.142 4.320 0.003 0.000 0.280 384 K C 0.431 176.994 176.600 -0.061 0.000 0.984 384 K CA 0.746 56.993 56.287 -0.068 0.000 1.064 384 K CB -0.608 31.864 32.500 -0.046 0.000 0.866 384 K HN 0.384 nan 8.250 nan 0.000 0.492 385 N N 0.687 119.341 118.700 -0.077 0.000 2.936 385 N HA -0.167 4.575 4.740 0.003 0.000 0.236 385 N C -1.236 174.241 175.510 -0.055 0.000 0.930 385 N CA 1.690 54.703 53.050 -0.061 0.000 0.966 385 N CB -1.172 37.292 38.487 -0.038 0.000 1.090 385 N HN 0.706 nan 8.380 nan 0.000 0.592 386 T N 0.469 114.983 114.554 -0.067 0.000 2.901 386 T HA 0.132 4.484 4.350 0.003 0.000 0.301 386 T C 0.441 175.109 174.700 -0.054 0.000 1.012 386 T CA -0.301 61.763 62.100 -0.061 0.000 1.135 386 T CB 1.502 70.328 68.868 -0.069 0.000 0.936 386 T HN 0.106 nan 8.240 nan 0.000 0.539 387 E N 1.696 121.882 120.200 -0.024 0.000 2.373 387 E HA 0.320 4.671 4.350 0.003 0.000 0.267 387 E C -1.080 175.554 176.600 0.057 0.000 1.032 387 E CA -0.372 56.044 56.400 0.028 0.000 0.889 387 E CB 0.530 30.283 29.700 0.088 0.000 0.984 387 E HN 0.338 nan 8.360 nan 0.000 0.425 388 V N 5.356 125.321 119.914 0.085 0.000 2.531 388 V HA 0.263 4.385 4.120 0.003 0.000 0.301 388 V C -1.012 175.140 176.094 0.097 0.000 1.034 388 V CA -0.656 61.696 62.300 0.087 0.000 0.865 388 V CB 1.184 33.085 31.823 0.129 0.000 0.995 388 V HN 0.574 nan 8.190 nan 0.000 0.424 389 F N 6.418 126.280 119.950 -0.147 0.000 2.309 389 F HA 0.459 4.987 4.527 0.003 0.000 0.366 389 F C -2.156 173.590 175.800 -0.089 0.000 1.104 389 F CA -2.824 55.134 58.000 -0.069 0.000 1.179 389 F CB 1.338 40.260 39.000 -0.130 0.000 1.437 389 F HN 0.301 nan 8.300 nan 0.000 0.528 390 P HA 0.076 nan 4.420 nan 0.000 0.275 390 P C -0.417 176.936 177.300 0.089 0.000 1.276 390 P CA -0.043 63.024 63.100 -0.056 0.000 0.782 390 P CB 0.756 32.339 31.700 -0.196 0.000 0.851 391 V N 5.856 125.844 119.914 0.124 0.000 2.313 391 V HA 0.052 4.174 4.120 0.003 0.000 0.252 391 V C 1.811 177.996 176.094 0.152 0.000 1.112 391 V CA 0.101 62.542 62.300 0.235 0.000 0.984 391 V CB -0.366 31.626 31.823 0.282 0.000 1.157 391 V HN 0.514 nan 8.190 nan 0.000 0.493 392 L N 2.363 123.654 121.223 0.113 0.000 2.201 392 L HA -0.099 4.243 4.340 0.003 0.000 0.212 392 L C 2.496 179.427 176.870 0.101 0.000 1.105 392 L CA 1.372 56.246 54.840 0.056 0.000 0.775 392 L CB -0.401 41.653 42.059 -0.008 0.000 0.913 392 L HN 0.697 nan 8.230 nan 0.000 0.440 393 S N -0.083 115.699 115.700 0.137 0.000 2.423 393 S HA -0.142 4.330 4.470 0.003 0.000 0.231 393 S C 2.165 176.911 174.600 0.243 0.000 1.014 393 S CA 1.412 59.722 58.200 0.182 0.000 0.965 393 S CB -0.119 63.146 63.200 0.109 0.000 0.785 393 S HN 0.610 nan 8.310 nan 0.000 0.495 394 S N 0.379 116.197 115.700 0.195 0.000 2.527 394 S HA 0.329 4.800 4.470 0.003 0.000 0.222 394 S C 1.785 176.514 174.600 0.214 0.000 0.985 394 S CA 0.550 58.872 58.200 0.202 0.000 0.921 394 S CB -0.166 63.141 63.200 0.179 0.000 0.772 394 S HN 0.557 nan 8.310 nan 0.000 0.529 395 A N 2.071 125.002 122.820 0.186 0.000 1.903 395 A HA 0.379 4.700 4.320 0.003 0.000 0.213 395 A C 2.145 179.913 177.584 0.306 0.000 1.185 395 A CA 0.645 52.785 52.037 0.172 0.000 0.628 395 A CB -0.618 18.427 19.000 0.075 0.000 0.830 395 A HN 0.503 nan 8.150 nan 0.000 0.446 396 L N -1.179 120.205 121.223 0.268 0.000 2.291 396 L HA -0.073 4.269 4.340 0.003 0.000 0.214 396 L C 1.229 178.090 176.870 -0.015 0.000 1.120 396 L CA 0.902 55.851 54.840 0.182 0.000 0.799 396 L CB -0.404 41.686 42.059 0.052 0.000 0.925 396 L HN 0.469 nan 8.230 nan 0.000 0.446 397 H N -1.860 117.309 119.070 0.165 0.000 2.487 397 H HA 0.135 4.693 4.556 0.003 0.000 0.290 397 H C -0.378 175.106 175.328 0.259 0.000 1.081 397 H CA -0.610 55.534 56.048 0.160 0.000 1.116 397 