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 3mvr_1_B 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 IDLTPXXSGV 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 3.961 3.960 0.002 0.000 0.244 28 G C 0.000 174.967 174.900 0.112 0.000 0.946 28 G CA 0.000 45.190 45.100 0.150 0.000 0.502 29 K N 0.242 120.710 120.400 0.113 0.000 2.354 29 K HA 0.279 4.600 4.320 0.002 0.000 0.194 29 K C 1.015 177.732 176.600 0.195 0.000 1.045 29 K CA -0.211 56.169 56.287 0.155 0.000 1.026 29 K CB 0.750 33.318 32.500 0.113 0.000 0.866 29 K HN 0.340 nan 8.250 nan 0.000 0.530 30 L N 2.763 124.050 121.223 0.107 0.000 2.467 30 L HA 0.097 4.438 4.340 0.002 0.000 0.270 30 L C -2.145 174.641 176.870 -0.139 0.000 1.205 30 L CA -1.882 52.971 54.840 0.021 0.000 0.828 30 L CB 0.002 42.057 42.059 -0.005 0.000 1.101 30 L HN -0.177 nan 8.230 nan 0.000 0.479 31 P HA 0.035 nan 4.420 nan 0.000 0.269 31 P C -2.428 174.635 177.300 -0.394 0.000 1.217 31 P CA -0.767 61.768 63.100 -0.942 0.000 0.783 31 P CB -0.210 31.111 31.700 -0.632 0.000 0.898 32 P HA 0.248 nan 4.420 nan 0.000 0.270 32 P C -0.077 177.140 177.300 -0.138 0.000 1.223 32 P CA 0.414 63.488 63.100 -0.044 0.000 0.785 32 P CB 0.612 32.396 31.700 0.139 0.000 0.923 33 G N 0.507 109.118 108.800 -0.316 0.000 2.349 33 G HA2 0.420 4.381 3.960 0.002 0.000 0.294 33 G HA3 0.420 4.381 3.960 0.002 0.000 0.294 33 G C -3.303 171.187 174.900 -0.685 0.000 1.380 33 G CA -0.896 43.724 45.100 -0.800 0.000 0.811 33 G HN 0.362 nan 8.290 nan 0.000 0.519 34 P HA 0.281 nan 4.420 nan 0.000 0.268 34 P C 0.139 177.394 177.300 -0.076 0.000 1.205 34 P CA 0.099 63.103 63.100 -0.160 0.000 0.771 34 P CB 1.348 33.007 31.700 -0.068 0.000 0.858 35 S N 3.692 119.373 115.700 -0.031 0.000 2.488 35 S HA 0.246 4.717 4.470 0.002 0.000 0.278 35 S C -1.917 172.617 174.600 -0.110 0.000 1.259 35 S CA -1.108 57.049 58.200 -0.071 0.000 1.061 35 S CB -0.599 62.577 63.200 -0.039 0.000 0.910 35 S HN 0.286 nan 8.310 nan 0.000 0.491 36 P HA 0.334 nan 4.420 nan 0.000 0.281 36 P C -0.966 176.225 177.300 -0.182 0.000 1.249 36 P CA -0.758 62.192 63.100 -0.249 0.000 0.810 36 P CB 0.622 31.954 31.700 -0.613 0.000 1.008 37 L N 3.399 124.559 121.223 -0.106 0.000 2.399 37 L HA 0.445 4.786 4.340 0.002 0.000 0.266 37 L C -1.994 174.829 176.870 -0.078 0.000 1.114 37 L CA -1.682 53.113 54.840 -0.075 0.000 0.804 37 L CB -0.516 41.522 42.059 -0.036 0.000 1.146 37 L HN 0.295 nan 8.230 nan 0.000 0.451 38 P HA 0.299 nan 4.420 nan 0.000 0.275 38 P C 0.541 177.835 177.300 -0.011 0.000 1.228 38 P CA -0.093 62.982 63.100 -0.042 0.000 0.786 38 P CB 1.087 32.765 31.700 -0.037 0.000 0.927 39 V N 1.040 120.966 119.914 0.020 0.000 0.508 39 V HA -0.343 3.778 4.120 0.002 0.000 0.092 39 V C 1.829 178.011 176.094 0.147 0.000 2.282 39 V CA 2.159 64.492 62.300 0.055 0.000 3.591 39 V CB -1.969 29.851 31.823 -0.004 0.000 0.878 39 V HN 0.521 nan 8.190 nan 0.000 0.919 40 L N 0.662 121.952 121.223 0.111 0.000 2.492 40 L HA 0.415 4.756 4.340 0.002 0.000 0.223 40 L C 1.828 178.818 176.870 0.200 0.000 1.132 40 L CA 1.039 56.005 54.840 0.211 0.000 0.850 40 L CB -0.604 41.500 42.059 0.075 0.000 0.966 40 L HN 0.903 nan 8.230 nan 0.000 0.454 41 G N 1.382 110.243 108.800 0.102 0.000 2.611 41 G HA2 -0.421 3.540 3.960 0.002 0.000 0.301 41 G HA3 -0.421 3.540 3.960 0.002 0.000 0.301 41 G C 0.311 175.245 174.900 0.057 0.000 1.233 41 G CA 0.719 45.867 45.100 0.081 0.000 0.993 41 G HN 0.489 nan 8.290 nan 0.000 0.553 42 N N 0.744 119.499 118.700 0.091 0.000 2.327 42 N HA 0.357 5.098 4.740 0.002 0.000 0.231 42 N C 1.770 177.318 175.510 0.065 0.000 1.130 42 N CA 0.042 53.131 53.050 0.066 0.000 0.845 42 N CB 0.331 38.866 38.487 0.080 0.000 1.073 42 N HN 0.467 nan 8.380 nan 0.000 0.496 43 L N 0.582 121.862 121.223 0.095 0.000 2.034 43 L HA -0.210 4.131 4.340 0.002 0.000 0.217 43 L C 1.439 178.357 176.870 0.080 0.000 1.077 43 L CA 1.862 56.775 54.840 0.121 0.000 0.769 43 L CB -0.288 41.898 42.059 0.212 0.000 0.890 43 L HN 0.349 nan 8.230 nan 0.000 0.435 44 L N -1.362 119.897 121.223 0.059 0.000 2.376 44 L HA -0.134 4.207 4.340 0.002 0.000 0.219 44 L C 1.824 178.718 176.870 0.039 0.000 1.133 44 L CA 0.427 55.292 54.840 0.042 0.000 0.816 44 L CB -0.397 41.678 42.059 0.027 0.000 0.933 44 L HN 0.363 nan 8.230 nan 0.000 0.449 45 Q N -1.129 118.696 119.800 0.042 0.000 2.319 45 Q HA 0.194 4.535 4.340 0.002 0.000 0.202 45 Q C 0.255 176.278 176.000 0.039 0.000 0.896 45 Q CA 0.270 56.098 55.803 0.042 0.000 0.942 45 Q CB 0.361 29.128 28.738 0.048 0.000 1.083 45 Q HN 0.242 nan 8.270 nan 0.000 0.510 46 M N 0.295 119.917 119.600 0.037 0.000 2.227 46 M HA 0.211 4.692 4.480 0.002 0.000 0.316 46 M C -0.023 176.294 176.300 0.028 0.000 1.144 46 M CA -0.214 55.098 55.300 0.021 0.000 1.121 46 M CB 0.489 33.095 32.600 0.010 0.000 1.440 46 M HN -0.012 nan 8.290 nan 0.000 0.473 47 D N 0.756 121.165 120.400 0.015 0.000 2.217 47 D HA 0.238 4.879 4.640 0.002 0.000 0.243 47 D C 0.673 177.014 176.300 0.068 0.000 1.054 47 D CA -0.343 53.675 54.000 0.031 0.000 0.838 47 D CB 1.443 42.253 40.800 0.016 0.000 1.162 47 D HN 0.473 nan 8.370 nan 0.000 0.472 48 R N 3.089 123.638 120.500 0.083 0.000 2.285 48 R HA -0.017 4.324 4.340 0.002 0.000 0.213 48 R C 1.450 177.814 176.300 0.106 0.000 1.068 48 R CA 0.850 57.031 56.100 0.134 0.000 1.004 48 R CB -0.344 29.987 30.300 0.050 0.000 0.873 48 R HN 0.260 nan 8.270 nan 0.000 0.467 49 K N 0.509 120.946 120.400 0.062 0.000 2.280 49 K HA 0.042 4.363 4.320 0.002 0.000 0.202 49 K C 0.293 176.968 176.600 0.125 0.000 1.047 49 K CA 1.177 57.498 56.287 0.056 0.000 0.942 49 K CB -0.112 32.409 32.500 0.035 0.000 0.739 49 K HN 0.530 nan 8.250 nan 0.000 0.457 50 G N -0.898 107.989 108.800 0.144 0.000 2.353 50 G HA2 -0.128 3.833 3.960 0.002 0.000 0.424 50 G HA3 -0.128 3.833 3.960 0.002 0.000 0.424 50 G C 0.220 175.047 174.900 -0.122 0.000 1.320 50 G CA -0.723 44.438 45.100 0.102 0.000 0.995 50 G HN 0.007 nan 8.290 nan 0.000 0.580 51 L N -0.213 120.835 121.223 -0.292 0.000 2.012 51 L HA -0.096 4.245 4.340 0.002 0.000 0.210 51 L C 2.997 179.293 176.870 -0.957 0.000 1.073 51 L CA 2.022 56.374 54.840 -0.813 0.000 0.748 51 L CB -0.419 41.003 42.059 -1.062 0.000 0.891 51 L HN 0.572 nan 8.230 nan 0.000 0.431 52 L N 0.145 121.133 121.223 -0.392 0.000 2.017 52 L HA -0.229 4.112 4.340 0.002 0.000 0.208 52 L C 2.722 179.591 176.870 -0.002 0.000 1.073 52 L CA 1.774 56.599 54.840 -0.025 0.000 0.745 52 L CB -0.503 41.724 42.059 0.280 0.000 0.894 52 L HN 0.089 nan 8.230 nan 0.000 0.432 53 R N -0.871 119.618 120.500 -0.017 0.000 2.081 53 R HA -0.121 4.219 4.340 0.002 0.000 0.235 53 R C 2.298 178.595 176.300 -0.004 0.000 1.131 53 R CA 1.679 57.788 56.100 0.014 0.000 0.960 53 R CB -0.437 29.874 30.300 0.020 0.000 0.856 53 R HN 0.454 nan 8.270 nan 0.000 0.436 54 S N -0.004 115.633 115.700 -0.105 0.000 2.370 54 S HA -0.124 4.347 4.470 0.002 0.000 0.226 54 S C 1.496 176.152 174.600 0.093 0.000 1.033 54 S CA 1.343 59.493 58.200 -0.084 0.000 1.011 54 S CB -0.344 62.716 63.200 -0.233 0.000 0.852 54 S HN 0.237 nan 8.310 nan 0.000 0.457 55 F N 1.517 121.506 119.950 0.066 0.000 2.113 55 F HA 0.083 4.611 4.527 0.001 0.000 0.297 55 F C 2.072 178.000 175.800 0.214 0.000 1.103 55 F CA 0.177 58.303 58.000 0.211 0.000 1.248 55 F CB -1.246 37.856 39.000 0.171 0.000 0.999 55 F HN 0.134 nan 8.300 nan 0.000 0.475 56 L N -0.535 120.887 121.223 0.333 0.000 2.131 56 L HA -0.173 4.168 4.340 0.002 0.000 0.210 56 L C 2.574 179.520 176.870 0.127 0.000 1.092 56 L CA 1.149 56.123 54.840 0.222 0.000 0.759 56 L CB -0.561 41.596 42.059 0.163 0.000 0.903 56 L HN 0.067 nan 8.230 nan 0.000 0.435 57 R N 0.038 120.590 120.500 0.088 0.000 2.075 57 R HA -0.086 4.255 4.340 0.002 0.000 0.232 57 R C 2.309 178.596 176.300 -0.021 0.000 1.126 57 R CA 1.031 57.149 56.100 0.031 0.000 0.963 57 R CB -0.386 29.929 30.300 0.024 0.000 0.858 57 R HN 0.305 nan 8.270 nan 0.000 0.435 58 L N 0.459 121.640 121.223 -0.070 0.000 2.083 58 L HA -0.167 4.174 4.340 0.002 0.000 0.209 58 L C 2.839 179.444 176.870 -0.442 0.000 1.083 58 L CA 1.168 55.833 54.840 -0.292 0.000 0.752 58 L CB -0.412 41.288 42.059 -0.597 0.000 0.899 58 L HN 0.191 nan 8.230 nan 0.000 0.433 59 R N 0.569 120.924 120.500 -0.242 0.000 2.083 59 R HA -0.220 4.121 4.340 0.002 0.000 0.237 59 R C 2.080 178.388 176.300 0.012 0.000 1.137 59 R CA 1.917 58.034 56.100 0.028 0.000 0.951 59 R CB -0.146 30.300 30.300 0.244 0.000 0.851 59 R HN 0.435 nan 8.270 nan 0.000 0.434 60 E N 0.032 120.230 120.200 -0.005 0.000 2.085 60 E HA -0.234 4.117 4.350 0.002 0.000 0.194 60 E C 2.025 178.581 176.600 -0.072 0.000 0.994 60 E CA 1.521 57.912 56.400 -0.015 0.000 0.801 60 E CB 0.017 29.710 29.700 -0.011 0.000 0.743 60 E HN 0.287 nan 8.360 nan 0.000 0.453 61 K N -0.169 120.146 120.400 -0.142 0.000 2.005 61 K HA -0.090 4.231 4.320 0.002 0.000 0.206 61 K C 1.486 177.860 176.600 -0.377 0.000 1.044 61 K CA 1.101 57.201 56.287 -0.312 0.000 0.942 61 K CB 0.036 32.259 32.500 -0.462 0.000 0.727 61 K HN 0.100 nan 8.250 nan 0.000 0.439 62 Y N -0.103 120.112 120.300 -0.141 0.000 2.500 62 Y HA 0.241 4.792 4.550 0.002 0.000 0.270 62 Y C 0.942 176.862 175.900 0.033 0.000 1.134 62 Y CA 0.342 58.395 58.100 -0.079 0.000 1.293 62 Y CB 1.072 39.442 38.460 -0.151 0.000 1.063 62 Y HN 0.390 nan 8.280 nan 0.000 0.534 63 G N 0.214 109.113 108.800 0.165 0.000 2.610 63 G HA2 -0.235 3.726 3.960 0.002 0.000 0.304 63 G HA3 -0.235 3.726 3.960 0.002 0.000 0.304 63 G C -0.280 174.805 174.900 0.308 0.000 1.309 63 G CA -0.207 45.011 45.100 0.197 0.000 0.906 63 G HN 0.103 nan 8.290 nan 0.000 0.521 64 D N -0.917 119.627 120.400 0.240 0.000 2.269 64 D HA 0.138 4.779 4.640 0.002 0.000 0.208 64 D C 1.161 177.577 176.300 0.194 0.000 0.963 64 D CA 1.601 55.734 54.000 0.221 0.000 0.864 64 D CB 0.264 41.155 40.800 0.152 0.000 0.936 64 D HN 0.458 nan 8.370 nan 0.000 0.505 65 V N 1.651 121.694 119.914 0.216 0.000 2.482 65 V HA 0.432 4.553 4.120 0.002 0.000 0.295 65 V C -0.556 175.599 176.094 0.102 0.000 1.026 65 V CA -0.952 61.408 62.300 0.101 0.000 0.856 65 V CB 1.218 33.177 31.823 0.227 0.000 1.001 65 V HN 0.026 nan 8.190 nan 0.000 0.424 66 F N 1.286 121.182 119.950 -0.089 0.000 2.662 66 F HA 0.861 5.388 4.527 0.001 0.000 0.312 66 F C -0.480 175.185 175.800 -0.224 0.000 1.113 66 F CA -0.808 57.094 58.000 -0.164 0.000 0.951 66 F CB 1.829 40.765 39.000 -0.106 0.000 1.344 66 F HN 0.203 nan 8.300 nan 0.000 0.462 67 T N 2.150 116.702 114.554 -0.003 0.000 2.797 67 T HA 0.607 4.957 4.350 0.002 0.000 0.279 67 T C -1.294 173.406 174.700 -0.000 0.000 0.991 67 T CA -0.648 61.379 62.100 -0.122 0.000 0.979 67 T CB 1.531 70.318 68.868 -0.136 0.000 0.943 67 T HN 0.746 nan 8.240 nan 0.000 0.444 68 V N 4.286 124.145 119.914 -0.091 0.000 2.656 68 V HA 0.559 4.680 4.120 0.002 0.000 0.307 68 V C -1.730 174.289 176.094 -0.125 0.000 1.051 68 V CA -0.880 61.427 62.300 0.012 0.000 0.893 68 V CB 1.544 33.446 31.823 0.131 0.000 0.999 68 V HN 0.859 nan 8.190 nan 0.000 0.426 69 Y N 6.391 126.649 120.300 -0.070 0.000 2.425 69 Y HA 0.514 5.064 4.550 0.001 0.000 0.347 69 Y C 0.316 176.159 175.900 -0.095 0.000 0.976 69 Y CA -0.483 57.571 58.100 -0.077 0.000 1.190 69 Y CB 1.143 39.570 38.460 -0.055 0.000 1.136 69 Y HN 0.430 nan 8.280 nan 0.000 0.517 70 L N 4.748 125.932 121.223 -0.064 0.000 2.270 70 L HA 0.462 4.803 4.340 0.002 0.000 0.286 70 L C 1.097 177.860 176.870 -0.180 0.000 1.059 70 L CA -0.314 54.434 54.840 -0.152 0.000 0.839 70 L CB 0.133 42.082 42.059 -0.183 0.000 1.221 70 L HN 0.968 nan 8.230 nan 0.000 0.431 71 G N 2.652 111.308 108.800 -0.240 0.000 2.611 71 G HA2 -0.362 3.599 3.960 0.002 0.000 0.301 71 G HA3 -0.362 3.599 3.960 0.002 0.000 0.301 71 G C 0.881 175.818 174.900 0.061 0.000 1.233 71 G CA 0.438 45.477 45.100 -0.102 0.000 0.993 71 G HN 0.528 nan 8.290 nan 0.000 0.553 72 S N 0.880 116.621 115.700 0.069 0.000 2.453 72 S HA 0.042 4.513 4.470 0.002 0.000 0.231 72 S C 1.331 176.021 174.600 0.149 0.000 1.005 72 S CA 1.306 59.578 58.200 0.119 0.000 0.949 72 S CB -0.097 63.149 63.200 0.077 0.000 0.774 72 S HN 0.543 nan 8.310 nan 0.000 0.510 73 R N 2.381 122.901 120.500 0.034 0.000 2.267 73 R HA 0.233 4.574 4.340 0.002 0.000 0.319 73 R C -2.717 173.424 176.300 -0.265 0.000 1.067 73 R CA -1.632 54.427 56.100 -0.069 0.000 0.936 73 R CB 0.332 30.584 30.300 -0.079 0.000 1.006 73 R HN 0.152 nan 8.270 nan 0.000 0.452 74 P HA 0.066 nan 4.420 nan 0.000 0.279 74 P C -0.756 176.260 177.300 -0.473 0.000 1.239 74 P CA -0.340 62.201 63.100 -0.931 0.000 0.789 74 P CB 1.409 32.546 31.700 -0.938 0.000 0.933 75 V N 1.591 121.231 119.914 -0.457 0.000 2.709 75 V HA 0.509 4.630 4.120 0.002 0.000 0.308 75 V C -0.726 175.141 176.094 -0.379 0.000 1.062 75 V CA -0.993 61.100 62.300 -0.346 0.000 0.901 75 V CB 2.070 33.648 31.823 -0.408 0.000 1.003 75 V HN 0.191 nan 8.190 nan 0.000 0.425 76 V N 5.345 125.085 119.914 -0.290 0.000 2.432 76 V HA 0.456 4.577 4.120 0.002 0.000 0.275 76 V C 0.150 175.985 176.094 -0.431 0.000 1.043 76 V CA -0.291 61.816 62.300 -0.321 0.000 0.925 76 V CB 1.491 33.207 31.823 -0.178 0.000 0.985 76 V HN 0.805 nan 8.190 nan 0.000 0.466 77 V N 6.949 126.423 119.914 -0.734 0.000 2.394 77 V HA 0.442 4.563 4.120 0.002 0.000 0.282 77 V C -0.102 175.596 176.094 -0.659 0.000 1.031 77 V CA -0.516 61.239 62.300 -0.909 0.000 0.881 77 V CB 1.561 32.402 31.823 -1.636 0.000 0.982 77 V HN 0.614 nan 8.190 nan 0.000 0.451 78 L N 4.753 125.752 121.223 -0.373 0.000 2.276 78 L HA 0.534 4.875 4.340 0.002 0.000 0.286 78 L C -0.559 176.247 176.870 -0.107 0.000 1.024 78 L CA -0.140 54.580 54.840 -0.201 0.000 0.826 78 L CB 1.280 43.218 42.059 -0.201 0.000 1.211 78 L HN 0.599 nan 8.230 nan 0.000 0.422 79 C N 2.299 121.588 119.300 -0.019 0.000 2.435 79 C HA 0.917 5.378 4.460 0.002 0.000 0.333 79 C C 0.761 175.809 174.990 0.097 0.000 1.202 79 C CA -0.486 58.578 59.018 0.076 0.000 1.830 79 C CB 1.086 28.924 27.740 0.162 0.000 2.326 79 C HN 1.058 nan 8.230 nan 0.000 0.507 80 G N 2.546 111.414 108.800 0.113 0.000 2.722 80 G HA2 -0.114 3.847 3.960 0.002 0.000 0.686 80 G HA3 -0.114 3.847 3.960 0.002 0.000 0.686 80 G C 0.276 175.236 174.900 0.100 0.000 1.282 80 G CA -0.148 45.026 45.100 0.122 0.000 0.817 80 G HN 0.811 nan 8.290 nan 0.000 0.605 81 T N 0.851 115.482 114.554 0.127 0.000 2.665 81 T HA -0.155 4.196 4.350 0.002 0.000 0.268 81 T C 1.963 176.705 174.700 0.070 0.000 1.035 81 T CA 2.249 64.406 62.100 0.095 0.000 1.151 81 T CB -0.323 68.641 68.868 0.158 0.000 0.862 81 T HN 0.635 nan 8.240 nan 0.000 0.438 82 D N 1.272 121.729 120.400 0.096 0.000 2.084 82 D HA -0.025 4.616 4.640 0.002 0.000 0.194 82 D C 2.436 178.774 176.300 0.064 0.000 0.990 82 D CA 1.428 55.472 54.000 0.073 0.000 0.826 82 D CB -0.676 40.165 40.800 0.069 0.000 0.971 82 D HN 0.406 nan 8.370 nan 0.000 0.453 83 A N 0.567 123.436 122.820 0.081 0.000 1.940 83 A HA -0.151 4.170 4.320 0.002 0.000 0.219 83 A C 2.407 180.026 177.584 0.058 0.000 1.176 83 A CA 1.059 53.178 52.037 0.138 0.000 0.631 83 A CB -0.747 18.341 19.000 0.148 0.000 0.814 83 A HN 0.223 nan 8.150 nan 0.000 0.446 84 I N -1.114 119.443 120.570 -0.021 0.000 2.252 84 I HA -0.233 3.938 4.170 0.002 0.000 0.245 84 I C 2.759 178.797 176.117 -0.133 0.000 1.102 84 I CA 1.249 62.476 61.300 -0.121 0.000 1.385 84 I CB -0.306 37.641 38.000 -0.089 0.000 1.064 84 I HN 0.268 nan 8.210 nan 0.000 0.414 85 R N 0.581 121.047 120.500 -0.056 0.000 2.090 85 R HA -0.120 4.221 4.340 0.002 0.000 0.228 85 R C 2.124 178.408 176.300 -0.026 0.000 1.110 85 R CA 1.086 57.161 56.100 -0.042 0.000 0.973 85 R CB -0.237 30.056 30.300 -0.012 0.000 0.869 85 R HN 0.420 nan 8.270 nan 0.000 0.440 86 E N 0.489 120.702 120.200 0.021 0.000 2.110 86 E HA -0.184 4.167 4.350 0.002 0.000 0.193 86 E C 1.894 178.552 176.600 0.097 0.000 0.988 86 E CA 1.268 57.729 56.400 0.102 0.000 0.804 86 E CB 0.003 29.802 29.700 0.164 0.000 0.745 86 E HN 0.358 nan 8.360 nan 0.000 0.458 87 A N 0.908 123.610 122.820 -0.196 0.000 1.835 87 A HA -0.051 4.270 4.320 0.002 0.000 0.213 87 A C 2.108 