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 1ry2_1_A DATA FIRST_RESID 74 DATA SEQUENCE QDYQRLHKES IEDPAKFFGS KATQFLNWSK PFDKVFIPDP KTGRPSFQNN DATA SEQUENCE AWFLNGQLNA CYNCVDRHAL KTPNKKAIIF EGDEPGQGYS ITYKELLEEV DATA SEQUENCE CQVAQVLTYS MGVRKGDTVA VYMPMVPEAI ITLLAISRIG AIHSVVFAGF DATA SEQUENCE SSNSLRDRIN DGDSKVVITT DESNRGGKVI ETKRIVDDAL RETPGVRHVL DATA SEQUENCE VYRKTNNPSV AFHAPRDLDW ATEKKKYKTY YPCTPVDSED PLFLLYTSGS DATA SEQUENCE TGAPKGVQHS TAGYLLGALL TMRYTFDTHQ EDVFFTAGDI GWITGHTYVV DATA SEQUENCE YGPLLYGCAT LVFEGTPAYP NYSRYWDIID EHKVTQFYVA PTALRLLKRA DATA SEQUENCE GDSYIENHSL KSLRCLGSVG EPIAAEVWEW YSEKIGKNEI PIVDTYWQTE DATA SEQUENCE SGSHLVTPLA GGVTPMKPGS ASFPFFGIDA VVLDPNTGEE LNTSHAEGVL DATA SEQUENCE AVKAAWPSFA RTIWKNHDRY LDTYLNPYPG YYFTGDGAAK DKDGYIWILG DATA SEQUENCE RVDDVVNVSG HRLSTAEIEA AIIEDPIVAE CAVVGFNDDL TGQAVAAFVV DATA SEQUENCE LKXXXXXXXX XXXXLQDIKK HLVFTVRKDI GPFAAPKLII LVDDLPKTRS DATA SEQUENCE GKIMRRILRK ILAXXXXXXX XXXXXXNPGI VRHLIDSVKL 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 74 Q HA 0.000 nan 4.340 nan 0.000 0.214 74 Q C 0.000 176.000 176.000 0.000 0.000 1.003 74 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 74 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 75 D N 0.819 121.228 120.400 0.015 0.000 2.177 75 D HA -0.201 4.439 4.640 -0.000 0.000 0.189 75 D C 1.649 177.944 176.300 -0.009 0.000 1.002 75 D CA 1.770 55.773 54.000 0.005 0.000 0.845 75 D CB -0.393 40.431 40.800 0.041 0.000 0.960 75 D HN 0.298 nan 8.370 nan 0.000 0.447 76 Y N 1.233 121.501 120.300 -0.053 0.000 2.151 76 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 76 Y C 2.290 178.169 175.900 -0.034 0.000 1.166 76 Y CA 1.876 59.960 58.100 -0.026 0.000 1.163 76 Y CB -0.288 38.047 38.460 -0.208 0.000 0.974 76 Y HN -0.043 nan 8.280 nan 0.000 0.511 77 Q N 0.132 119.866 119.800 -0.111 0.000 2.084 77 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 77 Q C 2.282 178.176 176.000 -0.177 0.000 0.978 77 Q CA 2.247 57.961 55.803 -0.148 0.000 0.844 77 Q CB -0.196 28.515 28.738 -0.045 0.000 0.898 77 Q HN 0.487 nan 8.270 nan 0.000 0.426 78 R N -0.175 120.237 120.500 -0.146 0.000 2.051 78 R HA 0.046 4.386 4.340 -0.000 0.000 0.225 78 R C 2.375 178.540 176.300 -0.226 0.000 1.155 78 R CA 1.024 57.039 56.100 -0.142 0.000 0.945 78 R CB -0.686 29.556 30.300 -0.098 0.000 0.840 78 R HN 0.146 nan 8.270 nan 0.000 0.432 79 L N 0.534 121.582 121.223 -0.292 0.000 2.103 79 L HA -0.303 4.037 4.340 -0.000 0.000 0.215 79 L C 2.821 179.283 176.870 -0.681 0.000 1.080 79 L CA 1.465 55.987 54.840 -0.530 0.000 0.764 79 L CB -0.708 40.829 42.059 -0.870 0.000 0.890 79 L HN 0.428 nan 8.230 nan 0.000 0.435 80 H N 0.384 119.160 119.070 -0.491 0.000 2.403 80 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 80 H C 2.256 177.356 175.328 -0.381 0.000 1.059 80 H CA 1.492 57.303 56.048 -0.394 0.000 1.363 80 H CB 0.366 29.703 29.762 -0.708 0.000 1.410 80 H HN 0.271 nan 8.280 nan 0.000 0.528 81 K N 0.850 121.091 120.400 -0.265 0.000 2.155 81 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 81 K C 2.162 178.618 176.600 -0.241 0.000 1.052 81 K CA 1.046 57.215 56.287 -0.197 0.000 0.948 81 K CB 0.092 32.532 32.500 -0.101 0.000 0.728 81 K HN 0.312 nan 8.250 nan 0.000 0.448 82 E N 0.423 120.454 120.200 -0.282 0.000 2.077 82 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 82 E C 1.645 178.052 176.600 -0.322 0.000 0.989 82 E CA 1.581 57.854 56.400 -0.213 0.000 0.800 82 E CB 0.003 29.627 29.700 -0.126 0.000 0.746 82 E HN 0.397 nan 8.360 nan 0.000 0.452 83 S N -0.620 114.621 115.700 -0.766 0.000 2.481 83 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 83 S C 1.680 176.052 174.600 -0.379 0.000 0.996 83 S CA 0.439 58.065 58.200 -0.956 0.000 0.942 83 S CB 0.002 62.123 63.200 -1.797 0.000 0.768 83 S HN 0.164 nan 8.310 nan 0.000 0.520 84 I N 2.591 122.953 120.570 -0.348 0.000 2.729 84 I HA 0.097 4.267 4.170 -0.000 0.000 0.256 84 I C 2.490 178.559 176.117 -0.080 0.000 1.115 84 I CA 0.874 62.058 61.300 -0.194 0.000 1.446 84 I CB -0.369 37.495 38.000 -0.227 0.000 1.176 84 I HN 0.494 nan 8.210 nan 0.000 0.446 85 E N -0.553 119.605 120.200 -0.071 0.000 2.442 85 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 85 E C -0.000 176.617 176.600 0.028 0.000 1.030 85 E CA 0.602 56.995 56.400 -0.011 0.000 0.869 85 E CB 0.132 29.826 29.700 -0.010 0.000 0.857 85 E HN 0.216 nan 8.360 nan 0.000 0.505 86 D N 0.680 121.097 120.400 0.028 0.000 2.945 86 D HA 0.122 4.762 4.640 -0.000 0.000 0.340 86 D C -1.849 174.555 176.300 0.173 0.000 1.240 86 D CA -1.990 52.070 54.000 0.100 0.000 0.749 86 D CB 0.982 41.828 40.800 0.077 0.000 1.217 86 D HN -0.121 nan 8.370 nan 0.000 0.514 87 P HA -0.185 nan 4.420 nan 0.000 0.218 87 P C 1.400 179.054 177.300 0.590 0.000 1.148 87 P CA 0.909 64.262 63.100 0.420 0.000 0.822 87 P CB 0.345 32.223 31.700 0.296 0.000 0.784 88 A N 1.082 124.239 122.820 0.560 0.000 1.873 88 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 88 A C 2.263 180.080 177.584 0.389 0.000 1.193 88 A CA 2.122 54.470 52.037 0.518 0.000 0.629 88 A CB -0.965 18.247 19.000 0.353 0.000 0.826 88 A HN 0.092 nan 8.150 nan 0.000 0.447 89 K N -1.346 119.225 120.400 0.286 0.000 2.062 89 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 89 K C 1.786 178.493 176.600 0.178 0.000 1.051 89 K CA 1.173 57.582 56.287 0.203 0.000 0.941 89 K CB -0.849 31.735 32.500 0.140 0.000 0.719 89 K HN 0.535 nan 8.250 nan 0.000 0.440 90 F N 0.987 120.955 119.950 0.030 0.000 2.046 90 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 90 F C 1.966 177.694 175.800 -0.119 0.000 1.123 90 F CA 1.621 59.528 58.000 -0.155 0.000 1.199 90 F CB -0.365 38.387 39.000 -0.413 0.000 0.972 90 F HN -0.107 nan 8.300 nan 0.000 0.474 91 F N -0.010 120.108 119.950 0.280 0.000 2.416 91 F HA 0.128 4.655 4.527 -0.000 0.000 0.296 91 F C 2.600 178.600 175.800 0.334 0.000 1.099 91 F CA 0.738 58.905 58.000 0.278 0.000 1.427 91 F CB -1.124 38.204 39.000 0.545 0.000 1.079 91 F HN 0.058 nan 8.300 nan 0.000 0.536 92 G N -0.856 108.260 108.800 0.528 0.000 2.418 92 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 92 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 92 G C 1.846 176.955 174.900 0.348 0.000 1.158 92 G CA 1.209 46.601 45.100 0.488 0.000 0.771 92 G HN 0.375 nan 8.290 nan 0.000 0.545 93 S N 0.087 115.903 115.700 0.194 0.000 2.371 93 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 93 S C 2.388 177.061 174.600 0.121 0.000 1.029 93 S CA 1.461 59.726 58.200 0.108 0.000 0.978 93 S CB -0.180 63.031 63.200 0.018 0.000 0.833 93 S HN 0.247 nan 8.310 nan 0.000 0.466 94 K N 1.528 121.973 120.400 0.076 0.000 2.097 94 K HA 0.113 4.433 4.320 -0.000 0.000 0.205 94 K C 2.393 179.196 176.600 0.338 0.000 1.050 94 K CA 1.128 57.535 56.287 0.200 0.000 0.938 94 K CB -0.992 31.479 32.500 -0.048 0.000 0.718 94 K HN 0.455 nan 8.250 nan 0.000 0.442 95 A N 1.203 124.177 122.820 0.256 0.000 1.940 95 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 95 A C 2.240 180.080 177.584 0.427 0.000 1.176 95 A CA 2.254 54.401 52.037 0.184 0.000 0.631 95 A CB -0.856 17.977 19.000 -0.278 0.000 0.814 95 A HN 0.327 nan 8.150 nan 0.000 0.446 96 T N -1.071 113.687 114.554 0.340 0.000 3.014 96 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 96 T C 1.981 176.824 174.700 0.238 0.000 1.078 96 T CA 1.130 63.393 62.100 0.272 0.000 1.135 96 T CB -0.027 68.894 68.868 0.089 0.000 0.895 96 T HN 0.635 nan 8.240 nan 0.000 0.480 97 Q N 0.078 120.005 119.800 0.210 0.000 1.969 97 Q HA -0.047 4.292 4.340 -0.000 0.000 0.198 97 Q C 1.586 177.591 176.000 0.008 0.000 0.978 97 Q CA 1.522 57.361 55.803 0.060 0.000 0.830 97 Q CB -0.143 28.597 28.738 0.003 0.000 0.896 97 Q HN 0.491 nan 8.270 nan 0.000 0.431 98 F N 0.321 120.314 119.950 0.071 0.000 2.456 98 F HA 0.138 4.665 4.527 -0.000 0.000 0.298 98 F C 0.573 176.394 175.800 0.035 0.000 1.104 98 F CA 0.438 58.464 58.000 0.044 0.000 1.435 98 F CB 0.224 39.256 39.000 0.054 0.000 1.078 98 F HN 0.012 nan 8.300 nan 0.000 0.546 99 L N -0.129 121.245 121.223 0.251 0.000 2.342 99 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 99 L C -0.671 176.229 176.870 0.050 0.000 1.008 99 L CA -1.013 53.851 54.840 0.041 0.000 0.818 99 L CB 1.388 43.309 42.059 -0.229 0.000 1.296 99 L HN -0.247 nan 8.230 nan 0.000 0.427 100 N N 1.280 119.949 118.700 -0.053 0.000 2.422 100 N HA 0.350 5.090 4.740 -0.000 0.000 0.266 100 N C -1.432 174.010 175.510 -0.114 0.000 1.007 100 N CA -0.270 52.812 53.050 0.053 0.000 0.941 100 N CB 0.774 39.362 38.487 0.169 0.000 1.115 100 N HN 0.280 nan 8.380 nan 0.000 0.492 101 W N 0.477 121.772 121.300 -0.008 0.000 2.570 101 W HA 0.382 5.042 4.660 -0.000 0.000 0.337 101 W C 1.197 177.668 176.519 -0.081 0.000 1.067 101 W CA -0.647 56.685 57.345 -0.022 0.000 1.229 101 W CB 0.988 30.460 29.460 0.021 0.000 1.355 101 W HN 0.415 nan 8.180 nan 0.000 0.555 102 S N 0.621 116.401 115.700 0.135 0.000 2.439 102 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 102 S C 0.268 174.911 174.600 0.071 0.000 1.029 102 S CA 0.514 58.729 58.200 0.024 0.000 0.946 102 S CB 0.082 63.265 63.200 -0.028 0.000 0.797 102 S HN 0.394 nan 8.310 nan 0.000 0.504 103 K N 1.851 122.342 120.400 0.153 0.000 2.581 103 K HA 0.282 4.602 4.320 -0.000 0.000 0.249 103 K C -3.201 173.461 176.600 0.103 0.000 0.966 103 K CA -2.161 54.183 56.287 0.095 0.000 0.811 103 K CB 1.766 34.315 32.500 0.082 0.000 1.223 103 K HN -0.100 nan 8.250 nan 0.000 0.438 104 P HA -0.031 nan 4.420 nan 0.000 0.266 104 P C -0.481 176.650 177.300 -0.282 0.000 1.195 104 P CA 0.016 62.917 63.100 -0.333 0.000 0.768 104 P CB 0.054 31.523 31.700 -0.384 0.000 0.838 105 F N 0.329 120.089 119.950 -0.317 0.000 2.389 105 F HA 0.308 4.835 4.527 -0.000 0.000 0.337 105 F C 0.921 176.668 175.800 -0.088 0.000 1.112 105 F CA -0.538 57.373 58.000 -0.148 0.000 1.192 105 F CB -0.323 38.591 39.000 -0.143 0.000 1.185 105 F HN 0.145 nan 8.300 nan 0.000 0.552 106 D N 0.491 120.986 120.400 0.158 0.000 2.113 106 D HA 0.016 4.656 4.640 -0.000 0.000 0.206 106 D C 0.127 176.512 176.300 0.143 0.000 0.979 106 D CA 1.290 55.333 54.000 0.072 0.000 0.862 106 D CB 0.022 40.845 40.800 0.038 0.000 1.013 106 D HN 0.551 nan 8.370 nan 0.000 0.455 107 K N 0.124 120.608 120.400 0.139 0.000 2.164 107 K HA 0.317 4.637 4.320 -0.000 0.000 0.258 107 K C 0.572 177.216 176.600 0.074 0.000 0.951 107 K CA -0.402 55.918 56.287 0.056 0.000 0.844 107 K CB 2.077 34.526 32.500 -0.085 0.000 1.099 107 K HN -0.209 nan 8.250 nan 0.000 0.435 108 V N 3.700 123.629 119.914 0.025 0.000 2.358 108 V HA -0.046 4.074 4.120 -0.000 0.000 0.246 108 V C 0.318 176.236 176.094 -0.293 0.000 1.047 108 V CA 1.392 63.703 62.300 0.018 0.000 1.035 108 V CB -0.818 31.163 31.823 0.263 0.000 0.658 108 V HN 0.747 nan 8.190 nan 0.000 0.452 109 F N -3.377 116.213 119.950 -0.600 0.000 2.741 109 F HA 0.631 5.158 4.527 -0.000 0.000 0.311 109 F C -1.222 174.249 175.800 -0.547 0.000 1.149 109 F CA -1.808 55.605 58.000 -0.978 0.000 0.930 109 F CB 0.899 38.783 39.000 -1.860 0.000 1.312 109 F HN -0.267 nan 8.300 nan 0.000 0.450 110 I N 4.385 124.743 120.570 -0.353 0.000 2.297 110 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 110 I C -2.124 173.940 176.117 -0.090 0.000 1.033 110 I CA -1.923 59.225 61.300 -0.253 0.000 1.253 110 I CB 1.410 39.325 38.000 -0.142 0.000 1.396 110 I HN 0.367 nan 8.210 nan 0.000 0.476 111 P HA 0.069 nan 4.420 nan 0.000 0.277 111 P C -0.991 176.330 177.300 0.036 0.000 1.271 111 P CA -0.368 62.770 63.100 0.065 0.000 0.795 111 P CB 0.945 32.637 31.700 -0.014 0.000 1.101 112 D N 0.708 121.147 120.400 0.065 0.000 2.396 112 D HA 0.125 4.765 4.640 -0.000 0.000 0.225 112 D C -1.201 175.119 176.300 0.033 0.000 1.121 112 D CA -2.620 51.408 54.000 0.048 0.000 0.853 112 D CB 0.440 41.271 40.800 0.052 0.000 1.043 112 D HN 0.113 nan 8.370 nan 0.000 0.500 113 P HA -0.206 nan 4.420 nan 0.000 0.217 113 P C 0.104 177.414 177.300 0.017 0.000 1.148 113 P CA 0.908 64.013 63.100 0.009 0.000 0.834 113 P CB 0.117 31.819 31.700 0.004 0.000 0.783 114 K N 1.574 121.989 120.400 0.025 0.000 3.387 114 K HA 0.079 4.399 4.320 -0.000 0.000 0.300 114 K C 0.022 176.638 176.600 0.027 0.000 0.980 114 K CA 0.373 56.675 56.287 0.025 0.000 1.098 114 K CB -1.383 31.135 32.500 0.030 0.000 1.227 114 K HN 0.269 nan 8.250 nan 0.000 0.367 115 T N -2.404 112.165 114.554 0.025 0.000 1.654 115 T HA -0.151 4.199 4.350 -0.000 0.000 0.631 115 T C 0.186 174.909 174.700 0.038 0.000 0.940 115 T CA 0.268 62.385 62.100 0.030 0.000 3.353 115 T CB -1.384 67.500 68.868 0.027 0.000 1.933 115 T HN 0.614 nan 8.240 nan 0.000 0.395 116 G N 2.228 111.060 108.800 0.052 0.000 2.550 116 G HA2 0.616 4.576 3.960 -0.000 0.000 0.293 116 G HA3 0.616 4.576 3.960 -0.000 0.000 0.293 116 G C -0.636 174.322 174.900 0.098 0.000 1.402 116 G CA -1.128 44.006 45.100 0.057 0.000 0.784 116 G HN 0.735 nan 8.290 nan 0.000 0.482 117 R N -0.276 120.252 120.500 0.046 0.000 2.611 117 R HA 0.391 4.731 4.340 -0.000 0.000 0.243 117 R C -2.182 174.097 176.300 -0.036 0.000 1.260 117 R CA -1.278 54.810 56.100 -0.019 0.000 1.095 117 R CB 0.041 30.285 30.300 -0.093 0.000 1.259 117 R HN 0.226 nan 8.270 nan 0.000 0.575 118 P HA -0.088 nan 4.420 nan 0.000 0.260 118 P C -0.711 176.511 177.300 -0.129 0.000 1.172 118 P CA 0.592 63.540 63.100 -0.253 0.000 0.760 118 P CB 0.577 32.036 31.700 -0.401 0.000 0.773 119 S N 3.360 119.055 115.700 -0.008 0.000 2.560 119 S HA 0.104 4.574 4.470 -0.000 0.000 0.284 119 S C 0.840 175.467 174.600 0.045 0.000 1.327 119 S CA -0.115 58.098 58.200 0.021 0.000 1.055 119 S CB -0.300 62.938 63.200 0.064 0.000 0.868 119 S HN 0.319 nan 8.310 nan 0.000 0.506 120 F N 1.983 122.009 119.950 0.127 0.000 2.179 120 F HA 0.006 4.532 4.527 -0.000 0.000 0.292 120 F C 2.774 178.710 175.800 0.226 0.000 1.089 120 F CA 0.753 58.858 58.000 0.175 0.000 1.295 120 F CB -0.105 38.990 39.000 0.158 0.000 1.041 120 F HN 0.628 nan 8.300 nan 0.000 0.487 121 Q N 0.075 120.111 119.800 0.393 0.000 2.124 121 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 121 Q C 0.408 176.564 176.000 0.259 0.000 0.977 121 Q CA 1.073 57.067 55.803 0.318 0.000 0.850 121 Q CB 0.005 28.879 28.738 0.227 0.000 0.901 121 Q HN 0.347 nan 8.270 nan 0.000 0.429 122 N N 0.751 119.559 118.700 0.180 0.000 2.401 122 N HA 0.040 4.780 4.740 -0.000 0.000 0.264 122 N C -0.764 174.791 175.510 0.074 0.000 1.238 122 N CA -0.063 53.047 53.050 0.100 0.000 0.889 122 N CB -0.008 38.510 38.487 0.051 0.000 1.196 122 N HN 0.248 nan 8.380 nan 0.000 0.511 123 N N 1.602 120.383 118.700 0.135 0.000 2.294 123 N HA 0.048 4.788 4.740 -0.000 0.000 0.263 123 N C -0.774 174.777 175.510 0.068 0.000 1.281 123 N CA 0.421 53.540 53.050 0.116 0.000 0.846 123 N CB 0.394 39.017 38.487 0.227 0.000 1.061 123 N HN 0.182 nan 8.380 nan 0.000 0.478 124 A N 4.088 126.902 122.820 -0.010 0.000 2.530 124 A HA 0.412 4.732 4.320 -0.000 0.000 0.297 124 A C -1.955 175.519 177.584 -0.184 0.000 1.059 124 A CA -0.682 51.351 52.037 -0.008 0.000 0.782 124 A CB 0.461 19.436 19.000 -0.041 0.000 1.301 124 A HN 0.694 nan 8.150 nan 0.000 0.394 125 W N 0.690 121.842 121.300 -0.246 0.000 2.781 125 W HA 0.685 5.345 4.660 -0.000 0.000 0.345 125 W C -0.144 176.083 176.519 -0.485 0.000 1.085 125 W CA -0.659 56.342 57.345 -0.573 0.000 1.198 125 W CB 0.531 29.363 29.460 -1.046 0.000 1.423 125 W HN 0.762 nan 8.180 nan 0.000 0.532 126 F N 0.753 120.749 119.950 0.077 0.000 3.039 126 F HA -0.258 4.269 4.527 -0.000 0.000 0.287 126 F C 0.386 176.268 175.800 0.137 0.000 0.956 126 F CA -0.707 57.220 58.000 -0.123 0.000 0.971 126 F CB -2.245 36.639 39.000 -0.193 0.000 0.943 126 F HN 0.143 nan 8.300 nan 0.000 0.766 127 L N 0.652 121.990 121.223 0.192 0.000 2.605 127 L HA -0.123 4.217 4.340 -0.000 0.000 0.296 127 L C 1.643 178.635 176.870 0.203 0.000 1.255 127 L CA 1.069 56.000 54.840 0.153 0.000 0.879 127 L CB -0.162 41.931 42.059 0.057 0.000 1.124 127 L HN 0.613 nan 8.230 nan 0.000 0.507 128 N N -0.375 118.419 118.700 0.157 0.000 2.765 128 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 128 N C 0.574 176.202 175.510 0.196 0.000 1.063 128 N CA 0.419 53.552 53.050 0.139 0.000 0.862 128 N CB -0.866 37.673 38.487 0.087 0.000 1.145 128 N HN 0.880 nan 8.380 nan 0.000 0.581 129 G N 0.142 109.135 108.800 0.322 0.000 2.476 129 G HA2 0.434 4.394 3.960 -0.000 0.000 0.269 129 G HA3 0.434 4.394 3.960 -0.000 0.000 0.269 129 G C -0.442 174.727 174.900 0.447 0.000 1.195 129 G CA -0.166 45.203 45.100 0.448 0.000 0.843 129 G HN 0.111 nan 8.290 nan 0.000 0.545 130 Q N 0.104 120.170 119.800 0.443 0.000 2.337 130 Q HA 0.622 4.962 4.340 -0.000 0.000 0.270 130 Q C -0.460 175.671 176.000 0.219 0.000 1.043 130 Q CA -0.614 55.348 55.803 0.265 0.000 0.794 130 Q CB 2.687 31.512 28.738 0.145 0.000 1.281 130 Q HN 0.650 nan 8.270 nan 0.000 0.446 131 L N -0.360 120.882 121.223 0.032 0.000 2.801 131 L HA 0.719 5.059 4.340 -0.000 0.000 0.264 131 L C -1.721 175.090 176.870 -0.098 0.000 1.086 131 L CA -1.085 53.675 54.840 -0.134 0.000 0.920 131 L CB 2.369 44.142 42.059 -0.477 0.000 1.529 131 L HN 0.495 nan 8.230 nan 0.000 0.399 132 N N -0.485 118.164 118.700 -0.086 0.000 2.430 132 N HA 0.658 5.398 4.740 -0.000 0.000 0.290 132 N C 0.298 175.845 175.510 0.062 0.000 1.063 132 N CA 0.271 53.324 53.050 0.005 0.000 0.883 132 N CB 2.408 40.921 38.487 0.044 0.000 1.465 132 N HN 0.934 nan 8.380 nan 0.000 0.493 133 A N 2.318 125.175 122.820 0.062 0.000 1.849 133 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 133 A C 2.501 180.185 177.584 0.168 0.000 1.202 133 A CA 1.913 54.022 52.037 0.120 0.000 0.629 133 A CB -1.328 17.778 19.000 0.176 0.000 0.834 133 A HN 0.851 nan 8.150 nan 0.000 0.447 134 C N -1.907 117.489 119.300 0.161 0.000 2.396 134 C HA -0.197 4.263 4.460 -0.000 0.000 0.277 134 C C 2.506 177.567 174.990 0.119 0.000 1.231 134 C CA 1.361 60.460 59.018 0.135 0.000 1.775 134 C CB -1.644 26.157 27.740 0.103 0.000 2.036 134 C HN 0.674 nan 8.230 nan 0.000 0.484 135 Y N 1.784 122.105 120.300 0.036 0.000 2.181 135 Y HA -0.104 4.446 4.550 -0.000 0.000 0.288 135 Y C 2.398 178.302 175.900 0.007 0.000 1.146 135 Y CA 2.264 60.374 58.100 0.018 0.000 1.164 135 Y CB -0.530 37.922 38.460 -0.014 0.000 0.982 135 Y HN 0.388 nan 8.280 nan 0.000 0.515 136 N N -0.991 117.786 118.700 0.127 0.000 2.409 136 N HA -0.136 4.604 4.740 -0.000 0.000 0.179 136 N C 1.424 176.986 175.510 0.086 0.000 1.032 136 N CA 1.306 54.389 53.050 0.055 0.000 0.898 136 N CB -0.306 38.219 38.487 0.063 0.000 0.971 136 N HN 0.370 nan 8.380 nan 0.000 0.441 137 C N -0.612 118.772 119.300 0.139 0.000 2.634 137 C HA 0.222 4.682 4.460 -0.000 0.000 0.268 137 C C 2.287 177.454 174.990 0.295 0.000 1.322 137 C CA -0.149 59.000 59.018 0.219 0.000 1.737 137 C CB -0.203 27.644 27.740 0.179 0.000 1.976 137 C HN 0.133 nan 8.230 nan 0.000 0.547 138 V N -0.243 119.776 119.914 0.174 0.000 3.914 138 V HA 0.067 4.186 4.120 -0.000 0.000 0.187 138 V C 1.479 177.604 176.094 0.052 0.000 1.258 138 V CA 0.775 63.213 62.300 0.231 0.000 1.298 138 V CB -0.938 30.966 31.823 0.135 0.000 1.453 138 V HN 0.116 nan 8.190 nan 0.000 0.553 139 D N 1.822 122.133 120.400 -0.148 0.000 2.355 139 D HA -0.300 4.340 4.640 -0.000 0.000 0.192 139 D C 2.052 178.094 176.300 -0.429 0.000 1.014 139 D CA 2.597 56.409 54.000 -0.313 0.000 0.862 139 D CB -0.395 40.052 40.800 -0.588 0.000 0.986 139 D HN 0.570 nan 8.370 nan 0.000 0.456 140 R N 0.012 120.050 120.500 -0.770 0.000 2.185 140 R HA -0.215 4.125 4.340 -0.000 0.000 0.247 140 R C 1.650 177.628 176.300 -0.536 0.000 1.159 140 R CA 1.683 57.417 56.100 -0.611 0.000 0.988 140 R CB -0.762 29.157 30.300 -0.634 0.000 0.871 140 R HN 0.452 nan 8.270 nan 0.000 0.458 141 H N -0.012 118.865 119.070 -0.320 0.000 2.525 141 H HA 0.251 4.807 4.556 -0.000 0.000 0.275 141 H C 2.053 177.204 175.328 -0.295 0.000 0.984 141 H CA 0.950 56.730 56.048 -0.446 0.000 1.264 141 H CB 0.278 29.457 29.762 -0.972 0.000 1.432 141 H HN 0.444 nan 8.280 nan 0.000 0.549 142 A N 1.031 123.829 122.820 -0.037 0.000 1.970 142 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 142 A C 2.140 179.723 177.584 -0.002 0.000 1.170 142 A CA 0.461 52.532 52.037 0.056 0.000 0.645 142 A CB -0.506 18.555 19.000 0.102 0.000 0.816 142 A HN 0.250 nan 8.150 nan 0.000 0.447 143 L N -1.490 119.699 121.223 -0.057 0.000 2.612 143 L HA 0.103 4.443 4.340 -0.000 0.000 0.230 143 L C 1.698 178.532 176.870 -0.059 0.000 1.140 143 L CA 0.434 55.242 54.840 -0.054 0.000 0.896 143 L CB -0.057 41.965 42.059 -0.061 0.000 1.065 143 L HN 0.340 nan 8.230 nan 0.000 0.447 144 K N -0.605 119.755 120.400 -0.067 0.000 2.524 144 K HA 0.139 4.458 4.320 -0.000 0.000 0.210 144 K C 0.714 177.293 176.600 -0.034 0.000 1.340 144 K CA 0.578 56.830 56.287 -0.059 0.000 0.880 144 K CB 0.688 33.136 32.500 -0.086 0.000 1.616 144 K HN 0.105 nan 8.250 nan 0.000 0.457 145 T N 0.558 115.091 114.554 -0.036 0.000 3.390 145 T HA 0.247 4.597 4.350 -0.000 0.000 0.351 145 T C -2.163 172.559 174.700 0.037 0.000 1.759 145 T CA -1.716 60.380 62.100 -0.006 0.000 1.561 145 T CB 0.955 69.812 68.868 -0.018 0.000 1.011 145 T HN -0.104 nan 8.240 nan 0.000 0.689 146 P HA -0.098 nan 4.420 nan 0.000 0.218 146 P C 0.881 178.244 177.300 0.106 0.000 1.148 146 P CA 0.993 64.144 63.100 0.086 0.000 0.822 146 P CB 0.204 31.936 31.700 0.053 0.000 0.784 147 N N -0.483 118.265 118.700 0.081 0.000 2.412 147 N HA 0.003 4.743 4.740 -0.000 0.000 0.184 147 N C 0.877 176.446 175.510 0.097 0.000 1.101 147 N CA 0.291 53.388 53.050 0.078 0.000 0.881 147 N CB 0.205 38.724 38.487 0.054 0.000 0.969 147 N HN 0.308 nan 8.380 nan 0.000 0.459 148 K N 1.644 122.120 120.400 0.127 0.000 2.237 148 K HA 0.126 4.446 4.320 -0.000 0.000 0.270 148 K C -0.094 176.627 176.600 0.202 0.000 1.015 148 K CA -0.221 56.156 56.287 0.149 