H CB -0.093 29.734 29.762 0.108 0.000 1.560 397 H HN 0.000 nan 8.280 nan 0.000 0.548 398 D N 1.266 121.938 120.400 0.453 0.000 2.338 398 D HA 0.033 4.675 4.640 0.003 0.000 0.255 398 D C -1.554 174.912 176.300 0.277 0.000 1.237 398 D CA -2.251 51.949 54.000 0.333 0.000 0.883 398 D CB 1.342 42.324 40.800 0.305 0.000 1.087 398 D HN 0.101 nan 8.370 nan 0.000 0.485 399 P HA -0.089 nan 4.420 nan 0.000 0.219 399 P C 0.889 178.205 177.300 0.028 0.000 1.146 399 P CA 0.876 64.046 63.100 0.117 0.000 0.808 399 P CB 0.216 31.971 31.700 0.091 0.000 0.779 400 R N -2.525 117.978 120.500 0.006 0.000 2.328 400 R HA -0.050 4.292 4.340 0.003 0.000 0.207 400 R C 1.024 177.022 176.300 -0.504 0.000 1.056 400 R CA 1.087 57.064 56.100 -0.204 0.000 1.016 400 R CB -0.272 29.911 30.300 -0.194 0.000 0.872 400 R HN 0.367 nan 8.270 nan 0.000 0.471 401 Y N -2.694 117.466 120.300 -0.233 0.000 2.476 401 Y HA 0.227 4.778 4.550 0.003 0.000 0.274 401 Y C -0.221 175.242 175.900 -0.729 0.000 1.120 401 Y CA -0.533 57.261 58.100 -0.510 0.000 1.214 401 Y CB 0.910 38.935 38.460 -0.726 0.000 1.285 401 Y HN -0.199 nan 8.280 nan 0.000 0.520 402 F N 1.421 121.369 119.950 -0.004 0.000 2.477 402 F HA 0.392 4.921 4.527 0.003 0.000 0.335 402 F C 0.051 175.784 175.800 -0.112 0.000 1.130 402 F CA -1.678 56.199 58.000 -0.205 0.000 0.948 402 F CB 0.966 39.696 39.000 -0.449 0.000 1.154 402 F HN -0.215 nan 8.300 nan 0.000 0.439 403 E N 0.193 120.466 120.200 0.121 0.000 2.437 403 E HA 0.017 4.369 4.350 0.003 0.000 0.263 403 E C 0.616 177.330 176.600 0.190 0.000 1.030 403 E CA 0.574 57.063 56.400 0.148 0.000 0.934 403 E CB 0.355 30.155 29.700 0.166 0.000 0.943 403 E HN 0.745 nan 8.360 nan 0.000 0.444 404 T N 2.666 117.308 114.554 0.145 0.000 3.720 404 T HA -0.087 4.265 4.350 0.003 0.000 0.381 404 T C -2.003 172.794 174.700 0.163 0.000 0.763 404 T CA 0.170 62.358 62.100 0.147 0.000 1.957 404 T CB -0.536 68.413 68.868 0.135 0.000 1.767 404 T HN 0.326 nan 8.240 nan 0.000 0.743 405 P HA 0.120 nan 4.420 nan 0.000 0.237 405 P C 1.081 178.441 177.300 0.101 0.000 1.178 405 P CA 0.405 63.544 63.100 0.065 0.000 0.766 405 P CB 0.148 31.928 31.700 0.134 0.000 0.876 406 N N -1.071 117.736 118.700 0.178 0.000 2.280 406 N HA 0.053 4.795 4.740 0.003 0.000 0.192 406 N C 0.016 175.650 175.510 0.207 0.000 1.109 406 N CA 0.569 53.750 53.050 0.219 0.000 0.855 406 N CB 0.213 38.821 38.487 0.202 0.000 0.974 406 N HN 0.127 nan 8.380 nan 0.000 0.482 407 T N 0.657 115.330 114.554 0.197 0.000 2.855 407 T HA 0.247 4.599 4.350 0.003 0.000 0.281 407 T C -0.280 174.555 174.700 0.226 0.000 1.007 407 T CA -0.617 61.613 62.100 0.217 0.000 1.009 407 T CB 1.475 70.448 68.868 0.176 0.000 0.983 407 T HN -0.041 nan 8.240 nan 0.000 0.455 408 F N 3.888 123.875 119.950 0.061 0.000 2.578 408 F HA 0.356 4.885 4.527 0.003 0.000 0.381 408 F C 0.424 176.117 175.800 -0.179 0.000 1.069 408 F CA 0.073 58.027 58.000 -0.076 0.000 1.231 408 F CB 0.063 38.920 39.000 -0.239 0.000 1.086 408 F HN 0.428 nan 8.300 nan 0.000 0.564 409 N N 7.268 125.492 118.700 -0.793 0.000 2.537 409 N HA 0.293 5.035 4.740 0.003 0.000 0.281 409 N C -2.554 172.491 175.510 -0.774 0.000 1.097 409 N CA -1.597 50.972 53.050 -0.803 0.000 0.964 409 N CB 2.369 40.439 38.487 -0.696 0.000 1.588 409 N HN 0.093 nan 8.380 nan 0.000 0.511 410 P HA 0.113 nan 4.420 nan 0.000 0.225 410 P C 1.163 178.354 177.300 -0.182 0.000 1.156 410 P CA 0.739 63.605 63.100 -0.389 0.000 0.787 410 P CB 0.239 31.709 31.700 -0.384 0.000 0.802 411 G N -0.301 108.347 108.800 -0.253 0.000 2.462 411 G HA2 -0.257 3.704 3.960 0.003 0.000 0.220 411 G HA3 -0.257 3.704 3.960 0.003 0.000 0.220 411 G C 1.246 176.023 174.900 -0.206 0.000 1.121 411 G CA 0.604 45.589 45.100 -0.190 