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 2bw3_1_A DATA FIRST_RESID 76 DATA SEQUENCE SHXQSRELKT VSADCKKEAI EKCAQWVVRD CRPFSAVSGS GFIDXIKFFI DATA SEQUENCE KVKAEYGEHV NVEELLPSPI TLSRKVTSDA KEKKALIGRE IKSAVEKDGA DATA SEQUENCE SATIDLWTDN YIKRNFLGVT LHYHENNELR DLILGLKSLD FERSTAENIY DATA SEQUENCE KKLKAIFSQF NVEDLSSIKF VTDRGANVVK SLANNIRINC SSHLLSNVLE DATA SEQUENCE NSFEETPELN XPILACKNIV KYFKKANLQH RLRSSLKSEC PTRWNSTYTX DATA SEQUENCE LRSILDNWES VIQILSEAGE TQRIVHINKS IIQTXVNILD GFERIFKELQ DATA SEQUENCE TCSSPSLCFV VPSILKVKEI CSPDVGDVAD IAKLKVNIIK NVRIIWEENL DATA SEQUENCE SIWHYTAFFF YPPALHXQQE KVAQIKEFCL SKXEDLELIN RXSSFNELSA DATA SEQUENCE TQLNQXXXXX XXXXXXXXXX XDISTTSFFF PQLTQNNSRE PPVCPSDEFE DATA SEQUENCE FYRKEIVILS EDFKVXEWWN LNSKKYPKLS KLALSLLSIP ASSAASERTF DATA SEQUENCE SLAGNIITEK RNRIGQQTVD SLLFLNSFYK NFCK 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 76 S HA 0.000 nan 4.470 nan 0.000 0.327 76 S C 0.000 174.639 174.600 0.065 0.000 1.055 76 S CA 0.000 58.253 58.200 0.088 0.000 1.107 76 S CB 0.000 63.217 63.200 0.028 0.000 0.593 80 S N 3.352 119.065 115.700 0.022 0.000 2.372 80 S HA -0.203 4.266 4.470 -0.001 0.000 0.227 80 S C -0.035 174.589 174.600 0.041 0.000 1.044 80 S CA 1.312 59.535 58.200 0.038 0.000 1.050 80 S CB -0.442 62.773 63.200 0.025 0.000 0.901 80 S HN 0.761 nan 8.310 nan 0.000 0.447 81 R N 0.789 121.297 120.500 0.013 0.000 2.920 81 R HA -0.071 4.268 4.340 -0.001 0.000 0.282 81 R C -1.542 174.768 176.300 0.016 0.000 0.954 81 R CA 0.409 56.512 56.100 0.005 0.000 0.659 81 R CB -1.905 28.396 30.300 0.002 0.000 1.559 81 R HN 0.489 nan 8.270 nan 0.000 0.443 82 E N 1.799 122.004 120.200 0.008 0.000 2.313 82 E HA 0.313 4.662 4.350 -0.001 0.000 0.276 82 E C 0.165 176.769 176.600 0.006 0.000 1.031 82 E CA -0.373 56.033 56.400 0.010 0.000 0.857 82 E CB 0.629 30.333 29.700 0.007 0.000 1.040 82 E HN 0.127 nan 8.360 nan 0.000 0.408 83 L N 2.777 124.006 121.223 0.009 0.000 2.322 83 L HA 0.348 4.687 4.340 -0.001 0.000 0.279 83 L C 0.274 177.146 176.870 0.005 0.000 1.036 83 L CA -0.445 54.398 54.840 0.006 0.000 0.807 83 L CB 0.960 43.026 42.059 0.011 0.000 1.226 83 L HN 0.451 nan 8.230 nan 0.000 0.433 84 K N 1.693 122.093 120.400 0.000 0.000 2.322 84 K HA 0.276 4.595 4.320 -0.001 0.000 0.283 84 K C -0.174 176.429 176.600 0.004 0.000 1.042 84 K CA -0.312 55.975 56.287 0.000 0.000 0.958 84 K CB 0.610 33.108 32.500 -0.004 0.000 0.984 84 K HN 0.466 nan 8.250 nan 0.000 0.473 85 T N 2.655 117.213 114.554 0.006 0.000 2.743 85 T HA 0.157 4.507 4.350 -0.001 0.000 0.293 85 T C 0.514 175.219 174.700 0.007 0.000 0.945 85 T CA -0.769 61.336 62.100 0.009 0.000 1.030 85 T CB 0.730 69.604 68.868 0.011 0.000 0.912 85 T HN 0.438 nan 8.240 nan 0.000 0.483 86 V N 2.489 122.408 119.914 0.009 0.000 3.319 86 V HA 0.511 4.630 4.120 -0.001 0.000 0.303 86 V C 0.812 176.911 176.094 0.009 0.000 1.094 86 V CA -0.971 61.334 62.300 0.007 0.000 1.106 86 V CB 0.338 32.166 31.823 0.009 0.000 1.099 86 V HN 0.950 nan 8.190 nan 0.000 0.476 87 S N 1.601 117.305 115.700 0.007 0.000 2.589 87 S HA 0.466 4.935 4.470 -0.001 0.000 0.265 87 S C 1.340 175.947 174.600 0.011 0.000 1.342 87 S CA -0.059 58.146 58.200 0.008 0.000 1.005 87 S CB 0.865 64.069 63.200 0.006 0.000 0.909 87 S HN 1.805 nan 8.310 nan 0.000 0.555 88 A N 1.080 123.907 122.820 0.011 0.000 1.908 88 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 88 A C 1.754 179.346 177.584 0.014 0.000 1.181 88 A CA 1.909 53.954 52.037 0.013 0.000 0.627 88 A CB -1.136 17.871 19.000 0.011 0.000 0.818 88 A HN 0.867 nan 8.150 nan 0.000 0.445 89 D N -1.171 119.236 120.400 0.012 0.000 2.178 89 D HA -0.100 4.539 4.640 -0.001 0.000 0.202 89 D C 1.917 178.227 176.300 0.016 0.000 0.974 89 D CA 1.102 55.111 54.000 0.013 0.000 0.841 89 D CB -0.578 40.229 40.800 0.011 0.000 0.953 89 D HN 0.468 nan 8.370 nan 0.000 0.478 90 C N 0.775 120.084 119.300 0.014 0.000 2.453 90 C HA -0.075 4.385 4.460 -0.001 0.000 0.277 90 C C 2.555 177.559 174.990 0.022 0.000 1.262 90 C CA 0.990 60.017 59.018 0.015 0.000 1.718 90 C CB -0.655 27.091 27.740 0.011 0.000 2.031 90 C HN 0.117 nan 8.230 nan 0.000 0.480 91 K N 1.534 121.948 120.400 0.024 0.000 2.063 91 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 91 K C 2.182 178.803 176.600 0.035 0.000 1.048 91 K CA 2.105 58.411 56.287 0.031 0.000 0.928 91 K CB -0.559 31.957 32.500 0.027 0.000 0.713 91 K HN 0.622 nan 8.250 nan 0.000 0.442 92 K N 0.370 120.787 120.400 0.029 0.000 2.057 92 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 92 K C 2.115 178.736 176.600 0.035 0.000 1.050 92 K CA 1.740 58.045 56.287 0.030 0.000 0.935 92 K CB -0.136 32.378 32.500 0.023 0.000 0.715 92 K HN 0.343 nan 8.250 nan 0.000 0.439 93 E N -0.235 119.984 120.200 0.032 0.000 2.150 93 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 93 E C 1.714 178.343 176.600 0.047 0.000 0.985 93 E CA 0.839 57.260 56.400 0.035 0.000 0.814 93 E CB -0.052 29.664 29.700 0.026 0.000 0.752 93 E HN 0.428 nan 8.360 nan 0.000 0.466 94 A N 1.524 124.374 122.820 0.050 0.000 1.883 94 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 94 A C 2.230 179.870 177.584 0.094 0.000 1.186 94 A CA 1.348 53.426 52.037 0.068 0.000 0.624 94 A CB -0.704 18.336 19.000 0.066 0.000 0.822 94 A HN 0.475 nan 8.150 nan 0.000 0.444 95 I N -0.434 120.186 120.570 0.083 0.000 2.286 95 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 95 I C 2.309 178.483 176.117 0.095 0.000 1.115 95 I CA 1.902 63.256 61.300 0.091 0.000 1.392 95 I CB -0.222 37.816 38.000 0.063 0.000 1.065 95 I HN 0.478 nan 8.210 nan 0.000 0.418 96 E N 0.400 120.646 120.200 0.077 0.000 2.077 96 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 96 E C 2.074 178.733 176.600 0.098 0.000 0.989 96 E CA 0.912 57.358 56.400 0.075 0.000 0.800 96 E CB 0.039 29.772 29.700 0.055 0.000 0.746 96 E HN 0.334 nan 8.360 nan 0.000 0.452 97 K N 0.309 120.769 120.400 0.101 0.000 2.097 97 K HA -0.072 4.247 4.320 -0.001 0.000 0.205 97 K C 2.194 178.911 176.600 0.196 0.000 1.050 97 K CA 0.765 57.122 56.287 0.118 0.000 0.938 97 K CB -0.556 31.993 32.500 0.081 0.000 0.718 97 K HN 0.238 nan 8.250 nan 0.000 0.442 98 C N 0.706 120.141 119.300 0.226 0.000 2.440 98 C HA 0.000 4.460 4.460 -0.001 0.000 0.278 98 C C 2.864 178.036 174.990 0.303 0.000 1.295 98 C CA 0.647 59.876 59.018 0.352 0.000 1.738 98 C CB -0.883 27.047 27.740 0.317 0.000 1.987 98 C HN 0.492 nan 8.230 nan 0.000 0.492 99 A N 1.576 124.516 122.820 0.200 0.000 1.873 99 A HA -0.227 4.092 4.320 -0.001 0.000 0.215 99 A C 2.107 179.773 177.584 0.138 0.000 1.186 99 A CA 2.041 54.172 52.037 0.157 0.000 0.616 99 A CB -0.732 18.338 19.000 0.116 0.000 0.823 99 A HN 0.741 nan 8.150 nan 0.000 0.442 100 Q N -1.656 118.231 119.800 0.145 0.000 2.224 100 Q HA -0.179 4.160 4.340 -0.001 0.000 0.203 100 Q C 1.700 177.808 176.000 0.179 0.000 0.970 100 Q CA 1.722 57.601 55.803 0.127 0.000 0.865 100 Q CB -0.734 28.069 28.738 0.107 0.000 0.922 100 Q HN 0.756 nan 8.270 nan 0.000 0.445 101 W N 2.197 123.516 121.300 0.031 0.000 2.380 101 W HA -0.145 4.514 4.660 -0.001 0.000 0.317 101 W C 2.068 178.583 176.519 -0.007 0.000 1.196 101 W CA 2.250 59.607 57.345 0.021 0.000 1.307 101 W CB -0.847 28.639 29.460 0.043 0.000 1.157 101 W HN 0.116 nan 8.180 nan 0.000 0.483 102 V N -0.166 119.602 119.914 -0.244 0.000 2.594 102 V HA -0.216 3.903 4.120 -0.001 0.000 0.253 102 V C 1.771 177.679 176.094 -0.311 0.000 1.069 102 V CA 2.200 64.181 62.300 -0.532 0.000 1.082 102 V CB -1.421 30.100 31.823 -0.503 0.000 0.680 102 V HN 0.118 nan 8.190 nan 0.000 0.469 103 V N 0.732 120.572 119.914 -0.123 0.000 2.331 103 V HA -0.052 4.067 4.120 -0.001 0.000 0.242 103 V C 2.905 178.964 176.094 -0.059 0.000 1.034 103 V CA 2.226 64.480 62.300 -0.076 0.000 1.027 103 V CB -0.706 31.116 31.823 -0.003 0.000 0.667 103 V HN 0.430 nan 8.190 nan 0.000 0.457 104 R N 0.257 120.751 120.500 -0.010 0.000 2.148 104 R HA -0.099 4.241 4.340 -0.001 0.000 0.227 104 R C 1.247 177.548 176.300 0.002 0.000 1.103 104 R CA 1.411 57.518 56.100 0.012 0.000 0.983 104 R CB -0.151 30.181 30.300 0.054 0.000 0.874 104 R HN 0.485 nan 8.270 nan 0.000 0.451 105 D N -1.142 119.242 120.400 -0.025 0.000 2.398 105 D HA 0.052 4.691 4.640 -0.001 0.000 0.210 105 D C -0.170 176.056 176.300 -0.123 0.000 1.094 105 D CA -0.020 53.963 54.000 -0.028 0.000 0.839 105 D CB 0.284 41.123 40.800 0.065 0.000 0.963 105 D HN 0.090 nan 8.370 nan 0.000 0.506 106 C N 2.562 121.753 119.300 -0.183 0.000 3.873 106 C HA -0.188 4.271 4.460 -0.001 0.000 0.302 106 C C -0.174 174.636 174.990 -0.299 0.000 1.266 106 C CA 0.034 58.920 59.018 -0.221 0.000 2.185 106 C CB -1.718 25.938 27.740 -0.141 0.000 1.380 106 C HN 0.110 nan 8.230 nan 0.000 0.623 107 R N 2.762 122.980 120.500 -0.469 0.000 2.732 107 R HA 0.708 5.047 4.340 -0.001 0.000 0.278 107 R C -2.076 173.856 176.300 -0.614 0.000 0.976 107 R CA -1.923 53.843 56.100 -0.556 0.000 0.963 107 R CB 0.819 30.566 30.300 -0.921 0.000 1.150 107 R HN 0.455 nan 8.270 nan 0.000 0.478 108 P HA 0.163 nan 4.420 nan 0.000 0.274 108 P C 0.460 177.467 177.300 -0.489 0.000 1.231 108 P CA -0.250 62.556 63.100 -0.491 0.000 0.790 108 P CB 0.435 31.972 31.700 -0.271 0.000 0.951 109 F N 0.554 120.390 119.950 -0.191 0.000 2.161 109 F HA -0.220 4.306 4.527 -0.001 0.000 0.300 109 F C 2.696 178.410 175.800 -0.144 0.000 1.089 109 F CA 1.748 59.650 58.000 -0.165 0.000 1.282 109 F CB -0.842 38.096 39.000 -0.103 0.000 1.010 109 F HN 0.301 nan 8.300 nan 0.000 0.485 110 S N 0.470 116.188 115.700 0.031 0.000 2.469 110 S HA -0.176 4.293 4.470 -0.001 0.000 0.238 110 S C 2.091 176.661 174.600 -0.049 0.000 0.998 110 S CA 0.655 58.858 58.200 0.005 0.000 0.957 110 S CB -0.786 62.413 63.200 -0.001 0.000 0.764 110 S HN 0.306 nan 8.310 nan 0.000 0.514 111 A N 1.088 123.820 122.820 -0.147 0.000 2.024 111 A HA 0.024 4.343 4.320 -0.001 0.000 0.220 111 A C 2.289 179.699 177.584 -0.289 0.000 1.164 111 A CA 1.464 53.391 52.037 -0.183 0.000 0.643 111 A CB -0.999 17.794 19.000 -0.344 0.000 0.806 111 A HN 0.560 nan 8.150 nan 0.000 0.451 112 V N -0.739 119.029 119.914 -0.242 0.000 3.217 112 V HA -0.041 4.078 4.120 -0.001 0.000 0.264 112 V C 2.245 178.350 176.094 0.018 0.000 1.135 112 V CA 2.085 64.217 62.300 -0.279 0.000 1.142 112 V CB 0.156 32.000 31.823 0.035 0.000 0.754 112 V HN 0.566 nan 8.190 nan 0.000 0.484 113 S N -0.582 115.148 115.700 0.051 0.000 2.517 113 S HA 0.270 4.739 4.470 -0.001 0.000 0.214 113 S C 1.202 175.899 174.600 0.162 0.000 0.991 113 S CA 0.382 58.658 58.200 0.126 0.000 0.906 113 S CB -0.266 62.982 63.200 0.080 0.000 0.789 113 S HN 0.699 nan 8.310 nan 0.000 0.513 114 G N 1.383 110.285 108.800 0.171 0.000 2.414 114 G HA2 0.201 4.160 3.960 -0.001 0.000 0.236 114 G HA3 0.201 4.160 3.960 -0.001 0.000 0.236 114 G C 0.937 175.977 174.900 0.235 0.000 1.293 114 G CA 0.250 45.468 45.100 0.195 0.000 0.869 114 G HN 0.467 nan 8.290 nan 0.000 0.556 115 S N 1.653 117.450 115.700 0.161 0.000 2.402 115 S HA -0.065 4.404 4.470 -0.001 0.000 0.229 115 S C 2.388 177.065 174.600 0.129 0.000 1.021 115 S CA 1.053 59.331 58.200 0.130 0.000 0.974 115 S CB -0.236 63.016 63.200 0.087 0.000 0.800 115 S HN 0.826 nan 8.310 nan 0.000 0.484 116 G N 0.960 109.852 108.800 0.153 0.000 2.402 116 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.216 116 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.216 116 G C 1.141 176.138 174.900 0.163 0.000 1.162 116 G CA 0.645 45.825 45.100 0.135 0.000 0.777 116 G HN 0.489 nan 8.290 nan 0.000 0.539 117 F N 1.480 121.487 119.950 0.095 0.000 2.095 117 F HA -0.027 4.499 4.527 -0.001 0.000 0.298 117 F C 2.458 178.308 175.800 0.083 0.000 1.104 117 F CA 1.257 59.319 58.000 0.104 0.000 1.232 117 F CB -0.222 38.870 39.000 0.152 0.000 0.987 117 F HN 0.096 nan 8.300 nan 0.000 0.475 118 I N -0.112 120.526 120.570 0.113 0.000 2.208 118 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 118 I C 0.931 177.008 176.117 -0.068 0.000 1.097 118 I CA 0.887 62.184 61.300 -0.005 0.000 1.363 118 I CB -0.672 37.393 38.000 0.107 0.000 1.051 118 I HN 0.075 nan 8.210 nan 0.000 0.413 122 K N 0.920 121.280 120.400 -0.067 0.000 2.063 122 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 122 K C 2.011 178.581 176.600 -0.051 0.000 1.048 122 K CA 2.159 58.421 56.287 -0.041 0.000 0.928 122 K CB -0.166 32.321 32.500 -0.022 0.000 0.713 122 K HN 0.249 nan 8.250 nan 0.000 0.442 123 F N 0.923 120.752 119.950 -0.202 0.000 2.102 123 F HA -0.160 4.366 4.527 -0.002 0.000 0.298 123 F C 1.720 177.351 175.800 -0.283 0.000 1.105 123 F CA 1.384 59.213 58.000 -0.286 0.000 1.239 123 F CB -0.421 38.309 39.000 -0.450 0.000 0.991 123 F HN -0.108 nan 8.300 nan 0.000 0.474 124 F N 0.316 120.096 119.950 -0.283 0.000 2.216 124 F HA -0.166 4.360 4.527 -0.001 0.000 0.300 124 F C 2.339 177.965 175.800 -0.290 0.000 1.085 124 F CA 1.086 58.873 58.000 -0.355 0.000 1.326 124 F CB -0.512 38.398 39.000 -0.150 0.000 1.027 124 F HN -0.017 nan 8.300 nan 0.000 0.497 125 I N 0.175 120.707 120.570 -0.063 0.000 2.252 125 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 125 I C 2.512 178.560 176.117 -0.116 0.000 1.102 125 I CA 1.310 62.570 61.300 -0.067 0.000 1.385 125 I CB -0.393 37.577 38.000 -0.051 0.000 1.064 125 I HN 0.077 nan 8.210 nan 0.000 0.414 126 K N 0.994 121.281 120.400 -0.188 0.000 2.097 126 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 126 K C 2.050 178.530 176.600 -0.201 0.000 1.049 126 K CA 1.322 57.495 56.287 -0.189 0.000 0.933 126 K CB 0.036 32.418 32.500 -0.197 0.000 0.717 126 K HN 0.087 nan 8.250 nan 0.000 0.442 127 V N 1.492 121.212 119.914 -0.322 0.000 2.343 127 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 127 V C 2.835 178.954 176.094 0.042 0.000 1.051 127 V CA 2.494 64.711 62.300 -0.139 0.000 1.036 127 V CB -0.785 30.882 31.823 -0.260 0.000 0.654 127 V HN 0.590 nan 8.190 nan 0.000 0.451 128 K N 0.088 120.472 120.400 -0.026 0.000 2.097 128 K HA -0.071 4.248 4.320 -0.001 0.000 0.206 128 K C 2.215 178.798 176.600 -0.028 0.000 1.049 128 K CA 1.820 58.100 56.287 -0.012 0.000 0.933 128 K CB -1.197 nan 32.500 nan 0.000 0.717 128 K HN 0.610 nan 8.250 nan 0.000 0.442 129 A N 0.804 123.591 122.820 -0.055 0.000 1.933 129 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 129 A C 2.196 179.723 177.584 -0.096 0.000 1.175 129 A CA 1.962 53.957 52.037 -0.070 0.000 0.628 129 A CB -0.250 18.706 19.000 -0.074 0.000 0.814 129 A HN 0.749 nan 8.150 nan 0.000 0.444 130 E N -1.983 118.143 120.200 -0.124 0.000 2.122 130 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 130 E C 1.141 177.499 176.600 -0.404 0.000 0.977 130 E CA 0.758 56.986 56.400 -0.286 0.000 0.820 130 E CB -0.054 29.405 29.700 -0.401 0.000 0.770 130 E HN 0.733 nan 8.360 nan 0.000 0.462 131 Y N -0.309 119.957 120.300 -0.057 0.000 2.444 131 Y HA 0.332 4.881 4.550 -0.001 0.000 0.249 131 Y C 0.907 176.776 175.900 -0.052 0.000 1.134 131 Y CA 0.227 58.302 58.100 -0.042 0.000 1.261 131 Y CB 1.372 39.813 38.460 -0.031 0.000 1.143 131 Y HN 0.195 nan 8.280 nan 0.000 0.523 132 G N 1.469 110.291 108.800 0.036 0.000 2.760 132 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.246 132 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.246 132 G C 0.677 175.518 174.900 -0.099 0.000 1.359 132 G CA -0.015 45.058 45.100 -0.045 0.000 0.861 132 G HN 0.430 nan 8.290 nan 0.000 0.541 133 E N -1.192 118.846 120.200 -0.270 0.000 2.216 133 E HA -0.067 4.282 4.350 -0.001 0.000 0.192 133 E C 0.763 177.182 176.600 -0.300 0.000 0.988 133 E CA 1.113 57.318 56.400 -0.325 0.000 0.834 133 E CB -0.079 29.390 29.700 -0.385 0.000 0.772 133 E HN 0.608 nan 8.360 nan 0.000 0.479 134 H N 1.603 120.683 119.070 0.016 0.000 2.794 134 H HA 0.257 4.812 4.556 -0.002 0.000 0.256 134 H C -0.363 174.968 175.328 0.005 0.000 1.637 134 H CA -0.258 55.795 56.048 0.008 0.000 1.222 134 H CB -0.596 29.173 29.762 0.011 0.000 1.545 134 H HN -0.019 nan 8.280 nan 0.000 0.518 135 V N 1.902 121.842 119.914 0.045 0.000 2.607 135 V HA -0.031 4.088 4.120 -0.001 0.000 0.289 135 V C 1.084 177.173 176.094 -0.010 0.000 1.053 135 V CA -0.799 61.498 62.300 -0.004 0.000 0.996 135 V CB 1.505 33.297 31.823 -0.050 0.000 0.995 135 V HN 0.471 nan 8.190 nan 0.000 0.476 136 N N 3.815 122.499 118.700 -0.026 0.000 2.421 136 N HA 0.057 4.796 4.740 -0.001 0.000 0.260 136 N C 0.698 176.187 175.510 -0.035 0.000 1.173 136 N CA 0.192 53.229 53.050 -0.021 0.000 0.960 136 N CB 1.199 39.673 38.487 -0.021 0.000 1.273 136 N HN 0.429 nan 8.380 nan 0.000 0.497 137 V N 3.486 123.376 119.914 -0.040 0.000 2.453 137 V HA -0.163 3.956 4.120 -0.001 0.000 0.247 137 V C 1.748 177.814 176.094 -0.047 0.000 1.048 137 V CA 1.439 63.702 62.300 -0.063 0.000 1.049 137 V CB -0.410 31.351 31.823 -0.103 0.000 0.672 137 V HN 0.547 nan 8.190 nan 0.000 0.457 138 E N -0.036 120.144 120.200 -0.033 0.000 2.153 138 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 138 E C 2.154 178.749 176.600 -0.007 0.000 0.988 138 E CA 1.177 57.565 56.400 -0.020 0.000 0.811 138 E CB -0.121 29.570 29.700 -0.014 0.000 0.746 138 E HN 0.588 nan 8.360 nan 0.000 0.466 139 E N -0.083 120.112 120.200 -0.008 0.000 2.076 139 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 139 E C 1.769 178.375 176.600 0.010 0.000 0.979 139 E CA 0.349 56.748 56.400 -0.002 0.000 0.807 139 E CB -0.152 29.542 29.700 -0.011 0.000 0.761 139 E HN 0.212 nan 8.360 nan 0.000 0.454 140 L N 0.469 121.700 121.223 0.012 0.000 2.046 140 L HA 0.011 4.350 4.340 -0.001 0.000 0.208 140 L C 0.440 177.379 176.870 0.115 0.000 1.077 140 L CA 1.311 