0.000 0.949 148 K CB 0.844 33.431 32.500 0.144 0.000 0.976 148 K HN -0.114 nan 8.250 nan 0.000 0.472 149 K N 1.661 122.145 120.400 0.140 0.000 2.350 149 K HA 0.086 4.406 4.320 -0.000 0.000 0.279 149 K C 0.269 176.888 176.600 0.032 0.000 1.027 149 K CA -0.231 56.102 56.287 0.077 0.000 0.969 149 K CB 1.346 33.882 32.500 0.060 0.000 0.954 149 K HN 0.655 nan 8.250 nan 0.000 0.474 150 A N 4.172 126.866 122.820 -0.210 0.000 1.969 150 A HA 0.240 4.560 4.320 -0.000 0.000 0.205 150 A C 0.580 178.002 177.584 -0.269 0.000 1.364 150 A CA 0.358 52.064 52.037 -0.551 0.000 0.756 150 A CB 0.301 18.504 19.000 -1.327 0.000 0.988 150 A HN 0.616 nan 8.150 nan 0.000 0.490 151 I N 0.889 121.343 120.570 -0.194 0.000 2.433 151 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 151 I C -1.349 174.721 176.117 -0.078 0.000 1.001 151 I CA -0.387 60.841 61.300 -0.120 0.000 1.119 151 I CB 1.943 39.871 38.000 -0.119 0.000 1.289 151 I HN 0.112 nan 8.210 nan 0.000 0.438 152 I N 6.302 126.811 120.570 -0.101 0.000 2.390 152 I HA 0.264 4.434 4.170 -0.000 0.000 0.283 152 I C -0.585 175.411 176.117 -0.201 0.000 1.016 152 I CA -0.469 60.734 61.300 -0.161 0.000 1.151 152 I CB 1.179 39.026 38.000 -0.256 0.000 1.293 152 I HN 0.378 nan 8.210 nan 0.000 0.458 153 F N 6.085 125.792 119.950 -0.405 0.000 2.377 153 F HA 0.535 5.062 4.527 -0.000 0.000 0.328 153 F C 0.051 175.656 175.800 -0.325 0.000 1.094 153 F CA -0.415 57.325 58.000 -0.434 0.000 1.093 153 F CB 1.203 39.753 39.000 -0.749 0.000 1.214 153 F HN 0.357 nan 8.300 nan 0.000 0.518 154 E N 2.632 122.102 120.200 -1.216 0.000 2.343 154 E HA 0.417 4.767 4.350 -0.000 0.000 0.260 154 E C -0.173 175.822 176.600 -1.008 0.000 0.908 154 E CA -0.391 55.522 56.400 -0.812 0.000 0.814 154 E CB 1.031 30.492 29.700 -0.399 0.000 1.302 154 E HN 0.857 nan 8.360 nan 0.000 0.408 155 G N 2.139 110.418 108.800 -0.869 0.000 2.744 155 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.257 155 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.257 155 G C 0.653 175.535 174.900 -0.029 0.000 1.244 155 G CA 0.071 44.949 45.100 -0.371 0.000 0.916 155 G HN 0.625 nan 8.290 nan 0.000 0.564 156 D N -0.728 119.706 120.400 0.057 0.000 2.178 156 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 156 D C 0.726 177.204 176.300 0.298 0.000 0.974 156 D CA 0.698 54.786 54.000 0.146 0.000 0.841 156 D CB 0.136 40.975 40.800 0.065 0.000 0.953 156 D HN 0.304 nan 8.370 nan 0.000 0.478 157 E N 0.483 120.802 120.200 0.198 0.000 2.249 157 E HA 0.179 4.529 4.350 -0.000 0.000 0.280 157 E C -1.706 174.937 176.600 0.071 0.000 1.016 157 E CA -1.926 54.566 56.400 0.152 0.000 0.830 157 E CB 1.337 31.113 29.700 0.128 0.000 1.081 157 E HN 0.011 nan 8.360 nan 0.000 0.395 158 P HA -0.212 nan 4.420 nan 0.000 0.222 158 P C 0.579 177.874 177.300 -0.008 0.000 0.846 158 P CA 1.419 64.511 63.100 -0.012 0.000 1.068 158 P CB -0.029 31.653 31.700 -0.030 0.000 0.669 159 G N -0.188 108.612 108.800 0.000 0.000 2.909 159 G HA2 -0.009 3.950 3.960 -0.000 0.000 0.269 159 G HA3 -0.009 3.950 3.960 -0.000 0.000 0.269 159 G C 0.286 175.212 174.900 0.045 0.000 0.726 159 G CA -0.001 45.107 45.100 0.014 0.000 2.082 159 G HN 0.261 nan 8.290 nan 0.000 0.588 160 Q N 0.565 120.393 119.800 0.047 0.000 2.086 160 Q HA 0.186 4.526 4.340 -0.000 0.000 0.220 160 Q C 1.009 177.094 176.000 0.140 0.000 0.792 160 Q CA -0.257 55.611 55.803 0.108 0.000 1.062 160 Q CB 1.062 29.867 28.738 0.112 0.000 1.198 160 Q HN 0.453 nan 8.270 nan 0.000 0.466 161 G N 0.961 109.804 108.800 0.073 0.000 2.547 161 G HA2 0.533 4.493 3.960 -0.000 0.000 0.291 161 G HA3 0.533 4.493 3.960 -0.000 0.000 0.291 161 G C -0.724 174.325 174.900 0.249 0.000 1.211 161 G CA -0.153 44.973 45.100 0.042 0.000 0.950 161 G HN 0.173 nan 8.290 nan 0.000 0.504 162 Y N -3.001 117.400 120.300 0.168 0.000 2.765 162 Y HA 0.661 5.211 4.550 -0.000 0.000 0.350 162 Y C -0.663 175.309 175.900 0.119 0.000 1.196 162 Y CA -1.529 56.652 58.100 0.135 0.000 1.119 162 Y CB 0.390 38.927 38.460 0.128 0.000 1.368 162 Y HN 0.578 nan 8.280 nan 0.000 0.463 163 S N 1.575 117.487 115.700 0.353 0.000 2.607 163 S HA 0.796 5.266 4.470 -0.000 0.000 0.303 163 S C -1.044 173.700 174.600 0.239 0.000 1.086 163 S CA -0.868 57.456 58.200 0.206 0.000 0.995 163 S CB 1.434 64.703 63.200 0.114 0.000 1.084 163 S HN 0.571 nan 8.310 nan 0.000 0.507 164 I N 1.670 122.311 120.570 0.119 0.000 2.411 164 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 164 I C 0.593 176.700 176.117 -0.016 0.000 1.012 164 I CA -0.338 61.000 61.300 0.063 0.000 1.119 164 I CB 1.880 39.900 38.000 0.032 0.000 1.261 164 I HN 0.512 nan 8.210 nan 0.000 0.448 165 T N 3.417 117.982 114.554 0.017 0.000 2.701 165 T HA 0.052 4.402 4.350 -0.000 0.000 0.303 165 T C 1.026 175.720 174.700 -0.010 0.000 1.030 165 T CA 0.699 62.820 62.100 0.034 0.000 1.010 165 T CB 0.486 69.397 68.868 0.073 0.000 1.007 165 T HN 0.407 nan 8.240 nan 0.000 0.532 166 Y N 0.296 120.616 120.300 0.034 0.000 2.337 166 Y HA 0.110 4.660 4.550 -0.000 0.000 0.293 166 Y C 2.553 178.474 175.900 0.036 0.000 1.123 166 Y CA 1.347 59.468 58.100 0.034 0.000 1.201 166 Y CB 0.027 38.513 38.460 0.044 0.000 1.011 166 Y HN 0.587 nan 8.280 nan 0.000 0.545 167 K N 0.767 121.273 120.400 0.176 0.000 2.026 167 K HA -0.224 4.095 4.320 -0.000 0.000 0.208 167 K C 1.554 178.206 176.600 0.085 0.000 1.048 167 K CA 2.044 58.401 56.287 0.117 0.000 0.929 167 K CB -0.085 32.468 32.500 0.088 0.000 0.713 167 K HN 0.374 nan 8.250 nan 0.000 0.439 168 E N 0.450 120.687 120.200 0.061 0.000 2.152 168 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 168 E C 1.925 178.540 176.600 0.026 0.000 0.983 168 E CA 0.622 57.046 56.400 0.039 0.000 0.818 168 E CB -0.028 29.689 29.700 0.028 0.000 0.758 168 E HN 0.188 nan 8.360 nan 0.000 0.467 169 L N 1.187 122.413 121.223 0.005 0.000 2.093 169 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 169 L C 2.077 178.958 176.870 0.019 0.000 1.085 169 L CA 1.234 56.061 54.840 -0.021 0.000 0.755 169 L CB -0.479 41.517 42.059 -0.106 0.000 0.904 169 L HN 0.136 nan 8.230 nan 0.000 0.435 170 L N 0.032 121.291 121.223 0.060 0.000 2.012 170 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 170 L C 2.384 179.299 176.870 0.076 0.000 1.073 170 L CA 1.960 56.851 54.840 0.086 0.000 0.748 170 L CB -0.990 41.144 42.059 0.126 0.000 0.891 170 L HN 0.468 nan 8.230 nan 0.000 0.431 171 E N -0.704 119.540 120.200 0.074 0.000 2.038 171 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 171 E C 1.986 178.602 176.600 0.027 0.000 1.000 171 E CA 1.424 57.863 56.400 0.065 0.000 0.803 171 E CB -0.265 29.468 29.700 0.055 0.000 0.750 171 E HN 0.536 nan 8.360 nan 0.000 0.448 172 E N 0.707 120.916 120.200 0.014 0.000 2.031 172 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 172 E C 2.393 178.966 176.600 -0.045 0.000 0.994 172 E CA 0.876 57.269 56.400 -0.012 0.000 0.800 172 E CB -0.447 29.262 29.700 0.016 0.000 0.752 172 E HN 0.128 nan 8.360 nan 0.000 0.447 173 V N 0.871 120.772 119.914 -0.022 0.000 2.720 173 V HA -0.243 3.877 4.120 -0.000 0.000 0.256 173 V C 2.390 178.458 176.094 -0.043 0.000 1.082 173 V CA 1.279 63.560 62.300 -0.032 0.000 1.101 173 V CB -0.518 31.303 31.823 -0.004 0.000 0.693 173 V HN 0.299 nan 8.190 nan 0.000 0.479 174 C N -0.837 118.448 119.300 -0.026 0.000 2.485 174 C HA -0.060 4.400 4.460 -0.000 0.000 0.278 174 C C 2.737 177.668 174.990 -0.097 0.000 1.356 174 C CA 0.376 59.379 59.018 -0.024 0.000 1.747 174 C CB -0.676 27.070 27.740 0.009 0.000 2.001 174 C HN 0.584 nan 8.230 nan 0.000 0.501 175 Q N 0.145 119.891 119.800 -0.091 0.000 2.172 175 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 175 Q C 2.236 178.109 176.000 -0.211 0.000 0.964 175 Q CA 1.225 56.974 55.803 -0.090 0.000 0.855 175 Q CB -0.120 28.583 28.738 -0.058 0.000 0.918 175 Q HN 0.559 nan 8.270 nan 0.000 0.444 176 V N 0.873 120.623 119.914 -0.273 0.000 2.548 176 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 176 V C 2.252 178.169 176.094 -0.295 0.000 1.055 176 V CA 1.546 63.630 62.300 -0.359 0.000 1.065 176 V CB -0.795 30.791 31.823 -0.396 0.000 0.681 176 V HN 0.316 nan 8.190 nan 0.000 0.462 177 A N -0.409 122.267 122.820 -0.240 0.000 1.933 177 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 177 A C 2.187 179.513 177.584 -0.429 0.000 1.175 177 A CA 1.755 53.671 52.037 -0.202 0.000 0.628 177 A CB -0.388 18.604 19.000 -0.012 0.000 0.814 177 A HN 0.620 nan 8.150 nan 0.000 0.444 178 Q N -0.578 118.809 119.800 -0.688 0.000 2.245 178 Q HA -0.036 4.303 4.340 -0.000 0.000 0.201 178 Q C 2.035 177.395 176.000 -1.066 0.000 0.955 178 Q CA 1.189 56.351 55.803 -1.068 0.000 0.870 178 Q CB -0.205 27.797 28.738 -1.227 0.000 0.945 178 Q HN 0.501 nan 8.270 nan 0.000 0.461 179 V N 1.191 120.668 119.914 -0.728 0.000 2.358 179 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 179 V C 2.156 178.087 176.094 -0.271 0.000 1.047 179 V CA 1.504 63.591 62.300 -0.355 0.000 1.035 179 V CB -0.472 31.235 31.823 -0.194 0.000 0.658 179 V HN 0.337 nan 8.190 nan 0.000 0.452 180 L N -0.350 120.707 121.223 -0.277 0.000 2.017 180 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 180 L C 2.626 179.367 176.870 -0.216 0.000 1.073 180 L CA 2.040 56.766 54.840 -0.191 0.000 0.745 180 L CB -0.945 41.027 42.059 -0.146 0.000 0.894 180 L HN 0.358 nan 8.230 nan 0.000 0.432 181 T N -1.616 112.730 114.554 -0.346 0.000 2.770 181 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 181 T C 1.645 176.098 174.700 -0.411 0.000 1.039 181 T CA 1.365 63.206 62.100 -0.432 0.000 1.142 181 T CB -0.247 68.196 68.868 -0.708 0.000 0.868 181 T HN 0.178 nan 8.240 nan 0.000 0.435 182 Y N 0.798 120.951 120.300 -0.244 0.000 2.347 182 Y HA 0.247 4.797 4.550 -0.000 0.000 0.294 182 Y C 2.890 178.757 175.900 -0.054 0.000 1.117 182 Y CA 0.118 58.143 58.100 -0.126 0.000 1.184 182 Y CB -0.302 38.092 38.460 -0.111 0.000 1.047 182 Y HN 0.100 nan 8.280 nan 0.000 0.546 183 S N -0.796 114.941 115.700 0.062 0.000 2.439 183 S HA 0.035 4.505 4.470 -0.000 0.000 0.224 183 S C 1.665 176.115 174.600 -0.250 0.000 1.029 183 S CA 0.909 59.096 58.200 -0.023 0.000 0.946 183 S CB -0.038 63.167 63.200 0.009 0.000 0.797 183 S HN 0.356 nan 8.310 nan 0.000 0.504 184 M N -0.363 119.108 119.600 -0.216 0.000 2.379 184 M HA 0.283 4.763 4.480 -0.000 0.000 0.265 184 M C 1.209 177.522 176.300 0.022 0.000 1.095 184 M CA 0.393 55.556 55.300 -0.229 0.000 1.075 184 M CB 0.715 33.235 32.600 -0.133 0.000 1.443 184 M HN 0.346 nan 8.290 nan 0.000 0.519 185 G N 1.852 110.641 108.800 -0.019 0.000 2.160 185 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 185 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 185 G C -0.067 174.829 174.900 -0.006 0.000 1.022 185 G CA -0.211 44.892 45.100 0.006 0.000 0.741 185 G HN 0.300 nan 8.290 nan 0.000 0.508 186 V N 1.408 121.300 119.914 -0.035 0.000 2.686 186 V HA 0.614 4.734 4.120 -0.000 0.000 0.295 186 V C 0.720 176.788 176.094 -0.044 0.000 1.055 186 V CA -0.266 62.018 62.300 -0.026 0.000 1.050 186 V CB 1.138 32.944 31.823 -0.029 0.000 0.984 186 V HN 0.470 nan 8.190 nan 0.000 0.482 187 R N 2.704 123.191 120.500 -0.020 0.000 2.919 187 R HA 0.445 4.785 4.340 -0.000 0.000 0.260 187 R C -0.364 175.929 176.300 -0.011 0.000 1.067 187 R CA -1.323 54.764 56.100 -0.022 0.000 1.003 187 R CB 0.770 31.064 30.300 -0.009 0.000 1.192 187 R HN 0.668 nan 8.270 nan 0.000 0.488 188 K N 0.704 121.097 120.400 -0.012 0.000 2.430 188 K HA 0.114 4.434 4.320 -0.000 0.000 0.280 188 K C 0.453 177.057 176.600 0.006 0.000 1.063 188 K CA 1.448 57.731 56.287 -0.006 0.000 1.071 188 K CB -0.267 32.228 32.500 -0.008 0.000 0.899 188 K HN 0.787 nan 8.250 nan 0.000 0.473 189 G N 3.451 112.255 108.800 0.007 0.000 2.278 189 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.210 189 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.210 189 G C -0.399 174.518 174.900 0.029 0.000 1.000 189 G CA -0.052 45.061 45.100 0.022 0.000 0.635 189 G HN 0.698 nan 8.290 nan 0.000 0.495 190 D N 1.285 121.697 120.400 0.021 0.000 2.368 190 D HA 0.485 5.125 4.640 -0.000 0.000 0.240 190 D C 0.441 176.738 176.300 -0.005 0.000 1.169 190 D CA 0.759 54.774 54.000 0.025 0.000 0.906 190 D CB 0.682 41.496 40.800 0.023 0.000 1.187 190 D HN 0.070 nan 8.370 nan 0.000 0.435 191 T N 0.796 115.343 114.554 -0.011 0.000 2.743 191 T HA 0.375 4.725 4.350 -0.000 0.000 0.292 191 T C -0.222 174.477 174.700 -0.002 0.000 0.972 191 T CA -0.606 61.458 62.100 -0.059 0.000 0.967 191 T CB 0.723 69.515 68.868 -0.128 0.000 0.926 191 T HN -0.023 nan 8.240 nan 0.000 0.459 192 V N 3.484 123.411 119.914 0.022 0.000 2.350 192 V HA 0.609 4.729 4.120 -0.000 0.000 0.276 192 V C 0.533 176.667 176.094 0.067 0.000 1.028 192 V CA -1.086 61.244 62.300 0.051 0.000 0.860 192 V CB 0.948 32.809 31.823 0.064 0.000 0.990 192 V HN 1.044 nan 8.190 nan 0.000 0.453 193 A N 5.153 128.009 122.820 0.060 0.000 2.363 193 A HA 0.694 5.014 4.320 -0.000 0.000 0.270 193 A C -0.378 177.254 177.584 0.079 0.000 1.121 193 A CA -0.280 51.798 52.037 0.069 0.000 0.800 193 A CB 0.748 19.778 19.000 0.050 0.000 1.052 193 A HN 0.684 nan 8.150 nan 0.000 0.493 194 V N 3.095 123.056 119.914 0.078 0.000 2.407 194 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 194 V C -1.291 174.866 176.094 0.104 0.000 1.018 194 V CA -0.194 62.143 62.300 0.061 0.000 0.842 194 V CB 1.234 33.037 31.823 -0.033 0.000 0.996 194 V HN 0.797 nan 8.190 nan 0.000 0.426 195 Y N 6.763 127.049 120.300 -0.023 0.000 2.863 195 Y HA 0.740 5.290 4.550 -0.000 0.000 0.348 195 Y C -0.343 175.543 175.900 -0.025 0.000 1.028 195 Y CA -0.560 57.525 58.100 -0.025 0.000 1.213 195 Y CB 0.722 39.185 38.460 0.005 0.000 1.120 195 Y HN 0.590 nan 8.280 nan 0.000 0.598 196 M N 5.401 124.894 119.600 -0.179 0.000 2.631 196 M HA 0.562 5.042 4.480 -0.000 0.000 0.288 196 M C -2.660 173.513 176.300 -0.212 0.000 1.260 196 M CA -1.847 53.350 55.300 -0.172 0.000 0.842 196 M CB 2.652 35.186 32.600 -0.110 0.000 1.743 196 M HN 0.197 nan 8.290 nan 0.000 0.461 197 P HA 0.325 nan 4.420 nan 0.000 0.284 197 P C -0.951 176.290 177.300 -0.097 0.000 1.292 197 P CA -0.492 62.535 63.100 -0.122 0.000 0.800 197 P CB 0.713 32.363 31.700 -0.084 0.000 1.188 198 M N 1.132 120.702 119.600 -0.050 0.000 3.042 198 M HA 0.156 4.636 4.480 -0.000 0.000 0.283 198 M C -0.013 176.327 176.300 0.067 0.000 1.473 198 M CA -0.032 55.264 55.300 -0.007 0.000 1.583 198 M CB -1.315 31.306 32.600 0.034 0.000 1.221 198 M HN 0.140 nan 8.290 nan 0.000 0.518 199 V N 1.404 121.254 119.914 -0.106 0.000 3.040 199 V HA 0.591 4.711 4.120 -0.000 0.000 0.312 199 V C -2.449 173.380 176.094 -0.442 0.000 1.115 199 V CA -1.827 60.243 62.300 -0.384 0.000 0.998 199 V CB 1.658 33.278 31.823 -0.338 0.000 1.042 199 V HN 0.248 nan 8.190 nan 0.000 0.433 200 P HA -0.145 nan 4.420 nan 0.000 0.215 200 P C 1.313 178.428 177.300 -0.309 0.000 1.163 200 P CA 2.003 64.879 63.100 -0.373 0.000 0.894 200 P CB 0.159 31.675 31.700 -0.306 0.000 0.791 201 E N -0.573 119.355 120.200 -0.453 0.000 2.233 201 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 201 E C 2.000 178.415 176.600 -0.309 0.000 1.004 201 E CA 1.583 57.670 56.400 -0.523 0.000 0.819 201 E CB -1.020 27.784 29.700 -1.493 0.000 0.738 201 E HN 0.235 nan 8.360 nan 0.000 0.478 202 A N 0.647 123.288 122.820 -0.298 0.000 1.898 202 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 202 A C 2.032 179.498 177.584 -0.197 0.000 1.181 202 A CA 1.144 53.053 52.037 -0.214 0.000 0.620 202 A CB -0.317 18.555 19.000 -0.213 0.000 0.819 202 A HN 0.138 nan 8.150 nan 0.000 0.442 203 I N 0.824 121.271 120.570 -0.206 0.000 2.202 203 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 203 I C 2.613 178.637 176.117 -0.155 0.000 1.091 203 I CA 1.739 62.911 61.300 -0.214 0.000 1.368 203 I CB -1.394 36.488 38.000 -0.197 0.000 1.058 203 I HN 0.624 nan 8.210 nan 0.000 0.410 204 I N -0.727 119.795 120.570 -0.080 0.000 2.493 204 I HA -0.200 3.969 4.170 -0.000 0.000 0.254 204 I C 2.363 178.489 176.117 0.016 0.000 1.160 204 I CA 1.418 62.709 61.300 -0.017 0.000 1.445 204 I CB -0.686 37.343 38.000 0.048 0.000 1.086 204 I HN 0.033 nan 8.210 nan 0.000 0.433 205 T N 1.997 116.591 114.554 0.066 0.000 2.674 205 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 205 T C 1.820 176.507 174.700 -0.022 0.000 1.039 205 T CA 1.891 64.039 62.100 0.081 0.000 1.150 205 T CB -0.310 68.638 68.868 0.133 0.000 0.864 205 T HN 0.226 nan 8.240 nan 0.000 0.427 206 L N 0.725 121.869 121.223 -0.131 0.000 2.042 206 L HA -0.027 4.312 4.340 -0.000 0.000 0.210 206 L C 2.328 179.180 176.870 -0.030 0.000 1.076 206 L CA 1.494 56.207 54.840 -0.213 0.000 0.749 206 L CB -0.936 40.806 42.059 -0.527 0.000 0.893 206 L HN 0.274 nan 8.230 nan 0.000 0.432 207 L N -1.445 119.741 121.223 -0.061 0.000 2.141 207 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 207 L C 2.620 179.511 176.870 0.035 0.000 1.094 207 L CA 0.995 55.837 54.840 0.004 0.000 0.763 207 L CB -0.847 41.195 42.059 -0.027 0.000 0.908 207 L HN 0.236 nan 8.230 nan 0.000 0.437 208 A N 0.451 123.275 122.820 0.008 0.000 1.933 208 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 208 A C 2.247 179.842 177.584 0.018 0.000 1.175 208 A CA 1.367 53.401 52.037 -0.005 0.000 0.628 208 A CB -0.591 18.378 19.000 -0.051 0.000 0.814 208 A HN 0.363 nan 8.150 nan 0.000 0.444 209 I N 0.561 121.160 120.570 0.049 0.000 2.202 209 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 209 I C 2.857 179.022 176.117 0.081 0.000 1.091 209 I CA 1.695 63.038 61.300 0.073 0.000 1.368 209 I CB -0.426 37.656 38.000 0.136 0.000 1.058 209 I HN 0.505 nan 8.210 nan 0.000 0.410 210 S N 0.897 116.672 115.700 0.124 0.000 2.406 210 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 210 S C 2.134 176.776 174.600 0.069 0.000 1.020 210 S CA 0.536 58.797 58.200 0.102 0.000 0.965 210 S CB -0.500 62.799 63.200 0.164 0.000 0.798 210 S HN 0.359 nan 8.310 nan 0.000 0.488 211 R N 1.671 122.210 120.500 0.066 0.000 2.117 211 R HA -0.083 4.257 4.340 -0.000 0.000 0.243 211 R C 2.041 178.352 176.300 0.018 0.000 1.143 211 R CA 1.923 58.051 56.100 0.047 0.000 0.968 211 R CB -0.538 29.788 30.300 0.044 0.000 0.863 211 R HN 0.783 nan 8.270 nan 0.000 0.444 212 I N -3.280 117.302 120.570 0.020 0.000 3.861 212 I HA 0.367 4.537 4.170 -0.000 0.000 0.329 212 I C 0.602 176.715 176.117 -0.007 0.000 1.321 212 I CA 0.461 61.763 61.300 0.003 0.000 1.126 212 I CB 0.518 38.524 38.000 0.010 0.000 1.018 212 I HN 0.244 nan 8.210 nan 0.000 0.407 213 G N 1.523 110.324 108.800 0.002 0.000 2.160 213 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.251 213 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.251 213 G C 0.274 175.171 174.900 -0.004 0.000 1.008 213 G CA 0.132 45.231 45.100 -0.002 0.000 0.724 213 G HN 0.950 nan 8.290 nan 0.000 0.514 214 A N -0.799 122.022 122.820 0.003 0.000 2.256 214 A HA 0.870 5.190 4.320 -0.000 0.000 0.318 214 A C 0.166 177.741 177.584 -0.014 0.000 1.103 214 A CA -0.570 51.467 52.037 -0.001 0.000 0.860 214 A CB 0.843 19.850 19.000 0.011 0.000 1.182 214 A HN 0.772 nan 8.150 nan 0.000 0.501 215 I N 1.701 122.249 120.570 -0.037 0.000 2.354 215 I HA 0.245 4.414 4.170 -0.000 0.000 0.286 215 I C -0.500 175.596 176.117 -0.036 0.000 1.007 215 I CA -0.604 60.638 61.300 -0.096 0.000 1.167 215 I CB 1.152 39.056 38.000 -0.159 0.000 1.320 215 I HN 0.825 nan 8.210 nan 0.000 0.458 216 H N 3.599 122.706 119.070 0.061 0.000 2.582 216 H HA 0.567 5.123 4.556 -0.000 0.000 0.345 216 H C -0.790 174.590 175.328 0.087 0.000 1.104 216 H CA -1.122 54.957 56.048 0.051 0.000 1.390 216 H CB 0.833 30.609 29.762 0.022 0.000 1.461 216 H HN 0.368 nan 8.280 nan 0.000 0.551 217 S N 3.252 119.104 115.700 0.254 0.000 2.653 217 S HA 0.303 4.773 4.470 -0.000 0.000 0.272 217 S C -0.631 174.078 174.600 0.182 0.000 1.221 217 S CA -0.942 57.395 58.200 0.229 0.000 1.149 217 S CB 0.494 63.780 63.200 0.143 0.000 1.029 217 S HN 0.540 nan 8.310 nan 0.000 0.481 218 V N 3.401 123.424 119.914 0.183 0.000 2.530 218 V HA 0.390 4.510 4.120 -0.000 0.000 0.282 218 V C 0.116 176.239 176.094 0.049 0.000 1.048 218 V CA -0.371 61.960 62.300 0.051 0.000 0.997 218 V CB 1.214 33.014 31.823 -0.038 0.000 0.987 218 V HN 0.614 nan 8.190 nan 0.000 0.477 219 V N 4.771 124.685 119.914 -0.000 0.000 2.604 219 V HA 0.424 4.544 4.120 -0.000 0.000 0.305 219 V C -0.246 175.734 176.094 -0.190 0.000 1.043 219 V CA -0.844 61.433 62.300 -0.037 0.000 0.888 219 V CB 1.804 33.705 31.823 0.130 0.000 0.995 219 V HN 0.667 nan 8.190 nan 0.000 0.429 220 F N 2.572 122.179 119.950 -0.571 0.000 2.612 220 F HA 0.088 4.615 4.527 -0.000 0.000 0.389 220 F C 1.563 177.097 175.800 -0.443 0.000 1.055 220 F CA 0.705 58.359 58.000 -0.577 0.000 1.232 220 F CB 0.833 39.247 39.000 -0.977 0.000 1.044 220 F HN 0.664 nan 8.300 nan 0.000 0.560 221 A N 3.745 126.383 122.820 -0.303 0.000 2.215 221 A HA 0.149 4.469 4.320 -0.000 0.000 0.208 221 A C 1.768 179.170 177.584 -0.302 0.000 1.296 221 A CA 1.160 52.783 52.037 -0.689 0.000 0.918 221 A CB -1.095 17.628 19.000 -0.461 0.000 0.806 221 A HN 0.989 nan 8.150 nan 0.000 0.490 222 G N -1.651 107.188 108.800 0.066 0.000 2.649 222 G HA2 0.353 4.313 3.960 -0.000 0.000 0.199 222 G HA3 0.353 4.313 3.960 -0.000 0.000 0.199 222 G C 0.141 175.285 174.900 0.406 0.000 1.085 222 G CA -0.327 44.899 45.100 0.210 0.000 0.804 222 G HN 0.224 nan 8.290 nan 0.000 0.671 223 F N 3.281 123.347 119.950 0.194 0.000 2.628 223 F HA 0.242 4.769 4.527 -0.000 0.000 0.362 223 F C 1.688 177.597 175.800 0.181 0.000 1.148 223 F CA -0.954 57.152 58.000 0.177 0.000 1.352 223 F CB 0.388 39.520 39.000 0.221 0.000 1.081 223 F HN 0.109 nan 8.300 nan 0.000 0.605 224 S N 0.666 116.489 115.700 0.205 0.000 2.572 224 S HA 0.045 4.515 4.470 -0.000 0.000 0.267 224 S C 1.214 175.865 174.600 0.086 0.000 1.361 224 S CA -0.211 