0.000 0.758 411 G HN 0.351 nan 8.290 nan 0.000 0.559 412 H N -0.658 118.305 119.070 -0.178 0.000 2.541 412 H HA -0.008 4.550 4.556 0.003 0.000 0.289 412 H C 0.738 175.681 175.328 -0.641 0.000 1.054 412 H CA 0.597 56.428 56.048 -0.362 0.000 1.250 412 H CB -0.094 29.388 29.762 -0.467 0.000 1.369 412 H HN 0.499 nan 8.280 nan 0.000 0.578 413 F N -0.103 119.831 119.950 -0.025 0.000 2.764 413 F HA 0.318 4.847 4.527 0.003 0.000 0.310 413 F C 0.155 175.888 175.800 -0.112 0.000 1.124 413 F CA -0.074 57.861 58.000 -0.108 0.000 1.252 413 F CB 0.716 39.553 39.000 -0.271 0.000 1.010 413 F HN -0.152 nan 8.300 nan 0.000 0.518 414 L N 0.376 121.621 121.223 0.035 0.000 2.354 414 L HA 0.507 4.849 4.340 0.003 0.000 0.264 414 L C -0.858 176.018 176.870 0.010 0.000 1.008 414 L CA -1.086 53.773 54.840 0.032 0.000 0.819 414 L CB 2.050 44.142 42.059 0.055 0.000 1.339 414 L HN -0.018 nan 8.230 nan 0.000 0.420 415 D N 0.752 121.160 120.400 0.014 0.000 2.506 415 D HA 0.459 5.101 4.640 0.003 0.000 0.254 415 D C 0.945 177.249 176.300 0.007 0.000 1.089 415 D CA -0.239 53.764 54.000 0.005 0.000 1.050 415 D CB 1.050 41.854 40.800 0.006 0.000 1.221 415 D HN 0.502 nan 8.370 nan 0.000 0.589 416 A N 0.256 123.077 122.820 0.002 0.000 1.969 416 A HA -0.328 3.994 4.320 0.003 0.000 0.223 416 A C 1.635 179.222 177.584 0.005 0.000 1.218 416 A CA 2.036 54.074 52.037 0.001 0.000 0.667 416 A CB -0.933 18.067 19.000 -0.000 0.000 0.826 416 A HN 0.631 nan 8.150 nan 0.000 0.472 417 N N -1.469 117.236 118.700 0.009 0.000 2.336 417 N HA 0.180 4.922 4.740 0.003 0.000 0.189 417 N C 1.137 176.657 175.510 0.017 0.000 1.113 417 N CA 1.062 54.118 53.050 0.010 0.000 0.858 417 N CB 0.443 38.935 38.487 0.010 0.000 0.970 417 N HN 0.783 nan 8.380 nan 0.000 0.471 418 G N 0.377 109.192 108.800 0.026 0.000 2.143 418 G HA2 -0.257 3.704 3.960 0.003 0.000 0.249 418 G HA3 -0.257 3.704 3.960 0.003 0.000 0.249 418 G C 0.268 175.199 174.900 0.052 0.000 0.981 418 G CA 0.251 45.379 45.100 0.046 0.000 0.665 418 G HN 0.589 nan 8.290 nan 0.000 0.528 419 A N -0.435 122.405 122.820 0.034 0.000 2.351 419 A HA 0.749 5.071 4.320 0.003 0.000 0.257 419 A C 0.541 178.138 177.584 0.022 0.000 1.087 419 A CA 0.074 52.127 52.037 0.027 0.000 0.798 419 A CB 0.744 19.755 19.000 0.019 0.000 1.033 419 A HN 1.584 nan 8.150 nan 0.000 0.488 420 L N 0.902 122.128 121.223 0.006 0.000 2.426 420 L HA 0.412 4.754 4.340 0.003 0.000 0.271 420 L C 0.354 177.223 176.870 -0.002 0.000 1.169 420 L CA 0.624 55.450 54.840 -0.023 0.000 0.836 420 L CB 0.483 42.500 42.059 -0.070 0.000 1.112 420 L HN 0.670 nan 8.230 nan 0.000 0.465 421 K N 5.512 125.923 120.400 0.019 0.000 2.579 421 K HA 0.420 4.742 4.320 0.003 0.000 0.250 421 K C -0.671 175.983 176.600 0.090 0.000 0.952 421 K CA -0.626 55.685 56.287 0.040 0.000 0.857 421 K CB 0.842 33.354 32.500 0.021 0.000 1.123 421 K HN 0.702 nan 8.250 nan 0.000 0.433 422 R N 2.251 122.810 120.500 0.098 0.000 2.756 422 R HA 0.018 4.360 4.340 0.003 0.000 0.264 422 R C 0.025 176.418 176.300 0.156 0.000 1.026 422 R CA 0.041 56.239 56.100 0.164 0.000 1.121 422 R CB 0.231 30.611 30.300 0.133 0.000 0.999 422 R HN 0.561 nan 8.270 nan 0.000 0.449 423 N N 0.641 119.482 118.700 0.234 0.000 2.397 423 N HA 0.027 4.769 4.740 0.003 0.000 0.291 423 N C 0.010 175.608 175.510 0.146 0.000 1.065 423 N CA -0.357 52.774 53.050 0.135 0.000 0.884 423 N CB 1.565 40.078 38.487 0.044 0.000 1.551 423 N HN 0.411 nan 8.380 nan 0.000 0.487 424 E N 2.049 122.242 120.200 -0.011 0.000 2.204 424 E HA -0.017 4.335 4.350 0.003 0.000 0.194 424 E C 1.342 177.768 176.600 -0.290 0.000 0.989 424 E CA 1.001 57.325 56.400 -0.127 0.000 0.824 424 E CB -0.153 29.441 29.700 -0.177 0.000 0.756 424 E HN 0.805 nan 8.360 nan 0.000 