179.361 177.584 -0.552 0.000 1.210 87 A CA 0.659 52.120 52.037 -0.959 0.000 0.605 87 A CB -0.584 17.235 19.000 -1.970 0.000 0.860 87 A HN 0.103 nan 8.150 nan 0.000 0.447 88 L N -0.274 120.710 121.223 -0.399 0.000 2.217 88 L HA -0.083 4.258 4.340 0.002 0.000 0.211 88 L C 2.151 179.009 176.870 -0.020 0.000 1.107 88 L CA 0.738 55.479 54.840 -0.164 0.000 0.783 88 L CB -0.387 41.565 42.059 -0.178 0.000 0.919 88 L HN 0.266 nan 8.230 nan 0.000 0.442 89 V N -1.243 118.658 119.914 -0.022 0.000 2.627 89 V HA -0.046 4.075 4.120 0.002 0.000 0.239 89 V C 1.748 177.876 176.094 0.057 0.000 1.077 89 V CA 0.984 63.301 62.300 0.028 0.000 1.103 89 V CB -0.121 31.712 31.823 0.018 0.000 0.802 89 V HN 0.231 nan 8.190 nan 0.000 0.482 90 D N 0.170 120.606 120.400 0.060 0.000 2.183 90 D HA -0.056 4.585 4.640 0.002 0.000 0.203 90 D C 1.366 177.746 176.300 0.134 0.000 0.969 90 D CA 0.957 55.011 54.000 0.090 0.000 0.842 90 D CB 0.032 40.887 40.800 0.092 0.000 0.957 90 D HN 0.443 nan 8.370 nan 0.000 0.484 91 Q N -0.124 119.788 119.800 0.187 0.000 2.628 91 Q HA 0.479 4.820 4.340 0.002 0.000 0.397 91 Q C 0.665 176.834 176.000 0.282 0.000 0.916 91 Q CA -0.369 55.591 55.803 0.261 0.000 1.071 91 Q CB 1.485 30.466 28.738 0.405 0.000 1.367 91 Q HN 0.043 nan 8.270 nan 0.000 0.404 92 A N 0.715 123.644 122.820 0.182 0.000 1.883 92 A HA -0.271 4.049 4.320 0.002 0.000 0.217 92 A C 1.962 179.655 177.584 0.182 0.000 1.186 92 A CA 2.049 54.188 52.037 0.170 0.000 0.624 92 A CB -0.068 19.010 19.000 0.129 0.000 0.822 92 A HN 0.473 nan 8.150 nan 0.000 0.444 93 E N 0.097 120.385 120.200 0.147 0.000 2.047 93 E HA -0.035 4.316 4.350 0.002 0.000 0.191 93 E C 2.039 178.685 176.600 0.078 0.000 0.987 93 E CA 1.627 58.100 56.400 0.122 0.000 0.799 93 E CB -0.526 29.231 29.700 0.096 0.000 0.752 93 E HN 0.456 nan 8.360 nan 0.000 0.449 94 A N -0.472 122.377 122.820 0.048 0.000 1.940 94 A HA -0.127 4.194 4.320 0.002 0.000 0.219 94 A C 1.624 179.056 177.584 -0.253 0.000 1.176 94 A CA 1.315 53.282 52.037 -0.117 0.000 0.631 94 A CB -0.679 18.216 19.000 -0.175 0.000 0.814 94 A HN 0.358 nan 8.150 nan 0.000 0.446 95 F N 0.215 120.158 119.950 -0.012 0.000 2.645 95 F HA 0.115 4.643 4.527 0.002 0.000 0.300 95 F C 1.899 177.742 175.800 0.071 0.000 1.115 95 F CA 0.540 58.529 58.000 -0.018 0.000 1.355 95 F CB 0.325 39.267 39.000 -0.096 0.000 1.026 95 F HN 0.250 nan 8.300 nan 0.000 0.536 96 S N -1.385 114.380 115.700 0.109 0.000 2.605 96 S HA 0.254 4.725 4.470 0.002 0.000 0.217 96 S C 1.133 175.549 174.600 -0.308 0.000 0.958 96 S CA -0.138 58.044 58.200 -0.030 0.000 0.919 96 S CB -0.417 62.825 63.200 0.071 0.000 0.780 96 S HN 0.168 nan 8.310 nan 0.000 0.507 97 G N 1.237 109.916 108.800 -0.200 0.000 2.572 97 G HA2 0.515 4.476 3.960 0.002 0.000 0.261 97 G HA3 0.515 4.476 3.960 0.002 0.000 0.261 97 G C -0.565 174.103 174.900 -0.386 0.000 1.197 97 G CA -0.877 44.058 45.100 -0.275 0.000 0.870 97 G HN 0.455 nan 8.290 nan 0.000 0.548 98 R N -0.088 120.188 120.500 -0.373 0.000 2.494 98 R HA 0.595 4.936 4.340 0.002 0.000 0.305 98 R C 0.329 176.541 176.300 -0.147 0.000 0.959 98 R CA -0.147 55.739 56.100 -0.357 0.000 0.864 98 R CB 1.219 31.265 30.300 -0.424 0.000 1.159 98 R HN 0.706 nan 8.270 nan 0.000 0.446 99 G N 3.110 111.859 108.800 -0.084 0.000 2.451 99 G HA2 0.332 4.293 3.960 0.002 0.000 0.303 99 G HA3 0.332 4.293 3.960 0.002 0.000 0.303 99 G C -0.932 174.026 174.900 0.097 0.000 1.166 99 G CA -0.813 44.293 45.100 0.010 0.000 0.884 99 G HN 0.707 nan 8.290 nan 0.000 0.514 100 K N -0.356 120.091 120.400 0.078 0.000 2.090 100 K HA 0.575 4.896 4.320 0.002 0.000 0.249 100 K C -0.802 175.823 176.600 0.043 0.000 0.995 100 K CA -0.728 55.582 56.287 0.039 0.000 0.914 100 K CB 1.804 34.282 32.500 -0.037 0.000 1.057 100 K HN 0.279 nan 8.250 nan 0.000 0.462 101 I N 1.960 122.493 120.570 -0.062 0.000 2.355 101 I HA 0.125 4.296 4.170 0.002 0.000 0.288 101 I C 1.012 177.152 176.117 0.038 0.000 0.999 101 I CA -0.658 60.672 61.300 0.050 0.000 1.163 101 I CB 1.812 39.889 38.000 0.127 0.000 1.316 101 I HN 0.960 nan 8.210 nan 0.000 0.454 102 A N 5.831 128.725 122.820 0.123 0.000 1.940 102 A HA -0.166 4.155 4.320 0.002 0.000 0.219 102 A C 2.117 179.897 177.584 0.327 0.000 1.176 102 A CA 2.269 54.413 52.037 0.180 0.000 0.631 102 A CB -0.630 18.448 19.000 0.130 0.000 0.814 102 A HN 0.722 nan 8.150 nan 0.000 0.446 103 V N -1.583 118.506 119.914 0.293 0.000 2.667 103 V HA -0.096 4.024 4.120 0.002 0.000 0.252 103 V C 2.054 178.185 176.094 0.061 0.000 1.065 103 V CA 1.832 64.205 62.300 0.122 0.000 1.083 103 V CB -1.028 30.811 31.823 0.027 0.000 0.692 103 V HN 0.707 nan 8.190 nan 0.000 0.468 104 V N -2.665 117.271 119.914 0.037 0.000 3.621 104 V HA 0.215 4.336 4.120 0.002 0.000 0.263 104 V C 2.063 178.129 176.094 -0.047 0.000 1.272 104 V CA 1.147 63.432 62.300 -0.026 0.000 1.080 104 V CB -0.126 31.678 31.823 -0.031 0.000 0.816 104 V HN 0.460 nan 8.190 nan 0.000 0.451 105 D N 2.211 122.560 120.400 -0.085 0.000 2.158 105 D HA -0.111 4.530 4.640 0.002 0.000 0.197 105 D C -0.305 176.010 176.300 0.025 0.000 0.995 105 D CA 2.257 56.214 54.000 -0.071 0.000 0.846 105 D CB -0.931 39.837 40.800 -0.052 0.000 0.941 105 D HN 0.406 nan 8.370 nan 0.000 0.456 106 P HA -0.064 nan 4.420 nan 0.000 0.222 106 P C 1.149 178.542 177.300 0.155 0.000 1.147 106 P CA 0.694 63.875 63.100 0.136 0.000 0.790 106 P CB 0.134 31.939 31.700 0.176 0.000 0.780 107 I N -2.295 118.269 120.570 -0.011 0.000 2.385 107 I HA -0.070 4.101 4.170 0.002 0.000 0.244 107 I C 2.027 177.971 176.117 -0.289 0.000 1.089 107 I CA 1.398 62.530 61.300 -0.280 0.000 1.410 107 I CB -1.331 36.316 38.000 -0.589 0.000 1.117 107 I HN -0.092 nan 8.210 nan 0.000 0.429 108 F N 1.088 120.970 119.950 -0.114 0.000 2.234 108 F HA -0.046 4.481 4.527 0.001 0.000 0.296 108 F C 1.398 177.264 175.800 0.111 0.000 1.089 108 F CA 0.483 58.466 58.000 -0.028 0.000 1.343 108 F CB -0.524 38.403 39.000 -0.121 0.000 1.040 108 F HN 0.171 nan 8.300 nan 0.000 0.498 109 Q N -0.279 119.654 119.800 0.221 0.000 2.461 109 Q HA -0.256 4.085 4.340 0.002 0.000 0.273 109 Q C 1.204 177.338 176.000 0.224 0.000 1.163 109 Q CA 0.370 56.310 55.803 0.228 0.000 0.929 109 Q CB -2.126 26.785 28.738 0.288 0.000 1.334 109 Q HN 0.716 nan 8.270 nan 0.000 0.499 110 G N -1.868 107.032 108.800 0.166 0.000 2.148 110 G HA2 -0.345 3.616 3.960 0.002 0.000 0.254 110 G HA3 -0.345 3.616 3.960 0.002 0.000 0.254 110 G C -0.253 174.605 174.900 -0.070 0.000 0.981 110 G CA 0.598 45.724 45.100 0.042 0.000 0.670 110 G HN 0.403 nan 8.290 nan 0.000 0.528 111 Y N 0.041 120.467 120.300 0.210 0.000 2.488 111 Y HA 0.583 5.133 4.550 -0.000 0.000 0.325 111 Y C 1.136 177.193 175.900 0.261 0.000 1.204 111 Y CA 0.208 58.431 58.100 0.205 0.000 1.229 111 Y CB 1.553 40.124 38.460 0.185 0.000 1.274 111 Y HN 1.185 nan 8.280 nan 0.000 0.493 112 G N -0.215 108.806 108.800 0.370 0.000 2.781 112 G HA2 -0.201 3.760 3.960 0.002 0.000 0.683 112 G HA3 -0.201 3.760 3.960 0.002 0.000 0.683 112 G C 0.348 175.369 174.900 0.202 0.000 1.390 112 G CA -0.353 44.919 45.100 0.285 0.000 0.850 112 G HN 0.898 nan 8.290 nan 0.000 0.557 113 V N 0.948 120.967 119.914 0.176 0.000 2.427 113 V HA -0.080 4.041 4.120 0.002 0.000 0.248 113 V C 2.684 178.848 176.094 0.117 0.000 1.051 113 V CA 2.794 65.206 62.300 0.188 0.000 1.048 113 V CB -0.682 31.259 31.823 0.197 0.000 0.666 113 V HN 0.598 nan 8.190 nan 0.000 0.456 114 I N -1.081 119.424 120.570 -0.108 0.000 2.233 114 I HA -0.141 4.030 4.170 0.002 0.000 0.243 114 I C 1.843 177.569 176.117 -0.652 0.000 1.093 114 I CA 1.678 62.696 61.300 -0.470 0.000 1.380 114 I CB -0.319 37.168 38.000 -0.856 0.000 1.067 114 I HN 0.265 nan 8.210 nan 0.000 0.413 115 F N 0.973 120.815 119.950 -0.181 0.000 2.727 115 F HA 0.379 4.907 4.527 0.003 0.000 0.302 115 F C 1.393 177.128 175.800 -0.109 0.000 1.097 115 F CA -0.534 57.357 58.000 -0.182 0.000 1.330 115 F CB -0.469 38.401 39.000 -0.217 0.000 1.084 115 F HN -0.145 nan 8.300 nan 0.000 0.578 116 A N 0.443 123.303 122.820 0.066 0.000 2.366 116 A HA 0.382 4.702 4.320 0.002 0.000 0.249 116 A C 0.317 177.904 177.584 0.005 0.000 1.084 116 A CA -0.117 51.956 52.037 0.060 0.000 0.794 116 A CB 0.221 19.308 19.000 0.144 0.000 1.034 116 A HN 0.253 nan 8.150 nan 0.000 0.491 117 N N -1.233 117.486 118.700 0.032 0.000 2.509 117 N HA 0.604 5.345 4.740 0.002 0.000 0.280 117 N C 0.528 176.123 175.510 0.142 0.000 1.306 117 N CA 0.570 53.634 53.050 0.024 0.000 0.782 117 N CB 1.876 40.333 38.487 -0.049 0.000 1.493 117 N HN 1.324 nan 8.380 nan 0.000 0.498 118 G N 1.245 110.148 108.800 0.171 0.000 2.564 118 G HA2 -0.363 3.598 3.960 0.002 0.000 0.273 118 G HA3 -0.363 3.598 3.960 0.002 0.000 0.273 118 G C 0.858 175.859 174.900 0.170 0.000 1.242 118 G CA 1.024 46.215 45.100 0.152 0.000 0.951 118 G HN 0.635 nan 8.290 nan 0.000 0.564 119 E N 0.110 120.360 120.200 0.084 0.000 2.110 119 E HA -0.115 4.236 4.350 0.002 0.000 0.193 119 E C 2.506 179.119 176.600 0.021 0.000 0.988 119 E CA 2.100 58.526 56.400 0.043 0.000 0.804 119 E CB -0.282 29.433 29.700 0.026 0.000 0.745 119 E HN 0.584 nan 8.360 nan 0.000 0.458 120 R N -0.888 119.630 120.500 0.029 0.000 2.080 120 R HA -0.193 4.148 4.340 0.002 0.000 0.236 120 R C 2.191 178.512 176.300 0.035 0.000 1.137 120 R CA 1.862 57.955 56.100 -0.011 0.000 0.943 120 R CB -0.847 29.439 30.300 -0.022 0.000 0.846 120 R HN 0.394 nan 8.270 nan 0.000 0.431 121 W N 1.730 122.995 121.300 -0.059 0.000 2.333 121 W HA -0.185 4.476 4.660 0.001 0.000 0.316 121 W C 2.052 178.564 176.519 -0.011 0.000 1.215 121 W CA 1.850 59.171 57.345 -0.041 0.000 1.278 121 W CB -0.312 29.118 29.460 -0.050 0.000 1.154 121 W HN 0.028 nan 8.180 nan 0.000 0.486 122 R N -0.005 120.318 120.500 -0.296 0.000 2.091 122 R HA -0.169 4.172 4.340 0.002 0.000 0.238 122 R C 2.431 178.554 176.300 -0.296 0.000 1.136 122 R CA 1.866 57.667 56.100 -0.498 0.000 0.959 122 R CB -1.111 29.049 30.300 -0.233 0.000 0.856 122 R HN 0.293 nan 8.270 nan 0.000 0.437 123 A N 1.129 123.870 122.820 -0.132 0.000 1.873 123 A HA -0.093 4.228 4.320 0.002 0.000 0.215 123 A C 2.202 179.824 177.584 0.064 0.000 1.186 123 A CA 1.046 53.083 52.037 0.000 0.000 0.616 123 A CB -0.467 18.536 19.000 0.006 0.000 0.823 123 A HN 0.163 nan 8.150 nan 0.000 0.442 124 L N -1.205 119.977 121.223 -0.068 0.000 2.093 124 L HA -0.140 4.201 4.340 0.002 0.000 0.208 124 L C 2.782 179.740 176.870 0.147 0.000 1.085 124 L CA 1.685 56.552 54.840 0.046 0.000 0.755 124 L CB -0.418 41.652 42.059 0.018 0.000 0.904 124 L HN 0.464 nan 8.230 nan 0.000 0.435 125 R N 0.419 120.867 120.500 -0.087 0.000 2.066 125 R HA -0.179 4.162 4.340 0.002 0.000 0.232 125 R C 2.511 178.791 176.300 -0.034 0.000 1.131 125 R CA 1.368 57.400 56.100 -0.113 0.000 0.955 125 R CB -0.166 29.853 30.300 -0.467 0.000 0.851 125 R HN 0.144 nan 8.270 nan 0.000 0.432 126 R N -0.450 120.008 120.500 -0.070 0.000 2.083 126 R HA -0.208 4.133 4.340 0.002 0.000 0.237 126 R C 2.132 178.474 176.300 0.070 0.000 1.137 126 R CA 2.043 58.134 56.100 -0.015 0.000 0.951 126 R CB -0.527 29.760 30.300 -0.022 0.000 0.851 126 R HN 0.321 nan 8.270 nan 0.000 0.434 127 F N 1.021 121.000 119.950 0.048 0.000 2.095 127 F HA -0.202 4.327 4.527 0.002 0.000 0.298 127 F C 2.221 178.065 175.800 0.073 0.000 1.104 127 F CA 2.097 60.132 58.000 0.059 0.000 1.232 127 F CB -0.301 38.832 39.000 0.222 0.000 0.987 127 F HN -0.007 nan 8.300 nan 0.000 0.475 128 S N 1.031 116.915 115.700 0.307 0.000 2.368 128 S HA -0.172 4.299 4.470 0.002 0.000 0.224 128 S C 2.043 176.723 174.600 0.134 0.000 1.029 128 S CA 1.234 59.646 58.200 0.353 0.000 0.988 128 S CB -0.717 62.762 63.200 0.464 0.000 0.838 128 S HN 0.507 nan 8.310 nan 0.000 0.462 129 L N 1.352 122.611 121.223 0.061 0.000 1.989 129 L HA -0.210 4.131 4.340 0.002 0.000 0.211 129 L C 2.531 179.379 176.870 -0.035 0.000 1.071 129 L CA 1.738 56.584 54.840 0.010 0.000 0.749 129 L CB -0.601 41.451 42.059 -0.011 0.000 0.890 129 L HN 0.347 nan 8.230 nan 0.000 0.431 130 A N -1.257 121.510 122.820 -0.089 0.000 1.902 130 A HA -0.204 4.117 4.320 0.002 0.000 0.217 130 A C 2.232 179.738 177.584 -0.130 0.000 1.181 130 A CA 2.310 54.276 52.037 -0.118 0.000 0.623 130 A CB -1.091 17.826 19.000 -0.139 0.000 0.818 130 A HN 0.526 nan 8.150 nan 0.000 0.443 131 T N -0.065 114.332 114.554 -0.261 0.000 2.777 131 T HA -0.097 4.254 4.350 0.002 0.000 0.266 131 T C 1.960 176.700 174.700 0.066 0.000 1.040 131 T CA 1.618 63.600 62.100 -0.197 0.000 1.141 131 T CB -0.280 68.113 68.868 -0.791 0.000 0.868 131 T HN 0.402 nan 8.240 nan 0.000 0.444 132 M N 0.516 120.179 119.600 0.105 0.000 2.159 132 M HA -0.069 4.412 4.480 0.002 0.000 0.263 132 M C 2.551 178.885 176.300 0.056 0.000 1.063 132 M CA 1.332 56.720 55.300 0.147 0.000 1.110 132 M CB -0.349 32.326 32.600 0.125 0.000 1.374 132 M HN 0.140 nan 8.290 nan 0.000 0.411 133 R N 0.739 121.240 120.500 0.001 0.000 2.082 133 R HA -0.187 4.154 4.340 0.002 0.000 0.234 133 R C 1.266 177.507 176.300 -0.099 0.000 1.136 133 R CA 2.242 58.313 56.100 -0.048 0.000 0.935 133 R CB -0.137 30.124 30.300 -0.066 0.000 0.842 133 R HN 0.294 nan 8.270 nan 0.000 0.430 134 D N -1.193 119.110 120.400 -0.163 0.000 2.305 134 D HA 0.034 4.675 4.640 0.002 0.000 0.206 134 D C -0.286 175.598 176.300 -0.695 0.000 0.974 134 D CA 0.814 54.539 54.000 -0.458 0.000 0.871 134 D CB 0.272 40.693 40.800 -0.632 0.000 0.947 134 D HN 0.080 nan 8.370 nan 0.000 0.516 135 F N -0.439 119.490 119.950 -0.036 0.000 2.556 135 F HA 0.642 5.170 4.527 0.002 0.000 0.314 135 F C 0.767 176.588 175.800 0.036 0.000 1.106 135 F CA -0.762 57.236 58.000 -0.004 0.000 0.911 135 F CB 2.766 41.755 39.000 -0.017 0.000 1.190 135 F HN -0.140 nan 8.300 nan 0.000 0.448 136 G N 1.474 110.406 108.800 0.220 0.000 2.322 136 G HA2 0.316 4.277 3.960 0.002 0.000 0.295 136 G HA3 0.316 4.277 3.960 0.002 0.000 0.295 136 G C -1.538 173.436 174.900 0.124 0.000 1.369 136 G CA -1.270 43.926 45.100 0.160 0.000 0.821 136 G HN 0.705 nan 8.290 nan 0.000 0.536 137 M N 1.420 121.084 119.600 0.107 0.000 2.323 137 M HA 0.317 4.798 4.480 0.002 0.000 0.386 137 M C 1.477 177.810 176.300 0.056 0.000 1.525 137 M CA 2.412 57.761 55.300 0.082 0.000 0.914 137 M CB -0.277 32.362 32.600 0.066 0.000 2.042 137 M HN 2.391 nan 8.290 nan 0.000 0.483 138 G N 4.208 113.039 108.800 0.051 0.000 2.187 138 G HA2 -0.370 3.591 3.960 0.002 0.000 0.261 138 G HA3 -0.370 3.591 3.960 0.002 0.000 0.261 138 G C 0.471 175.389 174.900 0.030 0.000 1.000 138 G CA 0.857 45.977 45.100 0.033 0.000 0.718 138 G HN 1.165 nan 8.290 nan 0.000 0.519 139 K N -1.809 118.616 120.400 0.042 0.000 3.426 139 K HA -0.247 4.074 4.320 0.002 0.000 0.315 139 K C 0.985 177.583 176.600 -0.004 0.000 1.293 139 K CA 2.104 58.402 56.287 0.020 0.000 0.955 139 K CB -1.151 31.356 32.500 0.013 0.000 1.238 139 K HN 0.868 nan 8.250 nan 0.000 0.441 140 R N 1.122 121.626 120.500 0.006 0.000 2.582 140 R HA 0.252 4.593 4.340 0.002 0.000 0.271 140 R C 0.503 176.798 176.300 -0.008 0.000 1.078 140 R CA 0.268 56.366 56.100 -0.002 0.000 1.127 140 R CB 0.851 31.155 30.300 0.006 0.000 1.038 140 R HN 0.434 nan 8.270 nan 0.000 0.500 141 S N 0.368 116.056 115.700 -0.019 0.000 2.589 141 S HA 0.007 4.478 4.470 0.002 0.000 0.265 141 S C 1.522 176.114 174.600 -0.013 0.000 1.342 141 S CA -0.932 57.252 58.200 -0.027 0.000 1.005 141 S CB 0.974 64.154 63.200 -0.033 0.000 0.909 141 S HN 0.356 nan 8.310 nan 0.000 0.555 142 V N 1.372 121.276 119.914 -0.017 0.000 2.282 142 V HA -0.211 3.909 4.120 0.002 0.000 0.249 142 V C 2.795 178.877 176.094 -0.021 0.000 1.057 142 V CA 2.445 64.738 62.300 -0.012 0.000 1.032 142 V CB -1.299 30.514 31.823 -0.017 0.000 0.645 142 V HN 1.059 nan 8.190 nan 0.000 0.447 143 E N 0.142 120.325 120.200 -0.029 0.000 2.058 143 E HA -0.298 4.053 4.350 0.002 0.000 0.194 143 E C 2.183 178.769 176.600 -0.023 0.000 0.997 143 E CA 1.905 58.286 56.400 -0.032 0.000 0.801 143 E CB -0.140 29.545 29.700 -0.025 0.000 0.746 143 E HN 0.727 nan 8.360 nan 0.000 0.450 144 E N -0.122 120.071 120.200 -0.012 0.000 2.110 144 E HA -0.188 