58.052 58.200 0.105 0.000 1.009 224 S CB 0.593 63.805 63.200 0.020 0.000 0.888 224 S HN 0.689 nan 8.310 nan 0.000 0.553 225 S N 1.567 117.278 115.700 0.018 0.000 2.447 225 S HA -0.163 4.307 4.470 -0.000 0.000 0.233 225 S C 1.200 175.781 174.600 -0.033 0.000 1.006 225 S CA 1.068 59.240 58.200 -0.046 0.000 0.957 225 S CB -0.957 62.212 63.200 -0.052 0.000 0.773 225 S HN 0.814 nan 8.310 nan 0.000 0.507 226 N N 1.994 120.689 118.700 -0.009 0.000 2.216 226 N HA 0.040 4.780 4.740 -0.000 0.000 0.183 226 N C 1.769 177.282 175.510 0.004 0.000 1.017 226 N CA 1.310 54.355 53.050 -0.010 0.000 0.861 226 N CB -0.413 38.068 38.487 -0.011 0.000 0.986 226 N HN 0.334 nan 8.380 nan 0.000 0.428 227 S N 0.430 116.154 115.700 0.041 0.000 2.387 227 S HA 0.001 4.471 4.470 -0.000 0.000 0.226 227 S C 1.705 176.353 174.600 0.079 0.000 1.026 227 S CA 0.360 58.620 58.200 0.100 0.000 0.972 227 S CB -0.248 63.093 63.200 0.236 0.000 0.814 227 S HN 0.183 nan 8.310 nan 0.000 0.477 228 L N 2.547 123.793 121.223 0.038 0.000 1.994 228 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 228 L C 2.388 179.215 176.870 -0.071 0.000 1.071 228 L CA 1.737 56.548 54.840 -0.049 0.000 0.745 228 L CB -0.765 41.166 42.059 -0.212 0.000 0.892 228 L HN 0.182 nan 8.230 nan 0.000 0.431 229 R N -0.413 120.048 120.500 -0.064 0.000 2.097 229 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 229 R C 1.934 178.201 176.300 -0.054 0.000 1.135 229 R CA 2.256 58.322 56.100 -0.056 0.000 0.934 229 R CB -0.667 29.607 30.300 -0.043 0.000 0.846 229 R HN 0.422 nan 8.270 nan 0.000 0.431 230 D N 0.094 120.464 120.400 -0.050 0.000 2.123 230 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 230 D C 2.165 178.375 176.300 -0.149 0.000 0.992 230 D CA 1.323 55.287 54.000 -0.061 0.000 0.833 230 D CB -0.270 40.508 40.800 -0.036 0.000 0.954 230 D HN 0.349 nan 8.370 nan 0.000 0.455 231 R N 0.086 120.444 120.500 -0.237 0.000 2.096 231 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 231 R C 2.564 178.681 176.300 -0.305 0.000 1.127 231 R CA 0.660 56.442 56.100 -0.530 0.000 0.968 231 R CB -0.159 29.889 30.300 -0.419 0.000 0.861 231 R HN 0.265 nan 8.270 nan 0.000 0.440 232 I N 0.520 121.012 120.570 -0.129 0.000 2.286 232 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 232 I C 1.661 177.778 176.117 0.000 0.000 1.104 232 I CA 1.318 62.591 61.300 -0.045 0.000 1.397 232 I CB -0.409 37.572 38.000 -0.033 0.000 1.072 232 I HN 0.240 nan 8.210 nan 0.000 0.417 233 N N 0.725 119.421 118.700 -0.006 0.000 2.084 233 N HA -0.249 4.491 4.740 -0.000 0.000 0.190 233 N C 1.487 177.058 175.510 0.102 0.000 1.030 233 N CA 1.651 54.724 53.050 0.038 0.000 0.849 233 N CB -0.108 38.392 38.487 0.021 0.000 1.012 233 N HN 0.287 nan 8.380 nan 0.000 0.423 234 D N -0.235 120.227 120.400 0.104 0.000 2.178 234 D HA -0.048 4.592 4.640 -0.000 0.000 0.202 234 D C 1.947 178.541 176.300 0.490 0.000 0.974 234 D CA 0.984 55.148 54.000 0.274 0.000 0.841 234 D CB -0.233 40.745 40.800 0.298 0.000 0.953 234 D HN 0.271 nan 8.370 nan 0.000 0.478 235 G N -0.987 107.992 108.800 0.298 0.000 2.534 235 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 235 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 235 G C 0.580 175.594 174.900 0.191 0.000 1.128 235 G CA 0.779 45.981 45.100 0.170 0.000 0.784 235 G HN 0.329 nan 8.290 nan 0.000 0.542 236 D N -0.960 119.577 120.400 0.228 0.000 3.099 236 D HA -0.146 4.494 4.640 -0.000 0.000 0.213 236 D C 0.069 176.433 176.300 0.107 0.000 1.121 236 D CA 0.736 54.855 54.000 0.197 0.000 0.951 236 D CB -1.431 39.557 40.800 0.313 0.000 1.102 236 D HN 0.290 nan 8.370 nan 0.000 0.423 237 S N 0.428 116.167 115.700 0.066 0.000 2.457 237 S HA 0.058 4.528 4.470 -0.000 0.000 0.294 237 S C 1.427 176.051 174.600 0.039 0.000 1.201 237 S CA 0.035 58.259 58.200 0.041 0.000 1.112 237 S CB 1.036 64.254 63.200 0.029 0.000 1.018 237 S HN 0.179 nan 8.310 nan 0.000 0.511 238 K N 1.496 121.922 120.400 0.043 0.000 2.418 238 K HA 0.054 4.374 4.320 -0.000 0.000 0.195 238 K C 0.640 177.265 176.600 0.041 0.000 1.035 238 K CA 0.362 56.670 56.287 0.036 0.000 1.003 238 K CB -0.006 32.518 32.500 0.040 0.000 0.793 238 K HN 0.579 nan 8.250 nan 0.000 0.494 239 V N -2.825 117.120 119.914 0.053 0.000 3.102 239 V HA 0.665 4.785 4.120 -0.000 0.000 0.312 239 V C -0.370 175.762 176.094 0.064 0.000 1.135 239 V CA -1.093 61.251 62.300 0.074 0.000 1.022 239 V CB 2.130 34.007 31.823 0.090 0.000 1.056 239 V HN -0.266 nan 8.190 nan 0.000 0.436 240 V N 1.669 121.630 119.914 0.079 0.000 3.130 240 V HA 0.692 4.811 4.120 -0.000 0.000 0.310 240 V C -1.131 175.030 176.094 0.112 0.000 1.158 240 V CA -0.535 61.813 62.300 0.079 0.000 1.029 240 V CB 2.233 34.088 31.823 0.053 0.000 1.057 240 V HN 0.843 nan 8.190 nan 0.000 0.436 241 I N 1.438 122.084 120.570 0.127 0.000 2.548 241 I HA 0.701 4.870 4.170 -0.000 0.000 0.287 241 I C -0.298 175.921 176.117 0.170 0.000 1.103 241 I CA -0.013 61.386 61.300 0.165 0.000 1.049 241 I CB 1.571 39.668 38.000 0.161 0.000 1.232 241 I HN 0.738 nan 8.210 nan 0.000 0.429 242 T N 2.941 117.606 114.554 0.186 0.000 2.626 242 T HA 0.656 5.006 4.350 -0.000 0.000 0.299 242 T C -0.061 174.723 174.700 0.139 0.000 1.181 242 T CA -0.511 61.697 62.100 0.180 0.000 1.053 242 T CB 2.386 71.402 68.868 0.247 0.000 1.566 242 T HN 0.696 nan 8.240 nan 0.000 0.486 243 T N -1.346 113.266 114.554 0.097 0.000 2.883 243 T HA 0.536 4.886 4.350 -0.000 0.000 0.284 243 T C 0.288 174.998 174.700 0.017 0.000 1.041 243 T CA -0.504 61.597 62.100 0.002 0.000 1.007 243 T CB 1.169 69.999 68.868 -0.063 0.000 1.220 243 T HN 0.578 nan 8.240 nan 0.000 0.552 244 D N -0.531 119.837 120.400 -0.053 0.000 2.162 244 D HA 0.140 4.780 4.640 -0.000 0.000 0.205 244 D C 0.399 176.698 176.300 -0.001 0.000 0.964 244 D CA 0.735 54.729 54.000 -0.010 0.000 0.847 244 D CB 0.068 40.837 40.800 -0.051 0.000 0.988 244 D HN 0.785 nan 8.370 nan 0.000 0.480 245 E N -1.448 118.728 120.200 -0.039 0.000 2.430 245 E HA 0.591 4.941 4.350 -0.000 0.000 0.279 245 E C -1.443 175.132 176.600 -0.042 0.000 1.003 245 E CA -0.890 55.497 56.400 -0.023 0.000 0.801 245 E CB 2.276 31.961 29.700 -0.025 0.000 1.313 245 E HN -0.176 nan 8.360 nan 0.000 0.459 246 S N 1.151 116.832 115.700 -0.033 0.000 2.733 246 S HA 0.280 4.750 4.470 -0.000 0.000 0.294 246 S C -0.949 173.623 174.600 -0.047 0.000 1.149 246 S CA -0.680 57.494 58.200 -0.043 0.000 1.034 246 S CB 0.793 63.960 63.200 -0.055 0.000 1.015 246 S HN 0.470 nan 8.310 nan 0.000 0.486 247 N N 2.904 121.578 118.700 -0.043 0.000 2.402 247 N HA 0.168 4.908 4.740 -0.000 0.000 0.252 247 N C -0.539 174.912 175.510 -0.097 0.000 1.118 247 N CA -0.059 52.953 53.050 -0.063 0.000 0.945 247 N CB 0.308 38.775 38.487 -0.034 0.000 1.147 247 N HN 0.303 nan 8.380 nan 0.000 0.495 248 R N 2.338 122.757 120.500 -0.136 0.000 2.445 248 R HA 0.371 4.711 4.340 -0.000 0.000 0.308 248 R C 0.656 176.794 176.300 -0.270 0.000 0.961 248 R CA -0.302 55.697 56.100 -0.169 0.000 0.862 248 R CB 1.150 31.377 30.300 -0.121 0.000 1.144 248 R HN 0.823 nan 8.270 nan 0.000 0.447 249 G N 1.314 109.920 108.800 -0.323 0.000 2.280 249 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.282 249 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.282 249 G C 0.766 174.980 174.900 -1.143 0.000 1.000 249 G CA 1.328 46.130 45.100 -0.496 0.000 0.751 249 G HN 1.187 nan 8.290 nan 0.000 0.515 250 G N -1.885 106.275 108.800 -1.066 0.000 2.134 250 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.209 250 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.209 250 G C -0.030 174.657 174.900 -0.355 0.000 0.993 250 G CA 0.640 45.203 45.100 -0.897 0.000 0.669 250 G HN 1.070 nan 8.290 nan 0.000 0.519 251 K N 0.660 120.899 120.400 -0.269 0.000 2.545 251 K HA 0.564 4.884 4.320 -0.000 0.000 0.252 251 K C 0.509 177.047 176.600 -0.103 0.000 0.948 251 K CA -0.616 55.584 56.287 -0.146 0.000 0.827 251 K CB 2.962 35.386 32.500 -0.127 0.000 1.128 251 K HN 0.639 nan 8.250 nan 0.000 0.429 252 V N 1.427 121.301 119.914 -0.067 0.000 2.843 252 V HA 0.411 4.531 4.120 -0.000 0.000 0.305 252 V C -0.077 175.997 176.094 -0.033 0.000 1.065 252 V CA -0.073 62.200 62.300 -0.045 0.000 1.116 252 V CB 0.201 32.007 31.823 -0.029 0.000 0.968 252 V HN 0.627 nan 8.190 nan 0.000 0.487 253 I N 2.964 123.521 120.570 -0.022 0.000 2.478 253 I HA 0.395 4.565 4.170 -0.000 0.000 0.287 253 I C -0.095 176.035 176.117 0.023 0.000 1.042 253 I CA -0.439 60.861 61.300 -0.001 0.000 1.067 253 I CB 1.883 39.879 38.000 -0.005 0.000 1.233 253 I HN 0.706 nan 8.210 nan 0.000 0.431 254 E N 4.492 124.715 120.200 0.039 0.000 2.159 254 E HA 0.052 4.402 4.350 -0.000 0.000 0.272 254 E C 0.788 177.453 176.600 0.108 0.000 1.138 254 E CA -0.003 56.431 56.400 0.056 0.000 0.915 254 E CB 0.995 30.723 29.700 0.046 0.000 1.028 254 E HN 0.743 nan 8.360 nan 0.000 0.423 255 T N 0.518 115.153 114.554 0.135 0.000 3.004 255 T HA -0.076 4.274 4.350 -0.000 0.000 0.243 255 T C 1.794 176.611 174.700 0.194 0.000 1.020 255 T CA 0.087 62.354 62.100 0.278 0.000 1.145 255 T CB 0.039 69.080 68.868 0.288 0.000 0.876 255 T HN 0.152 nan 8.240 nan 0.000 0.449 256 K N 1.624 122.103 120.400 0.131 0.000 2.103 256 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 256 K C 2.455 179.094 176.600 0.066 0.000 1.048 256 K CA 1.513 57.861 56.287 0.102 0.000 0.930 256 K CB -0.474 32.091 32.500 0.109 0.000 0.716 256 K HN 0.383 nan 8.250 nan 0.000 0.444 257 R N 0.671 121.209 120.500 0.064 0.000 2.070 257 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 257 R C 2.156 178.464 176.300 0.014 0.000 1.138 257 R CA 2.030 58.154 56.100 0.040 0.000 0.936 257 R CB -0.722 29.603 30.300 0.043 0.000 0.839 257 R HN 0.309 nan 8.270 nan 0.000 0.429 258 I N 0.473 121.059 120.570 0.027 0.000 2.315 258 I HA -0.288 3.882 4.170 -0.000 0.000 0.251 258 I C 2.030 178.071 176.117 -0.127 0.000 1.125 258 I CA 1.312 62.598 61.300 -0.024 0.000 1.392 258 I CB -0.273 37.751 38.000 0.041 0.000 1.065 258 I HN 0.097 nan 8.210 nan 0.000 0.424 259 V N 0.624 120.462 119.914 -0.126 0.000 2.307 259 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 259 V C 2.084 178.119 176.094 -0.099 0.000 1.045 259 V CA 1.931 64.135 62.300 -0.159 0.000 1.024 259 V CB -0.686 31.093 31.823 -0.074 0.000 0.651 259 V HN 0.398 nan 8.190 nan 0.000 0.449 260 D N 0.118 120.482 120.400 -0.060 0.000 2.117 260 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 260 D C 1.906 178.163 176.300 -0.072 0.000 0.987 260 D CA 1.417 55.376 54.000 -0.068 0.000 0.829 260 D CB -0.344 40.419 40.800 -0.060 0.000 0.961 260 D HN 0.423 nan 8.370 nan 0.000 0.460 261 D N 0.938 121.302 120.400 -0.059 0.000 2.123 261 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 261 D C 2.056 178.320 176.300 -0.060 0.000 0.992 261 D CA 1.172 55.140 54.000 -0.052 0.000 0.833 261 D CB -0.164 40.613 40.800 -0.038 0.000 0.954 261 D HN 0.133 nan 8.370 nan 0.000 0.455 262 A N 0.941 123.715 122.820 -0.077 0.000 1.902 262 A HA -0.091 4.228 4.320 -0.000 0.000 0.217 262 A C 2.292 179.834 177.584 -0.071 0.000 1.181 262 A CA 0.748 52.737 52.037 -0.081 0.000 0.623 262 A CB -0.767 18.162 19.000 -0.120 0.000 0.818 262 A HN 0.217 nan 8.150 nan 0.000 0.443 263 L N -0.708 120.470 121.223 -0.076 0.000 2.633 263 L HA -0.051 4.289 4.340 -0.000 0.000 0.235 263 L C 2.132 178.965 176.870 -0.062 0.000 1.163 263 L CA 0.313 55.114 54.840 -0.067 0.000 0.859 263 L CB -0.370 41.647 42.059 -0.070 0.000 0.973 263 L HN 0.376 nan 8.230 nan 0.000 0.451 264 R N 0.061 120.525 120.500 -0.060 0.000 2.307 264 R HA -0.029 4.311 4.340 -0.000 0.000 0.199 264 R C 0.835 177.110 176.300 -0.042 0.000 1.000 264 R CA 0.580 56.647 56.100 -0.054 0.000 1.023 264 R CB 0.110 30.379 30.300 -0.051 0.000 0.908 264 R HN 0.455 nan 8.270 nan 0.000 0.473 265 E N -0.643 119.534 120.200 -0.039 0.000 2.715 265 E HA 0.078 4.428 4.350 -0.000 0.000 0.224 265 E C -0.603 175.981 176.600 -0.026 0.000 0.962 265 E CA 0.021 56.404 56.400 -0.029 0.000 1.145 265 E CB 1.582 31.267 29.700 -0.026 0.000 1.083 265 E HN -0.028 nan 8.360 nan 0.000 0.506 266 T N 2.824 117.359 114.554 -0.031 0.000 3.029 266 T HA 0.168 4.518 4.350 -0.000 0.000 0.346 266 T C -2.020 172.666 174.700 -0.023 0.000 1.211 266 T CA -1.410 60.676 62.100 -0.024 0.000 1.009 266 T CB 1.186 70.036 68.868 -0.029 0.000 1.084 266 T HN -0.079 nan 8.240 nan 0.000 0.536 267 P HA -0.039 nan 4.420 nan 0.000 0.216 267 P C 1.636 178.928 177.300 -0.014 0.000 1.150 267 P CA 0.654 63.745 63.100 -0.015 0.000 0.837 267 P CB 0.124 31.820 31.700 -0.007 0.000 0.786 268 G N -1.116 107.681 108.800 -0.004 0.000 2.985 268 G HA2 0.056 4.016 3.960 -0.000 0.000 0.209 268 G HA3 0.056 4.016 3.960 -0.000 0.000 0.209 268 G C 0.192 175.088 174.900 -0.007 0.000 1.165 268 G CA -0.068 45.032 45.100 0.000 0.000 0.776 268 G HN 0.148 nan 8.290 nan 0.000 0.541 269 V N 1.487 121.390 119.914 -0.019 0.000 2.397 269 V HA 0.135 4.255 4.120 -0.000 0.000 0.262 269 V C 1.610 177.669 176.094 -0.059 0.000 1.047 269 V CA -0.061 62.224 62.300 -0.024 0.000 1.003 269 V CB 0.878 32.685 31.823 -0.026 0.000 1.037 269 V HN 0.469 nan 8.190 nan 0.000 0.480 270 R N 3.745 124.205 120.500 -0.068 0.000 2.066 270 R HA 0.067 4.407 4.340 -0.000 0.000 0.224 270 R C 0.465 176.552 176.300 -0.356 0.000 1.122 270 R CA 0.733 56.724 56.100 -0.182 0.000 0.974 270 R CB 0.286 30.516 30.300 -0.117 0.000 0.871 270 R HN 0.738 nan 8.270 nan 0.000 0.435 271 H N -1.280 117.788 119.070 -0.003 0.000 2.907 271 H HA 0.465 5.021 4.556 -0.000 0.000 0.361 271 H C -1.342 173.988 175.328 0.003 0.000 1.194 271 H CA -0.744 55.302 56.048 -0.003 0.000 1.152 271 H CB 2.439 32.209 29.762 0.012 0.000 1.867 271 H HN -0.105 nan 8.280 nan 0.000 0.561 272 V N 2.729 122.747 119.914 0.174 0.000 2.577 272 V HA 0.086 4.206 4.120 -0.000 0.000 0.294 272 V C -0.719 175.466 176.094 0.152 0.000 1.052 272 V CA -0.610 61.760 62.300 0.117 0.000 0.891 272 V CB 2.248 34.103 31.823 0.054 0.000 1.017 272 V HN 0.370 nan 8.190 nan 0.000 0.436 273 L N 6.688 128.017 121.223 0.177 0.000 2.276 273 L HA 0.705 5.045 4.340 -0.000 0.000 0.286 273 L C -0.426 176.622 176.870 0.297 0.000 1.061 273 L CA 0.271 55.253 54.840 0.238 0.000 0.807 273 L CB 1.470 43.664 42.059 0.225 0.000 1.177 273 L HN 0.464 nan 8.230 nan 0.000 0.429 274 V N 5.972 126.099 119.914 0.356 0.000 2.409 274 V HA 0.237 4.357 4.120 -0.000 0.000 0.291 274 V C -1.046 175.245 176.094 0.329 0.000 1.020 274 V CA -0.669 61.822 62.300 0.319 0.000 0.848 274 V CB 1.169 33.201 31.823 0.349 0.000 0.990 274 V HN 0.623 nan 8.190 nan 0.000 0.430 275 Y N 5.938 126.287 120.300 0.083 0.000 2.518 275 Y HA 0.507 5.057 4.550 -0.000 0.000 0.344 275 Y C 0.718 176.540 175.900 -0.129 0.000 0.982 275 Y CA -1.305 56.721 58.100 -0.124 0.000 1.234 275 Y CB 0.470 38.521 38.460 -0.682 0.000 1.114 275 Y HN 0.622 nan 8.280 nan 0.000 0.515 276 R N 5.733 125.974 120.500 -0.431 0.000 2.457 276 R HA 0.020 4.360 4.340 -0.000 0.000 0.335 276 R C 1.091 176.884 176.300 -0.846 0.000 1.003 276 R CA 0.058 55.878 56.100 -0.467 0.000 1.003 276 R CB 0.561 30.717 30.300 -0.240 0.000 0.950 276 R HN 0.732 nan 8.270 nan 0.000 0.428 277 K N 1.737 121.677 120.400 -0.767 0.000 2.242 277 K HA -0.054 4.266 4.320 -0.000 0.000 0.200 277 K C 1.189 177.627 176.600 -0.270 0.000 1.050 277 K CA 1.362 57.263 56.287 -0.644 0.000 0.981 277 K CB 0.549 32.787 32.500 -0.438 0.000 0.795 277 K HN 0.641 nan 8.250 nan 0.000 0.477 278 T N -2.833 111.601 114.554 -0.200 0.000 2.969 278 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 278 T C 0.263 174.910 174.700 -0.089 0.000 1.021 278 T CA 0.238 62.274 62.100 -0.106 0.000 1.003 278 T CB 0.042 68.867 68.868 -0.072 0.000 1.040 278 T HN 0.265 nan 8.240 nan 0.000 0.492 279 N N 2.618 121.252 118.700 -0.110 0.000 3.038 279 N HA -0.136 4.604 4.740 -0.000 0.000 0.247 279 N C -0.484 174.987 175.510 -0.064 0.000 1.106 279 N CA 0.623 53.621 53.050 -0.086 0.000 0.672 279 N CB -2.122 36.327 38.487 -0.063 0.000 1.022 279 N HN 0.827 nan 8.380 nan 0.000 0.565 280 N N -0.847 117.813 118.700 -0.066 0.000 1.833 280 N HA -0.154 4.586 4.740 -0.000 0.000 0.328 280 N C -2.333 173.162 175.510 -0.026 0.000 1.194 280 N CA 0.386 53.413 53.050 -0.040 0.000 0.813 280 N CB 0.144 38.612 38.487 -0.030 0.000 1.017 280 N HN 0.312 nan 8.380 nan 0.000 0.499 281 P HA 0.190 nan 4.420 nan 0.000 0.209 281 P C -0.524 176.779 177.300 0.004 0.000 1.843 281 P CA -0.260 62.837 63.100 -0.005 0.000 0.985 281 P CB 0.183 31.882 31.700 -0.001 0.000 1.904 282 S N -0.152 115.549 115.700 0.001 0.000 3.797 282 S HA -0.097 4.373 4.470 -0.000 0.000 0.374 282 S C 0.215 174.835 174.600 0.034 0.000 0.970 282 S CA -0.045 58.162 58.200 0.012 0.000 1.177 282 S CB -1.458 61.750 63.200 0.012 0.000 0.891 282 S HN 0.080 nan 8.310 nan 0.000 0.491 283 V N 2.450 122.387 119.914 0.039 0.000 2.649 283 V HA 0.687 4.807 4.120 -0.000 0.000 0.292 283 V C 1.257 177.426 176.094 0.126 0.000 1.055 283 V CA -0.119 62.224 62.300 0.071 0.000 1.023 283 V CB 1.181 33.039 31.823 0.059 0.000 0.992 283 V HN 0.948 nan 8.190 nan 0.000 0.480 284 A N 4.195 127.118 122.820 0.173 0.000 2.536 284 A HA 0.478 4.797 4.320 -0.000 0.000 0.234 284 A C -0.663 177.149 177.584 0.380 0.000 1.076 284 A CA 0.522 52.735 52.037 0.293 0.000 0.769 284 A CB -0.157 19.026 19.000 0.305 0.000 1.020 284 A HN 0.985 nan 8.150 nan 0.000 0.508 285 F N 0.326 120.420 119.950 0.241 0.000 2.770 285 F HA 0.406 4.933 4.527 -0.000 0.000 0.334 285 F C -0.177 175.690 175.800 0.112 0.000 1.116 285 F CA -0.338 57.763 58.000 0.167 0.000 1.152 285 F CB 0.646 39.679 39.000 0.055 0.000 1.418 285 F HN 0.700 nan 8.300 nan 0.000 0.618 286 H N 3.043 121.990 119.070 -0.206 0.000 2.521 286 H HA 0.788 5.344 4.556 -0.000 0.000 0.267 286 H C 0.550 175.826 175.328 -0.086 0.000 0.963 286 H CA 0.923 56.919 56.048 -0.087 0.000 1.175 286 H CB 0.984 30.709 29.762 -0.062 0.000 1.450 286 H HN 0.632 nan 8.280 nan 0.000 0.472 287 A N 0.025 122.816 122.820 -0.049 0.000 3.065 287 A HA 0.390 4.710 4.320 -0.000 0.000 0.293 287 A C -1.783 175.779 177.584 -0.037 0.000 1.213 287 A CA -0.550 51.477 52.037 -0.018 0.000 0.667 287 A CB -0.313 18.690 19.000 0.006 0.000 1.412 287 A HN 0.046 nan 8.150 nan 0.000 0.601 288 P HA -0.052 nan 4.420 nan 0.000 0.239 288 P C 0.987 178.337 177.300 0.083 0.000 1.184 288 P CA 0.512 63.650 63.100 0.063 0.000 0.760 288 P CB 0.082 31.830 31.700 0.080 0.000 0.884 289 R N 0.528 121.005 120.500 -0.038 0.000 2.062 289 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 289 R C 0.414 176.723 176.300 0.014 0.000 1.136 289 R CA 1.003 57.060 56.100 -0.071 0.000 0.948 289 R CB -0.295 29.933 30.300 -0.121 0.000 0.845 289 R HN 0.087 nan 8.270 nan 0.000 0.430 290 D N 0.812 121.075 120.400 -0.229 0.000 2.350 290 D HA 0.220 4.860 4.640 -0.000 0.000 0.249 290 D C -0.553 175.596 176.300 -0.251 0.000 1.119 290 D CA 0.266 53.988 54.000 -0.463 0.000 0.886 290 D CB 1.224 41.204 40.800 -1.367 0.000 1.195 290 D HN 0.139 nan 8.370 nan 0.000 0.437 291 L N 1.599 122.904 121.223 0.136 0.000 2.388 291 L HA 0.310 4.650 4.340 -0.000 0.000 0.264 291 L C -0.245 176.926 176.870 0.502 0.000 0.998 291 L CA -1.084 53.965 54.840 0.348 0.000 0.817 291 L CB 2.272 44.422 42.059 0.153 0.000 1.338 291 L HN 0.183 nan 8.230 nan 0.000 0.414 292 D N 0.498 121.138 120.400 0.400 0.000 2.225 292 D HA 0.054 4.694 4.640 -0.000 0.000 0.248 292 D C 0.544 177.012 176.300 0.279 0.000 1.096 292 D CA -0.338 53.824 54.000 0.271 0.000 0.863 292 D CB 1.345 42.195 40.800 0.083 0.000 1.156 292 D HN 0.490 nan 8.370 nan 0.000 0.450 293 W N 4.826 126.208 121.300 0.137 0.000 2.315 293 W HA -0.296 4.364 4.660 -0.000 0.000 0.323 293 W C 1.241 177.817 176.519 0.094 0.000 1.233 293 W CA 2.111 59.535 57.345 0.132 0.000 1.267 293 W CB -0.657 28.932 29.460 0.216 0.000 1.160 293 W HN 0.553 nan 8.180 nan 0.000 0.474 294 A N 0.632 123.725 122.820 0.456 0.000 1.877 294 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 294 A C 2.012 179.648 177.584 0.087 0.000 1.186 294 A CA 2.764 54.957 52.037 0.261 0.000 0.620 294 A CB -1.405 17.739 19.000 0.240 0.000 0.822 294 A HN 0.334 nan 8.150 nan 0.000 0.443 295 T N 0.209 114.810 114.554 0.079 0.000 2.665 295 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 295 T C 1.844 176.536 174.700 -0.013 0.000 1.035 295 T CA 1.744 63.859 62.100 0.025 0.000 1.151 295 T CB -0.270 68.622 68.868 0.040 0.000 0.862 295 T HN 0.497 nan 8.240 nan 0.000 0.438 296 E N 1.079 121.283 120.200 0.007 0.000 2.072 296 E HA 0.018 4.368 4.350 -0.000 0.000 0.190 296 E C 2.238 178.807 176.600 -0.052 0.000 0.982 296 E CA 0.859 57.253 56.400 -0.011 0.000 0.803 296 E CB -0.312 29.413 29.700 0.042 0.000 0.755 296 E HN 0.444 nan 8.360 nan 0.000 0.453 297 K N 1.120 121.452 120.400 -0.114 0.000 2.020 297 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 297 K C 1.984 178.528 176.600 -0.093 0.000 1.050 297 K CA 1.558 57.761 56.287 -0.139 0.000 0.929 297 K CB -0.122 32.205 32.500 -0.288 0.000 0.714 297 K HN -0.007 nan 8.250 nan 0.000 0.443 298 K N 0.747 121.088 120.400 -0.099 0.000 2.442 298 K HA -0.173 4.147 4.320 -0.000 0.000 0.200 298 K C 1.644 178.134 176.600 -0.183 0.000 1.045 298 K CA 1.151 57.377 56.287 -0.102 0.000 0.937 298 K CB 0.008 32.464 32.500 -0.072 0.000 0.757 298 K HN 0.187 nan 8.250 nan 0.000 0.474 299 K N -0.135 120.061 120.400 -0.341 0.000 2.243 299 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 299 K C 0.147 176.323 176.600 -0.708 0.000 1.051 299 K CA 0.697 56.627 56.287 -0.594 0.000 0.970 299 K CB 0.143 32.130 32.500 -0.856 0.000 0.755 299 K HN 0.075 nan 8.250 nan 0.000 0.465 300 Y N 2.317 122.556 120.300 -0.101 0.000 2.419 300 Y HA 0.145 4.695 4.550 -0.000 0.000 0.328 300 Y C 0.628 176.487 175.900 -0.068 0.000 1.162 300 Y CA -1.602 56.436 58.100 -0.103 0.000 1.174 300 Y CB 0.640 39.017 38.460 -0.139 0.000 1.228 300 