0.477 425 G N 0.277 108.788 108.800 -0.482 0.000 2.598 425 G HA2 -0.180 3.782 3.960 0.003 0.000 0.215 425 G HA3 -0.180 3.782 3.960 0.003 0.000 0.215 425 G C 0.266 175.320 174.900 0.256 0.000 1.131 425 G CA -0.347 44.547 45.100 -0.344 0.000 0.785 425 G HN 0.125 nan 8.290 nan 0.000 0.539 426 F N 2.549 122.649 119.950 0.250 0.000 2.423 426 F HA 0.494 5.023 4.527 0.003 0.000 0.356 426 F C 0.767 176.671 175.800 0.174 0.000 1.170 426 F CA -1.412 56.798 58.000 0.350 0.000 1.163 426 F CB 0.404 39.732 39.000 0.546 0.000 1.318 426 F HN 0.083 nan 8.300 nan 0.000 0.569 427 M N 6.945 126.389 119.600 -0.261 0.000 3.287 427 M HA 0.360 4.842 4.480 0.003 0.000 0.336 427 M C -2.550 173.534 176.300 -0.359 0.000 1.573 427 M CA -1.389 53.757 55.300 -0.258 0.000 0.609 427 M CB 0.873 33.416 32.600 -0.094 0.000 1.421 427 M HN 0.096 nan 8.290 nan 0.000 0.476 428 P HA 0.012 nan 4.420 nan 0.000 0.233 428 P C 0.214 177.196 177.300 -0.530 0.000 1.167 428 P CA 0.896 63.627 63.100 -0.615 0.000 0.770 428 P CB -0.069 31.115 31.700 -0.860 0.000 0.837 429 F N -0.324 119.475 119.950 -0.252 0.000 2.684 429 F HA 0.323 4.851 4.527 0.003 0.000 0.298 429 F C 1.287 177.016 175.800 -0.118 0.000 1.120 429 F CA -0.145 57.758 58.000 -0.162 0.000 1.332 429 F CB -0.409 38.503 39.000 -0.147 0.000 0.986 429 F HN -0.135 nan 8.300 nan 0.000 0.524 430 S N 0.234 115.941 115.700 0.011 0.000 3.538 430 S HA -0.176 4.296 4.470 0.003 0.000 0.640 430 S C -0.734 173.877 174.600 0.018 0.000 2.388 430 S CA 0.097 58.300 58.200 0.006 0.000 2.560 430 S CB -0.587 62.636 63.200 0.040 0.000 0.328 430 S HN 0.260 nan 8.310 nan 0.000 1.791 431 L N 1.083 122.307 121.223 0.001 0.000 2.376 431 L HA 0.749 5.090 4.340 0.003 0.000 0.258 431 L C 0.869 177.750 176.870 0.019 0.000 1.013 431 L CA 0.007 54.848 54.840 0.002 0.000 0.822 431 L CB 1.755 43.794 42.059 -0.033 0.000 1.388 431 L HN 1.504 nan 8.230 nan 0.000 0.413 432 G N 0.914 109.735 108.800 0.036 0.000 2.408 432 G HA2 -0.172 3.790 3.960 0.003 0.000 0.204 432 G HA3 -0.172 3.790 3.960 0.003 0.000 0.204 432 G C 0.043 175.004 174.900 0.101 0.000 1.186 432 G CA -0.088 45.046 45.100 0.056 0.000 1.139 432 G HN 0.542 nan 8.290 nan 0.000 0.563 433 K N 0.045 120.529 120.400 0.140 0.000 2.361 433 K HA 0.177 4.499 4.320 0.003 0.000 0.196 433 K C 1.927 178.705 176.600 0.298 0.000 1.039 433 K CA 0.160 56.580 56.287 0.223 0.000 1.001 433 K CB 0.098 32.752 32.500 0.258 0.000 0.795 433 K HN 0.142 nan 8.250 nan 0.000 0.495 434 R N 0.891 121.495 120.500 0.172 0.000 2.393 434 R HA 0.223 4.565 4.340 0.003 0.000 0.244 434 R C 0.477 176.837 176.300 0.101 0.000 0.920 434 R CA -0.260 55.905 56.100 0.108 0.000 1.076 434 R CB -0.241 30.001 30.300 -0.098 0.000 1.119 434 R HN 0.211 nan 8.270 nan 0.000 0.524 435 I N 1.159 121.793 120.570 0.107 0.000 2.880 435 I HA -0.162 4.010 4.170 0.003 0.000 0.296 435 I C 0.600 176.744 176.117 0.046 0.000 1.220 435 I CA 0.179 61.519 61.300 0.067 0.000 1.435 435 I CB 0.655 38.681 38.000 0.043 0.000 1.339 435 I HN 0.165 nan 8.210 nan 0.000 0.583 436 C N 7.751 127.075 119.300 0.040 0.000 2.298 436 C HA -0.081 4.381 4.460 0.003 0.000 0.395 436 C C 1.625 176.590 174.990 -0.042 0.000 1.526 436 C CA -0.161 58.869 59.018 0.020 0.000 1.458 436 C CB -0.851 26.959 27.740 0.117 0.000 2.506 436 C HN 0.875 nan 8.230 nan 0.000 0.604 437 L N 5.528 126.741 121.223 -0.016 0.000 2.291 437 L HA 0.167 4.509 4.340 0.003 0.000 0.214 437 L C 2.363 179.198 176.870 -0.059 0.000 1.120 437 L CA 2.173 56.998 54.840 -0.025 0.000 0.799 437 L CB -0.331 41.733 42.059 0.008 0.000 0.925 437 L HN 0.979 nan 8.230 nan 0.000 0.446 438 G N -2.097 106.665 108.800 -0.063 0.000 2.777 438 G HA2 -0.138 3.824 3.960 0.003 0.000 0.211 438 G HA3 -0.138 3.824 