56.186 54.840 0.058 0.000 0.747 140 L CB -0.364 41.738 42.059 0.071 0.000 0.896 140 L HN 0.068 nan 8.230 nan 0.000 0.432 141 L N 2.340 123.616 121.223 0.087 0.000 2.453 141 L HA 0.181 4.520 4.340 -0.001 0.000 0.272 141 L C -1.744 175.172 176.870 0.077 0.000 1.182 141 L CA -1.532 53.370 54.840 0.104 0.000 0.858 141 L CB -0.174 41.903 42.059 0.031 0.000 1.120 141 L HN 0.200 nan 8.230 nan 0.000 0.474 142 P HA 0.129 nan 4.420 nan 0.000 0.276 142 P C -0.684 176.645 177.300 0.047 0.000 1.244 142 P CA -0.538 62.595 63.100 0.055 0.000 0.801 142 P CB 1.182 32.910 31.700 0.048 0.000 1.006 143 S N 0.742 116.463 115.700 0.036 0.000 2.632 143 S HA 0.296 4.765 4.470 -0.001 0.000 0.267 143 S C -1.769 172.853 174.600 0.037 0.000 1.276 143 S CA -1.065 57.155 58.200 0.033 0.000 0.998 143 S CB 0.271 63.486 63.200 0.024 0.000 0.953 143 S HN 0.213 nan 8.310 nan 0.000 0.547 144 P HA -0.079 nan 4.420 nan 0.000 0.216 144 P C 1.380 178.701 177.300 0.034 0.000 1.150 144 P CA 0.792 63.918 63.100 0.042 0.000 0.837 144 P CB -0.043 31.682 31.700 0.041 0.000 0.786 145 I N -0.843 119.743 120.570 0.027 0.000 2.179 145 I HA -0.183 3.987 4.170 -0.001 0.000 0.242 145 I C 1.976 178.104 176.117 0.019 0.000 1.088 145 I CA 1.936 63.248 61.300 0.020 0.000 1.357 145 I CB -1.967 36.042 38.000 0.015 0.000 1.051 145 I HN 0.021 nan 8.210 nan 0.000 0.409 146 T N 1.660 116.226 114.554 0.020 0.000 2.788 146 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 146 T C 2.145 176.857 174.700 0.020 0.000 1.044 146 T CA 0.989 63.099 62.100 0.017 0.000 1.139 146 T CB -0.261 68.617 68.868 0.017 0.000 0.867 146 T HN 0.226 nan 8.240 nan 0.000 0.454 147 L N 0.646 121.886 121.223 0.029 0.000 2.056 147 L HA -0.092 4.247 4.340 -0.001 0.000 0.207 147 L C 2.888 179.778 176.870 0.034 0.000 1.078 147 L CA 1.035 55.896 54.840 0.035 0.000 0.749 147 L CB -0.686 41.402 42.059 0.049 0.000 0.901 147 L HN 0.284 nan 8.230 nan 0.000 0.433 148 S N -0.106 115.613 115.700 0.031 0.000 2.353 148 S HA -0.197 4.272 4.470 -0.001 0.000 0.222 148 S C 2.160 176.772 174.600 0.019 0.000 1.035 148 S CA 1.265 59.482 58.200 0.028 0.000 1.025 148 S CB -0.093 63.122 63.200 0.024 0.000 0.902 148 S HN 0.292 nan 8.310 nan 0.000 0.440 149 R N 0.450 120.958 120.500 0.013 0.000 2.091 149 R HA -0.111 4.228 4.340 -0.001 0.000 0.238 149 R C 2.450 178.754 176.300 0.005 0.000 1.136 149 R CA 1.664 57.767 56.100 0.005 0.000 0.959 149 R CB -0.351 29.950 30.300 0.003 0.000 0.856 149 R HN 0.269 nan 8.270 nan 0.000 0.437 150 K N 0.791 121.198 120.400 0.011 0.000 2.057 150 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 150 K C 1.853 178.464 176.600 0.018 0.000 1.049 150 K CA 1.313 57.606 56.287 0.011 0.000 0.931 150 K CB -0.444 32.064 32.500 0.013 0.000 0.714 150 K HN -0.052 nan 8.250 nan 0.000 0.440 151 V N 0.612 120.542 119.914 0.027 0.000 2.295 151 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 151 V C 2.117 178.223 176.094 0.019 0.000 1.049 151 V CA 2.382 64.701 62.300 0.032 0.000 1.024 151 V CB -0.773 31.075 31.823 0.042 0.000 0.648 151 V HN 0.467 nan 8.190 nan 0.000 0.447 152 T N 0.455 115.015 114.554 0.011 0.000 2.684 152 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 152 T C 2.105 176.794 174.700 -0.018 0.000 1.036 152 T CA 2.051 64.148 62.100 -0.005 0.000 1.148 152 T CB -0.359 68.503 68.868 -0.010 0.000 0.863 152 T HN 0.741 nan 8.240 nan 0.000 0.436 153 S N 1.469 117.160 115.700 -0.016 0.000 2.402 153 S HA -0.120 4.349 4.470 -0.001 0.000 0.229 153 S C 1.662 176.246 174.600 -0.027 0.000 1.021 153 S CA 1.037 59.222 58.200 -0.025 0.000 0.974 153 S CB -0.407 62.781 63.200 -0.020 0.000 0.800 153 S HN 0.300 nan 8.310 nan 0.000 0.484 154 D N 2.403 122.795 120.400 -0.014 0.000 2.117 154 D HA 0.124 4.763 4.640 -0.001 0.000 0.198 154 D C 2.278 178.551 176.300 -0.044 0.000 0.982 154 D CA 1.383 55.371 54.000 -0.022 0.000 0.828 154 D CB -0.674 40.134 40.800 0.014 0.000 0.967 154 D HN 0.525 nan 8.370 nan 0.000 0.464 155 A N 0.963 123.779 122.820 -0.007 0.000 1.933 155 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 155 A C 2.053 179.640 177.584 0.004 0.000 1.175 155 A CA 1.365 53.449 52.037 0.079 0.000 0.628 155 A CB -0.338 18.736 19.000 0.123 0.000 0.814 155 A HN 0.120 nan 8.150 nan 0.000 0.444 156 K N -0.403 119.958 120.400 -0.065 0.000 2.057 156 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 156 K C 1.985 178.529 176.600 -0.093 0.000 1.049 156 K CA 1.612 57.833 56.287 -0.110 0.000 0.931 156 K CB -0.205 32.237 32.500 -0.097 0.000 0.714 156 K HN 0.644 nan 8.250 nan 0.000 0.440 157 E N 0.671 120.824 120.200 -0.077 0.000 2.051 157 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 157 E C 1.929 178.458 176.600 -0.118 0.000 0.991 157 E CA 1.028 57.378 56.400 -0.083 0.000 0.799 157 E CB 0.098 29.753 29.700 -0.074 0.000 0.748 157 E HN 0.110 nan 8.360 nan 0.000 0.449 158 K N 1.182 121.473 120.400 -0.182 0.000 2.097 158 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 158 K C 1.889 178.471 176.600 -0.031 0.000 1.050 158 K CA 0.965 57.034 56.287 -0.363 0.000 0.938 158 K CB -0.214 31.747 32.500 -0.898 0.000 0.718 158 K HN 0.099 nan 8.250 nan 0.000 0.442 159 K N 0.595 121.031 120.400 0.060 0.000 2.097 159 K HA -0.045 4.275 4.320 -0.001 0.000 0.206 159 K C 2.155 178.747 176.600 -0.014 0.000 1.049 159 K CA 1.220 57.498 56.287 -0.014 0.000 0.933 159 K CB -0.109 32.190 32.500 -0.336 0.000 0.717 159 K HN 0.114 nan 8.250 nan 0.000 0.442 160 A N 1.133 123.924 122.820 -0.049 0.000 1.929 160 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 160 A C 2.039 179.618 177.584 -0.009 0.000 1.176 160 A CA 0.809 52.825 52.037 -0.035 0.000 0.628 160 A CB -0.355 18.616 19.000 -0.047 0.000 0.816 160 A HN 0.174 nan 8.150 nan 0.000 0.444 161 L N 0.371 121.585 121.223 -0.016 0.000 2.046 161 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 161 L C 1.957 178.843 176.870 0.027 0.000 1.077 161 L CA 2.165 57.004 54.840 -0.001 0.000 0.747 161 L CB -0.308 41.738 42.059 -0.023 0.000 0.896 161 L HN 0.609 nan 8.230 nan 0.000 0.432 162 I N -4.795 115.812 120.570 0.062 0.000 3.976 162 I HA 0.367 4.536 4.170 -0.001 0.000 0.337 162 I C 1.901 178.084 176.117 0.110 0.000 1.359 162 I CA 0.436 61.788 61.300 0.087 0.000 1.098 162 I CB -0.723 37.339 38.000 0.102 0.000 1.027 162 I HN 0.059 nan 8.210 nan 0.000 0.394 163 G N 2.095 110.946 108.800 0.086 0.000 2.476 163 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 163 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 163 G C 1.790 176.718 174.900 0.046 0.000 1.164 163 G CA 0.692 45.837 45.100 0.075 0.000 0.768 163 G HN 0.396 nan 8.290 nan 0.000 0.560 164 R N 0.114 120.633 120.500 0.032 0.000 2.081 164 R HA -0.036 4.303 4.340 -0.001 0.000 0.235 164 R C 2.489 178.790 176.300 0.002 0.000 1.131 164 R CA 1.321 57.431 56.100 0.018 0.000 0.960 164 R CB -0.360 29.951 30.300 0.019 0.000 0.856 164 R HN 0.557 nan 8.270 nan 0.000 0.436 165 E N 1.064 121.274 120.200 0.016 0.000 2.077 165 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 165 E C 1.950 178.452 176.600 -0.163 0.000 0.989 165 E CA 1.152 57.548 56.400 -0.006 0.000 0.800 165 E CB -0.015 29.750 29.700 0.109 0.000 0.746 165 E HN 0.281 nan 8.360 nan 0.000 0.452 166 I N 0.676 121.164 120.570 -0.135 0.000 2.179 166 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 166 I C 2.413 178.434 176.117 -0.162 0.000 1.088 166 I CA 1.283 62.439 61.300 -0.240 0.000 1.357 166 I CB -0.196 37.784 38.000 -0.033 0.000 1.051 166 I HN 0.070 nan 8.210 nan 0.000 0.409 167 K N 0.079 120.444 120.400 -0.057 0.000 2.097 167 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 167 K C 2.324 178.894 176.600 -0.049 0.000 1.049 167 K CA 1.559 57.829 56.287 -0.029 0.000 0.933 167 K CB -0.246 32.257 32.500 0.005 0.000 0.717 167 K HN 0.160 nan 8.250 nan 0.000 0.442 168 S N 0.706 116.369 115.700 -0.062 0.000 2.368 168 S HA -0.117 4.352 4.470 -0.001 0.000 0.224 168 S C 2.084 176.641 174.600 -0.072 0.000 1.029 168 S CA 1.123 59.293 58.200 -0.050 0.000 0.988 168 S CB -0.164 63.016 63.200 -0.035 0.000 0.838 168 S HN 0.360 nan 8.310 nan 0.000 0.462 169 A N 0.835 123.561 122.820 -0.157 0.000 1.902 169 A HA -0.000 4.319 4.320 -0.001 0.000 0.217 169 A C 2.341 179.876 177.584 -0.081 0.000 1.181 169 A CA 1.803 53.745 52.037 -0.158 0.000 0.623 169 A CB -1.065 17.667 19.000 -0.447 0.000 0.818 169 A HN 0.449 nan 8.150 nan 0.000 0.443 170 V N 0.201 120.057 119.914 -0.097 0.000 2.261 170 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 170 V C 2.457 178.534 176.094 -0.028 0.000 1.047 170 V CA 2.256 64.519 62.300 -0.061 0.000 1.015 170 V CB -0.860 30.926 31.823 -0.061 0.000 0.642 170 V HN 0.617 nan 8.190 nan 0.000 0.446 171 E N 0.073 120.261 120.200 -0.020 0.000 2.085 171 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 171 E C 1.368 177.978 176.600 0.016 0.000 0.994 171 E CA 0.831 57.232 56.400 0.002 0.000 0.801 171 E CB -0.108 29.595 29.700 0.004 0.000 0.743 171 E HN 0.417 nan 8.360 nan 0.000 0.453 172 K N 1.192 121.602 120.400 0.016 0.000 2.627 172 K HA 0.020 4.339 4.320 -0.001 0.000 0.212 172 K C -0.350 176.283 176.600 0.054 0.000 1.041 172 K CA 0.033 56.341 56.287 0.035 0.000 1.205 172 K CB 0.093 32.615 32.500 0.036 0.000 0.936 172 K HN 0.013 nan 8.250 nan 0.000 0.489 173 D N 0.105 120.536 120.400 0.052 0.000 2.837 173 D HA -0.145 4.494 4.640 -0.001 0.000 0.230 173 D C 0.719 177.080 176.300 0.102 0.000 1.152 173 D CA 1.311 55.357 54.000 0.077 0.000 0.736 173 D CB -1.083 39.770 40.800 0.089 0.000 1.084 173 D HN 0.555 nan 8.370 nan 0.000 0.429 174 G N -1.220 107.636 108.800 0.093 0.000 3.453 174 G HA2 0.521 4.480 3.960 -0.001 0.000 0.263 174 G HA3 0.521 4.480 3.960 -0.001 0.000 0.263 174 G C 0.357 175.350 174.900 0.154 0.000 1.060 174 G CA 0.573 45.766 45.100 0.154 0.000 0.793 174 G HN 0.499 nan 8.290 nan 0.000 0.532 175 A N 0.552 123.415 122.820 0.071 0.000 2.340 175 A HA 0.856 5.175 4.320 -0.001 0.000 0.331 175 A C 0.057 177.631 177.584 -0.016 0.000 1.140 175 A CA -0.229 51.843 52.037 0.058 0.000 0.801 175 A CB 1.460 20.451 19.000 -0.015 0.000 1.234 175 A HN 0.793 nan 8.150 nan 0.000 0.469 176 S N -0.175 115.542 115.700 0.028 0.000 2.627 176 S HA 0.903 5.372 4.470 -0.001 0.000 0.283 176 S C -0.610 174.005 174.600 0.025 0.000 1.127 176 S CA -0.179 57.982 58.200 -0.065 0.000 0.863 176 S CB 1.826 65.004 63.200 -0.036 0.000 1.121 176 S HN 2.173 nan 8.310 nan 0.000 0.479 177 A N 1.471 124.254 122.820 -0.061 0.000 2.398 177 A HA 0.775 5.094 4.320 -0.001 0.000 0.301 177 A C -0.119 177.611 177.584 0.242 0.000 1.041 177 A CA -0.734 51.386 52.037 0.139 0.000 0.711 177 A CB 1.122 20.185 19.000 0.104 0.000 1.240 177 A HN 1.273 nan 8.150 nan 0.000 0.420 178 T N 0.644 115.419 114.554 0.368 0.000 2.806 178 T HA 0.632 4.981 4.350 -0.001 0.000 0.290 178 T C -0.159 174.754 174.700 0.354 0.000 0.966 178 T CA -0.483 61.813 62.100 0.327 0.000 1.060 178 T CB 0.568 69.634 68.868 0.330 0.000 0.927 178 T HN 0.358 nan 8.240 nan 0.000 0.485 179 I N 3.056 123.832 120.570 0.344 0.000 2.359 179 I HA 0.355 4.525 4.170 -0.001 0.000 0.284 179 I C -0.254 176.048 176.117 0.309 0.000 1.018 179 I CA -0.742 60.752 61.300 0.324 0.000 1.173 179 I CB 0.853 39.042 38.000 0.315 0.000 1.326 179 I HN 0.742 nan 8.210 nan 0.000 0.462 180 D N 7.322 127.924 120.400 0.337 0.000 2.303 180 D HA 0.556 5.195 4.640 -0.001 0.000 0.236 180 D C -0.965 175.529 176.300 0.324 0.000 1.068 180 D CA -0.143 54.087 54.000 0.384 0.000 0.830 180 D CB 1.174 42.306 40.800 0.553 0.000 1.109 180 D HN 0.352 nan 8.370 nan 0.000 0.496 181 L N 4.742 126.138 121.223 0.289 0.000 2.356 181 L HA 0.659 4.998 4.340 -0.001 0.000 0.277 181 L C -1.058 175.977 176.870 0.274 0.000 0.996 181 L CA -0.903 54.044 54.840 0.179 0.000 0.822 181 L CB 1.255 43.383 42.059 0.116 0.000 1.256 181 L HN 0.506 nan 8.230 nan 0.000 0.413 182 W N 1.929 123.244 121.300 0.025 0.000 3.167 182 W HA 0.713 5.372 4.660 -0.002 0.000 0.324 182 W C -1.435 175.147 176.519 0.106 0.000 1.230 182 W CA -0.798 56.542 57.345 -0.008 0.000 1.184 182 W CB 1.051 30.459 29.460 -0.087 0.000 1.414 182 W HN 0.184 nan 8.180 nan 0.000 0.551 183 T N 2.726 117.435 114.554 0.258 0.000 2.767 183 T HA 0.162 4.511 4.350 -0.001 0.000 0.284 183 T C -1.255 173.664 174.700 0.365 0.000 0.973 183 T CA -0.184 62.059 62.100 0.238 0.000 0.996 183 T CB 0.828 69.794 68.868 0.165 0.000 0.927 183 T HN 0.433 nan 8.240 nan 0.000 0.456 184 D N 2.435 123.058 120.400 0.372 0.000 2.412 184 D HA 0.219 4.858 4.640 -0.001 0.000 0.224 184 D C 0.533 177.032 176.300 0.332 0.000 1.093 184 D CA -0.420 53.818 54.000 0.395 0.000 0.850 184 D CB 0.683 41.775 40.800 0.487 0.000 1.046 184 D HN 0.415 nan 8.370 nan 0.000 0.507 185 N N 2.338 121.223 118.700 0.308 0.000 2.494 185 N HA -0.106 4.633 4.740 -0.001 0.000 0.182 185 N C 0.811 176.468 175.510 0.245 0.000 1.076 185 N CA 0.181 53.406 53.050 0.291 0.000 0.908 185 N CB 0.304 38.924 38.487 0.222 0.000 0.967 185 N HN 0.415 nan 8.380 nan 0.000 0.449 186 Y N 1.019 121.390 120.300 0.118 0.000 2.201 186 Y HA 0.099 4.648 4.550 -0.002 0.000 0.292 186 Y C 1.675 177.603 175.900 0.046 0.000 1.119 186 Y CA 0.906 59.050 58.100 0.074 0.000 1.127 186 Y CB 0.022 38.521 38.460 0.064 0.000 1.019 186 Y HN -0.028 nan 8.280 nan 0.000 0.514 187 I N 0.630 121.192 120.570 -0.014 0.000 2.928 187 I HA -0.140 4.029 4.170 -0.001 0.000 0.266 187 I C 0.190 176.160 176.117 -0.244 0.000 1.234 187 I CA 0.927 62.150 61.300 -0.128 0.000 1.483 187 I CB -1.081 36.959 38.000 0.067 0.000 1.097 187 I HN 0.141 nan 8.210 nan 0.000 0.455 188 K N 1.878 122.144 120.400 -0.224 0.000 3.619 188 K HA -0.204 4.115 4.320 -0.001 0.000 0.275 188 K C -0.115 175.782 176.600 -1.171 0.000 0.993 188 K CA 0.459 56.392 56.287 -0.590 0.000 0.787 188 K CB -1.238 31.012 32.500 -0.417 0.000 1.431 188 K HN 0.337 nan 8.250 nan 0.000 0.451 189 R N 0.422 120.420 120.500 -0.837 0.000 2.629 189 R HA 0.364 4.703 4.340 -0.001 0.000 0.266 189 R C -1.012 175.061 176.300 -0.379 0.000 1.051 189 R CA -0.664 54.988 56.100 -0.746 0.000 0.895 189 R CB 0.984 30.889 30.300 -0.659 0.000 1.246 189 R HN 0.126 nan 8.270 nan 0.000 0.459 190 N N 2.026 120.528 118.700 -0.330 0.000 2.473 190 N HA 0.406 5.145 4.740 -0.001 0.000 0.291 190 N C -1.119 174.005 175.510 -0.642 0.000 1.083 190 N CA -0.008 52.899 53.050 -0.238 0.000 0.951 190 N CB 0.814 39.273 38.487 -0.047 0.000 1.164 190 N HN 0.281 nan 8.380 nan 0.000 0.480 191 F N 0.936 120.462 119.950 -0.708 0.000 2.480 191 F HA 0.465 4.991 4.527 -0.002 0.000 0.329 191 F C 0.081 175.426 175.800 -0.760 0.000 1.091 191 F CA -0.959 56.468 58.000 -0.956 0.000 0.972 191 F CB 1.472 39.382 39.000 -1.816 0.000 1.150 191 F HN 0.167 nan 8.300 nan 0.000 0.467 192 L N 3.107 124.130 121.223 -0.333 0.000 2.388 192 L HA 0.699 5.039 4.340 -0.001 0.000 0.267 192 L C -0.356 176.430 176.870 -0.141 0.000 0.995 192 L CA -0.043 54.695 54.840 -0.169 0.000 0.864 192 L CB 1.022 43.018 42.059 -0.105 0.000 1.216 192 L HN 0.601 nan 8.230 nan 0.000 0.430 193 G N 3.906 112.647 108.800 -0.099 0.000 2.348 193 G HA2 0.582 4.541 3.960 -0.001 0.000 0.312 193 G HA3 0.582 4.541 3.960 -0.001 0.000 0.312 193 G C -1.323 173.705 174.900 0.213 0.000 1.126 193 G CA -0.407 44.644 45.100 -0.081 0.000 0.865 193 G HN 0.394 nan 8.290 nan 0.000 0.474 194 V N 1.963 122.008 119.914 0.219 0.000 2.483 194 V HA 0.564 4.683 4.120 -0.001 0.000 0.297 194 V C -0.165 176.022 176.094 0.155 0.000 1.027 194 V CA -0.571 61.832 62.300 0.172 0.000 0.855 194 V CB 1.875 33.702 31.823 0.006 0.000 0.995 194 V HN 0.810 nan 8.190 nan 0.000 0.424 195 T N 5.817 120.473 114.554 0.171 0.000 2.848 195 T HA 0.565 4.914 4.350 -0.001 0.000 0.285 195 T C -0.693 173.953 174.700 -0.090 0.000 0.995 195 T CA -0.388 61.723 62.100 0.019 0.000 0.970 195 T CB 1.711 70.601 68.868 0.037 0.000 0.976 195 T HN 0.405 nan 8.240 nan 0.000 0.441 196 L N 4.345 125.457 121.223 -0.185 0.000 2.326 196 L HA 0.446 4.786 4.340 -0.001 0.000 0.278 196 L C -0.567 176.156 176.870 -0.246 0.000 1.092 196 L CA 0.023 54.821 54.840 -0.070 0.000 0.810 196 L CB 0.290 42.358 42.059 0.015 0.000 1.153 196 L HN 0.645 nan 8.230 nan 0.000 0.439 197 H N 5.509 124.677 119.070 0.164 0.000 2.589 197 H HA 0.481 5.036 4.556 -0.001 0.000 0.351 197 H C -1.275 174.196 175.328 0.238 0.000 1.074 197 H CA -0.256 55.868 56.048 0.128 0.000 1.203 197 H CB 1.583 31.384 29.762 0.064 0.000 1.558 197 H HN 0.714 nan 8.280 nan 0.000 0.522 198 Y N -0.381 120.003 120.300 0.141 0.000 2.900 198 Y HA 0.493 5.042 4.550 -0.002 0.000 0.318 198 Y C -1.066 174.918 175.900 0.140 0.000 1.457 198 Y CA -1.316 56.860 58.100 0.126 0.000 1.082 198 Y CB 1.318 39.816 38.460 0.063 0.000 1.419 198 Y HN 0.720 nan 8.280 nan 0.000 0.459 199 H N -1.154 117.999 119.070 0.138 0.000 2.865 199 H HA 0.770 5.325 4.556 -0.001 0.000 0.372 199 H C -1.726 173.660 175.328 0.098 0.000 1.173 199 H CA -1.030 55.021 56.048 0.005 0.000 1.147 199 H CB 2.520 32.303 29.762 0.035 0.000 1.805 199 H HN 0.664 nan 8.280 nan 0.000 0.553 200 E N 2.455 122.575 120.200 -0.134 0.000 2.316 200 E HA 0.282 4.631 4.350 -0.001 0.000 0.254 200 E C -0.513 176.117 176.600 0.050 0.000 0.902 200 E CA -0.411 55.938 56.400 -0.085 0.000 0.801 200 E CB 0.118 29.816 29.700 -0.004 0.000 1.270 200 E HN 0.839 nan 8.360 nan 0.000 0.414 201 N N 3.337 122.118 118.700 0.135 0.000 1.293 201 N HA -0.291 4.448 4.740 -0.001 0.000 0.140 201 N C 0.435 176.077 175.510 0.220 0.000 0.753 201 N CA 1.455 54.614 53.050 0.181 0.000 0.979 201 N CB -1.118 37.422 38.487 0.087 0.000 1.228 201 N HN 0.594 nan 8.380 nan 0.000 0.509 202 N