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 1h7a_1_A DATA FIRST_RESID 27 DATA SEQUENCE SRVFPTQRDL MAGIVSKHIA KNMVPSFIMK AHESGIIHVH DIDYSPALPF DATA SEQUENCE TNCCLVDLKG MLENGFKLGN AQIETPKSIG VATAIMAQIT AQVASHQYGG DATA SEQUENCE TTFANVDKVL SPYVKRTYAK HIEDAEKWQI ADALNYAQSK TEKDVYDAFQ DATA SEQUENCE AYEYEVNTLF SSNGQTPFVT ITFGTGTDWT ERMIQKAILK NRIKGLGRDG DATA SEQUENCE ITPIFPKLVM FVEEGVNLYK DDPNYDIKQL ALECASKRMY PDIISAKNNK DATA SEQUENCE AITGSSVPVS PMGCRSFLSV WKDSTGNEIL DGRNNLGVVT LNLPRIALDS DATA SEQUENCE YIGTQFNEQK FVELFNERMD LCFEALMCRI SSLKGVKATV APILYQEGAF DATA SEQUENCE GVRLKPDDDI IELFKNGRSS VSLGYIGIHE LNILVGRDIG REILTKMNAH DATA SEQUENCE LKQWTERTGF AFSLYSTPAE NLCYRFCKLD TEKYGSVKDV TDKGWYTNSF DATA SEQUENCE HVSVEENITP FEKISREAPY HFIATGGHIS YVELPDMKNN LKGLEAVWDY DATA SEQUENCE AAQHLDYFGV NMPVDKCFTC GSTHEMTPTE NGFVCSICGE TDPKKMNTIR DATA SEQUENCE RTCAYLGNPN ERG 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.579 174.600 -0.035 0.000 1.055 27 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 27 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 28 R N 1.229 121.695 120.500 -0.058 0.000 2.265 28 R HA 0.418 4.757 4.340 -0.000 0.000 0.194 28 R C 0.266 176.464 176.300 -0.171 0.000 0.931 28 R CA 0.422 56.461 56.100 -0.103 0.000 1.032 28 R CB 0.214 30.448 30.300 -0.110 0.000 0.980 28 R HN 0.252 nan 8.270 nan 0.000 0.497 29 V N 2.482 122.328 119.914 -0.113 0.000 2.720 29 V HA -0.142 3.978 4.120 -0.000 0.000 0.307 29 V C 1.188 177.251 176.094 -0.051 0.000 1.071 29 V CA 0.403 62.642 62.300 -0.101 0.000 1.199 29 V CB 0.002 31.847 31.823 0.036 0.000 0.900 29 V HN 0.087 nan 8.190 nan 0.000 0.494 30 F N 5.056 125.032 119.950 0.043 0.000 2.027 30 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 30 F C 0.119 175.944 175.800 0.042 0.000 1.129 30 F CA 2.306 60.326 58.000 0.034 0.000 1.195 30 F CB -2.112 36.904 39.000 0.026 0.000 0.960 30 F HN 0.505 nan 8.300 nan 0.000 0.485 31 P HA -0.161 nan 4.420 nan 0.000 0.217 31 P C 1.643 179.017 177.300 0.122 0.000 1.148 31 P CA 2.300 65.513 63.100 0.188 0.000 0.834 31 P CB -0.280 31.564 31.700 0.240 0.000 0.783 32 T N -1.060 113.558 114.554 0.106 0.000 2.770 32 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 32 T C 1.834 176.558 174.700 0.039 0.000 1.039 32 T CA 1.009 63.139 62.100 0.050 0.000 1.142 32 T CB -0.585 68.302 68.868 0.031 0.000 0.868 32 T HN 0.086 nan 8.240 nan 0.000 0.435 33 Q N 1.041 120.876 119.800 0.057 0.000 2.077 33 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 33 Q C 2.579 178.607 176.000 0.046 0.000 0.989 33 Q CA 1.427 57.260 55.803 0.050 0.000 0.853 33 Q CB -0.331 28.461 28.738 0.090 0.000 0.907 33 Q HN 0.390 nan 8.270 nan 0.000 0.418 34 R N 0.519 121.062 120.500 0.071 0.000 2.081 34 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 34 R C 1.921 178.224 176.300 0.005 0.000 1.131 34 R CA 1.521 57.647 56.100 0.042 0.000 0.960 34 R CB -0.761 29.572 30.300 0.056 0.000 0.856 34 R HN 0.382 nan 8.270 nan 0.000 0.436 35 D N 0.667 121.069 120.400 0.003 0.000 2.104 35 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 35 D C 2.001 178.257 176.300 -0.074 0.000 0.994 35 D CA 0.749 54.725 54.000 -0.040 0.000 0.830 35 D CB 0.023 40.808 40.800 -0.025 0.000 0.959 35 D HN -0.021 nan 8.370 nan 0.000 0.452 36 L N 0.014 121.210 121.223 -0.045 0.000 2.021 36 L HA -0.234 4.105 4.340 -0.000 0.000 0.215 36 L C 2.499 179.335 176.870 -0.056 0.000 1.074 36 L CA 1.565 56.375 54.840 -0.050 0.000 0.760 36 L CB -0.812 41.231 42.059 -0.026 0.000 0.889 36 L HN 0.361 nan 8.230 nan 0.000 0.433 37 M N -0.971 118.605 119.600 -0.039 0.000 2.065 37 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 37 M C 2.291 178.555 176.300 -0.060 0.000 1.069 37 M CA 2.180 57.456 55.300 -0.039 0.000 1.110 37 M CB -0.484 32.103 32.600 -0.022 0.000 1.328 37 M HN 0.298 nan 8.290 nan 0.000 0.405 38 A N 0.094 122.868 122.820 -0.077 0.000 2.070 38 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 38 A C 2.238 179.726 177.584 -0.161 0.000 1.159 38 A CA 1.698 53.672 52.037 -0.105 0.000 0.656 38 A CB -1.242 17.688 19.000 -0.117 0.000 0.800 38 A HN 0.595 nan 8.150 nan 0.000 0.453 39 G N 0.183 108.881 108.800 -0.170 0.000 2.395 39 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 39 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 39 G C 1.353 176.185 174.900 -0.114 0.000 1.177 39 G CA 0.936 45.920 45.100 -0.192 0.000 0.794 39 G HN 0.327 nan 8.290 nan 0.000 0.532 40 I N 1.312 121.837 120.570 -0.075 0.000 2.163 40 I HA -0.129 4.041 4.170 -0.000 0.000 0.243 40 I C 2.987 179.094 176.117 -0.016 0.000 1.085 40 I CA 0.712 61.987 61.300 -0.041 0.000 1.347 40 I CB -1.348 36.627 38.000 -0.040 0.000 1.044 40 I HN 0.021 nan 8.210 nan 0.000 0.408 41 V N 0.376 120.273 119.914 -0.028 0.000 2.407 41 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 41 V C 2.637 178.746 176.094 0.026 0.000 1.055 41 V CA 1.843 64.148 62.300 0.008 0.000 1.049 41 V CB -0.702 31.113 31.823 -0.013 0.000 0.662 41 V HN 0.363 nan 8.190 nan 0.000 0.455 42 S N -0.642 115.035 115.700 -0.039 0.000 2.355 42 S HA -0.161 4.308 4.470 -0.000 0.000 0.222 42 S C 2.010 176.580 174.600 -0.050 0.000 1.031 42 S CA 1.273 59.440 58.200 -0.055 0.000 0.993 42 S CB -0.214 62.907 63.200 -0.131 0.000 0.859 42 S HN 0.571 nan 8.310 nan 0.000 0.453 43 K N 0.387 120.755 120.400 -0.052 0.000 2.097 43 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 43 K C 2.114 178.701 176.600 -0.022 0.000 1.049 43 K CA 1.156 57.411 56.287 -0.054 0.000 0.933 43 K CB -0.367 32.109 32.500 -0.040 0.000 0.717 43 K HN 0.520 nan 8.250 nan 0.000 0.442 44 H N 1.264 120.299 119.070 -0.059 0.000 2.321 44 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 44 H C 2.024 177.326 175.328 -0.043 0.000 1.087 44 H CA 1.571 57.592 56.048 -0.045 0.000 1.319 44 H CB 0.026 29.765 29.762 -0.037 0.000 1.379 44 H HN 0.111 nan 8.280 nan 0.000 0.501 45 I N 0.920 121.424 120.570 -0.111 0.000 2.361 45 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 45 I C 2.937 178.962 176.117 -0.153 0.000 1.133 45 I CA 0.867 62.080 61.300 -0.144 0.000 1.413 45 I CB -0.383 37.594 38.000 -0.037 0.000 1.073 45 I HN 0.287 nan 8.210 nan 0.000 0.424 46 A N 0.593 123.335 122.820 -0.130 0.000 1.898 46 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 46 A C 2.220 179.714 177.584 -0.150 0.000 1.181 46 A CA 1.456 53.413 52.037 -0.132 0.000 0.620 46 A CB -0.359 18.557 19.000 -0.140 0.000 0.819 46 A HN 0.153 nan 8.150 nan 0.000 0.442 47 K N 0.518 120.820 120.400 -0.165 0.000 2.160 47 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 47 K C 1.438 177.944 176.600 -0.157 0.000 1.047 47 K CA 2.016 58.213 56.287 -0.151 0.000 0.930 47 K CB -0.430 31.977 32.500 -0.154 0.000 0.720 47 K HN 0.770 nan 8.250 nan 0.000 0.450 48 N N -1.432 117.150 118.700 -0.197 0.000 2.405 48 N HA 0.075 4.815 4.740 -0.000 0.000 0.175 48 N C 1.415 176.861 175.510 -0.107 0.000 1.051 48 N CA 0.434 53.390 53.050 -0.155 0.000 0.899 48 N CB 0.149 38.522 38.487 -0.190 0.000 1.000 48 N HN 0.078 nan 8.380 nan 0.000 0.451 49 M N 0.576 120.111 119.600 -0.108 0.000 2.429 49 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 49 M C 0.275 176.521 176.300 -0.090 0.000 1.120 49 M CA 0.468 55.718 55.300 -0.083 0.000 1.173 49 M CB 0.456 33.010 32.600 -0.076 0.000 1.343 49 M HN -0.161 nan 8.290 nan 0.000 0.464 50 V N 2.701 122.546 119.914 -0.116 0.000 2.521 50 V HA 0.106 4.226 4.120 -0.000 0.000 0.286 50 V C -2.134 173.876 176.094 -0.139 0.000 1.034 50 V CA -1.326 60.887 62.300 -0.145 0.000 1.045 50 V CB -0.165 31.550 31.823 -0.181 0.000 0.974 50 V HN 0.115 nan 8.190 nan 0.000 0.480 51 P HA -0.025 nan 4.420 nan 0.000 0.261 51 P C 1.059 178.278 177.300 -0.135 0.000 1.173 51 P CA 0.493 63.535 63.100 -0.096 0.000 0.760 51 P CB 0.545 32.192 31.700 -0.088 0.000 0.783 52 S N 3.685 119.389 115.700 0.005 0.000 2.381 52 S HA -0.244 4.226 4.470 -0.000 0.000 0.230 52 S C 1.629 176.255 174.600 0.043 0.000 1.052 52 S CA 2.062 60.277 58.200 0.026 0.000 1.068 52 S CB -0.973 62.273 63.200 0.076 0.000 0.918 52 S HN 0.544 nan 8.310 nan 0.000 0.448 53 F N 0.939 120.891 119.950 0.004 0.000 2.269 53 F HA 0.126 4.653 4.527 -0.000 0.000 0.301 53 F C 1.765 177.577 175.800 0.020 0.000 1.082 53 F CA 0.819 58.828 58.000 0.014 0.000 1.360 53 F CB -0.637 38.370 39.000 0.012 0.000 1.041 53 F HN 0.232 nan 8.300 nan 0.000 0.512 54 I N -0.309 119.767 120.570 -0.824 0.000 2.333 54 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 54 I C 2.449 178.439 176.117 -0.212 0.000 1.106 54 I CA 0.796 61.740 61.300 -0.592 0.000 1.411 54 I CB -0.495 37.086 38.000 -0.697 0.000 1.082 54 I HN 0.174 nan 8.210 nan 0.000 0.420 55 M N 0.756 120.250 119.600 -0.175 0.000 2.086 55 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 55 M C 2.281 178.599 176.300 0.031 0.000 1.067 55 M CA 1.823 57.088 55.300 -0.058 0.000 1.116 55 M CB -0.919 31.640 32.600 -0.068 0.000 1.348 55 M HN 0.025 nan 8.290 nan 0.000 0.407 56 K N 0.300 120.713 120.400 0.022 0.000 2.044 56 K HA -0.084 4.236 4.320 -0.000 0.000 0.210 56 K C 1.964 178.612 176.600 0.081 0.000 1.049 56 K CA 1.886 58.210 56.287 0.062 0.000 0.927 56 K CB -0.603 31.946 32.500 0.081 0.000 0.713 56 K HN 0.348 nan 8.250 nan 0.000 0.443 57 A N -0.391 122.478 122.820 0.082 0.000 1.933 57 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 57 A C 2.070 179.727 177.584 0.122 0.000 1.175 57 A CA 2.059 54.159 52.037 0.104 0.000 0.628 57 A CB -0.818 18.245 19.000 0.104 0.000 0.814 57 A HN 0.551 nan 8.150 nan 0.000 0.444 58 H N 0.043 119.130 119.070 0.029 0.000 2.326 58 H HA -0.075 4.480 4.556 -0.000 0.000 0.301 58 H C 1.911 177.278 175.328 0.066 0.000 1.081 58 H CA 1.816 57.882 56.048 0.031 0.000 1.334 58 H CB 0.033 29.748 29.762 -0.078 0.000 1.385 58 H HN 0.415 nan 8.280 nan 0.000 0.504 59 E N -0.002 120.231 120.200 0.054 0.000 2.160 59 E HA -0.135 4.214 4.350 -0.000 0.000 0.195 59 E C 2.044 178.650 176.600 0.010 0.000 0.991 59 E CA 1.419 57.832 56.400 0.022 0.000 0.810 59 E CB -0.269 29.470 29.700 0.064 0.000 0.742 59 E HN 0.657 nan 8.360 nan 0.000 0.466 60 S N -1.348 114.381 115.700 0.048 0.000 2.540 60 S HA 0.341 4.811 4.470 -0.000 0.000 0.218 60 S C 1.420 176.091 174.600 0.119 0.000 0.977 60 S CA 0.424 58.670 58.200 0.077 0.000 0.918 60 S CB 0.691 63.943 63.200 0.086 0.000 0.806 60 S HN 0.294 nan 8.310 nan 0.000 0.496 61 G N 0.956 109.848 108.800 0.154 0.000 2.141 61 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 61 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 61 G C 0.440 175.450 174.900 0.182 0.000 0.982 61 G CA 0.319 45.617 45.100 0.330 0.000 0.662 61 G HN 0.453 nan 8.290 nan 0.000 0.527 62 I N 0.922 121.572 120.570 0.132 0.000 2.233 62 I HA 0.239 4.409 4.170 -0.000 0.000 0.243 62 I C 1.964 178.121 176.117 0.066 0.000 1.093 62 I CA 1.411 62.745 61.300 0.055 0.000 1.380 62 I CB -0.347 37.703 38.000 0.083 0.000 1.067 62 I HN 0.650 nan 8.210 nan 0.000 0.413 63 I N -3.472 117.222 120.570 0.207 0.000 3.445 63 I HA 0.549 4.719 4.170 -0.000 0.000 0.303 63 I C -0.675 175.749 176.117 0.511 0.000 1.129 63 I CA -0.870 60.620 61.300 0.317 0.000 0.989 63 I CB 2.139 40.274 38.000 0.225 0.000 1.314 63 I HN -0.060 nan 8.210 nan 0.000 0.488 64 H N 0.618 119.925 119.070 0.396 0.000 3.277 64 H HA 0.513 5.069 4.556 -0.000 0.000 0.329 64 H C -1.833 173.687 175.328 0.321 0.000 1.034 64 H CA -0.404 55.822 56.048 0.296 0.000 1.530 64 H CB 1.518 31.268 29.762 -0.021 0.000 1.837 64 H HN 0.487 nan 8.280 nan 0.000 0.493 65 V N 6.395 126.327 119.914 0.029 0.000 2.387 65 V HA 0.110 4.229 4.120 -0.000 0.000 0.260 65 V C 0.783 176.625 176.094 -0.421 0.000 1.054 65 V CA -0.389 61.775 62.300 -0.226 0.000 0.967 65 V CB -0.252 31.335 31.823 -0.392 0.000 1.036 65 V HN 0.786 nan 8.190 nan 0.000 0.481 66 H N 4.526 123.468 119.070 -0.214 0.000 2.771 66 H HA 0.062 4.618 4.556 -0.000 0.000 0.364 66 H C 0.513 175.660 175.328 -0.302 0.000 1.133 66 H CA 0.345 56.302 56.048 -0.151 0.000 1.423 66 H