3.960 0.003 0.000 0.211 438 G C 1.310 176.125 174.900 -0.141 0.000 1.149 438 G CA 0.233 45.297 45.100 -0.059 0.000 0.785 438 G HN 0.375 nan 8.290 nan 0.000 0.536 439 E N 0.786 120.805 120.200 -0.302 0.000 2.149 439 E HA -0.245 4.107 4.350 0.003 0.000 0.215 439 E C 2.521 178.840 176.600 -0.469 0.000 1.055 439 E CA 1.693 57.661 56.400 -0.719 0.000 0.870 439 E CB -0.588 28.622 29.700 -0.817 0.000 0.764 439 E HN 0.335 nan 8.360 nan 0.000 0.463 440 G N 0.601 109.240 108.800 -0.268 0.000 2.432 440 G HA2 -0.205 3.757 3.960 0.003 0.000 0.219 440 G HA3 -0.205 3.757 3.960 0.003 0.000 0.219 440 G C 1.630 176.475 174.900 -0.092 0.000 1.135 440 G CA 0.955 45.960 45.100 -0.159 0.000 0.767 440 G HN 0.292 nan 8.290 nan 0.000 0.550 441 I N 1.127 121.658 120.570 -0.066 0.000 2.193 441 I HA -0.057 4.115 4.170 0.003 0.000 0.240 441 I C 3.310 179.442 176.117 0.027 0.000 1.084 441 I CA 0.787 62.081 61.300 -0.012 0.000 1.365 441 I CB -0.414 37.591 38.000 0.009 0.000 1.064 441 I HN 0.211 nan 8.210 nan 0.000 0.410 442 A N 1.294 124.140 122.820 0.043 0.000 1.896 442 A HA -0.293 4.028 4.320 0.003 0.000 0.220 442 A C 2.393 180.069 177.584 0.153 0.000 1.206 442 A CA 2.183 54.308 52.037 0.146 0.000 0.647 442 A CB -0.842 18.341 19.000 0.304 0.000 0.828 442 A HN 0.348 nan 8.150 nan 0.000 0.455 443 R N -1.364 119.194 120.500 0.095 0.000 2.120 443 R HA -0.069 4.273 4.340 0.003 0.000 0.234 443 R C 2.166 178.519 176.300 0.088 0.000 1.123 443 R CA 1.672 57.832 56.100 0.100 0.000 0.975 443 R CB -0.515 29.799 30.300 0.022 0.000 0.866 443 R HN 0.591 nan 8.270 nan 0.000 0.446 444 T N 0.452 115.030 114.554 0.040 0.000 2.896 444 T HA -0.054 4.297 4.350 0.003 0.000 0.263 444 T C 1.441 176.137 174.700 -0.005 0.000 1.050 444 T CA 0.901 63.018 62.100 0.029 0.000 1.140 444 T CB 0.042 68.899 68.868 -0.018 0.000 0.877 444 T HN 0.328 nan 8.240 nan 0.000 0.457 445 E N 0.950 121.145 120.200 -0.008 0.000 2.047 445 E HA -0.026 4.326 4.350 0.003 0.000 0.191 445 E C 2.235 178.878 176.600 0.071 0.000 0.987 445 E CA 0.769 57.120 56.400 -0.082 0.000 0.799 445 E CB -0.280 29.553 29.700 0.221 0.000 0.752 445 E HN 0.395 nan 8.360 nan 0.000 0.449 446 L N 0.193 121.516 121.223 0.168 0.000 1.990 446 L HA -0.223 4.119 4.340 0.003 0.000 0.213 446 L C 2.516 179.502 176.870 0.193 0.000 1.072 446 L CA 1.468 56.416 54.840 0.181 0.000 0.755 446 L CB -0.497 41.639 42.059 0.128 0.000 0.889 446 L HN 0.146 nan 8.230 nan 0.000 0.432 447 F N 0.346 120.327 119.950 0.051 0.000 2.113 447 F HA -0.159 4.370 4.527 0.003 0.000 0.297 447 F C 2.231 178.080 175.800 0.082 0.000 1.103 447 F CA 1.402 59.449 58.000 0.079 0.000 1.248 447 F CB -0.090 38.936 39.000 0.044 0.000 0.999 447 F HN -0.149 nan 8.300 nan 0.000 0.475 448 L N -0.941 120.315 121.223 0.054 0.000 2.093 448 L HA -0.194 4.148 4.340 0.003 0.000 0.208 448 L C 2.395 179.199 176.870 -0.111 0.000 1.085 448 L CA 0.917 55.686 54.840 -0.118 0.000 0.755 448 L CB -0.850 41.104 42.059 -0.175 0.000 0.904 448 L HN 0.118 nan 8.230 nan 0.000 0.435 449 F N -0.754 119.244 119.950 0.080 0.000 2.146 449 F HA -0.198 4.331 4.527 0.003 0.000 0.298 449 F C 2.343 178.249 175.800 0.177 0.000 1.096 449 F CA 1.015 59.064 58.000 0.081 0.000 1.275 449 F CB -0.987 38.027 39.000 0.023 0.000 1.008 449 F HN -0.072 nan 8.300 nan 0.000 0.480 450 F N 1.250 121.314 119.950 0.190 0.000 2.113 450 F HA -0.187 4.342 4.527 0.003 0.000 0.297 450 F C 2.792 178.610 175.800 0.029 0.000 1.103 450 F CA 2.044 60.126 58.000 0.137 0.000 1.248 450 F CB -0.913 38.082 39.000 -0.008 0.000 0.999 450 F HN 0.042 nan 8.300 nan 0.000 0.475 451 T N -3.950 110.545 114.554 -0.097 0.000 2.951 451 T HA -0.101 4.251 4.350 0.003 0.000 0.268 451 T C 1.887 176.530 174.700 -0.094 0.000 1.073 451 T