N 2.627 121.393 118.700 0.110 0.000 2.457 202 N HA 0.017 4.756 4.740 -0.001 0.000 0.180 202 N C -0.266 175.279 175.510 0.059 0.000 1.050 202 N CA 0.678 53.774 53.050 0.078 0.000 0.906 202 N CB -0.016 38.493 38.487 0.036 0.000 0.968 202 N HN 0.446 nan 8.380 nan 0.000 0.445 203 E N 0.675 120.899 120.200 0.041 0.000 2.249 203 E HA 0.167 4.517 4.350 -0.001 0.000 0.280 203 E C -0.429 176.153 176.600 -0.029 0.000 1.016 203 E CA -0.621 55.765 56.400 -0.022 0.000 0.830 203 E CB 1.562 31.207 29.700 -0.092 0.000 1.081 203 E HN -0.087 nan 8.360 nan 0.000 0.395 204 L N 2.862 124.052 121.223 -0.054 0.000 2.312 204 L HA 0.333 4.673 4.340 -0.001 0.000 0.281 204 L C 0.069 176.812 176.870 -0.210 0.000 1.070 204 L CA -0.228 54.572 54.840 -0.066 0.000 0.805 204 L CB 0.805 42.859 42.059 -0.008 0.000 1.174 204 L HN 0.392 nan 8.230 nan 0.000 0.434 205 R N 2.278 122.568 120.500 -0.350 0.000 2.494 205 R HA 0.453 4.792 4.340 -0.001 0.000 0.305 205 R C -0.952 175.152 176.300 -0.328 0.000 0.959 205 R CA -0.634 55.151 56.100 -0.525 0.000 0.864 205 R CB 1.237 30.858 30.300 -1.131 0.000 1.159 205 R HN 0.584 nan 8.270 nan 0.000 0.446 206 D N 4.133 124.395 120.400 -0.231 0.000 2.469 206 D HA 0.205 4.844 4.640 -0.001 0.000 0.251 206 D C -0.814 175.382 176.300 -0.173 0.000 1.173 206 D CA -0.373 53.488 54.000 -0.233 0.000 0.882 206 D CB 0.957 41.709 40.800 -0.080 0.000 1.129 206 D HN 0.272 nan 8.370 nan 0.000 0.549 207 L N 2.366 123.509 121.223 -0.134 0.000 2.305 207 L HA 0.456 4.795 4.340 -0.001 0.000 0.284 207 L C 0.403 177.276 176.870 0.005 0.000 1.013 207 L CA -1.030 53.826 54.840 0.026 0.000 0.819 207 L CB 1.978 44.167 42.059 0.217 0.000 1.227 207 L HN 0.282 nan 8.230 nan 0.000 0.417 208 I N 4.273 124.889 120.570 0.078 0.000 2.452 208 I HA 0.009 4.178 4.170 -0.001 0.000 0.287 208 I C 1.031 177.258 176.117 0.183 0.000 1.079 208 I CA 0.139 61.518 61.300 0.131 0.000 1.387 208 I CB 0.948 39.056 38.000 0.180 0.000 1.404 208 I HN 0.657 nan 8.210 nan 0.000 0.522 209 L N 5.957 127.192 121.223 0.020 0.000 2.408 209 L HA 0.407 4.746 4.340 -0.001 0.000 0.215 209 L C 0.952 177.894 176.870 0.119 0.000 1.081 209 L CA 0.007 54.784 54.840 -0.105 0.000 0.840 209 L CB -0.158 41.568 42.059 -0.556 0.000 1.002 209 L HN 0.772 nan 8.230 nan 0.000 0.468 210 G N 0.305 109.173 108.800 0.113 0.000 2.519 210 G HA2 0.445 4.404 3.960 -0.001 0.000 0.292 210 G HA3 0.445 4.404 3.960 -0.001 0.000 0.292 210 G C -2.332 172.619 174.900 0.084 0.000 1.507 210 G CA -0.424 44.739 45.100 0.106 0.000 0.806 210 G HN -0.182 nan 8.290 nan 0.000 0.523 211 L N 1.178 122.426 121.223 0.042 0.000 2.492 211 L HA 0.566 4.905 4.340 -0.001 0.000 0.258 211 L C -0.628 176.236 176.870 -0.011 0.000 1.028 211 L CA -1.056 53.746 54.840 -0.064 0.000 0.900 211 L CB 1.081 43.079 42.059 -0.102 0.000 1.191 211 L HN 0.333 nan 8.230 nan 0.000 0.459 212 K N 2.093 122.455 120.400 -0.063 0.000 2.234 212 K HA 0.340 4.660 4.320 -0.001 0.000 0.282 212 K C -0.065 176.392 176.600 -0.238 0.000 1.039 212 K CA -0.183 56.042 56.287 -0.103 0.000 0.928 212 K CB 1.726 34.161 32.500 -0.108 0.000 1.039 212 K HN 0.513 nan 8.250 nan 0.000 0.470 213 S N 4.241 119.749 115.700 -0.321 0.000 2.411 213 S HA 0.322 4.791 4.470 -0.001 0.000 0.294 213 S C -0.506 173.781 174.600 -0.521 0.000 1.115 213 S CA -0.766 56.989 58.200 -0.742 0.000 1.071 213 S CB -0.092 62.783 63.200 -0.541 0.000 0.967 213 S HN 0.283 nan 8.310 nan 0.000 0.488 214 L N 4.214 125.108 121.223 -0.549 0.000 2.331 214 L HA 0.520 4.859 4.340 -0.001 0.000 0.275 214 L C 0.323 177.001 176.870 -0.320 0.000 1.022 214 L CA -0.532 54.108 54.840 -0.334 0.000 0.812 214 L CB 1.386 43.308 42.059 -0.229 0.000 1.257 214 L HN 0.640 nan 8.230 nan 0.000 0.435 215 D N 1.349 121.616 120.400 -0.222 0.000 2.390 215 D HA 0.014 4.653 4.640 -0.001 0.000 0.249 215 D C 1.166 177.439 176.300 -0.044 0.000 1.144 215 D CA 0.283 54.165 54.000 -0.196 0.000 0.880 215 D CB 0.504 41.226 40.800 -0.129 0.000 1.182 215 D HN 0.396 nan 8.370 nan 0.000 0.451 216 F N 1.386 121.266 119.950 -0.116 0.000 2.192 216 F HA -0.198 4.328 4.527 -0.002 0.000 0.301 216 F C 2.025 177.786 175.800 -0.065 0.000 1.079 216 F CA 0.715 58.662 58.000 -0.088 0.000 1.303 216 F CB 0.207 39.167 39.000 -0.068 0.000 1.024 216 F HN 0.478 nan 8.300 nan 0.000 0.494 217 E N -0.354 119.926 120.200 0.133 0.000 2.478 217 E HA -0.019 4.330 4.350 -0.001 0.000 0.194 217 E C 0.825 177.441 176.600 0.025 0.000 1.045 217 E CA 0.089 56.525 56.400 0.061 0.000 0.868 217 E CB 0.153 29.877 29.700 0.039 0.000 0.885 217 E HN 0.244 nan 8.360 nan 0.000 0.505 218 R N 0.514 121.022 120.500 0.013 0.000 2.935 218 R HA 0.247 4.586 4.340 -0.001 0.000 0.354 218 R C 0.121 176.417 176.300 -0.006 0.000 1.206 218 R CA 0.043 56.138 56.100 -0.007 0.000 1.082 218 R CB 0.677 30.957 30.300 -0.033 0.000 1.431 218 R HN -0.112 nan 8.270 nan 0.000 0.582 219 S N 0.446 116.153 115.700 0.011 0.000 2.741 219 S HA 0.034 4.503 4.470 -0.001 0.000 0.247 219 S C 0.704 175.311 174.600 0.012 0.000 1.050 219 S CA -0.386 57.820 58.200 0.009 0.000 1.025 219 S CB 0.818 64.032 63.200 0.023 0.000 0.897 219 S HN 0.433 nan 8.310 nan 0.000 0.508 220 T N -0.693 113.869 114.554 0.013 0.000 2.754 220 T HA 0.613 4.962 4.350 -0.001 0.000 0.286 220 T C 1.662 176.377 174.700 0.025 0.000 0.997 220 T CA -0.070 62.039 62.100 0.016 0.000 0.982 220 T CB 0.724 69.601 68.868 0.014 0.000 1.027 220 T HN 0.073 nan 8.240 nan 0.000 0.529 221 A N 0.429 123.264 122.820 0.024 0.000 1.908 221 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 221 A C 2.227 179.845 177.584 0.057 0.000 1.181 221 A CA 1.816 53.873 52.037 0.032 0.000 0.627 221 A CB -1.170 17.836 19.000 0.010 0.000 0.818 221 A HN 0.905 nan 8.150 nan 0.000 0.445 222 E N 0.441 120.667 120.200 0.045 0.000 2.085 222 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 222 E C 1.781 178.436 176.600 0.093 0.000 0.994 222 E CA 1.735 58.177 56.400 0.071 0.000 0.801 222 E CB -0.482 29.241 29.700 0.040 0.000 0.743 222 E HN 0.818 nan 8.360 nan 0.000 0.453 223 N N -0.117 118.616 118.700 0.054 0.000 2.142 223 N HA -0.088 4.651 4.740 -0.001 0.000 0.186 223 N C 1.776 177.308 175.510 0.037 0.000 1.023 223 N CA 0.986 54.057 53.050 0.035 0.000 0.852 223 N CB -0.116 38.378 38.487 0.011 0.000 0.998 223 N HN 0.076 nan 8.380 nan 0.000 0.424 224 I N -0.005 120.594 120.570 0.048 0.000 2.179 224 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 224 I C 2.134 178.292 176.117 0.068 0.000 1.088 224 I CA 1.152 62.479 61.300 0.046 0.000 1.357 224 I CB -0.324 37.708 38.000 0.052 0.000 1.051 224 I HN 0.198 nan 8.210 nan 0.000 0.409 225 Y N 1.823 122.115 120.300 -0.013 0.000 2.165 225 Y HA -0.322 4.227 4.550 -0.002 0.000 0.286 225 Y C 2.607 178.516 175.900 0.016 0.000 1.155 225 Y CA 1.902 59.993 58.100 -0.016 0.000 1.164 225 Y CB -0.245 38.196 38.460 -0.032 0.000 0.978 225 Y HN 0.004 nan 8.280 nan 0.000 0.513 226 K N 0.061 120.472 120.400 0.019 0.000 2.057 226 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 226 K C 2.175 178.731 176.600 -0.073 0.000 1.049 226 K CA 1.438 57.702 56.287 -0.039 0.000 0.931 226 K CB -0.047 32.469 32.500 0.027 0.000 0.714 226 K HN 0.106 nan 8.250 nan 0.000 0.440 227 K N 0.850 121.224 120.400 -0.043 0.000 2.057 227 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 227 K C 2.179 178.760 176.600 -0.031 0.000 1.049 227 K CA 1.191 57.455 56.287 -0.038 0.000 0.931 227 K CB -0.347 32.133 32.500 -0.034 0.000 0.714 227 K HN 0.246 nan 8.250 nan 0.000 0.440 228 L N 1.084 122.288 121.223 -0.031 0.000 1.989 228 L HA -0.218 4.121 4.340 -0.001 0.000 0.211 228 L C 2.490 179.430 176.870 0.116 0.000 1.071 228 L CA 1.288 56.170 54.840 0.069 0.000 0.749 228 L CB -0.478 41.627 42.059 0.077 0.000 0.890 228 L HN 0.097 nan 8.230 nan 0.000 0.431 229 K N 0.279 120.608 120.400 -0.118 0.000 2.044 229 K HA -0.181 4.139 4.320 -0.001 0.000 0.210 229 K C 2.168 178.794 176.600 0.043 0.000 1.049 229 K CA 1.662 57.906 56.287 -0.072 0.000 0.927 229 K CB -0.551 31.806 32.500 -0.239 0.000 0.713 229 K HN 0.318 nan 8.250 nan 0.000 0.443 230 A N 1.232 124.051 122.820 -0.002 0.000 1.902 230 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 230 A C 2.317 179.915 177.584 0.024 0.000 1.181 230 A CA 1.357 53.397 52.037 0.006 0.000 0.623 230 A CB -0.563 18.426 19.000 -0.018 0.000 0.818 230 A HN 0.219 nan 8.150 nan 0.000 0.443 231 I N -1.893 118.684 120.570 0.011 0.000 2.179 231 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 231 I C 2.201 178.318 176.117 -0.000 0.000 1.088 231 I CA 1.435 62.713 61.300 -0.037 0.000 1.357 231 I CB -0.347 37.557 38.000 -0.161 0.000 1.051 231 I HN 0.331 nan 8.210 nan 0.000 0.409 232 F N 0.268 120.290 119.950 0.119 0.000 2.234 232 F HA -0.154 4.372 4.527 -0.001 0.000 0.299 232 F C 2.689 178.572 175.800 0.139 0.000 1.087 232 F CA 1.043 59.126 58.000 0.138 0.000 1.340 232 F CB -0.476 38.574 39.000 0.084 0.000 1.031 232 F HN -0.065 nan 8.300 nan 0.000 0.500 233 S N -0.481 115.346 115.700 0.213 0.000 2.423 233 S HA -0.200 4.270 4.470 -0.001 0.000 0.231 233 S C 1.836 176.462 174.600 0.043 0.000 1.014 233 S CA 0.892 59.158 58.200 0.111 0.000 0.965 233 S CB -0.337 62.897 63.200 0.058 0.000 0.785 233 S HN 0.471 nan 8.310 nan 0.000 0.495 234 Q N -0.665 119.142 119.800 0.013 0.000 2.364 234 Q HA 0.012 4.351 4.340 -0.001 0.000 0.207 234 Q C 0.357 176.108 176.000 -0.416 0.000 0.970 234 Q CA 0.890 56.578 55.803 -0.192 0.000 0.888 234 Q CB -0.080 28.510 28.738 -0.247 0.000 0.951 234 Q HN 0.541 nan 8.270 nan 0.000 0.469 235 F N 0.025 119.924 119.950 -0.085 0.000 2.668 235 F HA 0.233 4.759 4.527 -0.002 0.000 0.301 235 F C 0.077 175.861 175.800 -0.027 0.000 1.106 235 F CA -0.464 57.482 58.000 -0.090 0.000 1.289 235 F CB 0.482 39.429 39.000 -0.089 0.000 1.006 235 F HN -0.045 nan 8.300 nan 0.000 0.535 236 N N 0.210 118.963 118.700 0.088 0.000 2.747 236 N HA -0.160 4.579 4.740 -0.001 0.000 0.249 236 N C -0.780 174.793 175.510 0.106 0.000 1.107 236 N CA 0.449 53.541 53.050 0.069 0.000 0.707 236 N CB -1.519 36.984 38.487 0.027 0.000 1.054 236 N HN 0.053 nan 8.380 nan 0.000 0.555 237 V N 1.264 121.281 119.914 0.171 0.000 2.311 237 V HA 0.166 4.285 4.120 -0.001 0.000 0.275 237 V C 1.139 177.312 176.094 0.132 0.000 1.022 237 V CA -0.312 62.079 62.300 0.151 0.000 0.830 237 V CB 1.734 33.690 31.823 0.222 0.000 1.012 237 V HN 0.052 nan 8.190 nan 0.000 0.452 238 E N 1.561 121.808 120.200 0.077 0.000 2.364 238 E HA 0.087 4.436 4.350 -0.001 0.000 0.196 238 E C 0.342 176.969 176.600 0.045 0.000 0.990 238 E CA 0.211 56.649 56.400 0.063 0.000 0.886 238 E CB 0.494 30.224 29.700 0.050 0.000 0.866 238 E HN 0.618 nan 8.360 nan 0.000 0.493 239 D N 0.712 121.130 120.400 0.029 0.000 2.392 239 D HA 0.185 4.824 4.640 -0.001 0.000 0.228 239 D C 0.517 176.810 176.300 -0.012 0.000 1.074 239 D CA -0.271 53.743 54.000 0.024 0.000 0.838 239 D CB 0.962 41.779 40.800 0.028 0.000 1.067 239 D HN -0.059 nan 8.370 nan 0.000 0.511 240 L N 2.373 123.594 121.223 -0.003 0.000 2.628 240 L HA 0.076 4.415 4.340 -0.001 0.000 0.229 240 L C 2.048 178.954 176.870 0.060 0.000 1.137 240 L CA -0.208 54.611 54.840 -0.035 0.000 0.909 240 L CB -0.029 42.036 42.059 0.012 0.000 1.137 240 L HN 0.209 nan 8.230 nan 0.000 0.470 241 S N 0.349 116.086 115.700 0.062 0.000 2.372 241 S HA -0.211 4.258 4.470 -0.001 0.000 0.227 241 S C 1.989 176.636 174.600 0.079 0.000 1.044 241 S CA 2.045 60.294 58.200 0.081 0.000 1.050 241 S CB -0.124 63.114 63.200 0.063 0.000 0.901 241 S HN 0.423 nan 8.310 nan 0.000 0.447 242 S N 0.478 116.199 115.700 0.037 0.000 2.593 242 S HA 0.305 4.774 4.470 -0.001 0.000 0.217 242 S C 0.480 175.062 174.600 -0.031 0.000 0.966 242 S CA -0.060 58.158 58.200 0.030 0.000 0.914 242 S CB -0.148 63.069 63.200 0.028 0.000 0.776 242 S HN 0.357 nan 8.310 nan 0.000 0.523 243 I N 2.470 122.976 120.570 -0.107 0.000 2.416 243 I HA 0.144 4.313 4.170 -0.001 0.000 0.288 243 I C -0.185 175.722 176.117 -0.350 0.000 1.051 243 I CA -0.440 60.666 61.300 -0.322 0.000 1.375 243 I CB 0.683 38.281 38.000 -0.669 0.000 1.407 243 I HN -0.189 nan 8.210 nan 0.000 0.516 244 K N 6.496 126.685 120.400 -0.351 0.000 2.285 244 K HA 0.380 4.699 4.320 -0.001 0.000 0.286 244 K C -0.928 175.463 176.600 -0.348 0.000 1.072 244 K CA 0.084 56.165 56.287 -0.343 0.000 0.913 244 K CB 0.265 32.465 32.500 -0.500 0.000 1.067 244 K HN 0.209 nan 8.250 nan 0.000 0.479 245 F N 1.675 121.576 119.950 -0.081 0.000 2.394 245 F HA 0.351 4.877 4.527 -0.001 0.000 0.340 245 F C 0.219 176.021 175.800 0.003 0.000 1.105 245 F CA -0.860 57.147 58.000 0.013 0.000 1.124 245 F CB 1.144 40.178 39.000 0.057 0.000 1.145 245 F HN 0.051 nan 8.300 nan 0.000 0.505 246 V N 2.370 122.414 119.914 0.217 0.000 2.376 246 V HA 0.588 4.707 4.120 -0.001 0.000 0.287 246 V C -0.202 176.032 176.094 0.233 0.000 1.015 246 V CA -0.529 61.870 62.300 0.165 0.000 0.834 246 V CB 1.418 33.300 31.823 0.099 0.000 1.001 246 V HN 0.907 nan 8.190 nan 0.000 0.428 247 T N 0.393 115.080 114.554 0.222 0.000 2.865 247 T HA 0.655 5.004 4.350 -0.001 0.000 0.294 247 T C -0.687 174.147 174.700 0.222 0.000 1.119 247 T CA -0.815 61.425 62.100 0.232 0.000 1.007 247 T CB 2.188 71.180 68.868 0.207 0.000 1.225 247 T HN 0.630 nan 8.240 nan 0.000 0.515 248 D N 0.081 120.625 120.400 0.240 0.000 2.433 248 D HA 0.267 4.906 4.640 -0.001 0.000 0.255 248 D C 0.722 177.169 176.300 0.245 0.000 1.226 248 D CA -0.892 53.255 54.000 0.245 0.000 1.015 248 D CB 0.548 41.408 40.800 0.100 0.000 1.091 248 D HN 0.598 nan 8.370 nan 0.000 0.527 249 R N -0.451 120.258 120.500 0.348 0.000 2.363 249 R HA 0.238 4.577 4.340 -0.001 0.000 0.236 249 R C 0.682 177.096 176.300 0.190 0.000 0.966 249 R CA -0.142 56.092 56.100 0.224 0.000 1.100 249 R CB -0.119 30.269 30.300 0.148 0.000 1.125 249 R HN 0.513 nan 8.270 nan 0.000 0.514 250 G N 0.409 109.318 108.800 0.182 0.000 2.321 250 G HA2 0.097 4.056 3.960 -0.001 0.000 0.237 250 G HA3 0.097 4.056 3.960 -0.001 0.000 0.237 250 G C 1.132 176.091 174.900 0.098 0.000 1.282 250 G CA 0.175 45.357 45.100 0.137 0.000 0.886 250 G HN 0.256 nan 8.290 nan 0.000 0.528 251 A N 3.075 125.941 122.820 0.077 0.000 1.903 251 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 251 A C 2.390 180.001 177.584 0.044 0.000 1.191 251 A CA 2.132 54.201 52.037 0.053 0.000 0.638 251 A CB -0.398 18.627 19.000 0.040 0.000 0.823 251 A HN 0.628 nan 8.150 nan 0.000 0.451 252 N N -0.462 118.263 118.700 0.042 0.000 2.171 252 N HA -0.088 4.651 4.740 -0.001 0.000 0.184 252 N C 1.687 177.222 175.510 0.042 0.000 1.021 252 N CA 1.350 54.422 53.050 0.035 0.000 0.854 252 N CB -0.828 37.677 38.487 0.030 0.000 0.994 252 N HN 0.259 nan 8.380 nan 0.000 0.426 253 V N 0.750 120.699 119.914 0.058 0.000 2.407 253 V HA -0.141 3.979 4.120 -0.001 0.000 0.248 253 V C 2.033 178.158 176.094 0.051 0.000 1.055 253 V CA 1.177 63.515 62.300 0.063 0.000 1.049 253 V CB -0.230 31.648 31.823 0.093 0.000 0.662 253 V HN 0.033 nan 8.190 nan 0.000 0.455 254 V N 0.118 120.066 119.914 0.057 0.000 2.307 254 V HA -0.253 3.866 4.120 -0.001 0.000 0.245 254 V C 2.473 178.578 176.094 0.018 0.000 1.045 254 V CA 2.488 64.817 62.300 0.047 0.000 1.024 254 V CB -0.729 31.130 31.823 0.059 0.000 0.651 254 V HN 0.554 nan 8.190 nan 0.000 0.449 255 K N 0.920 121.327 120.400 0.013 0.000 2.097 255 K HA -0.133 4.187 4.320 -0.001 0.000 0.205 255 K C 2.345 178.923 176.600 -0.037 0.000 1.050 255 K CA 1.595 57.876 56.287 -0.010 0.000 0.938 255 K CB -0.385 32.112 32.500 -0.006 0.000 0.718 255 K HN 0.615 nan 8.250 nan 0.000 0.442 256 S N 0.947 116.638 115.700 -0.014 0.000 2.419 256 S HA -0.097 4.372 4.470 -0.001 0.000 0.233 256 S C 1.519 176.085 174.600 -0.057 0.000 1.016 256 S CA 0.895 59.091 58.200 -0.007 0.000 0.974 256 S CB -0.175 63.068 63.200 0.073 0.000 0.786 256 S HN 0.234 nan 8.310 nan 0.000 0.492 257 L N 0.663 121.840 121.223 -0.077 0.000 2.965 257 L HA 0.490 4.829 4.340 -0.001 0.000 0.254 257 L C 2.102 178.919 176.870 -0.087 0.000 1.220 257 L CA 0.219 54.977 54.840 -0.136 0.000 1.023 257 L CB 0.015 41.944 42.059 -0.216 0.000 1.355 257 L HN 0.346 nan 8.230 nan 0.000 0.545 258 A N 0.234 123.006 122.820 -0.080 0.000 2.076 258 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 258 A C 1.650 179.213 177.584 -0.036 0.000 1.160 258 A CA 1.470 53.480 52.037 -0.044 0.000 0.653 258 A CB -0.251 18.721 19.000 -0.047 0.000 0.801 258 A HN 0.480 nan 8.150 nan 0.000 0.455 259 N N -0.018 118.641 118.700 -0.069 0.000 2.230 259 N HA 0.087 4.826 4.740 -0.001 0.000 0.202 259 N C -0.596 174.924 175.510 0.016 0.000 1.119 259 N CA 0.107 53.137 53.050 -0.034 0.000 0.851 259 N CB 0.058 38.503 38.487 -0.071 0.000 0.990 259 N HN 0.567 nan 8.380 nan 0.000 0.497 260 N N -0.430 118.286 118.700 0.026 0.000 2.457 260 N HA 0.450 5.189 4.740 -0.001 0.000 0.290 260 N C -0.483 175.116 175.510 0.147 0.000 1.232 260 N CA -0.633 52.480 53.050 0.105 0.000 0.852 260 N CB 1.891 40.422 38.487 0.074 0.000 1.313 260 N HN -0.108 nan 8.380 nan 0.000 0.522 261 I N 1.058 121.753 120.570 0.207 0.000 2.533 261 I HA 0.156 4.325 4.170 -0.001 0.000 0.284 261 I C 0.419 176.636 176.117 0.166 0.000 1.109 261 I CA 0.451 61.849 61.300 0.163 0.000 1.412 261 I CB 0.284 38.336 38.000 0.087 0.000 1.396 261 I HN 0.250 nan 8.210 nan 0.000 0.543 262 R N 7.297 127.864 120.500 0.111 0.000 2.533 262 R HA 0.611 4.950 4.340 -0.001 0.000 0.288 262 R C -1.543 174.802 176.300 0.074 0.000 1.039 262 R CA -0.624 55.547 56.100 0.119 0.000 0.909 262 R CB 1.533 31.906 30.300 0.122 0.000 1.195 262 R HN 0.582 nan 8.270 nan 0.000 0.438 263 I N 3.028 123.623 120.570 0.042 