CB 0.608 30.364 29.762 -0.010 0.000 1.425 66 H HN 0.774 nan 8.280 nan 0.000 0.606 67 D N 1.514 121.781 120.400 -0.220 0.000 2.751 67 D HA -0.217 4.423 4.640 -0.000 0.000 0.233 67 D C 1.071 177.179 176.300 -0.320 0.000 1.149 67 D CA 0.311 54.070 54.000 -0.402 0.000 0.682 67 D CB -1.032 39.113 40.800 -1.091 0.000 1.068 67 D HN 0.425 nan 8.370 nan 0.000 0.429 68 I N 1.329 121.734 120.570 -0.274 0.000 3.083 68 I HA -0.187 3.983 4.170 -0.000 0.000 0.273 68 I C 1.709 177.720 176.117 -0.177 0.000 1.297 68 I CA 1.327 62.469 61.300 -0.263 0.000 1.452 68 I CB 0.060 37.835 38.000 -0.375 0.000 1.078 68 I HN 0.079 nan 8.210 nan 0.000 0.484 69 D N -2.086 118.230 120.400 -0.141 0.000 2.328 69 D HA -0.104 4.536 4.640 -0.000 0.000 0.221 69 D C 1.125 177.214 176.300 -0.352 0.000 1.072 69 D CA 0.627 54.519 54.000 -0.181 0.000 0.850 69 D CB -0.140 40.565 40.800 -0.158 0.000 0.922 69 D HN 0.382 nan 8.370 nan 0.000 0.516 70 Y N -0.051 120.099 120.300 -0.250 0.000 3.116 70 Y HA 0.254 4.804 4.550 -0.000 0.000 0.220 70 Y C 1.067 176.973 175.900 0.010 0.000 0.965 70 Y CA -0.246 57.720 58.100 -0.223 0.000 1.476 70 Y CB 0.212 38.376 38.460 -0.493 0.000 1.493 70 Y HN -0.119 nan 8.280 nan 0.000 0.423 71 S N 2.415 118.178 115.700 0.105 0.000 2.509 71 S HA 0.324 4.794 4.470 -0.000 0.000 0.297 71 S C -2.234 172.349 174.600 -0.028 0.000 1.118 71 S CA -1.848 56.424 58.200 0.120 0.000 1.074 71 S CB 1.224 64.527 63.200 0.172 0.000 1.038 71 S HN 0.046 nan 8.310 nan 0.000 0.498 72 P HA 0.227 nan 4.420 nan 0.000 0.257 72 P C 0.834 178.159 177.300 0.042 0.000 1.325 72 P CA 0.023 63.137 63.100 0.024 0.000 0.850 72 P CB 0.026 31.709 31.700 -0.028 0.000 1.324 73 A N 0.451 123.297 122.820 0.045 0.000 1.908 73 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 73 A C 1.263 178.896 177.584 0.082 0.000 1.181 73 A CA 1.209 53.271 52.037 0.042 0.000 0.627 73 A CB -0.704 18.312 19.000 0.027 0.000 0.818 73 A HN 0.269 nan 8.150 nan 0.000 0.445 74 L N -1.784 119.544 121.223 0.176 0.000 2.370 74 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 74 L C -2.519 174.437 176.870 0.144 0.000 1.002 74 L CA -2.279 52.634 54.840 0.123 0.000 0.818 74 L CB 2.241 44.382 42.059 0.138 0.000 1.325 74 L HN -0.108 nan 8.230 nan 0.000 0.418 75 P HA 0.090 nan 4.420 nan 0.000 0.238 75 P C -0.524 176.829 177.300 0.089 0.000 1.714 75 P CA 0.106 63.239 63.100 0.056 0.000 0.908 75 P CB -0.582 31.128 31.700 0.017 0.000 1.893 76 F N 0.582 120.643 119.950 0.186 0.000 2.435 76 F HA 0.270 4.797 4.527 -0.000 0.000 0.316 76 F C 1.893 177.715 175.800 0.036 0.000 1.220 76 F CA 0.334 58.425 58.000 0.152 0.000 1.241 76 F CB 0.223 39.374 39.000 0.252 0.000 1.234 76 F HN -0.020 nan 8.300 nan 0.000 0.569 77 T N -2.244 112.322 114.554 0.019 0.000 2.807 77 T HA 0.368 4.718 4.350 -0.000 0.000 0.277 77 T C 0.214 174.403 174.700 -0.853 0.000 1.006 77 T CA -0.736 61.204 62.100 -0.267 0.000 1.006 77 T CB 1.745 70.498 68.868 -0.192 0.000 1.274 77 T HN 0.449 nan 8.240 nan 0.000 0.569 78 N N -0.583 117.693 118.700 -0.707 0.000 2.308 78 N HA 0.212 4.952 4.740 -0.000 0.000 0.224 78 N C 0.737 175.957 175.510 -0.483 0.000 1.024 78 N CA 0.769 53.355 53.050 -0.774 0.000 1.118 78 N CB -0.416 37.869 38.487 -0.337 0.000 1.399 78 N HN 1.004 nan 8.380 nan 0.000 0.594 79 C N -1.270 117.837 119.300 -0.320 0.000 3.017 79 C HA 0.935 5.394 4.460 -0.000 0.000 0.380 79 C C 0.099 174.966 174.990 -0.205 0.000 1.583 79 C CA -0.974 57.908 59.018 -0.226 0.000 1.616 79 C CB 0.664 28.293 27.740 -0.186 0.000 2.145 79 C HN 0.804 nan 8.230 nan 0.000 0.466 80 C N -1.050 118.148 119.300 -0.170 0.000 3.034 80 C HA 0.571 5.031 4.460 -0.000 0.000 0.336 80 C C -1.632 173.260 174.990 -0.163 0.000 1.304 80 C CA -0.874 58.045 59.018 -0.164 0.000 1.197 80 C CB -0.175 27.539 27.740 -0.044 0.000 1.373 80 C HN 1.114 nan 8.230 nan 0.000 0.459 81 L N 2.487 123.620 121.223 -0.149 0.000 2.277 81 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 81 L C 0.061 176.851 176.870 -0.134 0.000 1.028 81 L CA -0.550 54.203 54.840 -0.146 0.000 0.835 81 L CB 1.461 43.469 42.059 -0.086 0.000 1.215 81 L HN 0.701 nan 8.230 nan 0.000 0.425 82 V N 1.931 121.684 119.914 -0.267 0.000 2.599 82 V HA -0.083 4.037 4.120 -0.000 0.000 0.300 82 V C 0.491 176.552 176.094 -0.056 0.000 1.034 82 V CA 0.016 62.188 62.300 -0.214 0.000 1.115 82 V CB 1.090 32.602 31.823 -0.519 0.000 0.934 82 V HN 0.669 nan 8.190 nan 0.000 0.485 83 D N 4.125 124.523 120.400 -0.002 0.000 2.558 83 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 83 D C 0.716 177.025 176.300 0.015 0.000 1.143 83 D CA -0.340 53.673 54.000 0.022 0.000 1.010 83 D CB 0.527 41.343 40.800 0.026 0.000 1.068 83 D HN 0.382 nan 8.370 nan 0.000 0.511 84 L N 3.511 124.786 121.223 0.086 0.000 2.093 84 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 84 L C 2.127 179.009 176.870 0.019 0.000 1.085 84 L CA 1.711 56.596 54.840 0.074 0.000 0.755 84 L CB -0.498 41.678 42.059 0.195 0.000 0.904 84 L HN 0.318 nan 8.230 nan 0.000 0.435 85 K N -0.835 119.601 120.400 0.060 0.000 2.063 85 K HA -0.136 4.183 4.320 -0.000 0.000 0.208 85 K C 1.998 178.624 176.600 0.043 0.000 1.048 85 K CA 1.665 57.995 56.287 0.072 0.000 0.928 85 K CB -0.762 31.780 32.500 0.070 0.000 0.713 85 K HN 0.394 nan 8.250 nan 0.000 0.442 86 G N 0.835 109.643 108.800 0.015 0.000 2.421 86 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 86 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 86 G C 1.473 176.348 174.900 -0.041 0.000 1.171 86 G CA 1.198 46.298 45.100 0.001 0.000 0.775 86 G HN 0.271 nan 8.290 nan 0.000 0.543 87 M N -0.049 119.457 119.600 -0.156 0.000 2.067 87 M HA 0.077 4.556 4.480 -0.000 0.000 0.260 87 M C 2.636 178.836 176.300 -0.167 0.000 1.069 87 M CA 1.167 56.248 55.300 -0.364 0.000 1.117 87 M CB -0.513 31.543 32.600 -0.907 0.000 1.334 87 M HN 0.105 nan 8.290 nan 0.000 0.407 88 L N -0.452 120.709 121.223 -0.104 0.000 2.083 88 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 88 L C 2.314 179.275 176.870 0.151 0.000 1.083 88 L CA 1.228 56.092 54.840 0.039 0.000 0.752 88 L CB -0.721 41.318 42.059 -0.033 0.000 0.899 88 L HN 0.387 nan 8.230 nan 0.000 0.433 89 E N 0.168 120.450 120.200 0.137 0.000 1.998 89 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 89 E C 0.902 177.574 176.600 0.119 0.000 1.003 89 E CA 0.842 57.325 56.400 0.139 0.000 0.829 89 E CB 0.209 29.965 29.700 0.093 0.000 0.777 89 E HN 0.438 nan 8.360 nan 0.000 0.460 90 N N -0.279 118.479 118.700 0.096 0.000 2.332 90 N HA 0.107 4.847 4.740 -0.000 0.000 0.282 90 N C 0.289 175.886 175.510 0.146 0.000 1.288 90 N CA 0.340 53.449 53.050 0.099 0.000 0.949 90 N CB 0.015 38.550 38.487 0.081 0.000 1.108 90 N HN 0.165 nan 8.380 nan 0.000 0.542 91 G N -1.305 107.588 108.800 0.153 0.000 2.671 91 G HA2 0.658 4.618 3.960 -0.000 0.000 0.275 91 G HA3 0.658 4.618 3.960 -0.000 0.000 0.275 91 G C -1.129 173.989 174.900 0.362 0.000 1.368 91 G CA -0.314 44.914 45.100 0.215 0.000 1.044 91 G HN 0.543 nan 8.290 nan 0.000 0.543 92 F N -2.699 117.250 119.950 -0.002 0.000 2.765 92 F HA 0.576 5.103 4.527 -0.000 0.000 0.313 92 F C -1.224 174.566 175.800 -0.017 0.000 1.136 92 F CA -1.541 56.453 58.000 -0.010 0.000 0.952 92 F CB 1.239 40.232 39.000 -0.012 0.000 1.268 92 F HN 0.577 nan 8.300 nan 0.000 0.441 93 K N 2.424 122.786 120.400 -0.064 0.000 2.183 93 K HA 0.727 5.047 4.320 -0.000 0.000 0.274 93 K C -1.910 174.588 176.600 -0.169 0.000 1.009 93 K CA -0.878 55.298 56.287 -0.184 0.000 0.888 93 K CB 1.472 33.933 32.500 -0.064 0.000 1.078 93 K HN 0.817 nan 8.250 nan 0.000 0.459 94 L N 5.287 126.344 121.223 -0.276 0.000 2.415 94 L HA 0.425 4.764 4.340 -0.000 0.000 0.268 94 L C 0.187 176.998 176.870 -0.097 0.000 0.984 94 L CA 0.822 55.577 54.840 -0.141 0.000 0.853 94 L CB 1.094 43.036 42.059 -0.196 0.000 1.215 94 L HN 0.962 nan 8.230 nan 0.000 0.419 95 G N 4.461 113.235 108.800 -0.044 0.000 2.557 95 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.292 95 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.292 95 G C 0.615 175.490 174.900 -0.042 0.000 1.162 95 G CA 0.451 45.535 45.100 -0.028 0.000 0.964 95 G HN 0.659 nan 8.290 nan 0.000 0.541 96 N N 1.795 120.465 118.700 -0.050 0.000 2.250 96 N HA 0.397 5.137 4.740 -0.000 0.000 0.190 96 N C 0.856 176.323 175.510 -0.072 0.000 1.116 96 N CA 0.808 53.828 53.050 -0.050 0.000 0.881 96 N CB 0.733 39.198 38.487 -0.037 0.000 1.006 96 N HN 0.984 nan 8.380 nan 0.000 0.491 97 A N 1.247 124.006 122.820 -0.101 0.000 2.309 97 A HA 0.240 4.560 4.320 -0.000 0.000 0.290 97 A C 0.152 177.621 177.584 -0.192 0.000 1.206 97 A CA -0.171 51.787 52.037 -0.132 0.000 0.850 97 A CB 0.482 19.397 19.000 -0.141 0.000 1.118 97 A HN 0.024 nan 8.150 nan 0.000 0.523 98 Q N 3.489 123.197 119.800 -0.154 0.000 2.566 98 Q HA 0.299 4.639 4.340 -0.000 0.000 0.221 98 Q C -0.303 175.580 176.000 -0.195 0.000 1.195 98 Q CA -0.248 55.456 55.803 -0.165 0.000 0.967 98 Q CB -0.370 28.316 28.738 -0.088 0.000 1.337 98 Q HN 0.595 nan 8.270 nan 0.000 0.553 99 I N 2.305 122.662 120.570 -0.355 0.000 2.813 99 I HA 0.039 4.209 4.170 -0.000 0.000 0.287 99 I C 0.797 176.836 176.117 -0.130 0.000 1.196 99 I CA 0.494 61.609 61.300 -0.309 0.000 1.421 99 I CB 0.258 37.924 38.000 -0.557 0.000 1.365 99 I HN 0.630 nan 8.210 nan 0.000 0.591 100 E N 2.861 123.031 120.200 -0.050 0.000 2.249 100 E HA 0.331 4.681 4.350 -0.000 0.000 0.263 100 E C -0.541 176.093 176.600 0.058 0.000 0.950 100 E CA -0.824 55.588 56.400 0.020 0.000 0.827 100 E CB 1.203 30.910 29.700 0.012 0.000 1.220 100 E HN 0.461 nan 8.360 nan 0.000 0.411 101 T N 3.592 118.203 114.554 0.094 0.000 2.871 101 T HA 0.055 4.405 4.350 -0.000 0.000 0.296 101 T C -2.286 172.475 174.700 0.102 0.000 0.998 101 T CA -0.810 61.367 62.100 0.129 0.000 1.162 101 T CB -0.083 68.893 68.868 0.179 0.000 0.947 101 T HN 0.151 nan 8.240 nan 0.000 0.536 102 P HA 0.118 nan 4.420 nan 0.000 0.264 102 P C 0.161 177.558 177.300 0.161 0.000 1.183 102 P CA -0.079 63.009 63.100 -0.021 0.000 0.763 102 P CB 0.458 31.955 31.700 -0.339 0.000 0.807 103 K N 0.504 120.968 120.400 0.106 0.000 2.399 103 K HA 0.269 4.589 4.320 -0.000 0.000 0.204 103 K C 0.009 176.672 176.600 0.106 0.000 1.023 103 K CA 0.023 56.380 56.287 0.117 0.000 1.127 103 K CB 0.290 32.829 32.500 0.066 0.000 0.856 103 K HN 0.473 nan 8.250 nan 0.000 0.514 104 S N -1.464 114.304 115.700 0.113 0.000 2.552 104 S HA 0.277 4.747 4.470 -0.000 0.000 0.272 104 S C 0.249 174.907 174.600 0.096 0.000 1.150 104 S CA -0.841 57.413 58.200 0.091 0.000 0.849 104 S CB 0.751 63.974 63.200 0.037 0.000 1.113 104 S HN -0.092 nan 8.310 nan 0.000 0.458 105 I N 2.625 123.266 120.570 0.118 0.000 2.252 105 I HA 0.030 4.200 4.170 -0.000 0.000 0.245 105 I C 2.310 178.422 176.117 -0.007 0.000 1.102 105 I CA 2.305 63.667 61.300 0.104 0.000 1.385 105 I CB -1.391 36.704 38.000 0.158 0.000 1.064 105 I HN 1.010 nan 8.210 nan 0.000 0.414 106 G N 0.016 108.816 108.800 -0.000 0.000 2.442 106 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.219 106 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.219 106 G C 1.756 176.608 174.900 -0.080 0.000 1.141 106 G CA 0.931 46.004 45.100 -0.046 0.000 0.763 106 G HN 0.323 nan 8.290 nan 0.000 0.554 107 V N 1.218 121.092 119.914 -0.066 0.000 2.515 107 V HA -0.046 4.074 4.120 -0.000 0.000 0.250 107 V C 3.224 179.235 176.094 -0.138 0.000 1.058 107 V CA 1.769 64.019 62.300 -0.082 0.000 1.064 107 V CB -0.476 31.312 31.823 -0.058 0.000 0.675 107 V HN 0.476 nan 8.190 nan 0.000 0.461 108 A N 0.728 123.426 122.820 -0.203 0.000 1.898 108 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 108 A C 2.361 179.778 177.584 -0.278 0.000 1.181 108 A CA 2.105 53.952 52.037 -0.318 0.000 0.620 108 A CB -0.869 17.825 19.000 -0.511 0.000 0.819 108 A HN 0.604 nan 8.150 nan 0.000 0.442 109 T N -3.089 111.291 114.554 -0.291 0.000 3.215 109 T HA 0.451 4.800 4.350 -0.000 0.000 0.254 109 T C 1.301 175.923 174.700 -0.131 0.000 1.149 109 T CA 1.041 62.938 62.100 -0.337 