4.163 4.350 0.002 0.000 0.193 144 E C 2.282 178.887 176.600 0.008 0.000 0.988 144 E CA 1.043 57.442 56.400 -0.001 0.000 0.804 144 E CB -0.003 29.697 29.700 0.000 0.000 0.745 144 E HN 0.226 nan 8.360 nan 0.000 0.458 145 R N 0.200 120.706 120.500 0.010 0.000 2.092 145 R HA -0.046 4.295 4.340 0.002 0.000 0.231 145 R C 2.329 178.654 176.300 0.041 0.000 1.119 145 R CA 0.889 57.008 56.100 0.031 0.000 0.970 145 R CB -0.188 30.136 30.300 0.039 0.000 0.864 145 R HN 0.195 nan 8.270 nan 0.000 0.440 146 I N 0.933 121.497 120.570 -0.009 0.000 2.252 146 I HA -0.278 3.893 4.170 0.002 0.000 0.245 146 I C 2.359 178.432 176.117 -0.074 0.000 1.102 146 I CA 1.370 62.617 61.300 -0.090 0.000 1.385 146 I CB -0.285 37.569 38.000 -0.244 0.000 1.064 146 I HN 0.203 nan 8.210 nan 0.000 0.414 147 Q N 0.312 120.087 119.800 -0.041 0.000 2.096 147 Q HA -0.298 4.042 4.340 0.002 0.000 0.204 147 Q C 2.126 178.163 176.000 0.061 0.000 0.982 147 Q CA 2.029 57.834 55.803 0.004 0.000 0.850 147 Q CB -0.143 28.602 28.738 0.013 0.000 0.901 147 Q HN 0.374 nan 8.270 nan 0.000 0.422 148 E N 0.998 121.236 120.200 0.063 0.000 2.072 148 E HA -0.223 4.128 4.350 0.002 0.000 0.191 148 E C 1.689 178.365 176.600 0.126 0.000 0.985 148 E CA 1.360 57.806 56.400 0.076 0.000 0.801 148 E CB -0.043 29.686 29.700 0.049 0.000 0.750 148 E HN 0.205 nan 8.360 nan 0.000 0.452 149 E N 0.127 120.436 120.200 0.183 0.000 2.085 149 E HA -0.142 4.209 4.350 0.002 0.000 0.194 149 E C 1.843 178.682 176.600 0.398 0.000 0.994 149 E CA 1.656 58.236 56.400 0.300 0.000 0.801 149 E CB -0.604 29.348 29.700 0.420 0.000 0.743 149 E HN 0.342 nan 8.360 nan 0.000 0.453 150 A N 0.691 123.780 122.820 0.449 0.000 1.902 150 A HA -0.194 4.127 4.320 0.002 0.000 0.217 150 A C 2.267 179.997 177.584 0.244 0.000 1.181 150 A CA 1.691 53.979 52.037 0.419 0.000 0.623 150 A CB -0.591 18.593 19.000 0.306 0.000 0.818 150 A HN 0.237 nan 8.150 nan 0.000 0.443 151 R N -0.585 120.022 120.500 0.178 0.000 2.091 151 R HA -0.181 4.160 4.340 0.002 0.000 0.238 151 R C 2.165 178.554 176.300 0.148 0.000 1.136 151 R CA 2.042 58.223 56.100 0.135 0.000 0.959 151 R CB -0.675 29.681 30.300 0.095 0.000 0.856 151 R HN 0.586 nan 8.270 nan 0.000 0.437 152 C N 0.458 119.856 119.300 0.163 0.000 2.429 152 C HA -0.094 4.367 4.460 0.002 0.000 0.277 152 C C 2.557 177.738 174.990 0.318 0.000 1.262 152 C CA 0.272 59.397 59.018 0.178 0.000 1.733 152 C CB -0.991 26.800 27.740 0.084 0.000 2.010 152 C HN 0.544 nan 8.230 nan 0.000 0.483 153 L N 0.985 122.390 121.223 0.303 0.000 2.017 153 L HA -0.094 4.247 4.340 0.002 0.000 0.208 153 L C 2.519 179.422 176.870 0.056 0.000 1.073 153 L CA 1.892 56.810 54.840 0.129 0.000 0.745 153 L CB -0.775 41.281 42.059 -0.005 0.000 0.894 153 L HN 0.195 nan 8.230 nan 0.000 0.432 154 V N -0.052 119.948 119.914 0.143 0.000 2.332 154 V HA -0.350 3.771 4.120 0.002 0.000 0.248 154 V C 2.610 178.841 176.094 0.229 0.000 1.055 154 V CA 2.122 64.570 62.300 0.247 0.000 1.038 154 V CB -0.718 31.246 31.823 0.235 0.000 0.651 154 V HN 0.640 nan 8.190 nan 0.000 0.450 155 E N -0.058 120.241 120.200 0.165 0.000 2.085 155 E HA -0.312 4.039 4.350 0.002 0.000 0.194 155 E C 2.180 178.855 176.600 0.125 0.000 0.994 155 E CA 1.745 58.229 56.400 0.139 0.000 0.801 155 E CB -0.068 29.701 29.700 0.116 0.000 0.743 155 E HN 0.631 nan 8.360 nan 0.000 0.453 156 E N 0.507 120.782 120.200 0.125 0.000 2.047 156 E HA -0.138 4.213 4.350 0.002 0.000 0.191 156 E C 2.102 178.675 176.600 -0.044 0.000 0.987 156 E CA 1.114 57.557 56.400 0.072 0.000 0.799 156 E CB -0.262 29.497 29.700 0.098 0.000 0.752 156 E HN 0.337 nan 8.360 nan 0.000 0.449 157 L N 0.020 121.154 121.223 -0.149 0.000 2.083 157 L HA -0.141 4.200 4.340 0.002 0.000 0.209 157 L C 2.714 179.524 176.870 -0.100 0.000 1.083 157 L CA 1.235 55.874 54.840 -0.334 0.000 0.752 157 L CB -0.383 41.143 42.059 -0.889 0.000 0.899 157 L HN 0.117 nan 8.230 nan 0.000 0.433 158 R N 0.360 120.964 120.500 0.174 0.000 2.105 158 R HA -0.191 4.150 4.340 0.002 0.000 0.239 158 R C 2.283 178.668 176.300 0.141 0.000 1.135 158 R CA 1.441 57.706 56.100 0.275 0.000 0.967 158 R CB -0.177 30.267 30.300 0.238 0.000 0.861 158 R HN 0.372 nan 8.270 nan 0.000 0.442 159 K N -0.161 120.290 120.400 0.084 0.000 2.147 159 K HA -0.062 4.258 4.320 0.002 0.000 0.205 159 K C 1.977 178.598 176.600 0.035 0.000 1.049 159 K CA 1.406 57.727 56.287 0.057 0.000 0.936 159 K CB 0.011 32.538 32.500 0.046 0.000 0.722 159 K HN 0.033 nan 8.250 nan 0.000 0.446 160 S N 0.877 116.582 115.700 0.008 0.000 2.474 160 S HA -0.040 4.431 4.470 0.002 0.000 0.235 160 S C 0.283 174.899 174.600 0.026 0.000 0.997 160 S CA 0.585 58.782 58.200 -0.005 0.000 0.949 160 S CB -0.041 63.133 63.200 -0.043 0.000 0.766 160 S HN 0.208 nan 8.310 nan 0.000 0.517 161 K N -0.195 120.245 120.400 0.066 0.000 3.035 161 K HA -0.208 4.113 4.320 0.002 0.000 0.262 161 K C 0.767 177.416 176.600 0.082 0.000 1.024 161 K CA 0.666 57.008 56.287 0.092 0.000 0.748 161 K CB -2.361 30.182 32.500 0.072 0.000 1.247 161 K HN 0.707 nan 8.250 nan 0.000 0.482 162 G N -1.416 107.431 108.800 0.079 0.000 2.143 162 G HA2 -0.269 3.692 3.960 0.002 0.000 0.249 162 G HA3 -0.269 3.692 3.960 0.002 0.000 0.249 162 G C 0.310 175.219 174.900 0.015 0.000 0.981 162 G CA 0.696 45.832 45.100 0.061 0.000 0.665 162 G HN 0.963 nan 8.290 nan 0.000 0.528 163 A N -0.137 122.684 122.820 0.002 0.000 2.425 163 A HA 0.629 4.950 4.320 0.002 0.000 0.242 163 A C 0.942 178.496 177.584 -0.049 0.000 1.077 163 A CA -0.002 52.022 52.037 -0.022 0.000 0.781 163 A CB 0.278 19.264 19.000 -0.024 0.000 1.020 163 A HN 0.990 nan 8.150 nan 0.000 0.494 164 L N 1.646 122.834 121.223 -0.059 0.000 2.513 164 L HA 0.310 4.651 4.340 0.002 0.000 0.272 164 L C 0.151 176.959 176.870 -0.103 0.000 1.187 164 L CA 0.261 55.050 54.840 -0.085 0.000 0.895 164 L CB -0.308 41.708 42.059 -0.072 0.000 1.147 164 L HN 0.706 nan 8.230 nan 0.000 0.483 165 L N 0.142 121.280 121.223 -0.141 0.000 2.409 165 L HA 0.692 5.033 4.340 0.002 0.000 0.255 165 L C -1.093 175.630 176.870 -0.245 0.000 1.027 165 L CA -0.997 53.741 54.840 -0.171 0.000 0.834 165 L CB 2.199 44.161 42.059 -0.161 0.000 1.426 165 L HN 0.295 nan 8.230 nan 0.000 0.411 166 D N 1.318 121.551 120.400 -0.279 0.000 2.329 166 D HA 0.152 4.793 4.640 0.002 0.000 0.232 166 D C 0.158 176.183 176.300 -0.458 0.000 1.088 166 D CA -0.309 53.461 54.000 -0.384 0.000 0.835 166 D CB 1.439 42.055 40.800 -0.307 0.000 1.078 166 D HN 0.786 nan 8.370 nan 0.000 0.495 167 N N 2.070 120.405 118.700 -0.608 0.000 2.461 167 N HA -0.099 4.642 4.740 0.002 0.000 0.188 167 N C 1.081 176.074 175.510 -0.860 0.000 1.134 167 N CA 0.212 52.780 53.050 -0.803 0.000 0.878 167 N CB -0.164 37.694 38.487 -1.048 0.000 0.972 167 N HN 0.194 nan 8.380 nan 0.000 0.456 168 T N 1.133 115.316 114.554 -0.619 0.000 2.635 168 T HA -0.166 4.185 4.350 0.002 0.000 0.267 168 T C 1.621 175.893 174.700 -0.713 0.000 1.040 168 T CA 1.338 63.073 62.100 -0.608 0.000 1.156 168 T CB -0.384 68.198 68.868 -0.476 0.000 0.863 168 T HN 0.201 nan 8.240 nan 0.000 0.430 169 L N 0.720 121.640 121.223 -0.506 0.000 1.989 169 L HA 0.028 4.369 4.340 0.002 0.000 0.211 169 L C 2.258 178.928 176.870 -0.333 0.000 1.071 169 L CA 1.601 56.222 54.840 -0.364 0.000 0.749 169 L CB -0.838 41.073 42.059 -0.247 0.000 0.890 169 L HN 0.266 nan 8.230 nan 0.000 0.431 170 L N -1.884 119.082 121.223 -0.428 0.000 2.093 170 L HA -0.201 4.140 4.340 0.002 0.000 0.208 170 L C 2.361 179.089 176.870 -0.238 0.000 1.085 170 L CA 0.758 55.337 54.840 -0.435 0.000 0.755 170 L CB -0.482 41.215 42.059 -0.603 0.000 0.904 170 L HN 0.210 nan 8.230 nan 0.000 0.435 171 F N -0.734 118.987 119.950 -0.382 0.000 2.234 171 F HA -0.151 4.376 4.527 0.001 0.000 0.299 171 F C 2.682 178.366 175.800 -0.193 0.000 1.087 171 F CA 0.808 58.616 58.000 -0.320 0.000 1.340 171 F CB -1.132 37.706 39.000 -0.270 0.000 1.031 171 F HN 0.152 nan 8.300 nan 0.000 0.500 172 H N -0.662 118.304 119.070 -0.174 0.000 2.389 172 H HA -0.040 4.517 4.556 0.002 0.000 0.299 172 H C 2.370 177.654 175.328 -0.073 0.000 1.081 172 H CA 1.224 57.019 56.048 -0.422 0.000 1.345 172 H CB -0.634 28.474 29.762 -1.090 0.000 1.393 172 H HN 0.095 nan 8.280 nan 0.000 0.520 173 S N 0.830 116.607 115.700 0.128 0.000 2.355 173 S HA -0.078 4.393 4.470 0.002 0.000 0.222 173 S C 2.353 177.210 174.600 0.427 0.000 1.031 173 S CA 1.213 59.635 58.200 0.370 0.000 0.993 173 S CB -0.242 63.190 63.200 0.385 0.000 0.859 173 S HN 0.586 nan 8.310 nan 0.000 0.453 174 I N 1.528 122.216 120.570 0.197 0.000 2.315 174 I HA -0.121 4.050 4.170 0.002 0.000 0.248 174 I C 2.460 178.718 176.117 0.234 0.000 1.117 174 I CA 1.709 63.095 61.300 0.143 0.000 1.404 174 I CB -1.457 36.342 38.000 -0.335 0.000 1.071 174 I HN 0.321 nan 8.210 nan 0.000 0.419 175 T N -1.393 113.293 114.554 0.221 0.000 2.857 175 T HA -0.023 4.328 4.350 0.002 0.000 0.266 175 T C 1.981 176.911 174.700 0.383 0.000 1.048 175 T CA 1.388 63.669 62.100 0.302 0.000 1.139 175 T CB -0.608 68.422 68.868 0.271 0.000 0.874 175 T HN 0.383 nan 8.240 nan 0.000 0.455 176 S N 2.122 118.119 115.700 0.494 0.000 2.368 176 S HA -0.087 4.384 4.470 0.002 0.000 0.225 176 S C 2.143 177.102 174.600 0.598 0.000 1.030 176 S CA 1.037 59.612 58.200 0.625 0.000 0.999 176 S CB -0.560 63.058 63.200 0.696 0.000 0.844 176 S HN 0.498 nan 8.310 nan 0.000 0.459 177 N N 1.333 120.350 118.700 0.529 0.000 2.244 177 N HA 0.020 4.761 4.740 0.002 0.000 0.183 177 N C 1.497 177.189 175.510 0.303 0.000 1.016 177 N CA 0.686 53.987 53.050 0.419 0.000 0.866 177 N CB -0.329 38.352 38.487 0.324 0.000 0.980 177 N HN 0.261 nan 8.380 nan 0.000 0.430 178 I N 1.195 121.936 120.570 0.285 0.000 2.179 178 I HA -0.182 3.989 4.170 0.002 0.000 0.242 178 I C 1.983 178.159 176.117 0.097 0.000 1.088 178 I CA 0.750 62.165 61.300 0.192 0.000 1.357 178 I CB -0.929 37.192 38.000 0.203 0.000 1.051 178 I HN 0.039 nan 8.210 nan 0.000 0.409 179 I N 0.572 121.177 120.570 0.058 0.000 2.315 179 I HA -0.254 3.917 4.170 0.002 0.000 0.248 179 I C 2.874 178.858 176.117 -0.222 0.000 1.117 179 I CA 1.024 62.187 61.300 -0.228 0.000 1.404 179 I CB -1.515 36.143 38.000 -0.570 0.000 1.071 179 I HN 0.252 nan 8.210 nan 0.000 0.419 180 C N 0.988 120.383 119.300 0.157 0.000 2.413 180 C HA -0.167 4.293 4.460 0.002 0.000 0.276 180 C C 3.334 178.444 174.990 0.201 0.000 1.236 180 C CA 1.479 60.703 59.018 0.343 0.000 1.735 180 C CB -1.166 27.028 27.740 0.757 0.000 2.031 180 C HN 0.685 nan 8.230 nan 0.000 0.474 181 S N 1.076 116.868 115.700 0.153 0.000 2.370 181 S HA -0.153 4.317 4.470 0.002 0.000 0.226 181 S C 1.619 176.273 174.600 0.091 0.000 1.033 181 S CA 1.883 60.150 58.200 0.112 0.000 1.011 181 S CB -0.750 62.502 63.200 0.087 0.000 0.852 181 S HN 0.644 nan 8.310 nan 0.000 0.457 182 I N 1.654 122.242 120.570 0.030 0.000 2.353 182 I HA -0.090 4.081 4.170 0.002 0.000 0.248 182 I C 2.601 178.748 176.117 0.051 0.000 1.119 182 I CA 1.226 62.544 61.300 0.031 0.000 1.417 182 I CB -0.253 37.727 38.000 -0.034 0.000 1.078 182 I HN 0.443 nan 8.210 nan 0.000 0.421 183 V N -3.042 116.812 119.914 -0.099 0.000 2.521 183 V HA 0.042 4.163 4.120 0.002 0.000 0.239 183 V C 1.919 178.056 176.094 0.073 0.000 1.053 183 V CA 0.773 62.993 62.300 -0.133 0.000 1.073 183 V CB -0.836 30.644 31.823 -0.572 0.000 0.746 183 V HN 0.119 nan 8.190 nan 0.000 0.476 184 F N 2.389 122.487 119.950 0.247 0.000 2.789 184 F HA 0.608 5.136 4.527 0.001 0.000 0.300 184 F C 2.095 178.076 175.800 0.302 0.000 1.132 184 F CA -0.115 58.093 58.000 0.346 0.000 1.404 184 F CB -0.797 38.443 39.000 0.399 0.000 1.114 184 F HN 0.439 nan 8.300 nan 0.000 0.584 185 G N 1.328 110.340 108.800 0.354 0.000 2.198 185 G HA2 -0.305 3.656 3.960 0.002 0.000 0.260 185 G HA3 -0.305 3.656 3.960 0.002 0.000 0.260 185 G C 0.191 175.169 174.900 0.130 0.000 1.025 185 G CA 0.667 45.900 45.100 0.222 0.000 0.769 185 G HN 0.561 nan 8.290 nan 0.000 0.507 186 K N -1.764 118.708 120.400 0.120 0.000 2.579 186 K HA 0.754 5.075 4.320 0.002 0.000 0.284 186 K C -0.277 176.243 176.600 -0.134 0.000 0.990 186 K CA -1.184 55.067 56.287 -0.060 0.000 0.880 186 K CB 1.265 33.660 32.500 -0.176 0.000 1.488 186 K HN 0.556 nan 8.250 nan 0.000 0.425 187 R N 0.035 120.348 120.500 -0.311 0.000 2.912 187 R HA 0.627 4.968 4.340 0.002 0.000 0.262 187 R C -1.420 174.447 176.300 -0.722 0.000 1.057 187 R CA -0.873 55.036 56.100 -0.320 0.000 0.981 187 R CB 1.019 31.240 30.300 -0.131 0.000 1.201 187 R HN 0.394 nan 8.270 nan 0.000 0.484 188 F N -0.197 119.520 119.950 -0.389 0.000 2.508 188 F HA 0.265 4.793 4.527 0.002 0.000 0.325 188 F C 0.122 175.560 175.800 -0.604 0.000 1.090 188 F CA -0.795 56.842 58.000 -0.606 0.000 0.945 188 F CB 1.877 40.139 39.000 -1.229 0.000 1.156 188 F HN 0.650 nan 8.300 nan 0.000 0.463 189 D N 0.722 120.982 120.400 -0.233 0.000 2.472 189 D HA -0.052 4.589 4.640 0.002 0.000 0.237 189 D C 0.642 176.888 176.300 -0.090 0.000 1.141 189 D CA 0.409 54.272 54.000 -0.228 0.000 0.875 189 D CB 0.548 41.299 40.800 -0.081 0.000 1.192 189 D HN 0.391 nan 8.370 nan 0.000 0.450 190 Y N 1.709 122.050 120.300 0.069 0.000 2.384 190 Y HA -0.063 4.488 4.550 0.001 0.000 0.289 190 Y C 1.623 177.628 175.900 0.175 0.000 1.152 190 Y CA 0.806 58.998 58.100 0.154 0.000 1.258 190 Y CB -0.038 38.469 38.460 0.079 0.000 0.979 190 Y HN 0.355 nan 8.280 nan 0.000 0.549 191 K N 0.242 120.790 120.400 0.246 0.000 2.414 191 K HA 0.048 4.369 4.320 0.002 0.000 0.204 191 K C -0.263 176.432 176.600 0.158 0.000 1.026 191 K CA -0.049 56.344 56.287 0.177 0.000 1.108 191 K CB 0.149 32.719 32.500 0.117 0.000 0.855 191 K HN 0.162 nan 8.250 nan 0.000 0.517 192 D N 3.258 123.779 120.400 0.203 0.000 2.412 192 D HA -0.009 4.632 4.640 0.002 0.000 0.257 192 D C -1.422 174.988 176.300 0.183 0.000 1.217 192 D CA -1.405 52.706 54.000 0.185 0.000 0.897 192 D CB 1.460 42.387 40.800 0.212 0.000 1.132 192 D HN -0.013 nan 8.370 nan 0.000 0.493 193 P HA -0.101 nan 4.420 nan 0.000 0.220 193 P C 1.533 178.847 177.300 0.023 0.000 1.152 193 P CA 0.312 63.447 63.100 0.059 0.000 0.812 193 P CB 0.458 32.181 31.700 0.037 0.000 0.792 194 V N -0.309 119.619 119.914 0.022 0.000 2.407 194 V HA -0.186 3.935 4.120 0.002 0.000 0.245 194 V C 2.429 178.450 176.094 -0.122 0.000 1.041 194 V CA 1.366 63.639 62.300 -0.045 0.000 1.040 194 V CB -1.548 30.258 31.823 -0.030 0.000 0.671 194 V HN -0.057 nan 8.190 nan 0.000 0.455 195 F N 1.033 120.815 119.950 -0.279 0.000 2.087 195 F HA -0.254 4.274 4.527 0.002 0.000 0.299 195 F C 2.007 177.683 175.800 -0.206 0.000 1.100 195 F CA 1.872 59.636 58.000 -0.393 0.000 1.226 195 F CB -0.390 38.409 39.000 -0.335 0.000 0.983 195 F HN 0.039 nan 8.300 nan 0.000 0.479 196 L N -0.298 120.812 121.223 -0.187 0.000 2.141 196 L HA -0.145 4.195 4.340 0.002 0.000 0.209 196 L C 2.698 179.456 176.870 -0.186 0.000 1.094 196 L CA 1.344 56.042 54.840 -0.236 0.000 0.763 196 L CB -0.666 41.361 42.059 -0.053 0.000 0.908 196 L HN 0.135 nan 8.230 nan 0.000 0.437 197 R N 0.232 120.646 120.500 -0.143 0.000 2.075 197 R HA -0.168 4.173 4.340 0.002 0.000 0.232 197 R C 2.218 178.429 176.300 -0.147 0.000 1.126 197 R CA 1.353 57.384 56.100 -0.115 0.000 0.963 197 R CB -0.035 30.211 30.300 -0.091 0.000 0.858 197 R HN 0.166 nan 8.270 nan 0.000 0.435 198 L N 0.767 121.849 121.223 -0.235 0.000 2.109 198 L HA -0.067 4.274 4.340 0.002 0.000 0.207 198 L C 2.259 178.999 176.870 -0.217 0.000 1.086 198 L CA 1.188 55.866 54.840 -0.269 0.000 0.760 198 L CB -0.666 41.120 42.059 -0.455 0.000 0.910 198 L HN 0.257 nan 8.230 nan 0.000 0.437 199 L N -0.696 120.349 121.223 -0.296 0.000 2.012 199 L HA -0.268 4.072 4.340 0.002 0.000 0.210 199 L C 2.146 179.102 176.870 0.143 0.000 1.073 199 L CA 1.599 56.385 54.840 -0.091 0.000 0.748 199 L CB -0.360 41.482 42.059 -0.361 0.000 0.891 199 L HN 0.275 nan 8.230 nan 0.000 0.431 200 D N 0.151 120.560 120.400 0.015 0.000 2.116 200 D HA -0.222 4.419 4.640 0.002 0.000 0.193 200 D C 2.111 178.457 176.300 0.077 0.000 0.998 200 D CA 2.152 56.188 54.000 0.060 0.000 0.836 200 D CB -0.352 40.447 40.800 -0.001 