0.000 2.493 263 I HA 0.301 4.470 4.170 -0.001 0.000 0.298 263 I C -0.141 176.065 176.117 0.150 0.000 0.998 263 I CA -1.171 60.168 61.300 0.065 0.000 1.137 263 I CB 1.935 39.875 38.000 -0.100 0.000 1.310 263 I HN 0.470 nan 8.210 nan 0.000 0.445 264 N N 3.226 122.053 118.700 0.212 0.000 2.514 264 N HA 0.090 4.829 4.740 -0.001 0.000 0.277 264 N C -0.549 175.080 175.510 0.198 0.000 1.126 264 N CA -0.325 52.835 53.050 0.185 0.000 0.978 264 N CB 1.381 39.954 38.487 0.143 0.000 1.106 264 N HN 0.592 nan 8.380 nan 0.000 0.461 265 C N 2.114 121.513 119.300 0.165 0.000 2.651 265 C HA 0.075 4.534 4.460 -0.001 0.000 0.410 265 C C 1.891 176.912 174.990 0.052 0.000 1.372 265 C CA -0.159 58.951 59.018 0.153 0.000 1.707 265 C CB -1.111 26.740 27.740 0.185 0.000 2.501 265 C HN 0.710 nan 8.230 nan 0.000 0.598 266 S N 3.144 118.893 115.700 0.083 0.000 2.461 266 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 266 S C 2.097 176.544 174.600 -0.256 0.000 1.005 266 S CA 1.293 59.449 58.200 -0.074 0.000 0.942 266 S CB 0.039 63.371 63.200 0.220 0.000 0.776 266 S HN 0.931 nan 8.310 nan 0.000 0.514 267 S N 0.519 116.214 115.700 -0.009 0.000 2.356 267 S HA -0.148 4.321 4.470 -0.001 0.000 0.223 267 S C 1.695 176.221 174.600 -0.123 0.000 1.032 267 S CA 1.026 59.318 58.200 0.152 0.000 1.005 267 S CB -0.482 62.975 63.200 0.429 0.000 0.867 267 S HN 0.685 nan 8.310 nan 0.000 0.449 268 H N 0.950 119.626 119.070 -0.657 0.000 2.321 268 H HA -0.006 4.549 4.556 -0.001 0.000 0.300 268 H C 2.062 176.950 175.328 -0.734 0.000 1.087 268 H CA 1.306 56.608 56.048 -1.244 0.000 1.319 268 H CB -0.134 28.914 29.762 -1.191 0.000 1.379 268 H HN 0.255 nan 8.280 nan 0.000 0.501 269 L N 0.205 121.059 121.223 -0.616 0.000 2.012 269 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 269 L C 2.756 179.127 176.870 -0.832 0.000 1.073 269 L CA 0.744 55.150 54.840 -0.724 0.000 0.748 269 L CB -0.399 41.228 42.059 -0.721 0.000 0.891 269 L HN 0.287 nan 8.230 nan 0.000 0.431 270 L N -0.646 119.929 121.223 -1.080 0.000 2.046 270 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 270 L C 2.734 179.366 176.870 -0.397 0.000 1.077 270 L CA 2.008 56.253 54.840 -0.990 0.000 0.747 270 L CB -0.707 40.595 42.059 -1.261 0.000 0.896 270 L HN 0.216 nan 8.230 nan 0.000 0.432 271 S N -0.496 115.108 115.700 -0.160 0.000 2.368 271 S HA -0.192 4.277 4.470 -0.001 0.000 0.225 271 S C 1.871 176.402 174.600 -0.115 0.000 1.030 271 S CA 1.538 59.748 58.200 0.016 0.000 0.999 271 S CB -0.398 62.801 63.200 -0.002 0.000 0.844 271 S HN 0.636 nan 8.310 nan 0.000 0.459 272 N N 1.087 119.610 118.700 -0.294 0.000 2.166 272 N HA -0.042 4.697 4.740 -0.001 0.000 0.186 272 N C 1.775 177.182 175.510 -0.172 0.000 1.019 272 N CA 1.278 54.173 53.050 -0.258 0.000 0.856 272 N CB -0.932 37.312 38.487 -0.405 0.000 0.993 272 N HN 0.273 nan 8.380 nan 0.000 0.426 273 V N 1.733 121.515 119.914 -0.220 0.000 2.287 273 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 273 V C 2.369 178.400 176.094 -0.105 0.000 1.053 273 V CA 1.332 63.534 62.300 -0.164 0.000 1.027 273 V CB -0.519 31.182 31.823 -0.203 0.000 0.646 273 V HN 0.236 nan 8.190 nan 0.000 0.447 274 L N -0.386 120.791 121.223 -0.077 0.000 1.994 274 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 274 L C 2.630 179.649 176.870 0.248 0.000 1.071 274 L CA 2.159 57.049 54.840 0.084 0.000 0.745 274 L CB -0.710 41.447 42.059 0.165 0.000 0.892 274 L HN 0.423 nan 8.230 nan 0.000 0.431 275 E N 0.561 120.861 120.200 0.167 0.000 2.058 275 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 275 E C 1.911 178.596 176.600 0.140 0.000 0.997 275 E CA 1.711 58.215 56.400 0.173 0.000 0.801 275 E CB 0.066 29.826 29.700 0.100 0.000 0.746 275 E HN 0.420 nan 8.360 nan 0.000 0.450 276 N N 0.155 118.887 118.700 0.054 0.000 2.166 276 N HA -0.100 4.639 4.740 -0.001 0.000 0.186 276 N C 1.865 177.386 175.510 0.018 0.000 1.019 276 N CA 1.378 54.442 53.050 0.024 0.000 0.856 276 N CB -0.344 38.130 38.487 -0.021 0.000 0.993 276 N HN 0.026 nan 8.380 nan 0.000 0.426 277 S N -0.002 115.688 115.700 -0.017 0.000 2.368 277 S HA -0.002 4.467 4.470 -0.001 0.000 0.224 277 S C 1.702 176.222 174.600 -0.132 0.000 1.029 277 S CA 0.759 58.890 58.200 -0.115 0.000 0.988 277 S CB -0.356 62.711 63.200 -0.222 0.000 0.838 277 S HN 0.270 nan 8.310 nan 0.000 0.462 278 F N 1.816 121.775 119.950 0.015 0.000 2.113 278 F HA -0.057 4.469 4.527 -0.001 0.000 0.297 278 F C 2.534 178.346 175.800 0.021 0.000 1.103 278 F CA 1.076 59.092 58.000 0.026 0.000 1.248 278 F CB -0.362 38.663 39.000 0.042 0.000 0.999 278 F HN 0.201 nan 8.300 nan 0.000 0.475 279 E N -0.005 120.311 120.200 0.195 0.000 2.153 279 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 279 E C 1.638 178.275 176.600 0.062 0.000 0.988 279 E CA 1.387 57.854 56.400 0.111 0.000 0.811 279 E CB -0.244 29.506 29.700 0.083 0.000 0.746 279 E HN 0.550 nan 8.360 nan 0.000 0.466 280 E N -0.045 120.176 120.200 0.035 0.000 2.489 280 E HA 0.009 4.358 4.350 -0.001 0.000 0.193 280 E C -0.215 176.383 176.600 -0.004 0.000 1.057 280 E CA 0.275 56.679 56.400 0.007 0.000 0.866 280 E CB 0.559 30.252 29.700 -0.011 0.000 0.916 280 E HN -0.049 nan 8.360 nan 0.000 0.500 281 T N 3.142 117.697 114.554 0.002 0.000 2.929 281 T HA 0.093 4.442 4.350 -0.001 0.000 0.331 281 T C -1.814 172.899 174.700 0.022 0.000 1.120 281 T CA -1.558 60.539 62.100 -0.006 0.000 0.973 281 T CB 1.251 70.097 68.868 -0.037 0.000 1.036 281 T HN 0.007 nan 8.240 nan 0.000 0.502 282 P HA -0.133 nan 4.420 nan 0.000 0.218 282 P C 0.918 178.220 177.300 0.005 0.000 1.148 282 P CA 1.197 64.302 63.100 0.008 0.000 0.822 282 P CB 0.484 32.182 31.700 -0.004 0.000 0.784 283 E N -0.514 119.690 120.200 0.006 0.000 2.268 283 E HA -0.033 4.316 4.350 -0.001 0.000 0.195 283 E C 2.067 178.689 176.600 0.035 0.000 0.995 283 E CA 0.832 57.236 56.400 0.007 0.000 0.836 283 E CB -0.581 29.123 29.700 0.007 0.000 0.763 283 E HN 0.320 nan 8.360 nan 0.000 0.491 284 L N -0.269 120.994 121.223 0.067 0.000 2.470 284 L HA 0.144 4.483 4.340 -0.001 0.000 0.219 284 L C 1.324 178.277 176.870 0.138 0.000 1.071 284 L CA -0.193 54.724 54.840 0.129 0.000 0.850 284 L CB -0.152 42.028 42.059 0.202 0.000 1.040 284 L HN 0.117 nan 8.230 nan 0.000 0.475 288 I N 0.819 121.435 120.570 0.078 0.000 2.202 288 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 288 I C 2.378 178.525 176.117 0.051 0.000 1.091 288 I CA 1.103 62.434 61.300 0.051 0.000 1.368 288 I CB -0.140 37.888 38.000 0.047 0.000 1.058 288 I HN -0.083 nan 8.210 nan 0.000 0.410 289 L N 0.403 121.663 121.223 0.061 0.000 2.046 289 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 289 L C 2.825 179.736 176.870 0.069 0.000 1.077 289 L CA 1.396 56.272 54.840 0.060 0.000 0.747 289 L CB -0.735 41.361 42.059 0.061 0.000 0.896 289 L HN 0.251 nan 8.230 nan 0.000 0.432 290 A N -0.900 121.973 122.820 0.088 0.000 1.902 290 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 290 A C 2.410 180.030 177.584 0.060 0.000 1.181 290 A CA 1.888 53.979 52.037 0.090 0.000 0.623 290 A CB -1.209 17.867 19.000 0.126 0.000 0.818 290 A HN 0.540 nan 8.150 nan 0.000 0.443 291 C N -0.565 118.768 119.300 0.055 0.000 2.413 291 C HA -0.092 4.367 4.460 -0.001 0.000 0.276 291 C C 2.709 177.705 174.990 0.010 0.000 1.248 291 C CA 1.335 60.368 59.018 0.025 0.000 1.742 291 C CB -1.049 26.706 27.740 0.026 0.000 2.017 291 C HN 0.605 nan 8.230 nan 0.000 0.481 292 K N 0.559 120.975 120.400 0.026 0.000 2.097 292 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 292 K C 1.837 178.465 176.600 0.048 0.000 1.049 292 K CA 1.309 57.613 56.287 0.028 0.000 0.933 292 K CB -0.427 32.094 32.500 0.034 0.000 0.717 292 K HN 0.623 nan 8.250 nan 0.000 0.442 293 N N 0.959 119.694 118.700 0.058 0.000 2.166 293 N HA -0.134 4.606 4.740 -0.001 0.000 0.186 293 N C 1.806 177.386 175.510 0.117 0.000 1.019 293 N CA 0.652 53.750 53.050 0.080 0.000 0.856 293 N CB 0.077 38.605 38.487 0.068 0.000 0.993 293 N HN 0.102 nan 8.380 nan 0.000 0.426 294 I N 0.345 120.967 120.570 0.086 0.000 2.202 294 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 294 I C 2.130 178.342 176.117 0.158 0.000 1.091 294 I CA 0.660 62.033 61.300 0.122 0.000 1.368 294 I CB -0.193 37.790 38.000 -0.028 0.000 1.058 294 I HN 0.022 nan 8.210 nan 0.000 0.410 295 V N 1.228 121.158 119.914 0.028 0.000 2.332 295 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 295 V C 2.547 178.708 176.094 0.112 0.000 1.055 295 V CA 2.027 64.336 62.300 0.016 0.000 1.038 295 V CB -0.759 31.054 31.823 -0.017 0.000 0.651 295 V HN 0.437 nan 8.190 nan 0.000 0.450 296 K N -0.761 119.706 120.400 0.112 0.000 2.103 296 K HA -0.267 4.052 4.320 -0.001 0.000 0.207 296 K C 2.249 178.927 176.600 0.130 0.000 1.048 296 K CA 2.173 58.523 56.287 0.104 0.000 0.930 296 K CB -0.328 32.230 32.500 0.097 0.000 0.716 296 K HN 0.568 nan 8.250 nan 0.000 0.444 297 Y N 0.046 120.420 120.300 0.123 0.000 2.220 297 Y HA -0.136 4.413 4.550 -0.001 0.000 0.291 297 Y C 1.642 177.627 175.900 0.140 0.000 1.129 297 Y CA 1.418 59.589 58.100 0.119 0.000 1.161 297 Y CB -0.262 38.273 38.460 0.125 0.000 0.997 297 Y HN -0.018 nan 8.280 nan 0.000 0.522 298 F N 1.005 120.912 119.950 -0.073 0.000 2.269 298 F HA -0.111 4.415 4.527 -0.001 0.000 0.301 298 F C 2.447 178.140 175.800 -0.179 0.000 1.082 298 F CA 1.726 59.642 58.000 -0.140 0.000 1.360 298 F CB -0.498 38.481 39.000 -0.035 0.000 1.041 298 F HN 0.056 nan 8.300 nan 0.000 0.512 299 K N 0.757 121.185 120.400 0.047 0.000 2.031 299 K HA -0.184 4.135 4.320 -0.001 0.000 0.205 299 K C 2.282 178.834 176.600 -0.081 0.000 1.049 299 K CA 1.267 57.554 56.287 -0.000 0.000 0.939 299 K CB -0.164 32.349 32.500 0.022 0.000 0.717 299 K HN 0.088 nan 8.250 nan 0.000 0.438 300 K N -0.005 120.308 120.400 -0.145 0.000 2.147 300 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 300 K C 1.342 177.788 176.600 -0.255 0.000 1.049 300 K CA 1.311 57.493 56.287 -0.176 0.000 0.936 300 K CB -0.067 32.329 32.500 -0.174 0.000 0.722 300 K HN 0.232 nan 8.250 nan 0.000 0.446 301 A N 0.692 123.252 122.820 -0.432 0.000 2.307 301 A HA 0.102 4.421 4.320 -0.001 0.000 0.218 301 A C -0.108 177.343 177.584 -0.223 0.000 1.228 301 A CA 0.268 52.059 52.037 -0.411 0.000 0.857 301 A CB -0.464 18.102 19.000 -0.724 0.000 0.897 301 A HN 0.646 nan 8.150 nan 0.000 0.495 302 N N -1.873 116.746 118.700 -0.134 0.000 2.725 302 N HA -0.155 4.584 4.740 -0.001 0.000 0.249 302 N C -0.190 175.349 175.510 0.049 0.000 1.103 302 N CA 0.564 53.601 53.050 -0.022 0.000 0.707 302 N CB -0.825 37.658 38.487 -0.007 0.000 1.043 302 N HN 0.297 nan 8.380 nan 0.000 0.553 303 L N 0.112 121.299 121.223 -0.060 0.000 2.910 303 L HA 0.206 4.545 4.340 -0.001 0.000 0.252 303 L C 1.558 178.385 176.870 -0.071 0.000 1.195 303 L CA 0.569 55.301 54.840 -0.181 0.000 1.003 303 L CB 0.232 42.077 42.059 -0.357 0.000 1.328 303 L HN 0.147 nan 8.230 nan 0.000 0.540 304 Q N -0.331 119.518 119.800 0.081 0.000 2.173 304 Q HA -0.234 4.105 4.340 -0.001 0.000 0.208 304 Q C 2.055 178.093 176.000 0.064 0.000 0.989 304 Q CA 2.072 57.935 55.803 0.100 0.000 0.872 304 Q CB -0.398 28.394 28.738 0.091 0.000 0.909 304 Q HN 0.639 nan 8.270 nan 0.000 0.420 305 H N -0.664 118.438 119.070 0.055 0.000 2.491 305 H HA 0.086 4.642 4.556 -0.001 0.000 0.290 305 H C 1.226 176.588 175.328 0.058 0.000 1.050 305 H CA 0.902 56.971 56.048 0.035 0.000 1.309 305 H CB -0.017 29.754 29.762 0.015 0.000 1.392 305 H HN 0.115 nan 8.280 nan 0.000 0.554 306 R N 0.700 120.997 120.500 -0.338 0.000 2.236 306 R HA 0.137 4.476 4.340 -0.001 0.000 0.208 306 R C 1.699 177.997 176.300 -0.002 0.000 1.036 306 R CA 0.174 56.201 56.100 -0.121 0.000 1.001 306 R CB 0.031 30.298 30.300 -0.055 0.000 0.896 306 R HN 0.385 nan 8.270 nan 0.000 0.464 307 L N 2.418 123.627 121.223 -0.023 0.000 2.728 307 L HA 0.158 4.497 4.340 -0.001 0.000 0.235 307 L C 0.577 177.411 176.870 -0.061 0.000 1.197 307 L CA -0.291 54.490 54.840 -0.098 0.000 0.992 307 L CB -0.107 41.836 42.059 -0.194 0.000 1.263 307 L HN 0.011 nan 8.230 nan 0.000 0.484 308 R N -0.149 120.337 120.500 -0.023 0.000 2.449 308 R HA 0.234 4.573 4.340 -0.001 0.000 0.296 308 R C -0.175 176.108 176.300 -0.030 0.000 1.047 308 R CA 0.088 56.179 56.100 -0.015 0.000 1.018 308 R CB 0.994 31.303 30.300 0.016 0.000 0.962 308 R HN -0.028 nan 8.270 nan 0.000 0.428 309 S N 1.537 117.208 115.700 -0.048 0.000 2.578 309 S HA 0.246 4.715 4.470 -0.001 0.000 0.301 309 S C 0.426 174.992 174.600 -0.056 0.000 1.091 309 S CA -0.860 57.304 58.200 -0.060 0.000 1.032 309 S CB 1.936 65.078 63.200 -0.096 0.000 1.064 309 S HN 0.679 nan 8.310 nan 0.000 0.508 310 S N 2.378 118.047 115.700 -0.051 0.000 2.558 310 S HA 0.174 4.643 4.470 -0.001 0.000 0.217 310 S C 0.490 175.055 174.600 -0.058 0.000 0.975 310 S CA -0.322 57.852 58.200 -0.043 0.000 0.912 310 S CB -0.154 63.031 63.200 -0.026 0.000 0.776 310 S HN 0.659 nan 8.310 nan 0.000 0.526 311 L N 3.389 124.555 121.223 -0.094 0.000 2.456 311 L HA 0.336 4.675 4.340 -0.001 0.000 0.277 311 L C -0.124 176.667 176.870 -0.132 0.000 1.124 311 L CA 0.574 55.336 54.840 -0.129 0.000 0.880 311 L CB 0.106 42.020 42.059 -0.241 0.000 1.192 311 L HN 0.022 nan 8.230 nan 0.000 0.463 312 K N 3.968 124.319 120.400 -0.082 0.000 2.316 312 K HA 0.214 4.533 4.320 -0.001 0.000 0.267 312 K C -0.176 176.398 176.600 -0.044 0.000 1.025 312 K CA -0.300 55.944 56.287 -0.072 0.000 0.896 312 K CB 0.993 33.462 32.500 -0.052 0.000 1.124 312 K HN 0.707 nan 8.250 nan 0.000 0.451 313 S N 2.829 118.496 115.700 -0.055 0.000 2.585 313 S HA 0.051 4.520 4.470 -0.001 0.000 0.273 313 S C 0.942 175.538 174.600 -0.007 0.000 1.339 313 S CA -0.305 57.903 58.200 0.014 0.000 1.028 313 S CB 0.830 64.047 63.200 0.028 0.000 0.906 313 S HN 0.702 nan 8.310 nan 0.000 0.528 314 E N 1.407 121.631 120.200 0.038 0.000 2.152 314 E HA -0.052 4.298 4.350 -0.001 0.000 0.192 314 E C 0.961 177.528 176.600 -0.055 0.000 0.983 314 E CA 0.352 56.779 56.400 0.045 0.000 0.818 314 E CB -0.398 29.402 29.700 0.167 0.000 0.758 314 E HN 0.659 nan 8.360 nan 0.000 0.467 315 C N 2.923 122.053 119.300 -0.283 0.000 2.637 315 C HA 0.197 4.656 4.460 -0.001 0.000 0.418 315 C C -2.207 172.643 174.990 -0.234 0.000 1.319 315 C CA -1.723 56.960 59.018 -0.558 0.000 1.949 315 C CB -0.164 26.833 27.740 -1.238 0.000 2.639 315 C HN 0.009 nan 8.230 nan 0.000 0.594 316 P HA 0.048 nan 4.420 nan 0.000 0.264 316 P C 0.934 178.108 177.300 -0.210 0.000 1.183 316 P CA 0.626 63.601 63.100 -0.209 0.000 0.763 316 P CB 0.477 31.971 31.700 -0.344 0.000 0.807 317 T N 3.402 117.818 114.554 -0.229 0.000 2.653 317 T HA -0.261 4.089 4.350 -0.001 0.000 0.268 317 T C 1.625 176.237 174.700 -0.146 0.000 1.035 317 T CA 1.879 63.877 62.100 -0.170 0.000 1.154 317 T CB -0.489 68.275 68.868 -0.174 0.000 0.862 317 T HN 0.589 nan 8.240 nan 0.000 0.441 318 R N -0.330 120.013 120.500 -0.261 0.000 2.249 318 R HA -0.100 4.240 4.340 -0.001 0.000 0.230 318 R C 1.326 177.594 176.300 -0.053 0.000 1.121 318 R CA 1.265 57.223 56.100 -0.236 0.000 0.997 318 R CB -0.310 29.728 30.300 -0.435 0.000 0.867 318 R HN 0.442 nan 8.270 nan 0.000 0.465 319 W N 1.402 122.688 121.300 -0.022 0.000 3.008 319 W HA 0.196 4.856 4.660 -0.001 0.000 0.355 319 W C 0.067 176.568 176.519 -0.030 0.000 1.095 319 W CA -0.567 56.777 57.345 -0.002 0.000 1.738 319 W CB -0.347 29.121 29.460 0.013 0.000 1.091 319 W HN 0.377 nan 8.180 nan 0.000 0.574 320 N N -1.672 117.103 118.700 0.125 0.000 2.553 320 N HA 0.105 4.844 4.740 -0.001 0.000 0.298 320 N C 0.675 176.225 175.510 0.066 0.000 1.596 320 N CA 0.048 53.150 53.050 0.086 0.000 0.910 320 N CB 0.501 39.011 38.487 0.039 0.000 1.336 320 N HN -0.377 nan 8.380 nan 0.000 0.497 321 S N -0.300 115.437 115.700 0.063 0.000 2.374 321 S HA -0.197 4.272 4.470 -0.001 0.000 0.227 321 S C 1.655 176.261 174.600 0.010 0.000 1.037 321 S CA 2.008 60.227 58.200 0.031 0.000 1.024 321 S CB -0.367 62.860 63.200 0.045 0.000 0.861 321 S HN 0.567 nan 8.310 nan 0.000 0.456 322 T N 1.080 115.638 114.554 0.006 0.000 2.643 322 T HA -0.119 4.230 4.350 -0.001 0.000 0.264 322 T C 1.603 176.291 174.700 -0.021 0.000 1.045 322 T CA 1.455 63.514 62.100 -0.067 0.000 1.155 322 T CB -0.556 68.189 68.868 -0.204 0.000 0.863 322 T HN 0.413 nan 8.240 nan 0.000 0.420 323 Y N 3.267 123.494 120.300 -0.122 0.000 2.128 323 Y HA -0.115 4.435 4.550 -0.001 0.000 0.284 323 Y C 1.754 177.619 175.900 -0.059 0.000 1.154 323 Y CA 0.847 58.899 58.100 -0.080 0.000 1.149 323 Y CB -1.372 37.078 38.460 -0.017 0.000 0.976 323 Y HN 0.292 nan 8.280 nan 0.000 0.505 327 R N 0.983 121.445 120.500 -0.063 0.000 2.115 327 R HA 0.061 4.400 4.340 -0.001 0.000 0.230 327 R C 2.021 178.278 176.300 -0.071 0.000 1.111 327 R CA 1.530 57.577 56.100 -0.088 0.000 0.976 327 R CB -0.432 29.728 30.300 -0.234 0.000 0.870 327 R HN 0.303 nan 8.270 nan 0.000 0.445 328 S N 1.266 116.912 115.700 -0.090 0.000 2.353 328 S HA -0.106 4.363 4.470 -0.001 0.000 0.222 328 S C 2.020 176.574 174.600 -0.077 0.000 1.035 328 S CA 1.126 59.272 58.200 -0.091 0.000 1.025 328 S CB -0.141 62.991 63.200 -0.113 0.000 0.902 328 S HN 0.139 nan 8.310 nan 0.000 0.440 329 I N 1.061 121.597 120.570 -0.056 0.000 2.163 329 I HA -0.085 4.084 4.170 -0.001 0.000 0.240 329 I C 2.346 178.554 176.117 0.152 0.000 1.081 329 I CA 1.000 62.294 61.300 -0.009 0.000 1.353 329 I CB -1.358 36.664 38.000 0.038 0.000 1.054 329 I HN 0.256 nan 8.210 nan 0.000 0.407 330 L N 1.341 122.656 121.223 0.154 0.000 2.046 330 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 330 L C 1.984 178.933 176.870 0.132 0.000 1.077 