Y HN -0.089 nan 8.280 nan 0.000 0.473 301 K N -1.101 119.372 120.400 0.122 0.000 2.188 301 K HA 0.101 4.421 4.320 -0.000 0.000 0.246 301 K C 0.474 177.135 176.600 0.102 0.000 1.026 301 K CA 0.345 56.689 56.287 0.096 0.000 0.871 301 K CB 0.142 32.716 32.500 0.123 0.000 1.042 301 K HN 0.786 nan 8.250 nan 0.000 0.509 302 T N -3.159 111.462 114.554 0.111 0.000 3.065 302 T HA -0.023 4.327 4.350 -0.000 0.000 0.252 302 T C -0.039 174.764 174.700 0.172 0.000 1.099 302 T CA 0.159 62.326 62.100 0.111 0.000 1.063 302 T CB -0.286 68.638 68.868 0.094 0.000 0.948 302 T HN 0.570 nan 8.240 nan 0.000 0.506 303 Y N 1.100 121.461 120.300 0.101 0.000 2.393 303 Y HA 0.594 5.144 4.550 -0.000 0.000 0.341 303 Y C -1.579 174.450 175.900 0.215 0.000 0.988 303 Y CA -2.643 55.532 58.100 0.124 0.000 1.078 303 Y CB 1.310 39.825 38.460 0.092 0.000 1.203 303 Y HN 0.159 nan 8.280 nan 0.000 0.453 304 Y N 8.212 127.941 120.300 -0.952 0.000 2.433 304 Y HA 0.503 5.053 4.550 -0.000 0.000 0.337 304 Y C -2.786 172.634 175.900 -0.800 0.000 1.026 304 Y CA -3.011 54.704 58.100 -0.641 0.000 1.037 304 Y CB 1.993 40.277 38.460 -0.293 0.000 1.245 304 Y HN 0.511 nan 8.280 nan 0.000 0.443 305 P HA 0.116 nan 4.420 nan 0.000 0.268 305 P C -0.222 176.796 177.300 -0.470 0.000 1.205 305 P CA 0.211 62.999 63.100 -0.520 0.000 0.771 305 P CB 0.833 32.341 31.700 -0.320 0.000 0.858 306 C N 1.974 121.156 119.300 -0.195 0.000 2.563 306 C HA 0.319 4.779 4.460 -0.000 0.000 0.358 306 C C 1.022 175.934 174.990 -0.130 0.000 1.336 306 C CA 0.206 59.156 59.018 -0.112 0.000 2.454 306 C CB -0.099 27.657 27.740 0.027 0.000 2.448 306 C HN 0.527 nan 8.230 nan 0.000 0.670 307 T N 3.100 117.605 114.554 -0.083 0.000 2.788 307 T HA 0.338 4.688 4.350 -0.000 0.000 0.296 307 T C -2.559 172.116 174.700 -0.041 0.000 1.009 307 T CA -0.476 61.582 62.100 -0.071 0.000 0.949 307 T CB 0.972 69.805 68.868 -0.058 0.000 0.946 307 T HN 0.458 nan 8.240 nan 0.000 0.453 308 P HA 0.295 nan 4.420 nan 0.000 0.268 308 P C -0.679 176.617 177.300 -0.006 0.000 1.205 308 P CA -0.390 62.694 63.100 -0.028 0.000 0.771 308 P CB 0.597 32.282 31.700 -0.026 0.000 0.858 309 V N -0.679 119.240 119.914 0.008 0.000 3.114 309 V HA 0.538 4.658 4.120 -0.000 0.000 0.308 309 V C -0.560 175.565 176.094 0.051 0.000 1.168 309 V CA -1.052 61.260 62.300 0.020 0.000 1.015 309 V CB 2.227 34.056 31.823 0.009 0.000 1.050 309 V HN 0.399 nan 8.190 nan 0.000 0.433 310 D N 1.504 121.942 120.400 0.063 0.000 2.372 310 D HA 0.098 4.738 4.640 -0.000 0.000 0.243 310 D C 1.487 177.864 176.300 0.128 0.000 1.121 310 D CA 0.948 55.013 54.000 0.107 0.000 0.898 310 D CB 2.147 43.000 40.800 0.088 0.000 1.202 310 D HN 0.930 nan 8.370 nan 0.000 0.428 311 S N 2.867 118.703 115.700 0.225 0.000 2.389 311 S HA -0.234 4.236 4.470 -0.000 0.000 0.231 311 S C 1.169 175.883 174.600 0.189 0.000 1.052 311 S CA 1.367 59.740 58.200 0.288 0.000 1.053 311 S CB -0.086 63.423 63.200 0.516 0.000 0.886 311 S HN 0.540 nan 8.310 nan 0.000 0.456 312 E N 1.382 121.667 120.200 0.142 0.000 2.476 312 E HA 0.193 4.543 4.350 -0.000 0.000 0.191 312 E C -0.489 176.122 176.600 0.017 0.000 1.064 312 E CA -0.013 56.431 56.400 0.072 0.000 0.866 312 E CB -0.283 29.451 29.700 0.056 0.000 0.952 312 E HN 0.573 nan 8.360 nan 0.000 0.492 313 D N 2.240 122.653 120.400 0.021 0.000 2.350 313 D HA 0.097 4.737 4.640 -0.000 0.000 0.249 313 D C -2.231 174.040 176.300 -0.049 0.000 1.119 313 D CA -1.833 52.162 54.000 -0.008 0.000 0.886 313 D CB 0.973 41.776 40.800 0.005 0.000 1.195 313 D HN -0.044 nan 8.370 nan 0.000 0.437 314 P HA -0.101 nan 4.420 nan 0.000 0.262 314 P C 0.593 177.790 177.300 -0.171 0.000 1.182 314 P CA -0.214 62.796 63.100 -0.151 0.000 0.761 314 P CB 0.935 32.560 31.700 -0.124 0.000 0.795 315 L N 5.370 126.438 121.223 -0.259 0.000 2.130 315 L HA 0.221 4.561 4.340 -0.000 0.000 0.200 315 L C 0.653 177.383 176.870 -0.234 0.000 1.075 315 L CA 1.575 56.295 54.840 -0.199 0.000 0.768 315 L CB -0.486 41.463 42.059 -0.184 0.000 0.933 315 L HN 0.507 nan 8.230 nan 0.000 0.451 316 F N -2.806 116.920 119.950 -0.373 0.000 2.985 316 F HA 0.665 5.192 4.527 -0.000 0.000 0.322 316 F C -1.581 174.081 175.800 -0.231 0.000 1.187 316 F CA -1.594 56.167 58.000 -0.398 0.000 0.910 316 F CB 0.554 39.228 39.000 -0.544 0.000 1.411 316 F HN -0.267 nan 8.300 nan 0.000 0.492 317 L N 1.822 123.115 121.223 0.117 0.000 2.388 317 L HA 0.766 5.106 4.340 -0.000 0.000 0.264 317 L C -1.663 175.376 176.870 0.281 0.000 0.998 317 L CA -0.700 54.119 54.840 -0.035 0.000 0.817 317 L CB 1.978 43.878 42.059 -0.265 0.000 1.338 317 L HN 0.748 nan 8.230 nan 0.000 0.414 318 L N 3.215 124.523 121.223 0.141 0.000 2.518 318 L HA 0.442 4.782 4.340 -0.000 0.000 0.262 318 L C -1.506 175.408 176.870 0.073 0.000 0.982 318 L CA -0.213 54.740 54.840 0.188 0.000 0.873 318 L CB 0.877 43.051 42.059 0.193 0.000 1.198 318 L HN 0.388 nan 8.230 nan 0.000 0.427 319 Y N 3.294 123.683 120.300 0.149 0.000 2.697 319 Y HA 0.205 4.754 4.550 -0.000 0.000 0.349 319 Y C 1.046 177.065 175.900 0.198 0.000 1.120 319 Y CA 0.552 58.753 58.100 0.168 0.000 1.468 319 Y CB 0.278 38.838 38.460 0.167 0.000 1.182 319 Y HN 0.525 nan 8.280 nan 0.000 0.525 320 T N 2.848 117.565 114.554 0.273 0.000 2.814 320 T HA 0.138 4.488 4.350 -0.000 0.000 0.297 320 T C 0.279 175.150 174.700 0.285 0.000 0.956 320 T CA -0.485 61.774 62.100 0.264 0.000 1.123 320 T CB 0.343 69.343 68.868 0.220 0.000 0.902 320 T HN 0.544 nan 8.240 nan 0.000 0.528 321 S N 2.600 118.473 115.700 0.288 0.000 2.514 321 S HA 0.400 4.870 4.470 -0.000 0.000 0.179 321 S C 1.263 175.943 174.600 0.133 0.000 1.409 321 S CA -0.952 57.393 58.200 0.242 0.000 1.138 321 S CB 0.724 64.136 63.200 0.353 0.000 1.217 321 S HN 0.890 nan 8.310 nan 0.000 0.493 322 G N 2.163 111.034 108.800 0.119 0.000 2.543 322 G HA2 0.226 4.186 3.960 -0.000 0.000 0.221 322 G HA3 0.226 4.186 3.960 -0.000 0.000 0.221 322 G C 0.638 175.567 174.900 0.049 0.000 1.902 322 G CA 0.112 45.255 45.100 0.071 0.000 0.838 322 G HN 0.621 nan 8.290 nan 0.000 0.650 323 S N -0.498 115.239 115.700 0.063 0.000 2.626 323 S HA 0.388 4.858 4.470 -0.000 0.000 0.257 323 S C 0.515 175.143 174.600 0.046 0.000 1.288 323 S CA 0.411 58.640 58.200 0.048 0.000 0.980 323 S CB 0.786 64.021 63.200 0.057 0.000 0.975 323 S HN 0.521 nan 8.310 nan 0.000 0.577 324 T N -0.509 114.066 114.554 0.034 0.000 2.860 324 T HA 0.532 4.882 4.350 -0.000 0.000 0.299 324 T C 0.446 175.171 174.700 0.043 0.000 1.045 324 T CA 0.833 62.952 62.100 0.031 0.000 1.071 324 T CB -0.586 68.294 68.868 0.020 0.000 0.985 324 T HN 2.073 nan 8.240 nan 0.000 0.537 325 G N 1.164 109.991 108.800 0.045 0.000 2.885 325 G HA2 0.429 4.389 3.960 -0.000 0.000 0.685 325 G HA3 0.429 4.389 3.960 -0.000 0.000 0.685 325 G C -0.122 174.825 174.900 0.078 0.000 1.216 325 G CA -0.373 44.759 45.100 0.054 0.000 0.790 325 G HN 1.371 nan 8.290 nan 0.000 0.631 326 A N 3.287 126.156 122.820 0.081 0.000 2.589 326 A HA 0.421 4.741 4.320 -0.000 0.000 0.259 326 A C -0.766 176.917 177.584 0.165 0.000 1.000 326 A CA 0.950 53.053 52.037 0.110 0.000 0.847 326 A CB -0.592 18.472 19.000 0.106 0.000 0.885 326 A HN 0.892 nan 8.150 nan 0.000 0.508 327 P HA 0.001 nan 4.420 nan 0.000 0.263 327 P C -0.366 177.182 177.300 0.412 0.000 1.168 327 P CA 0.673 63.957 63.100 0.307 0.000 0.759 327 P CB 0.306 32.203 31.700 0.329 0.000 0.782 328 K N 1.793 122.386 120.400 0.321 0.000 2.201 328 K HA 0.426 4.746 4.320 -0.000 0.000 0.278 328 K C 0.848 177.399 176.600 -0.082 0.000 1.027 328 K CA -0.555 55.852 56.287 0.200 0.000 0.909 328 K CB 1.049 33.667 32.500 0.196 0.000 1.062 328 K HN 0.484 nan 8.250 nan 0.000 0.465 329 G N 2.450 111.033 108.800 -0.363 0.000 3.161 329 G HA2 0.206 4.166 3.960 -0.000 0.000 0.293 329 G HA3 0.206 4.166 3.960 -0.000 0.000 0.293 329 G C 0.055 174.758 174.900 -0.329 0.000 0.893 329 G CA -0.538 44.001 45.100 -0.935 0.000 1.756 329 G HN 0.371 nan 8.290 nan 0.000 0.549 330 V N 2.094 121.879 119.914 -0.216 0.000 2.493 330 V HA 0.023 4.143 4.120 -0.000 0.000 0.292 330 V C 0.622 176.527 176.094 -0.315 0.000 1.016 330 V CA 0.078 62.268 62.300 -0.183 0.000 1.097 330 V CB 0.917 32.676 31.823 -0.106 0.000 0.947 330 V HN 0.633 nan 8.190 nan 0.000 0.479 331 Q N 4.801 124.364 119.800 -0.395 0.000 2.290 331 Q HA 0.286 4.626 4.340 -0.000 0.000 0.259 331 Q C -0.948 174.616 176.000 -0.726 0.000 0.941 331 Q CA -0.510 55.014 55.803 -0.466 0.000 0.912 331 Q CB 0.902 29.497 28.738 -0.239 0.000 1.244 331 Q HN 0.798 nan 8.270 nan 0.000 0.441 332 H N 1.066 119.673 119.070 -0.771 0.000 2.533 332 H HA 0.251 4.807 4.556 -0.000 0.000 0.343 332 H C 0.342 175.333 175.328 -0.563 0.000 1.160 332 H CA -0.172 55.424 56.048 -0.753 0.000 1.218 332 H CB 1.934 30.968 29.762 -1.214 0.000 1.566 332 H HN 0.760 nan 8.280 nan 0.000 0.522 333 S N 1.048 116.625 115.700 -0.204 0.000 2.633 333 S HA 0.123 4.593 4.470 -0.000 0.000 0.257 333 S C 0.878 175.425 174.600 -0.088 0.000 1.265 333 S CA -0.162 57.968 58.200 -0.117 0.000 0.980 333 S CB 0.880 64.064 63.200 -0.026 0.000 1.017 333 S HN 0.618 nan 8.310 nan 0.000 0.577 334 T N 0.678 115.220 114.554 -0.020 0.000 3.401 334 T HA 0.355 4.705 4.350 -0.000 0.000 0.225 334 T C 2.242 176.969 174.700 0.045 0.000 0.961 334 T CA 0.512 62.607 62.100 -0.008 0.000 1.429 334 T CB -1.197 67.662 68.868 -0.015 0.000 1.213 334 T HN 0.762 nan 8.240 nan 0.000 0.440 335 A N 1.642 124.506 122.820 0.074 0.000 1.863 335 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 335 A C 2.526 180.242 177.584 0.220 0.000 1.233 335 A CA 2.631 54.735 52.037 0.112 0.000 0.655 335 A CB -1.723 17.498 19.000 0.368 0.000 0.839 335 A HN 0.579 nan 8.150 nan 0.000 0.454 336 G N -1.741 107.247 108.800 0.314 0.000 2.624 336 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.221 336 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.221 336 G C 1.598 176.512 174.900 0.024 0.000 1.169 336 G CA 1.772 46.944 45.100 0.121 0.000 0.771 336 G HN 0.744 nan 8.290 nan 0.000 0.598 337 Y N 0.519 120.775 120.300 -0.073 0.000 2.200 337 Y HA -0.002 4.548 4.550 -0.000 0.000 0.290 337 Y C 2.524 178.338 175.900 -0.144 0.000 1.137 337 Y CA 1.210 59.242 58.100 -0.113 0.000 1.163 337 Y CB -0.225 38.149 38.460 -0.144 0.000 0.988 337 Y HN 0.098 nan 8.280 nan 0.000 0.518 338 L N 0.147 121.304 121.223 -0.109 0.000 2.083 338 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 338 L C 2.450 179.212 176.870 -0.179 0.000 1.083 338 L CA 1.319 56.043 54.840 -0.193 0.000 0.752 338 L CB -1.185 40.819 42.059 -0.092 0.000 0.899 338 L HN 0.403 nan 8.230 nan 0.000 0.433 339 L N -1.015 120.151 121.223 -0.095 0.000 2.093 339 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 339 L C 2.250 179.060 176.870 -0.100 0.000 1.085 339 L CA 1.632 56.440 54.840 -0.053 0.000 0.755 339 L CB -0.923 41.189 42.059 0.088 0.000 0.904 339 L HN 0.405 nan 8.230 nan 0.000 0.435 340 G N -0.658 108.054 108.800 -0.146 0.000 2.418 340 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 340 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 340 G C 1.655 176.368 174.900 -0.311 0.000 1.158 340 G CA 0.748 45.753 45.100 -0.160 0.000 0.771 340 G HN 0.537 nan 8.290 nan 0.000 0.545 341 A N 0.127 122.669 122.820 -0.464 0.000 2.019 341 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 341 A C 2.395 179.827 177.584 -0.255 0.000 1.164 341 A CA 1.121 52.866 52.037 -0.487 0.000 0.644 341 A CB -0.264 18.386 19.000 -0.584 0.000 0.805 341 A HN 0.379 nan 8.150 nan 0.000 0.449 342 L N -1.478 119.635 121.223 -0.184 0.000 2.102 342 L HA -0.065 4.275 4.340 -0.000 0.000 0.202 342 L C 2.354 179.099 176.870 -0.207 0.000 1.076 342 L CA 0.388 55.172 54.840 -0.093 0.000 0.761 342 L CB -0.367 41.647 42.059 -0.075 0.000 0.921 342 L HN 0.270 nan 8.230 nan 0.000 0.444 343 L N -0.159 120.925 121.223 -0.232 0.000 2.012 343 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 343 L C 2.836 179.861 176.870 0.260 0.000 1.073 343 L CA 2.485 57.315 54.840 -0.016 0.000 0.748 343 L CB -1.313 40.982 42.059 0.394 0.000 0.891 343 L HN 0.420 nan 8.230 nan 0.000 0.431 344 T N -4.394 110.176 114.554 0.028 0.000 2.881 344 T HA -0.187 4.163 4.350 -0.000 0.000 0.270 344 T C 1.884 176.577 174.700 -0.010 0.000 1.068 344 T CA 1.004 63.004 62.100 -0.166 0.000 1.131 344 T CB -0.219 68.242 68.868 -0.678 0.000 0.871 344 T HN 0.061 nan 8.240 nan 0.000 0.479 345 M N 1.134 120.718 119.600 -0.026 0.000 2.098 345 M HA 0.152 4.632 4.480 -0.000 0.000 0.262 345 M C 2.570 178.793 176.300 -0.128 0.000 1.072 345 M CA 1.380 56.645 55.300 -0.059 0.000 1.133 345 M CB -0.982 31.439 32.600 -0.298 0.000 1.344 345 M HN 0.293 nan 8.290 nan 0.000 0.414 346 R N -0.705 119.698 120.500 -0.160 0.000 2.081 346 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 346 R C 2.008 178.304 176.300 -0.006 0.000 1.131 346 R CA 1.688 57.719 56.100 -0.115 0.000 0.960 346 R CB -0.122 30.191 30.300 0.022 0.000 0.856 346 R HN 0.362 nan 8.270 nan 0.000 0.436 347 Y N -0.980 119.447 120.300 0.213 0.000 2.230 347 Y HA 0.006 4.556 4.550 -0.000 0.000 0.294 347 Y C 2.608 178.585 175.900 0.128 0.000 1.120 347 Y CA 0.940 59.185 58.100 0.241 0.000 1.129 347 Y CB -0.114 38.597 38.460 0.419 0.000 1.040 347 Y HN 0.062 nan 8.280 nan 0.000 0.519 348 T N 0.395 115.104 114.554 0.258 0.000 2.674 348 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 348 T C 1.115 175.624 174.700 -0.318 0.000 1.039 348 T CA 1.675 63.706 62.100 -0.116 0.000 1.150 348 T CB -0.513 68.144 68.868 -0.352 0.000 0.864 348 T HN 0.138 nan 8.240 nan 0.000 0.427 349 F N 0.730 120.692 119.950 0.020 0.000 2.749 349 F HA 0.282 4.809 4.527 -0.000 0.000 0.300 349 F C 0.791 176.566 175.800 -0.041 0.000 1.103 349 F CA -0.564 57.432 58.000 -0.007 0.000 1.342 349 F CB -0.260 38.801 39.000 0.101 0.000 1.098 349 F HN 0.067 nan 8.300 nan 0.000 0.586 350 D N 1.597 122.049 120.400 0.086 0.000 2.737 350 D HA -0.231 4.408 4.640 -0.000 0.000 0.238 350 D C 0.106 176.274 176.300 -0.221 0.000 1.157 350 D CA 0.877 54.857 54.000 -0.034 0.000 0.694 350 D CB -1.071 39.730 40.800 0.001 0.000 1.021 350 D HN 0.199 nan 8.370 nan 0.000 0.420 351 T N 0.045 114.454 114.554 -0.242 0.000 2.909 351 T HA 0.542 4.892 4.350 -0.000 0.000 0.289 351 T C 0.484 175.029 174.700 -0.259 0.000 1.005 351 T CA -0.035 61.885 62.100 -0.300 0.000 1.084 351 T CB 0.745 69.391 68.868 -0.371 0.000 0.975 351 T HN 0.412 nan 8.240 nan 0.000 0.509 352 H N 0.863 120.076 119.070 0.238 0.000 3.641 352 H HA 0.462 5.018 4.556 -0.000 0.000 0.241 352 H C 1.149 176.729 175.328 0.421 0.000 1.629 352 H CA -0.794 55.473 56.048 0.364 0.000 1.609 352 H CB 0.699 30.576 29.762 0.191 0.000 1.016 352 H HN 0.417 nan 8.280 nan 0.000 0.866 353 Q N 0.053 120.078 119.800 0.374 0.000 2.390 353 Q HA 0.041 4.381 4.340 -0.000 0.000 0.216 353 Q C 0.884 176.982 176.000 0.162 0.000 0.916 353 Q CA 0.561 56.479 55.803 0.192 0.000 0.911 353 Q CB 0.637 29.417 28.738 0.070 0.000 1.035 353 Q HN 0.547 nan 8.270 nan 0.000 0.541 354 E N 1.465 121.761 120.200 0.161 0.000 2.494 354 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 354 E C -0.355 176.332 176.600 0.145 0.000 1.074 354 E CA 0.160 56.635 56.400 0.124 0.000 0.867 354 E CB 0.068 29.817 29.700 0.083 0.000 0.924 354 E HN 0.265 nan 8.360 nan 0.000 0.502 355 D N 0.070 120.585 120.400 0.193 0.000 2.371 355 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 355 D C -0.081 176.313 176.300 0.156 0.000 1.218 355 D CA -0.060 54.047 54.000 0.180 0.000 0.945 355 D CB 1.282 42.209 40.800 0.211 0.000 1.137 355 D HN -0.271 nan 8.370 nan 0.000 0.464 356 V N 2.049 122.042 119.914 0.131 0.000 2.380 356 V HA 0.201 4.321 4.120 -0.000 0.000 0.272 356 V C -0.673 175.497 176.094 0.127 0.000 1.011 356 V CA -0.732 61.637 62.300 0.116 0.000 0.826 356 V CB 0.304 32.173 31.823 0.076 0.000 1.040 356 V HN 0.346 nan 8.190 nan 0.000 0.441 357 F N 5.032 125.005 119.950 0.038 0.000 2.410 357 F HA 0.622 5.149 4.527 -0.000 0.000 0.348 357 F C -0.401 175.484 175.800 0.142 0.000 1.106 357 F CA -0.364 57.651 58.000 0.026 0.000 1.163 357 F CB 1.087 40.050 39.000 -0.062 0.000 1.129 357 F HN 0.452 nan 8.300 nan 0.000 0.516 358 F N 5.026 124.982 119.950 0.009 0.000 2.513 358 F HA 0.381 4.908 4.527 -0.000 0.000 0.358 358 F C -0.870 175.024 175.800 0.158 0.000 1.118 358 F CA -1.066 56.998 58.000 0.106 0.000 1.037 358 F CB 0.733 39.776 39.000 0.071 0.000 1.276 358 F HN 0.252 nan 8.300 nan 0.000 0.446 359 T N 5.811 120.500 114.554 0.226 0.000 2.753 359 T HA 0.554 4.904 4.350 -0.000 0.000 0.297 359 T C 0.278 174.876 174.700 -0.170 0.000 0.981 359 T CA -0.354 61.778 62.100 0.054 0.000 0.956 359 T CB 0.977 70.028 68.868 0.306 0.000 0.936 359 T HN 0.694 nan 8.240 nan 0.000 0.463 360 A N 3.420 125.961 122.820 -0.466 0.000 3.056 360 A HA 0.632 4.952 4.320 -0.000 0.000 0.274 360 A C 0.786 178.412 177.584 0.070 0.000 1.661 360 A CA -0.517 51.380 52.037 -0.233 0.000 1.363 360 A CB -0.601 18.234 19.000 -0.275 0.000 1.139 360 A HN 0.949 nan 8.150 nan 0.000 0.598 361 G N 0.701 109.599 108.800 0.165 0.000 2.760 361 G HA2 0.444 4.404 3.960 -0.000 0.000 0.296 361 G HA3 0.444 4.404 3.960 -0.000 0.000 0.296 361 G C -1.175 173.920 174.900 0.325 0.000 1.427 361 G CA -0.595 44.720 45.100 0.360 0.000 1.109 361 G HN 0.412 nan 8.290 nan 0.000 0.553 362 D N 0.793 121.457 120.400 0.441 0.000 2.390 362 D HA 0.034 4.674 4.640 -0.000 0.000 0.236 362 D C 1.592 177.952 176.300 0.100 0.000 1.189 362 D CA -0.274 53.864 54.000 0.231 0.000 0.887 362 D CB 0.854 41.819 40.800 0.275 0.000 1.198 362 D HN 0.193 nan 8.370 nan 0.000 0.444 363 I N 2.122 122.642 120.570 -0.082 0.000 3.241 363 I HA 0.100 4.270 4.170 -0.000 0.000 0.280 363 I C 1.843 177.854 176.117 -0.177 0.000 1.320 363 I CA 0.830 62.044 61.300 -0.144 0.000 1.413 363 I CB -0.595 37.246 38.000 -0.265 0.000 1.060 363 I HN 0.551 nan 8.210 nan 0.000 0.500 364 G N 0.668 109.144 108.800 -0.540 0.000 2.471 364 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 364 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 364 G C 0.242 174.886 174.900 -0.427 0.000 1.125 364 G CA 0.534 44.864 45.100 -1.283 0.000 0.775 364 G HN 0.491 nan 8.290 nan 0.000 0.548 365 W N -0.492 120.638 121.300 -0.284 0.000 3.029 365 W HA 0.475 5.134 4.660 -0.000 0.000 0.339 365 W C 0.514 176.980 176.519 -0.088 0.000 1.198 365 W CA -2.298 54.992 57.345 -0.092 0.000 1.148 365 W CB -0.194 29.326 29.460 0.101 0.000 1.451 365 W HN 0.033 nan 8.180 nan 0.000 0.564 366 I N 0.401 120.911 120.570 -0.100 0.000 2.290 366 I HA -0.299 3.870 4.170 -0.000 0.000 0.253 366 I C 1.750 177.886 176.117 0.031 0.000 1.112 366 I CA 2.399 63.634 61.300 -0.108 0.000 1.377 366 I CB -2.207 35.768 38.000 -0.041 0.000 1.060 366 I HN 0.430 nan 8.210 nan 0.000 0.428 367 T N 1.208 115.505 114.554 -0.427 0.000 2.652 367 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 367 T C 1.997 176.651 174.700 -0.076 0.000 1.039 367 T CA 2.008 63.944 62.100 -0.274 0.000 1.153 367 T CB -1.100 66.954 68.868 -1.358 0.000 0.863 367 T HN 0.646 nan 8.240 nan 0.000 0.428 368 G N 0.237 108.909 108.800 -0.214 0.000 2.422 368 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 368 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 368 G C 1.289 176.197 174.900 0.014 0.000 1.140 368 G CA 0.454 45.540 45.100 -0.024 0.000 0.775 368 G HN 0.589 nan 8.290 nan 0.000 0.545 369 H N 0.148 119.143 119.070 -0.124 0.000 2.276 369 H HA -0.054 4.502 4.556 -0.000 0.000 0.301 369 H C 2.730 178.078 175.328 0.033 0.000 1.073 369 H CA 1.531 57.517 56.048 -0.104 0.000 1.311 369 H CB 0.009 29.667 29.762 -0.173 0.000 1.379 369 H HN 0.302 nan 8.280 nan 0.000 0.494 370 T N -0.109 114.518 114.554 0.122 0.000 3.023 370 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 370 T C 0.715 174.918 174.700 -0.827 0.000 1.093 370 T CA 0.902 62.795 62.100 -0.345 0.000 1.129 370 T CB -0.033 68.407 68.868 -0.714 0.000 0.899 370 T HN 0.355 nan 8.240 nan 0.000 0.491 371 Y N -1.029 119.270 120.300 -0.001 0.000 2.563 371 Y HA 0.535 5.085 4.550 -0.000 0.000 0.250 371 Y C 1.360 177.180 175.900 -0.134 0.000 1.126 371 Y CA -0.815 57.198 58.100 -0.146 0.000 1.231 371 Y CB 0.774 39.248 38.460 0.022 0.000 1.288 371 Y HN 0.028 nan 8.280 nan 0.000 0.537 372 V N -0.799 119.126 119.914 0.018 0.000 3.253 372 V HA 0.292 4.411 4.120 -0.000 0.000 0.320 372 V C 0.307 176.351 176.094 -0.083 0.000 1.442 372 V CA 0.340 62.653 62.300 0.022 0.000 1.097 372 V CB 0.312 32.177 31.823 0.070 0.000 1.008 372 V HN 0.137 nan 8.190 nan 0.000 0.463 373 V N -1.790 118.029 119.914 -0.158 0.000 5.003 373 V HA 0.087 4.206 4.120 -0.000 0.000 0.132 373 V C 1.436 177.379 176.094 -0.252 0.000 1.227 373 V CA 0.443 62.579 62.300 -0.274 0.000 1.094 373 V CB -0.550 30.978 31.823 -0.493 0.000 1.358 373 V HN 0.275 nan 8.190 nan 0.000 0.637 374 Y N 2.341 122.576 120.300 -0.107 0.000 2.092 374 Y HA 0.054 4.604 4.550 -0.000 0.000 0.282 374 Y C 2.532 178.348 175.900 -0.140 0.000 1.126 374 Y CA 2.096 60.149 58.100 -0.078 0.000 1.111 374 Y CB -1.286 37.173 38.460 -0.000 0.000 0.987 374 Y HN 0.308 nan 8.280 nan 0.000 0.489 375 G N 0.834 109.569 108.800 -0.107 0.000 2.628 375 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 375 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 375 G C -0.436 174.397 174.900 -0.112 0.000 1.240 375 G CA 1.481 46.473 45.100 -0.179 0.000 0.792 375 G HN 0.311 nan 8.290 nan 0.000 0.593 376 P HA -0.122 nan 4.420 nan 0.000 0.216 376 P C 2.128 179.450 177.300 0.037 0.000 1.157 376 P CA 1.272 64.297 63.100 -0.125 0.000 0.880 376 P CB -0.254 31.350 31.700 -0.160 0.000 0.791 377 L N -1.497 119.748 121.223 0.037 0.000 2.156 377 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 377 L C 2.842 179.816 176.870 0.172 0.000 1.095 377 L CA 0.895 55.808 54.840 0.122 0.000 0.770 377 L CB -0.749 41.349 42.059 0.064 0.000 0.914 377 L HN -0.081 nan 8.230 