0.000 0.951 200 D HN 0.516 nan 8.370 nan 0.000 0.449 201 L N -1.930 119.307 121.223 0.023 0.000 2.179 201 L HA 0.116 4.457 4.340 0.002 0.000 0.208 201 L C 2.252 179.123 176.870 0.003 0.000 1.096 201 L CA 1.092 55.932 54.840 -0.000 0.000 0.779 201 L CB -1.117 40.923 42.059 -0.033 0.000 0.922 201 L HN -0.094 nan 8.230 nan 0.000 0.443 202 F N 0.317 120.178 119.950 -0.148 0.000 2.075 202 F HA -0.152 4.375 4.527 0.001 0.000 0.297 202 F C 2.046 177.679 175.800 -0.279 0.000 1.113 202 F CA 1.572 59.412 58.000 -0.266 0.000 1.218 202 F CB -0.172 38.616 39.000 -0.354 0.000 0.984 202 F HN 0.005 nan 8.300 nan 0.000 0.472 203 F N 0.724 120.638 119.950 -0.060 0.000 2.293 203 F HA -0.151 4.377 4.527 0.002 0.000 0.300 203 F C 2.411 178.188 175.800 -0.037 0.000 1.086 203 F CA 1.184 59.153 58.000 -0.052 0.000 1.375 203 F CB -0.780 38.112 39.000 -0.180 0.000 1.045 203 F HN 0.025 nan 8.300 nan 0.000 0.516 204 Q N -0.246 119.601 119.800 0.079 0.000 2.181 204 Q HA -0.192 4.149 4.340 0.002 0.000 0.205 204 Q C 2.313 178.278 176.000 -0.060 0.000 0.980 204 Q CA 1.810 57.630 55.803 0.029 0.000 0.862 204 Q CB -0.306 28.437 28.738 0.009 0.000 0.905 204 Q HN 0.312 nan 8.270 nan 0.000 0.429 205 S N 0.176 115.736 115.700 -0.233 0.000 2.382 205 S HA -0.132 4.339 4.470 0.002 0.000 0.228 205 S C 1.498 175.907 174.600 -0.319 0.000 1.027 205 S CA 1.096 59.093 58.200 -0.339 0.000 0.991 205 S CB -0.303 62.566 63.200 -0.553 0.000 0.823 205 S HN 0.324 nan 8.310 nan 0.000 0.469 206 F N 2.210 122.045 119.950 -0.191 0.000 2.134 206 F HA -0.122 4.407 4.527 0.002 0.000 0.299 206 F C 2.808 178.586 175.800 -0.036 0.000 1.097 206 F CA 1.062 58.980 58.000 -0.136 0.000 1.264 206 F CB -0.726 38.170 39.000 -0.172 0.000 1.001 206 F HN 0.099 nan 8.300 nan 0.000 0.479 207 S N 0.714 116.515 115.700 0.169 0.000 2.370 207 S HA -0.182 4.289 4.470 0.002 0.000 0.226 207 S C 2.084 176.738 174.600 0.090 0.000 1.033 207 S CA 1.275 59.551 58.200 0.126 0.000 1.011 207 S CB -0.655 62.611 63.200 0.109 0.000 0.852 207 S HN 0.285 nan 8.310 nan 0.000 0.457 208 L N 0.700 121.951 121.223 0.047 0.000 2.093 208 L HA -0.044 4.297 4.340 0.002 0.000 0.208 208 L C 2.208 179.108 176.870 0.050 0.000 1.085 208 L CA 1.029 55.888 54.840 0.032 0.000 0.755 208 L CB -0.560 41.490 42.059 -0.014 0.000 0.904 208 L HN 0.280 nan 8.230 nan 0.000 0.435 209 I N -0.916 119.686 120.570 0.052 0.000 2.315 209 I HA -0.223 3.948 4.170 0.002 0.000 0.248 209 I C 2.109 178.306 176.117 0.133 0.000 1.117 209 I CA 1.056 62.414 61.300 0.096 0.000 1.404 209 I CB -0.114 37.960 38.000 0.123 0.000 1.071 209 I HN 0.089 nan 8.210 nan 0.000 0.419 210 S N 0.280 116.059 115.700 0.133 0.000 2.631 210 S HA 0.054 4.525 4.470 0.002 0.000 0.217 210 S C 0.878 175.570 174.600 0.153 0.000 0.958 210 S CA -0.041 58.245 58.200 0.143 0.000 0.920 210 S CB -0.287 62.987 63.200 0.123 0.000 0.776 210 S HN 0.521 nan 8.310 nan 0.000 0.517 211 S N 0.327 116.113 115.700 0.143 0.000 2.614 211 S HA 0.345 4.816 4.470 0.002 0.000 0.265 211 S C 0.773 175.493 174.600 0.199 0.000 1.303 211 S CA -0.693 57.606 58.200 0.166 0.000 1.000 211 S CB 0.207 63.492 63.200 0.141 0.000 0.935 211 S HN 0.276 nan 8.310 nan 0.000 0.551 212 F N 1.919 121.922 119.950 0.088 0.000 2.120 212 F HA -0.150 4.378 4.527 0.002 0.000 0.300 212 F C 2.572 178.436 175.800 0.106 0.000 1.095 212 F CA 2.221 60.273 58.000 0.087 0.000 1.249 212 F CB -0.651 38.391 39.000 0.069 0.000 0.995 212 F HN 0.656 nan 8.300 nan 0.000 0.480 213 S N -0.576 115.230 115.700 0.177 0.000 2.383 213 S HA -0.207 4.264 4.470 0.002 0.000 0.229 213 S C 2.105 176.753 174.600 0.079 0.000 1.030 213 S CA 1.534 59.802 58.200 0.112 0.000 1.002 213 S CB -0.453 62.836 63.200 0.148 0.000 0.829 213 S HN 0.408 nan 8.310 nan 0.000 0.467 214 S N 1.130 116.881 115.700 0.084 0.000 2.436 214 S HA 0.008 4.478 4.470 0.002 0.000 0.228 214 S C 1.936 176.612 174.600 0.126 0.000 1.014 214 S CA 0.418 58.692 58.200 0.124 0.000 0.950 214 S CB -0.147 63.118 63.200 0.108 0.000 0.784 214 S HN 0.515 nan 8.310 nan 0.000 0.504 215 Q N 0.619 120.430 119.800 0.019 0.000 2.084 215 Q HA -0.065 4.276 4.340 0.002 0.000 0.202 215 Q C 2.223 178.137 176.000 -0.144 0.000 0.978 215 Q CA 1.275 57.041 55.803 -0.060 0.000 0.844 215 Q CB -0.372 28.280 28.738 -0.144 0.000 0.898 215 Q HN 0.377 nan 8.270 nan 0.000 0.426 216 V N 0.559 120.338 119.914 -0.224 0.000 2.343 216 V HA -0.243 3.878 4.120 0.002 0.000 0.247 216 V C 1.919 178.047 176.094 0.057 0.000 1.051 216 V CA 1.660 63.893 62.300 -0.112 0.000 1.036 216 V CB -0.616 31.148 31.823 -0.098 0.000 0.654 216 V HN 0.278 nan 8.190 nan 0.000 0.451 217 F N 1.310 121.245 119.950 -0.025 0.000 2.171 217 F HA -0.179 4.348 4.527 0.000 0.000 0.300 217 F C 2.389 178.167 175.800 -0.038 0.000 1.090 217 F CA 1.994 59.993 58.000 -0.002 0.000 1.293 217 F CB -0.155 38.848 39.000 0.005 0.000 1.013 217 F HN 0.162 nan 8.300 nan 0.000 0.486 218 E N 0.412 120.654 120.200 0.069 0.000 2.130 218 E HA -0.218 4.133 4.350 0.002 0.000 0.196 218 E C 1.894 178.376 176.600 -0.198 0.000 0.998 218 E CA 1.712 58.102 56.400 -0.016 0.000 0.806 218 E CB -0.465 29.269 29.700 0.055 0.000 0.738 218 E HN 0.374 nan 8.360 nan 0.000 0.459 219 L N -1.339 119.678 121.223 -0.344 0.000 2.127 219 L HA 0.054 4.395 4.340 0.002 0.000 0.203 219 L C 0.979 177.321 176.870 -0.879 0.000 1.080 219 L CA 1.154 55.560 54.840 -0.724 0.000 0.768 219 L CB -0.119 41.301 42.059 -1.066 0.000 0.924 219 L HN 0.095 nan 8.230 nan 0.000 0.444 220 F N -1.675 118.190 119.950 -0.142 0.000 2.835 220 F HA 0.203 4.730 4.527 -0.000 0.000 0.342 220 F C 1.937 177.586 175.800 -0.252 0.000 1.202 220 F CA -0.087 57.842 58.000 -0.119 0.000 1.240 220 F CB -0.836 38.151 39.000 -0.021 0.000 1.005 220 F HN -0.035 nan 8.300 nan 0.000 0.507 221 S N -0.295 115.113 115.700 -0.487 0.000 2.383 221 S HA -0.184 4.287 4.470 0.002 0.000 0.229 221 S C 2.452 176.773 174.600 -0.466 0.000 1.030 221 S CA 1.524 59.079 58.200 -1.074 0.000 1.002 221 S CB -1.086 61.322 63.200 -1.320 0.000 0.829 221 S HN 0.450 nan 8.310 nan 0.000 0.467 222 G N 0.316 109.012 108.800 -0.174 0.000 2.475 222 G HA2 -0.194 3.767 3.960 0.002 0.000 0.220 222 G HA3 -0.194 3.767 3.960 0.002 0.000 0.220 222 G C 1.200 176.214 174.900 0.190 0.000 1.125 222 G CA 1.017 46.119 45.100 0.004 0.000 0.755 222 G HN 0.599 nan 8.290 nan 0.000 0.565 223 F N 0.115 120.121 119.950 0.094 0.000 2.274 223 F HA 0.329 4.856 4.527 -0.000 0.000 0.288 223 F C 2.320 178.334 175.800 0.356 0.000 1.069 223 F CA 0.273 58.431 58.000 0.262 0.000 1.343 223 F CB 0.143 39.243 39.000 0.167 0.000 1.089 223 F HN -0.028 nan 8.300 nan 0.000 0.517 224 L N 1.402 122.739 121.223 0.189 0.000 2.376 224 L HA -0.140 4.201 4.340 0.002 0.000 0.219 224 L C 2.249 179.245 176.870 0.211 0.000 1.133 224 L CA 0.994 55.965 54.840 0.218 0.000 0.816 224 L CB -0.694 41.526 42.059 0.269 0.000 0.933 224 L HN 0.228 nan 8.230 nan 0.000 0.449 225 K N -0.371 119.990 120.400 -0.066 0.000 2.362 225 K HA -0.180 4.141 4.320 0.002 0.000 0.200 225 K C 1.270 177.728 176.600 -0.236 0.000 1.046 225 K CA 1.345 57.496 56.287 -0.227 0.000 0.952 225 K CB -0.318 31.983 32.500 -0.332 0.000 0.753 225 K HN 0.291 nan 8.250 nan 0.000 0.466 226 Y N 0.100 120.366 120.300 -0.057 0.000 2.490 226 Y HA 0.217 4.766 4.550 -0.001 0.000 0.281 226 Y C 0.098 175.663 175.900 -0.559 0.000 1.174 226 Y CA -0.433 57.457 58.100 -0.351 0.000 1.295 226 Y CB 0.207 38.309 38.460 -0.597 0.000 1.062 226 Y HN -0.104 nan 8.280 nan 0.000 0.522 227 F N -0.681 119.334 119.950 0.107 0.000 2.579 227 F HA 0.498 5.027 4.527 0.005 0.000 0.324 227 F C -2.290 173.611 175.800 0.168 0.000 1.058 227 F CA -3.272 54.784 58.000 0.093 0.000 0.944 227 F CB 0.813 39.834 39.000 0.035 0.000 1.245 227 F HN -0.322 nan 8.300 nan 0.000 0.477 228 P HA 0.344 nan 4.420 nan 0.000 0.267 228 P C -0.227 177.162 177.300 0.149 0.000 1.201 228 P CA 0.240 63.412 63.100 0.120 0.000 0.775 228 P CB 0.544 32.299 31.700 0.092 0.000 0.854 229 G N -0.412 108.384 108.800 -0.006 0.000 2.324 229 G HA2 0.229 4.190 3.960 0.002 0.000 0.293 229 G HA3 0.229 4.190 3.960 0.002 0.000 0.293 229 G C 0.696 175.531 174.900 -0.109 0.000 1.297 229 G CA 0.047 45.173 45.100 0.043 0.000 0.853 229 G HN 0.433 nan 8.290 nan 0.000 0.535 230 T N -2.100 112.431 114.554 -0.038 0.000 2.881 230 T HA -0.185 4.166 4.350 0.002 0.000 0.270 230 T C 2.013 176.608 174.700 -0.175 0.000 1.068 230 T CA 2.557 64.608 62.100 -0.082 0.000 1.131 230 T CB -0.637 68.218 68.868 -0.022 0.000 0.871 230 T HN 1.137 nan 8.240 nan 0.000 0.479 231 H N 0.765 119.627 119.070 -0.347 0.000 2.421 231 H HA 0.140 4.697 4.556 0.001 0.000 0.298 231 H C 2.480 177.665 175.328 -0.238 0.000 1.087 231 H CA 1.182 56.941 56.048 -0.482 0.000 1.330 231 H CB -0.378 28.707 29.762 -1.129 0.000 1.388 231 H HN 0.280 nan 8.280 nan 0.000 0.526 232 R N -0.195 119.808 120.500 -0.828 0.000 2.115 232 R HA -0.070 4.271 4.340 0.002 0.000 0.226 232 R C 2.436 178.622 176.300 -0.191 0.000 1.100 232 R CA 1.304 57.106 56.100 -0.496 0.000 0.980 232 R CB -0.057 29.930 30.300 -0.523 0.000 0.875 232 R HN 0.363 nan 8.270 nan 0.000 0.445 233 Q N 0.467 120.162 119.800 -0.175 0.000 2.083 233 Q HA -0.018 4.323 4.340 0.002 0.000 0.198 233 Q C 1.718 177.669 176.000 -0.082 0.000 0.969 233 Q CA 1.532 57.276 55.803 -0.099 0.000 0.838 233 Q CB -0.067 28.619 28.738 -0.085 0.000 0.900 233 Q HN 0.326 nan 8.270 nan 0.000 0.436 234 I N -0.386 120.128 120.570 -0.093 0.000 2.208 234 I HA -0.299 3.872 4.170 0.002 0.000 0.245 234 I C 1.966 178.036 176.117 -0.077 0.000 1.097 234 I CA 1.483 62.727 61.300 -0.094 0.000 1.363 234 I CB -0.382 37.568 38.000 -0.084 0.000 1.051 234 I HN 0.286 nan 8.210 nan 0.000 0.413 235 Y N 1.429 121.634 120.300 -0.158 0.000 2.145 235 Y HA -0.280 4.272 4.550 0.003 0.000 0.286 235 Y C 2.822 178.644 175.900 -0.129 0.000 1.145 235 Y CA 1.732 59.746 58.100 -0.143 0.000 1.148 235 Y CB -0.206 38.178 38.460 -0.128 0.000 0.981 235 Y HN -0.051 nan 8.280 nan 0.000 0.507 236 R N 0.130 120.657 120.500 0.045 0.000 2.096 236 R HA -0.172 4.169 4.340 0.002 0.000 0.235 236 R C 1.822 178.058 176.300 -0.107 0.000 1.127 236 R CA 1.699 57.786 56.100 -0.021 0.000 0.968 236 R CB -0.220 30.084 30.300 0.007 0.000 0.861 236 R HN 0.385 nan 8.270 nan 0.000 0.440 237 N N 0.673 119.309 118.700 -0.107 0.000 2.106 237 N HA -0.143 4.598 4.740 0.002 0.000 0.188 237 N C 1.824 177.263 175.510 -0.118 0.000 1.029 237 N CA 1.184 54.173 53.050 -0.101 0.000 0.848 237 N CB -0.256 38.169 38.487 -0.104 0.000 1.007 237 N HN 0.239 nan 8.380 nan 0.000 0.423 238 L N 0.813 121.927 121.223 -0.181 0.000 2.156 238 L HA -0.075 4.266 4.340 0.002 0.000 0.208 238 L C 2.463 179.175 176.870 -0.264 0.000 1.095 238 L CA 0.826 55.547 54.840 -0.198 0.000 0.770 238 L CB -0.356 41.527 42.059 -0.295 0.000 0.914 238 L HN 0.191 nan 8.230 nan 0.000 0.439 239 Q N 0.187 119.768 119.800 -0.365 0.000 2.096 239 Q HA -0.287 4.054 4.340 0.002 0.000 0.204 239 Q C 2.077 177.972 176.000 -0.175 0.000 0.982 239 Q CA 1.880 57.480 55.803 -0.338 0.000 0.850 239 Q CB -0.008 28.492 28.738 -0.395 0.000 0.901 239 Q HN 0.527 nan 8.270 nan 0.000 0.422 240 E N -0.126 119.995 120.200 -0.131 0.000 2.077 240 E HA -0.179 4.172 4.350 0.002 0.000 0.193 240 E C 1.953 178.521 176.600 -0.053 0.000 0.989 240 E CA 0.888 57.243 56.400 -0.075 0.000 0.800 240 E CB 0.091 29.749 29.700 -0.070 0.000 0.746 240 E HN 0.228 nan 8.360 nan 0.000 0.452 241 I N 1.609 122.131 120.570 -0.081 0.000 2.226 241 I HA -0.231 3.940 4.170 0.002 0.000 0.245 241 I C 1.956 178.066 176.117 -0.012 0.000 1.100 241 I CA 1.054 62.306 61.300 -0.079 0.000 1.374 241 I CB -1.430 36.468 38.000 -0.169 0.000 1.057 241 I HN 0.187 nan 8.210 nan 0.000 0.413 242 N N 0.894 119.552 118.700 -0.071 0.000 2.104 242 N HA -0.147 4.594 4.740 0.002 0.000 0.190 242 N C 1.849 177.345 175.510 -0.023 0.000 1.024 242 N CA 1.817 54.827 53.050 -0.067 0.000 0.853 242 N CB -0.593 37.806 38.487 -0.147 0.000 1.008 242 N HN 0.329 nan 8.380 nan 0.000 0.424 243 T N 0.614 115.156 114.554 -0.019 0.000 2.684 243 T HA -0.153 4.198 4.350 0.002 0.000 0.267 243 T C 1.683 176.400 174.700 0.028 0.000 1.036 243 T CA 0.995 63.097 62.100 0.003 0.000 1.148 243 T CB -0.499 68.369 68.868 -0.001 0.000 0.863 243 T HN 0.274 nan 8.240 nan 0.000 0.436 244 F N 1.284 121.189 119.950 -0.075 0.000 2.134 244 F HA -0.026 4.502 4.527 0.001 0.000 0.299 244 F C 1.978 177.745 175.800 -0.055 0.000 1.097 244 F CA 1.037 58.986 58.000 -0.085 0.000 1.264 244 F CB -0.316 38.605 39.000 -0.131 0.000 1.001 244 F HN 0.077 nan 8.300 nan 0.000 0.479 245 I N 0.228 120.820 120.570 0.037 0.000 2.226 245 I HA -0.251 3.920 4.170 0.002 0.000 0.245 245 I C 2.780 178.862 176.117 -0.058 0.000 1.100 245 I CA 1.422 62.752 61.300 0.050 0.000 1.374 245 I CB -1.312 36.782 38.000 0.157 0.000 1.057 245 I HN 0.310 nan 8.210 nan 0.000 0.413 246 G N 0.038 108.813 108.800 -0.042 0.000 2.440 246 G HA2 -0.273 3.688 3.960 0.002 0.000 0.218 246 G HA3 -0.273 3.688 3.960 0.002 0.000 0.218 246 G C 1.571 176.449 174.900 -0.037 0.000 1.154 246 G CA 0.591 45.695 45.100 0.008 0.000 0.767 246 G HN 0.414 nan 8.290 nan 0.000 0.552 247 Q N 0.006 119.724 119.800 -0.137 0.000 2.079 247 Q HA -0.054 4.287 4.340 0.002 0.000 0.200 247 Q C 2.840 178.717 176.000 -0.205 0.000 0.974 247 Q CA 1.356 57.056 55.803 -0.173 0.000 0.840 247 Q CB -0.232 28.369 28.738 -0.227 0.000 0.898 247 Q HN 0.486 nan 8.270 nan 0.000 0.430 248 S N -0.097 115.394 115.700 -0.349 0.000 2.368 248 S HA -0.128 4.343 4.470 0.002 0.000 0.225 248 S C 1.999 176.652 174.600 0.088 0.000 1.030 248 S CA 0.972 59.047 58.200 -0.208 0.000 0.999 248 S CB -0.153 62.810 63.200 -0.395 0.000 0.844 248 S HN 0.210 nan 8.310 nan 0.000 0.459 249 V N 1.791 121.722 119.914 0.030 0.000 2.287 249 V HA -0.183 3.938 4.120 0.002 0.000 0.248 249 V C 2.421 178.586 176.094 0.119 0.000 1.053 249 V CA 2.279 64.624 62.300 0.075 0.000 1.027 249 V CB -0.831 31.033 31.823 0.067 0.000 0.646 249 V HN 0.558 nan 8.190 nan 0.000 0.447 250 E N -0.102 120.141 120.200 0.071 0.000 2.085 250 E HA -0.282 4.069 4.350 0.002 0.000 0.194 250 E C 2.284 178.914 176.600 0.051 0.000 0.994 250 E CA 1.491 57.921 56.400 0.051 0.000 0.801 250 E CB -0.198 29.509 29.700 0.011 0.000 0.743 250 E HN 0.525 nan 8.360 nan 0.000 0.453 251 K N 0.094 120.519 120.400 0.041 0.000 2.097 251 K HA -0.191 4.130 4.320 0.002 0.000 0.205 251 K C 1.923 178.539 176.600 0.027 0.000 1.050 251 K CA 1.372 57.666 56.287 0.012 0.000 0.938 251 K CB -0.020 32.459 32.500 -0.035 0.000 0.718 251 K HN 0.149 nan 8.250 nan 0.000 0.442 252 H N -0.267 118.813 119.070 0.017 0.000 2.321 252 H HA -0.103 4.454 4.556 0.002 0.000 0.300 252 H C 2.048 177.401 175.328 0.041 0.000 1.087 252 H CA 2.045 58.121 56.048 0.046 0.000 1.319 252 H CB -0.065 29.747 29.762 0.084 0.000 1.379 252 H HN 0.083 nan 8.280 nan 0.000 0.501 253 R N 1.286 121.889 120.500 0.172 0.000 2.091 253 R HA -0.067 4.274 4.340 0.002 0.000 0.238 253 R C 2.125 178.460 176.300 0.059 0.000 1.136 253 R CA 1.650 57.812 56.100 0.104 0.000 0.959 253 R CB -0.899 29.455 30.300 0.090 0.000 0.856 253 R HN 0.326 nan 8.270 nan 0.000 0.437 254 A N -0.926 121.918 122.820 0.041 0.000 2.066 254 A HA -0.048 4.273 4.320 0.002 0.000 0.218 254 A C 1.653 179.240 177.584 0.005 0.000 1.157 254 A CA 1.576 53.623 52.037 0.016 0.000 0.670 254 A CB -0.508 18.495 19.000 0.006 0.000 0.804 254 A HN 0.587 nan 8.150 nan 0.000 0.453 255 T N -3.250 111.304 114.554 -0.001 0.000 3.132 255 T HA 0.430 4.781 4.350 0.002 0.000 0.274 255 T C 0.158 174.854 174.700 -0.005 0.000 1.011 255 T CA -0.432 61.657 62.100 -0.018 0.000 0.899 255 T CB -0.404 68.431 68.868 -0.055 0.000 1.089 255 T HN 0.105 nan 8.240 nan 0.000 0.543 256 L N 2.920 124.154 121.223 0.019 0.000 2.453 256 L HA 0.482 4.823 4.340 0.002 0.000 0.272 256 L C -0.443 176.440 176.870 0.022 0.000 1.182 256 L CA 0.377 55.237 54.840 0.034 0.000 0.858 256 L CB 0.582 42.672 42.059 0.051 0.000 1.120 256 L HN 0.156 nan 8.230 nan 0.000 0.474 257 D N 5.944 126.358 120.400 0.024 0.000 2.454 257 D HA 0.387 5.028 4.640 0.002 