330 L CA 1.986 56.926 54.840 0.167 0.000 0.747 330 L CB -0.823 41.272 42.059 0.060 0.000 0.896 330 L HN 0.177 nan 8.230 nan 0.000 0.432 331 D N -0.510 119.929 120.400 0.065 0.000 2.219 331 D HA -0.088 4.551 4.640 -0.001 0.000 0.205 331 D C 0.903 177.244 176.300 0.068 0.000 0.970 331 D CA 0.933 54.961 54.000 0.046 0.000 0.851 331 D CB -0.155 40.648 40.800 0.004 0.000 0.943 331 D HN 0.453 nan 8.370 nan 0.000 0.488 332 N N 0.053 118.795 118.700 0.070 0.000 2.328 332 N HA -0.021 4.719 4.740 -0.001 0.000 0.247 332 N C 1.153 176.715 175.510 0.088 0.000 1.165 332 N CA -0.319 52.764 53.050 0.055 0.000 0.873 332 N CB 0.424 38.905 38.487 -0.010 0.000 1.125 332 N HN 0.316 nan 8.380 nan 0.000 0.513 333 W N 2.322 123.607 121.300 -0.025 0.000 2.304 333 W HA -0.272 4.388 4.660 -0.001 0.000 0.328 333 W C 1.740 178.263 176.519 0.006 0.000 1.242 333 W CA 1.781 59.117 57.345 -0.015 0.000 1.243 333 W CB -0.045 29.409 29.460 -0.011 0.000 1.170 333 W HN 0.137 nan 8.180 nan 0.000 0.460 334 E N 0.483 120.800 120.200 0.195 0.000 2.130 334 E HA -0.197 4.153 4.350 -0.001 0.000 0.196 334 E C 2.234 178.822 176.600 -0.020 0.000 0.998 334 E CA 2.575 59.023 56.400 0.080 0.000 0.806 334 E CB -0.561 29.220 29.700 0.136 0.000 0.738 334 E HN 0.164 nan 8.360 nan 0.000 0.459 335 S N -0.764 114.941 115.700 0.007 0.000 2.368 335 S HA -0.129 4.340 4.470 -0.001 0.000 0.224 335 S C 2.138 176.750 174.600 0.020 0.000 1.029 335 S CA 1.121 59.333 58.200 0.020 0.000 0.988 335 S CB -0.422 62.808 63.200 0.049 0.000 0.838 335 S HN 0.136 nan 8.310 nan 0.000 0.462 336 V N 3.807 123.695 119.914 -0.044 0.000 2.255 336 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 336 V C 2.341 178.363 176.094 -0.120 0.000 1.051 336 V CA 1.949 64.233 62.300 -0.027 0.000 1.018 336 V CB -1.004 30.640 31.823 -0.299 0.000 0.641 336 V HN 0.627 nan 8.190 nan 0.000 0.445 337 I N -1.224 119.141 120.570 -0.341 0.000 2.286 337 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 337 I C 2.460 178.494 176.117 -0.138 0.000 1.115 337 I CA 2.132 63.256 61.300 -0.293 0.000 1.392 337 I CB -0.746 37.045 38.000 -0.348 0.000 1.065 337 I HN 0.336 nan 8.210 nan 0.000 0.418 338 Q N 1.185 120.930 119.800 -0.092 0.000 2.046 338 Q HA -0.162 4.177 4.340 -0.001 0.000 0.200 338 Q C 2.439 178.408 176.000 -0.053 0.000 0.975 338 Q CA 1.731 57.502 55.803 -0.053 0.000 0.836 338 Q CB 0.102 28.822 28.738 -0.029 0.000 0.896 338 Q HN 0.531 nan 8.270 nan 0.000 0.428 339 I N 0.909 121.459 120.570 -0.035 0.000 2.163 339 I HA -0.298 3.871 4.170 -0.001 0.000 0.243 339 I C 2.341 178.393 176.117 -0.108 0.000 1.085 339 I CA 1.341 62.597 61.300 -0.074 0.000 1.347 339 I CB -1.248 36.682 38.000 -0.116 0.000 1.044 339 I HN 0.354 nan 8.210 nan 0.000 0.408 340 L N 0.056 121.223 121.223 -0.094 0.000 2.083 340 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 340 L C 2.666 179.439 176.870 -0.161 0.000 1.083 340 L CA 1.114 55.848 54.840 -0.176 0.000 0.752 340 L CB -0.537 41.435 42.059 -0.146 0.000 0.899 340 L HN 0.195 nan 8.230 nan 0.000 0.433 341 S N 0.131 115.764 115.700 -0.113 0.000 2.345 341 S HA -0.204 4.265 4.470 -0.001 0.000 0.220 341 S C 1.714 176.267 174.600 -0.079 0.000 1.031 341 S CA 1.676 59.823 58.200 -0.089 0.000 0.996 341 S CB -0.330 62.830 63.200 -0.067 0.000 0.882 341 S HN 0.603 nan 8.310 nan 0.000 0.445 342 E N 1.328 121.486 120.200 -0.069 0.000 2.472 342 E HA 0.039 4.388 4.350 -0.001 0.000 0.200 342 E C 1.323 177.889 176.600 -0.057 0.000 1.046 342 E CA 0.880 57.248 56.400 -0.054 0.000 0.871 342 E CB -0.137 29.537 29.700 -0.044 0.000 0.806 342 E HN 0.477 nan 8.360 nan 0.000 0.533 343 A N 1.025 123.793 122.820 -0.087 0.000 2.390 343 A HA 0.453 4.773 4.320 -0.001 0.000 0.232 343 A C 1.618 179.135 177.584 -0.112 0.000 1.233 343 A CA 0.242 52.229 52.037 -0.083 0.000 0.907 343 A CB -0.008 18.934 19.000 -0.096 0.000 0.967 343 A HN 0.392 nan 8.150 nan 0.000 0.512 344 G N 0.154 108.887 108.800 -0.111 0.000 2.273 344 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.280 344 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.280 344 G C -0.014 174.802 174.900 -0.140 0.000 1.047 344 G CA 0.481 45.520 45.100 -0.101 0.000 0.869 344 G HN 0.428 nan 8.290 nan 0.000 0.502 345 E N -0.036 120.035 120.200 -0.216 0.000 2.939 345 E HA 0.112 4.461 4.350 -0.001 0.000 0.215 345 E C 1.895 178.372 176.600 -0.205 0.000 1.025 345 E CA 0.565 56.803 56.400 -0.270 0.000 1.259 345 E CB -0.012 29.346 29.700 -0.570 0.000 1.228 345 E HN 0.633 nan 8.360 nan 0.000 0.443 346 T N -2.595 111.873 114.554 -0.143 0.000 2.962 346 T HA -0.190 4.159 4.350 -0.001 0.000 0.270 346 T C 1.705 176.346 174.700 -0.099 0.000 1.088 346 T CA 0.833 62.865 62.100 -0.114 0.000 1.127 346 T CB 0.069 68.885 68.868 -0.087 0.000 0.883 346 T HN 0.125 nan 8.240 nan 0.000 0.493 347 Q N 0.653 120.398 119.800 -0.092 0.000 2.437 347 Q HA -0.002 4.337 4.340 -0.001 0.000 0.210 347 Q C 2.250 178.204 176.000 -0.076 0.000 0.972 347 Q CA 0.650 56.404 55.803 -0.081 0.000 0.903 347 Q CB -0.065 28.636 28.738 -0.061 0.000 0.967 347 Q HN 0.573 nan 8.270 nan 0.000 0.486 348 R N -0.346 120.107 120.500 -0.079 0.000 2.236 348 R HA 0.053 4.392 4.340 -0.001 0.000 0.208 348 R C 1.911 178.186 176.300 -0.042 0.000 1.036 348 R CA 0.629 56.700 56.100 -0.050 0.000 1.001 348 R CB 0.124 30.393 30.300 -0.052 0.000 0.896 348 R HN 0.331 nan 8.270 nan 0.000 0.464 349 I N 0.964 121.494 120.570 -0.067 0.000 3.783 349 I HA 0.018 4.188 4.170 -0.001 0.000 0.310 349 I C -0.075 176.027 176.117 -0.025 0.000 1.274 349 I CA 0.107 61.378 61.300 -0.048 0.000 1.294 349 I CB 0.626 38.571 38.000 -0.091 0.000 1.051 349 I HN -0.180 nan 8.210 nan 0.000 0.435 350 V N 4.121 123.975 119.914 -0.100 0.000 2.644 350 V HA -0.118 4.001 4.120 -0.001 0.000 0.305 350 V C 0.964 176.913 176.094 -0.243 0.000 1.053 350 V CA 1.085 63.248 62.300 -0.228 0.000 1.186 350 V CB -0.240 31.357 31.823 -0.376 0.000 0.895 350 V HN 0.585 nan 8.190 nan 0.000 0.490 351 H N 0.753 119.856 119.070 0.056 0.000 4.370 351 H HA -0.140 4.415 4.556 -0.001 0.000 0.114 351 H C 0.328 175.703 175.328 0.078 0.000 0.638 351 H CA 0.953 57.036 56.048 0.058 0.000 1.203 351 H CB -1.183 28.610 29.762 0.050 0.000 0.562 351 H HN 0.561 nan 8.280 nan 0.000 0.652 352 I N 2.922 123.612 120.570 0.202 0.000 2.471 352 I HA 0.060 4.229 4.170 -0.001 0.000 0.286 352 I C 0.964 177.200 176.117 0.198 0.000 1.079 352 I CA 0.251 61.679 61.300 0.212 0.000 1.398 352 I CB 0.509 38.671 38.000 0.271 0.000 1.403 352 I HN 0.133 nan 8.210 nan 0.000 0.530 353 N N 7.251 126.026 118.700 0.125 0.000 2.518 353 N HA 0.103 4.842 4.740 -0.001 0.000 0.254 353 N C 0.608 176.082 175.510 -0.059 0.000 0.979 353 N CA -0.346 52.732 53.050 0.047 0.000 0.930 353 N CB 1.401 39.911 38.487 0.039 0.000 1.152 353 N HN 0.572 nan 8.380 nan 0.000 0.505 354 K N 1.868 122.127 120.400 -0.236 0.000 2.074 354 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 354 K C 1.581 177.997 176.600 -0.307 0.000 1.048 354 K CA 2.184 58.144 56.287 -0.546 0.000 0.926 354 K CB 0.060 31.922 32.500 -1.062 0.000 0.713 354 K HN 0.627 nan 8.250 nan 0.000 0.444 355 S N 0.526 116.106 115.700 -0.200 0.000 2.399 355 S HA -0.125 4.344 4.470 -0.001 0.000 0.231 355 S C 1.972 176.530 174.600 -0.070 0.000 1.022 355 S CA 0.974 59.099 58.200 -0.124 0.000 0.983 355 S CB -0.343 62.805 63.200 -0.086 0.000 0.803 355 S HN 0.222 nan 8.310 nan 0.000 0.480 356 I N 2.004 122.547 120.570 -0.045 0.000 2.252 356 I HA -0.062 4.107 4.170 -0.001 0.000 0.245 356 I C 2.417 178.544 176.117 0.018 0.000 1.102 356 I CA 0.830 62.132 61.300 0.002 0.000 1.385 356 I CB -1.099 36.918 38.000 0.027 0.000 1.064 356 I HN 0.300 nan 8.210 nan 0.000 0.414 357 I N 0.556 121.123 120.570 -0.006 0.000 2.179 357 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 357 I C 2.602 178.721 176.117 0.004 0.000 1.088 357 I CA 1.416 62.723 61.300 0.012 0.000 1.357 357 I CB -1.227 36.768 38.000 -0.008 0.000 1.051 357 I HN 0.290 nan 8.210 nan 0.000 0.409 358 Q N 0.834 120.607 119.800 -0.046 0.000 2.084 358 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 358 Q C 1.114 177.112 176.000 -0.003 0.000 0.978 358 Q CA 1.285 57.067 55.803 -0.035 0.000 0.844 358 Q CB -0.354 28.338 28.738 -0.076 0.000 0.898 358 Q HN 0.442 nan 8.270 nan 0.000 0.426 362 N N 1.328 120.037 118.700 0.015 0.000 2.084 362 N HA 0.022 4.761 4.740 -0.001 0.000 0.190 362 N C 1.752 177.196 175.510 -0.109 0.000 1.030 362 N CA 2.217 55.249 53.050 -0.031 0.000 0.849 362 N CB -0.170 38.299 38.487 -0.030 0.000 1.012 362 N HN 0.584 nan 8.380 nan 0.000 0.423 363 I N 1.318 121.825 120.570 -0.106 0.000 2.163 363 I HA -0.274 3.895 4.170 -0.001 0.000 0.243 363 I C 2.109 177.977 176.117 -0.413 0.000 1.085 363 I CA 1.106 62.278 61.300 -0.212 0.000 1.347 363 I CB -0.280 37.685 38.000 -0.057 0.000 1.044 363 I HN 0.151 nan 8.210 nan 0.000 0.408 364 L N 0.320 121.403 121.223 -0.234 0.000 2.083 364 L HA -0.265 4.074 4.340 -0.001 0.000 0.209 364 L C 2.185 178.760 176.870 -0.491 0.000 1.083 364 L CA 1.659 56.301 54.840 -0.329 0.000 0.752 364 L CB -0.627 41.055 42.059 -0.628 0.000 0.899 364 L HN 0.312 nan 8.230 nan 0.000 0.433 365 D N -0.053 120.119 120.400 -0.380 0.000 2.218 365 D HA -0.151 4.488 4.640 -0.001 0.000 0.204 365 D C 2.117 178.319 176.300 -0.164 0.000 0.976 365 D CA 1.173 55.085 54.000 -0.148 0.000 0.853 365 D CB -0.006 40.801 40.800 0.011 0.000 0.939 365 D HN 0.228 nan 8.370 nan 0.000 0.481 366 G N -1.260 107.332 108.800 -0.348 0.000 2.509 366 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 366 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 366 G C 1.077 175.772 174.900 -0.342 0.000 1.124 366 G CA 0.169 45.045 45.100 -0.373 0.000 0.776 366 G HN 0.360 nan 8.290 nan 0.000 0.547 367 F N 0.181 120.131 119.950 0.001 0.000 2.754 367 F HA 0.207 4.733 4.527 -0.002 0.000 0.297 367 F C 2.328 178.211 175.800 0.138 0.000 1.122 367 F CA -0.210 57.799 58.000 0.016 0.000 1.400 367 F CB 0.390 39.401 39.000 0.018 0.000 1.117 367 F HN 0.019 nan 8.300 nan 0.000 0.587 368 E N 0.835 121.208 120.200 0.289 0.000 2.118 368 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 368 E C 2.104 178.865 176.600 0.268 0.000 0.992 368 E CA 1.012 57.614 56.400 0.336 0.000 0.804 368 E CB -0.275 29.561 29.700 0.226 0.000 0.741 368 E HN 0.276 nan 8.360 nan 0.000 0.458 369 R N 0.998 121.593 120.500 0.159 0.000 2.115 369 R HA -0.029 4.310 4.340 -0.001 0.000 0.230 369 R C 2.282 178.645 176.300 0.104 0.000 1.111 369 R CA 0.811 56.975 56.100 0.107 0.000 0.976 369 R CB -0.417 29.912 30.300 0.048 0.000 0.870 369 R HN 0.156 nan 8.270 nan 0.000 0.445 370 I N -0.495 120.134 120.570 0.098 0.000 2.202 370 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 370 I C 1.717 177.856 176.117 0.036 0.000 1.091 370 I CA 1.359 62.678 61.300 0.031 0.000 1.368 370 I CB -0.368 37.617 38.000 -0.025 0.000 1.058 370 I HN 0.097 nan 8.210 nan 0.000 0.410 371 F N 1.230 121.254 119.950 0.123 0.000 2.126 371 F HA -0.266 4.260 4.527 -0.001 0.000 0.299 371 F C 2.683 178.546 175.800 0.104 0.000 1.096 371 F CA 1.663 59.727 58.000 0.106 0.000 1.255 371 F CB -0.360 38.707 39.000 0.112 0.000 0.997 371 F HN -0.049 nan 8.300 nan 0.000 0.479 372 K N 0.398 120.970 120.400 0.288 0.000 2.032 372 K HA -0.201 4.118 4.320 -0.001 0.000 0.209 372 K C 1.984 178.675 176.600 0.152 0.000 1.048 372 K CA 1.653 58.051 56.287 0.186 0.000 0.927 372 K CB -0.088 32.496 32.500 0.141 0.000 0.712 372 K HN 0.132 nan 8.250 nan 0.000 0.441 373 E N 0.733 121.012 120.200 0.132 0.000 2.150 373 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 373 E C 2.021 178.730 176.600 0.181 0.000 0.985 373 E CA 0.854 57.330 56.400 0.128 0.000 0.814 373 E CB -0.026 29.707 29.700 0.055 0.000 0.752 373 E HN 0.420 nan 8.360 nan 0.000 0.466 374 L N 0.188 121.517 121.223 0.177 0.000 2.395 374 L HA -0.069 4.270 4.340 -0.001 0.000 0.218 374 L C 1.740 178.715 176.870 0.175 0.000 1.130 374 L CA 0.625 55.579 54.840 0.189 0.000 0.826 374 L CB -0.076 42.090 42.059 0.178 0.000 0.941 374 L HN 0.034 nan 8.230 nan 0.000 0.451 375 Q N -1.193 118.711 119.800 0.173 0.000 2.247 375 Q HA 0.062 4.401 4.340 -0.001 0.000 0.204 375 Q C 0.727 176.792 176.000 0.108 0.000 0.872 375 Q CA -0.121 55.772 55.803 0.149 0.000 0.951 375 Q CB 0.703 29.539 28.738 0.164 0.000 1.099 375 Q HN 0.148 nan 8.270 nan 0.000 0.501 376 T N -0.892 113.729 114.554 0.111 0.000 2.898 376 T HA 0.131 4.480 4.350 -0.001 0.000 0.301 376 T C 0.609 175.351 174.700 0.070 0.000 1.049 376 T CA -0.169 61.985 62.100 0.090 0.000 1.095 376 T CB 0.652 69.586 68.868 0.110 0.000 0.976 376 T HN 0.492 nan 8.240 nan 0.000 0.539 377 C N 1.516 120.853 119.300 0.063 0.000 3.486 377 C HA 0.480 4.939 4.460 -0.001 0.000 0.264 377 C C 1.662 176.689 174.990 0.061 0.000 1.756 377 C CA 0.021 59.080 59.018 0.068 0.000 1.764 377 C CB -1.319 26.500 27.740 0.132 0.000 3.238 377 C HN 0.736 nan 8.230 nan 0.000 0.524 378 S N 0.672 116.399 115.700 0.045 0.000 2.523 378 S HA 0.376 4.846 4.470 -0.001 0.000 0.217 378 S C 0.420 175.043 174.600 0.038 0.000 0.996 378 S CA 0.575 58.788 58.200 0.023 0.000 0.921 378 S CB -0.192 63.017 63.200 0.016 0.000 0.829 378 S HN 1.059 nan 8.310 nan 0.000 0.495 379 S N 0.387 116.127 115.700 0.066 0.000 2.579 379 S HA 0.695 5.164 4.470 -0.001 0.000 0.272 379 S C -3.536 171.118 174.600 0.091 0.000 1.141 379 S CA -1.548 56.705 58.200 0.088 0.000 0.843 379 S CB 0.906 64.182 63.200 0.127 0.000 1.122 379 S HN -0.046 nan 8.310 nan 0.000 0.468 380 P HA 0.204 nan 4.420 nan 0.000 0.265 380 P C 0.414 177.717 177.300 0.005 0.000 1.193 380 P CA -0.120 62.994 63.100 0.024 0.000 0.765 380 P CB 0.741 32.442 31.700 0.001 0.000 0.823 381 S N 1.428 117.133 115.700 0.008 0.000 2.593 381 S HA 0.037 4.506 4.470 -0.001 0.000 0.235 381 S C 1.444 176.061 174.600 0.028 0.000 1.059 381 S CA -0.150 58.097 58.200 0.078 0.000 0.953 381 S CB -0.714 62.564 63.200 0.131 0.000 0.897 381 S HN 0.207 nan 8.310 nan 0.000 0.507 382 L N 3.041 124.266 121.223 0.003 0.000 2.131 382 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 382 L C 2.533 179.414 176.870 0.019 0.000 1.092 382 L CA 1.666 56.532 54.840 0.042 0.000 0.759 382 L CB -0.768 41.313 42.059 0.036 0.000 0.903 382 L HN 0.756 nan 8.230 nan 0.000 0.435 383 C N -3.060 116.179 119.300 -0.102 0.000 2.472 383 C HA 0.000 4.460 4.460 -0.001 0.000 0.278 383 C C 2.197 177.103 174.990 -0.140 0.000 1.447 383 C CA -0.361 58.598 59.018 -0.098 0.000 1.773 383 C CB -2.131 25.519 27.740 -0.149 0.000 1.793 383 C HN 0.441 nan 8.230 nan 0.000 0.544 384 F N 0.143 120.092 119.950 -0.002 0.000 2.664 384 F HA 0.187 4.713 4.527 -0.002 0.000 0.303 384 F C 2.126 177.838 175.800 -0.147 0.000 1.092 384 F CA -0.352 57.587 58.000 -0.101 0.000 1.305 384 F CB 0.126 39.089 39.000 -0.063 0.000 1.054 384 F HN 0.016 nan 8.300 nan 0.000 0.565 385 V N -0.386 119.535 119.914 0.012 0.000 2.307 385 V HA -0.236 3.883 4.120 -0.001 0.000 0.245 385 V C 2.218 178.052 176.094 -0.433 0.000 1.045 385 V CA 1.478 63.713 62.300 -0.108 0.000 1.024 385 V CB -0.378 31.442 31.823 -0.005 0.000 0.651 385 V HN 0.165 nan 8.190 nan 0.000 0.449 386 V N 0.325 119.924 119.914 -0.526 0.000 2.287 386 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 386 V C 0.060 175.735 176.094 -0.697 0.000 1.053 386 V CA 2.567 64.422 62.300 -0.742 0.000 1.027 386 V CB -1.743 29.526 31.823 -0.924 0.000 0.646 386 V HN 0.501 nan 8.190 nan 0.000 0.447 387 P HA -0.079 nan 4.420 nan 0.000 0.220 387 P C 1.930 179.061 177.300 -0.281 0.000 1.148 387 P CA 1.470 64.329 63.100 -0.402 0.000 0.803 387 P CB -0.044 31.527 31.700 -0.216 0.000 0.782 388 S N -0.926 114.611 115.700 -0.270 0.000 2.383 388 S HA -0.078 4.391 4.470 -0.001 0.000 0.227 388 S C 1.828 176.239 174.600 -0.315 0.000 1.026 388 S CA 0.912 59.002 58.200 -0.184 0.000 0.981 388 S CB -0.945 62.245 63.200 -0.016 0.000 0.818 388 S HN 0.123 nan 8.310 nan 0.000 0.472 389 I N 1.329 121.515 120.570 -0.639 0.000 2.226 389 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 389 I C 1.947 177.870 176.117 -0.324 0.000 1.100 389 I CA 1.039 61.944 61.300 -0.657 0.000 1.374 389 I CB -0.270 37.228 38.000 -0.837 0.000 1.057 389 I HN 0.233 nan 8.210 nan 0.000 0.413 390 L N 0.336 121.384 121.223 -0.292 0.000 2.093 390 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 390 L C 2.551 179.354 176.870 -0.111 0.000 1.085 390 L CA 1.124 55.855 54.840 -0.181 0.000 0.755 390 L CB -0.540 41.411 42.059 -0.178 0.000 0.904 390 L HN 0.162 nan 8.230 nan 0.000 0.435 391 K N 0.352 120.690 120.400 -0.104 0.000 2.057 391 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 391 K C 1.825 178.448 176.600 0.038 0.000 1.049 391 K CA 1.486 57.753 56.287 -0.033 0.000 0.931 391 K CB -0.465 32.019 32.500 -0.026 0.000 0.714 391 K HN 0.033 nan 8.250 nan 0.000 0.440 392 V N 1.464 121.408 119.914 0.050 0.000 2.343 392 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 392 V C 2.115 178.261 176.094 0.087 0.000 1.051 392 V CA 2.174 64.558 62.300 0.141 0.000 1.036 392 V CB -0.448 31.402 31.823 0.046 0.000 0.654 392 V HN 0.370 nan 8.190 nan 0.000 0.451 393 K N -0.054 120.348 120.400 0.003 0.000 2.097 393 K HA -0.225 4.094 4.320 -0.001 0.000 0.206 393 K C 2.197 178.797 176.600 0.001 0.000 1.049 393 K CA 1.644 57.926 56.287 -0.009 0.000 0.933 393 K CB -0.172 32.301 32.500 -0.044 0.000 0.717 393 K HN 0.651 nan 8.250 nan 0.000 0.442 394 E N 1.586 121.785 120.200 -0.002 0.000 2.047 394 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 394 E C 1.999 178.601 176.600 0.004 0.000 0.987 394 E CA 0.928 57.324 56.400 -0.006 0.000 0.799 