0.000 1.042 109 T CB 0.072 68.621 68.868 -0.531 0.000 0.966 109 T HN 0.440 nan 8.240 nan 0.000 0.534 110 A N 1.600 124.352 122.820 -0.113 0.000 1.909 110 A HA 0.419 4.738 4.320 -0.000 0.000 0.210 110 A C 2.114 179.678 177.584 -0.034 0.000 1.273 110 A CA 0.214 52.219 52.037 -0.054 0.000 0.654 110 A CB -0.510 18.456 19.000 -0.057 0.000 0.945 110 A HN 0.463 nan 8.150 nan 0.000 0.471 111 I N -0.164 120.378 120.570 -0.047 0.000 2.315 111 I HA -0.343 3.827 4.170 -0.000 0.000 0.251 111 I C 2.685 178.805 176.117 0.005 0.000 1.125 111 I CA 2.021 63.329 61.300 0.012 0.000 1.392 111 I CB -0.232 37.792 38.000 0.039 0.000 1.065 111 I HN 0.486 nan 8.210 nan 0.000 0.424 112 M N 0.517 120.053 119.600 -0.107 0.000 2.099 112 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 112 M C 2.428 178.730 176.300 0.003 0.000 1.067 112 M CA 2.097 57.255 55.300 -0.238 0.000 1.124 112 M CB -0.106 32.178 32.600 -0.526 0.000 1.353 112 M HN 0.244 nan 8.290 nan 0.000 0.410 113 A N -0.184 122.721 122.820 0.142 0.000 1.972 113 A HA -0.224 4.095 4.320 -0.000 0.000 0.219 113 A C 1.891 179.501 177.584 0.045 0.000 1.169 113 A CA 1.813 53.886 52.037 0.059 0.000 0.635 113 A CB -0.709 18.250 19.000 -0.069 0.000 0.810 113 A HN 0.701 nan 8.150 nan 0.000 0.446 114 Q N -0.650 119.182 119.800 0.053 0.000 2.123 114 Q HA 0.007 4.347 4.340 -0.000 0.000 0.199 114 Q C 1.935 178.004 176.000 0.115 0.000 0.966 114 Q CA 1.334 57.177 55.803 0.067 0.000 0.845 114 Q CB -0.218 28.552 28.738 0.053 0.000 0.907 114 Q HN 0.745 nan 8.270 nan 0.000 0.439 115 I N -0.022 120.640 120.570 0.153 0.000 2.252 115 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 115 I C 2.066 178.340 176.117 0.261 0.000 1.102 115 I CA 1.035 62.462 61.300 0.212 0.000 1.385 115 I CB -0.321 37.826 38.000 0.246 0.000 1.064 115 I HN 0.200 nan 8.210 nan 0.000 0.414 116 T N 0.934 115.684 114.554 0.327 0.000 2.699 116 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 116 T C 2.019 176.822 174.700 0.173 0.000 1.036 116 T CA 1.713 64.028 62.100 0.358 0.000 1.147 116 T CB -0.315 68.757 68.868 0.340 0.000 0.862 116 T HN 0.503 nan 8.240 nan 0.000 0.446 117 A N 1.193 124.090 122.820 0.127 0.000 1.855 117 A HA -0.105 4.214 4.320 -0.000 0.000 0.215 117 A C 2.386 180.039 177.584 0.115 0.000 1.191 117 A CA 1.111 53.206 52.037 0.098 0.000 0.613 117 A CB -0.583 18.469 19.000 0.086 0.000 0.829 117 A HN 0.310 nan 8.150 nan 0.000 0.442 118 Q N -0.252 119.626 119.800 0.129 0.000 2.135 118 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 118 Q C 2.306 178.431 176.000 0.208 0.000 0.981 118 Q CA 1.635 57.536 55.803 0.164 0.000 0.856 118 Q CB -0.654 28.142 28.738 0.098 0.000 0.902 118 Q HN 0.477 nan 8.270 nan 0.000 0.425 119 V N 0.727 120.701 119.914 0.100 0.000 2.323 119 V HA -0.175 3.944 4.120 -0.000 0.000 0.244 119 V C 2.321 178.447 176.094 0.053 0.000 1.041 119 V CA 1.485 63.803 62.300 0.030 0.000 1.025 119 V CB -0.922 30.875 31.823 -0.043 0.000 0.656 119 V HN 0.313 nan 8.190 nan 0.000 0.451 120 A N -0.452 122.391 122.820 0.039 0.000 2.024 120 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 120 A C 2.265 179.847 177.584 -0.003 0.000 1.164 120 A CA 2.185 54.212 52.037 -0.016 0.000 0.643 120 A CB -0.504 18.482 19.000 -0.023 0.000 0.806 120 A HN 0.524 nan 8.150 nan 0.000 0.451 121 S N -1.216 114.527 115.700 0.072 0.000 2.593 121 S HA 0.066 4.536 4.470 -0.000 0.000 0.217 121 S C 0.542 175.071 174.600 -0.118 0.000 0.966 121 S CA 0.400 58.608 58.200 0.012 0.000 0.914 121 S CB -0.265 62.941 63.200 0.009 0.000 0.776 121 S HN 0.784 nan 8.310 nan 0.000 0.523 122 H N 1.161 120.287 119.070 0.094 0.000 2.785 122 H HA 0.314 4.870 4.556 -0.000 0.000 0.268 122 H C 0.250 175.711 175.328 0.222 0.000 1.153 122 H CA -0.323 55.810 56.048 0.142 0.000 1.111 122 H CB 0.381 30.126 29.762 -0.029 0.000 1.633 122 H HN 0.464 nan 8.280 nan 0.000 0.576 123 Q N -0.524 119.405 119.800 0.215 0.000 2.472 123 Q HA 0.170 4.510 4.340 -0.000 0.000 0.281 123 Q C -0.965 174.854 176.000 -0.301 0.000 0.997 123 Q CA -1.180 54.638 55.803 0.024 0.000 0.828 123 Q CB 0.827 29.495 28.738 -0.116 0.000 1.443 123 Q HN 0.237 nan 8.270 nan 0.000 0.390 124 Y N -0.821 119.213 120.300 -0.443 0.000 2.495 124 Y HA 0.651 5.201 4.550 -0.000 0.000 0.293 124 Y C 0.176 175.768 175.900 -0.514 0.000 1.186 124 Y CA -0.168 57.438 58.100 -0.824 0.000 1.266 124 Y CB 0.171 37.869 38.460 -1.269 0.000 1.101 124 Y HN 0.667 nan 8.280 nan 0.000 0.517 125 G N -0.463 108.120 108.800 -0.362 0.000 2.714 125 G HA2 0.520 4.480 3.960 -0.000 0.000 0.292 125 G HA3 0.520 4.480 3.960 -0.000 0.000 0.292 125 G C -0.229 174.569 174.900 -0.170 0.000 1.308 125 G CA -0.662 44.313 45.100 -0.208 0.000 0.964 125 G HN 0.467 nan 8.290 nan 0.000 0.484 126 G N -1.154 107.606 108.800 -0.066 0.000 2.630 126 G HA2 0.444 4.404 3.960 -0.000 0.000 0.236 126 G HA3 0.444 4.404 3.960 -0.000 0.000 0.236 126 G C 0.131 174.990 174.900 -0.068 0.000 1.248 126 G CA 0.837 45.937 45.100 -0.000 0.000 0.844 126 G HN 0.968 nan 8.290 nan 0.000 0.588 127 T N -1.001 113.517 114.554 -0.060 0.000 2.881 127 T HA 0.646 4.996 4.350 -0.000 0.000 0.290 127 T C -0.422 174.185 174.700 -0.156 0.000 1.000 127 T CA -0.536 61.482 62.100 -0.137 0.000 0.978 127 T CB 1.690 70.476 68.868 -0.136 0.000 0.997 127 T HN 0.463 nan 8.240 nan 0.000 0.443 128 T N 4.388 118.784 114.554 -0.263 0.000 2.841 128 T HA 0.622 4.972 4.350 -0.000 0.000 0.283 128 T C -1.286 173.173 174.700 -0.401 0.000 1.000 128 T CA -0.345 61.625 62.100 -0.217 0.000 0.977 128 T CB 0.654 69.444 68.868 -0.130 0.000 0.979 128 T HN 0.513 nan 8.240 nan 0.000 0.446 129 F N 2.344 122.313 119.950 0.033 0.000 2.311 129 F HA 0.582 5.109 4.527 -0.000 0.000 0.371 129 F C 0.633 176.461 175.800 0.045 0.000 1.083 129 F CA -0.978 57.037 58.000 0.025 0.000 1.113 129 F CB 0.788 39.788 39.000 0.000 0.000 1.349 129 F HN 0.638 nan 8.300 nan 0.000 0.470 130 A N 3.232 126.150 122.820 0.163 0.000 2.362 130 A HA 0.402 4.722 4.320 -0.000 0.000 0.276 130 A C 0.472 178.171 177.584 0.191 0.000 1.153 130 A CA -0.404 51.732 52.037 0.164 0.000 0.813 130 A CB -0.344 18.730 19.000 0.123 0.000 1.081 130 A HN 0.935 nan 8.150 nan 0.000 0.507 131 N N 0.615 119.453 118.700 0.231 0.000 2.699 131 N HA -0.181 4.559 4.740 -0.000 0.000 0.257 131 N C 0.641 176.262 175.510 0.186 0.000 1.077 131 N CA 0.556 53.736 53.050 0.218 0.000 0.702 131 N CB -1.451 37.126 38.487 0.150 0.000 0.886 131 N HN 0.936 nan 8.380 nan 0.000 0.549 132 V N -2.040 118.000 119.914 0.210 0.000 2.515 132 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 132 V C 2.143 178.314 176.094 0.127 0.000 1.058 132 V CA 1.946 64.342 62.300 0.160 0.000 1.064 132 V CB -0.318 31.602 31.823 0.161 0.000 0.675 132 V HN 0.515 nan 8.190 nan 0.000 0.461 133 D N 1.223 121.688 120.400 0.109 0.000 2.116 133 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 133 D C 1.951 178.265 176.300 0.023 0.000 0.998 133 D CA 1.936 55.952 54.000 0.027 0.000 0.836 133 D CB -0.521 40.316 40.800 0.062 0.000 0.951 133 D HN 0.459 nan 8.370 nan 0.000 0.449 134 K N 0.008 120.440 120.400 0.054 0.000 2.186 134 K HA 0.076 4.396 4.320 -0.000 0.000 0.202 134 K C 2.310 178.932 176.600 0.036 0.000 1.052 134 K CA 0.441 56.743 56.287 0.026 0.000 0.965 134 K CB 0.199 32.719 32.500 0.032 0.000 0.746 134 K HN 0.121 nan 8.250 nan 0.000 0.457 135 V N 1.759 121.721 119.914 0.079 0.000 2.488 135 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 135 V C 2.082 178.275 176.094 0.165 0.000 1.046 135 V CA 1.283 63.648 62.300 0.107 0.000 1.053 135 V CB -0.278 31.618 31.823 0.122 0.000 0.679 135 V HN 0.232 nan 8.190 nan 0.000 0.458 136 L N -0.116 121.209 121.223 0.169 0.000 2.554 136 L HA 0.001 4.341 4.340 -0.000 0.000 0.226 136 L C 2.565 179.535 176.870 0.166 0.000 1.137 136 L CA 0.752 55.757 54.840 0.276 0.000 0.863 136 L CB -0.420 41.786 42.059 0.244 0.000 0.985 136 L HN 0.390 nan 8.230 nan 0.000 0.451 137 S N 1.288 116.993 115.700 0.008 0.000 2.368 137 S HA -0.149 4.320 4.470 -0.000 0.000 0.226 137 S C -0.271 174.208 174.600 -0.201 0.000 1.044 137 S CA 1.846 59.971 58.200 -0.125 0.000 1.062 137 S CB -0.773 62.332 63.200 -0.157 0.000 0.931 137 S HN 0.175 nan 8.310 nan 0.000 0.440 138 P HA -0.135 nan 4.420 nan 0.000 0.217 138 P C 0.617 177.640 177.300 -0.462 0.000 1.158 138 P CA 1.529 64.351 63.100 -0.464 0.000 0.887 138 P CB -0.244 31.012 31.700 -0.740 0.000 0.792 139 Y N -1.950 118.347 120.300 -0.005 0.000 2.574 139 Y HA -0.055 4.495 4.550 -0.000 0.000 0.294 139 Y C 2.158 178.076 175.900 0.030 0.000 1.142 139 Y CA 0.331 58.440 58.100 0.015 0.000 1.314 139 Y CB -1.275 37.191 38.460 0.010 0.000 0.991 139 Y HN -0.169 nan 8.280 nan 0.000 0.555 140 V N -0.241 119.709 119.914 0.061 0.000 2.599 140 V HA -0.143 3.976 4.120 -0.000 0.000 0.245 140 V C 2.008 178.146 176.094 0.073 0.000 1.046 140 V CA 1.194 63.524 62.300 0.051 0.000 1.065 140 V CB -0.244 31.513 31.823 -0.111 0.000 0.703 140 V HN 0.257 nan 8.190 nan 0.000 0.464 141 K N -0.141 120.243 120.400 -0.026 0.000 2.515 141 K HA -0.064 4.256 4.320 -0.000 0.000 0.196 141 K C 2.141 178.842 176.600 0.169 0.000 1.038 141 K CA 0.803 57.142 56.287 0.085 0.000 0.967 141 K CB 0.003 32.493 32.500 -0.017 0.000 0.780 141 K HN 0.361 nan 8.250 nan 0.000 0.483 142 R N -1.156 119.421 120.500 0.127 0.000 2.195 142 R HA 0.055 4.395 4.340 -0.000 0.000 0.197 142 R C 2.036 178.413 176.300 0.130 0.000 0.990 142 R CA 0.674 56.847 56.100 0.121 0.000 1.048 142 R CB 0.176 30.537 30.300 0.100 0.000 0.997 142 R HN -0.032 nan 8.270 nan 0.000 0.502 143 T N 0.214 114.865 114.554 0.161 0.000 2.867 143 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 143 T C 1.124 175.950 174.700 0.210 0.000 1.057 143 T CA 1.167 63.344 62.100 0.128 0.000 1.136 143 T CB -0.236 68.755 68.868 0.205 0.000 0.874 143 T HN 0.211 nan 8.240 nan 0.000 0.466 144 Y N 1.985 122.420 120.300 0.226 0.000 2.133 144 Y HA 0.057 4.607 4.550 -0.000 0.000 0.287 144 Y C 2.528 178.550 175.900 0.205 0.000 1.134 144 Y CA 0.877 59.154 58.100 0.295 0.000 1.133 144 Y CB -0.904 37.806 38.460 0.417 0.000 0.987 144 Y HN 0.167 nan 8.280 nan 0.000 0.502 145 A N 0.559 123.506 122.820 0.211 0.000 1.884 145 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 145 A C 2.259 179.848 177.584 0.007 0.000 1.197 145 A CA 2.494 54.589 52.037 0.097 0.000 0.637 145 A CB -0.838 18.234 19.000 0.121 0.000 0.827 145 A HN 0.537 nan 8.150 nan 0.000 0.450 146 K N -1.611 118.778 120.400 -0.019 0.000 2.113 146 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 146 K C 2.021 178.558 176.600 -0.104 0.000 1.047 146 K CA 1.606 57.840 56.287 -0.088 0.000 0.928 146 K CB -0.292 32.100 32.500 -0.181 0.000 0.716 146 K HN 0.648 nan 8.250 nan 0.000 0.446 147 H N -0.103 118.963 119.070 -0.007 0.000 2.436 147 H HA 0.003 4.558 4.556 -0.000 0.000 0.294 147 H C 2.089 177.433 175.328 0.027 0.000 1.048 147 H CA 0.735 56.785 56.048 0.004 0.000 1.353 147 H CB 0.185 29.873 29.762 -0.123 0.000 1.414 147 H HN 0.093 nan 8.280 nan 0.000 0.536 148 I N 1.080 121.628 120.570 -0.037 0.000 2.202 148 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 148 I C 2.334 178.475 176.117 0.041 0.000 1.091 148 I CA 0.978 62.241 61.300 -0.062 0.000 1.368 148 I CB -0.795 37.096 38.000 -0.182 0.000 1.058 148 I HN 0.281 nan 8.210 nan 0.000 0.410 149 E N 0.362 120.588 120.200 0.043 0.000 2.409 149 E HA -0.230 4.119 4.350 -0.000 0.000 0.198 149 E C 1.064 177.733 176.600 0.116 0.000 1.024 149 E CA 0.831 57.269 56.400 0.063 0.000 0.861 149 E CB 0.203 29.933 29.700 0.050 0.000 0.788 149 E HN 0.382 nan 8.360 nan 0.000 0.521 150 D N -0.687 119.819 120.400 0.177 0.000 2.323 150 D HA 0.095 4.735 4.640 -0.000 0.000 0.218 150 D C 1.609 178.047 176.300 0.230 0.000 0.973 150 D CA 0.916 55.085 54.000 0.281 0.000 0.890 150 D CB 0.074 41.078 40.800 0.340 0.000 1.011 150 D HN 0.189 nan 8.370 nan 0.000 0.499 151 A N 0.707 123.602 122.820 0.125 0.000 2.015 151 A HA -0.137 4.182 4.320 -0.000 0.000 0.219 151 A C 1.961 179.549 177.584 