nan 0.000 0.439 378 L N -1.772 119.554 121.223 0.171 0.000 2.156 378 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 378 L C 2.447 179.465 176.870 0.246 0.000 1.095 378 L CA 1.082 56.051 54.840 0.216 0.000 0.770 378 L CB -0.429 41.734 42.059 0.174 0.000 0.914 378 L HN 0.181 nan 8.230 nan 0.000 0.439 379 Y N 0.459 120.791 120.300 0.054 0.000 2.395 379 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 379 Y C 1.708 177.539 175.900 -0.115 0.000 1.123 379 Y CA 0.903 59.028 58.100 0.042 0.000 1.227 379 Y CB 0.243 38.717 38.460 0.023 0.000 1.012 379 Y HN 0.228 nan 8.280 nan 0.000 0.552 380 G N -0.992 107.619 108.800 -0.314 0.000 2.134 380 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.209 380 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.209 380 G C 0.352 175.108 174.900 -0.240 0.000 0.993 380 G CA -0.006 44.551 45.100 -0.905 0.000 0.669 380 G HN 0.651 nan 8.290 nan 0.000 0.519 381 C N -0.930 118.415 119.300 0.075 0.000 2.662 381 C HA 1.010 5.470 4.460 -0.000 0.000 0.408 381 C C 1.038 176.146 174.990 0.196 0.000 2.199 381 C CA -0.302 58.816 59.018 0.167 0.000 1.790 381 C CB 1.193 29.069 27.740 0.226 0.000 2.162 381 C HN 1.856 nan 8.230 nan 0.000 0.448 382 A N 0.211 123.127 122.820 0.160 0.000 2.312 382 A HA 0.681 5.000 4.320 -0.000 0.000 0.326 382 A C -0.138 177.507 177.584 0.103 0.000 1.172 382 A CA 0.021 52.120 52.037 0.103 0.000 0.821 382 A CB 0.567 19.616 19.000 0.081 0.000 1.166 382 A HN 1.136 nan 8.150 nan 0.000 0.493 383 T N 2.227 116.809 114.554 0.048 0.000 2.841 383 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 383 T C -0.856 173.865 174.700 0.034 0.000 1.000 383 T CA -0.391 61.757 62.100 0.080 0.000 0.977 383 T CB 0.369 69.255 68.868 0.031 0.000 0.979 383 T HN 0.570 nan 8.240 nan 0.000 0.446 384 L N 5.432 126.702 121.223 0.079 0.000 2.292 384 L HA 0.664 5.004 4.340 -0.000 0.000 0.284 384 L C -0.824 176.084 176.870 0.064 0.000 1.065 384 L CA -0.655 54.156 54.840 -0.048 0.000 0.806 384 L CB 1.233 43.147 42.059 -0.243 0.000 1.175 384 L HN 0.452 nan 8.230 nan 0.000 0.431 385 V N 5.409 125.340 119.914 0.029 0.000 2.313 385 V HA 0.260 4.380 4.120 -0.000 0.000 0.278 385 V C -0.572 175.637 176.094 0.192 0.000 1.017 385 V CA -0.487 61.916 62.300 0.172 0.000 0.823 385 V CB 0.981 32.928 31.823 0.207 0.000 1.010 385 V HN 0.455 nan 8.190 nan 0.000 0.443 386 F N 4.975 124.936 119.950 0.018 0.000 2.402 386 F HA 0.483 5.010 4.527 -0.000 0.000 0.355 386 F C 1.042 176.881 175.800 0.065 0.000 1.123 386 F CA -1.440 56.510 58.000 -0.084 0.000 1.021 386 F CB 1.676 40.642 39.000 -0.057 0.000 1.160 386 F HN 0.713 nan 8.300 nan 0.000 0.451 387 E N 3.272 123.301 120.200 -0.285 0.000 2.368 387 E HA 0.380 4.730 4.350 -0.000 0.000 0.188 387 E C 0.567 176.822 176.600 -0.576 0.000 1.061 387 E CA -0.261 55.978 56.400 -0.268 0.000 0.933 387 E CB 0.162 29.895 29.700 0.055 0.000 1.091 387 E HN 0.656 nan 8.360 nan 0.000 0.458 388 G N 0.505 108.399 108.800 -1.511 0.000 2.938 388 G HA2 0.499 4.459 3.960 -0.000 0.000 0.258 388 G HA3 0.499 4.459 3.960 -0.000 0.000 0.258 388 G C -0.484 174.027 174.900 -0.648 0.000 1.356 388 G CA -0.284 44.184 45.100 -1.053 0.000 1.052 388 G HN 0.186 nan 8.290 nan 0.000 0.550 389 T N -2.287 112.249 114.554 -0.030 0.000 2.918 389 T HA 0.545 4.895 4.350 -0.000 0.000 0.286 389 T C -2.138 172.759 174.700 0.328 0.000 1.026 389 T CA -1.603 60.582 62.100 0.142 0.000 1.031 389 T CB 2.455 71.341 68.868 0.030 0.000 1.046 389 T HN 0.099 nan 8.240 nan 0.000 0.479 390 P HA 0.079 nan 4.420 nan 0.000 0.220 390 P C 1.151 178.244 177.300 -0.345 0.000 1.148 390 P CA 0.807 63.726 63.100 -0.302 0.000 0.803 390 P CB -0.056 31.238 31.700 -0.677 0.000 0.782 391 A N -3.142 119.474 122.820 -0.340 0.000 2.220 391 A HA 0.057 4.377 4.320 -0.000 0.000 0.211 391 A C 0.415 177.748 177.584 -0.419 0.000 1.176 391 A CA 0.144 51.701 52.037 -0.800 0.000 0.834 391 A CB -0.714 17.895 19.000 -0.653 0.000 0.868 391 A HN 0.104 nan 8.150 nan 0.000 0.488 392 Y N 0.994 121.163 120.300 -0.217 0.000 2.330 392 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 392 Y C -2.025 173.877 175.900 0.004 0.000 1.036 392 Y CA -2.342 55.706 58.100 -0.086 0.000 1.125 392 Y CB 1.921 40.368 38.460 -0.022 0.000 1.194 392 Y HN 0.031 nan 8.280 nan 0.000 0.469 393 P HA 0.065 nan 4.420 nan 0.000 0.257 393 P C -1.426 175.704 177.300 -0.285 0.000 1.281 393 P CA 0.584 63.220 63.100 -0.773 0.000 0.826 393 P CB 0.189 31.446 31.700 -0.738 0.000 1.237 394 N N -2.341 116.233 118.700 -0.209 0.000 3.545 394 N HA -0.004 4.736 4.740 -0.000 0.000 0.227 394 N C -0.185 175.173 175.510 -0.252 0.000 1.380 394 N CA -0.809 52.166 53.050 -0.125 0.000 0.892 394 N CB -0.562 38.008 38.487 0.138 0.000 1.441 394 N HN -0.363 nan 8.380 nan 0.000 0.497 395 Y N -0.711 119.495 120.300 -0.157 0.000 2.651 395 Y HA 0.068 4.618 4.550 -0.000 0.000 0.296 395 Y C 2.202 177.982 175.900 -0.201 0.000 1.150 395 Y CA 1.079 58.950 58.100 -0.382 0.000 1.348 395 Y CB -0.109 37.887 38.460 -0.773 0.000 0.983 395 Y HN 0.690 nan 8.280 nan 0.000 0.555 396 S N -0.569 115.322 115.700 0.318 0.000 2.496 396 S HA -0.064 4.405 4.470 -0.000 0.000 0.224 396 S C 2.172 176.909 174.600 0.229 0.000 0.996 396 S CA 0.249 58.786 58.200 0.561 0.000 0.927 396 S CB -0.098 63.519 63.200 0.696 0.000 0.774 396 S HN 0.334 nan 8.310 nan 0.000 0.524 397 R N 0.866 121.393 120.500 0.044 0.000 2.112 397 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 397 R C 1.629 177.853 176.300 -0.127 0.000 1.137 397 R CA 2.162 58.238 56.100 -0.040 0.000 0.944 397 R CB -1.457 28.812 30.300 -0.051 0.000 0.857 397 R HN 0.452 nan 8.270 nan 0.000 0.435 398 Y N -0.584 119.451 120.300 -0.442 0.000 2.151 398 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 398 Y C 1.946 177.542 175.900 -0.507 0.000 1.166 398 Y CA 1.866 59.649 58.100 -0.528 0.000 1.163 398 Y CB -0.346 37.679 38.460 -0.726 0.000 0.974 398 Y HN 0.244 nan 8.280 nan 0.000 0.511 399 W N -0.361 120.870 121.300 -0.114 0.000 2.770 399 W HA -0.036 4.624 4.660 -0.000 0.000 0.256 399 W C 1.511 177.814 176.519 -0.360 0.000 1.291 399 W CA 0.554 57.645 57.345 -0.422 0.000 1.396 399 W CB -0.673 28.304 29.460 -0.805 0.000 1.114 399 W HN 0.158 nan 8.180 nan 0.000 0.637 400 D N 1.079 121.508 120.400 0.050 0.000 2.117 400 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 400 D C 2.105 178.392 176.300 -0.021 0.000 0.982 400 D CA 1.412 55.501 54.000 0.148 0.000 0.828 400 D CB -0.438 40.430 40.800 0.113 0.000 0.967 400 D HN 0.279 nan 8.370 nan 0.000 0.464 401 I N -1.819 118.666 120.570 -0.142 0.000 3.111 401 I HA 0.027 4.197 4.170 -0.000 0.000 0.272 401 I C 2.075 178.122 176.117 -0.117 0.000 1.268 401 I CA 0.512 61.711 61.300 -0.169 0.000 1.467 401 I CB -0.194 37.577 38.000 -0.381 0.000 1.087 401 I HN -0.142 nan 8.210 nan 0.000 0.467 402 I N 2.720 123.213 120.570 -0.127 0.000 2.584 402 I HA -0.187 3.983 4.170 -0.000 0.000 0.255 402 I C 2.040 178.141 176.117 -0.026 0.000 1.145 402 I CA 1.465 62.719 61.300 -0.077 0.000 1.462 402 I CB -0.130 37.819 38.000 -0.084 0.000 1.102 402 I HN 0.387 nan 8.210 nan 0.000 0.433 403 D N 0.083 120.478 120.400 -0.009 0.000 2.305 403 D HA -0.213 4.426 4.640 -0.000 0.000 0.206 403 D C 1.769 178.044 176.300 -0.041 0.000 0.974 403 D CA 0.663 54.669 54.000 0.009 0.000 0.871 403 D CB -0.314 40.540 40.800 0.089 0.000 0.947 403 D HN 0.518 nan 8.370 nan 0.000 0.516 404 E N -0.191 119.939 120.200 -0.116 0.000 2.170 404 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 404 E C 1.263 177.688 176.600 -0.292 0.000 0.981 404 E CA 0.636 56.899 56.400 -0.228 0.000 0.830 404 E CB -0.438 29.056 29.700 -0.343 0.000 0.775 404 E HN 0.339 nan 8.360 nan 0.000 0.470 405 H N 0.859 119.881 119.070 -0.080 0.000 2.539 405 H HA 0.187 4.743 4.556 -0.000 0.000 0.269 405 H C 0.021 175.320 175.328 -0.047 0.000 0.980 405 H CA 0.456 56.457 56.048 -0.078 0.000 1.152 405 H CB 0.510 30.190 29.762 -0.136 0.000 1.407 405 H HN 0.029 nan 8.280 nan 0.000 0.564 406 K N 0.501 120.922 120.400 0.036 0.000 3.077 406 K HA -0.130 4.190 4.320 -0.000 0.000 0.264 406 K C -0.269 176.356 176.600 0.043 0.000 1.008 406 K CA 0.116 56.421 56.287 0.029 0.000 0.740 406 K CB -2.481 30.035 32.500 0.027 0.000 1.273 406 K HN 0.088 nan 8.250 nan 0.000 0.477 407 V N 1.459 121.399 119.914 0.044 0.000 2.584 407 V HA -0.093 4.027 4.120 -0.000 0.000 0.303 407 V C 2.006 178.117 176.094 0.029 0.000 1.035 407 V CA 1.473 63.801 62.300 0.047 0.000 1.172 407 V CB 0.720 32.585 31.823 0.070 0.000 0.896 407 V HN 0.594 nan 8.190 nan 0.000 0.486 408 T N 1.285 115.846 114.554 0.012 0.000 3.069 408 T HA 0.209 4.559 4.350 -0.000 0.000 0.252 408 T C 0.343 174.984 174.700 -0.099 0.000 1.053 408 T CA -0.156 61.938 62.100 -0.010 0.000 0.964 408 T CB 0.243 69.130 68.868 0.031 0.000 1.005 408 T HN 0.631 nan 8.240 nan 0.000 0.532 409 Q N 0.730 120.407 119.800 -0.205 0.000 2.309 409 Q HA 0.439 4.779 4.340 -0.000 0.000 0.254 409 Q C -2.033 173.774 176.000 -0.321 0.000 0.938 409 Q CA -0.576 54.913 55.803 -0.524 0.000 0.789 409 Q CB 2.042 29.871 28.738 -1.514 0.000 1.313 409 Q HN 0.341 nan 8.270 nan 0.000 0.438 410 F N 3.155 122.950 119.950 -0.260 0.000 2.458 410 F HA 0.601 5.128 4.527 -0.000 0.000 0.336 410 F C -1.608 174.203 175.800 0.019 0.000 1.114 410 F CA -1.241 56.702 58.000 -0.095 0.000 0.987 410 F CB 1.014 40.050 39.000 0.059 0.000 1.130 410 F HN 0.446 nan 8.300 nan 0.000 0.458 411 Y N 6.505 126.377 120.300 -0.713 0.000 2.307 411 Y HA 0.625 5.175 4.550 -0.000 0.000 0.323 411 Y C -1.846 173.689 175.900 -0.609 0.000 1.100 411 Y CA -1.147 56.685 58.100 -0.446 0.000 1.140 411 Y CB 0.975 39.330 38.460 -0.175 0.000 1.159 411 Y HN 0.607 nan 8.280 nan 0.000 0.436 412 V N 4.056 123.621 119.914 -0.581 0.000 3.182 412 V HA 0.963 5.083 4.120 -0.000 0.000 0.308 412 V C -1.068 174.879 176.094 -0.245 0.000 1.240 412 V CA -0.465 61.558 62.300 -0.461 0.000 1.063 412 V CB 2.182 33.721 31.823 -0.474 0.000 1.076 412 V HN 0.948 nan 8.190 nan 0.000 0.446 413 A N 3.035 125.807 122.820 -0.080 0.000 2.303 413 A HA 0.763 5.082 4.320 -0.000 0.000 0.317 413 A C -2.068 175.508 177.584 -0.013 0.000 1.149 413 A CA -1.454 50.589 52.037 0.010 0.000 0.822 413 A CB 0.969 20.045 19.000 0.127 0.000 1.131 413 A HN 0.697 nan 8.150 nan 0.000 0.493 414 P HA -0.160 nan 4.420 nan 0.000 0.216 414 P C 1.460 178.760 177.300 0.001 0.000 1.150 414 P CA 2.223 65.328 63.100 0.008 0.000 0.843 414 P CB 0.015 31.744 31.700 0.048 0.000 0.787 415 T N -0.485 114.067 114.554 -0.004 0.000 2.635 415 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 415 T C 1.917 176.600 174.700 -0.028 0.000 1.040 415 T CA 1.836 63.922 62.100 -0.023 0.000 1.156 415 T CB -1.197 67.648 68.868 -0.038 0.000 0.863 415 T HN 0.075 nan 8.240 nan 0.000 0.430 416 A N 1.438 124.245 122.820 -0.022 0.000 1.883 416 A HA 0.012 4.331 4.320 -0.000 0.000 0.217 416 A C 2.311 179.892 177.584 -0.006 0.000 1.186 416 A CA 1.321 53.335 52.037 -0.039 0.000 0.624 416 A CB -1.022 17.957 19.000 -0.034 0.000 0.822 416 A HN 0.498 nan 8.150 nan 0.000 0.444 417 L N -1.291 119.952 121.223 0.033 0.000 2.450 417 L HA -0.103 4.237 4.340 -0.000 0.000 0.224 417 L C 2.630 179.531 176.870 0.052 0.000 1.149 417 L CA 1.117 56.041 54.840 0.139 0.000 0.816 417 L CB -0.320 41.755 42.059 0.027 0.000 0.932 417 L HN 0.450 nan 8.230 nan 0.000 0.449 418 R N -0.419 120.060 120.500 -0.035 0.000 2.189 418 R HA -0.040 4.300 4.340 -0.000 0.000 0.203 418 R C 2.040 178.250 176.300 -0.151 0.000 1.012 418 R CA 0.376 56.410 56.100 -0.109 0.000 1.015 418 R CB 0.200 30.462 30.300 -0.063 0.000 0.938 418 R HN 0.181 nan 8.270 nan 0.000 0.472 419 L N 0.542 121.706 121.223 -0.098 0.000 2.307 419 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 419 L C 1.584 178.377 176.870 -0.128 0.000 1.099 419 L CA 1.245 56.023 54.840 -0.102 0.000 0.816 419 L CB 0.086 42.126 42.059 -0.031 0.000 0.952 419 L HN 0.158 nan 8.230 nan 0.000 0.455 420 L N -0.566 120.636 121.223 -0.037 0.000 2.179 420 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 420 L C 2.325 179.236 176.870 0.069 0.000 1.096 420 L CA 0.999 55.910 54.840 0.117 0.000 0.779 420 L CB -0.543 41.733 42.059 0.362 0.000 0.922 420 L HN 0.258 nan 8.230 nan 0.000 0.443 421 K N 0.469 120.617 120.400 -0.419 0.000 2.439 421 K HA -0.076 4.244 4.320 -0.000 0.000 0.197 421 K C 2.058 178.346 176.600 -0.520 0.000 1.041 421 K CA 0.552 56.181 56.287 -1.097 0.000 0.970 421 K CB 0.221 31.576 32.500 -1.907 0.000 0.773 421 K HN 0.259 nan 8.250 nan 0.000 0.479 422 R N -0.403 119.900 120.500 -0.328 0.000 2.112 422 R HA 0.072 4.412 4.340 -0.000 0.000 0.216 422 R C 2.176 178.357 176.300 -0.197 0.000 1.080 422 R CA 0.862 56.814 56.100 -0.246 0.000 0.996 422 R CB -0.068 30.092 30.300 -0.233 0.000 0.902 422 R HN 0.139 nan 8.270 nan 0.000 0.449 423 A N 0.982 123.648 122.820 -0.257 0.000 2.125 423 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 423 A C 0.871 178.524 177.584 0.116 0.000 1.156 423 A CA 1.171 53.075 52.037 -0.221 0.000 0.671 423 A CB -0.411 18.204 19.000 -0.642 0.000 0.794 423 A HN 0.473 nan 8.150 nan 0.000 0.459 424 G N 0.069 108.944 108.800 0.124 0.000 2.785 424 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 424 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 424 G C -0.257 174.841 174.900 0.330 0.000 1.155 424 G CA -0.007 45.215 45.100 0.202 0.000 0.760 424 G HN 0.783 nan 8.290 nan 0.000 0.624 425 D N 0.499 121.067 120.400 0.280 0.000 2.488 425 D HA -0.014 4.625 4.640 -0.000 0.000 0.260 425 D C 1.652 178.045 176.300 0.154 0.000 1.273 425 D CA 0.773 54.909 54.000 0.226 0.000 0.912 425 D CB -0.271 40.636 40.800 0.179 0.000 0.982 425 D HN 0.784 nan 8.370 nan 0.000 0.492 426 S N -0.703 115.123 115.700 0.211 0.000 2.456 426 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 426 S C 1.574 176.212 174.600 0.064 0.000 1.035 426 S CA -0.121 58.123 58.200 0.073 0.000 0.940 426 S CB -0.625 62.562 63.200 -0.021 0.000 0.799 426 S HN 0.265 nan 8.310 nan 0.000 0.508 427 Y N 1.604 122.019 120.300 0.191 0.000 2.519 427 Y HA 0.411 4.961 4.550 -0.000 0.000 0.287 427 Y C 1.782 177.855 175.900 0.289 0.000 1.128 427 Y CA 0.039 58.331 58.100 0.320 0.000 1.282 427 Y CB -0.395 38.406 38.460 0.568 0.000 1.027 427 Y HN 0.300 nan 8.280 nan 0.000 0.551 428 I N -1.084 119.565 120.570 0.132 0.000 3.783 428 I HA -0.044 4.126 4.170 -0.000 0.000 0.310 428 I C 2.226 178.328 176.117 -0.025 0.000 1.274 428 I CA 0.191 61.384 61.300 -0.178 0.000 1.294 428 I CB -0.087 37.559 38.000 -0.590 0.000 1.051 428 I HN 0.112 nan 8.210 nan 0.000 0.435 429 E N 2.584 122.790 120.200 0.010 0.000 2.028 429 E HA -0.346 4.004 4.350 -0.000 0.000 0.217 429 E C 1.597 178.166 176.600 -0.051 0.000 1.039 429 E CA 2.166 58.550 56.400 -0.026 0.000 0.882 429 E CB -0.514 29.170 29.700 -0.025 0.000 0.794 429 E HN 0.554 nan 8.360 nan 0.000 0.488 430 N N -0.571 118.072 118.700 -0.094 0.000 2.192 430 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 430 N C 0.010 175.428 175.510 -0.152 0.000 1.013 430 N CA 0.289 53.251 53.050 -0.147 0.000 0.863 430 N CB -0.154 38.206 38.487 -0.212 0.000 0.990 430 N HN 0.226 nan 8.380 nan 0.000 0.430 431 H N -0.319 118.718 119.070 -0.055 0.000 3.107 431 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 431 H C 1.475 176.746 175.328 -0.095 0.000 0.981 431 H CA 0.283 56.291 56.048 -0.067 0.000 1.443 431 H CB 0.978 30.687 29.762 -0.087 0.000 1.479 431 H HN 0.232 nan 8.280 nan 0.000 0.564 432 S N 3.621 119.345 115.700 0.040 0.000 2.404 432 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 432 S C 0.892 175.481 174.600 -0.020 0.000 1.040 432 S CA 0.323 58.518 58.200 -0.010 0.000 0.957 432 S CB -0.186 63.005 63.200 -0.015 0.000 0.826 432 S HN 0.625 nan 8.310 nan 0.000 0.491 433 L N -0.146 121.081 121.223 0.007 0.000 3.941 433 L HA -0.144 4.196 4.340 -0.000 0.000 0.455 433 L C 0.530 177.377 176.870 -0.038 0.000 1.179 433 L CA 0.533 55.362 54.840 -0.018 0.000 0.782 433 L CB -2.555 39.470 42.059 -0.057 0.000 1.679 433 L HN 0.123 nan 8.230 nan 0.000 0.871 434 K N 0.429 120.813 120.400 -0.026 0.000 2.525 434 K HA 0.125 4.445 4.320 -0.000 0.000 0.192 434 K C 1.886 178.476 176.600 -0.016 0.000 1.029 434 K CA 0.884 57.154 56.287 -0.027 0.000 1.029 434 K CB 0.119 32.606 32.500 -0.021 0.000 0.814 434 K HN 0.938 nan 8.250 nan 0.000 0.503 435 S N -0.018 115.675 115.700 -0.011 0.000 2.453 435 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 435 S C 1.084 175.685 174.600 0.001 0.000 1.005 435 S CA 0.102 58.302 58.200 0.001 0.000 0.949 435 S CB -0.075 63.128 63.200 0.005 0.000 0.774 435 S HN 0.017 nan 8.310 nan 0.000 0.510 436 L N 1.881 123.095 121.223 -0.014 0.000 2.452 436 L HA 0.381 4.721 4.340 -0.000 0.000 0.267 436 L C 1.567 178.428 176.870 -0.015 0.000 1.188 436 L CA 0.504 55.334 54.840 -0.017 0.000 0.821 436 L CB 0.376 42.415 42.059 -0.034 0.000 1.102 436 L HN 0.334 nan 8.230 nan 0.000 0.470 437 R N 0.422 120.915 120.500 -0.012 0.000 2.576 437 R HA 0.181 4.521 4.340 -0.000 0.000 0.237 437 R C -0.415 175.881 176.300 -0.007 0.000 0.917 437 R CA 0.076 56.177 56.100 0.002 0.000 1.002 437 R CB 0.920 31.241 30.300 0.035 0.000 1.428 437 R HN 0.639 nan 8.270 nan 0.000 0.603 438 C N 1.134 120.423 119.300 -0.018 0.000 3.082 438 C HA 0.619 5.078 4.460 -0.000 0.000 0.324 438 C C -1.415 173.574 174.990 -0.002 0.000 1.210 438 C CA -0.654 58.361 59.018 -0.006 0.000 1.366 438 C CB 1.072 28.844 27.740 0.055 0.000 1.756 438 C HN 0.208 nan 8.230 nan 0.000 0.485 439 L N 3.773 124.985 121.223 -0.018 0.000 2.341 439 L HA 0.910 5.250 4.340 -0.000 0.000 0.267 439 L C 0.438 177.401 176.870 0.155 0.000 1.009 439 L CA -0.327 54.527 54.840 0.023 0.000 0.819 439 L CB 2.075 43.924 42.059 -0.349 0.000 1.323 439 L HN 0.888 nan 8.230 nan 0.000 0.425 440 G N -0.183 108.827 108.800 0.350 0.000 2.706 440 G HA2 0.529 4.489 3.960 -0.000 0.000 0.297 440 G HA3 0.529 4.489 3.960 -0.000 0.000 0.297 440 G C -1.902 173.297 174.900 0.498 0.000 1.403 440 G CA -0.310 45.064 45.100 0.457 0.000 0.954 440 G HN 0.405 nan 8.290 nan 0.000 0.500 441 S N -0.566 115.374 115.700 0.400 0.000 2.521 441 S HA 0.816 5.286 4.470 -0.000 0.000 0.295 441 S C -1.036 173.694 174.600 0.217 0.000 1.098 441 S CA -0.585 57.743 58.200 0.213 0.000 0.999 441 S CB 1.740 65.061 63.200 0.201 0.000 1.034 441 S HN 1.622 nan 8.310 nan 0.000 0.483 442 V N 3.788 123.744 119.914 0.069 0.000 3.178 442 V HA 0.818 4.938 4.120 -0.000 0.000 0.302 442 V C 0.636 176.825 176.094 0.158 0.000 1.262 442 V CA 0.745 63.122 62.300 0.128 0.000 1.030 442 V CB 1.321 33.173 31.823 0.047 0.000 1.074 442 V HN 1.544 nan 8.190 nan 0.000 0.438 443 G N 3.536 112.466 108.800 0.216 0.000 2.784 443 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.204 443 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.204 443 G C 0.015 175.017 174.900 0.170 0.000 1.300 443 G CA 0.884 46.153 45.100 0.281 0.000 0.863 443 G HN 1.792 nan 8.290 nan 0.000 0.541 444 E N -0.072 120.217 120.200 0.147 0.000 2.439 444 E HA 0.572 4.922 4.350 -0.000 0.000 0.279 444 E C -3.301 173.378 176.600 0.132 0.000 1.077 444 E CA -1.914 54.562 56.400 0.127 0.000 0.849 444 E CB 1.207 30.956 29.700 0.081 0.000 1.408 444 E HN 0.146 nan 8.360 nan 0.000 0.457 445 P HA 0.075 nan 4.420 nan 0.000 0.265 445 P C -0.803 176.576 177.300 0.132 0.000 1.187 445 P CA 0.173 63.347 63.100 0.123 0.000 0.766 445 P CB 0.377 32.139 31.700 0.103 0.000 0.820 446 I N 1.703 122.373 120.570 0.166 0.000 2.382 446 I HA 0.507 4.677 4.170 -0.000 0.000 0.285 446 I C 0.143 176.393 176.117 0.221 0.000 1.007 446 I CA -0.941 60.481 61.300 0.203 0.000 1.142 446 I CB 1.183 39.352 38.000 0.283 0.000 1.289 446 I HN 0.387 nan 8.210 nan 0.000 0.453 447 A N 5.173 128.105 122.820 0.187 0.000 2.504 447 A HA 0.358 4.678 4.320 -0.000 0.000 0.242 447 A C 1.353 179.080 177.584 0.238 0.000 1.100 447 A CA 0.782 52.925 52.037 0.177 0.000 0.786 447 A CB 0.253 19.336 19.000 0.137 0.000 1.050 447 A HN 1.028 nan 8.150 nan 0.000 0.512 448 A N -0.110 122.827 122.820 0.194 0.000 1.872 448 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 448 A C 1.847 179.604 177.584 0.290 0.000 1.187 448 A CA 1.680 53.843 52.037 0.209 0.000 0.614 448 A CB -0.846 18.226 19.000 0.121 0.000 0.826 448 A HN 0.997 nan 8.150 nan 0.000 0.442 449 E N -0.176 120.159 120.200 0.224 0.000 2.153 449 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 449 E C 1.638 178.428 176.600 0.318 0.000 0.988 449 E CA 1.441 57.982 56.400 0.236 0.000 0.811 449 E CB -0.561 29.232 29.700 0.154 0.000 0.746 449 E HN 0.337 nan 8.360 nan 0.000 0.466 450 V N -0.444 119.656 119.914 0.310 0.000 2.719 450 V HA -0.082 4.038 4.120 -0.000 0.000 0.252 450 V C 1.650 178.054 176.094 0.518 0.000 1.065 450 V CA 1.366 63.887 62.300 0.367 0.000 1.086 450 V CB -0.456 31.507 31.823 0.233 0.000 0.700 450 V HN 0.566 nan 8.190 nan 0.000 0.467 451 W N 0.693 122.167 121.300 0.289 0.000 2.409 451 W HA -0.041 4.619 4.660 -0.000 0.000 0.299 451 W C 2.351 179.046 176.519 0.293 0.000 1.203 451 W CA 1.574 59.101 57.345 0.303 0.000 1.298 451 W CB 0.183 29.772 29.460 0.215 0.000 1.127 451 W HN 0.193 nan 8.180 nan 0.000 0.528 452 E N -0.308 120.297 120.200 0.674 0.000 2.031 452 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 452 E C 1.704 178.484 176.600 0.300 0.000 0.994 452 E CA 1.813 58.503 56.400 0.484 0.000 0.800 452 E CB -1.578 28.353 29.700 0.385 0.000 0.752 452 E HN 0.520 nan 8.360 nan 0.000 0.447 453 W N 1.205 122.620 121.300 0.192 0.000 2.321 453 W HA -0.305 4.355 4.660 -0.000 0.000 0.306 453 W C 2.266 178.879 176.519 0.156 0.000 1.217 453 W CA 1.921 59.353 57.345 0.146 0.000 1.257 453 W CB -0.628 28.919 29.460 0.146 0.000 1.145 453 W HN 0.131 nan 8.180 nan 0.000 0.509 454 Y N 0.722 120.985 120.300 -0.062 0.000 2.200 454 Y HA -0.154 4.396 4.550 -0.000 0.000 0.290 454 Y C 2.805 178.472 175.900 -0.387 0.000 1.137 454 Y CA 2.043 59.956 58.100 -0.310 0.000 1.163 454 Y CB -1.265 37.139 38.460 -0.093 0.000 0.988 454 Y HN 0.008 nan 8.280 nan 0.000 0.518 455 S N -0.723 114.751 115.700 -0.377 0.000 2.423 455 S HA -0.176 4.294 4.470 -0.000 0.000 0.231 455 S C 2.033 176.465 174.600 -0.280 0.000 1.014 455 S CA 1.565 59.484 58.200 -0.469 0.000 0.965 455 S CB -0.325 62.601 63.200 -0.457 0.000 0.785 455 S HN 0.722 nan 8.310 nan 0.000 0.495 456 E N -0.605 119.470 120.200 -0.207 0.000 2.206 456 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 456 E C 1.815 178.271 176.600 -0.240 0.000 0.935 456 E CA 0.138 56.442 56.400 -0.160 0.000 0.875 456 E CB 0.004 29.672 29.700 -0.052 0.000 0.841 456 E HN 0.188 nan 8.360 nan 0.000 0.477 457 K N 0.635 120.801 120.400 -0.389 0.000 1.991 457 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 457 K C 2.189 178.515 176.600 -0.458 0.000 1.045 457 K CA 0.842 56.860 56.287 -0.449 0.000 0.937 457 K CB -0.358 31.716 32.500 -0.711 0.000 0.720 457 K HN 0.156 nan 8.250 nan 0.000 0.438 458 I N 0.673 120.923 120.570 -0.535 0.000 2.235 458 I HA -0.083 4.087 4.170 -0.000 0.000 0.241 458 I C 2.298 178.210 176.117 -0.341 0.000 1.085 458 I CA 1.554 62.602 61.300 -0.420 0.000 1.378 458 I CB -1.027 36.813 38.000 -0.267 0.000 1.076 458 I HN 0.231 nan 8.210 nan 0.000 0.415 459 G N -0.310 108.260 108.800 -0.384 0.000 2.744 459 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.211 459 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.211 459 G C 0.782 175.554 174.900 -0.214 0.000 1.143 459 G CA 0.052 44.965 45.100 -0.311 0.000 0.788 459 G HN 0.231 nan 8.290 nan 0.000 0.534 460 K N 1.020 121.296 120.400 -0.206 0.000 3.016 460 K HA -0.197 4.123 4.320 -0.000 0.000 0.262 460 K C 0.276 176.811 176.600 -0.108 0.000 1.043 460 K CA 0.952 57.154 56.287 -0.142 0.000 0.761 460 K CB -2.415 30.016 32.500 -0.116 0.000 1.230 460 K HN 0.861 nan 8.250 nan 0.000 0.485 461 N N -0.006 118.621 118.700 -0.122 0.000 2.717 461 N HA -0.263 4.477 4.740 -0.000 0.000 0.298 461 N C 0.254 175.734 175.510 -0.049 0.000 1.128 461 N CA 1.818 54.821 53.050 -0.079 0.000 0.778 461 N CB -0.972 37.495 38.487 -0.034 0.000 0.972 461 N HN 0.852 nan 8.380 nan 0.000 0.573 462 E N -2.134 118.030 120.200 -0.059 0.000 2.323 462 E HA 0.208 4.558 4.350 -0.000 0.000 0.137 462 E C -1.111 175.467 176.600 -0.038 0.000 0.839 462 E CA -0.524 55.856 56.400 -0.033 0.000 1.352 462 E CB -0.257 29.425 29.700 -0.030 0.000 1.443 462 E HN 0.245 nan 8.360 nan 0.000 0.585 463 I N 2.093 122.621 120.570 -0.069 0.000 2.619 463 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 463 I C -2.504 173.560 176.117 -0.089 0.000 1.100 463 I CA -2.394 58.864 61.300 -0.070 0.000 1.043 463 I CB 1.824 39.768 38.000 -0.093 0.000 1.239 463 I HN -0.070 nan 8.210 nan 0.000 0.420 464 P HA 0.261 nan 4.420 nan 0.000 0.270 464 P C -0.981 176.266 177.300 -0.088 0.000 1.221 464 P CA 0.112 63.196 63.100 -0.026 0.000 0.788 464 P CB 0.395 32.099 31.700 0.007 0.000 0.904 465 I N 0.723 121.270 120.570 -0.038 0.000 2.531 465 I HA 0.135 4.305 4.170 -0.000 0.000 0.283 465 I C -0.587 175.595 176.117 0.109 0.000 1.083 465 I CA -1.008 60.249 61.300 -0.071 0.000 1.071 465 I CB 1.709 39.464 38.000 -0.408 0.000 1.210 465 I HN 0.035 nan 8.210 nan 0.000 0.450 466 V N 1.725 121.674 119.914 0.060 0.000 2.334 466 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 466 V C -0.200 175.945 176.094 0.085 0.000 1.040 466 V CA -0.371 61.934 62.300 0.009 0.000 0.866 466 V CB 1.255 32.949 31.823 -0.216 0.000 1.019 466 V HN 0.688 nan 8.190 nan 0.000 0.468 467 D N 5.014 125.503 120.400 0.149 0.000 2.453 467 D HA 0.215 4.855 4.640 -0.000 0.000 0.223 467 D C 0.774 177.122 176.300 0.080 0.000 1.183 467 D CA -0.006 54.107 54.000 0.189 0.000 0.933 467 D CB 0.763 41.714 40.800 0.252 0.000 1.038 467 D HN 0.895 nan 8.370 nan 0.000 0.513 468 T N 2.017 116.604 114.554 0.055 0.000 2.738 468 T HA 0.125 4.475 4.350 -0.000 0.000 0.293 468 T C -0.121 174.712 174.700 0.222 0.000 0.913 468 T CA -0.738 61.302 62.100 -0.101 0.000 1.103 468 T CB 0.012 68.599 68.868 -0.467 0.000 0.880 468 T HN 0.287 nan 8.240 nan 0.000 0.526 469 Y N 7.327 127.691 120.300 0.106 0.000 2.350 469 Y HA 0.576 5.126 4.550 -0.000 0.000 0.340 469 Y C -0.611 175.555 175.900 0.443 0.000 1.006 469 Y CA -1.117 57.118 58.100 0.224 0.000 1.166 469 Y CB 0.460 38.975 38.460 0.091 0.000 1.168 469 Y HN 0.880 nan 8.280 nan 0.000 0.502 470 W N 4.863 125.808 121.300 -0.592 0.000 3.138 470 W HA 0.404 5.064 4.660 -0.000 0.000 0.332 470 W C -2.430 173.987 176.519 -0.170 0.000 1.090 470 W CA -1.160 55.946 57.345 -0.399 0.000 1.091 470 W CB 0.365 29.822 29.460 -0.005 0.000 1.445 470 W HN 0.594 nan 8.180 nan 0.000 0.559 471 Q N 0.085 119.836 119.800 -0.081 0.000 2.495 471 Q HA 0.479 4.819 4.340 -0.000 0.000 0.283 471 Q C 0.822 176.790 176.000 -0.053 0.000 1.097 471 Q CA -0.814 54.910 55.803 -0.132 0.000 0.836 471 Q CB 2.491 31.280 28.738 0.084 0.000 1.426 471 Q HN 0.383 nan 8.270 nan 0.000 0.459 472 T N 0.462 115.017 114.554 0.002 0.000 2.833 472 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 472 T C 0.960 175.858 174.700 0.330 0.000 1.054 472 T CA 1.749 63.925 62.100 0.128 0.000 1.135 472 T CB -0.027 68.933 68.868 0.153 0.000 0.869 472 T HN 0.474 nan 8.240 nan 0.000 0.466 473 E N 1.173 121.533 120.200 0.266 0.000 2.230 473 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 473 E C 2.411 179.296 176.600 0.475 0.000 0.987 473 E CA 0.851 57.381 56.400 0.217 0.000 0.841 473 E CB -0.175 29.552 29.700 0.044 0.000 0.783 473 E HN 0.536 nan 8.360 nan 0.000 0.481 474 S N -0.744 115.311 115.700 0.592 0.000 2.453 474 S HA 0.024 4.493 4.470 -0.000 0.000 0.231 474 S C 1.968 177.042 174.600 0.790 0.000 1.005 474 S CA 0.990 59.681 58.200 0.818 0.000 0.949 474 S CB -0.247 63.355 63.200 0.670 0.000 0.774 474 S HN 0.382 nan 8.310 nan 0.000 0.510 475 G N 0.990 110.221 108.800 0.720 0.000 2.779 475 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.230 475 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.230 475 G C 0.399 175.545 174.900 0.411 0.000 1.243 475 G CA 0.867 46.289 45.100 0.537 0.000 0.769 475 G HN 1.804 nan 8.290 nan 0.000 0.516 476 S N -0.912 114.948 115.700 0.266 0.000 2.697 476 S HA 0.643 5.113 4.470 -0.000 0.000 0.289 476 S C -0.356 174.114 174.600 -0.216 0.000 1.149 476 S CA -0.230 57.783 58.200 -0.311 0.000 0.850 476 S CB 1.100 64.048 63.200 -0.420 0.000 1.151 476 S HN 0.674 nan 8.310 nan 0.000 0.491 477 H N 0.380 119.033 119.070 -0.694 0.000 3.173 477 H HA 0.010 4.566 4.556 -0.000 0.000 0.311 477 H C 0.377 175.566 175.328 -0.232 0.000 0.972 477 H CA -0.390 55.343 56.048 -0.525 0.000 1.384 477 H CB 0.283 29.656 29.762 -0.649 0.000 1.349 477 H HN 0.271 nan 8.280 nan 0.000 0.582 478 L N 4.198 125.482 121.223 0.103 0.000 2.115 478 L HA 0.055 4.395 4.340 -0.000 0.000 0.200 478 L C 0.459 177.415 176.870 0.143 0.000 1.094 478 L CA 1.141 56.016 54.840 0.058 0.000 0.769 478 L CB 0.254 42.348 42.059 0.059 0.000 0.931 478 L HN 0.559 nan 8.230 nan 0.000 0.455 479 V N -2.352 117.706 119.914 0.240 0.000 2.531 479 V HA 0.748 4.867 4.120 -0.000 0.000 0.301 479 V C -0.637 175.500 176.094 0.072 0.000 1.034 479 V CA 0.015 62.403 62.300 0.147 0.000 0.865 479 V CB 1.557 33.439 31.823 0.099 0.000 0.995 479 V HN 0.332 nan 8.190 nan 0.000 0.424 480 T N 5.377 119.923 114.554 -0.013 0.000 2.802 480 T HA 0.691 5.041 4.350 -0.000 0.000 0.311 480 T C -3.200 171.430 174.700 -0.117 0.000 1.405 480 T CA -1.024 61.017 62.100 -0.098 0.000 1.016 480 T CB 2.495 71.240 68.868 -0.206 0.000 1.352 480 T HN 0.669 nan 8.240 nan 0.000 0.498 481 P HA 0.486 nan 4.420 nan 0.000 0.281 481 P C -0.858 176.375 177.300 -0.110 0.000 1.249 481 P CA -0.577 62.457 63.100 -0.111 0.000 0.810 481 P CB 0.514 32.179 31.700 -0.057 0.000 1.008 482 L N 1.729 122.895 121.223 -0.096 0.000 2.289 482 L HA 0.347 4.687 4.340 -0.000 0.000 0.285 482 L C 1.592 178.449 176.870 -0.022 0.000 1.049 482 L CA -0.648 54.165 54.840 -0.046 0.000 0.804 482 L CB 1.164 43.213 42.059 -0.017 0.000 1.195 482 L HN 0.460 nan 8.230 nan 0.000 0.428 483 A N 3.034 125.840 122.820 -0.022 0.000 2.093 483 A HA -0.130 4.190 4.320 -0.000 0.000 0.222 483 A C 1.655 179.260 177.584 0.036 0.000 1.162 483 A CA 2.290 54.328 52.037 0.003 0.000 0.655 483 A CB -0.378 18.633 19.000 0.018 0.000 0.805 483 A HN 1.011 nan 8.150 nan 0.000 0.461 484 G N -2.843 105.990 108.800 0.054 0.000 2.501 484 G HA2 0.297 4.257 3.960 -0.000 0.000 0.211 484 G HA3 0.297 4.257 3.960 -0.000 0.000 0.211 484 G C 1.397 176.329 174.900 0.053 0.000 1.409 484 G CA 0.764 45.902 45.100 0.064 0.000 0.531 484 G HN 0.686 nan 8.290 nan 0.000 1.086 485 G N 0.982 109.824 108.800 0.069 0.000 2.505 485 G HA2 0.013 3.973 3.960 -0.000 0.000 0.220 485 G HA3 0.013 3.973 3.960 -0.000 0.000 0.220 485 G C 1.029 175.912 174.900 -0.027 0.000 1.145 485 G CA 1.695 46.826 45.100 0.051 0.000 0.761 485 G HN 1.249 nan 8.290 nan 0.000 0.571 486 V N -1.193 118.672 119.914 -0.082 0.000 2.348 486 V HA 0.537 4.657 4.120 -0.000 0.000 0.270 486 V C 1.109 177.174 176.094 -0.048 0.000 1.037 486 V CA 0.113 62.320 62.300 -0.154 0.000 0.872 486 V CB 0.790 32.478 31.823 -0.226 0.000 1.002 486 V HN 0.080 nan 8.190 nan 0.000 0.464 487 T N 4.997 119.535 114.554 -0.028 0.000 2.777 487 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 487 T C -0.846 173.893 174.700 0.065 0.000 1.040 487 T CA 1.560 63.674 62.100 0.024 0.000 1.141 487 T CB -0.813 68.071 68.868 0.026 0.000 0.868 487 T HN 0.712 nan 8.240 nan 0.000 0.444 488 P HA 0.632 nan 4.420 nan 0.000 0.284 488 P C -0.792 176.636 177.300 0.215 0.000 1.287 488 P CA -0.611 62.597 63.100 0.180 0.000 0.824 488 P CB 0.801 32.671 31.700 0.284 0.000 1.180 489 M N -0.014 119.721 119.600 0.224 0.000 2.365 489 M HA 0.318 4.798 4.480 -0.000 0.000 0.288 489 M C -1.123 175.170 176.300 -0.011 0.000 1.152 489 M CA -0.508 54.896 55.300 0.175 0.000 0.948 489 M CB 2.892 35.609 32.600 0.196 0.000 1.729 489 M HN 0.112 nan 8.290 nan 0.000 0.487 490 K N 2.383 122.699 120.400 -0.141 0.000 2.507 490 K HA 0.373 4.693 4.320 -0.000 0.000 0.253 490 K C -2.159 174.046 176.600 -0.658 0.000 0.969 490 K CA -1.658 54.413 56.287 -0.359 0.000 0.908 490 K CB 1.734 34.041 32.500 -0.321 0.000 1.127 490 K HN 0.179 nan 8.250 nan 0.000 0.437 491 P HA -0.287 nan 4.420 nan 0.000 0.227 491 P C 0.847 177.715 177.300 -0.720 0.000 1.154 491 P CA 1.604 63.769 63.100 -1.558 0.000 0.879 491 P CB 0.289 31.480 31.700 -0.848 0.000 0.779 492 G N -3.057 105.583 108.800 -0.266 0.000 3.192 492 G HA2 0.145 4.105 3.960 -0.000 0.000 0.239 492 G HA3 0.145 4.105 3.960 -0.000 0.000 0.239 492 G C 0.258 174.919 174.900 -0.399 0.000 1.084 492 G CA 0.176 45.285 45.100 0.014 0.000 0.784 492 G HN 0.313 nan 8.290 nan 0.000 0.540 493 S N -0.615 114.479 115.700 -1.011 0.000 2.651 493 S HA 0.638 5.108 4.470 -0.000 0.000 0.291 493 S C 0.729 175.004 174.600 -0.542 0.000 1.141 493 S CA 0.128 57.609 58.200 -1.198 0.000 1.027 493 S CB 1.673 63.886 63.200 -1.646 0.000 1.043 493 S HN 0.379 nan 8.310 nan 0.000 0.530 494 A N 2.209 124.754 122.820 -0.459 0.000 2.535 494 A HA 0.579 4.899 4.320 -0.000 0.000 0.273 494 A C 1.001 178.386 177.584 -0.332 0.000 1.267 494 A CA 0.392 52.279 52.037 -0.249 0.000 0.940 494 A CB -0.868 18.060 19.000 -0.120 0.000 1.101 494 A HN 1.018 nan 8.150 nan 0.000 0.521 495 S N -1.573 113.809 115.700 -0.530 0.000 4.150 495 S HA -0.233 4.237 4.470 -0.000 0.000 0.575 495 S C -0.038 173.890 174.600 -1.120 0.000 1.878 495 S CA 1.967 59.654 58.200 -0.855 0.000 4.245 495 S CB -1.153 61.782 63.200 -0.442 0.000 0.231 495 S HN 0.793 nan 8.310 nan 0.000 0.469 496 F N 3.259 122.913 119.950 -0.494 0.000 2.556 496 F HA 0.592 5.119 4.527 -0.000 0.000 0.327 496 F C -2.511 173.135 175.800 -0.257 0.000 1.059 496 F CA -2.260 55.474 58.000 -0.443 0.000 0.953 496 F CB 0.324 38.864 39.000 -0.768 0.000 1.227 496 F HN 0.085 nan 8.300 nan 0.000 0.478 497 P HA -0.027 nan 4.420 nan 0.000 0.265 497 P C -0.438 176.927 177.300 0.109 0.000 1.193 497 P CA 0.150 63.297 63.100 0.078 0.000 0.765 497 P CB 0.296 32.062 31.700 0.109 0.000 0.823 498 F N 3.539 123.462 119.950 -0.045 0.000 2.480 498 F HA 0.270 4.797 4.527 -0.000 0.000 0.319 498 F C 0.220 175.983 175.800 -0.061 0.000 1.230 498 F CA -0.092 57.808 58.000 -0.166 0.000 1.285 498 F CB 0.155 39.095 39.000 -0.101 0.000 1.208 498 F HN 0.167 nan 8.300 nan 0.000 0.579 499 F N 2.481 122.049 119.950 -0.636 0.000 2.578 499 F HA 0.348 4.875 4.527 -0.000 0.000 0.381 499 F C 1.310 177.048 175.800 -0.102 0.000 1.069 499 F CA 0.386 58.067 58.000 -0.531 0.000 1.231 499 F CB -0.249 38.267 39.000 -0.807 0.000 1.086 499 F HN 0.652 nan 8.300 nan 0.000 0.564 500 G N 2.426 111.188 108.800 -0.062 0.000 2.234 500 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.235 500 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.235 500 G C -0.091 174.856 174.900 0.079 0.000 0.997 500 G CA -0.378 44.865 45.100 0.238 0.000 0.623 500 G HN 0.490 nan 8.290 nan 0.000 0.514 501 I N 1.960 122.533 120.570 0.004 0.000 2.325 501 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 501 I C -0.457 175.713 176.117 0.088 0.000 1.019 501 I CA -0.651 60.608 61.300 -0.067 0.000 1.302 501 I CB 1.651 39.572 38.000 -0.133 0.000 1.401 501 I HN 0.033 nan 8.210 nan 0.000 0.485 502 D N 6.445 126.901 120.400 0.092 0.000 2.485 502 D HA 0.464 5.104 4.640 -0.000 0.000 0.229 502 D C -0.395 176.010 176.300 0.175 0.000 1.101 502 D CA -0.311 53.786 54.000 0.161 0.000 0.906 502 D CB 0.907 41.794 40.800 0.145 0.000 1.019 502 D HN 0.569 nan 8.370 nan 0.000 0.516 503 A N 2.692 125.603 122.820 0.151 0.000 2.366 503 A HA 0.594 4.914 4.320 -0.000 0.000 0.272 503 A C 0.051 177.687 177.584 0.087 0.000 1.135 503 A CA -0.355 51.749 52.037 0.111 0.000 0.804 503 A CB 0.469 19.513 19.000 0.074 0.000 1.064 503 A HN 0.456 nan 8.150 nan 0.000 0.499 504 V N 0.349 120.296 119.914 0.056 0.000 3.078 504 V HA 0.798 4.918 4.120 -0.000 0.000 0.311 504 V C -0.534 175.515 176.094 -0.075 0.000 1.138 504 V CA -0.894 61.408 62.300 0.004 0.000 1.007 504 V CB 1.557 33.394 31.823 0.022 0.000 1.045 504 V HN 0.610 nan 8.190 nan 0.000 0.432 505 V N 3.298 123.159 119.914 -0.088 0.000 2.370 505 V HA 0.554 4.674 4.120 -0.000 0.000 0.283 505 V C -0.042 175.958 176.094 -0.156 0.000 1.023 505 V CA -0.310 61.919 62.300 -0.117 0.000 0.857 505 V CB 1.009 32.783 31.823 -0.083 0.000 0.985 505 V HN 0.769 nan 8.190 nan 0.000 0.443 506 L N 2.711 123.799 121.223 -0.225 0.000 2.332 506 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 506 L C -0.022 176.745 176.870 -0.172 0.000 1.016 506 L CA -0.771 53.919 54.840 -0.250 0.000 0.809 506 L CB 1.460 43.260 42.059 -0.432 0.000 1.280 506 L HN 0.511 nan 8.230 nan 0.000 0.447 507 D N 2.113 122.448 120.400 -0.108 0.000 2.316 507 D HA 0.129 4.769 4.640 -0.000 0.000 0.245 507 D C -1.659 174.636 176.300 -0.009 0.000 1.171 507 D CA -1.946 52.028 54.000 -0.043 0.000 0.856 507 D CB 1.733 42.529 40.800 -0.006 0.000 1.090 507 D HN 0.224 nan 8.370 nan 0.000 0.476 508 P HA -0.133 nan 4.420 nan 0.000 0.220 508 P C 0.508 177.891 177.300 0.139 0.000 1.148 508 P CA 0.894 64.051 63.100 0.095 0.000 0.803 508 P CB 0.771 32.510 31.700 0.065 0.000 0.782 509 N N -0.174 118.572 118.700 0.077 0.000 2.433 509 N HA -0.004 4.736 4.740 -0.000 0.000 0.213 509 N C 0.564 176.106 175.510 0.054 0.000 1.032 509 N CA 0.905 53.987 53.050 0.054 0.000 1.047 509 N CB -1.167 37.339 38.487 0.031 0.000 1.293 509 N HN -0.019 nan 8.380 nan 0.000 0.524 510 T N 2.223 116.803 114.554 0.043 0.000 3.162 510 T HA 0.362 4.712 4.350 -0.000 0.000 0.264 510 T C 0.798 175.533 174.700 0.060 0.000 0.959 510 T CA 0.155 62.279 62.100 0.040 0.000 1.118 510 T CB -0.730 68.154 68.868 0.028 0.000 0.979 510 T HN 0.553 nan 8.240 nan 0.000 0.679 511 G N 4.010 112.854 108.800 0.074 0.000 2.707 511 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.279 511 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.279 511 G C 0.038 175.031 174.900 0.156 0.000 1.345 511 G CA -0.149 45.014 45.100 0.105 0.000 0.912 511 G HN 0.819 nan 8.290 nan 0.000 0.563 512 E N 0.313 120.625 120.200 0.186 0.000 2.392 512 E HA 0.405 4.755 4.350 -0.000 0.000 0.307 512 E C 0.204 176.854 176.600 0.083 0.000 1.505 512 E CA 0.119 56.616 56.400 0.162 0.000 1.716 512 E CB 0.058 29.955 29.700 0.327 0.000 1.450 512 E HN 0.604 nan 8.360 nan 0.000 0.484 513 E N 1.439 121.662 120.200 0.040 0.000 2.259 513 E HA 0.164 4.514 4.350 -0.000 0.000 0.281 513 E C -0.338 176.250 176.600 -0.021 0.000 1.037 513 E CA -0.463 55.957 56.400 0.033 0.000 0.854 513 E CB 1.063 30.782 29.700 0.030 0.000 1.051 513 E HN 0.414 nan 8.360 nan 0.000 0.409 514 L N 4.083 125.311 121.223 0.007 0.000 2.369 514 L HA 0.127 4.466 4.340 -0.000 0.000 0.279 514 L C 0.275 177.142 176.870 -0.005 0.000 1.108 514 L CA -0.056 54.774 54.840 -0.017 0.000 0.852 514 L CB -0.130 41.959 42.059 0.050 0.000 1.169 514 L HN 0.406 nan 8.230 nan 0.000 0.452 515 N N 1.900 120.583 118.700 -0.028 0.000 2.430 515 N HA 0.045 4.785 4.740 -0.000 0.000 0.265 515 N C 0.661 176.174 175.510 0.004 0.000 1.100 515 N CA -0.227 52.816 53.050 -0.011 0.000 0.961 515 N CB 1.890 40.362 38.487 -0.025 0.000 1.075 515 N HN 0.575 nan 8.380 nan 0.000 0.478 516 T N 0.953 115.519 114.554 0.021 0.000 2.904 516 T HA -0.046 4.304 4.350 -0.000 0.000 0.243 516 T C 1.153 175.878 174.700 0.040 0.000 1.024 516 T CA 0.375 62.495 62.100 0.033 0.000 1.158 516 T CB -0.098 68.794 68.868 0.040 0.000 0.867 516 T HN 0.579 nan 8.240 nan 0.000 0.429 517 S N 1.812 117.540 115.700 0.046 0.000 2.576 517 S HA 0.084 4.554 4.470 -0.000 0.000 0.272 517 S C 0.240 174.897 174.600 0.096 0.000 1.352 517 S CA -0.581 57.659 58.200 0.068 0.000 1.021 517 S CB -0.103 63.131 63.200 0.056 0.000 0.887 517 S HN 0.581 nan 8.310 nan 0.000 0.542 518 H N 1.687 120.758 119.070 0.002 0.000 3.257 518 H HA 0.292 4.848 4.556 -0.000 0.000 0.256 518 H C 0.027 175.341 175.328 -0.023 0.000 0.885 518 H CA 1.135 57.178 56.048 -0.008 0.000 1.406 518 H CB -1.021 28.729 29.762 -0.020 0.000 1.506 518 H HN 0.915 nan 8.280 nan 0.000 0.527 519 A N 5.008 127.852 122.820 0.039 0.000 2.601 519 A HA 0.424 4.744 4.320 -0.000 0.000 0.291 519 A C -0.879 176.677 177.584 -0.048 0.000 1.075 519 A CA -0.727 51.342 52.037 0.054 0.000 0.671 519 A CB 1.240 20.264 19.000 0.041 0.000 1.277 519 A HN 0.732 nan 8.150 nan 0.000 0.417 520 E N 0.639 120.824 120.200 -0.025 0.000 2.191 520 E HA 0.708 5.057 4.350 -0.000 0.000 0.278 520 E C 0.106 176.685 176.600 -0.036 0.000 0.972 520 E CA -0.384 55.991 56.400 -0.041 0.000 0.804 520 E CB 1.986 31.670 29.700 -0.027 0.000 1.110 520 E HN 1.395 nan 8.360 nan 0.000 0.394 521 G N 0.999 109.769 108.800 -0.049 0.000 2.489 521 G HA2 0.310 4.270 3.960 -0.000 0.000 0.305 521 G HA3 0.310 4.270 3.960 -0.000 0.000 0.305 521 G C -1.137 173.719 174.900 -0.073 0.000 1.311 521 G CA -0.775 44.291 45.100 -0.057 0.000 0.813 521 G HN 0.390 nan 8.290 nan 0.000 0.480 522 V N 0.675 120.525 119.914 -0.105 0.000 2.637 522 V HA 0.375 4.495 4.120 -0.000 0.000 0.296 522 V C 0.380 176.384 176.094 -0.149 0.000 1.046 522 V CA -0.302 61.930 62.300 -0.113 0.000 1.066 522 V CB 1.187 32.895 31.823 -0.191 0.000 0.968 522 V HN 0.659 nan 8.190 nan 0.000 0.483 523 L N 5.031 126.189 121.223 -0.108 0.000 2.375 523 L HA 0.805 5.145 4.340 -0.000 0.000 0.271 523 L C 0.141 176.957 176.870 -0.089 0.000 1.107 523 L CA 0.510 55.289 54.840 -0.102 0.000 0.806 523 L CB 0.981 42.982 42.059 -0.098 0.000 1.146 523 L HN 0.882 nan 8.230 nan 0.000 0.447 524 A N 3.499 126.288 122.820 -0.051 0.000 2.599 524 A HA 0.791 5.111 4.320 -0.000 0.000 0.290 524 A C -1.778 175.909 177.584 0.171 0.000 1.101 524 A CA -0.536 51.516 52.037 0.025 0.000 0.674 524 A CB 1.313 20.273 19.000 -0.067 0.000 1.277 524 A HN 0.505 nan 8.150 nan 0.000 0.419 525 V N 1.125 121.262 119.914 0.372 0.000 2.604 525 V HA 0.385 4.505 4.120 -0.000 0.000 0.305 525 V C 0.691 177.180 176.094 0.659 0.000 1.043 525 V CA -0.683 61.880 62.300 0.438 0.000 0.888 525 V CB 1.603 33.684 31.823 0.430 0.000 0.995 525 V HN 0.986 nan 8.190 nan 0.000 0.429 526 K N 2.207 122.931 120.400 0.540 0.000 2.116 526 K HA 0.328 4.648 4.320 -0.000 0.000 0.203 526 K C 0.685 177.479 176.600 0.324 0.000 1.052 526 K CA 1.321 57.887 56.287 0.465 0.000 0.952 526 K CB 0.246 32.931 32.500 0.308 0.000 0.729 526 K HN 0.785 nan 8.250 nan 0.000 0.446 527 A N 0.781 123.691 122.820 0.149 0.000 2.430 527 A HA 0.712 5.032 4.320 -0.000 0.000 0.300 527 A C -0.934 176.433 177.584 -0.363 0.000 1.124 527 A CA -0.755 51.139 52.037 -0.238 0.000 0.766 527 A CB 1.377 20.309 19.000 -0.113 0.000 1.328 527 A HN 0.172 nan 8.150 nan 0.000 0.424 528 A N -0.331 121.995 122.820 -0.824 0.000 2.272 528 A HA 0.744 5.064 4.320 -0.000 0.000 0.275 528 A C -0.283 177.433 177.584 0.221 0.000 1.096 528 A CA -0.025 51.767 52.037 -0.408 0.000 0.822 528 A CB 0.060 18.711 19.000 -0.582 0.000 1.088 528 A HN 1.622 nan 8.150 nan 0.000 0.495 529 W N -1.514 119.743 121.300 -0.072 0.000 3.055 529 W HA 0.675 5.335 4.660 -0.000 0.000 0.340 529 W C -2.413 173.773 176.519 -0.555 0.000 1.180 529 W CA -1.772 55.405 57.345 -0.279 0.000 1.077 529 W CB 0.576 29.895 29.460 -0.236 0.000 1.479 529 W HN 0.389 nan 8.180 nan 0.000 0.593 530 P HA -0.121 nan 4.420 nan 0.000 0.216 530 P C 1.233 178.204 177.300 -0.548 0.000 1.153 530 P CA 1.702 63.944 63.100 -1.430 0.000 0.844 530 P CB 0.046 30.798 31.700 -1.580 0.000 0.787 531 S N -0.893 114.651 115.700 -0.261 0.000 2.660 531 S HA 0.041 4.511 4.470 -0.000 0.000 0.223 531 S C 0.472 175.113 174.600 0.069 0.000 0.963 531 S CA -0.278 57.931 58.200 0.015 0.000 0.932 531 S CB -1.094 62.191 63.200 0.142 0.000 0.775 531 S HN 0.050 nan 8.310 nan 0.000 0.531 532 F N 3.506 123.041 119.950 -0.692 0.000 2.467 532 F HA 0.499 