394 E CB -0.047 29.644 29.700 -0.015 0.000 0.752 394 E HN 0.243 nan 8.360 nan 0.000 0.449 395 I N 0.753 121.339 120.570 0.026 0.000 2.286 395 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 395 I C 1.780 177.909 176.117 0.020 0.000 1.115 395 I CA 0.684 61.989 61.300 0.009 0.000 1.392 395 I CB -0.086 37.929 38.000 0.025 0.000 1.065 395 I HN 0.316 nan 8.210 nan 0.000 0.418 396 C N 1.240 120.574 119.300 0.056 0.000 2.559 396 C HA 0.147 4.606 4.460 -0.001 0.000 0.300 396 C C 1.495 176.490 174.990 0.008 0.000 1.288 396 C CA -0.677 58.364 59.018 0.040 0.000 1.699 396 C CB -2.035 25.741 27.740 0.060 0.000 1.819 396 C HN 0.463 nan 8.230 nan 0.000 0.600 397 S N 1.502 117.202 115.700 -0.000 0.000 2.562 397 S HA 0.260 4.729 4.470 -0.001 0.000 0.281 397 S C -2.623 171.970 174.600 -0.012 0.000 1.333 397 S CA -0.743 57.452 58.200 -0.009 0.000 1.052 397 S CB -0.185 63.008 63.200 -0.011 0.000 0.884 397 S HN 0.218 nan 8.310 nan 0.000 0.506 398 P HA 0.153 nan 4.420 nan 0.000 0.263 398 P C -0.805 176.487 177.300 -0.013 0.000 1.175 398 P CA 0.453 63.545 63.100 -0.014 0.000 0.761 398 P CB 0.270 31.962 31.700 -0.014 0.000 0.794 399 D N 1.800 122.192 120.400 -0.014 0.000 2.736 399 D HA 0.071 4.710 4.640 -0.001 0.000 0.243 399 D C 0.948 177.240 176.300 -0.012 0.000 1.304 399 D CA -0.525 53.467 54.000 -0.013 0.000 0.934 399 D CB 1.819 42.610 40.800 -0.015 0.000 1.382 399 D HN 0.094 nan 8.370 nan 0.000 0.571 400 V N 2.399 122.307 119.914 -0.011 0.000 2.720 400 V HA 0.054 4.174 4.120 -0.001 0.000 0.256 400 V C 1.789 177.877 176.094 -0.010 0.000 1.082 400 V CA 1.863 64.157 62.300 -0.010 0.000 1.101 400 V CB -0.711 31.107 31.823 -0.009 0.000 0.693 400 V HN 0.539 nan 8.190 nan 0.000 0.479 401 G N -0.247 108.547 108.800 -0.011 0.000 2.848 401 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.208 401 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.208 401 G C 0.155 175.049 174.900 -0.011 0.000 1.152 401 G CA 0.067 45.160 45.100 -0.011 0.000 0.789 401 G HN 0.535 nan 8.290 nan 0.000 0.531 402 D N 0.610 121.003 120.400 -0.011 0.000 2.302 402 D HA 0.306 4.945 4.640 -0.001 0.000 0.248 402 D C 0.924 177.220 176.300 -0.008 0.000 1.094 402 D CA -0.314 53.680 54.000 -0.010 0.000 0.897 402 D CB 2.086 42.879 40.800 -0.011 0.000 1.200 402 D HN 0.088 nan 8.370 nan 0.000 0.429 403 V N -0.166 119.745 119.914 -0.006 0.000 2.924 403 V HA 0.359 4.478 4.120 -0.001 0.000 0.305 403 V C 1.447 177.539 176.094 -0.003 0.000 1.073 403 V CA -0.164 62.134 62.300 -0.003 0.000 1.098 403 V CB 0.800 32.623 31.823 -0.000 0.000 1.000 403 V HN 0.601 nan 8.190 nan 0.000 0.484 404 A N 1.454 124.272 122.820 -0.002 0.000 1.948 404 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 404 A C 1.670 179.251 177.584 -0.004 0.000 1.177 404 A CA 2.063 54.098 52.037 -0.004 0.000 0.636 404 A CB -0.887 18.111 19.000 -0.003 0.000 0.815 404 A HN 1.003 nan 8.150 nan 0.000 0.449 405 D N -0.058 120.343 120.400 0.002 0.000 2.144 405 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 405 D C 1.784 178.084 176.300 -0.000 0.000 0.984 405 D CA 0.961 54.964 54.000 0.006 0.000 0.834 405 D CB -0.217 40.595 40.800 0.021 0.000 0.955 405 D HN 0.389 nan 8.370 nan 0.000 0.465 406 I N 0.848 121.418 120.570 0.001 0.000 2.333 406 I HA -0.082 4.087 4.170 -0.001 0.000 0.246 406 I C 2.415 178.519 176.117 -0.021 0.000 1.106 406 I CA 0.479 61.776 61.300 -0.005 0.000 1.411 406 I CB -1.200 36.802 38.000 0.003 0.000 1.082 406 I HN -0.121 nan 8.210 nan 0.000 0.420 407 A N 1.209 124.019 122.820 -0.017 0.000 1.933 407 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 407 A C 2.342 179.908 177.584 -0.030 0.000 1.175 407 A CA 1.545 53.569 52.037 -0.021 0.000 0.628 407 A CB -0.447 18.543 19.000 -0.016 0.000 0.814 407 A HN 0.364 nan 8.150 nan 0.000 0.444 408 K N -0.837 119.545 120.400 -0.031 0.000 2.057 408 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 408 K C 1.940 178.501 176.600 -0.065 0.000 1.050 408 K CA 1.285 57.549 56.287 -0.039 0.000 0.935 408 K CB -0.409 32.073 32.500 -0.031 0.000 0.715 408 K HN 0.398 nan 8.250 nan 0.000 0.439 409 L N 2.149 123.322 121.223 -0.083 0.000 2.012 409 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 409 L C 1.867 178.652 176.870 -0.142 0.000 1.073 409 L CA 1.886 56.631 54.840 -0.159 0.000 0.748 409 L CB -0.271 41.673 42.059 -0.192 0.000 0.891 409 L HN 0.001 nan 8.230 nan 0.000 0.431 410 K N -1.082 119.268 120.400 -0.083 0.000 2.063 410 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 410 K C 1.941 178.512 176.600 -0.049 0.000 1.048 410 K CA 1.620 57.877 56.287 -0.050 0.000 0.928 410 K CB -0.337 32.149 32.500 -0.024 0.000 0.713 410 K HN 0.289 nan 8.250 nan 0.000 0.442 411 V N 1.708 121.592 119.914 -0.050 0.000 2.427 411 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 411 V C 1.572 177.634 176.094 -0.054 0.000 1.051 411 V CA 1.765 64.039 62.300 -0.044 0.000 1.048 411 V CB -0.599 31.202 31.823 -0.037 0.000 0.666 411 V HN 0.377 nan 8.190 nan 0.000 0.456 412 N N -0.073 118.583 118.700 -0.074 0.000 2.142 412 N HA -0.062 4.677 4.740 -0.001 0.000 0.186 412 N C 1.854 177.309 175.510 -0.092 0.000 1.023 412 N CA 1.178 54.178 53.050 -0.083 0.000 0.852 412 N CB -0.131 38.294 38.487 -0.103 0.000 0.998 412 N HN 0.387 nan 8.380 nan 0.000 0.424 413 I N 1.020 121.523 120.570 -0.111 0.000 2.179 413 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 413 I C 1.955 178.031 176.117 -0.068 0.000 1.088 413 I CA 1.136 62.371 61.300 -0.108 0.000 1.357 413 I CB -0.202 37.737 38.000 -0.102 0.000 1.051 413 I HN 0.146 nan 8.210 nan 0.000 0.409 414 I N 0.685 121.226 120.570 -0.049 0.000 2.226 414 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 414 I C 2.647 178.740 176.117 -0.039 0.000 1.100 414 I CA 1.423 62.700 61.300 -0.038 0.000 1.374 414 I CB -0.365 37.616 38.000 -0.032 0.000 1.057 414 I HN 0.202 nan 8.210 nan 0.000 0.413 415 K N 1.247 121.622 120.400 -0.041 0.000 2.057 415 K HA -0.203 4.116 4.320 -0.001 0.000 0.207 415 K C 1.706 178.285 176.600 -0.034 0.000 1.049 415 K CA 2.012 58.277 56.287 -0.037 0.000 0.931 415 K CB -0.175 32.302 32.500 -0.038 0.000 0.714 415 K HN 0.387 nan 8.250 nan 0.000 0.440 416 N N -0.148 118.527 118.700 -0.041 0.000 2.331 416 N HA -0.100 4.639 4.740 -0.001 0.000 0.180 416 N C 1.608 177.112 175.510 -0.010 0.000 1.019 416 N CA 0.566 53.593 53.050 -0.038 0.000 0.881 416 N CB 0.215 38.666 38.487 -0.059 0.000 0.972 416 N HN -0.050 nan 8.380 nan 0.000 0.435 417 V N 1.128 121.042 119.914 -0.000 0.000 2.407 417 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 417 V C 2.393 178.507 176.094 0.034 0.000 1.055 417 V CA 1.539 63.875 62.300 0.060 0.000 1.049 417 V CB -0.359 31.475 31.823 0.017 0.000 0.662 417 V HN 0.260 nan 8.190 nan 0.000 0.455 418 R N 1.248 121.743 120.500 -0.009 0.000 2.057 418 R HA -0.042 4.297 4.340 -0.001 0.000 0.229 418 R C 2.174 178.472 176.300 -0.003 0.000 1.136 418 R CA 2.229 58.318 56.100 -0.019 0.000 0.952 418 R CB -0.822 29.460 30.300 -0.029 0.000 0.848 418 R HN 0.641 nan 8.270 nan 0.000 0.430 419 I N -2.098 118.467 120.570 -0.007 0.000 2.676 419 I HA 0.008 4.177 4.170 -0.001 0.000 0.259 419 I C 1.507 177.621 176.117 -0.005 0.000 1.194 419 I CA 1.343 62.638 61.300 -0.009 0.000 1.473 419 I CB -0.043 37.947 38.000 -0.017 0.000 1.096 419 I HN 0.111 nan 8.210 nan 0.000 0.443 420 I N -1.072 119.499 120.570 0.002 0.000 2.899 420 I HA 0.008 4.178 4.170 -0.001 0.000 0.257 420 I C 2.252 178.397 176.117 0.046 0.000 1.115 420 I CA 0.368 61.658 61.300 -0.016 0.000 1.451 420 I CB -0.482 37.475 38.000 -0.071 0.000 1.251 420 I HN 0.334 nan 8.210 nan 0.000 0.456 421 W N 2.702 123.914 121.300 -0.146 0.000 2.463 421 W HA -0.057 4.602 4.660 -0.001 0.000 0.316 421 W C 2.414 178.844 176.519 -0.148 0.000 1.170 421 W CA 1.357 58.600 57.345 -0.170 0.000 1.355 421 W CB -0.528 28.814 29.460 -0.197 0.000 1.159 421 W HN 0.062 nan 8.180 nan 0.000 0.487 422 E N -0.158 120.076 120.200 0.058 0.000 2.085 422 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 422 E C 1.866 178.485 176.600 0.032 0.000 0.994 422 E CA 1.396 57.773 56.400 -0.040 0.000 0.801 422 E CB -0.374 29.295 29.700 -0.052 0.000 0.743 422 E HN 0.162 nan 8.360 nan 0.000 0.453 423 E N 0.623 120.844 120.200 0.035 0.000 2.209 423 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 423 E C 1.130 177.758 176.600 0.047 0.000 0.993 423 E CA 0.678 57.096 56.400 0.031 0.000 0.819 423 E CB -0.067 29.642 29.700 0.015 0.000 0.745 423 E HN 0.238 nan 8.360 nan 0.000 0.477 424 N N 0.064 118.800 118.700 0.060 0.000 2.235 424 N HA 0.096 4.835 4.740 -0.001 0.000 0.209 424 N C 0.431 175.993 175.510 0.087 0.000 1.122 424 N CA 0.019 53.111 53.050 0.069 0.000 0.845 424 N CB 0.891 39.404 38.487 0.043 0.000 1.004 424 N HN 0.112 nan 8.380 nan 0.000 0.499 425 L N 0.345 121.601 121.223 0.055 0.000 2.469 425 L HA 0.301 4.640 4.340 -0.001 0.000 0.253 425 L C 0.947 177.971 176.870 0.258 0.000 1.143 425 L CA -0.250 54.580 54.840 -0.017 0.000 0.804 425 L CB 0.889 42.833 42.059 -0.191 0.000 1.214 425 L HN 0.047 nan 8.230 nan 0.000 0.476 426 S N -0.926 115.085 115.700 0.519 0.000 2.740 426 S HA 0.320 4.789 4.470 -0.001 0.000 0.300 426 S C 0.396 175.160 174.600 0.273 0.000 1.147 426 S CA -0.710 57.709 58.200 0.364 0.000 0.871 426 S CB 1.368 64.807 63.200 0.399 0.000 1.173 426 S HN 0.473 nan 8.310 nan 0.000 0.510 427 I N 0.404 120.949 120.570 -0.042 0.000 2.423 427 I HA 0.006 4.175 4.170 -0.001 0.000 0.254 427 I C 1.496 177.275 176.117 -0.564 0.000 1.151 427 I CA 0.905 61.983 61.300 -0.371 0.000 1.421 427 I CB -0.700 36.832 38.000 -0.780 0.000 1.079 427 I HN 0.750 nan 8.210 nan 0.000 0.431 428 W N -0.032 121.023 121.300 -0.409 0.000 2.338 428 W HA -0.218 4.441 4.660 -0.001 0.000 0.304 428 W C 2.696 179.065 176.519 -0.249 0.000 1.212 428 W CA 2.042 59.187 57.345 -0.334 0.000 1.264 428 W CB -1.054 28.241 29.460 -0.275 0.000 1.142 428 W HN 0.268 nan 8.180 nan 0.000 0.512 429 H N -2.504 116.604 119.070 0.063 0.000 2.357 429 H HA -0.148 4.407 4.556 -0.001 0.000 0.301 429 H C 1.710 176.911 175.328 -0.211 0.000 1.082 429 H CA 2.153 58.134 56.048 -0.111 0.000 1.342 429 H CB -0.786 28.807 29.762 -0.282 0.000 1.389 429 H HN 0.141 nan 8.280 nan 0.000 0.511 430 Y N -0.013 120.341 120.300 0.089 0.000 2.314 430 Y HA -0.156 4.393 4.550 -0.001 0.000 0.293 430 Y C 2.587 178.514 175.900 0.044 0.000 1.129 430 Y CA 1.276 59.418 58.100 0.071 0.000 1.201 430 Y CB -0.284 38.170 38.460 -0.010 0.000 0.999 430 Y HN 0.147 nan 8.280 nan 0.000 0.541 431 T N -0.288 114.263 114.554 -0.006 0.000 2.821 431 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 431 T C 2.251 176.809 174.700 -0.237 0.000 1.046 431 T CA 1.091 63.063 62.100 -0.213 0.000 1.139 431 T CB -0.522 68.138 68.868 -0.347 0.000 0.871 431 T HN 0.434 nan 8.240 nan 0.000 0.454 432 A N 1.435 124.249 122.820 -0.010 0.000 1.883 432 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 432 A C 1.993 179.730 177.584 0.255 0.000 1.186 432 A CA 1.386 53.508 52.037 0.142 0.000 0.624 432 A CB -0.989 18.091 19.000 0.133 0.000 0.822 432 A HN 0.454 nan 8.150 nan 0.000 0.444 433 F N -0.464 119.530 119.950 0.073 0.000 2.171 433 F HA -0.124 4.403 4.527 -0.001 0.000 0.300 433 F C 1.816 177.756 175.800 0.234 0.000 1.090 433 F CA 1.202 59.267 58.000 0.110 0.000 1.293 433 F CB -0.673 38.353 39.000 0.043 0.000 1.013 433 F HN 0.292 nan 8.300 nan 0.000 0.486 434 F N -0.098 119.844 119.950 -0.014 0.000 2.216 434 F HA -0.140 4.386 4.527 -0.001 0.000 0.300 434 F C 1.862 177.831 175.800 0.282 0.000 1.085 434 F CA 1.427 59.410 58.000 -0.028 0.000 1.326 434 F CB -0.852 38.134 39.000 -0.023 0.000 1.027 434 F HN -0.040 nan 8.300 nan 0.000 0.497 435 F N -1.625 118.464 119.950 0.233 0.000 2.816 435 F HA -0.088 4.438 4.527 -0.001 0.000 0.302 435 F C 0.080 176.074 175.800 0.324 0.000 1.178 435 F CA -0.374 57.773 58.000 0.245 0.000 1.421 435 F CB -0.401 38.668 39.000 0.115 0.000 1.114 435 F HN -0.099 nan 8.300 nan 0.000 0.573 436 Y N 2.557 122.970 120.300 0.188 0.000 2.595 436 Y HA 0.279 4.828 4.550 -0.001 0.000 0.336 436 Y C -1.986 173.809 175.900 -0.176 0.000 0.996 436 Y CA -3.457 54.689 58.100 0.076 0.000 1.260 436 Y CB 0.602 39.110 38.460 0.080 0.000 1.108 436 Y HN -0.122 nan 8.280 nan 0.000 0.509 437 P HA -0.178 nan 4.420 nan 0.000 0.216 437 P C -1.489 175.420 177.300 -0.651 0.000 1.154 437 P CA 1.772 64.435 63.100 -0.728 0.000 0.865 437 P CB -0.573 30.342 31.700 -1.309 0.000 0.789 438 P HA -0.068 nan 4.420 nan 0.000 0.225 438 P C 0.918 178.155 177.300 -0.105 0.000 1.148 438 P CA 1.561 64.367 63.100 -0.489 0.000 0.779 438 P CB -0.598 30.715 31.700 -0.645 0.000 0.780 439 A N -1.468 121.298 122.820 -0.090 0.000 2.308 439 A HA 0.113 4.432 4.320 -0.001 0.000 0.217 439 A C 1.818 179.221 177.584 -0.303 0.000 1.216 439 A CA 0.016 51.976 52.037 -0.128 0.000 0.864 439 A CB -1.157 17.694 19.000 -0.248 0.000 0.902 439 A HN 0.090 nan 8.150 nan 0.000 0.499 440 L N 0.118 121.173 121.223 -0.281 0.000 2.081 440 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 440 L C 1.690 178.458 176.870 -0.171 0.000 1.080 440 L CA 1.388 56.034 54.840 -0.324 0.000 0.754 440 L CB -0.813 40.974 42.059 -0.454 0.000 0.893 440 L HN 0.850 nan 8.230 nan 0.000 0.433 444 Q N 1.803 121.650 119.800 0.078 0.000 2.310 444 Q HA 0.332 4.671 4.340 -0.001 0.000 0.270 444 Q C -0.088 175.945 176.000 0.055 0.000 1.025 444 Q CA -0.464 55.415 55.803 0.127 0.000 0.772 444 Q CB 1.808 30.651 28.738 0.175 0.000 1.253 444 Q HN 0.324 nan 8.270 nan 0.000 0.450 445 E N 0.993 121.203 120.200 0.015 0.000 2.474 445 E HA 0.011 4.360 4.350 -0.001 0.000 0.194 445 E C 0.066 176.606 176.600 -0.100 0.000 1.041 445 E CA 0.598 56.968 56.400 -0.049 0.000 0.874 445 E CB 0.434 30.089 29.700 -0.075 0.000 0.914 445 E HN 0.297 nan 8.360 nan 0.000 0.498 446 K N -0.077 120.254 120.400 -0.116 0.000 2.537 446 K HA 0.173 4.492 4.320 -0.001 0.000 0.206 446 K C 0.832 177.346 176.600 -0.143 0.000 1.041 446 K CA -0.007 56.177 56.287 -0.171 0.000 1.090 446 K CB 1.115 33.434 32.500 -0.301 0.000 0.833 446 K HN -0.076 nan 8.250 nan 0.000 0.493 447 V N 1.054 120.909 119.914 -0.098 0.000 2.380 447 V HA -0.324 3.795 4.120 -0.001 0.000 0.251 447 V C 2.396 178.412 176.094 -0.131 0.000 1.063 447 V CA 2.412 64.638 62.300 -0.122 0.000 1.055 447 V CB -0.590 31.226 31.823 -0.012 0.000 0.657 447 V HN 0.441 nan 8.190 nan 0.000 0.455 448 A N -0.569 122.188 122.820 -0.105 0.000 1.898 448 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 448 A C 2.169 179.662 177.584 -0.152 0.000 1.181 448 A CA 1.891 53.858 52.037 -0.116 0.000 0.620 448 A CB -0.449 18.500 19.000 -0.085 0.000 0.819 448 A HN 0.565 nan 8.150 nan 0.000 0.442 449 Q N -0.250 119.461 119.800 -0.148 0.000 2.119 449 Q HA 0.020 4.359 4.340 -0.001 0.000 0.201 449 Q C 1.882 177.789 176.000 -0.155 0.000 0.972 449 Q CA 1.388 57.104 55.803 -0.146 0.000 0.847 449 Q CB -0.341 28.300 28.738 -0.162 0.000 0.903 449 Q HN 0.745 nan 8.270 nan 0.000 0.433 450 I N 0.384 120.835 120.570 -0.198 0.000 2.252 450 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 450 I C 2.347 178.329 176.117 -0.225 0.000 1.102 450 I CA 1.127 62.301 61.300 -0.210 0.000 1.385 450 I CB -0.226 37.556 38.000 -0.364 0.000 1.064 450 I HN 0.163 nan 8.210 nan 0.000 0.414 451 K N 1.114 121.257 120.400 -0.429 0.000 2.026 451 K HA -0.272 4.047 4.320 -0.001 0.000 0.208 451 K C 2.133 178.441 176.600 -0.486 0.000 1.048 451 K CA 1.856 57.587 56.287 -0.926 0.000 0.929 451 K CB -0.124 31.762 32.500 -1.023 0.000 0.713 451 K HN 0.270 nan 8.250 nan 0.000 0.439 452 E N -0.251 119.782 120.200 -0.278 0.000 2.058 452 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 452 E C 1.906 178.448 176.600 -0.097 0.000 0.997 452 E CA 1.449 57.751 56.400 -0.162 0.000 0.801 452 E CB -0.263 29.374 29.700 -0.104 0.000 0.746 452 E HN 0.383 nan 8.360 nan 0.000 0.450 453 F N 1.068 120.880 119.950 -0.230 0.000 2.134 453 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 453 F C 2.290 177.977 175.800 -0.188 0.000 1.097 453 F CA 1.584 59.447 58.000 -0.228 0.000 1.264 453 F CB -0.570 38.255 39.000 -0.293 0.000 1.001 453 F HN 0.171 nan 8.300 nan 0.000 0.479 454 C N 0.111 119.322 119.300 -0.149 0.000 2.432 454 C HA -0.150 4.309 4.460 -0.001 0.000 0.277 454 C C 2.677 177.580 174.990 -0.144 0.000 1.249 454 C CA 0.660 59.608 59.018 -0.117 0.000 1.725 454 C CB -1.428 26.430 27.740 0.196 0.000 2.028 454 C HN 0.487 nan 8.230 nan 0.000 0.477 455 L N 0.810 121.937 121.223 -0.161 0.000 2.012 455 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 455 L C 2.799 179.595 176.870 -0.123 0.000 1.073 455 L CA 1.993 56.766 54.840 -0.112 0.000 0.748 455 L CB -1.251 40.731 42.059 -0.127 0.000 0.891 455 L HN 0.358 nan 8.230 nan 0.000 0.431 456 S N -1.345 114.251 115.700 -0.174 0.000 2.356 456 S HA -0.099 4.370 4.470 -0.001 0.000 0.223 456 S C 1.308 175.781 174.600 -0.212 0.000 1.032 456 S CA 0.812 58.910 58.200 -0.169 0.000 1.005 456 S CB -0.028 63.070 63.200 -0.169 0.000 0.867 456 S HN 0.176 nan 8.310 nan 0.000 0.449 460 D N 1.480 121.864 120.400 -0.025 0.000 2.104 460 D HA -0.131 4.508 4.640 -0.001 0.000 0.194 460 D C 1.899 178.208 176.300 0.014 0.000 0.994 460 D CA 0.956 54.953 54.000 -0.006 0.000 0.830 460 D CB 0.003 40.795 40.800 -0.012 0.000 0.959 460 D HN 0.038 nan 8.370 nan 0.000 0.452 461 L N 1.378 122.608 121.223 0.012 0.000 2.083 461 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 461 L C 1.873 178.763 176.870 0.033 0.000 1.083 461 L CA 1.689 56.545 54.840 0.028 0.000 0.752 461 L CB -0.518 41.559 42.059 0.030 0.000 