0.006 0.000 1.163 151 A CA 1.558 53.541 52.037 -0.090 0.000 0.646 151 A CB -0.294 18.681 19.000 -0.042 0.000 0.806 151 A HN 0.135 nan 8.150 nan 0.000 0.448 152 E N 0.344 120.575 120.200 0.052 0.000 2.371 152 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 152 E C 1.742 178.353 176.600 0.018 0.000 1.012 152 E CA 1.388 57.805 56.400 0.029 0.000 0.860 152 E CB -0.171 29.546 29.700 0.028 0.000 0.811 152 E HN 0.613 nan 8.360 nan 0.000 0.502 153 K N -0.930 119.507 120.400 0.061 0.000 2.202 153 K HA -0.006 4.313 4.320 -0.000 0.000 0.201 153 K C 0.550 177.021 176.600 -0.214 0.000 1.051 153 K CA 0.672 56.927 56.287 -0.053 0.000 0.977 153 K CB -0.108 32.398 32.500 0.010 0.000 0.792 153 K HN 0.137 nan 8.250 nan 0.000 0.469 154 W N 2.591 123.852 121.300 -0.066 0.000 3.325 154 W HA 0.259 4.919 4.660 -0.000 0.000 0.370 154 W C -0.488 175.976 176.519 -0.092 0.000 1.169 154 W CA -0.364 56.935 57.345 -0.078 0.000 1.874 154 W CB 0.417 29.818 29.460 -0.099 0.000 1.076 154 W HN 0.077 nan 8.180 nan 0.000 0.684 155 Q N 0.500 120.319 119.800 0.032 0.000 2.448 155 Q HA -0.205 4.135 4.340 -0.000 0.000 0.356 155 Q C -0.315 175.683 176.000 -0.003 0.000 1.430 155 Q CA 1.043 56.846 55.803 0.000 0.000 1.011 155 Q CB -1.965 26.764 28.738 -0.015 0.000 1.203 155 Q HN 0.434 nan 8.270 nan 0.000 0.351 156 I N -0.605 119.939 120.570 -0.043 0.000 2.428 156 I HA 0.302 4.472 4.170 -0.000 0.000 0.296 156 I C 1.679 177.761 176.117 -0.059 0.000 0.985 156 I CA -0.021 61.220 61.300 -0.099 0.000 1.260 156 I CB 1.386 39.209 38.000 -0.295 0.000 1.389 156 I HN 0.419 nan 8.210 nan 0.000 0.484 157 A N 4.729 127.525 122.820 -0.041 0.000 1.885 157 A HA -0.211 4.108 4.320 -0.000 0.000 0.215 157 A C 0.548 178.130 177.584 -0.004 0.000 1.255 157 A CA 1.523 53.551 52.037 -0.014 0.000 0.692 157 A CB -0.772 18.225 19.000 -0.005 0.000 0.842 157 A HN 0.793 nan 8.150 nan 0.000 0.465 158 D N -0.205 120.201 120.400 0.010 0.000 2.342 158 D HA 0.502 5.142 4.640 -0.000 0.000 0.260 158 D C 0.880 177.213 176.300 0.054 0.000 1.278 158 D CA 0.680 54.702 54.000 0.036 0.000 0.910 158 D CB 1.109 41.944 40.800 0.059 0.000 1.079 158 D HN 0.483 nan 8.370 nan 0.000 0.496 159 A N 2.520 125.366 122.820 0.043 0.000 1.839 159 A HA -0.116 4.204 4.320 -0.000 0.000 0.213 159 A C 1.724 179.358 177.584 0.084 0.000 1.274 159 A CA 0.574 52.643 52.037 0.053 0.000 0.608 159 A CB -0.722 18.299 19.000 0.034 0.000 0.920 159 A HN 0.502 nan 8.150 nan 0.000 0.465 160 L N 0.493 121.758 121.223 0.070 0.000 2.456 160 L HA -0.182 4.158 4.340 -0.000 0.000 0.225 160 L C 1.901 178.830 176.870 0.098 0.000 1.142 160 L CA 1.948 56.846 54.840 0.096 0.000 0.796 160 L CB -1.216 40.887 42.059 0.074 0.000 0.920 160 L HN 0.612 nan 8.230 nan 0.000 0.446 161 N N -2.467 116.287 118.700 0.091 0.000 2.432 161 N HA -0.129 4.610 4.740 -0.000 0.000 0.174 161 N C 1.741 177.314 175.510 0.105 0.000 1.037 161 N CA 0.164 53.262 53.050 0.080 0.000 0.892 161 N CB -0.018 38.507 38.487 0.062 0.000 1.049 161 N HN 0.280 nan 8.380 nan 0.000 0.442 162 Y N 1.367 121.657 120.300 -0.017 0.000 2.070 162 Y HA -0.044 4.506 4.550 -0.000 0.000 0.279 162 Y C 2.199 178.058 175.900 -0.068 0.000 1.134 162 Y CA 1.950 60.024 58.100 -0.044 0.000 1.113 162 Y CB -0.969 37.469 38.460 -0.037 0.000 0.981 162 Y HN 0.082 nan 8.280 nan 0.000 0.487 163 A N 0.918 123.738 122.820 -0.001 0.000 1.882 163 A HA -0.365 3.955 4.320 -0.000 0.000 0.220 163 A C 2.203 179.802 177.584 0.026 0.000 1.253 163 A CA 2.471 54.413 52.037 -0.157 0.000 0.664 163 A CB -1.276 17.472 19.000 -0.421 0.000 0.838 163 A HN 0.683 nan 8.150 nan 0.000 0.460 164 Q N -0.697 119.226 119.800 0.206 0.000 1.978 164 Q HA -0.257 4.082 4.340 -0.000 0.000 0.211 164 Q C 2.556 178.584 176.000 0.047 0.000 1.013 164 Q CA 2.178 58.083 55.803 0.168 0.000 0.869 164 Q CB -0.888 27.885 28.738 0.059 0.000 0.953 164 Q HN 0.682 nan 8.270 nan 0.000 0.415 165 S N 0.001 115.676 115.700 -0.042 0.000 2.377 165 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 165 S C 1.824 176.311 174.600 -0.188 0.000 1.042 165 S CA 1.662 59.803 58.200 -0.097 0.000 1.086 165 S CB -0.052 63.083 63.200 -0.108 0.000 0.995 165 S HN 0.211 nan 8.310 nan 0.000 0.428 166 K N 0.470 120.609 120.400 -0.436 0.000 2.034 166 K HA -0.103 4.217 4.320 -0.000 0.000 0.214 166 K C 2.318 178.711 176.600 -0.345 0.000 1.051 166 K CA 2.026 57.930 56.287 -0.639 0.000 0.931 166 K CB -1.597 29.988 32.500 -1.524 0.000 0.715 166 K HN 0.489 nan 8.250 nan 0.000 0.446 167 T N 1.016 115.478 114.554 -0.154 0.000 2.746 167 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 167 T C 1.881 176.688 174.700 0.179 0.000 1.039 167 T CA 1.575 63.794 62.100 0.198 0.000 1.142 167 T CB -0.123 69.043 68.868 0.496 0.000 0.866 167 T HN 0.390 nan 8.240 nan 0.000 0.444 168 E N 0.425 120.701 120.200 0.126 0.000 2.110 168 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 168 E C 2.128 178.798 176.600 0.117 0.000 0.988 168 E CA 1.120 57.593 56.400 0.122 0.000 0.804 168 E CB 0.039 29.783 29.700 0.073 0.000 0.745 168 E HN 0.205 nan 8.360 nan 0.000 0.458 169 K N 0.993 121.433 120.400 0.067 0.000 1.991 169 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 169 K C 1.512 178.204 176.600 0.153 0.000 1.045 169 K CA 2.014 58.353 56.287 0.087 0.000 0.937 169 K CB -0.462 32.040 32.500 0.003 0.000 0.720 169 K HN -0.004 nan 8.250 nan 0.000 0.438 170 D N -0.061 120.417 120.400 0.129 0.000 2.157 170 D HA -0.187 4.453 4.640 -0.000 0.000 0.191 170 D C 1.822 178.235 176.300 0.188 0.000 1.004 170 D CA 1.746 55.844 54.000 0.163 0.000 0.854 170 D CB -0.278 40.654 40.800 0.220 0.000 0.936 170 D HN 0.071 nan 8.370 nan 0.000 0.446 171 V N -0.191 119.856 119.914 0.221 0.000 2.427 171 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 171 V C 1.983 178.279 176.094 0.336 0.000 1.051 171 V CA 1.468 63.936 62.300 0.279 0.000 1.048 171 V CB -0.612 31.347 31.823 0.226 0.000 0.666 171 V HN 0.270 nan 8.190 nan 0.000 0.456 172 Y N 1.739 122.132 120.300 0.156 0.000 2.145 172 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 172 Y C 2.258 178.259 175.900 0.168 0.000 1.145 172 Y CA 2.153 60.340 58.100 0.145 0.000 1.148 172 Y CB -0.414 38.095 38.460 0.082 0.000 0.981 172 Y HN 0.350 nan 8.280 nan 0.000 0.507 173 D N 0.316 120.842 120.400 0.211 0.000 2.133 173 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 173 D C 2.274 178.580 176.300 0.011 0.000 0.997 173 D CA 1.697 55.748 54.000 0.085 0.000 0.840 173 D CB -0.621 40.247 40.800 0.113 0.000 0.947 173 D HN 0.493 nan 8.370 nan 0.000 0.452 174 A N -0.365 122.484 122.820 0.049 0.000 1.972 174 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 174 A C 1.711 179.146 177.584 -0.248 0.000 1.169 174 A CA 1.032 53.023 52.037 -0.076 0.000 0.635 174 A CB -0.725 18.241 19.000 -0.057 0.000 0.810 174 A HN 0.221 nan 8.150 nan 0.000 0.446 175 F N -0.872 119.044 119.950 -0.057 0.000 2.754 175 F HA 0.102 4.629 4.527 -0.000 0.000 0.297 175 F C 2.339 178.110 175.800 -0.049 0.000 1.122 175 F CA 0.861 58.835 58.000 -0.043 0.000 1.400 175 F CB 0.151 39.094 39.000 -0.094 0.000 1.117 175 F HN 0.341 nan 8.300 nan 0.000 0.587 176 Q N 0.328 120.109 119.800 -0.030 0.000 2.302 176 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 176 Q C 2.189 178.271 176.000 0.137 0.000 0.936 176 Q CA 0.966 56.765 55.803 -0.008 0.000 0.886 176 Q CB 0.091 28.717 28.738 -0.186 0.000 0.986 176 Q HN 0.349 nan 8.270 nan 0.000 0.487 177 A N 0.394 123.234 122.820 0.033 0.000 1.841 177 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 177 A C 1.868 179.484 177.584 0.053 0.000 1.195 177 A CA 1.265 53.318 52.037 0.026 0.000 0.611 177 A CB -1.202 17.779 19.000 -0.032 0.000 0.835 177 A HN 0.577 nan 8.150 nan 0.000 0.443 178 Y N 0.681 120.919 120.300 -0.104 0.000 2.053 178 Y HA -0.314 4.236 4.550 -0.000 0.000 0.277 178 Y C 2.431 178.324 175.900 -0.013 0.000 1.159 178 Y CA 2.676 60.710 58.100 -0.110 0.000 1.125 178 Y CB -0.548 37.771 38.460 -0.235 0.000 0.969 178 Y HN 0.505 nan 8.280 nan 0.000 0.492 179 E N -0.971 119.286 120.200 0.096 0.000 2.114 179 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 179 E C 1.939 178.454 176.600 -0.142 0.000 1.008 179 E CA 2.261 58.660 56.400 -0.002 0.000 0.810 179 E CB -0.643 29.072 29.700 0.025 0.000 0.739 179 E HN 0.656 nan 8.360 nan 0.000 0.456 180 Y N 0.493 120.747 120.300 -0.077 0.000 2.206 180 Y HA -0.014 4.536 4.550 -0.000 0.000 0.292 180 Y C 2.241 178.083 175.900 -0.095 0.000 1.123 180 Y CA 1.575 59.636 58.100 -0.064 0.000 1.142 180 Y CB -0.123 38.308 38.460 -0.048 0.000 1.006 180 Y HN 0.096 nan 8.280 nan 0.000 0.518 181 E N -0.574 119.632 120.200 0.011 0.000 2.209 181 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 181 E C 2.098 178.618 176.600 -0.133 0.000 0.993 181 E CA 1.362 57.722 56.400 -0.066 0.000 0.819 181 E CB -0.247 29.392 29.700 -0.101 0.000 0.745 181 E HN 0.226 nan 8.360 nan 0.000 0.477 182 V N 1.745 121.499 119.914 -0.267 0.000 2.809 182 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 182 V C 1.511 177.559 176.094 -0.076 0.000 1.080 182 V CA 1.210 63.367 62.300 -0.240 0.000 1.102 182 V CB -0.219 31.385 31.823 -0.364 0.000 0.705 182 V HN 0.307 nan 8.190 nan 0.000 0.475 183 N N -0.269 118.401 118.700 -0.049 0.000 2.280 183 N HA -0.008 4.731 4.740 -0.000 0.000 0.192 183 N C 1.589 177.163 175.510 0.106 0.000 1.109 183 N CA 1.183 54.245 53.050 0.020 0.000 0.855 183 N CB 0.723 39.184 38.487 -0.044 0.000 0.974 183 N HN 0.676 nan 8.380 nan 0.000 0.482 184 T N -2.896 111.717 114.554 0.099 0.000 2.955 184 T HA 0.291 4.641 4.350 -0.000 0.000 0.251 184 T C 0.791 175.559 174.700 0.113 0.000 1.002 184 T CA -0.190 61.972 62.100 0.104 0.000 0.970 184 T CB 0.364 69.266 68.868 0.056 0.000 1.091 184 T HN -0.126 nan 8.240 nan 0.000 0.495 185 L N 1.902 123.204 121.223 0.133 0.000 2.371 185 L HA 0.517 4.857 4.340 -0.000 0.000 0.272 185 L C -0.457 176.657 176.870 0.405 0.000 1.124 185 L CA -0.888 54.046 54.840 0.157 0.000 0.816 185 L CB 0.578 42.679 42.059 0.070 0.000 1.129 185 L HN 0.102 nan 8.230 nan 0.000 0.448 186 F N 0.501 120.453 119.950 0.004 0.000 2.507 186 F HA 0.398 4.925 4.527 -0.000 0.000 0.327 186 F C 0.667 176.475 175.800 0.013 0.000 1.068 186 F CA -0.708 57.299 58.000 0.012 0.000 0.965 186 F CB 2.022 41.035 39.000 0.021 0.000 1.192 186 F HN 0.319 nan 8.300 nan 0.000 0.476 187 S N -0.013 115.746 115.700 0.098 0.000 2.669 187 S HA 0.211 4.681 4.470 -0.000 0.000 0.270 187 S C 1.190 175.836 174.600 0.077 0.000 1.225 187 S CA 0.069 58.296 58.200 0.045 0.000 0.991 187 S CB 0.902 64.072 63.200 -0.049 0.000 0.987 187 S HN 0.728 nan 8.310 nan 0.000 0.552 188 S N 1.495 117.229 115.700 0.057 0.000 2.469 188 S HA -0.181 4.289 4.470 -0.000 0.000 0.238 188 S C 1.004 175.643 174.600 0.064 0.000 0.998 188 S CA 1.525 59.764 58.200 0.066 0.000 0.957 188 S CB -0.981 62.243 63.200 0.041 0.000 0.764 188 S HN 0.852 nan 8.310 nan 0.000 0.514 189 N N 0.328 119.048 118.700 0.034 0.000 2.370 189 N HA 0.314 5.054 4.740 -0.000 0.000 0.198 189 N C 0.943 176.456 175.510 0.004 0.000 1.156 189 N CA 0.124 53.187 53.050 0.021 0.000 0.839 189 N CB -0.174 38.322 38.487 0.016 0.000 0.989 189 N HN 0.488 nan 8.380 nan 0.000 0.468 190 G N 0.190 109.016 108.800 0.044 0.000 2.212 190 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.255 190 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.255 190 G C -0.600 174.026 174.900 -0.456 0.000 1.062 190 G CA -0.139 45.014 45.100 0.088 0.000 0.815 190 G HN 0.499 nan 8.290 nan 0.000 0.497 191 Q N -0.860 118.567 119.800 -0.621 0.000 2.456 191 Q HA 0.485 4.825 4.340 -0.000 0.000 0.284 191 Q C -0.336 175.274 176.000 -0.650 0.000 1.061 191 Q CA -0.775 54.568 55.803 -0.767 0.000 0.799 191 Q CB 1.701 30.264 28.738 -0.291 0.000 1.445 191 Q HN 0.180 nan 8.270 nan 0.000 0.411 192 T N 3.425 117.679 114.554 -0.500 0.000 2.916 192 T HA 0.164 4.514 4.350 -0.000 0.000 0.303 192 T C -2.347 172.282 174.700 -0.118 0.000 1.025 192 T CA -0.655 61.324 62.100 -0.201 0.000 