5.025 4.527 -0.000 0.000 0.362 532 F C 0.595 176.184 175.800 -0.352 0.000 1.090 532 F CA -1.934 55.606 58.000 -0.768 0.000 1.202 532 F CB -0.067 37.933 39.000 -1.667 0.000 1.113 532 F HN 0.085 nan 8.300 nan 0.000 0.541 533 A N 7.003 129.344 122.820 -0.798 0.000 2.587 533 A HA 0.093 4.413 4.320 -0.000 0.000 0.233 533 A C 1.160 178.108 177.584 -1.061 0.000 1.049 533 A CA -0.200 51.199 52.037 -1.063 0.000 0.754 533 A CB 0.206 18.617 19.000 -0.982 0.000 0.977 533 A HN 0.861 nan 8.150 nan 0.000 0.509 534 R N 0.341 120.403 120.500 -0.730 0.000 2.210 534 R HA 0.139 4.479 4.340 -0.000 0.000 0.203 534 R C 0.663 176.469 176.300 -0.822 0.000 1.010 534 R CA 1.175 56.936 56.100 -0.565 0.000 1.008 534 R CB -0.368 29.718 30.300 -0.357 0.000 0.923 534 R HN 0.864 nan 8.270 nan 0.000 0.469 535 T N -1.044 112.954 114.554 -0.927 0.000 2.660 535 T HA 0.416 4.766 4.350 -0.000 0.000 0.299 535 T C -1.756 172.681 174.700 -0.437 0.000 1.763 535 T CA -0.617 60.840 62.100 -1.071 0.000 0.959 535 T CB 0.632 69.214 68.868 -0.476 0.000 1.935 535 T HN -0.064 nan 8.240 nan 0.000 0.470 536 I N 1.902 122.385 120.570 -0.145 0.000 2.410 536 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 536 I C -0.112 176.052 176.117 0.078 0.000 1.009 536 I CA -0.732 60.599 61.300 0.051 0.000 1.111 536 I CB 1.434 39.545 38.000 0.185 0.000 1.262 536 I HN 0.669 nan 8.210 nan 0.000 0.443 537 W N 8.164 129.386 121.300 -0.129 0.000 2.568 537 W HA -0.207 4.453 4.660 -0.000 0.000 0.343 537 W C 0.662 177.181 176.519 -0.001 0.000 1.097 537 W CA 0.551 57.848 57.345 -0.079 0.000 1.171 537 W CB 0.334 29.743 29.460 -0.084 0.000 1.142 537 W HN 0.703 nan 8.180 nan 0.000 0.569 538 K N 1.797 121.769 120.400 -0.713 0.000 3.529 538 K HA -0.305 4.015 4.320 -0.000 0.000 0.313 538 K C -0.475 175.993 176.600 -0.219 0.000 1.316 538 K CA 1.878 57.827 56.287 -0.563 0.000 0.988 538 K CB -1.876 30.288 32.500 -0.561 0.000 1.252 538 K HN 0.821 nan 8.250 nan 0.000 0.438 539 N N -1.992 116.649 118.700 -0.098 0.000 2.827 539 N HA 0.135 4.875 4.740 -0.000 0.000 0.240 539 N C -0.084 175.473 175.510 0.078 0.000 1.352 539 N CA -0.624 52.425 53.050 -0.002 0.000 0.760 539 N CB 0.609 39.106 38.487 0.015 0.000 1.426 539 N HN 0.041 nan 8.380 nan 0.000 0.561 540 H N 0.509 119.562 119.070 -0.028 0.000 2.560 540 H HA 0.027 4.583 4.556 -0.000 0.000 0.283 540 H C 0.676 176.083 175.328 0.132 0.000 1.028 540 H CA 1.285 57.350 56.048 0.029 0.000 1.221 540 H CB 0.297 30.046 29.762 -0.023 0.000 1.363 540 H HN 0.659 nan 8.280 nan 0.000 0.594 541 D N -0.440 120.003 120.400 0.071 0.000 2.103 541 D HA -0.068 4.572 4.640 -0.000 0.000 0.199 541 D C 2.269 178.574 176.300 0.009 0.000 0.978 541 D CA 0.759 54.772 54.000 0.021 0.000 0.829 541 D CB 0.048 40.866 40.800 0.028 0.000 0.981 541 D HN 0.199 nan 8.370 nan 0.000 0.464 542 R N -1.072 119.451 120.500 0.039 0.000 2.096 542 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 542 R C 2.065 178.376 176.300 0.018 0.000 1.127 542 R CA 0.987 57.101 56.100 0.023 0.000 0.968 542 R CB -0.449 29.884 30.300 0.054 0.000 0.861 542 R HN 0.250 nan 8.270 nan 0.000 0.440 543 Y N 0.847 121.120 120.300 -0.046 0.000 2.097 543 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 543 Y C 1.634 177.537 175.900 0.005 0.000 1.152 543 Y CA 1.956 60.078 58.100 0.038 0.000 1.136 543 Y CB -0.360 38.086 38.460 -0.023 0.000 0.975 543 Y HN 0.006 nan 8.280 nan 0.000 0.498 544 L N -0.351 120.812 121.223 -0.101 0.000 1.994 544 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 544 L C 2.135 178.935 176.870 -0.117 0.000 1.071 544 L CA 1.762 56.516 54.840 -0.143 0.000 0.745 544 L CB -0.810 41.191 42.059 -0.097 0.000 0.892 544 L HN 0.155 nan 8.230 nan 0.000 0.431 545 D N -0.471 119.867 120.400 -0.103 0.000 2.149 545 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 545 D C 2.200 178.418 176.300 -0.137 0.000 0.990 545 D CA 1.662 55.600 54.000 -0.102 0.000 0.839 545 D CB -0.254 40.497 40.800 -0.080 0.000 0.948 545 D HN 0.274 nan 8.370 nan 0.000 0.460 546 T N -0.671 113.740 114.554 -0.239 0.000 2.809 546 T HA -0.084 4.266 4.350 -0.000 0.000 0.260 546 T C 1.374 175.876 174.700 -0.330 0.000 1.039 546 T CA 0.950 62.812 62.100 -0.395 0.000 1.141 546 T CB -0.192 68.195 68.868 -0.801 0.000 0.869 546 T HN 0.190 nan 8.240 nan 0.000 0.437 547 Y N -0.139 120.200 120.300 0.066 0.000 2.558 547 Y HA 0.476 5.026 4.550 -0.000 0.000 0.273 547 Y C 1.801 177.768 175.900 0.110 0.000 1.100 547 Y CA -0.210 57.987 58.100 0.163 0.000 1.276 547 Y CB 0.079 38.646 38.460 0.179 0.000 1.196 547 Y HN 0.056 nan 8.280 nan 0.000 0.527 548 L N -0.760 120.508 121.223 0.076 0.000 2.781 548 L HA 0.179 4.519 4.340 -0.000 0.000 0.245 548 L C 1.170 178.040 176.870 -0.001 0.000 1.118 548 L CA 0.152 54.996 54.840 0.007 0.000 0.918 548 L CB 0.103 42.130 42.059 -0.053 0.000 1.246 548 L HN 0.087 nan 8.230 nan 0.000 0.526 549 N N 0.569 119.249 118.700 -0.034 0.000 2.409 549 N HA 0.012 4.752 4.740 -0.000 0.000 0.174 549 N C -0.849 174.574 175.510 -0.144 0.000 1.037 549 N CA 0.611 53.620 53.050 -0.068 0.000 0.898 549 N CB -0.634 37.807 38.487 -0.076 0.000 1.010 549 N HN 0.245 nan 8.380 nan 0.000 0.445 550 P HA -0.113 nan 4.420 nan 0.000 0.218 550 P C -0.404 176.452 177.300 -0.740 0.000 1.149 550 P CA 1.287 64.093 63.100 -0.490 0.000 0.817 550 P CB 0.065 31.383 31.700 -0.636 0.000 0.785 551 Y N -0.827 119.401 120.300 -0.119 0.000 2.544 551 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 551 Y C -2.398 173.561 175.900 0.099 0.000 1.089 551 Y CA -2.721 55.372 58.100 -0.012 0.000 1.230 551 Y CB 0.561 39.018 38.460 -0.005 0.000 1.101 551 Y HN -0.099 nan 8.280 nan 0.000 0.641 552 P HA -0.013 nan 4.420 nan 0.000 0.259 552 P C 1.032 178.429 177.300 0.161 0.000 1.155 552 P CA 2.376 65.542 63.100 0.110 0.000 0.759 552 P CB 0.544 32.280 31.700 0.061 0.000 0.753 553 G N 1.187 110.045 108.800 0.097 0.000 2.279 553 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.223 553 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.223 553 G C -0.179 174.685 174.900 -0.060 0.000 1.015 553 G CA -0.386 44.711 45.100 -0.004 0.000 0.621 553 G HN 0.472 nan 8.290 nan 0.000 0.506 554 Y N -0.970 119.429 120.300 0.164 0.000 2.730 554 Y HA 0.742 5.292 4.550 -0.000 0.000 0.325 554 Y C -0.063 175.774 175.900 -0.105 0.000 1.132 554 Y CA -1.295 56.918 58.100 0.188 0.000 1.206 554 Y CB 0.739 39.313 38.460 0.190 0.000 1.390 554 Y HN 0.187 nan 8.280 nan 0.000 0.555 555 Y N 1.468 121.793 120.300 0.042 0.000 2.331 555 Y HA 0.403 4.953 4.550 -0.000 0.000 0.338 555 Y C -1.353 174.676 175.900 0.215 0.000 0.992 555 Y CA -2.440 55.588 58.100 -0.120 0.000 1.121 555 Y CB 0.662 39.085 38.460 -0.062 0.000 1.184 555 Y HN 0.419 nan 8.280 nan 0.000 0.469 556 F N 7.257 126.963 119.950 -0.407 0.000 2.368 556 F HA 0.232 4.759 4.527 -0.000 0.000 0.362 556 F C 1.347 176.802 175.800 -0.575 0.000 1.137 556 F CA -0.368 57.441 58.000 -0.318 0.000 1.161 556 F CB 0.343 39.359 39.000 0.027 0.000 1.265 556 F HN 0.692 nan 8.300 nan 0.000 0.530 557 T N 1.608 115.674 114.554 -0.814 0.000 2.788 557 T HA 0.074 4.424 4.350 -0.000 0.000 0.268 557 T C 1.742 176.049 174.700 -0.655 0.000 1.044 557 T CA 1.216 62.962 62.100 -0.591 0.000 1.139 557 T CB -0.681 68.114 68.868 -0.121 0.000 0.867 557 T HN 1.425 nan 8.240 nan 0.000 0.454 558 G N 0.781 108.868 108.800 -1.189 0.000 2.176 558 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.232 558 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.232 558 G C -0.294 174.460 174.900 -0.244 0.000 0.986 558 G CA 0.145 44.700 45.100 -0.909 0.000 0.643 558 G HN 0.644 nan 8.290 nan 0.000 0.522 559 D N 0.031 120.339 120.400 -0.154 0.000 2.374 559 D HA 0.585 5.225 4.640 -0.000 0.000 0.239 559 D C 0.469 176.751 176.300 -0.031 0.000 0.991 559 D CA 0.303 54.284 54.000 -0.032 0.000 0.960 559 D CB 1.770 42.575 40.800 0.007 0.000 1.284 559 D HN 0.351 nan 8.370 nan 0.000 0.512 560 G N -0.916 107.871 108.800 -0.022 0.000 2.441 560 G HA2 0.672 4.632 3.960 -0.000 0.000 0.334 560 G HA3 0.672 4.632 3.960 -0.000 0.000 0.334 560 G C -1.067 173.795 174.900 -0.063 0.000 1.161 560 G CA -0.310 44.773 45.100 -0.028 0.000 0.935 560 G HN 0.569 nan 8.290 nan 0.000 0.488 561 A N -0.606 122.174 122.820 -0.067 0.000 2.493 561 A HA 1.039 5.359 4.320 -0.000 0.000 0.300 561 A C -0.901 176.649 177.584 -0.056 0.000 1.152 561 A CA -0.095 51.901 52.037 -0.070 0.000 0.643 561 A CB 1.109 20.031 19.000 -0.130 0.000 1.316 561 A HN 2.481 nan 8.150 nan 0.000 0.469 562 A N -0.019 122.780 122.820 -0.036 0.000 2.582 562 A HA 0.651 4.970 4.320 -0.000 0.000 0.297 562 A C -1.467 176.099 177.584 -0.029 0.000 1.059 562 A CA -0.578 51.411 52.037 -0.080 0.000 0.705 562 A CB 0.982 19.892 19.000 -0.150 0.000 1.279 562 A HN 0.671 nan 8.150 nan 0.000 0.404 563 K N 1.826 122.166 120.400 -0.099 0.000 2.213 563 K HA 0.455 4.774 4.320 -0.000 0.000 0.270 563 K C -0.748 175.767 176.600 -0.141 0.000 1.002 563 K CA -0.667 55.600 56.287 -0.034 0.000 0.868 563 K CB 1.374 33.859 32.500 -0.025 0.000 1.093 563 K HN 0.844 nan 8.250 nan 0.000 0.454 564 D N 1.551 121.971 120.400 0.033 0.000 2.398 564 D HA 0.019 4.659 4.640 -0.000 0.000 0.247 564 D C 0.687 177.079 176.300 0.154 0.000 1.227 564 D CA -0.375 53.636 54.000 0.018 0.000 0.980 564 D CB 0.702 41.604 40.800 0.171 0.000 1.106 564 D HN 0.257 nan 8.370 nan 0.000 0.493 565 K N -0.606 119.938 120.400 0.241 0.000 2.089 565 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 565 K C 0.818 177.508 176.600 0.150 0.000 1.048 565 K CA 1.771 58.159 56.287 0.168 0.000 0.926 565 K CB -0.256 32.307 32.500 0.105 0.000 0.714 565 K HN 0.472 nan 8.250 nan 0.000 0.448 566 D N -0.961 119.538 120.400 0.166 0.000 2.336 566 D HA 0.025 4.665 4.640 -0.000 0.000 0.229 566 D C 1.169 177.694 176.300 0.373 0.000 1.061 566 D CA 0.928 55.076 54.000 0.247 0.000 0.875 566 D CB 0.750 41.683 40.800 0.223 0.000 0.904 566 D HN 0.496 nan 8.370 nan 0.000 0.525 567 G N 0.441 109.401 108.800 0.267 0.000 2.241 567 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 567 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 567 G C 0.268 175.151 174.900 -0.027 0.000 0.998 567 G CA -0.222 44.991 45.100 0.188 0.000 0.621 567 G HN 0.246 nan 8.290 nan 0.000 0.519 568 Y N 0.845 120.944 120.300 -0.336 0.000 2.709 568 Y HA 0.417 4.967 4.550 -0.000 0.000 0.348 568 Y C 1.563 177.184 175.900 -0.464 0.000 1.267 568 Y CA 0.007 57.698 58.100 -0.682 0.000 1.486 568 Y CB 0.279 38.416 38.460 -0.538 0.000 1.356 568 Y HN 0.187 nan 8.280 nan 0.000 0.639 569 I N 1.748 122.019 120.570 -0.498 0.000 2.404 569 I HA 0.181 4.351 4.170 -0.000 0.000 0.293 569 I C -1.221 174.605 176.117 -0.485 0.000 0.992 569 I CA -0.819 60.286 61.300 -0.325 0.000 1.149 569 I CB 1.303 39.129 38.000 -0.290 0.000 1.315 569 I HN 0.517 nan 8.210 nan 0.000 0.446 570 W N 6.517 127.703 121.300 -0.191 0.000 2.471 570 W HA 0.454 5.114 4.660 -0.000 0.000 0.318 570 W C -0.408 176.001 176.519 -0.184 0.000 1.034 570 W CA -0.619 56.627 57.345 -0.164 0.000 1.224 570 W CB 0.871 30.246 29.460 -0.142 0.000 1.335 570 W HN 0.090 nan 8.180 nan 0.000 0.452 571 I N 5.002 125.543 120.570 -0.048 0.000 2.452 571 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 571 I C 0.937 177.054 176.117 0.000 0.000 1.079 571 I CA -0.087 61.137 61.300 -0.126 0.000 1.387 571 I CB 0.522 38.398 38.000 -0.207 0.000 1.404 571 I HN 0.566 nan 8.210 nan 0.000 0.522 572 L N 5.148 126.365 121.223 -0.010 0.000 2.591 572 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 572 L C 1.192 178.080 176.870 0.030 0.000 1.133 572 L CA 0.335 55.189 54.840 0.022 0.000 0.880 572 L CB -0.277 41.789 42.059 0.011 0.000 1.033 572 L HN 0.995 nan 8.230 nan 0.000 0.450 573 G N 1.404 110.221 108.800 0.027 0.000 2.270 573 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.224 573 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.224 573 G C 0.276 175.204 174.900 0.047 0.000 1.079 573 G CA 0.089 45.217 45.100 0.047 0.000 0.807 573 G HN 0.465 nan 8.290 nan 0.000 0.492 574 R N -1.854 118.671 120.500 0.042 0.000 2.080 574 R HA -0.157 4.182 4.340 -0.000 0.000 0.362 574 R C 1.020 177.354 176.300 0.056 0.000 1.156 574 R CA 0.796 56.923 56.100 0.045 0.000 0.964 574 R CB -1.452 28.879 30.300 0.052 0.000 2.865 574 R HN 1.499 nan 8.270 nan 0.000 0.490 575 V N 0.322 120.276 119.914 0.066 0.000 3.488 575 V HA 0.031 4.151 4.120 -0.000 0.000 0.286 575 V C 0.868 177.024 176.094 0.104 0.000 1.206 575 V CA 1.111 63.461 62.300 0.083 0.000 1.238 575 V CB 0.032 31.909 31.823 0.090 0.000 1.004 575 V HN 0.632 nan 8.190 nan 0.000 0.445 576 D N 0.080 120.539 120.400 0.097 0.000 2.389 576 D HA 0.053 4.693 4.640 -0.000 0.000 0.206 576 D C 0.754 177.096 176.300 0.069 0.000 1.055 576 D CA 0.399 54.458 54.000 0.099 0.000 0.856 576 D CB 0.522 41.385 40.800 0.105 0.000 0.957 576 D HN 0.501 nan 8.370 nan 0.000 0.509 577 D N 1.033 121.469 120.400 0.061 0.000 2.462 577 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 577 D C 0.484 176.816 176.300 0.053 0.000 1.173 577 D CA 0.038 54.069 54.000 0.051 0.000 0.831 577 D CB 1.752 42.578 40.800 0.043 0.000 1.001 577 D HN 0.022 nan 8.370 nan 0.000 0.499 578 V N 0.007 119.956 119.914 0.057 0.000 2.479 578 V HA 0.174 4.294 4.120 -0.000 0.000 0.281 578 V C 0.625 176.751 176.094 0.053 0.000 1.031 578 V CA -0.738 61.596 62.300 0.056 0.000 1.038 578 V CB 1.312 33.170 31.823 0.059 0.000 0.981 578 V HN -0.144 nan 8.190 nan 0.000 0.478 579 V N 5.596 125.541 119.914 0.051 0.000 2.353 579 V HA 0.375 4.495 4.120 -0.000 0.000 0.264 579 V C 0.431 176.550 176.094 0.042 0.000 1.049 579 V CA -0.265 62.060 62.300 0.042 0.000 0.896 579 V CB 0.644 32.489 31.823 0.036 0.000 1.025 579 V HN 1.100 nan 8.190 nan 0.000 0.475 580 N N 5.978 124.703 118.700 0.042 0.000 2.482 580 N HA 0.243 4.982 4.740 -0.000 0.000 0.242 580 N C -0.812 174.715 175.510 0.029 0.000 1.100 580 N CA -0.272 52.813 53.050 0.058 0.000 0.946 580 N CB 1.004 39.527 38.487 0.060 0.000 1.227 580 N HN 0.469 nan 8.380 nan 0.000 0.508 581 V N 2.916 122.831 119.914 0.002 0.000 2.334 581 V HA 0.240 4.360 4.120 -0.000 0.000 0.267 581 V C 0.423 176.464 176.094 -0.089 0.000 1.040 581 V CA -0.726 61.494 62.300 -0.132 0.000 0.866 581 V CB 0.410 32.043 31.823 -0.317 0.000 1.019 581 V HN 0.838 nan 8.190 nan 0.000 0.468 582 S N 3.955 119.651 115.700 -0.007 0.000 3.608 582 S HA -0.164 4.306 4.470 -0.000 0.000 0.382 582 S C 1.153 175.960 174.600 0.344 0.000 0.945 582 S CA 0.744 59.033 58.200 0.149 0.000 1.256 582 S CB -1.254 62.094 63.200 0.247 0.000 0.913 582 S HN 2.256 nan 8.310 nan 0.000 0.518 583 G N 0.218 109.160 108.800 0.236 0.000 2.370 583 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.293 583 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.293 583 G C 0.001 175.085 174.900 0.307 0.000 0.992 583 G CA 0.811 46.042 45.100 0.220 0.000 1.247 583 G HN 0.829 nan 8.290 nan 0.000 0.505 584 H N -0.743 118.379 119.070 0.086 0.000 3.583 584 H HA 0.244 4.800 4.556 -0.000 0.000 0.251 584 H C 1.256 176.621 175.328 0.062 0.000 1.060 584 H CA 0.209 56.312 56.048 0.093 0.000 1.159 584 H CB 0.559 30.414 29.762 0.155 0.000 1.496 584 H HN 0.624 nan 8.280 nan 0.000 0.540 585 R N 1.119 121.715 120.500 0.159 0.000 2.164 585 R HA -0.141 4.199 4.340 -0.000 0.000 0.342 585 R C -1.272 175.086 176.300 0.097 0.000 1.144 585 R CA 0.179 56.338 56.100 0.098 0.000 1.018 585 R CB -1.593 28.747 30.300 0.066 0.000 2.924 585 R HN 0.236 nan 8.270 nan 0.000 0.497 586 L N 2.618 123.894 121.223 0.087 0.000 2.262 586 L HA 0.302 4.642 4.340 -0.000 0.000 0.288 586 L C 0.888 177.793 176.870 0.058 0.000 1.035 586 L CA -0.700 54.185 54.840 0.076 0.000 0.820 586 L CB 1.670 43.771 42.059 0.069 0.000 1.204 586 L HN 0.536 nan 8.230 nan 0.000 0.424 587 S N -0.345 115.385 115.700 0.050 0.000 2.576 587 S HA 0.107 4.577 4.470 -0.000 0.000 0.276 587 S C 1.294 175.921 174.600 0.045 0.000 1.339 587 S CA -0.132 58.095 58.200 0.044 0.000 1.039 587 S CB 1.366 64.587 63.200 0.035 0.000 0.902 587 S HN 0.763 nan 8.310 nan 0.000 0.516 588 T N 0.072 114.654 114.554 0.047 0.000 2.857 588 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 588 T C 2.007 176.736 174.700 0.050 0.000 1.048 588 T CA 0.793 62.922 62.100 0.048 0.000 1.139 588 T CB -0.975 67.921 68.868 0.048 0.000 0.874 588 T HN 0.869 nan 8.240 nan 0.000 0.455 589 A N 2.177 125.028 122.820 0.051 0.000 1.870 589 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 589 A C 2.306 179.924 177.584 0.057 0.000 1.224 589 A CA 2.536 54.609 52.037 0.060 0.000 0.650 589 A CB -1.338 17.702 19.000 0.068 0.000 0.836 589 A HN 0.708 nan 8.150 nan 0.000 0.454 590 E N -0.472 119.754 120.200 0.043 0.000 2.038 590 E HA -0.173 4.176 4.350 -0.000 0.000 0.195 590 E C 1.901 178.521 176.600 0.034 0.000 1.000 590 E CA 1.591 58.008 56.400 0.029 0.000 0.803 590 E CB -0.277 29.428 29.700 0.008 0.000 0.750 590 E HN 0.659 nan 8.360 nan 0.000 0.448 591 I N 0.667 121.260 120.570 0.038 0.000 2.226 591 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 591 I C 2.227 178.372 176.117 0.046 0.000 1.100 591 I CA 1.439 62.764 61.300 0.042 0.000 1.374 591 I CB -0.325 37.702 38.000 0.044 0.000 1.057 591 I HN 0.204 nan 8.210 nan 0.000 0.413 592 E N 0.993 121.223 120.200 0.049 0.000 2.072 592 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 592 E C 2.370 179.000 176.600 0.051 0.000 0.982 592 E CA 1.093 57.523 56.400 0.050 0.000 0.803 592 E CB -0.178 29.552 29.700 0.051 0.000 0.755 592 E HN 0.479 nan 8.360 nan 0.000 0.453 593 A N 1.695 124.549 122.820 0.056 0.000 1.902 593 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 593 A C 2.411 180.030 177.584 0.057 0.000 1.181 593 A CA 1.704 53.779 52.037 0.063 0.000 0.623 593 A CB -0.652 18.394 19.000 0.076 0.000 0.818 593 A HN 0.286 nan 8.150 nan 0.000 0.443 594 A N -0.377 122.472 122.820 0.049 0.000 1.969 594 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 594 A C 1.983 179.597 177.584 0.050 0.000 1.169 594 A CA 1.481 53.545 52.037 0.046 0.000 0.635 594 A CB -0.393 18.629 19.000 0.037 0.000 0.810 594 A HN 0.417 nan 8.150 nan 0.000 0.445 595 I N 0.687 121.286 120.570 0.048 0.000 2.141 595 I HA -0.200 3.970 4.170 -0.000 0.000 0.236 595 I C 2.632 178.773 176.117 0.040 0.000 1.071 595 I CA 1.560 62.889 61.300 0.048 0.000 1.345 595 I CB -1.414 36.612 38.000 0.044 0.000 1.066 595 I HN 0.588 nan 8.210 nan 0.000 0.406 596 I N -0.298 120.293 120.570 0.034 0.000 2.300 596 I HA -0.254 3.916 4.170 -0.000 0.000 0.252 596 I C 1.734 177.865 176.117 0.023 0.000 1.119 596 I CA 1.547 62.860 61.300 0.022 0.000 1.384 596 I CB -0.755 37.258 38.000 0.022 0.000 1.062 596 I HN 0.247 nan 8.210 nan 0.000 0.426 597 E N 1.969 122.193 120.200 0.040 0.000 2.651 597 E HA -0.076 4.274 4.350 -0.000 0.000 0.236 597 E C -0.443 176.184 176.600 0.044 0.000 1.422 597 E CA -0.130 56.298 56.400 0.047 0.000 1.534 597 E CB -0.266 29.471 29.700 0.060 0.000 1.381 597 E HN 0.457 nan 8.360 nan 0.000 0.435 598 D N -0.296 120.122 120.400 0.030 0.000 2.863 598 D HA 0.150 4.790 4.640 -0.000 0.000 0.245 598 D C -2.124 174.172 176.300 -0.007 0.000 1.211 598 D CA -2.236 51.781 54.000 0.028 0.000 0.888 598 D CB 2.081 42.907 40.800 0.044 0.000 1.483 598 D HN -0.116 nan 8.370 nan 0.000 0.533 599 P HA -0.136 nan 4.420 nan 0.000 0.218 599 P C 1.503 178.772 177.300 -0.052 0.000 1.147 599 P CA 0.743 63.825 63.100 -0.031 0.000 0.827 599 P CB 0.311 31.996 31.700 -0.025 0.000 0.778 600 I N -1.984 118.544 120.570 -0.071 0.000 2.676 600 I HA -0.010 4.159 4.170 -0.000 0.000 0.259 600 I C 1.342 177.422 176.117 -0.063 0.000 1.194 600 I CA 0.841 62.089 61.300 -0.087 0.000 1.473 600 I CB -0.874 37.042 38.000 -0.141 0.000 1.096 600 I HN -0.085 nan 8.210 nan 0.000 0.443 601 V N -0.505 119.381 119.914 -0.046 0.000 3.126 601 V HA 0.788 4.908 4.120 -0.000 0.000 0.314 601 V C -0.064 176.006 176.094 -0.040 0.000 1.138 601 V CA -0.063 62.216 62.300 -0.036 0.000 1.034 601 V CB 2.210 34.021 31.823 -0.019 0.000 1.075 601 V HN 0.103 nan 8.190 nan 0.000 0.442 602 A N 3.052 125.847 122.820 -0.042 0.000 2.704 602 A HA 0.626 4.946 4.320 -0.000 0.000 0.260 602 A C 0.028 177.585 177.584 -0.044 0.000 1.144 602 A CA 0.394 52.397 52.037 -0.057 0.000 0.985 602 A CB 0.034 18.985 19.000 -0.083 0.000 1.256 602 A HN 0.915 nan 8.150 nan 0.000 0.598 603 E N -0.793 119.393 120.200 -0.023 0.000 2.649 603 E HA 0.408 4.758 4.350 -0.000 0.000 0.308 603 E C -2.010 174.596 176.600 0.009 0.000 1.017 603 E CA -0.430 55.963 56.400 -0.011 0.000 0.848 603 E CB 1.281 30.967 29.700 -0.023 0.000 1.240 603 E HN 0.384 nan 8.360 nan 0.000 0.421 604 C N 3.506 122.819 119.300 0.022 0.000 2.898 604 C HA 0.999 5.459 4.460 -0.000 0.000 0.304 604 C C -1.374 173.646 174.990 0.051 0.000 1.237 604 C CA 0.211 59.255 59.018 0.044 0.000 1.529 604 C CB 1.161 28.927 27.740 0.044 0.000 2.021 604 C HN 0.811 nan 8.230 nan 0.000 0.474 605 A N 4.125 126.995 122.820 0.084 0.000 2.599 605 A HA 0.626 4.946 4.320 -0.000 0.000 0.281 605 A C -1.267 176.396 177.584 0.132 0.000 1.137 605 A CA -0.244 51.838 52.037 0.075 0.000 0.767 605 A CB 0.730 19.745 19.000 0.026 0.000 1.266 605 A HN 0.997 nan 8.150 nan 0.000 0.420 606 V N 3.577 123.551 119.914 0.101 0.000 2.465 606 V HA 0.610 4.730 4.120 -0.000 0.000 0.279 606 V C 0.730 176.886 176.094 0.104 0.000 1.045 606 V CA 0.244 62.614 62.300 0.117 0.000 0.938 606 V CB 0.850 32.722 31.823 0.081 0.000 0.986 606 V HN 1.187 nan 8.190 nan 0.000 0.467 607 V N 2.421 122.420 119.914 0.141 0.000 4.306 607 V HA 1.133 5.253 4.120 -0.000 0.000 0.303 607 V C 0.111 176.283 176.094 0.130 0.000 1.454 607 V CA 0.113 62.481 62.300 0.113 0.000 0.910 607 V CB 1.237 33.110 31.823 0.083 0.000 1.241 607 V HN 1.049 nan 8.190 nan 0.000 0.466 608 G N -1.297 107.593 108.800 0.150 0.000 2.634 608 G HA2 0.750 4.710 3.960 -0.000 0.000 0.309 608 G HA3 0.750 4.710 