0.000 0.247 257 D C -2.100 174.212 176.300 0.020 0.000 1.129 257 D CA -2.092 51.920 54.000 0.020 0.000 0.877 257 D CB 1.740 42.552 40.800 0.020 0.000 1.082 257 D HN 0.299 nan 8.370 nan 0.000 0.537 258 P HA -0.085 nan 4.420 nan 0.000 0.225 258 P C 0.940 178.244 177.300 0.008 0.000 1.148 258 P CA 0.820 63.923 63.100 0.004 0.000 0.779 258 P CB 0.229 31.930 31.700 0.001 0.000 0.780 259 S N -2.692 113.018 115.700 0.018 0.000 2.605 259 S HA 0.143 4.614 4.470 0.002 0.000 0.217 259 S C 0.712 175.339 174.600 0.044 0.000 0.958 259 S CA -0.175 58.041 58.200 0.027 0.000 0.919 259 S CB -0.793 62.420 63.200 0.021 0.000 0.780 259 S HN -0.048 nan 8.310 nan 0.000 0.507 260 N N 1.731 120.461 118.700 0.049 0.000 2.805 260 N HA 0.330 5.071 4.740 0.002 0.000 0.216 260 N C -3.390 172.168 175.510 0.080 0.000 1.447 260 N CA -1.163 51.931 53.050 0.074 0.000 0.785 260 N CB 1.089 39.609 38.487 0.055 0.000 1.458 260 N HN 0.069 nan 8.380 nan 0.000 0.547 261 P HA 0.213 nan 4.420 nan 0.000 0.271 261 P C 0.343 177.725 177.300 0.137 0.000 1.216 261 P CA -0.015 63.107 63.100 0.036 0.000 0.771 261 P CB 1.289 32.876 31.700 -0.188 0.000 0.864 262 R N 1.247 121.831 120.500 0.141 0.000 2.189 262 R HA 0.096 4.437 4.340 0.002 0.000 0.203 262 R C 0.174 176.605 176.300 0.218 0.000 1.012 262 R CA 0.822 57.025 56.100 0.170 0.000 1.015 262 R CB 0.033 30.421 30.300 0.146 0.000 0.938 262 R HN 0.665 nan 8.270 nan 0.000 0.472 263 D N -3.345 117.191 120.400 0.226 0.000 2.865 263 D HA -0.075 4.566 4.640 0.002 0.000 0.343 263 D C 0.026 176.461 176.300 0.225 0.000 1.372 263 D CA -0.784 53.370 54.000 0.256 0.000 0.862 263 D CB -0.331 40.650 40.800 0.300 0.000 1.425 263 D HN -0.193 nan 8.370 nan 0.000 0.501 264 F N 0.262 120.266 119.950 0.091 0.000 2.126 264 F HA 0.052 4.580 4.527 0.001 0.000 0.299 264 F C 1.897 177.775 175.800 0.130 0.000 1.096 264 F CA 1.497 59.559 58.000 0.103 0.000 1.255 264 F CB -0.119 38.920 39.000 0.065 0.000 0.997 264 F HN 0.355 nan 8.300 nan 0.000 0.479 265 I N -0.167 120.564 120.570 0.268 0.000 2.202 265 I HA -0.300 3.871 4.170 0.002 0.000 0.242 265 I C 2.021 178.198 176.117 0.100 0.000 1.091 265 I CA 1.466 62.818 61.300 0.088 0.000 1.368 265 I CB -0.571 37.241 38.000 -0.312 0.000 1.058 265 I HN 0.046 nan 8.210 nan 0.000 0.410 266 D N 0.561 121.043 120.400 0.138 0.000 2.104 266 D HA -0.153 4.488 4.640 0.002 0.000 0.194 266 D C 2.324 178.622 176.300 -0.003 0.000 0.994 266 D CA 1.217 55.285 54.000 0.113 0.000 0.830 266 D CB -0.344 40.525 40.800 0.115 0.000 0.959 266 D HN 0.112 nan 8.370 nan 0.000 0.452 267 V N 0.285 120.131 119.914 -0.113 0.000 2.343 267 V HA -0.270 3.851 4.120 0.002 0.000 0.247 267 V C 2.157 178.267 176.094 0.026 0.000 1.051 267 V CA 1.409 63.561 62.300 -0.247 0.000 1.036 267 V CB -0.664 30.818 31.823 -0.569 0.000 0.654 267 V HN 0.192 nan 8.190 nan 0.000 0.451 268 Y N 0.432 120.742 120.300 0.017 0.000 2.145 268 Y HA -0.207 4.343 4.550 0.001 0.000 0.286 268 Y C 2.267 178.117 175.900 -0.083 0.000 1.145 268 Y CA 1.547 59.594 58.100 -0.087 0.000 1.148 268 Y CB -0.299 38.105 38.460 -0.093 0.000 0.981 268 Y HN 0.119 nan 8.280 nan 0.000 0.507 269 L N -0.637 120.723 121.223 0.228 0.000 2.043 269 L HA -0.306 4.035 4.340 0.002 0.000 0.212 269 L C 2.406 179.298 176.870 0.037 0.000 1.075 269 L CA 1.529 56.460 54.840 0.151 0.000 0.752 269 L CB -0.763 41.372 42.059 0.125 0.000 0.891 269 L HN 0.294 nan 8.230 nan 0.000 0.432 270 L N -0.777 120.435 121.223 -0.018 0.000 2.083 270 L HA -0.199 4.142 4.340 0.002 0.000 0.209 270 L C 2.777 179.573 176.870 -0.125 0.000 1.083 270 L CA 0.857 55.656 54.840 -0.068 0.000 0.752 270 L CB -0.468 41.534 42.059 -0.094 0.000 0.899 270 L HN 0.217 nan 8.230 nan 0.000 0.433 271 R N 0.591 120.964 120.500 -0.212 0.000 2.092 271 R HA -0.110 4.231 4.340 0.002 0.000 0.231 271 R C 2.178 178.289 176.300 -0.314 0.000 1.119 271 R CA 1.598 57.470 56.100 -0.380 0.000 0.970 271 R CB -0.363 29.476 30.300 -0.767 0.000 0.864 271 R HN 0.232 nan 8.270 nan 0.000 0.440 272 M N -0.052 119.426 119.600 -0.202 0.000 2.117 272 M HA -0.153 4.328 4.480 0.002 0.000 0.262 272 M C 2.055 178.342 176.300 -0.022 0.000 1.065 272 M CA 2.097 57.369 55.300 -0.047 0.000 1.114 272 M CB -0.309 32.346 32.600 0.091 0.000 1.361 272 M HN 0.139 nan 8.290 nan 0.000 0.408 273 E N 1.069 121.252 120.200 -0.029 0.000 2.051 273 E HA -0.219 4.132 4.350 0.002 0.000 0.192 273 E C 1.804 178.380 176.600 -0.040 0.000 0.991 273 E CA 1.696 58.084 56.400 -0.020 0.000 0.799 273 E CB -0.184 29.506 29.700 -0.017 0.000 0.748 273 E HN 0.337 nan 8.360 nan 0.000 0.449 274 K N -0.406 119.948 120.400 -0.076 0.000 2.152 274 K HA -0.155 4.165 4.320 0.002 0.000 0.206 274 K C 0.522 177.081 176.600 -0.069 0.000 1.048 274 K CA 1.730 57.968 56.287 -0.082 0.000 0.933 274 K CB -0.006 32.421 32.500 -0.120 0.000 0.721 274 K HN 0.113 nan 8.250 nan 0.000 0.447 275 D N -0.017 120.341 120.400 -0.070 0.000 2.363 275 D HA -0.065 4.576 4.640 0.002 0.000 0.214 275 D C 1.223 177.526 176.300 0.006 0.000 1.093 275 D CA 0.201 54.181 54.000 -0.033 0.000 0.837 275 D CB 0.446 41.229 40.800 -0.029 0.000 0.948 275 D HN 0.234 nan 8.370 nan 0.000 0.507 276 K N 0.992 121.396 120.400 0.006 0.000 2.280 276 K HA -0.111 4.210 4.320 0.002 0.000 0.202 276 K C 1.457 178.073 176.600 0.026 0.000 1.047 276 K CA 1.247 57.550 56.287 0.025 0.000 0.942 276 K CB -0.469 32.044 32.500 0.022 0.000 0.739 276 K HN 0.131 nan 8.250 nan 0.000 0.457 277 S N 0.040 115.750 115.700 0.016 0.000 2.470 277 S HA -0.065 4.406 4.470 0.002 0.000 0.225 277 S C 0.537 175.151 174.600 0.023 0.000 1.006 277 S CA 0.212 58.422 58.200 0.016 0.000 0.934 277 S CB -0.197 63.008 63.200 0.009 0.000 0.778 277 S HN 0.320 nan 8.310 nan 0.000 0.517 278 D N 3.129 123.545 120.400 0.026 0.000 2.393 278 D HA 0.346 4.987 4.640 0.002 0.000 0.232 278 D C -1.922 174.408 176.300 0.049 0.000 1.192 278 D CA -2.412 51.608 54.000 0.032 0.000 0.882 278 D CB 1.540 42.357 40.800 0.028 0.000 1.038 278 D HN 0.088 nan 8.370 nan 0.000 0.499 279 P HA -0.068 nan 4.420 nan 0.000 0.226 279 P C 1.077 178.420 177.300 0.073 0.000 1.153 279 P CA 0.569 63.704 63.100 0.059 0.000 0.777 279 P CB 0.196 31.923 31.700 0.044 0.000 0.794 280 S N -2.279 113.458 115.700 0.063 0.000 2.558 280 S HA 0.062 4.533 4.470 0.002 0.000 0.217 280 S C 1.117 175.761 174.600 0.073 0.000 0.975 280 S CA -0.266 57.972 58.200 0.064 0.000 0.912 280 S CB -0.899 62.329 63.200 0.046 0.000 0.776 280 S HN 0.028 nan 8.310 nan 0.000 0.526 281 S N 1.245 116.995 115.700 0.084 0.000 2.560 281 S HA 0.104 4.575 4.470 0.002 0.000 0.284 281 S C 0.990 175.616 174.600 0.043 0.000 1.327 281 S CA -0.348 57.908 58.200 0.093 0.000 1.055 281 S CB 0.403 63.672 63.200 0.116 0.000 0.868 281 S HN 0.441 nan 8.310 nan 0.000 0.506 282 E N 3.248 123.383 120.200 -0.109 0.000 2.478 282 E HA 0.035 4.386 4.350 0.002 0.000 0.194 282 E C -0.367 175.754 176.600 -0.799 0.000 1.045 282 E CA 0.331 56.467 56.400 -0.440 0.000 0.868 282 E CB -0.018 29.369 29.700 -0.521 0.000 0.885 282 E HN 0.689 nan 8.360 nan 0.000 0.505 283 F N 2.385 122.134 119.950 -0.334 0.000 2.626 283 F HA 0.109 4.637 4.527 0.002 0.000 0.353 283 F C 0.687 176.427 175.800 -0.100 0.000 1.230 283 F CA -0.484 57.261 58.000 -0.426 0.000 1.298 283 F CB -0.436 38.151 39.000 -0.688 0.000 1.670 283 F HN -0.014 nan 8.300 nan 0.000 0.633 284 H N -3.541 115.654 119.070 0.209 0.000 2.824 284 H HA 0.360 4.918 4.556 0.003 0.000 0.345 284 H C 1.071 176.545 175.328 0.244 0.000 1.252 284 H CA -1.233 54.945 56.048 0.217 0.000 1.246 284 H CB 0.204 30.045 29.762 0.132 0.000 1.908 284 H HN 0.159 nan 8.280 nan 0.000 0.601 285 H N -0.482 118.775 119.070 0.311 0.000 2.319 285 H HA -0.175 4.382 4.556 0.001 0.000 0.299 285 H C 2.154 177.543 175.328 0.101 0.000 1.092 285 H CA 2.519 58.650 56.048 0.138 0.000 1.302 285 H CB 0.228 30.019 29.762 0.049 0.000 1.373 285 H HN 0.753 nan 8.280 nan 0.000 0.497 286 Q N -0.287 119.613 119.800 0.166 0.000 2.084 286 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 286 Q C 1.804 177.824 176.000 0.032 0.000 0.978 286 Q CA 1.565 57.343 55.803 -0.041 0.000 0.844 286 Q CB 0.031 28.583 28.738 -0.310 0.000 0.898 286 Q HN 0.460 nan 8.270 nan 0.000 0.426 287 N N 0.426 119.276 118.700 0.251 0.000 2.289 287 N HA -0.138 4.603 4.740 0.002 0.000 0.184 287 N C 1.599 177.072 175.510 -0.061 0.000 1.016 287 N CA 0.655 53.780 53.050 0.124 0.000 0.872 287 N CB -0.153 38.308 38.487 -0.043 0.000 0.973 287 N HN 0.253 nan 8.380 nan 0.000 0.433 288 L N 1.005 122.046 121.223 -0.304 0.000 2.023 288 L HA -0.011 4.330 4.340 0.002 0.000 0.205 288 L C 1.858 178.508 176.870 -0.367 0.000 1.073 288 L CA 1.336 55.731 54.840 -0.741 0.000 0.745 288 L CB -0.705 40.821 42.059 -0.888 0.000 0.900 288 L HN -0.032 nan 8.230 nan 0.000 0.435 289 I N -0.249 120.118 120.570 -0.338 0.000 2.163 289 I HA -0.290 3.881 4.170 0.002 0.000 0.243 289 I C 2.568 178.636 176.117 -0.083 0.000 1.085 289 I CA 1.555 62.722 61.300 -0.222 0.000 1.347 289 I CB -1.261 36.585 38.000 -0.257 0.000 1.044 289 I HN 0.299 nan 8.210 nan 0.000 0.408 290 L N -0.290 120.914 121.223 -0.032 0.000 2.313 290 L HA -0.106 4.235 4.340 0.002 0.000 0.214 290 L C 2.404 179.405 176.870 0.218 0.000 1.119 290 L CA 0.838 55.746 54.840 0.114 0.000 0.809 290 L CB -0.732 41.448 42.059 0.200 0.000 0.933 290 L HN 0.207 nan 8.230 nan 0.000 0.449 291 T N -0.631 113.995 114.554 0.120 0.000 2.812 291 T HA -0.107 4.244 4.350 0.002 0.000 0.264 291 T C 2.042 176.752 174.700 0.016 0.000 1.042 291 T CA 1.011 63.186 62.100 0.125 0.000 1.140 291 T CB -0.042 68.944 68.868 0.197 0.000 0.870 291 T HN 0.032 nan 8.240 nan 0.000 0.445 292 V N 1.635 121.527 119.914 -0.037 0.000 2.343 292 V HA -0.110 4.010 4.120 0.002 0.000 0.247 292 V C 2.407 178.563 176.094 0.103 0.000 1.051 292 V CA 1.239 63.485 62.300 -0.091 0.000 1.036 292 V CB -0.660 31.145 31.823 -0.030 0.000 0.654 292 V HN 0.314 nan 8.190 nan 0.000 0.451 293 L N 0.211 121.547 121.223 0.188 0.000 2.042 293 L HA -0.165 4.176 4.340 0.002 0.000 0.210 293 L C 2.562 179.705 176.870 0.456 0.000 1.076 293 L CA 2.237 57.257 54.840 0.300 0.000 0.749 293 L CB -0.731 41.410 42.059 0.137 0.000 0.893 293 L HN 0.292 nan 8.230 nan 0.000 0.432 294 S N -0.486 115.469 115.700 0.426 0.000 2.370 294 S HA -0.188 4.283 4.470 0.002 0.000 0.226 294 S C 1.914 176.668 174.600 0.257 0.000 1.033 294 S CA 1.772 60.194 58.200 0.370 0.000 1.011 294 S CB -0.493 62.827 63.200 0.200 0.000 0.852 294 S HN 0.469 nan 8.310 nan 0.000 0.457 295 L N -0.423 120.836 121.223 0.060 0.000 2.093 295 L HA -0.068 4.273 4.340 0.002 0.000 0.208 295 L C 2.115 178.943 176.870 -0.070 0.000 1.085 295 L CA 1.121 55.894 54.840 -0.111 0.000 0.755 295 L CB -0.559 41.265 42.059 -0.392 0.000 0.904 295 L HN 0.244 nan 8.230 nan 0.000 0.435 296 F N -0.866 119.148 119.950 0.108 0.000 2.146 296 F HA -0.205 4.323 4.527 0.001 0.000 0.298 296 F C 2.319 178.431 175.800 0.520 0.000 1.096 296 F CA 1.352 59.450 58.000 0.163 0.000 1.275 296 F CB -0.623 38.277 39.000 -0.167 0.000 1.008 296 F HN -0.068 nan 8.300 nan 0.000 0.480 297 F N 0.537 120.872 119.950 0.640 0.000 2.146 297 F HA -0.081 4.448 4.527 0.003 0.000 0.298 297 F C 2.277 178.346 175.800 0.449 0.000 1.096 297 F CA 1.382 59.777 58.000 0.657 0.000 1.275 297 F CB -0.599 38.728 39.000 0.546 0.000 1.008 297 F HN -0.100 nan 8.300 nan 0.000 0.480 298 A N -0.693 122.325 122.820 0.329 0.000 2.021 298 A HA 0.198 4.519 4.320 0.002 0.000 0.216 298 A C 2.250 179.874 177.584 0.066 0.000 1.163 298 A CA 1.054 53.150 52.037 0.098 0.000 0.676 298 A CB -1.325 17.725 19.000 0.083 0.000 0.818 298 A HN 0.443 nan 8.150 nan 0.000 0.453 299 G N -1.126 107.743 108.800 0.115 0.000 2.986 299 G HA2 0.182 4.143 3.960 0.002 0.000 0.213 299 G HA3 0.182 4.143 3.960 0.002 0.000 0.213 299 G C 1.326 176.308 174.900 0.137 0.000 1.156 299 G CA 1.469 46.620 45.100 0.085 0.000 0.763 299 G HN 0.591 nan 8.290 nan 0.000 0.547 300 T N -1.449 113.217 114.554 0.187 0.000 3.205 300 T HA 0.093 4.444 4.350 0.002 0.000 0.238 300 T C 1.897 176.703 174.700 0.176 0.000 0.974 300 T CA 1.020 63.296 62.100 0.292 0.000 1.246 300 T CB -0.021 69.178 68.868 0.551 0.000 1.007 300 T HN 0.079 nan 8.240 nan 0.000 0.414 301 E N 2.285 122.396 120.200 -0.147 0.000 2.038 301 E HA -0.177 4.173 4.350 0.002 0.000 0.195 301 E C 2.310 178.809 176.600 -0.168 0.000 1.000 301 E CA 2.839 59.016 56.400 -0.372 0.000 0.803 301 E CB -1.056 27.691 29.700 -1.588 0.000 0.750 301 E HN 0.740 nan 8.360 nan 0.000 0.448 302 T N -2.609 111.836 114.554 -0.182 0.000 2.708 302 T HA -0.151 4.200 4.350 0.002 0.000 0.266 302 T C 2.041 176.740 174.700 -0.002 0.000 1.037 302 T CA 1.957 64.000 62.100 -0.094 0.000 1.146 302 T CB -1.130 67.679 68.868 -0.098 0.000 0.865 302 T HN 0.146 nan 8.240 nan 0.000 0.435 303 T N 1.702 116.283 114.554 0.046 0.000 2.746 303 T HA -0.089 4.262 4.350 0.002 0.000 0.267 303 T C 2.320 177.055 174.700 0.057 0.000 1.039 303 T CA 1.497 63.645 62.100 0.079 0.000 1.142 303 T CB -0.699 68.240 68.868 0.118 0.000 0.866 303 T HN 0.519 nan 8.240 nan 0.000 0.444 304 S N 0.593 116.352 115.700 0.098 0.000 2.355 304 S HA -0.142 4.329 4.470 0.002 0.000 0.222 304 S C 2.221 176.898 174.600 0.128 0.000 1.031 304 S CA 1.774 60.046 58.200 0.119 0.000 0.993 304 S CB -0.771 62.599 63.200 0.283 0.000 0.859 304 S HN 0.531 nan 8.310 nan 0.000 0.453 305 T N 1.213 115.844 114.554 0.128 0.000 2.867 305 T HA -0.046 4.305 4.350 0.002 0.000 0.268 305 T C 1.847 176.659 174.700 0.187 0.000 1.057 305 T CA 1.703 63.892 62.100 0.148 0.000 1.136 305 T CB -0.708 68.210 68.868 0.084 0.000 0.874 305 T HN 0.491 nan 8.240 nan 0.000 0.466 306 T N 2.422 117.057 114.554 0.135 0.000 2.746 306 T HA 0.054 4.405 4.350 0.002 0.000 0.267 306 T C 1.956 176.827 174.700 0.285 0.000 1.039 306 T CA 0.838 63.059 62.100 0.202 0.000 1.142 306 T CB -0.395 68.558 68.868 0.141 0.000 0.866 306 T HN 0.263 nan 8.240 nan 0.000 0.444 307 L N 0.291 121.558 121.223 0.073 0.000 2.056 307 L HA -0.034 4.307 4.340 0.002 0.000 0.207 307 L C 2.852 179.950 176.870 0.380 0.000 1.078 307 L CA 1.279 56.053 54.840 -0.109 0.000 0.749 307 L CB -0.416 41.145 42.059 -0.830 0.000 0.901 307 L HN 0.122 nan 8.230 nan 0.000 0.433 308 R N -0.952 119.827 120.500 0.464 0.000 2.075 308 R HA -0.229 4.112 4.340 0.002 0.000 0.232 308 R C 2.468 179.137 176.300 0.616 0.000 1.126 308 R CA 1.589 58.097 56.100 0.681 0.000 0.963 308 R CB -0.371 30.200 30.300 0.453 0.000 0.858 308 R HN 0.238 nan 8.270 nan 0.000 0.435 309 Y N 0.367 120.867 120.300 0.332 0.000 2.181 309 Y HA -0.050 4.501 4.550 0.002 0.000 0.288 309 Y C 2.036 178.027 175.900 0.152 0.000 1.146 309 Y CA 1.724 59.947 58.100 0.205 0.000 1.164 309 Y CB -0.718 37.827 38.460 0.142 0.000 0.982 309 Y HN 0.152 nan 8.280 nan 0.000 0.515 310 G N -0.758 108.183 108.800 0.235 0.000 2.440 310 G HA2 -0.292 3.669 3.960 0.002 0.000 0.218 310 G HA3 -0.292 3.669 3.960 0.002 0.000 0.218 310 G C 1.507 176.293 174.900 -0.191 0.000 1.154 310 G CA 0.974 46.061 45.100 -0.022 0.000 0.767 310 G HN 0.430 nan 8.290 nan 0.000 0.552 311 F N -0.112 119.977 119.950 0.231 0.000 2.293 311 F HA 0.105 4.632 4.527 0.001 0.000 0.300 311 F C 2.356 178.071 175.800 -0.143 0.000 1.086 311 F CA 0.438 58.541 58.000 0.171 0.000 1.375 311 F CB -0.205 39.080 39.000 0.475 0.000 1.045 311 F HN 0.100 nan 8.300 nan 0.000 0.516 312 L N 0.023 121.122 121.223 -0.207 0.000 2.017 312 L HA -0.182 4.159 4.340 0.002 0.000 0.208 312 L C 2.077 178.633 176.870 -0.523 0.000 1.073 312 L CA 1.785 56.240 54.840 -0.642 0.000 0.745 312 L CB -0.846 40.811 42.059 -0.669 0.000 0.894 312 L HN 0.103 nan 8.230 nan 0.000 0.432 313 L N -1.484 119.389 121.223 -0.584 0.000 2.083 313 L HA -0.253 4.088 4.340 0.002 0.000 0.209 313 L C 2.527 179.139 176.870 -0.430 0.000 1.083 313 L CA 1.588 56.065 54.840 -0.605 0.000 0.752 313 L CB -0.423 41.077 42.059 -0.931 0.000 0.899 313 L HN 0.333 nan 8.230 nan 0.000 0.433 314 M N -0.910 118.470 119.600 -0.368 0.000 2.229 314 M HA -0.187 4.294 4.480 0.002 0.000 0.264 314 M C 2.168 178.378 176.300 -0.151 0.000 1.063 314 M