1.142 192 T CB 0.124 68.931 68.868 -0.101 0.000 0.947 192 T HN 0.200 nan 8.240 nan 0.000 0.544 193 P HA 0.090 nan 4.420 nan 0.000 0.265 193 P C -0.571 176.557 177.300 -0.286 0.000 1.193 193 P CA -0.225 62.818 63.100 -0.096 0.000 0.765 193 P CB 0.180 31.850 31.700 -0.050 0.000 0.823 194 F N 3.122 122.682 119.950 -0.650 0.000 2.423 194 F HA 0.296 4.823 4.527 -0.000 0.000 0.356 194 F C 0.682 176.212 175.800 -0.451 0.000 1.170 194 F CA -0.567 56.830 58.000 -1.005 0.000 1.163 194 F CB 0.059 38.755 39.000 -0.507 0.000 1.318 194 F HN -0.019 nan 8.300 nan 0.000 0.569 195 V N 3.382 123.152 119.914 -0.241 0.000 2.680 195 V HA 0.691 4.811 4.120 -0.000 0.000 0.309 195 V C -0.470 175.735 176.094 0.186 0.000 1.052 195 V CA -0.136 62.202 62.300 0.064 0.000 0.908 195 V CB 2.383 34.302 31.823 0.160 0.000 1.001 195 V HN 0.654 nan 8.190 nan 0.000 0.431 196 T N 7.533 122.183 114.554 0.160 0.000 2.824 196 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 196 T C -0.985 173.813 174.700 0.164 0.000 0.993 196 T CA -0.270 61.903 62.100 0.122 0.000 0.967 196 T CB 1.150 70.046 68.868 0.047 0.000 0.960 196 T HN 0.435 nan 8.240 nan 0.000 0.441 197 I N 4.048 124.717 120.570 0.165 0.000 2.406 197 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 197 I C 0.697 176.903 176.117 0.148 0.000 0.999 197 I CA -0.632 60.801 61.300 0.223 0.000 1.124 197 I CB 1.498 39.664 38.000 0.276 0.000 1.289 197 I HN 0.775 nan 8.210 nan 0.000 0.441 198 T N 3.948 118.582 114.554 0.134 0.000 2.908 198 T HA 0.912 5.262 4.350 -0.000 0.000 0.290 198 T C -0.617 174.173 174.700 0.151 0.000 1.034 198 T CA -0.501 61.553 62.100 -0.076 0.000 1.010 198 T CB 2.292 71.066 68.868 -0.157 0.000 1.068 198 T HN 0.381 nan 8.240 nan 0.000 0.481 199 F N -2.173 117.820 119.950 0.070 0.000 3.052 199 F HA 0.843 5.369 4.527 -0.000 0.000 0.323 199 F C 0.767 176.683 175.800 0.193 0.000 1.178 199 F CA -0.553 57.529 58.000 0.135 0.000 0.892 199 F CB 0.718 39.743 39.000 0.043 0.000 1.416 199 F HN 1.094 nan 8.300 nan 0.000 0.488 200 G N -0.234 108.842 108.800 0.461 0.000 2.545 200 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.195 200 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.195 200 G C 0.432 175.467 174.900 0.225 0.000 1.009 200 G CA 0.073 45.371 45.100 0.331 0.000 0.703 200 G HN 1.503 nan 8.290 nan 0.000 0.479 201 T N -0.320 114.345 114.554 0.186 0.000 3.341 201 T HA 0.594 4.944 4.350 -0.000 0.000 0.234 201 T C 0.587 175.322 174.700 0.059 0.000 0.890 201 T CA 0.692 62.836 62.100 0.073 0.000 0.952 201 T CB 0.582 69.421 68.868 -0.049 0.000 1.146 201 T HN 1.516 nan 8.240 nan 0.000 0.591 202 G N -0.241 108.606 108.800 0.080 0.000 2.701 202 G HA2 0.510 4.470 3.960 -0.000 0.000 0.300 202 G HA3 0.510 4.470 3.960 -0.000 0.000 0.300 202 G C 0.174 175.101 174.900 0.046 0.000 1.410 202 G CA -0.754 44.373 45.100 0.046 0.000 1.014 202 G HN 0.228 nan 8.290 nan 0.000 0.509 203 T N -0.687 113.888 114.554 0.035 0.000 2.955 203 T HA 0.174 4.524 4.350 -0.000 0.000 0.251 203 T C 0.682 175.410 174.700 0.047 0.000 1.002 203 T CA -0.137 61.994 62.100 0.051 0.000 0.970 203 T CB 0.188 69.092 68.868 0.061 0.000 1.091 203 T HN 0.503 nan 8.240 nan 0.000 0.495 204 D N 1.730 122.136 120.400 0.011 0.000 2.515 204 D HA -0.110 4.530 4.640 -0.000 0.000 0.230 204 D C 1.201 177.493 176.300 -0.014 0.000 1.181 204 D CA -0.086 53.909 54.000 -0.008 0.000 0.875 204 D CB 0.545 41.279 40.800 -0.110 0.000 1.213 204 D HN 0.427 nan 8.370 nan 0.000 0.478 205 W N 2.567 123.847 121.300 -0.034 0.000 2.363 205 W HA -0.217 4.443 4.660 -0.000 0.000 0.296 205 W C 1.432 177.920 176.519 -0.051 0.000 1.212 205 W CA 1.778 59.095 57.345 -0.046 0.000 1.260 205 W CB -1.854 27.560 29.460 -0.077 0.000 1.131 205 W HN 0.436 nan 8.180 nan 0.000 0.530 206 T N -0.222 113.658 114.554 -1.123 0.000 2.708 206 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 206 T C 1.549 176.008 174.700 -0.402 0.000 1.037 206 T CA 1.882 63.388 62.100 -0.990 0.000 1.146 206 T CB -0.858 67.377 68.868 -1.054 0.000 0.865 206 T HN 0.306 nan 8.240 nan 0.000 0.435 207 E N 1.265 121.289 120.200 -0.293 0.000 2.085 207 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 207 E C 2.668 179.203 176.600 -0.108 0.000 0.994 207 E CA 0.998 57.307 56.400 -0.151 0.000 0.801 207 E CB -0.203 29.446 29.700 -0.085 0.000 0.743 207 E HN 0.530 nan 8.360 nan 0.000 0.453 208 R N 0.294 120.755 120.500 -0.065 0.000 2.092 208 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 208 R C 2.368 178.636 176.300 -0.054 0.000 1.119 208 R CA 1.166 57.255 56.100 -0.018 0.000 0.970 208 R CB -0.332 29.997 30.300 0.048 0.000 0.864 208 R HN 0.209 nan 8.270 nan 0.000 0.440 209 M N 0.828 120.393 119.600 -0.057 0.000 2.117 209 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 209 M C 2.013 178.211 176.300 -0.170 0.000 1.065 209 M CA 1.691 56.962 55.300 -0.050 0.000 1.114 209 M CB 0.002 32.609 32.600 0.012 0.000 1.361 209 M HN 0.065 nan 8.290 nan 0.000 0.408 210 I N -0.202 120.205 120.570 -0.272 0.000 2.179 210 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 210 I C 2.371 178.115 176.117 -0.622 0.000 1.088 210 I CA 1.435 62.401 61.300 -0.556 0.000 1.357 210 I CB -0.557 37.153 38.000 -0.483 0.000 1.051 210 I HN 0.406 nan 8.210 nan 0.000 0.409 211 Q N 0.763 120.303 119.800 -0.434 0.000 2.077 211 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 211 Q C 2.194 177.971 176.000 -0.371 0.000 0.989 211 Q CA 1.620 57.129 55.803 -0.491 0.000 0.853 211 Q CB -0.152 28.466 28.738 -0.200 0.000 0.907 211 Q HN 0.473 nan 8.270 nan 0.000 0.418 212 K N -0.006 120.274 120.400 -0.199 0.000 2.217 212 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 212 K C 2.082 178.626 176.600 -0.094 0.000 1.051 212 K CA 0.795 57.024 56.287 -0.097 0.000 0.952 212 K CB -0.054 32.431 32.500 -0.024 0.000 0.736 212 K HN 0.138 nan 8.250 nan 0.000 0.453 213 A N 1.864 124.575 122.820 -0.181 0.000 1.858 213 A HA -0.159 4.160 4.320 -0.000 0.000 0.216 213 A C 2.134 179.610 177.584 -0.180 0.000 1.190 213 A CA 1.286 53.244 52.037 -0.131 0.000 0.617 213 A CB -0.575 18.237 19.000 -0.313 0.000 0.827 213 A HN 0.141 nan 8.150 nan 0.000 0.443 214 I N -0.377 119.946 120.570 -0.412 0.000 2.142 214 I HA -0.276 3.893 4.170 -0.000 0.000 0.240 214 I C 2.440 178.486 176.117 -0.118 0.000 1.078 214 I CA 1.302 62.427 61.300 -0.292 0.000 1.343 214 I CB -0.378 37.286 38.000 -0.561 0.000 1.046 214 I HN 0.291 nan 8.210 nan 0.000 0.405 215 L N 0.233 121.375 121.223 -0.135 0.000 2.046 215 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 215 L C 2.555 179.466 176.870 0.068 0.000 1.077 215 L CA 1.453 56.299 54.840 0.009 0.000 0.747 215 L CB -0.508 41.564 42.059 0.021 0.000 0.896 215 L HN 0.135 nan 8.230 nan 0.000 0.432 216 K N 0.227 120.682 120.400 0.091 0.000 2.057 216 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 216 K C 1.866 178.604 176.600 0.230 0.000 1.049 216 K CA 1.612 58.002 56.287 0.171 0.000 0.931 216 K CB -0.128 32.511 32.500 0.231 0.000 0.714 216 K HN 0.233 nan 8.250 nan 0.000 0.440 217 N N -0.239 118.583 118.700 0.202 0.000 2.104 217 N HA -0.202 4.537 4.740 -0.000 0.000 0.190 217 N C 1.776 177.346 175.510 0.100 0.000 1.024 217 N CA 1.114 54.228 53.050 0.107 0.000 0.853 217 N CB 0.021 38.473 38.487 -0.059 0.000 1.008 217 N HN -0.002 nan 8.380 nan 0.000 0.424 218 R N 1.140 121.693 120.500 0.089 0.000 2.073 218 R HA 0.041 4.381 4.340 -0.000 0.000 0.234 218 R C 1.806 178.158 176.300 0.086 0.000 1.134 218 R CA 1.175 57.327 56.100 0.086 0.000 0.952 218 R CB -0.578 29.790 30.300 0.113 0.000 0.850 218 R HN 0.270 nan 8.270 nan 0.000 0.433 219 I N 0.660 121.287 120.570 0.095 0.000 2.208 219 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 219 I C 2.202 178.366 176.117 0.079 0.000 1.097 219 I CA 1.557 62.905 61.300 0.080 0.000 1.363 219 I CB -0.355 37.692 38.000 0.077 0.000 1.051 219 I HN 0.149 nan 8.210 nan 0.000 0.413 220 K N 1.559 122.025 120.400 0.110 0.000 2.113 220 K HA -0.080 4.239 4.320 -0.000 0.000 0.208 220 K C 0.743 177.395 176.600 0.088 0.000 1.047 220 K CA 1.404 57.762 56.287 0.119 0.000 0.928 220 K CB -0.521 32.098 32.500 0.199 0.000 0.716 220 K HN 0.489 nan 8.250 nan 0.000 0.446 221 G N -1.053 107.789 108.800 0.070 0.000 2.662 221 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 221 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 221 G C -1.738 173.169 174.900 0.011 0.000 1.271 221 G CA -0.374 44.748 45.100 0.037 0.000 0.816 221 G HN 0.347 nan 8.290 nan 0.000 0.608 222 L N 1.961 123.157 121.223 -0.046 0.000 2.264 222 L HA 0.729 5.069 4.340 -0.000 0.000 0.289 222 L C 1.107 177.960 176.870 -0.028 0.000 1.044 222 L CA 1.936 56.682 54.840 -0.158 0.000 0.807 222 L CB 0.725 42.642 42.059 -0.237 0.000 1.192 222 L HN 2.824 nan 8.230 nan 0.000 0.425 223 G N 4.305 113.190 108.800 0.143 0.000 2.760 223 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 223 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 223 G C 0.631 175.585 174.900 0.090 0.000 1.359 223 G CA 0.166 45.387 45.100 0.201 0.000 0.861 223 G HN 0.941 nan 8.290 nan 0.000 0.541 224 R N -0.165 120.353 120.500 0.030 0.000 2.119 224 R HA -0.158 4.182 4.340 -0.000 0.000 0.246 224 R C 1.214 177.452 176.300 -0.104 0.000 1.146 224 R CA 2.565 58.644 56.100 -0.035 0.000 0.962 224 R CB -0.336 29.928 30.300 -0.060 0.000 0.863 224 R HN 0.540 nan 8.270 nan 0.000 0.442 225 D N -0.947 119.344 120.400 -0.183 0.000 2.388 225 D HA 0.169 4.808 4.640 -0.000 0.000 0.221 225 D C 0.153 176.362 176.300 -0.152 0.000 1.133 225 D CA 0.663 54.467 54.000 -0.327 0.000 0.831 225 D CB 0.743 41.037 40.800 -0.843 0.000 0.962 225 D HN 0.427 nan 8.370 nan 0.000 0.502 226 G N 2.257 111.029 108.800 -0.046 0.000 2.357 226 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.282 226 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.282 226 G C 0.515 175.431 174.900 0.028 0.000 0.910 226 G CA 0.564 45.670 45.100 0.011 0.000 1.267 226 G HN 0.561 nan 8.290 nan 0.000 0.476 227 I N -2.382 118.206 120.570 0.029 0.000 2.834 227 I HA 0.585 4.755 4.170 -0.000 0.000 0.305 227 I C 0.613 176.747 176.117 0.028 0.000 1.008 227 I CA -0.853 60.489 61.300 0.070 0.000 1.273 227 I CB 1.118 39.185 38.000 0.111 0.000 1.432 227 I HN 0.004 nan 8.210 nan 0.000 0.557 228 T N 5.363 119.931 114.554 0.023 0.000 2.751 228 T HA 0.230 4.580 4.350 -0.000 0.000 0.290 228 T C -2.069 172.627 174.700 -0.008 0.000 0.919 228 T CA -0.582 61.520 62.100 0.004 0.000 1.136 228 T CB -0.189 68.668 68.868 -0.019 0.000 0.875 228 T HN 0.535 nan 8.240 nan 0.000 0.532 229 P HA 0.264 nan 4.420 nan 0.000 0.272 229 P C 0.435 177.721 177.300 -0.024 0.000 1.230 229 P CA -0.337 62.747 63.100 -0.026 0.000 0.788 229 P CB 1.181 32.857 31.700 -0.039 0.000 0.949 230 I N -0.504 120.014 120.570 -0.087 0.000 3.645 230 I HA 0.107 4.277 4.170 -0.000 0.000 0.300 230 I C 0.250 176.047 176.117 -0.533 0.000 1.260 230 I CA 0.770 61.918 61.300 -0.255 0.000 1.365 230 I CB 0.055 37.851 38.000 -0.340 0.000 1.077 230 I HN 0.173 nan 8.210 nan 0.000 0.439 231 F N 0.782 120.688 119.950 -0.073 0.000 2.631 231 F HA 0.436 4.963 4.527 -0.000 0.000 0.308 231 F C -2.537 173.212 175.800 -0.085 0.000 1.097 231 F CA -2.570 55.360 58.000 -0.117 0.000 0.952 231 F CB 1.538 40.435 39.000 -0.172 0.000 1.307 231 F HN -0.314 nan 8.300 nan 0.000 0.450 232 P HA 0.189 nan 4.420 nan 0.000 0.279 232 P C -1.049 176.224 177.300 -0.046 0.000 1.239 232 P CA -0.475 62.747 63.100 0.204 0.000 0.789 232 P CB 1.125 32.987 31.700 0.270 0.000 0.933 233 K N 2.001 122.303 120.400 -0.163 0.000 2.380 233 K HA 0.269 4.589 4.320 -0.000 0.000 0.267 233 K C 0.004 176.355 176.600 -0.414 0.000 0.990 233 K CA -0.134 55.664 56.287 -0.815 0.000 0.946 233 K CB 0.179 32.381 32.500 -0.497 0.000 0.937 233 K HN 0.466 nan 8.250 nan 0.000 0.491 234 L N 2.609 123.562 121.223 -0.450 0.000 2.343 234 L HA 0.371 4.710 4.340 -0.000 0.000 0.278 234 L C -0.925 175.894 176.870 -0.086 0.000 0.996 234 L CA -1.073 53.749 54.840 -0.031 0.000 0.831 