3.960 -0.000 0.000 0.309 608 G C -2.097 172.972 174.900 0.280 0.000 1.299 608 G CA -0.152 45.049 45.100 0.169 0.000 0.798 608 G HN 1.443 nan 8.290 nan 0.000 0.490 609 F N -0.655 119.318 119.950 0.038 0.000 2.799 609 F HA 0.417 4.944 4.527 -0.000 0.000 0.316 609 F C -1.036 174.775 175.800 0.019 0.000 1.155 609 F CA -1.168 56.852 58.000 0.033 0.000 0.916 609 F CB 1.224 40.252 39.000 0.047 0.000 1.294 609 F HN 0.357 nan 8.300 nan 0.000 0.447 610 N N 3.492 121.655 118.700 -0.895 0.000 2.355 610 N HA -0.035 4.705 4.740 -0.000 0.000 0.282 610 N C -1.249 174.118 175.510 -0.239 0.000 1.374 610 N CA 0.873 53.581 53.050 -0.570 0.000 0.929 610 N CB -0.221 37.822 38.487 -0.741 0.000 1.278 610 N HN 0.485 nan 8.380 nan 0.000 0.491 611 D N 0.487 120.829 120.400 -0.097 0.000 2.492 611 D HA 0.164 4.804 4.640 -0.000 0.000 0.248 611 D C 0.565 176.848 176.300 -0.029 0.000 1.101 611 D CA -0.613 53.375 54.000 -0.020 0.000 0.840 611 D CB 1.412 42.221 40.800 0.015 0.000 1.209 611 D HN 0.280 nan 8.370 nan 0.000 0.524 612 D N 2.484 122.873 120.400 -0.018 0.000 2.178 612 D HA 0.083 4.723 4.640 -0.000 0.000 0.217 612 D C 0.535 176.829 176.300 -0.010 0.000 0.992 612 D CA 0.784 54.773 54.000 -0.017 0.000 0.895 612 D CB 0.151 40.944 40.800 -0.012 0.000 1.031 612 D HN 0.351 nan 8.370 nan 0.000 0.453 613 L N -0.508 120.712 121.223 -0.005 0.000 2.479 613 L HA 0.160 4.500 4.340 -0.000 0.000 0.248 613 L C 1.210 178.074 176.870 -0.011 0.000 1.205 613 L CA 0.291 55.128 54.840 -0.004 0.000 0.817 613 L CB 0.516 42.574 42.059 -0.002 0.000 1.162 613 L HN 0.286 nan 8.230 nan 0.000 0.486 614 T N -0.509 114.037 114.554 -0.013 0.000 8.985 614 T HA -0.277 4.073 4.350 -0.000 0.000 0.339 614 T C 0.924 175.603 174.700 -0.035 0.000 1.929 614 T CA 1.650 63.730 62.100 -0.032 0.000 2.929 614 T CB -1.467 67.369 68.868 -0.053 0.000 2.454 614 T HN 1.324 nan 8.240 nan 0.000 1.140 615 G N 0.583 109.372 108.800 -0.018 0.000 4.677 615 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 615 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 615 G C -0.131 174.760 174.900 -0.015 0.000 1.506 615 G CA 0.847 45.940 45.100 -0.011 0.000 1.016 615 G HN 1.107 nan 8.290 nan 0.000 0.653 616 Q N -0.116 119.667 119.800 -0.028 0.000 2.507 616 Q HA 0.599 4.938 4.340 -0.000 0.000 0.248 616 Q C -0.483 175.495 176.000 -0.037 0.000 0.941 616 Q CA 0.150 55.943 55.803 -0.016 0.000 1.003 616 Q CB 1.327 30.064 28.738 -0.001 0.000 1.517 616 Q HN 1.530 nan 8.270 nan 0.000 0.443 617 A N 2.121 124.930 122.820 -0.018 0.000 2.252 617 A HA 0.760 5.080 4.320 -0.000 0.000 0.305 617 A C -0.689 176.889 177.584 -0.011 0.000 1.097 617 A CA -0.432 51.583 52.037 -0.037 0.000 0.849 617 A CB 1.162 20.148 19.000 -0.022 0.000 1.142 617 A HN 0.445 nan 8.150 nan 0.000 0.499 618 V N 1.069 120.965 119.914 -0.029 0.000 2.328 618 V HA 0.563 4.683 4.120 -0.000 0.000 0.278 618 V C 0.365 176.464 176.094 0.008 0.000 1.021 618 V CA 0.044 62.343 62.300 -0.002 0.000 0.838 618 V CB 0.605 32.417 31.823 -0.019 0.000 0.999 618 V HN 1.076 nan 8.190 nan 0.000 0.447 619 A N 4.543 127.389 122.820 0.042 0.000 2.318 619 A HA 0.918 5.238 4.320 -0.000 0.000 0.317 619 A C -0.079 177.548 177.584 0.071 0.000 1.159 619 A CA -0.417 51.632 52.037 0.020 0.000 0.799 619 A CB 1.392 20.407 19.000 0.025 0.000 1.194 619 A HN 1.151 nan 8.150 nan 0.000 0.479 620 A N 1.962 124.785 122.820 0.006 0.000 2.303 620 A HA 0.722 5.042 4.320 -0.000 0.000 0.320 620 A C -1.115 176.476 177.584 0.011 0.000 1.192 620 A CA -0.407 51.674 52.037 0.074 0.000 0.821 620 A CB 0.152 19.179 19.000 0.045 0.000 1.188 620 A HN 0.664 nan 8.150 nan 0.000 0.492 621 F N 2.943 122.888 119.950 -0.007 0.000 2.423 621 F HA 0.348 4.875 4.527 -0.000 0.000 0.356 621 F C 0.341 176.135 175.800 -0.011 0.000 1.170 621 F CA -0.113 57.881 58.000 -0.010 0.000 1.163 621 F CB 0.977 39.970 39.000 -0.011 0.000 1.318 621 F HN 0.274 nan 8.300 nan 0.000 0.569 622 V N 4.360 124.317 119.914 0.071 0.000 2.509 622 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 622 V C -0.308 175.807 176.094 0.036 0.000 1.047 622 V CA -0.847 61.479 62.300 0.043 0.000 0.952 622 V CB 1.857 33.681 31.823 0.002 0.000 0.988 622 V HN 0.369 nan 8.190 nan 0.000 0.469 623 V N 6.806 126.733 119.914 0.023 0.000 2.407 623 V HA 0.504 4.623 4.120 -0.000 0.000 0.291 623 V C -0.257 175.828 176.094 -0.016 0.000 1.018 623 V CA -0.427 61.876 62.300 0.005 0.000 0.842 623 V CB 1.370 33.193 31.823 -0.000 0.000 0.996 623 V HN 0.753 nan 8.190 nan 0.000 0.426 624 L N 5.390 126.600 121.223 -0.022 0.000 2.452 624 L HA 0.407 4.746 4.340 -0.000 0.000 0.267 624 L C 0.788 177.633 176.870 -0.041 0.000 1.188 624 L CA -0.146 54.673 54.840 -0.034 0.000 0.821 624 L CB 0.428 42.466 42.059 -0.036 0.000 1.102 624 L HN 0.649 nan 8.230 nan 0.000 0.470 639 Q N 0.630 120.408 119.800 -0.037 0.000 2.959 639 Q HA 0.080 4.420 4.340 -0.000 0.000 0.288 639 Q C -0.827 175.145 176.000 -0.047 0.000 0.911 639 Q CA -0.392 55.388 55.803 -0.039 0.000 0.800 639 Q CB 1.402 30.123 28.738 -0.028 0.000 1.645 639 Q HN 0.252 nan 8.270 nan 0.000 0.454 640 D N 0.969 121.337 120.400 -0.053 0.000 3.018 640 D HA -0.221 4.419 4.640 -0.000 0.000 0.224 640 D C 0.398 176.643 176.300 -0.091 0.000 1.185 640 D CA 1.557 55.513 54.000 -0.074 0.000 0.858 640 D CB -0.381 40.387 40.800 -0.053 0.000 1.112 640 D HN 0.578 nan 8.370 nan 0.000 0.415 641 I N -0.238 120.283 120.570 -0.081 0.000 2.716 641 I HA -0.142 4.028 4.170 -0.000 0.000 0.259 641 I C 2.510 178.574 176.117 -0.089 0.000 1.172 641 I CA 0.452 61.699 61.300 -0.087 0.000 1.478 641 I CB -0.132 37.820 38.000 -0.081 0.000 1.104 641 I HN -0.005 nan 8.210 nan 0.000 0.439 642 K N 1.465 121.807 120.400 -0.097 0.000 1.991 642 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 642 K C 2.044 178.551 176.600 -0.155 0.000 1.045 642 K CA 1.093 57.321 56.287 -0.099 0.000 0.937 642 K CB -0.194 32.253 32.500 -0.089 0.000 0.720 642 K HN 0.142 nan 8.250 nan 0.000 0.438 643 K N 0.424 120.675 120.400 -0.249 0.000 2.077 643 K HA -0.277 4.043 4.320 -0.000 0.000 0.213 643 K C 2.285 178.367 176.600 -0.862 0.000 1.051 643 K CA 1.840 57.777 56.287 -0.584 0.000 0.929 643 K CB -0.451 31.660 32.500 -0.648 0.000 0.715 643 K HN 0.320 nan 8.250 nan 0.000 0.451 644 H N 1.323 120.037 119.070 -0.594 0.000 2.254 644 H HA -0.155 4.401 4.556 -0.000 0.000 0.294 644 H C 1.890 177.085 175.328 -0.223 0.000 1.071 644 H CA 1.670 57.481 56.048 -0.396 0.000 1.228 644 H CB -0.263 29.378 29.762 -0.201 0.000 1.358 644 H HN 0.039 nan 8.280 nan 0.000 0.495 645 L N 1.072 122.407 121.223 0.188 0.000 2.357 645 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 645 L C 2.810 179.701 176.870 0.035 0.000 1.123 645 L CA 0.804 55.732 54.840 0.146 0.000 0.782 645 L CB -1.055 41.048 42.059 0.074 0.000 0.910 645 L HN 0.215 nan 8.230 nan 0.000 0.442 646 V N -1.651 118.245 119.914 -0.030 0.000 2.500 646 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 646 V C 2.197 178.436 176.094 0.242 0.000 1.039 646 V CA 0.928 63.274 62.300 0.077 0.000 1.053 646 V CB -0.478 31.399 31.823 0.090 0.000 0.695 646 V HN 0.241 nan 8.190 nan 0.000 0.463 647 F N 0.092 120.000 119.950 -0.071 0.000 2.451 647 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 647 F C 2.624 178.354 175.800 -0.117 0.000 1.101 647 F CA 1.026 58.970 58.000 -0.095 0.000 1.436 647 F CB -0.230 38.696 39.000 -0.124 0.000 1.074 647 F HN 0.194 nan 8.300 nan 0.000 0.553 648 T N -0.377 114.197 114.554 0.033 0.000 3.014 648 T HA -0.032 4.318 4.350 -0.000 0.000 0.263 648 T C 1.928 176.648 174.700 0.033 0.000 1.078 648 T CA 0.563 62.654 62.100 -0.014 0.000 1.135 648 T CB -0.208 68.636 68.868 -0.040 0.000 0.895 648 T HN 0.017 nan 8.240 nan 0.000 0.480 649 V N 2.920 122.867 119.914 0.056 0.000 2.358 649 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 649 V C 2.718 178.842 176.094 0.049 0.000 1.047 649 V CA 2.111 64.443 62.300 0.053 0.000 1.035 649 V CB -0.623 31.235 31.823 0.059 0.000 0.658 649 V HN 0.597 nan 8.190 nan 0.000 0.452 650 R N 0.988 121.522 120.500 0.058 0.000 2.119 650 R HA -0.123 4.217 4.340 -0.000 0.000 0.222 650 R C 2.133 178.443 176.300 0.017 0.000 1.088 650 R CA 1.369 57.492 56.100 0.039 0.000 0.984 650 R CB -0.475 29.841 30.300 0.028 0.000 0.884 650 R HN 0.340 nan 8.270 nan 0.000 0.447 651 K N 1.436 121.846 120.400 0.017 0.000 2.103 651 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 651 K C 0.830 177.430 176.600 0.000 0.000 1.048 651 K CA 2.191 58.480 56.287 0.003 0.000 0.930 651 K CB 0.046 32.547 32.500 0.002 0.000 0.716 651 K HN 0.356 nan 8.250 nan 0.000 0.444 652 D N -1.907 118.497 120.400 0.006 0.000 2.473 652 D HA 0.106 4.746 4.640 -0.000 0.000 0.242 652 D C 1.328 177.628 176.300 -0.001 0.000 1.106 652 D CA 0.270 54.270 54.000 -0.001 0.000 0.854 652 D CB 0.352 41.153 40.800 0.001 0.000 1.192 652 D HN 0.134 nan 8.370 nan 0.000 0.503 653 I N 0.461 121.038 120.570 0.013 0.000 2.899 653 I HA 0.316 4.486 4.170 -0.000 0.000 0.257 653 I C 1.111 177.247 176.117 0.033 0.000 1.115 653 I CA 0.630 61.941 61.300 0.019 0.000 1.451 653 I CB 0.451 38.469 38.000 0.030 0.000 1.251 653 I HN 0.005 nan 8.210 nan 0.000 0.456 654 G N 0.305 109.131 108.800 0.042 0.000 2.329 654 G HA2 0.145 4.105 3.960 -0.000 0.000 0.308 654 G HA3 0.145 4.105 3.960 -0.000 0.000 0.308 654 G C -2.603 172.344 174.900 0.079 0.000 1.587 654 G CA -0.318 44.816 45.100 0.057 0.000 0.978 654 G HN -0.169 nan 8.290 nan 0.000 0.685 655 P HA 0.082 nan 4.420 nan 0.000 0.233 655 P C 0.833 178.260 177.300 0.211 0.000 1.167 655 P CA 0.659 63.824 63.100 0.108 0.000 0.770 655 P CB 0.193 31.935 31.700 0.070 0.000 0.837 656 F N 0.038 119.959 119.950 -0.048 0.000 2.660 656 F HA 0.436 4.962 4.527 -0.000 0.000 0.302 656 F C 1.860 177.618 175.800 -0.071 0.000 1.103 656 F CA -0.372 57.567 58.000 -0.101 0.000 1.340 656 F CB -0.184 38.693 39.000 -0.206 0.000 1.048 656 F HN -0.049 nan 8.300 nan 0.000 0.551 657 A N -0.763 122.109 122.820 0.086 0.000 2.226 657 A HA 0.610 4.929 4.320 -0.000 0.000 0.207 657 A C 1.219 178.818 177.584 0.026 0.000 1.293 657 A CA 0.372 52.437 52.037 0.045 0.000 0.968 657 A CB -0.493 18.550 19.000 0.071 0.000 1.044 657 A HN 0.048 nan 8.150 nan 0.000 0.493 658 A N 1.917 124.760 122.820 0.038 0.000 2.522 658 A HA 0.497 4.817 4.320 -0.000 0.000 0.256 658 A C -2.402 175.189 177.584 0.012 0.000 1.086 658 A CA -0.727 51.336 52.037 0.042 0.000 0.763 658 A CB -0.656 18.388 19.000 0.074 0.000 1.024 658 A HN 0.243 nan 8.150 nan 0.000 0.502 659 P HA 0.044 nan 4.420 nan 0.000 0.267 659 P C 0.562 177.853 177.300 -0.014 0.000 1.200 659 P CA -0.133 62.964 63.100 -0.006 0.000 0.772 659 P CB 0.530 32.230 31.700 -0.000 0.000 0.855 660 K N 1.468 121.850 120.400 -0.030 0.000 2.418 660 K HA 0.135 4.455 4.320 -0.000 0.000 0.195 660 K C 0.460 177.039 176.600 -0.034 0.000 1.035 660 K CA 0.626 56.894 56.287 -0.031 0.000 1.003 660 K CB -0.479 31.996 32.500 -0.042 0.000 0.793 660 K HN 0.482 nan 8.250 nan 0.000 0.494 661 L N -1.798 119.396 121.223 -0.048 0.000 2.787 661 L HA 0.473 4.813 4.340 -0.000 0.000 0.260 661 L C -0.839 175.961 176.870 -0.117 0.000 0.921 661 L CA -1.043 53.749 54.840 -0.080 0.000 0.984 661 L CB 1.093 43.096 42.059 -0.093 0.000 1.519 661 L HN -0.115 nan 8.230 nan 0.000 0.452 662 I N 0.749 121.243 120.570 -0.127 0.000 2.404 662 I HA 0.755 4.925 4.170 -0.000 0.000 0.293 662 I C -1.088 174.891 176.117 -0.229 0.000 0.992 662 I CA -0.732 60.474 61.300 -0.157 0.000 1.149 662 I CB 1.790 39.734 38.000 -0.092 0.000 1.315 662 I HN 0.516 nan 8.210 nan 0.000 0.446 663 I N 7.000 127.347 120.570 -0.371 0.000 2.377 663 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 663 I C -0.339 175.654 176.117 -0.207 0.000 0.987 663 I CA -0.564 60.491 61.300 -0.408 0.000 1.185 663 I CB 1.603 39.070 38.000 -0.888 0.000 1.341 663 I HN 0.433 nan 8.210 nan 0.000 0.455 664 L N 7.461 128.620 121.223 -0.107 0.000 2.282 664 L HA 0.446 4.786 4.340 -0.000 0.000 0.287 664 L C 0.043 176.947 176.870 0.056 0.000 1.075 664 L CA -0.329 54.496 54.840 -0.023 0.000 0.839 664 L CB 0.268 42.310 42.059 -0.027 0.000 1.219 664 L HN 0.424 nan 8.230 nan 0.000 0.434 665 V N -0.118 119.856 119.914 0.100 0.000 2.919 665 V HA 0.577 4.697 4.120 -0.000 0.000 0.316 665 V C 0.571 176.691 176.094 0.042 0.000 1.077 665 V CA -0.701 61.694 62.300 0.159 0.000 0.977 665 V CB 2.231 34.185 31.823 0.220 0.000 1.039 665 V HN 0.480 nan 8.190 nan 0.000 0.441 666 D N 1.250 121.602 120.400 -0.080 0.000 2.194 666 D HA 0.095 4.734 4.640 -0.000 0.000 0.204 666 D C 0.263 176.498 176.300 -0.109 0.000 0.964 666 D CA 2.089 56.010 54.000 -0.132 0.000 0.846 666 D CB 0.124 40.769 40.800 -0.258 0.000 0.962 666 D HN 1.009 nan 8.370 nan 0.000 0.490 667 D N -1.698 118.635 120.400 -0.113 0.000 2.851 667 D HA 0.274 4.914 4.640 -0.000 0.000 0.339 667 D C -1.192 175.070 176.300 -0.063 0.000 1.347 667 D CA -0.709 53.242 54.000 -0.081 0.000 0.888 667 D CB 0.747 41.489 40.800 -0.098 0.000 1.431 667 D HN -0.089 nan 8.370 nan 0.000 0.509 668 L N -0.567 120.614 121.223 -0.070 0.000 2.370 668 L HA 0.547 4.887 4.340 -0.000 0.000 0.266 668 L C -2.385 174.424 176.870 -0.101 0.000 1.002 668 L CA -2.140 52.650 54.840 -0.084 0.000 0.818 668 L CB 2.461 44.476 42.059 -0.073 0.000 1.325 668 L HN 0.237 nan 8.230 nan 0.000 0.418 669 P HA 0.112 nan 4.420 nan 0.000 0.264 669 P C -1.186 176.041 177.300 -0.122 0.000 1.236 669 P CA 0.135 63.163 63.100 -0.120 0.000 0.811 669 P CB 0.352 31.976 31.700 -0.127 0.000 0.840 670 K N 1.554 121.878 120.400 -0.125 0.000 2.281 670 K HA 0.507 4.827 4.320 -0.000 0.000 0.242 670 K C 0.529 177.026 176.600 -0.172 0.000 0.971 670 K CA -0.752 55.452 56.287 -0.138 0.000 0.834 670 K CB 1.511 33.934 32.500 -0.127 0.000 1.181 670 K HN 0.338 nan 8.250 nan 0.000 0.435 671 T N -1.456 112.978 114.554 -0.199 0.000 2.922 671 T HA 0.204 4.554 4.350 -0.000 0.000 0.285 671 T C 1.021 175.525 174.700 -0.327 0.000 1.005 671 T CA -0.804 61.140 62.100 -0.259 0.000 1.061 671 T CB 1.496 70.216 68.868 -0.245 0.000 1.007 671 T HN 0.584 nan 8.240 nan 0.000 0.502 672 R N 1.332 121.585 120.500 -0.412 0.000 2.276 672 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 672 R C 2.133 178.101 176.300 -0.553 0.000 1.161 672 R CA 1.745 57.542 56.100 -0.505 0.000 1.007 672 R CB -1.099 28.719 30.300 -0.803 0.000 0.867 672 R HN 0.713 nan 8.270 nan 0.000 0.472 673 S N -2.085 113.232 115.700 -0.638 0.000 2.414 673 S HA 0.186 4.656 4.470 -0.000 0.000 0.227 673 S C 1.404 175.651 174.600 -0.588 0.000 1.022 673 S CA 0.964 58.649 58.200 -0.859 0.000 0.958 673 S CB 0.485 63.053 63.200 -1.054 0.000 0.797 673 S HN 0.690 nan 8.310 nan 0.000 0.493 674 G N 0.293 108.874 108.800 -0.365 0.000 2.617 674 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.197 674 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.197 674 G C 0.258 175.062 174.900 -0.160 0.000 1.017 674 G CA -0.011 44.962 45.100 -0.212 0.000 0.713 674 G HN 0.768 nan 8.290 nan 0.000 0.481 675 K N 0.954 121.245 120.400 -0.182 0.000 2.527 675 K HA 0.562 4.882 4.320 -0.000 0.000 0.278 675 K C 0.439 176.980 176.600 -0.099 0.000 0.981 675 K CA 0.747 56.969 56.287 -0.109 0.000 1.009 675 K CB -0.148 32.293 32.500 -0.099 0.000 0.895 675 K HN 0.744 nan 8.250 nan 0.000 0.493 676 I N 2.292 122.822 120.570 -0.067 0.000 2.371 676 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 676 I C 0.738 176.812 176.117 -0.072 0.000 1.028 676 I CA -0.197 61.060 61.300 -0.071 0.000 1.345 676 I CB 1.215 39.185 38.000 -0.051 0.000 1.407 676 I HN 0.639 nan 8.210 nan 0.000 0.501 677 M N 6.718 126.263 119.600 -0.092 0.000 2.974 677 M HA 0.228 4.708 4.480 -0.000 0.000 0.301 677 M C 1.059 177.300 176.300 -0.098 0.000 1.409 677 M CA 0.099 55.346 55.300 -0.087 0.000 1.515 677 M CB -0.074 32.467 32.600 -0.099 0.000 1.163 677 M HN 0.525 nan 8.290 nan 0.000 0.520 678 R N 1.067 121.522 120.500 -0.074 0.000 2.148 678 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 678 R C 2.169 178.432 176.300 -0.062 0.000 1.088 678 R CA 1.013 57.065 56.100 -0.081 0.000 0.985 678 R CB -0.063 30.216 30.300 -0.036 0.000 0.880 678 R HN 0.608 nan 8.270 nan 0.000 0.451 679 R N 0.215 120.694 120.500 -0.036 0.000 2.285 679 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 679 R C 1.200 177.487 176.300 -0.022 0.000 1.068 679 R CA 1.179 57.272 56.100 -0.013 0.000 1.004 679 R CB -0.221 30.078 30.300 -0.002 0.000 0.873 679 R HN 0.093 nan 8.270 nan 0.000 0.467 680 I N 1.135 121.669 120.570 -0.062 0.000 2.585 680 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 680 I C 2.085 178.138 176.117 -0.107 0.000 1.129 680 I CA 0.751 62.007 61.300 -0.074 0.000 1.455 680 I CB -0.033 37.907 38.000 -0.100 0.000 1.111 680 I HN 0.103 nan 8.210 nan 0.000 0.433 681 L N -0.366 120.744 121.223 -0.189 0.000 2.156 681 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 681 L C 2.486 179.308 176.870 -0.079 0.000 1.095 681 L CA 1.010 55.653 54.840 -0.329 0.000 0.770 681 L CB -0.557 41.152 42.059 -0.584 0.000 0.914 681 L HN 0.177 nan 8.230 nan 0.000 0.439 682 R N 0.406 120.915 120.500 0.015 0.000 2.062 682 R HA -0.087 4.252 4.340 -0.000 0.000 0.213 682 R C 2.005 178.457 176.300 0.254 0.000 1.214 682 R CA 0.785 56.978 56.100 0.155 0.000 0.951 682 R CB -0.555 29.802 30.300 0.096 0.000 0.804 682 R HN 0.024 nan 8.270 nan 0.000 0.473 683 K N 0.478 120.964 120.400 0.144 0.000 2.248 683 K HA -0.250 4.070 4.320 -0.000 0.000 0.216 683 K C 0.256 177.034 176.600 0.296 0.000 0.902 683 K CA 2.022 58.393 56.287 0.140 0.000 0.975 683 K CB -0.242 32.298 32.500 0.067 0.000 1.016 683 K HN 0.191 nan 8.250 nan 0.000 0.508 684 I N -0.490 120.216 120.570 0.226 0.000 3.074 684 I HA 0.117 4.287 4.170 -0.000 0.000 0.310 684 I C -0.061 176.051 176.117 -0.008 0.000 1.153 684 I CA -0.912 60.507 61.300 0.199 0.000 0.993 684 I CB 1.956 40.017 38.000 0.102 0.000 1.237 684 I HN 0.054 nan 8.210 nan 0.000 0.443 685 L N 3.823 124.924 121.223 -0.204 0.000 2.858 685 L HA 0.392 4.732 4.340 -0.000 0.000 0.243 685 L C 0.277 177.147 176.870 0.001 0.000 1.416 685 L CA 0.142 54.911 54.840 -0.118 0.000 1.182 685 L CB -1.220 40.701 42.059 -0.230 0.000 1.564 685 L HN 0.714 nan 8.230 nan 0.000 0.436 701 P HA 0.076 nan 4.420 nan 0.000 0.271 701 P C 1.330 178.611 177.300 -0.032 0.000 1.228 701 P CA -0.090 62.981 63.100 -0.048 0.000 0.797 701 P CB 0.547 32.207 31.700 -0.067 0.000 0.914 702 G N 0.154 108.937 108.800 -0.028 0.000 2.462 702 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 702 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 702 G C 1.327 176.226 174.900 -0.003 0.000 1.121 702 G CA 0.401 45.495 45.100 -0.011 0.000 0.758 702 G HN 0.499 nan 8.290 nan 0.000 0.559 703 I N 0.446 120.997 120.570 -0.031 0.000 2.335 703 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 703 I C 2.667 178.786 176.117 0.004 0.000 1.129 703 I CA 0.422 61.701 61.300 -0.035 0.000 1.402 703 I CB -0.375 37.585 38.000 -0.067 0.000 1.069 703 I HN 0.045 nan 8.210 nan 0.000 0.424 704 V N 0.880 120.791 119.914 -0.006 0.000 2.216 704 V HA -0.310 3.809 4.120 -0.000 0.000 0.243 704 V C 2.667 178.778 176.094 0.029 0.000 1.044 704 V CA 2.157 64.457 62.300 0.000 0.000 0.995 704 V CB -0.727 31.087 31.823 -0.015 0.000 0.633 704 V HN 0.352 nan 8.190 nan 0.000 0.446 705 R N -0.129 120.389 120.500 0.031 0.000 2.115 705 R HA -0.241 4.099 4.340 -0.000 0.000 0.239 705 R C 2.461 178.794 176.300 0.056 0.000 1.133 705 R CA 2.268 58.387 56.100 0.032 0.000 0.935 705 R CB -1.268 29.048 30.300 0.026 0.000 0.853 705 R HN 0.711 nan 8.270 nan 0.000 0.433 706 H N -0.491 118.574 119.070 -0.009 0.000 2.457 706 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 706 H C 1.280 176.615 175.328 0.012 0.000 1.092 706 H CA 1.689 57.736 56.048 -0.002 0.000 1.309 706 H CB 0.125 29.885 29.762 -0.003 0.000 1.382 706 H HN 0.189 nan 8.280 nan 0.000 0.535 707 L N 0.487 121.834 121.223 0.207 0.000 2.509 707 L HA -0.016 4.324 4.340 -0.000 0.000 0.222 707 L C 2.176 179.097 176.870 0.084 0.000 1.123 707 L CA 0.335 55.280 54.840 0.174 0.000 0.856 707 L CB -0.133 41.989 42.059 0.106 0.000 0.985 707 L HN 0.265 nan 8.230 nan 0.000 0.456 708 I N -0.700 119.890 120.570 0.034 0.000 3.226 708 I HA -0.077 4.093 4.170 -0.000 0.000 0.277 708 I C 1.130 177.230 176.117 -0.027 0.000 1.243 708 I CA 0.808 62.108 61.300 0.000 0.000 1.459 708 I CB -0.433 37.564 38.000 -0.005 0.000 1.093 708 I HN 0.226 nan 8.210 nan 0.000 0.453 709 D N -0.317 120.050 120.400 -0.054 0.000 2.463 709 D HA 0.038 4.678 4.640 -0.000 0.000 0.237 709 D C 1.880 178.115 176.300 -0.108 0.000 1.013 709 D CA 0.509 54.453 54.000 -0.094 0.000 0.910 709 D CB 0.079 40.797 40.800 -0.136 0.000 1.080 709 D HN -0.065 nan 8.370 nan 0.000 0.498 710 S N 0.427 116.058 115.700 -0.114 0.000 2.723 710 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 710 S C 1.783 176.342 174.600 -0.068 0.000 0.967 710 S CA 0.463 58.610 58.200 -0.088 0.000 0.958 710 S CB -0.102 63.099 63.200 0.000 0.000 0.778 710 S HN 0.325 nan 8.310 nan 0.000 0.537 711 V N -3.162 116.715 119.914 -0.061 0.000 3.350 711 V HA 0.270 4.390 4.120 -0.000 0.000 0.246 711 V C 1.748 177.786 176.094 -0.094 0.000 1.363 711 V CA -0.250 61.998 62.300 -0.087 0.000 1.162 711 V CB -0.215 31.581 31.823 -0.045 0.000 0.947 711 V HN 0.043 nan 8.190 nan 0.000 0.454 712 K N 1.137 121.492 120.400 -0.076 0.000 2.026 712 K HA 0.085 4.405 4.320 -0.000 0.000 0.208 712 K C 1.081 177.641 176.600 -0.066 0.000 1.048 712 K CA 1.288 57.534 56.287 -0.067 0.000 0.929 712 K CB -0.510 31.956 32.500 -0.056 0.000 0.713 712 K HN 0.478 nan 8.250 nan 0.000 0.439 713 L N 0.000 121.181 121.223 -0.071 0.000 2.949 713 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 713 L CA 0.000 54.800 54.840 -0.066 0.000 0.813 713 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 713 L HN 0.000 nan 8.230 nan 0.000 0.502