CA 1.516 56.679 55.300 -0.229 0.000 1.114 314 M CB -0.171 32.274 32.600 -0.259 0.000 1.387 314 M HN 0.234 nan 8.290 nan 0.000 0.420 315 L N -0.299 120.808 121.223 -0.194 0.000 2.109 315 L HA -0.173 4.168 4.340 0.002 0.000 0.207 315 L C 2.485 179.189 176.870 -0.277 0.000 1.086 315 L CA 1.146 55.867 54.840 -0.198 0.000 0.760 315 L CB -0.480 41.440 42.059 -0.232 0.000 0.910 315 L HN 0.258 nan 8.230 nan 0.000 0.437 316 K N -0.206 119.948 120.400 -0.410 0.000 2.217 316 K HA -0.118 4.203 4.320 0.002 0.000 0.202 316 K C -0.143 175.998 176.600 -0.766 0.000 1.051 316 K CA 1.008 56.907 56.287 -0.647 0.000 0.952 316 K CB 0.195 32.166 32.500 -0.881 0.000 0.736 316 K HN 0.213 nan 8.250 nan 0.000 0.453 317 Y N -0.297 119.889 120.300 -0.189 0.000 2.658 317 Y HA 0.270 4.821 4.550 0.001 0.000 0.362 317 Y C -2.153 173.696 175.900 -0.084 0.000 1.017 317 Y CA -2.291 55.738 58.100 -0.119 0.000 1.134 317 Y CB 1.470 39.904 38.460 -0.043 0.000 1.144 317 Y HN 0.089 nan 8.280 nan 0.000 0.655 318 P HA -0.180 nan 4.420 nan 0.000 0.219 318 P C 0.888 178.262 177.300 0.122 0.000 1.146 318 P CA 1.834 64.934 63.100 0.000 0.000 0.808 318 P CB 0.155 31.818 31.700 -0.061 0.000 0.779 319 H N -1.616 117.516 119.070 0.102 0.000 2.423 319 H HA -0.055 4.502 4.556 0.002 0.000 0.297 319 H C 1.786 177.181 175.328 0.112 0.000 1.075 319 H CA 0.388 56.489 56.048 0.088 0.000 1.342 319 H CB -0.260 29.552 29.762 0.083 0.000 1.395 319 H HN -0.072 nan 8.280 nan 0.000 0.530 320 V N 0.432 120.524 119.914 0.298 0.000 2.307 320 V HA -0.244 3.877 4.120 0.002 0.000 0.245 320 V C 2.311 178.558 176.094 0.256 0.000 1.045 320 V CA 2.193 64.688 62.300 0.326 0.000 1.024 320 V CB -0.569 31.480 31.823 0.377 0.000 0.651 320 V HN 0.522 nan 8.190 nan 0.000 0.449 321 T N -0.257 114.393 114.554 0.160 0.000 2.720 321 T HA -0.244 4.107 4.350 0.002 0.000 0.268 321 T C 1.773 176.544 174.700 0.118 0.000 1.037 321 T CA 1.836 63.998 62.100 0.103 0.000 1.144 321 T CB -0.294 68.612 68.868 0.063 0.000 0.864 321 T HN 0.597 nan 8.240 nan 0.000 0.444 322 E N 0.746 121.020 120.200 0.123 0.000 2.085 322 E HA -0.116 4.235 4.350 0.002 0.000 0.194 322 E C 2.596 179.232 176.600 0.060 0.000 0.994 322 E CA 0.895 57.350 56.400 0.092 0.000 0.801 322 E CB -0.109 29.650 29.700 0.099 0.000 0.743 322 E HN 0.389 nan 8.360 nan 0.000 0.453 323 R N 0.323 120.853 120.500 0.050 0.000 2.092 323 R HA -0.091 4.250 4.340 0.002 0.000 0.231 323 R C 2.436 178.766 176.300 0.049 0.000 1.119 323 R CA 0.951 57.012 56.100 -0.065 0.000 0.970 323 R CB -0.277 29.813 30.300 -0.351 0.000 0.864 323 R HN 0.072 nan 8.270 nan 0.000 0.440 324 V N 1.356 121.396 119.914 0.209 0.000 2.295 324 V HA -0.284 3.837 4.120 0.002 0.000 0.246 324 V C 2.286 178.453 176.094 0.121 0.000 1.049 324 V CA 1.794 64.224 62.300 0.218 0.000 1.024 324 V CB -0.487 31.426 31.823 0.150 0.000 0.648 324 V HN 0.376 nan 8.190 nan 0.000 0.447 325 Q N -0.314 119.543 119.800 0.094 0.000 2.084 325 Q HA -0.268 4.073 4.340 0.002 0.000 0.202 325 Q C 2.373 178.402 176.000 0.049 0.000 0.978 325 Q CA 1.832 57.677 55.803 0.071 0.000 0.844 325 Q CB -0.247 28.534 28.738 0.072 0.000 0.898 325 Q HN 0.589 nan 8.270 nan 0.000 0.426 326 K N 1.074 121.495 120.400 0.035 0.000 2.063 326 K HA -0.241 4.080 4.320 0.002 0.000 0.208 326 K C 1.917 178.532 176.600 0.024 0.000 1.048 326 K CA 1.544 57.839 56.287 0.013 0.000 0.928 326 K CB 0.024 32.512 32.500 -0.019 0.000 0.713 326 K HN 0.153 nan 8.250 nan 0.000 0.442 327 E N 0.349 120.576 120.200 0.046 0.000 2.072 327 E HA -0.157 4.193 4.350 0.002 0.000 0.191 327 E C 2.004 178.652 176.600 0.081 0.000 0.985 327 E CA 1.069 57.512 56.400 0.072 0.000 0.801 327 E CB -0.023 29.754 29.700 0.129 0.000 0.750 327 E HN 0.341 nan 8.360 nan 0.000 0.452 328 I N 0.965 121.583 120.570 0.079 0.000 2.163 328 I HA -0.283 3.888 4.170 0.002 0.000 0.243 328 I C 2.568 178.713 176.117 0.046 0.000 1.085 328 I CA 1.403 62.742 61.300 0.065 0.000 1.347 328 I CB -0.265 37.764 38.000 0.049 0.000 1.044 328 I HN 0.146 nan 8.210 nan 0.000 0.408 329 E N 1.108 121.327 120.200 0.031 0.000 2.051 329 E HA -0.271 4.080 4.350 0.002 0.000 0.192 329 E C 2.136 178.749 176.600 0.022 0.000 0.991 329 E CA 1.699 58.108 56.400 0.015 0.000 0.799 329 E CB -0.147 29.556 29.700 0.005 0.000 0.748 329 E HN 0.419 nan 8.360 nan 0.000 0.449 330 Q N -0.896 118.921 119.800 0.028 0.000 2.084 330 Q HA -0.080 4.261 4.340 0.002 0.000 0.202 330 Q C 2.122 178.145 176.000 0.040 0.000 0.978 330 Q CA 1.760 57.581 55.803 0.029 0.000 0.844 330 Q CB 0.184 28.937 28.738 0.025 0.000 0.898 330 Q HN 0.217 nan 8.270 nan 0.000 0.426 331 V N -0.664 119.283 119.914 0.054 0.000 2.672 331 V HA -0.048 4.073 4.120 0.002 0.000 0.242 331 V C 1.733 177.867 176.094 0.067 0.000 1.059 331 V CA 1.076 63.415 62.300 0.065 0.000 1.081 331 V CB 0.022 31.898 31.823 0.089 0.000 0.752 331 V HN 0.285 nan 8.190 nan 0.000 0.472 332 I N -0.853 119.758 120.570 0.069 0.000 3.039 332 I HA 0.474 4.645 4.170 0.002 0.000 0.270 332 I C 1.335 177.482 176.117 0.050 0.000 1.150 332 I CA 0.993 62.334 61.300 0.067 0.000 1.448 332 I CB -0.005 38.038 38.000 0.072 0.000 1.197 332 I HN 0.463 nan 8.210 nan 0.000 0.450 333 G N 1.308 110.126 108.800 0.031 0.000 2.627 333 G HA2 -0.258 3.703 3.960 0.002 0.000 0.214 333 G HA3 -0.258 3.703 3.960 0.002 0.000 0.214 333 G C 0.452 175.327 174.900 -0.043 0.000 1.331 333 G CA 0.033 45.136 45.100 0.005 0.000 0.891 333 G HN 0.357 nan 8.290 nan 0.000 0.539 334 S N -1.757 113.855 115.700 -0.146 0.000 2.524 334 S HA 0.295 4.766 4.470 0.002 0.000 0.215 334 S C 1.301 175.730 174.600 -0.285 0.000 0.986 334 S CA 1.166 59.217 58.200 -0.249 0.000 0.911 334 S CB 0.133 63.122 63.200 -0.352 0.000 0.805 334 S HN 0.806 nan 8.310 nan 0.000 0.501 335 H N 2.093 121.168 119.070 0.008 0.000 2.315 335 H HA 0.339 4.895 4.556 0.001 0.000 0.318 335 H C 1.003 176.338 175.328 0.012 0.000 1.068 335 H CA 0.188 56.240 56.048 0.008 0.000 1.465 335 H CB 0.085 29.854 29.762 0.011 0.000 1.475 335 H HN 0.375 nan 8.280 nan 0.000 0.597 336 R N 2.384 122.976 120.500 0.153 0.000 2.594 336 R HA 0.228 4.569 4.340 0.002 0.000 0.272 336 R C -2.754 173.587 176.300 0.068 0.000 1.074 336 R CA -1.782 54.374 56.100 0.094 0.000 1.105 336 R CB -0.156 30.191 30.300 0.079 0.000 1.008 336 R HN 0.010 nan 8.270 nan 0.000 0.472 337 P HA 0.184 nan 4.420 nan 0.000 0.271 337 P C -2.444 174.890 177.300 0.057 0.000 1.216 337 P CA -1.455 61.677 63.100 0.052 0.000 0.776 337 P CB 0.141 31.871 31.700 0.051 0.000 0.881 338 P HA 0.180 nan 4.420 nan 0.000 0.266 338 P C -0.742 176.625 177.300 0.110 0.000 1.193 338 P CA 0.577 63.722 63.100 0.076 0.000 0.770 338 P CB 0.320 32.013 31.700 -0.012 0.000 0.836 339 A N 2.017 124.943 122.820 0.177 0.000 2.469 339 A HA 0.411 4.732 4.320 0.002 0.000 0.299 339 A C 0.625 178.334 177.584 0.208 0.000 1.098 339 A CA -0.523 51.602 52.037 0.146 0.000 0.737 339 A CB 0.673 19.723 19.000 0.083 0.000 1.312 339 A HN 0.496 nan 8.150 nan 0.000 0.414 340 L N 0.235 121.524 121.223 0.110 0.000 2.131 340 L HA -0.094 4.247 4.340 0.002 0.000 0.210 340 L C 1.413 178.221 176.870 -0.102 0.000 1.092 340 L CA 2.379 57.222 54.840 0.006 0.000 0.759 340 L CB -0.609 41.431 42.059 -0.031 0.000 0.903 340 L HN 0.812 nan 8.230 nan 0.000 0.435 341 D N -0.102 120.279 120.400 -0.032 0.000 2.228 341 D HA -0.197 4.444 4.640 0.002 0.000 0.203 341 D C 1.673 177.949 176.300 -0.040 0.000 0.988 341 D CA 1.281 55.257 54.000 -0.040 0.000 0.864 341 D CB -0.146 40.651 40.800 -0.004 0.000 0.928 341 D HN 0.461 nan 8.370 nan 0.000 0.469 342 D N -0.308 120.107 120.400 0.024 0.000 2.219 342 D HA -0.119 4.522 4.640 0.002 0.000 0.205 342 D C 1.982 178.266 176.300 -0.027 0.000 0.970 342 D CA 0.327 54.382 54.000 0.092 0.000 0.851 342 D CB -0.069 40.900 40.800 0.280 0.000 0.943 342 D HN 0.271 nan 8.370 nan 0.000 0.488 343 R N 1.034 121.270 120.500 -0.440 0.000 2.081 343 R HA -0.108 4.232 4.340 0.002 0.000 0.235 343 R C 2.105 178.250 176.300 -0.260 0.000 1.131 343 R CA 1.445 57.097 56.100 -0.746 0.000 0.960 343 R CB -0.123 29.414 30.300 -1.272 0.000 0.856 343 R HN 0.058 nan 8.270 nan 0.000 0.436 344 A N 0.905 123.614 122.820 -0.184 0.000 2.070 344 A HA -0.133 4.188 4.320 0.002 0.000 0.220 344 A C 1.606 179.168 177.584 -0.036 0.000 1.159 344 A CA 1.382 53.365 52.037 -0.091 0.000 0.656 344 A CB -0.159 18.797 19.000 -0.073 0.000 0.800 344 A HN 0.349 nan 8.150 nan 0.000 0.453 345 K N -1.262 119.130 120.400 -0.014 0.000 2.417 345 K HA 0.302 4.623 4.320 0.002 0.000 0.196 345 K C -0.167 176.469 176.600 0.060 0.000 1.023 345 K CA 0.182 56.484 56.287 0.024 0.000 1.122 345 K CB 0.220 32.740 32.500 0.033 0.000 0.850 345 K HN 0.438 nan 8.250 nan 0.000 0.521 346 M N 1.448 121.091 119.600 0.073 0.000 2.693 346 M HA 0.151 4.632 4.480 0.002 0.000 0.224 346 M C -2.097 174.278 176.300 0.123 0.000 1.149 346 M CA -1.512 53.871 55.300 0.138 0.000 0.622 346 M CB 1.356 34.107 32.600 0.251 0.000 1.443 346 M HN -0.168 nan 8.290 nan 0.000 0.431 347 P HA -0.178 nan 4.420 nan 0.000 0.221 347 P C 1.134 178.485 177.300 0.084 0.000 1.150 347 P CA 1.301 64.438 63.100 0.062 0.000 0.800 347 P CB 0.107 31.836 31.700 0.049 0.000 0.787 348 Y N 1.613 121.932 120.300 0.031 0.000 2.163 348 Y HA -0.159 4.393 4.550 0.002 0.000 0.288 348 Y C 2.374 178.298 175.900 0.040 0.000 1.136 348 Y CA 2.241 60.356 58.100 0.024 0.000 1.147 348 Y CB -1.144 37.329 38.460 0.022 0.000 0.987 348 Y HN -0.115 nan 8.280 nan 0.000 0.509 349 T N -0.033 114.587 114.554 0.109 0.000 2.746 349 T HA -0.207 4.144 4.350 0.002 0.000 0.267 349 T C 1.539 176.260 174.700 0.035 0.000 1.039 349 T CA 1.640 63.775 62.100 0.060 0.000 1.142 349 T CB -0.485 68.509 68.868 0.210 0.000 0.866 349 T HN 0.374 nan 8.240 nan 0.000 0.444 350 D N 1.108 121.565 120.400 0.095 0.000 2.123 350 D HA -0.047 4.594 4.640 0.002 0.000 0.196 350 D C 2.289 178.608 176.300 0.032 0.000 0.992 350 D CA 1.313 55.376 54.000 0.106 0.000 0.833 350 D CB -0.378 40.460 40.800 0.063 0.000 0.954 350 D HN 0.359 nan 8.370 nan 0.000 0.455 351 A N 0.051 122.792 122.820 -0.132 0.000 1.933 351 A HA -0.126 4.195 4.320 0.002 0.000 0.218 351 A C 2.625 180.050 177.584 -0.265 0.000 1.175 351 A CA 1.568 53.469 52.037 -0.226 0.000 0.628 351 A CB -0.777 18.123 19.000 -0.166 0.000 0.814 351 A HN 0.206 nan 8.150 nan 0.000 0.444 352 V N 0.275 119.990 119.914 -0.332 0.000 2.295 352 V HA -0.288 3.833 4.120 0.002 0.000 0.246 352 V C 2.427 178.441 176.094 -0.132 0.000 1.049 352 V CA 2.130 64.271 62.300 -0.266 0.000 1.024 352 V CB -0.676 30.956 31.823 -0.317 0.000 0.648 352 V HN 0.590 nan 8.190 nan 0.000 0.447 353 I N -0.705 119.797 120.570 -0.113 0.000 2.226 353 I HA -0.276 3.895 4.170 0.002 0.000 0.245 353 I C 2.477 178.549 176.117 -0.074 0.000 1.100 353 I CA 1.769 63.048 61.300 -0.034 0.000 1.374 353 I CB -0.605 37.457 38.000 0.103 0.000 1.057 353 I HN 0.358 nan 8.210 nan 0.000 0.413 354 H N 0.186 119.026 119.070 -0.384 0.000 2.319 354 H HA -0.239 4.318 4.556 0.002 0.000 0.297 354 H C 2.170 177.200 175.328 -0.497 0.000 1.097 354 H CA 1.975 57.532 56.048 -0.818 0.000 1.285 354 H CB -0.132 28.380 29.762 -2.084 0.000 1.368 354 H HN 0.253 nan 8.280 nan 0.000 0.495 355 E N 0.590 120.658 120.200 -0.220 0.000 2.106 355 E HA -0.095 4.256 4.350 0.002 0.000 0.192 355 E C 2.065 178.835 176.600 0.283 0.000 0.984 355 E CA 0.865 57.334 56.400 0.115 0.000 0.806 355 E CB -0.322 29.342 29.700 -0.059 0.000 0.750 355 E HN 0.481 nan 8.360 nan 0.000 0.458 356 I N 0.617 121.361 120.570 0.291 0.000 2.127 356 I HA -0.364 3.807 4.170 0.002 0.000 0.241 356 I C 2.535 178.836 176.117 0.306 0.000 1.075 356 I CA 1.619 63.117 61.300 0.330 0.000 1.334 356 I CB -0.388 37.713 38.000 0.167 0.000 1.040 356 I HN 0.230 nan 8.210 nan 0.000 0.405 357 Q N -0.020 119.901 119.800 0.202 0.000 2.135 357 Q HA -0.250 4.091 4.340 0.002 0.000 0.204 357 Q C 2.370 178.403 176.000 0.056 0.000 0.981 357 Q CA 1.415 57.281 55.803 0.105 0.000 0.856 357 Q CB -0.267 28.527 28.738 0.094 0.000 0.902 357 Q HN 0.459 nan 8.270 nan 0.000 0.425 358 R N 0.498 121.101 120.500 0.171 0.000 2.062 358 R HA -0.137 4.204 4.340 0.002 0.000 0.231 358 R C 2.223 178.481 176.300 -0.069 0.000 1.136 358 R CA 1.020 57.144 56.100 0.040 0.000 0.948 358 R CB -0.227 30.127 30.300 0.090 0.000 0.845 358 R HN 0.187 nan 8.270 nan 0.000 0.430 359 L N 0.654 121.937 121.223 0.099 0.000 2.141 359 L HA 0.040 4.381 4.340 0.002 0.000 0.209 359 L C 2.144 179.062 176.870 0.081 0.000 1.094 359 L CA 1.963 56.913 54.840 0.182 0.000 0.763 359 L CB -0.772 41.533 42.059 0.409 0.000 0.908 359 L HN 0.347 nan 8.230 nan 0.000 0.437 360 G N -1.210 107.575 108.800 -0.025 0.000 2.446 360 G HA2 -0.329 3.632 3.960 0.002 0.000 0.217 360 G HA3 -0.329 3.632 3.960 0.002 0.000 0.217 360 G C 0.557 175.272 174.900 -0.308 0.000 1.168 360 G CA 0.800 45.586 45.100 -0.524 0.000 0.771 360 G HN 0.533 nan 8.290 nan 0.000 0.551 361 D N -1.533 118.770 120.400 -0.162 0.000 2.697 361 D HA -0.123 4.518 4.640 0.002 0.000 0.238 361 D C 1.151 177.373 176.300 -0.129 0.000 1.152 361 D CA 0.097 54.034 54.000 -0.104 0.000 0.666 361 D CB -1.122 39.714 40.800 0.060 0.000 1.037 361 D HN 0.107 nan 8.370 nan 0.000 0.423 362 L N 0.159 121.276 121.223 -0.177 0.000 2.478 362 L HA 0.232 4.573 4.340 0.002 0.000 0.223 362 L C 1.292 178.056 176.870 -0.175 0.000 1.140 362 L CA 0.959 55.699 54.840 -0.167 0.000 0.842 362 L CB -0.019 41.944 42.059 -0.160 0.000 0.953 362 L HN 0.425 nan 8.230 nan 0.000 0.452 363 I N 0.949 121.401 120.570 -0.197 0.000 2.833 363 I HA 0.151 4.322 4.170 0.002 0.000 0.286 363 I C -1.448 174.534 176.117 -0.225 0.000 1.287 363 I CA -0.771 60.385 61.300 -0.240 0.000 1.046 363 I CB 1.342 39.208 38.000 -0.224 0.000 1.612 363 I HN -0.089 nan 8.210 nan 0.000 0.585 364 P HA -0.102 nan 4.420 nan 0.000 0.221 364 P C 0.879 178.250 177.300 0.118 0.000 1.150 364 P CA 1.309 64.403 63.100 -0.010 0.000 0.800 364 P CB -0.017 31.738 31.700 0.091 0.000 0.787 365 F N -1.732 118.305 119.950 0.146 0.000 2.708 365 F HA 0.704 5.232 4.527 0.001 0.000 0.300 365 F C 0.877 176.745 175.800 0.113 0.000 1.118 365 F CA -0.717 57.419 58.000 0.228 0.000 1.307 365 F CB -0.459 38.840 39.000 0.499 0.000 0.986 365 F HN 0.044 nan 8.300 nan 0.000 0.522 366 G N 0.617 109.377 108.800 -0.067 0.000 2.698 366 G HA2 -0.104 3.857 3.960 0.002 0.000 0.233 366 G HA3 -0.104 3.857 3.960 0.002 0.000 0.233 366 G C -1.063 173.740 174.900 -0.161 0.000 1.352 366 G CA -0.512 44.532 45.100 -0.093 0.000 0.879 366 G HN 0.472 nan 8.290 nan 0.000 0.567 367 V N 2.456 122.303 119.914 -0.113 0.000 2.459 367 V HA 0.580 4.700 4.120 0.002 0.000 0.295 367 V C -1.619 174.388 176.094 -0.146 0.000 1.029 367 V CA -1.072 61.148 62.300 -0.135 0.000 0.874 367 V CB 1.839 33.584 31.823 -0.130 0.000 0.985 367 V HN 0.781 nan 8.190 nan 0.000 0.438 368 P HA 0.167 nan 4.420 nan 0.000 0.268 368 P C -0.491 176.752 177.300 -0.096 0.000 1.205 368 P CA 0.285 63.176 63.100 -0.348 0.000 0.771 368 P CB 0.490 31.959 31.700 -0.384 0.000 0.858 369 H N 0.063 119.042 119.070 -0.152 0.000 2.630 369 H HA 0.543 5.100 4.556 0.002 0.000 0.343 369 H C 0.378 175.669 175.328 -0.062 0.000 1.232 369 H CA -0.431 55.554 56.048 -0.105 0.000 1.294 369 H CB 2.109 31.842 29.762 -0.049 0.000 1.746 369 H HN 0.433 nan 8.280 nan 0.000 0.593 370 T N -1.786 112.783 114.554 0.025 0.000 2.883 370 T HA 0.421 4.772 4.350 0.002 0.000 0.296 370 T C -0.220 174.421 174.700 -0.098 0.000 1.117 370 T CA -1.009 61.074 62.100 -0.029 0.000 1.006 370 T CB 1.156 69.986 68.868 -0.063 0.000 1.191 370 T HN 0.419 nan 8.240 nan 0.000 0.508 371 V N 0.288 120.086 119.914 -0.194 0.000 2.649 371 V HA 0.552 4.672 4.120 0.002 0.000 0.292 371 V C 1.292 177.267 176.094 -0.199 0.000 1.055 371 V CA 0.132 62.233 62.300 -0.332 0.000 1.023 371 V CB 0.517 32.047 31.823 -0.489 0.000 0.992 371 V HN 1.200 nan 8.190 nan 0.000 0.480 372 T N -0.054 114.392 114.554 -0.179 0.000 3.081 372 T HA 0.245 4.596 4.350 0.002 0.000 0.250 372 T C 0.383 175.034 174.700 -0.082 0.000 1.100 372 T CA 0.507 62.546 62.100 -0.101 0.000 1.038 372 T CB -0.414 68.417 68.868 -0.062 