234 L CB 1.647 43.830 42.059 0.206 0.000 1.232 234 L HN 0.266 nan 8.230 nan 0.000 0.413 235 V N 3.865 123.602 119.914 -0.295 0.000 2.407 235 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 235 V C 0.002 175.565 176.094 -0.884 0.000 1.018 235 V CA -0.401 61.639 62.300 -0.433 0.000 0.842 235 V CB 1.841 33.407 31.823 -0.428 0.000 0.996 235 V HN 0.811 nan 8.190 nan 0.000 0.426 236 M N 5.224 124.345 119.600 -0.799 0.000 2.238 236 M HA 0.627 5.107 4.480 -0.000 0.000 0.350 236 M C -1.511 174.461 176.300 -0.547 0.000 1.138 236 M CA -0.357 54.442 55.300 -0.835 0.000 1.040 236 M CB 1.184 33.510 32.600 -0.456 0.000 1.639 236 M HN 0.489 nan 8.290 nan 0.000 0.451 237 F N 4.299 124.106 119.950 -0.239 0.000 2.427 237 F HA 0.415 4.941 4.527 -0.000 0.000 0.352 237 F C 0.328 176.076 175.800 -0.087 0.000 1.100 237 F CA -0.331 57.590 58.000 -0.133 0.000 1.191 237 F CB 1.103 40.052 39.000 -0.084 0.000 1.128 237 F HN 0.406 nan 8.300 nan 0.000 0.533 238 V N 1.640 121.610 119.914 0.093 0.000 2.495 238 V HA 0.760 4.880 4.120 -0.000 0.000 0.298 238 V C -0.859 175.275 176.094 0.067 0.000 1.031 238 V CA -0.433 61.904 62.300 0.061 0.000 0.871 238 V CB 1.589 33.421 31.823 0.014 0.000 0.988 238 V HN 0.918 nan 8.190 nan 0.000 0.432 239 E N 2.859 123.093 120.200 0.057 0.000 2.366 239 E HA 0.367 4.717 4.350 -0.000 0.000 0.278 239 E C -0.956 175.666 176.600 0.036 0.000 0.923 239 E CA -0.735 55.690 56.400 0.042 0.000 0.761 239 E CB 2.212 31.941 29.700 0.048 0.000 1.231 239 E HN 0.995 nan 8.360 nan 0.000 0.443 240 E N 2.065 122.292 120.200 0.045 0.000 2.415 240 E HA 0.263 4.613 4.350 -0.000 0.000 0.260 240 E C 0.474 177.156 176.600 0.137 0.000 1.016 240 E CA 1.205 57.672 56.400 0.112 0.000 0.924 240 E CB 0.113 29.931 29.700 0.197 0.000 0.961 240 E HN 0.803 nan 8.360 nan 0.000 0.459 241 G N 2.442 111.347 108.800 0.176 0.000 2.159 241 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.227 241 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.227 241 G C 0.406 175.377 174.900 0.119 0.000 0.986 241 G CA 0.077 45.263 45.100 0.143 0.000 0.651 241 G HN 0.541 nan 8.290 nan 0.000 0.523 242 V N -1.304 118.684 119.914 0.123 0.000 3.744 242 V HA 0.222 4.342 4.120 -0.000 0.000 0.183 242 V C 1.651 177.828 176.094 0.139 0.000 1.397 242 V CA 0.937 63.306 62.300 0.116 0.000 1.244 242 V CB -0.076 31.802 31.823 0.092 0.000 1.227 242 V HN 0.183 nan 8.190 nan 0.000 0.569 243 N N 0.598 119.372 118.700 0.124 0.000 2.445 243 N HA 0.225 4.965 4.740 -0.000 0.000 0.204 243 N C 1.470 177.064 175.510 0.140 0.000 1.098 243 N CA 0.883 54.011 53.050 0.129 0.000 0.859 243 N CB 1.297 39.849 38.487 0.108 0.000 1.249 243 N HN 0.550 nan 8.380 nan 0.000 0.462 244 L N -2.453 118.811 121.223 0.069 0.000 2.693 244 L HA 0.465 4.804 4.340 -0.000 0.000 0.235 244 L C -0.738 176.145 176.870 0.022 0.000 1.127 244 L CA -0.154 54.689 54.840 0.005 0.000 0.914 244 L CB -0.049 41.884 42.059 -0.210 0.000 1.193 244 L HN -0.221 nan 8.230 nan 0.000 0.502 245 Y N 0.347 120.863 120.300 0.360 0.000 2.409 245 Y HA 0.438 4.987 4.550 -0.000 0.000 0.343 245 Y C 0.996 176.750 175.900 -0.242 0.000 0.973 245 Y CA -1.449 56.724 58.100 0.122 0.000 1.064 245 Y CB 1.814 40.309 38.460 0.059 0.000 1.207 245 Y HN -0.189 nan 8.280 nan 0.000 0.452 246 K N 0.390 120.468 120.400 -0.537 0.000 2.206 246 K HA -0.243 4.077 4.320 -0.000 0.000 0.211 246 K C 0.814 177.152 176.600 -0.436 0.000 1.047 246 K CA 2.323 58.036 56.287 -0.956 0.000 0.933 246 K CB -0.053 32.188 32.500 -0.430 0.000 0.721 246 K HN 0.651 nan 8.250 nan 0.000 0.471 247 D N 0.126 120.445 120.400 -0.136 0.000 2.301 247 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 247 D C -0.190 176.150 176.300 0.068 0.000 0.979 247 D CA 0.218 54.206 54.000 -0.021 0.000 0.874 247 D CB -0.164 40.633 40.800 -0.005 0.000 0.968 247 D HN 0.178 nan 8.370 nan 0.000 0.510 248 D N 1.639 122.122 120.400 0.137 0.000 2.515 248 D HA -0.057 4.583 4.640 -0.000 0.000 0.232 248 D C -1.349 175.059 176.300 0.180 0.000 1.157 248 D CA -0.669 53.437 54.000 0.175 0.000 0.871 248 D CB 0.687 41.624 40.800 0.227 0.000 1.200 248 D HN -0.020 nan 8.370 nan 0.000 0.466 249 P HA -0.152 nan 4.420 nan 0.000 0.213 249 P C 0.473 177.865 177.300 0.153 0.000 1.176 249 P CA 1.242 64.420 63.100 0.130 0.000 0.919 249 P CB 0.189 31.953 31.700 0.106 0.000 0.791 250 N N -1.595 117.196 118.700 0.152 0.000 2.416 250 N HA -0.047 4.692 4.740 -0.000 0.000 0.215 250 N C 1.005 176.613 175.510 0.163 0.000 1.208 250 N CA 0.052 53.188 53.050 0.142 0.000 0.834 250 N CB -0.845 37.716 38.487 0.123 0.000 1.072 250 N HN 0.301 nan 8.380 nan 0.000 0.472 251 Y N 2.289 122.648 120.300 0.098 0.000 2.352 251 Y HA -0.189 4.361 4.550 -0.000 0.000 0.292 251 Y C 1.737 177.696 175.900 0.098 0.000 1.136 251 Y CA 1.343 59.505 58.100 0.103 0.000 1.227 251 Y CB 0.177 38.700 38.460 0.104 0.000 0.991 251 Y HN 0.115 nan 8.280 nan 0.000 0.545 252 D N -0.047 120.446 120.400 0.154 0.000 2.144 252 D HA -0.226 4.414 4.640 -0.000 0.000 0.200 252 D C 2.076 178.383 176.300 0.012 0.000 0.978 252 D CA 1.576 55.626 54.000 0.084 0.000 0.833 252 D CB -0.894 39.972 40.800 0.111 0.000 0.961 252 D HN 0.497 nan 8.370 nan 0.000 0.470 253 I N 0.585 121.178 120.570 0.038 0.000 2.226 253 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 253 I C 2.705 178.852 176.117 0.050 0.000 1.100 253 I CA 1.000 62.333 61.300 0.055 0.000 1.374 253 I CB -0.274 37.779 38.000 0.088 0.000 1.057 253 I HN -0.004 nan 8.210 nan 0.000 0.413 254 K N 0.626 121.016 120.400 -0.015 0.000 2.063 254 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 254 K C 2.216 178.774 176.600 -0.069 0.000 1.048 254 K CA 1.408 57.691 56.287 -0.007 0.000 0.928 254 K CB 0.064 32.449 32.500 -0.193 0.000 0.713 254 K HN 0.231 nan 8.250 nan 0.000 0.442 255 Q N 0.505 120.191 119.800 -0.190 0.000 2.084 255 Q HA -0.157 4.182 4.340 -0.000 0.000 0.202 255 Q C 2.135 178.107 176.000 -0.047 0.000 0.978 255 Q CA 0.999 56.717 55.803 -0.141 0.000 0.844 255 Q CB -0.344 28.328 28.738 -0.111 0.000 0.898 255 Q HN 0.312 nan 8.270 nan 0.000 0.426 256 L N 0.598 121.822 121.223 0.003 0.000 2.093 256 L HA 0.005 4.344 4.340 -0.000 0.000 0.208 256 L C 2.065 178.982 176.870 0.077 0.000 1.085 256 L CA 1.830 56.692 54.840 0.037 0.000 0.755 256 L CB -0.824 41.263 42.059 0.046 0.000 0.904 256 L HN 0.100 nan 8.230 nan 0.000 0.435 257 A N -0.499 122.401 122.820 0.133 0.000 1.877 257 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 257 A C 2.111 179.844 177.584 0.248 0.000 1.186 257 A CA 1.763 53.965 52.037 0.274 0.000 0.620 257 A CB -0.807 18.441 19.000 0.413 0.000 0.822 257 A HN 0.399 nan 8.150 nan 0.000 0.443 258 L N -0.105 121.116 121.223 -0.003 0.000 2.083 258 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 258 L C 2.426 179.219 176.870 -0.128 0.000 1.083 258 L CA 2.120 56.771 54.840 -0.315 0.000 0.752 258 L CB -1.422 40.365 42.059 -0.454 0.000 0.899 258 L HN 0.642 nan 8.230 nan 0.000 0.433 259 E N -0.801 119.369 120.200 -0.049 0.000 2.017 259 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 259 E C 2.447 179.059 176.600 0.020 0.000 0.997 259 E CA 1.812 58.200 56.400 -0.020 0.000 0.804 259 E CB -0.064 29.636 29.700 -0.000 0.000 0.757 259 E HN 0.490 nan 8.360 nan 0.000 0.448 260 C N 0.679 120.020 119.300 0.068 0.000 2.367 260 C HA -0.227 4.233 4.460 -0.000 0.000 0.276 260 C C 2.975 178.031 174.990 0.111 0.000 1.195 260 C CA 1.869 60.949 59.018 0.103 0.000 1.756 260 C CB -1.277 26.555 27.740 0.155 0.000 2.046 260 C HN 0.616 nan 8.230 nan 0.000 0.453 261 A N 0.262 123.179 122.820 0.161 0.000 1.940 261 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 261 A C 2.317 179.936 177.584 0.058 0.000 1.176 261 A CA 2.572 54.711 52.037 0.169 0.000 0.631 261 A CB -1.048 18.170 19.000 0.364 0.000 0.814 261 A HN 1.012 nan 8.150 nan 0.000 0.446 262 S N -1.012 114.694 115.700 0.010 0.000 2.515 262 S HA 0.013 4.483 4.470 -0.000 0.000 0.231 262 S C 1.421 176.005 174.600 -0.027 0.000 0.987 262 S CA 1.163 59.346 58.200 -0.028 0.000 0.936 262 S CB -0.103 63.064 63.200 -0.055 0.000 0.766 262 S HN 0.635 nan 8.310 nan 0.000 0.528 263 K N 0.266 120.661 120.400 -0.008 0.000 2.391 263 K HA 0.295 4.615 4.320 -0.000 0.000 0.197 263 K C 0.799 177.392 176.600 -0.012 0.000 1.087 263 K CA -0.057 56.221 56.287 -0.014 0.000 1.012 263 K CB 0.510 33.010 32.500 -0.000 0.000 0.925 263 K HN 0.239 nan 8.250 nan 0.000 0.547 264 R N -0.288 120.212 120.500 0.001 0.000 2.534 264 R HA 0.267 4.607 4.340 -0.000 0.000 0.438 264 R C 0.148 176.417 176.300 -0.052 0.000 0.913 264 R CA -0.014 56.083 56.100 -0.005 0.000 1.130 264 R CB 0.388 30.717 30.300 0.049 0.000 1.611 264 R HN -0.010 nan 8.270 nan 0.000 0.571 265 M N -0.154 119.394 119.600 -0.086 0.000 2.813 265 M HA -0.324 4.156 4.480 -0.000 0.000 0.143 265 M C -0.614 175.594 176.300 -0.153 0.000 0.703 265 M CA 1.824 57.007 55.300 -0.194 0.000 0.548 265 M CB -1.201 31.158 32.600 -0.401 0.000 2.012 265 M HN 0.209 nan 8.290 nan 0.000 0.256 266 Y N 2.233 122.550 120.300 0.028 0.000 2.357 266 Y HA 0.401 4.951 4.550 -0.000 0.000 0.340 266 Y C -1.849 174.124 175.900 0.122 0.000 1.260 266 Y CA -1.725 56.411 58.100 0.060 0.000 1.425 266 Y CB -0.496 37.994 38.460 0.051 0.000 1.326 266 Y HN 0.208 nan 8.280 nan 0.000 0.580 267 P HA 0.076 nan 4.420 nan 0.000 0.281 267 P C -0.963 176.433 177.300 0.159 0.000 1.249 267 P CA -0.348 62.922 63.100 0.283 0.000 0.810 267 P CB 1.348 33.165 31.700 0.195 0.000 1.008 268 D N 1.136 121.623 120.400 0.144 0.000 2.348 268 D HA 0.416 5.055 4.640 -0.000 0.000 0.249 268 D C 0.431 176.635 176.300 -0.161 0.000 1.110 268 D CA -0.092 53.922 54.000 0.024 0.000 0.967 268 D CB 0.764 41.686 40.800 0.203 0.000 1.139 268 D HN 0.347 nan 8.370 nan 0.000 0.466 269 I N -2.463 117.964 120.570 -0.238 0.000 2.740 269 I HA 0.601 4.771 4.170 -0.000 0.000 0.303 269 I C -0.858 175.224 176.117 -0.059 0.000 1.044 269 I CA -0.920 60.184 61.300 -0.327 0.000 1.064 269 I CB 2.011 39.629 38.000 -0.637 0.000 1.249 269 I HN 0.109 nan 8.210 nan 0.000 0.433 270 I N 3.025 123.509 120.570 -0.142 0.000 2.498 270 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 270 I C 0.057 176.216 176.117 0.070 0.000 1.032 270 I CA -0.600 60.695 61.300 -0.009 0.000 1.073 270 I CB 2.265 40.160 38.000 -0.173 0.000 1.251 270 I HN 0.743 nan 8.210 nan 0.000 0.426 271 S N 5.136 120.883 115.700 0.079 0.000 2.414 271 S HA 0.259 4.729 4.470 -0.000 0.000 0.290 271 S C 1.190 175.843 174.600 0.089 0.000 1.160 271 S CA -0.038 58.199 58.200 0.061 0.000 1.069 271 S CB 0.968 64.181 63.200 0.023 0.000 1.012 271 S HN 0.746 nan 8.310 nan 0.000 0.510 272 A N 5.853 128.738 122.820 0.109 0.000 1.978 272 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 272 A C 2.165 179.759 177.584 0.016 0.000 1.170 272 A CA 1.637 53.709 52.037 0.059 0.000 0.636 272 A CB -0.485 18.523 19.000 0.014 0.000 0.810 272 A HN 0.866 nan 8.150 nan 0.000 0.448 273 K N -0.326 120.090 120.400 0.026 0.000 1.973 273 K HA -0.164 4.155 4.320 -0.000 0.000 0.212 273 K C 1.658 178.276 176.600 0.031 0.000 1.047 273 K CA 1.580 57.882 56.287 0.024 0.000 0.937 273 K CB -0.240 32.278 32.500 0.030 0.000 0.721 273 K HN 0.459 nan 8.250 nan 0.000 0.440 274 N N 1.303 120.026 118.700 0.039 0.000 2.244 274 N HA -0.181 4.558 4.740 -0.000 0.000 0.183 274 N C 1.537 177.022 175.510 -0.043 0.000 1.016 274 N CA 0.731 53.812 53.050 0.052 0.000 0.866 274 N CB -0.605 37.920 38.487 0.063 0.000 0.980 274 N HN 0.360 nan 8.380 nan 0.000 0.430 275 N N 1.726 120.398 118.700 -0.046 0.000 2.039 275 N HA -0.134 4.606 4.740 -0.000 0.000 0.193 275 N C 1.337 176.810 175.510 -0.062 0.000 1.044 275 N CA 1.224 54.222 53.050 -0.088 0.000 0.847 275 N CB 0.102 38.578 38.487 -0.018 0.000 1.030 275 N HN 0.182 nan 8.380 nan 0.000 0.422 276 K N 0.661 121.043 120.400 -0.031 0.000 2.032 276 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 276 K C 2.221 178.822 176.600 0.001 0.000 1.048 276 K CA 1.518 57.794 56.287 -0.020 0.000 0.927 276 K CB -0.292 