0.899 461 L HN 0.003 nan 8.230 nan 0.000 0.433 462 E N -0.851 119.367 120.200 0.030 0.000 2.110 462 E HA -0.262 4.088 4.350 -0.001 0.000 0.193 462 E C 2.096 178.722 176.600 0.043 0.000 0.988 462 E CA 1.355 57.778 56.400 0.037 0.000 0.804 462 E CB -0.328 29.393 29.700 0.035 0.000 0.745 462 E HN 0.394 nan 8.360 nan 0.000 0.458 463 L N 1.168 122.413 121.223 0.037 0.000 2.027 463 L HA -0.138 4.201 4.340 -0.001 0.000 0.206 463 L C 2.066 178.967 176.870 0.052 0.000 1.074 463 L CA 1.458 56.323 54.840 0.042 0.000 0.745 463 L CB -0.310 41.767 42.059 0.030 0.000 0.898 463 L HN 0.096 nan 8.230 nan 0.000 0.433 464 I N 0.068 120.666 120.570 0.046 0.000 2.151 464 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 464 I C 2.119 178.270 176.117 0.056 0.000 1.080 464 I CA 1.521 62.851 61.300 0.049 0.000 1.339 464 I CB -0.551 37.475 38.000 0.044 0.000 1.039 464 I HN 0.406 nan 8.210 nan 0.000 0.409 465 N N 0.700 119.432 118.700 0.053 0.000 2.166 465 N HA -0.074 4.665 4.740 -0.001 0.000 0.186 465 N C 1.036 176.589 175.510 0.072 0.000 1.019 465 N CA 0.824 53.905 53.050 0.052 0.000 0.856 465 N CB -0.252 38.260 38.487 0.042 0.000 0.993 465 N HN 0.326 nan 8.380 nan 0.000 0.426 469 S N 0.959 116.673 115.700 0.024 0.000 2.402 469 S HA 0.038 4.507 4.470 -0.001 0.000 0.233 469 S C 0.774 175.235 174.600 -0.233 0.000 1.030 469 S CA 1.420 59.544 58.200 -0.127 0.000 1.003 469 S CB -0.267 62.803 63.200 -0.217 0.000 0.813 469 S HN 0.507 nan 8.310 nan 0.000 0.477 470 F N 1.339 121.296 119.950 0.012 0.000 2.641 470 F HA 0.355 4.882 4.527 -0.001 0.000 0.302 470 F C 0.892 176.699 175.800 0.011 0.000 1.098 470 F CA -0.444 57.563 58.000 0.011 0.000 1.318 470 F CB -0.166 38.841 39.000 0.011 0.000 1.035 470 F HN 0.014 nan 8.300 nan 0.000 0.551 471 N N 1.547 120.328 118.700 0.136 0.000 2.721 471 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 471 N C 0.319 175.888 175.510 0.098 0.000 1.072 471 N CA 1.056 54.160 53.050 0.091 0.000 0.710 471 N CB -1.103 37.422 38.487 0.063 0.000 0.993 471 N HN 0.559 nan 8.380 nan 0.000 0.547 472 E N -0.379 119.892 120.200 0.118 0.000 2.583 472 E HA 0.078 4.427 4.350 -0.001 0.000 0.213 472 E C 1.557 178.195 176.600 0.064 0.000 0.989 472 E CA -0.341 56.110 56.400 0.084 0.000 0.991 472 E CB 0.331 30.078 29.700 0.079 0.000 1.040 472 E HN 0.183 nan 8.360 nan 0.000 0.481 473 L N 0.453 121.716 121.223 0.067 0.000 2.046 473 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 473 L C 0.621 177.517 176.870 0.043 0.000 1.077 473 L CA 1.392 56.264 54.840 0.054 0.000 0.747 473 L CB 0.345 42.435 42.059 0.051 0.000 0.896 473 L HN -0.059 nan 8.230 nan 0.000 0.432 474 S N -2.651 113.074 115.700 0.041 0.000 2.546 474 S HA 0.660 5.129 4.470 -0.001 0.000 0.274 474 S C 0.350 174.971 174.600 0.034 0.000 1.121 474 S CA -0.323 57.899 58.200 0.036 0.000 0.887 474 S CB 1.656 64.877 63.200 0.034 0.000 1.094 474 S HN 0.330 nan 8.310 nan 0.000 0.474 475 A N 2.146 124.985 122.820 0.032 0.000 2.178 475 A HA 0.206 4.525 4.320 -0.001 0.000 0.211 475 A C 1.596 179.198 177.584 0.030 0.000 1.157 475 A CA 1.241 53.296 52.037 0.030 0.000 0.780 475 A CB -0.540 18.477 19.000 0.027 0.000 0.828 475 A HN 1.072 nan 8.150 nan 0.000 0.476 476 T N -4.283 110.290 114.554 0.032 0.000 2.959 476 T HA 0.294 4.644 4.350 -0.001 0.000 0.254 476 T C 0.451 175.169 174.700 0.031 0.000 1.003 476 T CA 0.123 62.243 62.100 0.033 0.000 0.950 476 T CB 0.056 68.947 68.868 0.038 0.000 1.090 476 T HN 0.205 nan 8.240 nan 0.000 0.503 477 Q N 1.677 121.495 119.800 0.031 0.000 2.325 477 Q HA 0.485 4.824 4.340 -0.001 0.000 0.270 477 Q C -0.979 175.037 176.000 0.027 0.000 1.020 477 Q CA -0.954 54.866 55.803 0.029 0.000 0.785 477 Q CB 1.296 30.051 28.738 0.028 0.000 1.259 477 Q HN 0.325 nan 8.270 nan 0.000 0.452 478 L N 4.897 126.134 121.223 0.023 0.000 2.477 478 L HA 0.246 4.586 4.340 -0.001 0.000 0.272 478 L C -0.602 176.280 176.870 0.020 0.000 1.157 478 L CA 0.662 55.515 54.840 0.021 0.000 0.889 478 L CB -0.111 41.958 42.059 0.017 0.000 1.158 478 L HN 0.866 nan 8.230 nan 0.000 0.473 479 N N 3.715 122.429 118.700 0.022 0.000 2.415 479 N HA 0.392 5.131 4.740 -0.001 0.000 0.248 479 N C 0.177 175.696 175.510 0.014 0.000 1.271 479 N CA 0.661 53.724 53.050 0.021 0.000 0.913 479 N CB 0.290 38.793 38.487 0.027 0.000 1.129 479 N HN 0.835 nan 8.380 nan 0.000 0.444 498 I N 0.275 120.834 120.570 -0.020 0.000 2.836 498 I HA 0.356 4.525 4.170 -0.001 0.000 0.285 498 I C 0.864 176.979 176.117 -0.003 0.000 1.174 498 I CA -0.341 60.963 61.300 0.007 0.000 1.405 498 I CB 0.743 38.770 38.000 0.045 0.000 1.385 498 I HN 0.318 nan 8.210 nan 0.000 0.594 499 S N 3.219 118.934 115.700 0.025 0.000 2.580 499 S HA 0.072 4.542 4.470 -0.001 0.000 0.266 499 S C 1.019 175.652 174.600 0.055 0.000 1.354 499 S CA 0.001 58.222 58.200 0.035 0.000 1.008 499 S CB 0.967 64.200 63.200 0.056 0.000 0.898 499 S HN 0.786 nan 8.310 nan 0.000 0.555 500 T N 1.495 116.091 114.554 0.068 0.000 2.821 500 T HA -0.089 4.260 4.350 -0.001 0.000 0.267 500 T C 2.180 177.028 174.700 0.246 0.000 1.046 500 T CA 1.825 63.994 62.100 0.114 0.000 1.139 500 T CB -0.999 67.961 68.868 0.153 0.000 0.871 500 T HN 0.964 nan 8.240 nan 0.000 0.454 501 T N 0.200 114.907 114.554 0.255 0.000 2.867 501 T HA -0.034 4.315 4.350 -0.001 0.000 0.268 501 T C 2.244 177.134 174.700 0.315 0.000 1.057 501 T CA 1.328 63.651 62.100 0.372 0.000 1.136 501 T CB -0.457 68.567 68.868 0.261 0.000 0.874 501 T HN 0.229 nan 8.240 nan 0.000 0.466 502 S N 0.757 116.567 115.700 0.184 0.000 2.387 502 S HA 0.143 4.612 4.470 -0.001 0.000 0.226 502 S C 1.378 176.024 174.600 0.075 0.000 1.026 502 S CA 0.520 58.797 58.200 0.127 0.000 0.972 502 S CB -0.551 62.702 63.200 0.088 0.000 0.814 502 S HN 0.511 nan 8.310 nan 0.000 0.477 503 F N 1.717 121.596 119.950 -0.119 0.000 2.051 503 F HA -0.065 4.462 4.527 -0.001 0.000 0.296 503 F C 1.658 177.259 175.800 -0.330 0.000 1.122 503 F CA 1.430 59.257 58.000 -0.289 0.000 1.201 503 F CB -0.510 38.191 39.000 -0.499 0.000 0.978 503 F HN 0.187 nan 8.300 nan 0.000 0.472 504 F N -1.744 118.087 119.950 -0.199 0.000 2.367 504 F HA 0.010 4.537 4.527 -0.001 0.000 0.298 504 F C 0.610 175.893 175.800 -0.862 0.000 1.094 504 F CA 0.287 57.915 58.000 -0.619 0.000 1.409 504 F CB -0.127 38.436 39.000 -0.727 0.000 1.064 504 F HN -0.214 nan 8.300 nan 0.000 0.528 505 F N 0.670 120.695 119.950 0.126 0.000 2.471 505 F HA 0.290 4.817 4.527 -0.001 0.000 0.318 505 F C -1.749 174.059 175.800 0.013 0.000 1.308 505 F CA -2.140 55.894 58.000 0.056 0.000 1.162 505 F CB 0.170 39.208 39.000 0.062 0.000 1.383 505 F HN -0.233 nan 8.300 nan 0.000 0.552 506 P HA -0.207 nan 4.420 nan 0.000 0.217 506 P C 0.836 178.165 177.300 0.049 0.000 1.150 506 P CA 1.588 64.703 63.100 0.025 0.000 0.832 506 P CB 0.335 32.006 31.700 -0.049 0.000 0.787 507 Q N 0.532 120.369 119.800 0.061 0.000 1.993 507 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 507 Q C 2.582 178.618 176.000 0.061 0.000 0.984 507 Q CA 1.257 57.091 55.803 0.053 0.000 0.837 507 Q CB -1.651 27.120 28.738 0.055 0.000 0.902 507 Q HN 0.180 nan 8.270 nan 0.000 0.423 508 L N 0.463 121.742 121.223 0.093 0.000 2.042 508 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 508 L C 2.346 179.246 176.870 0.050 0.000 1.076 508 L CA 1.684 56.559 54.840 0.058 0.000 0.749 508 L CB -0.760 41.324 42.059 0.042 0.000 0.893 508 L HN 0.398 nan 8.230 nan 0.000 0.432 509 T N -0.612 113.991 114.554 0.082 0.000 2.708 509 T HA -0.271 4.078 4.350 -0.001 0.000 0.266 509 T C 1.788 176.511 174.700 0.039 0.000 1.037 509 T CA 1.839 63.977 62.100 0.064 0.000 1.146 509 T CB -0.251 68.668 68.868 0.085 0.000 0.865 509 T HN 0.541 nan 8.240 nan 0.000 0.435 510 Q N 1.039 120.860 119.800 0.036 0.000 2.119 510 Q HA -0.129 4.210 4.340 -0.001 0.000 0.201 510 Q C 1.971 177.983 176.000 0.020 0.000 0.972 510 Q CA 1.459 57.277 55.803 0.024 0.000 0.847 510 Q CB -0.353 28.397 28.738 0.020 0.000 0.903 510 Q HN 0.304 nan 8.270 nan 0.000 0.433 511 N N 1.447 120.159 118.700 0.020 0.000 2.043 511 N HA -0.140 4.599 4.740 -0.001 0.000 0.193 511 N C 1.386 176.902 175.510 0.010 0.000 1.037 511 N CA 1.659 54.718 53.050 0.014 0.000 0.851 511 N CB -0.480 38.014 38.487 0.011 0.000 1.027 511 N HN 0.375 nan 8.380 nan 0.000 0.422 512 N N 0.214 118.919 118.700 0.007 0.000 2.272 512 N HA -0.050 4.689 4.740 -0.001 0.000 0.185 512 N C 1.570 177.085 175.510 0.007 0.000 1.014 512 N CA 0.718 53.768 53.050 0.001 0.000 0.870 512 N CB -0.379 38.105 38.487 -0.005 0.000 0.975 512 N HN 0.167 nan 8.380 nan 0.000 0.433 513 S N 0.419 116.127 115.700 0.013 0.000 2.371 513 S HA 0.017 4.486 4.470 -0.001 0.000 0.224 513 S C 1.850 176.459 174.600 0.014 0.000 1.029 513 S CA 0.703 58.912 58.200 0.014 0.000 0.978 513 S CB 0.065 63.275 63.200 0.016 0.000 0.833 513 S HN 0.285 nan 8.310 nan 0.000 0.466 514 R N 0.852 121.360 120.500 0.015 0.000 2.275 514 R HA 0.166 4.505 4.340 -0.001 0.000 0.199 514 R C 0.260 176.570 176.300 0.017 0.000 0.989 514 R CA 0.184 56.294 56.100 0.015 0.000 1.016 514 R CB 0.196 30.505 30.300 0.015 0.000 0.918 514 R HN 0.181 nan 8.270 nan 0.000 0.473 515 E N 1.344 121.554 120.200 0.015 0.000 2.223 515 E HA 0.134 4.483 4.350 -0.001 0.000 0.282 515 E C -2.380 174.233 176.600 0.021 0.000 1.046 515 E CA -2.408 54.002 56.400 0.017 0.000 0.857 515 E CB 0.877 30.584 29.700 0.012 0.000 1.055 515 E HN -0.128 nan 8.360 nan 0.000 0.409 516 P HA 0.181 nan 4.420 nan 0.000 0.271 516 P C -2.441 174.881 177.300 0.036 0.000 1.216 516 P CA -0.979 62.139 63.100 0.031 0.000 0.771 516 P CB 0.211 31.931 31.700 0.034 0.000 0.864 517 P HA -0.069 nan 4.420 nan 0.000 0.265 517 P C -0.254 177.083 177.300 0.061 0.000 1.187 517 P CA -0.082 63.043 63.100 0.042 0.000 0.766 517 P CB 0.277 32.003 31.700 0.043 0.000 0.820 518 V N 5.016 124.973 119.914 0.072 0.000 2.644 518 V HA -0.028 4.091 4.120 -0.001 0.000 0.305 518 V C 0.512 176.681 176.094 0.125 0.000 1.053 518 V CA -0.368 62.000 62.300 0.114 0.000 1.186 518 V CB -0.691 31.213 31.823 0.136 0.000 0.895 518 V HN 0.933 nan 8.190 nan 0.000 0.490 519 C N 6.212 125.589 119.300 0.128 0.000 2.649 519 C HA 0.507 4.966 4.460 -0.001 0.000 0.377 519 C C -0.623 174.459 174.990 0.152 0.000 1.321 519 C CA -0.906 58.181 59.018 0.116 0.000 2.368 519 C CB 0.166 27.960 27.740 0.091 0.000 2.597 519 C HN 0.793 nan 8.230 nan 0.000 0.678 520 P HA -0.166 nan 4.420 nan 0.000 0.214 520 P C 2.078 179.503 177.300 0.207 0.000 1.163 520 P CA 2.700 65.894 63.100 0.155 0.000 0.889 520 P CB -0.083 31.672 31.700 0.091 0.000 0.790 521 S N -1.259 114.532 115.700 0.152 0.000 2.382 521 S HA -0.191 4.278 4.470 -0.001 0.000 0.228 521 S C 1.701 176.447 174.600 0.242 0.000 1.027 521 S CA 1.738 60.039 58.200 0.168 0.000 0.991 521 S CB -1.167 62.084 63.200 0.084 0.000 0.823 521 S HN 0.021 nan 8.310 nan 0.000 0.469 522 D N 1.096 121.624 120.400 0.213 0.000 2.117 522 D HA -0.051 4.588 4.640 -0.001 0.000 0.198 522 D C 2.142 178.685 176.300 0.405 0.000 0.982 522 D CA 1.099 55.232 54.000 0.222 0.000 0.828 522 D CB -0.375 40.566 40.800 0.234 0.000 0.967 522 D HN 0.614 nan 8.370 nan 0.000 0.464 523 E N -0.378 120.096 120.200 0.455 0.000 2.077 523 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 523 E C 1.981 178.973 176.600 0.653 0.000 0.989 523 E CA 0.486 57.257 56.400 0.618 0.000 0.800 523 E CB -0.231 29.790 29.700 0.535 0.000 0.746 523 E HN 0.265 nan 8.360 nan 0.000 0.452 524 F N 2.268 122.455 119.950 0.393 0.000 2.102 524 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 524 F C 2.281 178.306 175.800 0.375 0.000 1.105 524 F CA 1.377 59.618 58.000 0.403 0.000 1.239 524 F CB 0.168 39.339 39.000 0.285 0.000 0.991 524 F HN -0.121 nan 8.300 nan 0.000 0.474 525 E N -0.099 120.342 120.200 0.402 0.000 2.077 525 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 525 E C 2.237 178.890 176.600 0.088 0.000 0.989 525 E CA 1.217 57.722 56.400 0.175 0.000 0.800 525 E CB -0.803 28.918 29.700 0.035 0.000 0.746 525 E HN 0.392 nan 8.360 nan 0.000 0.452 526 F N 0.224 120.332 119.950 0.263 0.000 2.102 526 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 526 F C 2.422 178.390 175.800 0.280 0.000 1.105 526 F CA 0.996 59.157 58.000 0.268 0.000 1.239 526 F CB -0.939 38.258 39.000 0.328 0.000 0.991 526 F HN 0.083 nan 8.300 nan 0.000 0.474 527 Y N 0.995 121.536 120.300 0.401 0.000 2.128 527 Y HA -0.229 4.320 4.550 -0.001 0.000 0.284 527 Y C 2.666 178.518 175.900 -0.081 0.000 1.154 527 Y CA 1.694 59.818 58.100 0.041 0.000 1.149 527 Y CB -0.626 37.708 38.460 -0.211 0.000 0.976 527 Y HN -0.095 nan 8.280 nan 0.000 0.505 528 R N 0.515 120.817 120.500 -0.331 0.000 2.170 528 R HA -0.168 4.171 4.340 -0.001 0.000 0.242 528 R C 1.540 177.672 176.300 -0.280 0.000 1.145 528 R CA 1.727 57.611 56.100 -0.361 0.000 0.984 528 R CB -0.110 30.136 30.300 -0.091 0.000 0.869 528 R HN 0.407 nan 8.270 nan 0.000 0.455 529 K N 0.043 120.355 120.400 -0.147 0.000 2.404 529 K HA 0.011 4.330 4.320 -0.001 0.000 0.194 529 K C 0.061 176.607 176.600 -0.091 0.000 1.023 529 K CA -0.138 56.103 56.287 -0.077 0.000 1.094 529 K CB 0.390 32.899 32.500 0.014 0.000 0.841 529 K HN -0.027 nan 8.250 nan 0.000 0.523 530 E N 1.636 121.722 120.200 -0.189 0.000 2.414 530 E HA 0.017 4.366 4.350 -0.001 0.000 0.263 530 E C -0.597 175.890 176.600 -0.188 0.000 1.000 530 E CA 0.217 56.533 56.400 -0.140 0.000 0.914 530 E CB 0.454 30.022 29.700 -0.221 0.000 0.948 530 E HN 0.017 nan 8.360 nan 0.000 0.444 531 I N 5.709 126.216 120.570 -0.105 0.000 2.390 531 I HA 0.232 4.401 4.170 -0.001 0.000 0.283 531 I C -0.865 175.179 176.117 -0.122 0.000 1.016 531 I CA -0.696 60.526 61.300 -0.130 0.000 1.151 531 I CB 0.806 38.753 38.000 -0.088 0.000 1.293 531 I HN 0.200 nan 8.210 nan 0.000 0.458 532 V N 6.310 126.093 119.914 -0.219 0.000 2.487 532 V HA 0.459 4.578 4.120 -0.001 0.000 0.298 532 V C 0.273 176.186 176.094 -0.300 0.000 1.028 532 V CA -0.752 61.403 62.300 -0.241 0.000 0.860 532 V CB 2.673 34.223 31.823 -0.456 0.000 0.991 532 V HN 0.328 nan 8.190 nan 0.000 0.427 533 I N 4.842 125.291 120.570 -0.202 0.000 2.441 533 I HA 0.210 4.379 4.170 -0.001 0.000 0.287 533 I C 0.060 176.029 176.117 -0.246 0.000 1.049 533 I CA -0.316 60.875 61.300 -0.182 0.000 1.381 533 I CB 1.030 38.983 38.000 -0.079 0.000 1.409 533 I HN 0.481 nan 8.210 nan 0.000 0.523 534 L N 7.720 128.811 121.223 -0.220 0.000 2.360 534 L HA 0.286 4.625 4.340 -0.001 0.000 0.276 534 L C 0.384 177.238 176.870 -0.027 0.000 1.121 534 L CA 0.632 55.365 54.840 -0.179 0.000 0.845 534 L CB 0.477 42.496 42.059 -0.066 0.000 1.143 534 L HN 0.808 nan 8.230 nan 0.000 0.452 535 S N 1.820 117.563 115.700 0.072 0.000 2.599 535 S HA 0.418 4.887 4.470 -0.001 0.000 0.287 535 S C 0.490 175.194 174.600 0.174 0.000 1.105 535 S CA -0.168 58.102 58.200 0.116 0.000 0.899 535 S CB 1.377 64.658 63.200 0.134 0.000 1.100 535 S HN 0.760 nan 8.310 nan 0.000 0.482 536 E N 0.583 120.860 120.200 0.130 0.000 2.268 536 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 536 E C 0.530 177.223 176.600 0.156 0.000 0.995 536 E CA 1.314 57.795 56.400 0.135 0.000 0.836 536 E CB -0.445 29.307 29.700 0.086 0.000 0.763 536 E HN 0.762 nan 8.360 nan 0.000 0.491 537 D N 0.607 121.095 120.400 0.146 0.000 2.325 537 D HA -0.066 4.573 4.640 -0.001 0.000 0.225 537 D C -0.167 176.216 176.300 0.138 0.000 1.096 537 D CA -0.591 53.481 54.000 0.120 0.000 0.844 537 D CB -0.620 40.228 40.800 0.079 0.000 0.925 537 D HN 0.139 nan 8.370 nan 0.000 0.513 538 F N 2.232 122.237 119.950 0.091 0.000 2.543 538 F HA 0.195 4.721 4.527 -0.001 0.000 0.375 538 F C 0.173 176.050 175.800 0.128 0.000 1.075 538 F CA -0.111 57.938 58.000 0.083 0.000 1.225 538 F CB 0.494 39.521 39.000 0.046 0.000 1.099 538 F HN -0.294 nan 8.300 nan 0.000 0.561 539 K N 6.921 126.909 120.400 -0.686 0.000 2.507 539 K HA 0.345 4.664 4.320 -0.001 0.000 0.253 539 K C -0.467 175.777 176.600 -0.594 0.000 0.969 539 K CA -0.823 55.235 56.287 -0.382 0.000 0.908 539 K CB 2.025 34.430 32.500 -0.158 0.000 1.127 539 K HN 0.553 nan 8.250 nan 0.000 0.437 543 W N 1.582 122.757 121.300 -0.208 0.000 2.333 543 W HA -0.165 4.495 4.660 -0.001 0.000 0.316 543 W C 1.524 177.931 176.519 -0.187 0.000 1.215 543 W CA 2.002 59.210 57.345 -0.228 0.000 1.278 543 W CB -0.289 28.994 29.460 -0.296 0.000 1.154 543 W HN 0.164 nan 8.180 nan 0.000 0.486 544 W N 0.253 121.716 121.300 0.272 0.000 2.358 544 W HA -0.205 4.454 4.660 -0.001 0.000 0.303 544 W C 2.426 178.907 176.519 -0.064 0.000 1.208 544 W CA 1.503 58.906 57.345 0.097 0.000 1.274 544 W CB -1.156 28.331 29.460 0.045 0.000 1.138 544 W HN -0.102 nan 8.180 nan 0.000 0.515 545 N N 0.538 119.339 118.700 0.168 0.000 2.120 545 N HA -0.181 4.558 4.740 -0.001 0.000 0.188 545 N C 1.629 177.132 175.510 -0.012 0.000 1.024 545 N CA 1.313 54.411 53.050 0.080 0.000 0.852 545 N CB -0.472 38.057 38.487 0.069 0.000 1.003 545 N HN 0.116 nan 8.380 nan 0.000 0.424 546 L N -0.242 120.919 121.223 -0.103 0.000 2.395 546 L HA 0.124 4.463 4.340 -0.001 0.000 0.218 546 L C 0.647 177.367 176.870 -0.251 0.000 1.130 546 L CA 0.984 55.720 54.840 -0.173 0.000 0.826 546 L CB -0.078 41.852 42.059 -0.215 0.000 0.941 546 L HN 0.185 nan 8.230 nan 0.000 0.451 547 N N -0.970 117.542 118.700 -0.314 0.000 2.279 547 N HA 0.024 4.763 4.740 -0.001 0.000 0.226 547 N C 1.564 177.042 175.510 -0.053 0.000 1.126 547 N CA 0.702 53.561 53.050 -0.317 0.000 0.846 547 N CB 0.464 38.565 38.487 -0.644 0.000 1.050 547 N HN 0.413 nan 8.380 nan 0.000 0.502 548 S N 0.486 116.182 115.700 -0.008 0.000 2.399 548 S HA -0.054 4.415 4.470 -0.001 0.000 0.231 548 S