CA 1.625 63.585 62.100 -0.233 0.000 1.134 451 T CB -0.867 67.705 68.868 -0.493 0.000 0.884 451 T HN 0.194 nan 8.240 nan 0.000 0.479 452 T N 1.959 116.513 114.554 -0.000 0.000 2.812 452 T HA 0.217 4.569 4.350 0.003 0.000 0.264 452 T C 1.889 176.672 174.700 0.137 0.000 1.042 452 T CA 0.931 63.071 62.100 0.066 0.000 1.140 452 T CB -0.363 68.572 68.868 0.112 0.000 0.870 452 T HN 0.370 nan 8.240 nan 0.000 0.445 453 I N 0.926 121.624 120.570 0.214 0.000 2.127 453 I HA -0.144 4.027 4.170 0.003 0.000 0.241 453 I C 2.212 178.526 176.117 0.328 0.000 1.075 453 I CA 1.344 62.840 61.300 0.327 0.000 1.334 453 I CB -0.360 37.832 38.000 0.320 0.000 1.040 453 I HN 0.181 nan 8.210 nan 0.000 0.405 454 L N 0.171 121.485 121.223 0.152 0.000 2.275 454 L HA -0.197 4.145 4.340 0.003 0.000 0.215 454 L C 2.623 179.503 176.870 0.017 0.000 1.119 454 L CA 0.948 55.819 54.840 0.052 0.000 0.790 454 L CB -0.497 41.443 42.059 -0.200 0.000 0.919 454 L HN 0.408 nan 8.230 nan 0.000 0.443 455 Q N 0.197 119.993 119.800 -0.007 0.000 2.170 455 Q HA -0.180 4.162 4.340 0.003 0.000 0.203 455 Q C 1.427 177.374 176.000 -0.089 0.000 0.976 455 Q CA 1.346 57.123 55.803 -0.043 0.000 0.858 455 Q CB 0.219 28.932 28.738 -0.043 0.000 0.907 455 Q HN 0.534 nan 8.270 nan 0.000 0.433 456 N N -1.490 117.140 118.700 -0.118 0.000 2.227 456 N HA 0.146 4.887 4.740 0.003 0.000 0.196 456 N C -0.936 174.131 175.510 -0.738 0.000 1.142 456 N CA 0.158 52.951 53.050 -0.428 0.000 0.887 456 N CB 0.860 39.031 38.487 -0.527 0.000 1.022 456 N HN 0.013 nan 8.380 nan 0.000 0.500 457 F N 0.048 120.051 119.950 0.088 0.000 2.613 457 F HA 0.409 4.937 4.527 0.003 0.000 0.314 457 F C -0.019 175.859 175.800 0.130 0.000 1.075 457 F CA -0.756 57.330 58.000 0.142 0.000 0.945 457 F CB 1.801 40.968 39.000 0.278 0.000 1.310 457 F HN -0.391 nan 8.300 nan 0.000 0.467 458 S N 2.167 118.050 115.700 0.305 0.000 2.503 458 S HA 0.803 5.275 4.470 0.003 0.000 0.301 458 S C -0.688 173.988 174.600 0.126 0.000 1.087 458 S CA -0.702 57.605 58.200 0.177 0.000 1.042 458 S CB 1.461 64.720 63.200 0.099 0.000 1.043 458 S HN 0.527 nan 8.310 nan 0.000 0.489 459 I N -0.398 120.203 120.570 0.051 0.000 2.750 459 I HA 1.024 5.196 4.170 0.003 0.000 0.308 459 I C -0.532 175.537 176.117 -0.080 0.000 1.016 459 I CA -1.120 60.119 61.300 -0.102 0.000 1.098 459 I CB 1.840 39.788 38.000 -0.088 0.000 1.279 459 I HN 0.657 nan 8.210 nan 0.000 0.454 460 A N 2.795 125.533 122.820 -0.137 0.000 2.555 460 A HA 0.683 5.004 4.320 0.003 0.000 0.297 460 A C -0.754 176.767 177.584 -0.105 0.000 1.060 460 A CA -0.157 51.827 52.037 -0.087 0.000 0.710 460 A CB 1.375 20.337 19.000 -0.064 0.000 1.282 460 A HN 1.085 nan 8.150 nan 0.000 0.399 461 S N 2.124 117.782 115.700 -0.071 0.000 2.677 461 S HA 0.846 5.318 4.470 0.003 0.000 0.304 461 S C -1.635 172.939 174.600 -0.044 0.000 1.108 461 S CA -0.771 57.396 58.200 -0.055 0.000 0.944 461 S CB 1.503 64.685 63.200 -0.029 0.000 1.127 461 S HN 0.506 nan 8.310 nan 0.000 0.511 462 P HA 0.014 nan 4.420 nan 0.000 0.216 462 P C 0.318 177.601 177.300 -0.029 0.000 1.153 462 P CA 0.668 63.751 63.100 -0.029 0.000 0.848 462 P CB -0.493 31.192 31.700 -0.024 0.000 0.787 463 V N 3.253 123.150 119.914 -0.029 0.000 2.540 463 V HA 0.044 4.166 4.120 0.003 0.000 0.297 463 V C -2.040 174.025 176.094 -0.050 0.000 1.024 463 V CA -0.853 61.425 62.300 -0.036 0.000 1.105 463 V CB -0.420 31.381 31.823 -0.037 0.000 0.938 463 V HN 0.118 nan 8.190 nan 0.000 0.482 464 P HA 0.204 nan 4.420 nan 0.000 0.276 464 P C -1.868 175.383 177.300 -0.080 0.000 1.230 464 P CA -1.466 61.600 63.100 -0.056 0.000 0.776 464 P CB 0.274 31.948 31.700 -0.044 0.000 0.888 465 P HA -0.289 nan 4.420 nan 0.000 0.222 465 P C 1.186 178.388 177.300 -0.165 