32.195 32.500 -0.021 0.000 0.712 276 K HN 0.246 nan 8.250 nan 0.000 0.441 277 A N 1.367 124.199 122.820 0.020 0.000 1.873 277 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 277 A C 2.166 179.784 177.584 0.057 0.000 1.193 277 A CA 1.743 53.813 52.037 0.054 0.000 0.629 277 A CB -0.759 18.305 19.000 0.106 0.000 0.826 277 A HN 0.240 nan 8.150 nan 0.000 0.447 278 I N -0.125 120.454 120.570 0.014 0.000 2.353 278 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 278 I C 2.742 178.861 176.117 0.004 0.000 1.119 278 I CA 1.777 63.063 61.300 -0.023 0.000 1.417 278 I CB -0.475 37.396 38.000 -0.215 0.000 1.078 278 I HN 0.575 nan 8.210 nan 0.000 0.421 279 T N -2.349 112.202 114.554 -0.005 0.000 2.978 279 T HA 0.172 4.522 4.350 -0.000 0.000 0.262 279 T C 1.715 176.447 174.700 0.054 0.000 1.063 279 T CA 0.753 62.874 62.100 0.036 0.000 1.140 279 T CB 0.260 69.148 68.868 0.033 0.000 0.886 279 T HN 0.501 nan 8.240 nan 0.000 0.470 280 G N 0.748 109.571 108.800 0.039 0.000 2.176 280 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 280 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 280 G C 0.239 175.160 174.900 0.036 0.000 0.979 280 G CA 0.344 45.469 45.100 0.042 0.000 0.641 280 G HN 0.935 nan 8.290 nan 0.000 0.530 281 S N 0.133 115.853 115.700 0.033 0.000 2.584 281 S HA 0.577 5.047 4.470 -0.000 0.000 0.273 281 S C 1.797 176.397 174.600 0.001 0.000 1.311 281 S CA 0.797 59.012 58.200 0.026 0.000 1.034 281 S CB 1.142 64.361 63.200 0.031 0.000 0.939 281 S HN 1.269 nan 8.310 nan 0.000 0.513 282 S N 2.142 117.840 115.700 -0.004 0.000 2.561 282 S HA 0.126 4.596 4.470 -0.000 0.000 0.225 282 S C 0.416 174.992 174.600 -0.040 0.000 0.977 282 S CA 0.146 58.336 58.200 -0.017 0.000 0.926 282 S CB -0.670 62.523 63.200 -0.012 0.000 0.769 282 S HN 0.750 nan 8.310 nan 0.000 0.533 283 V N -2.110 117.772 119.914 -0.053 0.000 2.735 283 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 283 V C -3.225 172.779 176.094 -0.150 0.000 1.061 283 V CA -3.278 58.958 62.300 -0.107 0.000 0.913 283 V CB 1.119 32.887 31.823 -0.091 0.000 1.005 283 V HN -0.164 nan 8.190 nan 0.000 0.428 284 P HA 0.066 nan 4.420 nan 0.000 0.261 284 P C -0.459 176.719 177.300 -0.202 0.000 1.173 284 P CA 0.310 63.167 63.100 -0.405 0.000 0.760 284 P CB 0.399 31.370 31.700 -1.216 0.000 0.783 285 V N 4.394 124.336 119.914 0.048 0.000 2.364 285 V HA 0.131 4.250 4.120 -0.000 0.000 0.272 285 V C 0.463 176.783 176.094 0.378 0.000 1.036 285 V CA -0.108 62.299 62.300 0.178 0.000 0.880 285 V CB 0.973 32.908 31.823 0.186 0.000 0.991 285 V HN 0.502 nan 8.190 nan 0.000 0.460 286 S N 7.967 123.861 115.700 0.325 0.000 2.565 286 S HA 0.312 4.782 4.470 -0.000 0.000 0.276 286 S C -2.201 172.389 174.600 -0.016 0.000 1.326 286 S CA -0.671 57.663 58.200 0.224 0.000 1.045 286 S CB 0.881 64.178 63.200 0.162 0.000 0.918 286 S HN 0.668 nan 8.310 nan 0.000 0.505 287 P HA 0.150 nan 4.420 nan 0.000 0.281 287 P C -0.890 176.211 177.300 -0.331 0.000 1.252 287 P CA -0.229 62.493 63.100 -0.629 0.000 0.778 287 P CB 0.376 31.486 31.700 -0.982 0.000 0.895 288 M N 2.941 122.369 119.600 -0.288 0.000 2.292 288 M HA 0.280 4.760 4.480 -0.000 0.000 0.342 288 M C 1.350 177.559 176.300 -0.152 0.000 1.538 288 M CA 0.952 56.136 55.300 -0.194 0.000 1.163 288 M CB -0.476 32.008 32.600 -0.193 0.000 1.823 288 M HN 0.779 nan 8.290 nan 0.000 0.462 289 G N 2.052 110.799 108.800 -0.087 0.000 2.528 289 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.262 289 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.262 289 G C 0.653 175.575 174.900 0.038 0.000 1.200 289 G CA -0.203 44.904 45.100 0.012 0.000 0.951 289 G HN 0.710 nan 8.290 nan 0.000 0.566 290 C N 1.134 120.497 119.300 0.105 0.000 2.413 290 C HA 0.121 4.581 4.460 -0.000 0.000 0.278 290 C C 1.995 177.021 174.990 0.060 0.000 1.224 290 C CA 2.213 61.287 59.018 0.094 0.000 1.732 290 C CB -0.976 26.784 27.740 0.033 0.000 2.050 290 C HN 0.876 nan 8.230 nan 0.000 0.463 291 R N -1.221 119.263 120.500 -0.026 0.000 2.490 291 R HA 0.137 4.477 4.340 -0.000 0.000 0.410 291 R C -0.441 175.682 176.300 -0.296 0.000 0.876 291 R CA 0.178 56.164 56.100 -0.189 0.000 1.061 291 R CB -0.789 29.504 30.300 -0.012 0.000 1.553 291 R HN 0.268 nan 8.270 nan 0.000 0.593 292 S N 1.571 117.148 115.700 -0.206 0.000 2.399 292 S HA 0.492 4.962 4.470 -0.000 0.000 0.301 292 S C -0.677 173.727 174.600 -0.327 0.000 1.093 292 S CA -0.460 57.693 58.200 -0.079 0.000 1.077 292 S CB -0.144 62.966 63.200 -0.151 0.000 0.980 292 S HN 0.241 nan 8.310 nan 0.000 0.494 293 F N 4.371 124.335 119.950 0.023 0.000 2.385 293 F HA 0.463 4.989 4.527 -0.000 0.000 0.336 293 F C 0.659 176.466 175.800 0.012 0.000 1.100 293 F CA -0.751 57.242 58.000 -0.012 0.000 1.116 293 F CB 0.764 39.748 39.000 -0.028 0.000 1.166 293 F HN 0.325 nan 8.300 nan 0.000 0.511 294 L N 1.385 122.722 121.223 0.190 0.000 2.454 294 L HA 0.465 4.805 4.340 -0.000 0.000 0.256 294 L C 0.364 177.326 176.870 0.153 0.000 1.136 294 L CA -0.519 54.386 54.840 0.108 0.000 0.804 294 L CB 1.384 43.474 42.059 0.050 0.000 1.181 294 L HN 0.654 nan 8.230 nan 0.000 0.469 295 S N -0.012 115.766 115.700 0.129 0.000 2.568 295 S HA 0.377 4.847 4.470 -0.000 0.000 0.302 295 S C -0.660 174.034 174.600 0.157 0.000 1.082 295 S CA -0.696 57.588 58.200 0.141 0.000 1.009 295 S CB 1.872 65.159 63.200 0.145 0.000 1.069 295 S HN 0.396 nan 8.310 nan 0.000 0.500 296 V N 4.545 124.545 119.914 0.143 0.000 2.694 296 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 296 V C -0.597 175.646 176.094 0.248 0.000 1.054 296 V CA 0.674 63.069 62.300 0.158 0.000 1.161 296 V CB 0.103 31.984 31.823 0.096 0.000 0.916 296 V HN 0.845 nan 8.190 nan 0.000 0.490 297 W N 6.670 127.984 121.300 0.023 0.000 3.167 297 W HA 0.651 5.311 4.660 -0.000 0.000 0.324 297 W C -1.130 175.397 176.519 0.014 0.000 1.230 297 W CA -0.964 56.393 57.345 0.021 0.000 1.184 297 W CB 1.537 31.010 29.460 0.022 0.000 1.414 297 W HN 0.495 nan 8.180 nan 0.000 0.551 298 K N 2.709 122.538 120.400 -0.953 0.000 2.385 298 K HA 0.325 4.645 4.320 -0.000 0.000 0.248 298 K C -0.698 175.031 176.600 -1.452 0.000 0.955 298 K CA -0.894 54.877 56.287 -0.860 0.000 0.816 298 K CB 2.094 34.326 32.500 -0.446 0.000 1.250 298 K HN 0.513 nan 8.250 nan 0.000 0.434 299 D N -0.397 119.532 120.400 -0.786 0.000 2.447 299 D HA -0.011 4.629 4.640 -0.000 0.000 0.265 299 D C 1.034 177.148 176.300 -0.311 0.000 1.250 299 D CA -0.499 53.190 54.000 -0.520 0.000 1.046 299 D CB 0.351 41.084 40.800 -0.113 0.000 1.095 299 D HN 0.388 nan 8.370 nan 0.000 0.555 300 S N -1.599 114.014 115.700 -0.145 0.000 2.419 300 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 300 S C 1.366 175.914 174.600 -0.086 0.000 1.019 300 S CA 1.319 59.463 58.200 -0.094 0.000 0.982 300 S CB -1.246 61.935 63.200 -0.032 0.000 0.789 300 S HN 0.595 nan 8.310 nan 0.000 0.490 301 T N -0.227 114.278 114.554 -0.081 0.000 3.163 301 T HA 0.543 4.893 4.350 -0.000 0.000 0.252 301 T C 1.268 175.921 174.700 -0.079 0.000 1.056 301 T CA 0.126 62.190 62.100 -0.061 0.000 0.947 301 T CB -0.005 68.841 68.868 -0.036 0.000 1.016 301 T HN 0.954 nan 8.240 nan 0.000 0.554 302 G N 1.983 110.708 108.800 -0.125 0.000 2.147 302 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.244 302 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.244 302 G C -0.336 174.495 174.900 -0.116 0.000 1.005 302 G CA -0.475 44.546 45.100 -0.132 0.000 0.713 302 G HN 0.588 nan 8.290 nan 0.000 0.515 303 N N 0.612 119.243 118.700 -0.116 0.000 2.430 303 N HA 0.486 5.225 4.740 -0.000 0.000 0.292 303 N C -0.218 175.253 175.510 -0.066 0.000 1.051 303 N CA -0.564 52.446 53.050 -0.067 0.000 0.917 303 N CB 1.048 39.519 38.487 -0.026 0.000 1.164 303 N HN 0.366 nan 8.380 nan 0.000 0.484 304 E N 1.771 121.957 120.200 -0.023 0.000 2.265 304 E HA 0.095 4.445 4.350 -0.000 0.000 0.272 304 E C -0.303 176.354 176.600 0.095 0.000 1.067 304 E CA 0.059 56.475 56.400 0.027 0.000 0.900 304 E CB 0.533 30.250 29.700 0.028 0.000 1.017 304 E HN 0.322 nan 8.360 nan 0.000 0.431 305 I N 4.419 125.116 120.570 0.212 0.000 2.377 305 I HA 0.091 4.261 4.170 -0.000 0.000 0.293 305 I C 0.420 176.660 176.117 0.205 0.000 0.987 305 I CA -0.222 61.224 61.300 0.242 0.000 1.185 305 I CB 1.398 39.642 38.000 0.407 0.000 1.341 305 I HN 0.561 nan 8.210 nan 0.000 0.455 306 L N 3.621 124.913 121.223 0.115 0.000 2.777 306 L HA 0.309 4.648 4.340 -0.000 0.000 0.172 306 L C 0.256 177.144 176.870 0.030 0.000 1.179 306 L CA 0.841 55.724 54.840 0.072 0.000 0.859 306 L CB -0.218 41.877 42.059 0.060 0.000 1.269 306 L HN 0.434 nan 8.230 nan 0.000 0.511 307 D N 0.732 121.153 120.400 0.035 0.000 2.472 307 D HA 0.390 5.030 4.640 -0.000 0.000 0.248 307 D C 1.111 177.420 176.300 0.014 0.000 1.174 307 D CA 1.324 55.335 54.000 0.018 0.000 0.883 307 D CB 0.692 41.514 40.800 0.036 0.000 1.149 307 D HN 0.548 nan 8.370 nan 0.000 0.488 308 G N 2.680 111.475 108.800 -0.008 0.000 2.253 308 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.209 308 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.209 308 G C 0.538 175.359 174.900 -0.130 0.000 0.997 308 G CA -0.494 44.621 45.100 0.024 0.000 0.640 308 G HN 0.492 nan 8.290 nan 0.000 0.496 309 R N 0.879 121.270 120.500 -0.181 0.000 2.560 309 R HA 0.568 4.908 4.340 -0.000 0.000 0.270 309 R C 0.497 176.561 176.300 -0.392 0.000 1.074 309 R CA 0.493 56.408 56.100 -0.308 0.000 1.140 309 R CB 0.503 30.657 30.300 -0.243 0.000 1.073 309 R HN 0.680 nan 8.270 nan 0.000 0.527 310 N N -0.524 117.884 118.700 -0.487 0.000 3.204 310 N HA 0.166 4.906 4.740 -0.000 0.000 0.285 310 N C -1.743 173.507 175.510 -0.432 0.000 1.536 310 N CA -1.061 51.693 53.050 -0.494 0.000 0.832 310 N CB 0.961 38.998 38.487 -0.750 0.000 1.645 310 N HN 0.381 nan 8.380 nan 0.000 0.586 311 N N -0.036 118.415 118.700 -0.416 0.000 2.342 311 N HA 0.247 4.987 4.740 -0.000 0.000 0.293 311 N C -0.600 174.650 175.510 -0.434 0.000 1.026 311 N CA -0.444 52.377 53.050 -0.382 0.000 0.857 311 N CB 1.377 39.667 38.487 -0.328 0.000 1.256 311 N HN 0.538 nan 8.380 nan 0.000 0.484 312 L N 2.574 123.535 121.223 -0.438 0.000 2.478 312 L HA 0.335 4.675 4.340 -0.000 0.000 0.223 312 L C 1.317 178.041 176.870 -0.244 0.000 1.140 312 L CA 0.671 55.256 54.840 -0.426 0.000 0.842 312 L CB -1.074 40.699 42.059 -0.477 0.000 0.953 312 L HN 0.881 nan 8.230 nan 0.000 0.452 313 G N -2.076 106.601 108.800 -0.206 0.000 2.369 313 G HA2 0.335 4.295 3.960 -0.000 0.000 0.293 313 G HA3 0.335 4.295 3.960 -0.000 0.000 0.293 313 G C -1.901 172.919 174.900 -0.135 0.000 1.301 313 G CA -0.419 44.633 45.100 -0.079 0.000 0.913 313 G HN -0.210 nan 8.290 nan 0.000 0.540 314 V N -0.806 119.057 119.914 -0.085 0.000 2.851 314 V HA 0.730 4.850 4.120 -0.000 0.000 0.307 314 V C -0.571 175.555 176.094 0.055 0.000 1.129 314 V CA -0.726 61.502 62.300 -0.120 0.000 0.932 314 V CB 1.891 33.474 31.823 -0.401 0.000 1.024 314 V HN 1.094 nan 8.190 nan 0.000 0.426 315 V N 2.638 122.646 119.914 0.156 0.000 2.524 315 V HA 0.493 4.613 4.120 -0.000 0.000 0.297 315 V C -0.079 176.232 176.094 0.362 0.000 1.035 315 V CA -0.270 62.203 62.300 0.287 0.000 0.867 315 V CB 2.277 34.214 31.823 0.190 0.000 1.004 315 V HN 0.949 nan 8.190 nan 0.000 0.426 316 T N 6.077 120.949 114.554 0.530 0.000 2.829 316 T HA 0.518 4.868 4.350 -0.000 0.000 0.282 316 T C -0.365 174.627 174.700 0.487 0.000 0.990 316 T CA -0.267 62.149 62.100 0.526 0.000 1.028 316 T CB 1.252 70.539 68.868 0.698 0.000 0.951 316 T HN 0.390 nan 8.240 nan 0.000 0.460 317 L N 3.871 125.310 121.223 0.360 0.000 2.275 317 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 317 L C 0.254 177.174 176.870 0.083 0.000 1.046 317 L CA -0.688 54.281 54.840 0.215 0.000 0.805 317 L CB 0.942 43.102 42.059 0.168 0.000 1.193 317 L HN 0.552 nan 8.230 nan 0.000 0.426 318 N N 5.128 123.693 118.700 -0.225 0.000 2.508 318 N HA 0.088 4.828 4.740 -0.000 0.000 0.253 318 N C 0.953 176.331 175.510 -0.220 0.000 1.145 318 N CA 0.024 52.705 53.050 -0.615 