0.000 0.962 372 T HN 1.005 nan 8.240 nan 0.000 0.516 373 K N -0.420 119.916 120.400 -0.108 0.000 2.579 373 K HA 0.473 4.794 4.320 0.002 0.000 0.284 373 K C -2.090 174.456 176.600 -0.090 0.000 0.990 373 K CA -1.098 55.144 56.287 -0.075 0.000 0.880 373 K CB 0.637 33.106 32.500 -0.053 0.000 1.488 373 K HN -0.264 nan 8.250 nan 0.000 0.425 374 D N 1.639 122.006 120.400 -0.055 0.000 2.487 374 D HA 0.107 4.748 4.640 0.002 0.000 0.243 374 D C -0.666 175.607 176.300 -0.045 0.000 1.154 374 D CA 0.673 54.647 54.000 -0.043 0.000 0.876 374 D CB 0.847 41.639 40.800 -0.014 0.000 1.161 374 D HN 0.424 nan 8.370 nan 0.000 0.478 375 T N 2.491 117.015 114.554 -0.050 0.000 2.848 375 T HA 0.255 4.606 4.350 0.002 0.000 0.285 375 T C -0.054 174.690 174.700 0.073 0.000 0.995 375 T CA -0.651 61.423 62.100 -0.043 0.000 0.970 375 T CB 1.701 70.430 68.868 -0.231 0.000 0.976 375 T HN 0.152 nan 8.240 nan 0.000 0.441 376 Q N 2.352 122.221 119.800 0.116 0.000 2.294 376 Q HA 0.609 4.950 4.340 0.002 0.000 0.257 376 Q C -1.549 174.628 176.000 0.295 0.000 0.955 376 Q CA -0.299 55.600 55.803 0.159 0.000 0.936 376 Q CB 0.419 29.215 28.738 0.097 0.000 1.188 376 Q HN 0.578 nan 8.270 nan 0.000 0.420 377 F N 3.416 123.441 119.950 0.125 0.000 2.730 377 F HA 0.366 4.895 4.527 0.002 0.000 0.335 377 F C -0.503 175.378 175.800 0.135 0.000 1.212 377 F CA -0.540 57.564 58.000 0.173 0.000 1.016 377 F CB 0.895 40.075 39.000 0.301 0.000 1.290 377 F HN 0.682 nan 8.300 nan 0.000 0.495 378 R N 3.926 124.153 120.500 -0.456 0.000 3.502 378 R HA -0.226 4.115 4.340 0.002 0.000 0.266 378 R C 1.058 177.052 176.300 -0.509 0.000 1.077 378 R CA 1.106 56.932 56.100 -0.456 0.000 0.718 378 R CB -1.756 28.248 30.300 -0.493 0.000 1.120 378 R HN 1.541 nan 8.270 nan 0.000 0.457 379 G N -2.214 106.377 108.800 -0.349 0.000 2.195 379 G HA2 -0.359 3.602 3.960 0.002 0.000 0.246 379 G HA3 -0.359 3.602 3.960 0.002 0.000 0.246 379 G C -0.094 174.598 174.900 -0.345 0.000 0.984 379 G CA 0.462 45.334 45.100 -0.380 0.000 0.633 379 G HN 0.351 nan 8.290 nan 0.000 0.525 380 Y N -0.437 119.903 120.300 0.066 0.000 2.453 380 Y HA 0.670 5.221 4.550 0.002 0.000 0.326 380 Y C 0.564 176.528 175.900 0.108 0.000 1.186 380 Y CA -1.276 56.881 58.100 0.095 0.000 1.200 380 Y CB 1.744 40.283 38.460 0.130 0.000 1.247 380 Y HN 0.062 nan 8.280 nan 0.000 0.482 381 V N 3.810 123.872 119.914 0.247 0.000 2.417 381 V HA 0.369 4.489 4.120 0.002 0.000 0.291 381 V C -0.336 175.830 176.094 0.121 0.000 1.024 381 V CA -0.848 61.544 62.300 0.153 0.000 0.861 381 V CB 1.248 33.127 31.823 0.094 0.000 0.985 381 V HN 0.545 nan 8.190 nan 0.000 0.436 382 I N 7.418 128.038 120.570 0.083 0.000 2.328 382 I HA 0.345 4.516 4.170 0.002 0.000 0.287 382 I C -2.323 173.773 176.117 -0.034 0.000 1.012 382 I CA -2.000 59.306 61.300 0.011 0.000 1.195 382 I CB 1.730 39.714 38.000 -0.025 0.000 1.350 382 I HN 0.402 nan 8.210 nan 0.000 0.464 383 P HA -0.048 nan 4.420 nan 0.000 0.268 383 P C -0.399 176.864 177.300 -0.062 0.000 1.208 383 P CA -0.401 62.679 63.100 -0.032 0.000 0.777 383 P CB 0.490 32.178 31.700 -0.019 0.000 0.875 384 K N 3.033 123.399 120.400 -0.057 0.000 2.530 384 K HA -0.156 4.165 4.320 0.002 0.000 0.280 384 K C 0.338 176.900 176.600 -0.063 0.000 1.004 384 K CA 0.567 56.814 56.287 -0.067 0.000 1.071 384 K CB -0.424 32.048 32.500 -0.046 0.000 0.876 384 K HN 0.432 nan 8.250 nan 0.000 0.487 385 N N 0.849 119.503 118.700 -0.077 0.000 2.965 385 N HA -0.154 4.587 4.740 0.002 0.000 0.232 385 N C -0.964 174.510 175.510 -0.060 0.000 0.913 385 N CA 1.503 54.516 53.050 -0.062 0.000 0.981 385 N CB -1.699 36.763 38.487 -0.042 0.000 1.077 385 N HN 0.674 nan 8.380 nan 0.000 0.589 386 T N 2.219 116.728 114.554 -0.075 0.000 2.928 386 T HA 0.113 4.464 4.350 0.002 0.000 0.305 386 T C 0.743 175.411 174.700 -0.053 0.000 1.035 386 T CA 0.145 62.200 62.100 -0.076 0.000 1.145 386 T CB 0.887 69.699 68.868 -0.094 0.000 0.963 386 T HN 0.063 nan 8.240 nan 0.000 0.545 387 E N 1.330 121.518 120.200 -0.021 0.000 2.366 387 E HA 0.431 4.782 4.350 0.002 0.000 0.266 387 E C -0.713 175.941 176.600 0.090 0.000 1.051 387 E CA -0.516 55.923 56.400 0.065 0.000 0.884 387 E CB 0.859 30.650 29.700 0.151 0.000 1.006 387 E HN 0.243 nan 8.360 nan 0.000 0.417 388 V N 3.526 123.550 119.914 0.183 0.000 2.623 388 V HA 0.270 4.391 4.120 0.002 0.000 0.304 388 V C -1.270 174.992 176.094 0.281 0.000 1.054 388 V CA -0.803 61.593 62.300 0.160 0.000 0.882 388 V CB 0.971 32.873 31.823 0.130 0.000 1.002 388 V HN 0.507 nan 8.190 nan 0.000 0.424 389 F N 6.062 125.905 119.950 -0.177 0.000 2.361 389 F HA 0.545 5.072 4.527 0.001 0.000 0.364 389 F C -2.263 173.428 175.800 -0.183 0.000 1.117 389 F CA -3.266 54.658 58.000 -0.126 0.000 1.071 389 F CB 1.672 40.558 39.000 -0.191 0.000 1.188 389 F HN 0.258 nan 8.300 nan 0.000 0.464 390 P HA 0.143 nan 4.420 nan 0.000 0.286 390 P C -0.267 177.044 177.300 0.017 0.000 1.321 390 P CA -0.190 62.851 63.100 -0.098 0.000 0.790 390 P CB 0.978 32.547 31.700 -0.218 0.000 0.897 391 V N 6.073 126.016 119.914 0.048 0.000 2.229 391 V HA 0.007 4.128 4.120 0.002 0.000 0.245 391 V C 1.999 178.162 176.094 0.116 0.000 1.243 391 V CA 0.286 62.682 62.300 0.159 0.000 1.176 391 V CB -0.852 31.089 31.823 0.197 0.000 1.323 391 V HN 0.539 nan 8.190 nan 0.000 0.499 392 L N 2.156 123.421 121.223 0.071 0.000 2.129 392 L HA -0.178 4.163 4.340 0.002 0.000 0.212 392 L C 2.587 179.493 176.870 0.060 0.000 1.087 392 L CA 1.697 56.547 54.840 0.017 0.000 0.757 392 L CB -0.513 41.512 42.059 -0.056 0.000 0.896 392 L HN 0.691 nan 8.230 nan 0.000 0.434 393 S N -0.030 115.746 115.700 0.127 0.000 2.387 393 S HA -0.214 4.257 4.470 0.002 0.000 0.230 393 S C 2.231 177.010 174.600 0.298 0.000 1.035 393 S CA 1.807 60.141 58.200 0.224 0.000 1.014 393 S CB -0.183 63.166 63.200 0.250 0.000 0.836 393 S HN 0.663 nan 8.310 nan 0.000 0.466 394 S N 0.794 116.629 115.700 0.224 0.000 2.428 394 S HA 0.195 4.666 4.470 0.002 0.000 0.230 394 S C 1.967 176.696 174.600 0.215 0.000 1.014 394 S CA 0.824 59.157 58.200 0.222 0.000 0.957 394 S CB -0.525 62.787 63.200 0.186 0.000 0.784 394 S HN 0.618 nan 8.310 nan 0.000 0.499 395 A N 2.038 124.960 122.820 0.170 0.000 1.898 395 A HA 0.339 4.660 4.320 0.002 0.000 0.214 395 A C 2.220 179.955 177.584 0.251 0.000 1.183 395 A CA 0.860 53.006 52.037 0.181 0.000 0.622 395 A CB -0.741 18.314 19.000 0.091 0.000 0.824 395 A HN 0.508 nan 8.150 nan 0.000 0.444 396 L N -1.233 120.055 121.223 0.109 0.000 2.275 396 L HA -0.131 4.210 4.340 0.002 0.000 0.215 396 L C 1.391 178.068 176.870 -0.321 0.000 1.119 396 L CA 1.040 55.818 54.840 -0.105 0.000 0.790 396 L CB -0.417 41.478 42.059 -0.274 0.000 0.919 396 L HN 0.515 nan 8.230 nan 0.000 0.443 397 H N -2.296 116.860 119.070 0.142 0.000 2.528 397 H HA 0.120 4.677 4.556 0.001 0.000 0.282 397 H C -0.091 175.386 175.328 0.249 0.000 1.097 397 H CA -0.530 55.609 56.048 0.151 0.000 1.121 397 H CB 0.136 29.962 29.762 0.107 0.000 1.590 397 H HN 0.007 nan 8.280 nan 0.000 0.553 398 D N 2.157 122.812 120.400 0.425 0.000 2.382 398 D HA -0.013 4.628 4.640 0.002 0.000 0.259 398 D C -1.587 174.853 176.300 0.233 0.000 1.224 398 D CA -1.991 52.202 54.000 0.322 0.000 0.894 398 D CB 1.391 42.416 40.800 0.375 0.000 1.127 398 D HN 0.162 nan 8.370 nan 0.000 0.487 399 P HA -0.051 nan 4.420 nan 0.000 0.233 399 P C 1.279 178.522 177.300 -0.095 0.000 1.167 399 P CA 0.405 63.536 63.100 0.051 0.000 0.770 399 P CB 0.173 31.906 31.700 0.055 0.000 0.837 400 R N -0.527 119.846 120.500 -0.212 0.000 2.105 400 R HA -0.155 4.185 4.340 0.002 0.000 0.239 400 R C 1.434 177.324 176.300 -0.683 0.000 1.135 400 R CA 1.635 57.440 56.100 -0.492 0.000 0.967 400 R CB -0.495 29.349 30.300 -0.760 0.000 0.861 400 R HN 0.195 nan 8.270 nan 0.000 0.442 401 Y N -1.928 118.161 120.300 -0.352 0.000 2.507 401 Y HA 0.218 4.769 4.550 0.002 0.000 0.263 401 Y C -0.216 175.025 175.900 -1.098 0.000 1.093 401 Y CA -0.452 57.197 58.100 -0.752 0.000 1.285 401 Y CB 0.730 38.588 38.460 -1.004 0.000 1.115 401 Y HN -0.122 nan 8.280 nan 0.000 0.533 402 F N 0.147 120.010 119.950 -0.146 0.000 2.553 402 F HA 0.287 4.815 4.527 0.001 0.000 0.335 402 F C 0.989 176.696 175.800 -0.154 0.000 1.148 402 F CA -1.675 56.062 58.000 -0.438 0.000 0.963 402 F CB 1.229 39.835 39.000 -0.657 0.000 1.217 402 F HN -0.119 nan 8.300 nan 0.000 0.441 403 E N 1.531 121.831 120.200 0.167 0.000 2.085 403 E HA -0.175 4.176 4.350 0.002 0.000 0.194 403 E C 0.503 177.248 176.600 0.242 0.000 0.994 403 E CA 1.649 58.158 56.400 0.183 0.000 0.801 403 E CB 0.274 30.067 29.700 0.155 0.000 0.743 403 E HN 0.574 nan 8.360 nan 0.000 0.453 404 T N -1.712 113.123 114.554 0.470 0.000 3.331 404 T HA 0.331 4.682 4.350 0.002 0.000 0.381 404 T C -2.378 172.535 174.700 0.355 0.000 1.656 404 T CA -1.833 60.451 62.100 0.306 0.000 1.453 404 T CB 1.378 70.341 68.868 0.158 0.000 1.066 404 T HN -0.095 nan 8.240 nan 0.000 0.655 405 P HA 0.007 nan 4.420 nan 0.000 0.220 405 P C 0.924 178.411 177.300 0.311 0.000 1.148 405 P CA 0.813 64.064 63.100 0.251 0.000 0.803 405 P CB 0.141 32.005 31.700 0.272 0.000 0.782 406 N N -1.423 117.433 118.700 0.260 0.000 2.230 406 N HA 0.067 4.808 4.740 0.002 0.000 0.202 406 N C -0.187 175.454 175.510 0.219 0.000 1.119 406 N CA 0.502 53.694 53.050 0.237 0.000 0.851 406 N CB 0.335 38.916 38.487 0.158 0.000 0.990 406 N HN 0.100 nan 8.380 nan 0.000 0.497 407 T N 0.563 115.246 114.554 0.215 0.000 2.848 407 T HA 0.241 4.592 4.350 0.002 0.000 0.285 407 T C -0.549 174.238 174.700 0.144 0.000 0.995 407 T CA -0.597 61.607 62.100 0.173 0.000 0.970 407 T CB 1.487 70.419 68.868 0.106 0.000 0.976 407 T HN -0.021 nan 8.240 nan 0.000 0.441 408 F N 4.425 124.349 119.950 -0.043 0.000 2.538 408 F HA 0.310 4.838 4.527 0.001 0.000 0.382 408 F C 0.444 176.083 175.800 -0.269 0.000 1.069 408 F CA -0.189 57.719 58.000 -0.154 0.000 1.138 408 F CB -0.003 38.812 39.000 -0.309 0.000 1.068 408 F HN 0.462 nan 8.300 nan 0.000 0.556 409 N N 8.191 126.417 118.700 -0.790 0.000 2.640 409 N HA 0.346 5.087 4.740 0.002 0.000 0.262 409 N C -2.421 172.671 175.510 -0.697 0.000 1.174 409 N CA -2.124 50.468 53.050 -0.764 0.000 0.791 409 N CB 1.442 39.419 38.487 -0.851 0.000 1.279 409 N HN 0.117 nan 8.380 nan 0.000 0.535 410 P HA -0.003 nan 4.420 nan 0.000 0.221 410 P C 1.272 178.483 177.300 -0.148 0.000 1.145 410 P CA 0.939 63.806 63.100 -0.388 0.000 0.795 410 P CB 0.173 31.586 31.700 -0.477 0.000 0.775 411 G N -1.081 107.605 108.800 -0.191 0.000 2.479 411 G HA2 -0.269 3.692 3.960 0.002 0.000 0.220 411 G HA3 -0.269 3.692 3.960 0.002 0.000 0.220 411 G C 1.130 175.985 174.900 -0.075 0.000 1.115 411 G CA 0.552 45.590 45.100 -0.104 0.000 0.757 411 G HN 0.377 nan 8.290 nan 0.000 0.560 412 H N -1.160 117.841 119.070 -0.115 0.000 2.460 412 H HA -0.075 4.482 4.556 0.002 0.000 0.297 412 H C 0.943 175.940 175.328 -0.552 0.000 1.103 412 H CA 0.923 56.814 56.048 -0.262 0.000 1.292 412 H CB -0.052 29.558 29.762 -0.253 0.000 1.376 412 H HN 0.495 nan 8.280 nan 0.000 0.531 413 F N -0.092 119.871 119.950 0.021 0.000 2.735 413 F HA 0.308 4.835 4.527 0.001 0.000 0.308 413 F C -0.414 175.310 175.800 -0.127 0.000 1.112 413 F CA -0.120 57.812 58.000 -0.113 0.000 1.235 413 F CB 0.773 39.610 39.000 -0.271 0.000 1.027 413 F HN -0.113 nan 8.300 nan 0.000 0.528 414 L N 0.821 122.061 121.223 0.028 0.000 2.386 414 L HA 0.417 4.758 4.340 0.002 0.000 0.271 414 L C -0.563 176.307 176.870 -0.000 0.000 0.993 414 L CA -1.062 53.791 54.840 0.021 0.000 0.819 414 L CB 1.792 43.878 42.059 0.046 0.000 1.294 414 L HN -0.001 nan 8.230 nan 0.000 0.414 415 D N 1.918 122.317 120.400 -0.001 0.000 2.506 415 D HA 0.302 4.943 4.640 0.002 0.000 0.272 415 D C 0.930 177.228 176.300 -0.003 0.000 1.214 415 D CA -0.248 53.747 54.000 -0.008 0.000 1.067 415 D CB 1.021 41.814 40.800 -0.011 0.000 1.117 415 D HN 0.459 nan 8.370 nan 0.000 0.578 416 A N -0.492 122.324 122.820 -0.006 0.000 2.067 416 A HA -0.143 4.178 4.320 0.002 0.000 0.219 416 A C 1.514 179.097 177.584 -0.002 0.000 1.158 416 A CA 0.842 52.876 52.037 -0.005 0.000 0.661 416 A CB -0.701 18.294 19.000 -0.008 0.000 0.801 416 A HN 0.552 nan 8.150 nan 0.000 0.452 417 N N -0.742 117.958 118.700 -0.000 0.000 2.336 417 N HA 0.124 4.865 4.740 0.002 0.000 0.189 417 N C 1.051 176.566 175.510 0.009 0.000 1.113 417 N CA 0.899 53.950 53.050 0.002 0.000 0.858 417 N CB 0.446 38.933 38.487 0.000 0.000 0.970 417 N HN 0.589 nan 8.380 nan 0.000 0.471 418 G N 0.468 109.277 108.800 0.015 0.000 2.143 418 G HA2 -0.263 3.698 3.960 0.002 0.000 0.248 418 G HA3 -0.263 3.698 3.960 0.002 0.000 0.248 418 G C 0.209 175.130 174.900 0.036 0.000 0.991 418 G CA 0.355 45.475 45.100 0.033 0.000 0.689 418 G HN 0.582 nan 8.290 nan 0.000 0.522 419 A N -0.597 122.234 122.820 0.019 0.000 2.293 419 A HA 0.809 5.130 4.320 0.002 0.000 0.302 419 A C 0.484 178.069 177.584 0.001 0.000 1.119 419 A CA -0.257 51.786 52.037 0.011 0.000 0.823 419 A CB 0.933 19.934 19.000 0.002 0.000 1.097 419 A HN 1.506 nan 8.150 nan 0.000 0.491 420 L N 1.347 122.561 121.223 -0.015 0.000 2.490 420 L HA 0.320 4.661 4.340 0.002 0.000 0.274 420 L C 0.443 177.288 176.870 -0.042 0.000 1.201 420 L CA 0.788 55.599 54.840 -0.048 0.000 0.869 420 L CB 0.126 42.130 42.059 -0.092 0.000 1.123 420 L HN 0.741 nan 8.230 nan 0.000 0.484 421 K N 4.247 124.625 120.400 -0.036 0.000 2.375 421 K HA 0.740 5.060 4.320 0.002 0.000 0.249 421 K C -0.907 175.687 176.600 -0.010 0.000 0.942 421 K CA -1.123 55.148 56.287 -0.027 0.000 0.806 421 K CB 1.801 34.283 32.500 -0.031 0.000 1.227 421 K HN 0.311 nan 8.250 nan 0.000 0.430 422 R N 1.271 121.773 120.500 0.004 0.000 2.828 422 R HA 0.454 4.794 4.340 0.002 0.000 0.264 422 R C -0.855 175.464 176.300 0.032 0.000 1.022 422 R CA -1.001 55.134 56.100 0.058 0.000 1.021 422 R CB 1.219 31.564 30.300 0.075 0.000 1.163 422 R HN 0.875 nan 8.270 nan 0.000 0.494 423 N N 0.850 119.595 118.700 0.075 0.000 2.425 423 N HA 0.062 4.803 4.740 0.002 0.000 0.289 423 N C 0.116 175.565 175.510 -0.102 0.000 1.074 423 N CA -0.163 52.857 53.050 -0.050 0.000 0.905 423 N CB 1.511 39.953 38.487 -0.075 0.000 1.586 423 N HN 0.341 nan 8.380 nan 0.000 0.490 424 E N 1.912 121.891 120.200 -0.368 0.000 2.209 424 E HA -0.098 4.253 4.350 0.002 0.000 0.196 424 E C 1.303 177.568 176.600 -0.559 0.000 0.993 424 E CA 1.121 57.233 56.400 -0.479 0.000 0.819 424 E CB 0.026 29.356 29.700 -0.617 0.000 0.745 424 E HN 0.784 nan 8.360 nan 0.000 0.477 425 G N 0.262 108.595 108.800 -0.778 0.000 2.572 425 G HA2 -0.162 3.799 3.960 0.002 0.000 0.216 425 G HA3 -0.162 3.799 3.960 0.002 0.000 0.216 425 G C 0.354 175.426 174.900 0.286 0.000 1.133 425 G CA -0.420 44.536 45.100 -0.240 0.000 0.791 425 G HN 0.134 nan 8.290 nan 0.000 0.538 426 F N 2.581 122.660 119.950 0.216 0.000 2.464 426 F HA 0.487 5.015 4.527 0.002 0.000 0.353 426 F C 0.834 176.733 175.800 0.165 0.000 1.191 426 F CA -1.113 57.088 58.000 0.335 0.000 1.147 426 F CB 0.383 39.705 39.000 0.536 0.000 1.294 426 F HN 0.090 nan 8.300 nan 0.000 0.583 427 M N 6.520 125.951 119.600 -0.283 0.000 3.404 427 M HA 0.341 4.822 4.480 0.002 0.000 0.398 427 M C -2.507 173.565 176.300 -0.380 0.000 1.599 427 M CA -1.245 53.898 55.300 -0.262 0.000 0.696 427 M CB 0.703 33.244 32.600 -0.098 0.000 1.427 427 M HN 0.087 nan 8.290 nan 0.000 0.502 428 P HA -0.008 nan 4.420 nan 0.000 0.226 428 P C 0.298 177.194 177.300 -0.672 0.000 1.153 428 P CA 1.056 63.735 63.100 -0.702 0.000 0.777 428 P CB -0.065 31.046 31.700 -0.982 0.000 0.794 429 F N -0.687 119.125 119.950 -0.231 0.000 2.641 429 F HA 0.324 4.851 4.527 0.001 0.000 0.302 429 F C 1.386 177.131 175.800 -0.091 0.000 1.098 429 F CA -0.047 57.874 58.000 -0.131 0.000 1.318 429 F CB -0.295 38.647 39.000 -0.097 0.000 1.035 429 F HN -0.122 nan 8.300 nan 0.000 0.551 430 S N -0.056 115.643 115.700 -0.001 0.000 3.784 430 S HA -0.113 4.358 4.470 0.002 0.000 0.636 430 S C -0.827 173.789 174.600 0.027 0.000 2.075 430 S CA 0.079 58.281 58.200 0.003 0.000 2.280 430 S CB -0.825 62.402 63.200 0.044 0.000 0.330 430 S HN 0.210 nan 8.310 nan 0.000 1.762 