C 1.752 176.359 174.600 0.012 0.000 1.022 548 S CA 0.715 58.952 58.200 0.062 0.000 0.983 548 S CB 0.086 63.319 63.200 0.056 0.000 0.803 548 S HN 0.085 nan 8.310 nan 0.000 0.480 549 K N 1.705 122.068 120.400 -0.063 0.000 2.116 549 K HA 0.108 4.428 4.320 -0.001 0.000 0.203 549 K C 2.115 178.619 176.600 -0.159 0.000 1.052 549 K CA 1.101 57.335 56.287 -0.088 0.000 0.952 549 K CB -0.379 32.060 32.500 -0.103 0.000 0.729 549 K HN 0.548 nan 8.250 nan 0.000 0.446 550 K N -0.009 120.228 120.400 -0.272 0.000 2.155 550 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 550 K C -0.001 176.219 176.600 -0.633 0.000 1.052 550 K CA 0.974 56.944 56.287 -0.528 0.000 0.948 550 K CB 0.226 32.283 32.500 -0.738 0.000 0.728 550 K HN 0.065 nan 8.250 nan 0.000 0.448 551 Y N -0.113 120.203 120.300 0.026 0.000 2.658 551 Y HA 0.259 4.809 4.550 -0.001 0.000 0.362 551 Y C -2.174 173.780 175.900 0.089 0.000 1.017 551 Y CA -2.359 55.811 58.100 0.118 0.000 1.134 551 Y CB 1.486 40.099 38.460 0.255 0.000 1.144 551 Y HN 0.111 nan 8.280 nan 0.000 0.655 552 P HA -0.198 nan 4.420 nan 0.000 0.214 552 P C 0.991 178.354 177.300 0.106 0.000 1.163 552 P CA 2.001 65.160 63.100 0.099 0.000 0.889 552 P CB 0.416 32.154 31.700 0.064 0.000 0.790 553 K N -1.406 119.066 120.400 0.120 0.000 2.128 553 K HA 0.023 4.343 4.320 -0.001 0.000 0.202 553 K C 2.015 178.647 176.600 0.054 0.000 1.050 553 K CA 0.548 56.886 56.287 0.086 0.000 0.966 553 K CB -0.868 31.687 32.500 0.091 0.000 0.759 553 K HN -0.015 nan 8.250 nan 0.000 0.454 554 L N 1.816 123.104 121.223 0.109 0.000 2.083 554 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 554 L C 2.337 179.022 176.870 -0.308 0.000 1.083 554 L CA 1.789 56.609 54.840 -0.034 0.000 0.752 554 L CB -0.531 41.587 42.059 0.097 0.000 0.899 554 L HN 0.215 nan 8.230 nan 0.000 0.433 555 S N -1.295 114.384 115.700 -0.036 0.000 2.383 555 S HA -0.207 4.262 4.470 -0.001 0.000 0.227 555 S C 1.995 176.448 174.600 -0.244 0.000 1.026 555 S CA 1.009 59.149 58.200 -0.099 0.000 0.981 555 S CB -0.541 62.817 63.200 0.264 0.000 0.818 555 S HN 0.495 nan 8.310 nan 0.000 0.472 556 K N 0.949 121.288 120.400 -0.102 0.000 2.057 556 K HA 0.037 4.356 4.320 -0.001 0.000 0.207 556 K C 2.214 178.734 176.600 -0.133 0.000 1.049 556 K CA 1.308 57.562 56.287 -0.055 0.000 0.931 556 K CB -0.521 31.993 32.500 0.024 0.000 0.714 556 K HN 0.357 nan 8.250 nan 0.000 0.440 557 L N 0.716 121.826 121.223 -0.189 0.000 2.027 557 L HA -0.177 4.162 4.340 -0.001 0.000 0.206 557 L C 2.451 179.136 176.870 -0.308 0.000 1.074 557 L CA 1.413 56.158 54.840 -0.157 0.000 0.745 557 L CB -0.492 41.507 42.059 -0.101 0.000 0.898 557 L HN 0.172 nan 8.230 nan 0.000 0.433 558 A N 0.065 122.349 122.820 -0.894 0.000 1.877 558 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 558 A C 2.154 179.303 177.584 -0.725 0.000 1.186 558 A CA 1.634 52.849 52.037 -1.370 0.000 0.620 558 A CB -0.768 16.387 19.000 -3.076 0.000 0.822 558 A HN 0.478 nan 8.150 nan 0.000 0.443 559 L N 0.376 121.208 121.223 -0.651 0.000 2.017 559 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 559 L C 3.091 179.690 176.870 -0.452 0.000 1.073 559 L CA 1.782 56.271 54.840 -0.586 0.000 0.745 559 L CB -0.531 41.031 42.059 -0.829 0.000 0.894 559 L HN 0.611 nan 8.230 nan 0.000 0.432 560 S N -0.146 115.412 115.700 -0.237 0.000 2.383 560 S HA -0.206 4.263 4.470 -0.001 0.000 0.227 560 S C 1.981 176.641 174.600 0.100 0.000 1.026 560 S CA 1.005 59.240 58.200 0.058 0.000 0.981 560 S CB -0.771 62.525 63.200 0.160 0.000 0.818 560 S HN 0.392 nan 8.310 nan 0.000 0.472 561 L N 0.685 121.982 121.223 0.123 0.000 2.056 561 L HA 0.138 4.477 4.340 -0.001 0.000 0.207 561 L C 2.259 179.236 176.870 0.178 0.000 1.078 561 L CA 1.206 56.207 54.840 0.269 0.000 0.749 561 L CB -0.261 42.066 42.059 0.447 0.000 0.901 561 L HN 0.309 nan 8.230 nan 0.000 0.433 562 L N -0.532 120.746 121.223 0.091 0.000 2.465 562 L HA -0.099 4.240 4.340 -0.001 0.000 0.224 562 L C 2.421 179.316 176.870 0.042 0.000 1.145 562 L CA 0.948 55.828 54.840 0.068 0.000 0.834 562 L CB -0.385 41.696 42.059 0.036 0.000 0.944 562 L HN 0.420 nan 8.230 nan 0.000 0.451 563 S N -0.850 114.879 115.700 0.047 0.000 2.558 563 S HA 0.133 4.602 4.470 -0.001 0.000 0.217 563 S C 0.765 175.395 174.600 0.050 0.000 0.975 563 S CA -0.302 57.941 58.200 0.071 0.000 0.912 563 S CB -0.401 62.886 63.200 0.145 0.000 0.776 563 S HN 0.235 nan 8.310 nan 0.000 0.526 564 I N 3.274 123.860 120.570 0.028 0.000 2.396 564 I HA 0.305 4.474 4.170 -0.001 0.000 0.289 564 I C -2.497 173.571 176.117 -0.082 0.000 1.056 564 I CA -2.458 58.818 61.300 -0.040 0.000 1.365 564 I CB 0.775 38.742 38.000 -0.056 0.000 1.407 564 I HN 0.004 nan 8.210 nan 0.000 0.509 565 P HA 0.072 nan 4.420 nan 0.000 0.271 565 P C 0.180 177.460 177.300 -0.034 0.000 1.218 565 P CA -0.173 62.834 63.100 -0.154 0.000 0.780 565 P CB 1.036 32.529 31.700 -0.345 0.000 0.901 566 A N 1.551 124.399 122.820 0.046 0.000 2.067 566 A HA 0.046 4.366 4.320 -0.001 0.000 0.217 566 A C 1.167 178.844 177.584 0.155 0.000 1.156 566 A CA 1.194 53.310 52.037 0.132 0.000 0.683 566 A CB -0.344 18.761 19.000 0.175 0.000 0.808 566 A HN 0.501 nan 8.150 nan 0.000 0.455 567 S N -1.052 114.724 115.700 0.128 0.000 2.513 567 S HA 0.398 4.867 4.470 -0.001 0.000 0.299 567 S C 1.106 175.814 174.600 0.181 0.000 1.087 567 S CA 0.090 58.395 58.200 0.176 0.000 1.012 567 S CB 1.555 64.875 63.200 0.200 0.000 1.044 567 S HN 0.539 nan 8.310 nan 0.000 0.485 568 S N 3.138 118.988 115.700 0.251 0.000 2.522 568 S HA 0.098 4.567 4.470 -0.001 0.000 0.227 568 S C 1.181 175.960 174.600 0.297 0.000 0.986 568 S CA 0.473 58.840 58.200 0.279 0.000 0.929 568 S CB -0.157 63.239 63.200 0.327 0.000 0.769 568 S HN 0.879 nan 8.310 nan 0.000 0.529 569 A N 0.540 123.529 122.820 0.282 0.000 2.507 569 A HA 0.824 5.143 4.320 -0.001 0.000 0.270 569 A C 1.894 179.568 177.584 0.150 0.000 1.318 569 A CA 0.304 52.474 52.037 0.222 0.000 0.924 569 A CB -0.740 18.370 19.000 0.184 0.000 1.061 569 A HN 0.601 nan 8.150 nan 0.000 0.516 570 A N -0.060 122.850 122.820 0.150 0.000 1.948 570 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 570 A C 2.096 179.704 177.584 0.040 0.000 1.177 570 A CA 2.234 54.330 52.037 0.099 0.000 0.636 570 A CB -0.454 18.596 19.000 0.083 0.000 0.815 570 A HN 0.441 nan 8.150 nan 0.000 0.449 571 S N -1.176 114.515 115.700 -0.015 0.000 2.575 571 S HA 0.076 4.545 4.470 -0.001 0.000 0.215 571 S C 1.346 175.629 174.600 -0.528 0.000 0.966 571 S CA 0.308 58.313 58.200 -0.325 0.000 0.911 571 S CB 0.071 62.927 63.200 -0.574 0.000 0.780 571 S HN 0.687 nan 8.310 nan 0.000 0.514 572 E N 1.461 121.552 120.200 -0.182 0.000 2.267 572 E HA -0.187 4.162 4.350 -0.001 0.000 0.197 572 E C 2.116 178.623 176.600 -0.155 0.000 0.998 572 E CA 0.659 56.992 56.400 -0.110 0.000 0.830 572 E CB 0.089 29.746 29.700 -0.071 0.000 0.751 572 E HN 0.114 nan 8.360 nan 0.000 0.491 573 R N -0.157 120.255 120.500 -0.147 0.000 2.092 573 R HA -0.062 4.277 4.340 -0.001 0.000 0.231 573 R C 2.007 178.239 176.300 -0.114 0.000 1.119 573 R CA 1.908 57.944 56.100 -0.106 0.000 0.970 573 R CB -0.754 29.504 30.300 -0.071 0.000 0.864 573 R HN 0.076 nan 8.270 nan 0.000 0.440 574 T N 0.050 114.487 114.554 -0.195 0.000 2.812 574 T HA 0.001 4.351 4.350 -0.001 0.000 0.264 574 T C 1.582 176.258 174.700 -0.040 0.000 1.042 574 T CA 1.364 63.374 62.100 -0.150 0.000 1.140 574 T CB -0.298 68.440 68.868 -0.217 0.000 0.870 574 T HN 0.189 nan 8.240 nan 0.000 0.445 575 F N 1.649 121.590 119.950 -0.015 0.000 2.161 575 F HA -0.155 4.372 4.527 -0.001 0.000 0.300 575 F C 2.882 178.620 175.800 -0.103 0.000 1.089 575 F CA 0.434 58.422 58.000 -0.021 0.000 1.282 575 F CB -0.351 38.639 39.000 -0.017 0.000 1.010 575 F HN 0.119 nan 8.300 nan 0.000 0.485 576 S N 0.633 116.341 115.700 0.013 0.000 2.368 576 S HA -0.116 4.353 4.470 -0.001 0.000 0.224 576 S C 1.945 176.529 174.600 -0.027 0.000 1.029 576 S CA 0.857 59.016 58.200 -0.070 0.000 0.988 576 S CB -0.458 62.674 63.200 -0.113 0.000 0.838 576 S HN 0.278 nan 8.310 nan 0.000 0.462 577 L N 0.965 122.184 121.223 -0.006 0.000 2.191 577 L HA -0.053 4.286 4.340 -0.001 0.000 0.212 577 L C 2.318 179.206 176.870 0.029 0.000 1.103 577 L CA 0.980 55.824 54.840 0.006 0.000 0.769 577 L CB -0.456 41.609 42.059 0.011 0.000 0.908 577 L HN 0.311 nan 8.230 nan 0.000 0.438 578 A N -0.275 122.583 122.820 0.062 0.000 2.251 578 A HA 0.188 4.507 4.320 -0.001 0.000 0.209 578 A C 2.228 179.839 177.584 0.045 0.000 1.187 578 A CA 0.632 52.716 52.037 0.078 0.000 0.823 578 A CB -0.621 18.464 19.000 0.141 0.000 0.846 578 A HN 0.385 nan 8.150 nan 0.000 0.486 579 G N 2.173 110.980 108.800 0.013 0.000 2.469 579 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.219 579 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.219 579 G C 1.387 176.289 174.900 0.002 0.000 1.150 579 G CA 1.348 46.439 45.100 -0.014 0.000 0.763 579 G HN 0.731 nan 8.290 nan 0.000 0.561 580 N N 2.002 120.704 118.700 0.003 0.000 2.069 580 N HA -0.169 4.570 4.740 -0.001 0.000 0.191 580 N C 2.248 177.773 175.510 0.025 0.000 1.031 580 N CA 2.005 55.057 53.050 0.005 0.000 0.852 580 N CB -0.934 37.547 38.487 -0.010 0.000 1.018 580 N HN 0.628 nan 8.380 nan 0.000 0.423 581 I N -1.687 118.905 120.570 0.037 0.000 3.291 581 I HA 0.153 4.322 4.170 -0.001 0.000 0.279 581 I C 1.897 178.050 176.117 0.060 0.000 1.294 581 I CA 0.428 61.758 61.300 0.050 0.000 1.428 581 I CB -0.356 37.679 38.000 0.060 0.000 1.070 581 I HN 0.166 nan 8.210 nan 0.000 0.478 582 I N -0.820 119.785 120.570 0.059 0.000 3.854 582 I HA 0.150 4.319 4.170 -0.001 0.000 0.312 582 I C 1.840 178.025 176.117 0.113 0.000 1.273 582 I CA 0.825 62.176 61.300 0.085 0.000 1.298 582 I CB -0.071 37.960 38.000 0.051 0.000 1.071 582 I HN 0.227 nan 8.210 nan 0.000 0.428 583 T N -2.333 112.273 114.554 0.087 0.000 3.075 583 T HA 0.175 4.524 4.350 -0.001 0.000 0.251 583 T C 0.706 175.464 174.700 0.098 0.000 0.979 583 T CA -0.068 62.101 62.100 0.115 0.000 1.033 583 T CB -0.243 68.701 68.868 0.126 0.000 1.104 583 T HN 0.144 nan 8.240 nan 0.000 0.473 584 E N 2.513 122.755 120.200 0.069 0.000 2.366 584 E HA 0.205 4.554 4.350 -0.001 0.000 0.266 584 E C 1.219 177.847 176.600 0.047 0.000 1.015 584 E CA -0.089 56.345 56.400 0.057 0.000 0.906 584 E CB 1.158 30.873 29.700 0.025 0.000 0.979 584 E HN 0.420 nan 8.360 nan 0.000 0.443 585 K N 4.625 125.053 120.400 0.048 0.000 2.020 585 K HA -0.272 4.047 4.320 -0.001 0.000 0.212 585 K C 1.895 178.510 176.600 0.024 0.000 1.050 585 K CA 1.683 57.989 56.287 0.032 0.000 0.929 585 K CB -0.019 32.498 32.500 0.028 0.000 0.714 585 K HN 0.489 nan 8.250 nan 0.000 0.443 586 R N 0.015 120.527 120.500 0.020 0.000 2.120 586 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 586 R C 0.903 177.214 176.300 0.019 0.000 1.123 586 R CA 1.668 57.776 56.100 0.015 0.000 0.975 586 R CB -0.012 30.291 30.300 0.006 0.000 0.866 586 R HN 0.341 nan 8.270 nan 0.000 0.446 587 N N 0.112 118.825 118.700 0.020 0.000 2.220 587 N HA -0.025 4.714 4.740 -0.001 0.000 0.195 587 N C -0.047 175.484 175.510 0.035 0.000 1.123 587 N CA -0.050 53.015 53.050 0.026 0.000 0.874 587 N CB 0.263 38.760 38.487 0.016 0.000 0.995 587 N HN 0.108 nan 8.380 nan 0.000 0.498 588 R N 2.305 122.827 120.500 0.036 0.000 2.484 588 R HA 0.114 4.453 4.340 -0.001 0.000 0.293 588 R C 0.286 176.610 176.300 0.040 0.000 1.023 588 R CA 0.024 56.150 56.100 0.043 0.000 1.037 588 R CB 0.152 30.477 30.300 0.042 0.000 0.951 588 R HN 0.155 nan 8.270 nan 0.000 0.418 589 I N 1.011 121.609 120.570 0.047 0.000 2.793 589 I HA 0.591 4.760 4.170 -0.001 0.000 0.313 589 I C 0.534 176.675 176.117 0.039 0.000 0.998 589 I CA -1.095 60.230 61.300 0.042 0.000 1.140 589 I CB 1.517 39.546 38.000 0.049 0.000 1.327 589 I HN 0.586 nan 8.210 nan 0.000 0.491 590 G N 1.619 110.436 108.800 0.029 0.000 2.594 590 G HA2 0.098 4.057 3.960 -0.001 0.000 0.243 590 G HA3 0.098 4.057 3.960 -0.001 0.000 0.243 590 G C 0.325 175.240 174.900 0.025 0.000 1.229 590 G CA -0.178 44.933 45.100 0.019 0.000 0.843 590 G HN 0.877 nan 8.290 nan 0.000 0.578 591 Q N -0.110 119.698 119.800 0.013 0.000 2.062 591 Q HA -0.216 4.124 4.340 -0.001 0.000 0.209 591 Q C 2.534 178.544 176.000 0.016 0.000 0.996 591 Q CA 2.373 58.185 55.803 0.014 0.000 0.859 591 Q CB -0.196 28.534 28.738 -0.014 0.000 0.920 591 Q HN 0.613 nan 8.270 nan 0.000 0.415 592 Q N -0.525 119.277 119.800 0.003 0.000 2.096 592 Q HA -0.121 4.219 4.340 -0.001 0.000 0.204 592 Q C 2.210 178.219 176.000 0.016 0.000 0.982 592 Q CA 2.213 58.015 55.803 -0.002 0.000 0.850 592 Q CB -1.134 27.593 28.738 -0.018 0.000 0.901 592 Q HN 0.755 nan 8.270 nan 0.000 0.422 593 T N -1.804 112.764 114.554 0.024 0.000 2.951 593 T HA -0.011 4.338 4.350 -0.001 0.000 0.268 593 T C 2.069 176.805 174.700 0.060 0.000 1.073 593 T CA 0.911 63.033 62.100 0.037 0.000 1.134 593 T CB -0.506 68.383 68.868 0.035 0.000 0.884 593 T HN -0.000 nan 8.240 nan 0.000 0.479 594 V N 2.575 122.528 119.914 0.066 0.000 2.295 594 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 594 V C 2.606 178.768 176.094 0.114 0.000 1.049 594 V CA 2.151 64.505 62.300 0.091 0.000 1.024 594 V CB -0.626 31.253 31.823 0.093 0.000 0.648 594 V HN 0.475 nan 8.190 nan 0.000 0.447 595 D N -0.196 120.264 120.400 0.101 0.000 2.117 595 D HA -0.111 4.528 4.640 -0.001 0.000 0.198 595 D C 2.437 178.839 176.300 0.170 0.000 0.982 595 D CA 1.607 55.686 54.000 0.132 0.000 0.828 595 D CB -0.240 40.611 40.800 0.086 0.000 0.967 595 D HN 0.366 nan 8.370 nan 0.000 0.464 596 S N 0.558 116.327 115.700 0.116 0.000 2.368 596 S HA -0.082 4.387 4.470 -0.001 0.000 0.225 596 S C 2.006 176.698 174.600 0.152 0.000 1.030 596 S CA 0.303 58.584 58.200 0.134 0.000 0.999 596 S CB -0.190 63.046 63.200 0.061 0.000 0.844 596 S HN 0.230 nan 8.310 nan 0.000 0.459 597 L N 0.762 122.051 121.223 0.111 0.000 2.056 597 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 597 L C 1.892 178.813 176.870 0.085 0.000 1.078 597 L CA 1.078 55.967 54.840 0.081 0.000 0.749 597 L CB -0.202 41.906 42.059 0.082 0.000 0.901 597 L HN 0.219 nan 8.230 nan 0.000 0.433 598 L N -0.891 120.419 121.223 0.145 0.000 2.056 598 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 598 L C 2.248 179.213 176.870 0.158 0.000 1.078 598 L CA 1.752 56.690 54.840 0.164 0.000 0.749 598 L CB -1.225 40.983 42.059 0.249 0.000 0.901 598 L HN 0.322 nan 8.230 nan 0.000 0.433 599 F N -0.618 119.391 119.950 0.099 0.000 2.102 599 F HA -0.223 4.303 4.527 -0.002 0.000 0.298 599 F C 2.242 178.085 175.800 0.072 0.000 1.105 599 F CA 1.273 59.347 58.000 0.125 0.000 1.239 599 F CB -0.373 38.752 39.000 0.209 0.000 0.991 599 F HN 0.042 nan 8.300 nan 0.000 0.474 600 L N 1.349 122.423 121.223 -0.248 0.000 2.046 600 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 600 L C 2.369 178.882 176.870 -0.596 0.000 1.077 600 L CA 1.890 56.413 54.840 -0.530 0.000 0.747 600 L CB -1.482 40.354 42.059 -0.372 0.000 0.896 600 L HN 0.362 nan 8.230 nan 0.000 0.432 601 N N -0.803 117.728 118.700 -0.282 0.000 2.120 601 N HA -0.202 4.537 4.740 -0.001 0.000 0.188 601 N C 1.905 177.370 175.510 -0.074 0.000 1.024 601 N CA 1.816 54.797 53.050 -0.114 0.000 0.852 601 N CB 0.022 38.508 38.487 -0.001 0.000 1.003 601 N HN 0.554 nan 8.380 nan 0.000 0.424 602 S N -0.497 115.144 115.700 -0.099 0.000 2.428 602 S HA -0.102 4.368 4.470 -0.001 0.000 0.230 602 S C 2.038 176.598 174.600 -0.066 0.000 1.014 602 S CA 0.338 58.495 58.200 -0.073 0.000 0.957 602 S CB -0.863 62.307 63.200 -0.050 0.000 0.784 602 S HN 0.409 nan 8.310 nan 0.000 0.499 603 F N 1.702 121.469 119.950 -0.304 0.000 2.102 603 F HA -0.018 4.508 4.527 -0.001 0.000 0.298 603 F C 2.137 178.030 175.800 0.155 0.000 1.105 603 F CA 1.398 59.318 58.000 -0.133 0.000 1.239 603 F CB -0.541 38.160 39.000 -0.498 0.000 0.991 603 F HN 0.190 nan 8.300 nan 0.000 0.474 604 Y N 0.232 120.610 120.300 0.130 0.000 2.128 604 Y HA -0.306 4.243 4.550 -0.001 0.000 0.284 604 Y C 2.705 178.573 175.900 -0.054 0.000 1.154 604 Y CA 1.240 59.377 58.100 0.063 0.000 1.149 604 Y CB -0.514 38.005 38.460 0.098 0.000 0.976 604 Y HN 0.049 nan 8.280 nan 0.000 0.505 605 K N 0.575 121.040 120.400 0.107 0.000 2.063 605 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 605 K C 1.608 178.139 176.600 -0.115 0.000 1.048 605 K CA 1.540 57.827 56.287 -0.001 0.000 0.928 605 K CB -0.122 32.369 32.500 -0.015 0.000 0.713 605 K HN 0.334 nan 8.250 nan 0.000 0.442 606 N N -0.686 117.887 118.700 -0.212 0.000 2.251 606 N HA -0.056 4.683 4.740 -0.001 0.000 0.181 606 N C 1.305 176.428 175.510 -0.645 0.000 1.019 606 N CA 1.120 53.883 53.050 -0.478 0.000 0.862 606 N CB 0.086 38.161 38.487 -0.687 0.000 0.992 606 N HN 0.152 nan 8.380 nan 0.000 0.429 607 F N -0.437 119.272 119.950 -0.402 0.000 2.720 607 F HA 0.259 4.785 4.527 -0.002 0.000 0.301 607 F C 1.101 176.755 175.800 -0.244 0.000 1.103 607 F CA -0.182 57.577 58.000 -0.403 0.000 1.291 607 F CB 0.412 38.954 39.000 -0.764 0.000 1.086 607 F HN -0.064 nan 8.300 nan 0.000 0.592 608 C N 1.312 120.600 119.300 -0.019 0.000 2.638 608 C HA 0.401 4.860 4.460 -0.001 0.000 0.282 608 C C 0.224 175.209 174.990 -0.008 0.000 1.473 608 C CA -1.084 57.947 59.018 0.020 0.000 1.781 608 C CB -2.000 25.774 27.740 0.057 0.000 2.780 608 C HN 0.397 nan 8.230 nan 0.000 0.531 609 K N 0.000 120.383 120.400 -0.029 0.000 2.780 609 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 609 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 609 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 609 K HN 0.000 nan 8.250 nan 0.000 0.543