0.000 1.155 465 P CA 1.813 64.820 63.100 -0.155 0.000 0.890 465 P CB -0.253 31.356 31.700 -0.152 0.000 0.790 466 E N -0.481 119.650 120.200 -0.115 0.000 2.409 466 E HA -0.140 4.212 4.350 0.003 0.000 0.198 466 E C 0.186 176.742 176.600 -0.073 0.000 1.024 466 E CA 0.986 57.331 56.400 -0.092 0.000 0.861 466 E CB -0.648 29.016 29.700 -0.059 0.000 0.788 466 E HN 0.427 nan 8.360 nan 0.000 0.521 467 D N 1.178 121.534 120.400 -0.072 0.000 2.623 467 D HA 0.235 4.877 4.640 0.003 0.000 0.252 467 D C 0.335 176.597 176.300 -0.063 0.000 1.294 467 D CA -0.265 53.703 54.000 -0.054 0.000 0.824 467 D CB 0.423 41.200 40.800 -0.038 0.000 1.070 467 D HN 0.152 nan 8.370 nan 0.000 0.487 468 I N 1.300 121.811 120.570 -0.097 0.000 2.416 468 I HA 0.091 4.263 4.170 0.003 0.000 0.288 468 I C 0.223 176.292 176.117 -0.080 0.000 1.051 468 I CA -0.167 61.067 61.300 -0.110 0.000 1.375 468 I CB 0.801 38.695 38.000 -0.176 0.000 1.407 468 I HN -0.245 nan 8.210 nan 0.000 0.516 469 D N 6.054 126.426 120.400 -0.046 0.000 2.198 469 D HA 0.329 4.971 4.640 0.003 0.000 0.245 469 D C 0.452 176.758 176.300 0.011 0.000 1.079 469 D CA -0.291 53.705 54.000 -0.007 0.000 0.854 469 D CB 1.483 42.292 40.800 0.015 0.000 1.148 469 D HN 0.381 nan 8.370 nan 0.000 0.456 470 L N 2.042 123.295 121.223 0.050 0.000 2.607 470 L HA 0.160 4.502 4.340 0.003 0.000 0.228 470 L C 0.883 177.871 176.870 0.196 0.000 1.123 470 L CA 0.058 54.976 54.840 0.131 0.000 0.890 470 L CB 0.112 42.262 42.059 0.152 0.000 1.103 470 L HN 0.339 nan 8.230 nan 0.000 0.468 471 T N 2.759 117.385 114.554 0.121 0.000 2.793 471 T HA 0.114 4.465 4.350 0.003 0.000 0.289 471 T C -2.127 172.633 174.700 0.100 0.000 0.956 471 T CA -0.760 61.400 62.100 0.099 0.000 1.177 471 T CB 0.390 69.297 68.868 0.064 0.000 0.897 471 T HN -0.055 nan 8.240 nan 0.000 0.533 472 P HA 0.119 nan 4.420 nan 0.000 0.263 472 P C 0.859 178.197 177.300 0.064 0.000 1.175 472 P CA 0.045 63.191 63.100 0.076 0.000 0.761 472 P CB 0.463 32.182 31.700 0.032 0.000 0.794 473 R N 1.784 122.330 120.500 0.076 0.000 2.280 473 R HA -0.002 4.340 4.340 0.003 0.000 0.207 473 R C 0.837 177.153 176.300 0.026 0.000 1.043 473 R CA 1.401 57.537 56.100 0.060 0.000 1.006 473 R CB -0.848 29.503 30.300 0.085 0.000 0.885 473 R HN 0.689 nan 8.270 nan 0.000 0.467 474 E N -1.579 118.626 120.200 0.009 0.000 2.381 474 E HA 0.347 4.699 4.350 0.003 0.000 0.286 474 E C -1.860 174.723 176.600 -0.028 0.000 0.960 474 E CA -0.327 56.062 56.400 -0.019 0.000 0.793 474 E CB 2.107 31.773 29.700 -0.058 0.000 1.225 474 E HN 0.145 nan 8.360 nan 0.000 0.420 475 S N 2.241 117.938 115.700 -0.005 0.000 2.707 475 S HA 0.826 5.298 4.470 0.003 0.000 0.312 475 S C -0.431 174.187 174.600 0.029 0.000 1.116 475 S CA 0.274 58.472 58.200 -0.003 0.000 1.078 475 S CB 0.813 64.023 63.200 0.017 0.000 0.997 475 S HN 0.646 nan 8.310 nan 0.000 0.477 476 G N 2.132 110.923 108.800 -0.015 0.000 3.039 476 G HA2 0.382 4.344 3.960 0.003 0.000 0.202 476 G HA3 0.382 4.344 3.960 0.003 0.000 0.202 476 G C 0.576 175.431 174.900 -0.075 0.000 1.151 476 G CA 0.110 45.238 45.100 0.046 0.000 0.836 476 G HN 0.592 nan 8.290 nan 0.000 0.598 477 V N 0.534 120.406 119.914 -0.071 0.000 2.568 477 V HA 0.222 4.344 4.120 0.003 0.000 0.253 477 V C 1.367 177.217 176.094 -0.407 0.000 1.072 477 V CA 2.329 64.413 62.300 -0.360 0.000 1.084 477 V CB -0.345 31.480 31.823 0.002 0.000 0.676 477 V HN 0.897 nan 8.190 nan 0.000 0.469 478 G N -1.048 107.605 108.800 -0.245 0.000 2.533 478 G HA2 0.447 4.409 3.960 0.003 0.000 0.304 478 G HA3 0.447 4.409 3.960 0.003 0.000 0.304 478 G C -1.207 173.583 174.900 -0.182 0.000 1.263 478 G CA -0.698 44.307 45.100 -0.157 0.000 0.964 478 G HN 0.146 nan 8.290 nan 0.000 0.479 479 N N -0.439 