431 L N 0.131 121.371 121.223 0.027 0.000 2.600 431 L HA 0.697 5.038 4.340 0.002 0.000 0.257 431 L C 0.610 177.516 176.870 0.060 0.000 1.048 431 L CA -0.156 54.705 54.840 0.034 0.000 0.869 431 L CB 1.554 43.611 42.059 -0.004 0.000 1.482 431 L HN 1.726 nan 8.230 nan 0.000 0.408 432 G N 0.489 109.331 108.800 0.069 0.000 2.568 432 G HA2 -0.219 3.741 3.960 0.002 0.000 0.222 432 G HA3 -0.219 3.741 3.960 0.002 0.000 0.222 432 G C 0.121 175.106 174.900 0.142 0.000 1.321 432 G CA 0.223 45.381 45.100 0.097 0.000 0.893 432 G HN 0.664 nan 8.290 nan 0.000 0.569 433 K N -0.004 120.511 120.400 0.191 0.000 2.211 433 K HA 0.033 4.353 4.320 0.002 0.000 0.203 433 K C 2.247 179.067 176.600 0.366 0.000 1.050 433 K CA 0.978 57.435 56.287 0.284 0.000 0.945 433 K CB -0.060 32.669 32.500 0.382 0.000 0.732 433 K HN 0.233 nan 8.250 nan 0.000 0.451 434 R N 0.913 121.548 120.500 0.224 0.000 2.334 434 R HA 0.180 4.521 4.340 0.002 0.000 0.220 434 R C 0.758 177.130 176.300 0.119 0.000 0.917 434 R CA -0.201 55.970 56.100 0.118 0.000 1.073 434 R CB -0.506 29.691 30.300 -0.173 0.000 1.056 434 R HN 0.249 nan 8.270 nan 0.000 0.506 435 I N 1.239 121.892 120.570 0.137 0.000 3.055 435 I HA -0.220 3.951 4.170 0.002 0.000 0.308 435 I C 0.722 176.895 176.117 0.094 0.000 1.224 435 I CA 0.275 61.639 61.300 0.107 0.000 1.443 435 I CB 0.618 38.671 38.000 0.090 0.000 1.318 435 I HN 0.190 nan 8.210 nan 0.000 0.577 436 C N 8.165 127.525 119.300 0.099 0.000 2.271 436 C HA -0.075 4.386 4.460 0.002 0.000 0.397 436 C C 1.627 176.636 174.990 0.032 0.000 1.533 436 C CA -0.256 58.813 59.018 0.085 0.000 1.433 436 C CB -0.850 27.001 27.740 0.185 0.000 2.511 436 C HN 0.867 nan 8.230 nan 0.000 0.610 437 L N 5.850 127.099 121.223 0.043 0.000 2.191 437 L HA 0.156 4.497 4.340 0.002 0.000 0.212 437 L C 2.193 179.057 176.870 -0.010 0.000 1.103 437 L CA 2.360 57.219 54.840 0.031 0.000 0.769 437 L CB -0.634 41.462 42.059 0.062 0.000 0.908 437 L HN 0.942 nan 8.230 nan 0.000 0.438 438 G N -1.816 106.970 108.800 -0.023 0.000 3.434 438 G HA2 -0.015 3.946 3.960 0.002 0.000 0.258 438 G HA3 -0.015 3.946 3.960 0.002 0.000 0.258 438 G C 1.170 175.988 174.900 -0.138 0.000 1.128 438 G CA 0.269 45.338 45.100 -0.052 0.000 0.792 438 G HN 0.462 nan 8.290 nan 0.000 0.539 439 E N 0.525 120.579 120.200 -0.245 0.000 2.070 439 E HA -0.136 4.215 4.350 0.002 0.000 0.197 439 E C 2.488 178.835 176.600 -0.423 0.000 1.004 439 E CA 1.469 57.517 56.400 -0.587 0.000 0.805 439 E CB -0.384 28.938 29.700 -0.631 0.000 0.744 439 E HN 0.290 nan 8.360 nan 0.000 0.451 440 G N 1.152 109.809 108.800 -0.238 0.000 2.421 440 G HA2 -0.247 3.714 3.960 0.002 0.000 0.216 440 G HA3 -0.247 3.714 3.960 0.002 0.000 0.216 440 G C 1.621 176.449 174.900 -0.119 0.000 1.171 440 G CA 1.067 46.071 45.100 -0.159 0.000 0.775 440 G HN 0.286 nan 8.290 nan 0.000 0.543 441 I N 1.461 121.974 120.570 -0.096 0.000 2.163 441 I HA -0.221 3.950 4.170 0.002 0.000 0.243 441 I C 3.334 179.425 176.117 -0.044 0.000 1.085 441 I CA 1.112 62.377 61.300 -0.058 0.000 1.347 441 I CB -0.306 37.672 38.000 -0.037 0.000 1.044 441 I HN 0.252 nan 8.210 nan 0.000 0.408 442 A N 0.863 123.654 122.820 -0.048 0.000 1.883 442 A HA -0.218 4.103 4.320 0.002 0.000 0.217 442 A C 2.415 180.022 177.584 0.038 0.000 1.186 442 A CA 1.602 53.656 52.037 0.028 0.000 0.624 442 A CB -0.628 18.433 19.000 0.102 0.000 0.822 442 A HN 0.320 nan 8.150 nan 0.000 0.444 443 R N -1.006 119.472 120.500 -0.038 0.000 2.120 443 R HA -0.085 4.256 4.340 0.002 0.000 0.234 443 R C 2.196 178.523 176.300 0.046 0.000 1.123 443 R CA 1.710 57.821 56.100 0.018 0.000 0.975 443 R CB -0.752 29.512 30.300 -0.060 0.000 0.866 443 R HN 0.566 nan 8.270 nan 0.000 0.446 444 T N 0.946 115.496 114.554 -0.006 0.000 2.777 444 T HA -0.111 4.240 4.350 0.002 0.000 0.266 444 T C 1.585 176.247 174.700 -0.065 0.000 1.040 444 T CA 1.134 63.232 62.100 -0.004 0.000 1.141 444 T CB -0.059 68.781 68.868 -0.047 0.000 0.868 444 T HN 0.361 nan 8.240 nan 0.000 0.444 445 E N 0.864 120.995 120.200 -0.115 0.000 2.058 445 E HA -0.099 4.252 4.350 0.002 0.000 0.194 445 E C 2.281 178.790 176.600 -0.152 0.000 0.997 445 E CA 1.007 57.252 56.400 -0.259 0.000 0.801 445 E CB -0.348 29.358 29.700 0.009 0.000 0.746 445 E HN 0.422 nan 8.360 nan 0.000 0.450 446 L N 0.067 121.291 121.223 0.001 0.000 1.989 446 L HA -0.195 4.146 4.340 0.002 0.000 0.211 446 L C 2.523 179.465 176.870 0.121 0.000 1.071 446 L CA 1.152 55.992 54.840 0.001 0.000 0.749 446 L CB -0.542 41.625 42.059 0.181 0.000 0.890 446 L HN 0.123 nan 8.230 nan 0.000 0.431 447 F N 0.801 120.784 119.950 0.056 0.000 2.069 447 F HA -0.244 4.284 4.527 0.001 0.000 0.298 447 F C 2.249 178.083 175.800 0.056 0.000 1.113 447 F CA 1.678 59.732 58.000 0.090 0.000 1.214 447 F CB -0.219 38.804 39.000 0.039 0.000 0.978 447 F HN -0.136 nan 8.300 nan 0.000 0.474 448 L N -1.382 119.782 121.223 -0.099 0.000 2.109 448 L HA -0.185 4.156 4.340 0.002 0.000 0.207 448 L C 2.417 179.183 176.870 -0.172 0.000 1.086 448 L CA 0.772 55.477 54.840 -0.225 0.000 0.760 448 L CB -0.765 41.156 42.059 -0.230 0.000 0.910 448 L HN 0.100 nan 8.230 nan 0.000 0.437 449 F N -0.492 119.399 119.950 -0.099 0.000 2.113 449 F HA -0.135 4.393 4.527 0.001 0.000 0.297 449 F C 2.298 178.080 175.800 -0.029 0.000 1.103 449 F CA 0.980 58.907 58.000 -0.121 0.000 1.248 449 F CB -1.023 37.819 39.000 -0.262 0.000 0.999 449 F HN -0.110 nan 8.300 nan 0.000 0.475 450 F N 0.760 120.801 119.950 0.152 0.000 2.095 450 F HA -0.228 4.300 4.527 0.002 0.000 0.298 450 F C 2.844 178.668 175.800 0.039 0.000 1.104 450 F CA 1.893 59.948 58.000 0.093 0.000 1.232 450 F CB -1.646 37.319 39.000 -0.058 0.000 0.987 450 F HN 0.049 nan 8.300 nan 0.000 0.475 451 T N -3.937 110.634 114.554 0.029 0.000 2.857 451 T HA -0.123 4.228 4.350 0.002 0.000 0.266 451 T C 1.900 176.612 174.700 0.020 0.000 1.048 451 T CA 1.737 63.782 62.100 -0.091 0.000 1.139 451 T CB -1.018 67.582 68.868 -0.446 0.000 0.874 451 T HN 0.182 nan 8.240 nan 0.000 0.455 452 T N 2.209 116.790 114.554 0.045 0.000 2.821 452 T HA 0.143 4.494 4.350 0.002 0.000 0.267 452 T C 1.933 176.748 174.700 0.190 0.000 1.046 452 T CA 1.133 63.294 62.100 0.101 0.000 1.139 452 T CB -0.436 68.499 68.868 0.112 0.000 0.871 452 T HN 0.377 nan 8.240 nan 0.000 0.454 453 I N 0.778 121.517 120.570 0.282 0.000 2.142 453 I HA -0.140 4.031 4.170 0.002 0.000 0.240 453 I C 2.226 178.615 176.117 0.454 0.000 1.078 453 I CA 1.397 62.931 61.300 0.391 0.000 1.343 453 I CB -0.369 37.884 38.000 0.421 0.000 1.046 453 I HN 0.179 nan 8.210 nan 0.000 0.405 454 L N 0.105 121.566 121.223 0.397 0.000 2.291 454 L HA -0.182 4.159 4.340 0.002 0.000 0.214 454 L C 2.612 179.590 176.870 0.179 0.000 1.120 454 L CA 0.844 55.878 54.840 0.324 0.000 0.799 454 L CB -0.486 41.727 42.059 0.258 0.000 0.925 454 L HN 0.385 nan 8.230 nan 0.000 0.446 455 Q N 0.259 120.128 119.800 0.116 0.000 2.167 455 Q HA -0.181 4.160 4.340 0.002 0.000 0.202 455 Q C 1.569 177.542 176.000 -0.045 0.000 0.970 455 Q CA 1.348 57.169 55.803 0.030 0.000 0.855 455 Q CB 0.198 28.945 28.738 0.014 0.000 0.911 455 Q HN 0.557 nan 8.270 nan 0.000 0.438 456 N N -1.291 117.360 118.700 -0.082 0.000 2.368 456 N HA 0.094 4.834 4.740 0.002 0.000 0.178 456 N C -0.736 174.344 175.510 -0.716 0.000 1.076 456 N CA 0.353 53.149 53.050 -0.423 0.000 0.889 456 N CB 0.679 38.844 38.487 -0.536 0.000 1.040 456 N HN 0.027 nan 8.380 nan 0.000 0.463 457 F N 0.143 120.149 119.950 0.094 0.000 2.578 457 F HA 0.377 4.905 4.527 0.002 0.000 0.311 457 F C 0.307 176.213 175.800 0.177 0.000 1.094 457 F CA -0.789 57.298 58.000 0.145 0.000 0.923 457 F CB 1.726 40.884 39.000 0.264 0.000 1.230 457 F HN -0.365 nan 8.300 nan 0.000 0.450 458 S N 2.712 118.597 115.700 0.308 0.000 2.693 458 S HA 0.792 5.263 4.470 0.002 0.000 0.276 458 S C -0.481 174.251 174.600 0.220 0.000 1.192 458 S CA -0.679 57.661 58.200 0.234 0.000 0.994 458 S CB 1.240 64.522 63.200 0.138 0.000 1.012 458 S HN 0.531 nan 8.310 nan 0.000 0.550 459 I N -1.580 119.068 120.570 0.129 0.000 2.785 459 I HA 0.987 5.158 4.170 0.002 0.000 0.302 459 I C -0.600 175.499 176.117 -0.030 0.000 1.069 459 I CA -1.151 60.150 61.300 0.001 0.000 1.045 459 I CB 1.894 39.893 38.000 -0.001 0.000 1.236 459 I HN 0.667 nan 8.210 nan 0.000 0.429 460 A N 2.930 125.693 122.820 -0.094 0.000 2.602 460 A HA 0.933 5.254 4.320 0.002 0.000 0.290 460 A C -0.781 176.744 177.584 -0.099 0.000 1.114 460 A CA -0.028 51.965 52.037 -0.073 0.000 0.683 460 A CB 1.684 20.659 19.000 -0.042 0.000 1.281 460 A HN 1.315 nan 8.150 nan 0.000 0.416 461 S N -0.797 114.858 115.700 -0.075 0.000 2.611 461 S HA 0.689 5.160 4.470 0.002 0.000 0.268 461 S C -2.751 171.818 174.600 -0.051 0.000 1.156 461 S CA -0.563 57.599 58.200 -0.064 0.000 0.817 461 S CB 0.933 64.104 63.200 -0.049 0.000 1.122 461 S HN 0.281 nan 8.310 nan 0.000 0.466 462 P HA 0.175 nan 4.420 nan 0.000 0.226 462 P C -0.318 176.959 177.300 -0.038 0.000 1.153 462 P CA 0.512 63.591 63.100 -0.035 0.000 0.777 462 P CB -0.011 31.672 31.700 -0.029 0.000 0.794 463 V N 1.795 121.682 119.914 -0.046 0.000 2.383 463 V HA 0.254 4.375 4.120 0.002 0.000 0.275 463 V C -2.186 173.863 176.094 -0.076 0.000 1.036 463 V CA -2.177 60.090 62.300 -0.055 0.000 0.889 463 V CB 0.926 32.716 31.823 -0.056 0.000 0.985 463 V HN -0.058 nan 8.190 nan 0.000 0.459 464 P HA 0.140 nan 4.420 nan 0.000 0.266 464 P C -2.058 175.171 177.300 -0.117 0.000 1.195 464 P CA -1.024 62.027 63.100 -0.082 0.000 0.768 464 P CB 0.148 31.809 31.700 -0.064 0.000 0.838 465 P HA -0.255 nan 4.420 nan 0.000 0.216 465 P C 1.410 178.582 177.300 -0.214 0.000 1.157 465 P CA 1.696 64.665 63.100 -0.218 0.000 0.880 465 P CB -0.286 31.275 31.700 -0.232 0.000 0.791 466 E N -0.760 119.350 120.200 -0.150 0.000 2.209 466 E HA -0.211 4.140 4.350 0.002 0.000 0.196 466 E C 0.800 177.342 176.600 -0.096 0.000 0.993 466 E CA 1.322 57.654 56.400 -0.114 0.000 0.819 466 E CB -0.818 28.840 29.700 -0.069 0.000 0.745 466 E HN 0.248 nan 8.360 nan 0.000 0.477 467 D N 0.744 121.087 120.400 -0.095 0.000 2.354 467 D HA 0.159 4.800 4.640 0.002 0.000 0.209 467 D C 0.559 176.807 176.300 -0.087 0.000 1.015 467 D CA 0.103 54.059 54.000 -0.073 0.000 0.867 467 D CB 0.161 40.926 40.800 -0.058 0.000 0.933 467 D HN 0.243 nan 8.370 nan 0.000 0.520 468 I N 1.542 122.032 120.570 -0.133 0.000 2.598 468 I HA -0.041 4.130 4.170 0.002 0.000 0.284 468 I C 0.316 176.359 176.117 -0.124 0.000 1.140 468 I CA 0.068 61.276 61.300 -0.152 0.000 1.420 468 I CB 0.474 38.331 38.000 -0.239 0.000 1.387 468 I HN -0.238 nan 8.210 nan 0.000 0.553 469 D N 6.371 126.724 120.400 -0.079 0.000 2.303 469 D HA 0.325 4.966 4.640 0.002 0.000 0.236 469 D C 0.445 176.738 176.300 -0.011 0.000 1.068 469 D CA -0.392 53.589 54.000 -0.032 0.000 0.830 469 D CB 1.238 42.034 40.800 -0.006 0.000 1.109 469 D HN 0.382 nan 8.370 nan 0.000 0.496 470 L N 2.254 123.491 121.223 0.024 0.000 2.567 470 L HA 0.153 4.494 4.340 0.002 0.000 0.225 470 L C 0.680 177.643 176.870 0.155 0.000 1.119 470 L CA 0.087 54.986 54.840 0.098 0.000 0.871 470 L CB -0.203 41.937 42.059 0.135 0.000 1.036 470 L HN 0.385 nan 8.230 nan 0.000 0.459 471 T N 2.207 116.822 114.554 0.101 0.000 2.871 471 T HA 0.102 4.453 4.350 0.002 0.000 0.296 471 T C -1.969 172.786 174.700 0.093 0.000 0.998 471 T CA -0.754 61.400 62.100 0.090 0.000 1.162 471 T CB 0.332 69.237 68.868 0.062 0.000 0.947 471 T HN -0.002 nan 8.240 nan 0.000 0.536 476 G N 0.190 109.123 108.800 0.222 0.000 2.642 476 G HA2 -0.035 3.926 3.960 0.002 0.000 0.231 476 G HA3 -0.035 3.926 3.960 0.002 0.000 0.231 476 G C 0.779 175.760 174.900 0.134 0.000 1.338 476 G CA 0.370 45.650 45.100 0.299 0.000 0.883 476 G HN 2.037 nan 8.290 nan 0.000 0.570 477 V N 0.931 120.887 119.914 0.070 0.000 2.370 477 V HA 0.195 4.316 4.120 0.002 0.000 0.252 477 V C 1.758 177.676 176.094 -0.294 0.000 1.068 477 V CA 3.565 65.676 62.300 -0.316 0.000 1.061 477 V CB -0.847 30.962 31.823 -0.023 0.000 0.656 477 V HN 2.163 nan 8.190 nan 0.000 0.455 478 G N -0.606 108.127 108.800 -0.111 0.000 2.448 478 G HA2 0.484 4.445 3.960 0.002 0.000 0.324 478 G HA3 0.484 4.445 3.960 0.002 0.000 0.324 478 G C -1.002 173.870 174.900 -0.048 0.000 1.203 478 G CA -0.662 44.376 45.100 -0.102 0.000 0.954 478 G HN 0.260 nan 8.290 nan 0.000 0.480 479 N N -0.748 117.913 118.700 -0.065 0.000 2.515 479 N HA 0.535 5.276 4.740 0.002 0.000 0.279 479 N C -0.638 174.865 175.510 -0.010 0.000 1.164 479 N CA -0.283 52.747 53.050 -0.034 0.000 0.982 479 N CB 1.903 40.344 38.487 -0.075 0.000 1.170 479 N HN 0.142 nan 8.380 nan 0.000 0.474 480 V N 3.827 123.755 119.914 0.023 0.000 2.445 480 V HA 0.319 4.440 4.120 0.002 0.000 0.283 480 V C -2.173 173.972 176.094 0.084 0.000 1.014 480 V CA -1.365 60.972 62.300 0.061 0.000 0.852 480 V CB 1.480 33.350 31.823 0.078 0.000 1.021 480 V HN 0.600 nan 8.190 nan 0.000 0.435 481 P HA 0.280 nan 4.420 nan 0.000 0.272 481 P C -2.521 174.891 177.300 0.185 0.000 1.223 481 P CA -1.225 61.994 63.100 0.199 0.000 0.784 481 P CB -0.042 31.871 31.700 0.354 0.000 0.923 482 P HA -0.014 nan 4.420 nan 0.000 0.268 482 P C 0.142 177.565 177.300 0.205 0.000 1.208 482 P CA 0.170 63.359 63.100 0.149 0.000 0.777 482 P CB 0.166 31.938 31.700 0.119 0.000 0.875 483 S N 1.788 117.563 115.700 0.125 0.000 2.592 483 S HA 0.554 5.025 4.470 0.002 0.000 0.271 483 S C -0.409 174.275 174.600 0.140 0.000 1.326 483 S CA -0.174 58.067 58.200 0.068 0.000 1.024 483 S CB -0.009 63.173 63.200 -0.029 0.000 0.921 483 S HN 0.581 nan 8.310 nan 0.000 0.527 484 Y N -1.631 118.643 120.300 -0.045 0.000 2.656 484 Y HA 0.616 5.167 4.550 0.001 0.000 0.334 484 Y C -1.075 174.771 175.900 -0.091 0.000 1.179 484 Y CA -1.375 56.690 58.100 -0.060 0.000 1.050 484 Y CB 0.688 39.116 38.460 -0.053 0.000 1.308 484 Y HN 0.649 nan 8.280 nan 0.000 0.456 485 Q N 2.292 122.111 119.800 0.032 0.000 2.226 485 Q HA 0.738 5.079 4.340 0.002 0.000 0.256 485 Q C -1.396 174.607 176.000 0.005 0.000 0.962 485 Q CA -1.072 54.684 55.803 -0.079 0.000 0.887 485 Q CB 3.172 31.871 28.738 -0.065 0.000 1.282 485 Q HN 0.782 nan 8.270 nan 0.000 0.449 486 I N 0.092 120.581 120.570 -0.136 0.000 2.913 486 I HA 0.427 4.598 4.170 0.002 0.000 0.302 486 I C -1.549 174.376 176.117 -0.320 0.000 1.246 486 I CA -0.820 60.351 61.300 -0.215 0.000 1.010 486 I CB 2.095 39.930 38.000 -0.276 0.000 1.259 486 I HN 0.554 nan 8.210 nan 0.000 0.434 487 R N 5.606 125.905 120.500 -0.334 0.000 2.445 487 R HA 0.466 4.807 4.340 0.002 0.000 0.308 487 R C -1.726 174.324 176.300 -0.417 0.000 0.961 487 R CA -0.541 55.397 56.100 -0.270 0.000 0.862 487 R CB 1.488 31.718 30.300 -0.116 0.000 1.144 487 R HN 0.349 nan 8.270 nan 0.000 0.447 488 F N 3.867 123.728 119.950 -0.148 0.000 2.350 488 F HA 0.299 4.827 4.527 0.001 0.000 0.365 488 F C 0.183 176.018 175.800 0.057 0.000 1.122 488 F CA -0.560 57.332 58.000 -0.181 0.000 1.139 488 F CB 0.695 39.290 39.000 -0.675 0.000 1.220 488 F HN 0.163 nan 8.300 nan 0.000 0.499 489 L N 4.148 125.578 121.223 0.345 0.000 2.257 489 L HA 0.556 4.897 4.340 0.002 0.000 0.290 489 L C 0.503 177.598 176.870 0.376 0.000 1.044 489 L CA -0.976 54.046 54.840 0.304 0.000 0.810 489 L CB 1.019 43.176 42.059 0.163 0.000 1.193 489 L HN 0.637 nan 8.230 nan 0.000 0.425 490 A N 5.048 128.030 122.820 0.271 0.000 2.524 490 A HA 0.292 4.613 4.320 0.002 0.000 0.250 490 A C 0.252 177.638 177.584 -0.329 0.000 1.078 490 A CA -0.150 51.789 52.037 -0.162 0.000 0.761 490 A CB 0.027 18.870 19.000 -0.260 0.000 1.012 490 A HN 0.769 nan 8.150 nan 0.000 0.500 491 R N 2.056 122.332 120.500 -0.373 0.000 2.357 491 R HA 0.461 4.801 4.340 0.002 0.000 0.296 491 R C -0.402 175.713 176.300 -0.308 0.000 1.052 491 R CA -0.368 55.598 56.100 -0.224 0.000 0.988 491 R CB 0.739 30.956 30.300 -0.138 0.000 1.025 491 R HN 0.829 nan 8.270 nan 0.000 0.469 492 H N 0.000 119.053 119.070 -0.028 0.000 2.539 492 H HA 0.000 4.557 4.556 0.002 0.000 0.296 492 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 492 H CB 0.000 29.760 29.762 -0.004 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496