118.198 118.700 -0.105 0.000 2.456 479 N HA 0.489 5.231 4.740 0.003 0.000 0.288 479 N C -0.737 174.753 175.510 -0.034 0.000 1.059 479 N CA -0.232 52.767 53.050 -0.085 0.000 0.946 479 N CB 2.107 40.538 38.487 -0.094 0.000 1.150 479 N HN 0.155 nan 8.380 nan 0.000 0.479 480 V N 4.666 124.564 119.914 -0.026 0.000 2.407 480 V HA 0.360 4.482 4.120 0.003 0.000 0.291 480 V C -2.024 174.138 176.094 0.114 0.000 1.018 480 V CA -1.664 60.675 62.300 0.066 0.000 0.842 480 V CB 1.933 33.770 31.823 0.022 0.000 0.996 480 V HN 0.562 nan 8.190 nan 0.000 0.426 481 P HA 0.219 nan 4.420 nan 0.000 0.269 481 P C -2.602 174.845 177.300 0.245 0.000 1.215 481 P CA -1.186 62.069 63.100 0.258 0.000 0.780 481 P CB 0.134 32.081 31.700 0.411 0.000 0.898 482 P HA 0.056 nan 4.420 nan 0.000 0.272 482 P C 0.020 177.461 177.300 0.234 0.000 1.240 482 P CA 0.004 63.218 63.100 0.191 0.000 0.791 482 P CB 0.368 32.162 31.700 0.156 0.000 0.978 483 S N 0.561 116.352 115.700 0.152 0.000 2.579 483 S HA 0.369 4.841 4.470 0.003 0.000 0.275 483 S C -0.257 174.432 174.600 0.147 0.000 1.345 483 S CA 0.183 58.425 58.200 0.069 0.000 1.031 483 S CB -0.465 62.737 63.200 0.004 0.000 0.892 483 S HN 0.530 nan 8.310 nan 0.000 0.529 484 Y N -0.836 119.442 120.300 -0.037 0.000 2.609 484 Y HA 0.577 5.129 4.550 0.003 0.000 0.336 484 Y C -0.835 175.013 175.900 -0.087 0.000 1.129 484 Y CA -1.397 56.673 58.100 -0.050 0.000 1.040 484 Y CB 0.518 38.955 38.460 -0.039 0.000 1.310 484 Y HN 0.287 nan 8.280 nan 0.000 0.460 485 Q N 2.607 122.428 119.800 0.036 0.000 2.260 485 Q HA 0.670 5.012 4.340 0.003 0.000 0.238 485 Q C -0.963 175.037 176.000 0.000 0.000 0.948 485 Q CA -0.592 55.173 55.803 -0.063 0.000 0.895 485 Q CB 2.612 31.324 28.738 -0.043 0.000 1.218 485 Q HN 0.922 nan 8.270 nan 0.000 0.470 486 I N -0.264 120.236 120.570 -0.117 0.000 2.842 486 I HA 0.409 4.581 4.170 0.003 0.000 0.296 486 I C -1.793 174.138 176.117 -0.310 0.000 1.538 486 I CA -0.625 60.562 61.300 -0.189 0.000 0.994 486 I CB 1.930 39.812 38.000 -0.197 0.000 1.372 486 I HN 0.728 nan 8.210 nan 0.000 0.478 487 R N 4.245 124.498 120.500 -0.412 0.000 2.795 487 R HA 0.655 4.996 4.340 0.003 0.000 0.275 487 R C -2.253 173.729 176.300 -0.531 0.000 0.981 487 R CA -0.629 55.282 56.100 -0.316 0.000 0.917 487 R CB 1.590 31.805 30.300 -0.141 0.000 1.202 487 R HN 0.417 nan 8.270 nan 0.000 0.469 488 F N 2.645 122.525 119.950 -0.117 0.000 2.430 488 F HA 0.402 4.931 4.527 0.003 0.000 0.362 488 F C -0.551 175.284 175.800 0.059 0.000 1.103 488 F CA -0.706 57.216 58.000 -0.129 0.000 1.045 488 F CB 1.633 40.316 39.000 -0.528 0.000 1.276 488 F HN 0.205 nan 8.300 nan 0.000 0.444 489 L N 3.864 125.270 121.223 0.305 0.000 2.260 489 L HA 0.566 4.908 4.340 0.003 0.000 0.289 489 L C 0.605 177.705 176.870 0.382 0.000 1.057 489 L CA -0.863 54.150 54.840 0.289 0.000 0.811 489 L CB 1.054 43.196 42.059 0.139 0.000 1.184 489 L HN 0.665 nan 8.230 nan 0.000 0.429 490 A N 5.328 128.354 122.820 0.344 0.000 2.566 490 A HA 0.180 4.501 4.320 0.003 0.000 0.245 490 A C 0.326 177.895 177.584 -0.026 0.000 1.056 490 A CA 0.084 52.149 52.037 0.048 0.000 0.757 490 A CB -0.064 18.965 19.000 0.048 0.000 0.979 490 A HN 0.762 nan 8.150 nan 0.000 0.508 491 R N 0.852 121.270 120.500 -0.136 0.000 2.459 491 R HA 0.643 4.985 4.340 0.003 0.000 0.281 491 R C 0.494 176.733 176.300 -0.101 0.000 1.050 491 R CA 0.434 56.479 56.100 -0.090 0.000 1.055 491 R CB 0.735 30.973 30.300 -0.104 0.000 1.045 491 R HN 0.982 nan 8.270 nan 0.000 0.495 492 H N 0.000 119.032 119.070 -0.064 0.000 2.539 492 H HA 0.000 4.558 4.556 0.003 0.000 0.296 492 H CA 0.000 56.012 56.048 -0.060 0.000 1.023 492 H CB 0.000 29.741 29.762 -0.036 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496