0.000 0.973 318 N CB 0.523 38.310 38.487 -1.167 0.000 1.305 318 N HN 0.659 nan 8.380 nan 0.000 0.506 319 L N 4.026 125.209 121.223 -0.067 0.000 1.989 319 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 319 L C -0.582 176.277 176.870 -0.017 0.000 1.071 319 L CA 1.309 56.169 54.840 0.034 0.000 0.749 319 L CB -1.422 40.704 42.059 0.111 0.000 0.890 319 L HN 0.384 nan 8.230 nan 0.000 0.431 320 P HA -0.212 nan 4.420 nan 0.000 0.214 320 P C 1.403 178.610 177.300 -0.154 0.000 1.163 320 P CA 1.231 64.168 63.100 -0.273 0.000 0.889 320 P CB -0.069 31.212 31.700 -0.697 0.000 0.790 321 R N 0.063 120.474 120.500 -0.149 0.000 2.211 321 R HA -0.127 4.212 4.340 -0.000 0.000 0.240 321 R C 1.997 178.291 176.300 -0.009 0.000 1.144 321 R CA 1.396 57.434 56.100 -0.103 0.000 0.992 321 R CB -1.583 28.654 30.300 -0.104 0.000 0.869 321 R HN 0.215 nan 8.270 nan 0.000 0.462 322 I N -0.566 120.041 120.570 0.062 0.000 2.193 322 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 322 I C 2.309 178.650 176.117 0.373 0.000 1.084 322 I CA 1.218 62.616 61.300 0.163 0.000 1.365 322 I CB -0.649 37.423 38.000 0.120 0.000 1.064 322 I HN 0.250 nan 8.210 nan 0.000 0.410 323 A N 1.535 124.651 122.820 0.493 0.000 1.865 323 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 323 A C 2.339 180.145 177.584 0.370 0.000 1.191 323 A CA 1.582 53.925 52.037 0.511 0.000 0.623 323 A CB -1.059 17.993 19.000 0.088 0.000 0.826 323 A HN 0.364 nan 8.150 nan 0.000 0.444 324 L N -0.633 120.580 121.223 -0.018 0.000 1.990 324 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 324 L C 2.148 178.977 176.870 -0.068 0.000 1.072 324 L CA 1.819 56.443 54.840 -0.361 0.000 0.755 324 L CB -0.867 40.647 42.059 -0.908 0.000 0.889 324 L HN 0.299 nan 8.230 nan 0.000 0.432 325 D N -0.318 120.108 120.400 0.044 0.000 2.311 325 D HA -0.110 4.529 4.640 -0.000 0.000 0.212 325 D C 1.632 178.107 176.300 0.292 0.000 0.972 325 D CA 1.205 55.352 54.000 0.243 0.000 0.887 325 D CB -0.002 40.914 40.800 0.194 0.000 0.915 325 D HN 0.323 nan 8.370 nan 0.000 0.497 326 S N -0.718 115.198 115.700 0.360 0.000 2.506 326 S HA 0.161 4.630 4.470 -0.000 0.000 0.245 326 S C -0.117 174.676 174.600 0.321 0.000 1.088 326 S CA -0.797 57.593 58.200 0.316 0.000 1.099 326 S CB -0.290 63.120 63.200 0.349 0.000 0.805 326 S HN -0.041 nan 8.310 nan 0.000 0.461 327 Y N 1.165 121.573 120.300 0.180 0.000 2.387 327 Y HA 0.589 5.139 4.550 -0.000 0.000 0.330 327 Y C 0.153 176.119 175.900 0.110 0.000 1.133 327 Y CA -1.760 56.437 58.100 0.161 0.000 1.152 327 Y CB 0.904 39.484 38.460 0.201 0.000 1.215 327 Y HN 0.249 nan 8.280 nan 0.000 0.466 328 I N 3.225 123.861 120.570 0.110 0.000 2.410 328 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 328 I C 0.727 176.906 176.117 0.103 0.000 1.009 328 I CA -0.212 61.135 61.300 0.079 0.000 1.111 328 I CB 0.621 38.620 38.000 -0.002 0.000 1.262 328 I HN 0.839 nan 8.210 nan 0.000 0.443 329 G N 5.797 114.680 108.800 0.137 0.000 2.591 329 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.298 329 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.298 329 G C 0.610 175.650 174.900 0.232 0.000 1.195 329 G CA 0.661 45.843 45.100 0.136 0.000 0.989 329 G HN 0.751 nan 8.290 nan 0.000 0.551 330 T N -1.590 113.085 114.554 0.201 0.000 3.214 330 T HA 0.536 4.886 4.350 -0.000 0.000 0.264 330 T C 0.455 175.312 174.700 0.261 0.000 1.012 330 T CA 1.172 63.447 62.100 0.293 0.000 0.901 330 T CB 0.441 69.413 68.868 0.173 0.000 1.070 330 T HN 0.819 nan 8.240 nan 0.000 0.561 331 Q N 0.775 120.615 119.800 0.067 0.000 2.340 331 Q HA 0.533 4.873 4.340 -0.000 0.000 0.268 331 Q C -1.326 174.287 176.000 -0.644 0.000 1.031 331 Q CA -1.208 54.474 55.803 -0.201 0.000 0.804 331 Q CB 1.217 29.901 28.738 -0.091 0.000 1.286 331 Q HN 0.369 nan 8.270 nan 0.000 0.448 332 F N 4.215 123.525 119.950 -1.067 0.000 2.495 332 F HA 0.229 4.756 4.527 -0.000 0.000 0.365 332 F C -0.429 175.116 175.800 -0.425 0.000 1.090 332 F CA -0.034 57.339 58.000 -1.044 0.000 1.235 332 F CB 0.655 39.233 39.000 -0.702 0.000 1.119 332 F HN 0.570 nan 8.300 nan 0.000 0.562 333 N N 5.282 123.412 118.700 -0.950 0.000 2.518 333 N HA 0.051 4.790 4.740 -0.000 0.000 0.254 333 N C 0.654 175.592 175.510 -0.953 0.000 0.979 333 N CA -0.133 52.501 53.050 -0.692 0.000 0.930 333 N CB 1.218 39.509 38.487 -0.328 0.000 1.152 333 N HN 0.882 nan 8.380 nan 0.000 0.505 334 E N 2.611 122.330 120.200 -0.800 0.000 2.097 334 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 334 E C 1.482 177.992 176.600 -0.151 0.000 1.000 334 E CA 1.858 57.981 56.400 -0.462 0.000 0.804 334 E CB 0.199 29.793 29.700 -0.176 0.000 0.740 334 E HN 0.669 nan 8.360 nan 0.000 0.454 335 Q N 0.406 120.130 119.800 -0.127 0.000 2.123 335 Q HA -0.139 4.200 4.340 -0.000 0.000 0.199 335 Q C 1.880 177.880 176.000 -0.000 0.000 0.966 335 Q CA 1.879 57.661 55.803 -0.034 0.000 0.845 335 Q CB -0.225 28.490 28.738 -0.039 0.000 0.907 335 Q HN 0.067 nan 8.270 nan 0.000 0.439 336 K N -0.405 119.969 120.400 -0.043 0.000 2.097 336 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 336 K C 1.678 178.345 176.600 0.110 0.000 1.049 336 K CA 1.277 57.573 56.287 0.016 0.000 0.933 336 K CB -0.804 31.690 32.500 -0.010 0.000 0.717 336 K HN 0.319 nan 8.250 nan 0.000 0.442 337 F N 0.140 120.049 119.950 -0.069 0.000 2.102 337 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 337 F C 1.824 177.700 175.800 0.127 0.000 1.105 337 F CA 1.335 59.380 58.000 0.076 0.000 1.239 337 F CB -0.457 38.624 39.000 0.135 0.000 0.991 337 F HN -0.155 nan 8.300 nan 0.000 0.474 338 V N 0.196 120.234 119.914 0.206 0.000 2.469 338 V HA -0.295 3.824 4.120 -0.000 0.000 0.251 338 V C 2.219 178.372 176.094 0.098 0.000 1.064 338 V CA 2.219 64.581 62.300 0.103 0.000 1.066 338 V CB -0.654 31.230 31.823 0.100 0.000 0.667 338 V HN 0.371 nan 8.190 nan 0.000 0.461 339 E N -0.083 120.165 120.200 0.080 0.000 2.016 339 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 339 E C 2.234 178.869 176.600 0.058 0.000 0.985 339 E CA 1.128 57.570 56.400 0.069 0.000 0.802 339 E CB -0.182 29.550 29.700 0.053 0.000 0.762 339 E HN 0.471 nan 8.360 nan 0.000 0.448 340 L N 0.389 121.637 121.223 0.042 0.000 2.131 340 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 340 L C 2.415 179.264 176.870 -0.035 0.000 1.092 340 L CA 0.800 55.650 54.840 0.017 0.000 0.759 340 L CB -0.422 41.661 42.059 0.040 0.000 0.903 340 L HN 0.178 nan 8.230 nan 0.000 0.435 341 F N 1.569 121.368 119.950 -0.252 0.000 2.075 341 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 341 F C 2.412 178.117 175.800 -0.158 0.000 1.113 341 F CA 1.721 59.538 58.000 -0.304 0.000 1.218 341 F CB -0.262 38.447 39.000 -0.485 0.000 0.984 341 F HN 0.097 nan 8.300 nan 0.000 0.472 342 N N 0.626 119.381 118.700 0.092 0.000 2.223 342 N HA -0.211 4.529 4.740 -0.000 0.000 0.185 342 N C 1.881 177.360 175.510 -0.052 0.000 1.016 342 N CA 1.480 54.555 53.050 0.041 0.000 0.863 342 N CB -0.617 37.990 38.487 0.201 0.000 0.983 342 N HN 0.600 nan 8.380 nan 0.000 0.429 343 E N 1.147 121.329 120.200 -0.030 0.000 2.072 343 E HA -0.076 4.273 4.350 -0.000 0.000 0.191 343 E C 1.693 178.275 176.600 -0.031 0.000 0.985 343 E CA 0.721 57.115 56.400 -0.010 0.000 0.801 343 E CB 0.147 29.854 29.700 0.012 0.000 0.750 343 E HN 0.254 nan 8.360 nan 0.000 0.452 344 R N -0.529 119.912 120.500 -0.098 0.000 2.193 344 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 344 R C 2.219 178.452 176.300 -0.112 0.000 1.055 344 R CA 0.901 56.952 56.100 -0.082 0.000 0.995 344 R CB -0.110 30.130 30.300 -0.100 0.000 0.893 344 R HN 0.212 nan 8.270 nan 0.000 0.459 345 M N 0.990 120.421 119.600 -0.283 0.000 2.132 345 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 345 M C 1.252 177.635 176.300 0.139 0.000 1.065 345 M CA 1.703 56.863 55.300 -0.233 0.000 1.122 345 M CB -0.083 32.074 32.600 -0.738 0.000 1.365 345 M HN -0.019 nan 8.290 nan 0.000 0.411 346 D N -0.473 119.978 120.400 0.085 0.000 2.144 346 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 346 D C 1.956 178.334 176.300 0.130 0.000 0.978 346 D CA 1.132 55.208 54.000 0.127 0.000 0.833 346 D CB -0.288 40.567 40.800 0.091 0.000 0.961 346 D HN 0.310 nan 8.370 nan 0.000 0.470 347 L N 0.997 122.295 121.223 0.124 0.000 2.012 347 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 347 L C 2.364 179.296 176.870 0.102 0.000 1.073 347 L CA 1.698 56.642 54.840 0.174 0.000 0.748 347 L CB -0.759 41.397 42.059 0.162 0.000 0.891 347 L HN 0.032 nan 8.230 nan 0.000 0.431 348 C N -0.646 118.718 119.300 0.105 0.000 2.413 348 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 348 C C 2.601 177.579 174.990 -0.020 0.000 1.265 348 C CA 0.981 60.071 59.018 0.119 0.000 1.752 348 C CB -1.461 26.434 27.740 0.258 0.000 1.998 348 C HN 0.740 nan 8.230 nan 0.000 0.489 349 F N 2.099 121.811 119.950 -0.398 0.000 2.186 349 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 349 F C 2.231 177.791 175.800 -0.400 0.000 1.090 349 F CA 1.975 59.425 58.000 -0.916 0.000 1.307 349 F CB -0.363 37.595 39.000 -1.737 0.000 1.019 349 F HN 0.099 nan 8.300 nan 0.000 0.489 350 E N 0.439 120.470 120.200 -0.281 0.000 2.150 350 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 350 E C 2.170 178.619 176.600 -0.252 0.000 0.985 350 E CA 1.133 57.405 56.400 -0.214 0.000 0.814 350 E CB -0.393 29.403 29.700 0.161 0.000 0.752 350 E HN 0.438 nan 8.360 nan 0.000 0.466 351 A N 0.027 122.725 122.820 -0.204 0.000 1.897 351 A HA -0.069 4.250 4.320 -0.000 0.000 0.215 351 A C 2.186 179.657 177.584 -0.188 0.000 1.181 351 A CA 0.957 52.882 52.037 -0.187 0.000 0.620 351 A CB -0.576 18.358 19.000 -0.109 0.000 0.821 351 A HN 0.279 nan 8.150 nan 0.000 0.443 352 L N -1.695 119.419 121.223 -0.182 0.000 2.056 352 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 352 L C 2.700 179.417 176.870 -0.255 0.000 1.078 352 L CA 1.363 56.116 54.840 -0.144 0.000 0.749 352 L CB -0.395 41.685 42.059 0.035 0.000 0.901 352 L HN 0.309 nan 8.230 nan 0.000 0.433 353 M N -0.854 118.499 119.600 -0.412 0.000 2.279 353 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 353 M C 2.347 178.485 176.300 -0.270 0.000 1.062 353 M CA 1.245 56.292 55.300 -0.422 0.000 1.099 353 M CB -0.969 31.204 32.600 -0.711 0.000 1.394 353 M HN 0.390 nan 8.290 nan 0.000 0.426 354 C N 1.012 120.169 119.300 -0.238 0.000 2.442 354 C HA -0.200 4.260 4.460 -0.000 0.000 0.279 354 C C 2.940 177.845 174.990 -0.141 0.000 1.237 354 C CA 1.659 60.576 59.018 -0.168 0.000 1.722 354 C CB -1.025 26.610 27.740 -0.175 0.000 2.056 354 C HN 0.667 nan 8.230 nan 0.000 0.469 355 R N 0.681 121.092 120.500 -0.148 0.000 2.096 355 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 355 R C 2.138 178.366 176.300 -0.120 0.000 1.127 355 R CA 2.044 58.077 56.100 -0.112 0.000 0.968 355 R CB -0.804 29.438 30.300 -0.097 0.000 0.861 355 R HN 0.496 nan 8.270 nan 0.000 0.440 356 I N 1.674 122.123 120.570 -0.201 0.000 2.264 356 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 356 I C 2.021 178.052 176.117 -0.143 0.000 1.111 356 I CA 1.381 62.523 61.300 -0.264 0.000 1.382 356 I CB -0.198 37.486 38.000 -0.526 0.000 1.060 356 I HN 0.228 nan 8.210 nan 0.000 0.418 357 S N 0.323 115.955 115.700 -0.112 0.000 2.402 357 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 357 S C 2.111 176.698 174.600 -0.022 0.000 1.021 357 S CA 1.437 59.611 58.200 -0.043 0.000 0.974 357 S CB -0.255 62.921 63.200 -0.040 0.000 0.800 357 S HN 0.633 nan 8.310 nan 0.000 0.484 358 S N 1.769 117.448 115.700 -0.034 0.000 2.465 358 S HA 0.008 4.478 4.470 -0.000 0.000 0.241 358 S C 1.591 176.194 174.600 0.005 0.000 1.000 358 S CA 0.696 58.887 58.200 -0.015 0.000 0.964 358 S CB -0.610 62.581 63.200 -0.016 0.000 0.763 358 S HN 0.475 nan 8.310 nan 0.000 0.512 359 L N 0.230 121.463 121.223 0.016 0.000 2.395 359 L HA 0.123 4.463 4.340 -0.000 0.000 0.218 359 L C 0.878 177.768 176.870 0.033 0.000 1.130 359 L CA 0.459 55.329 54.840 0.050 0.000 0.826 359 L CB -0.328 41.798 42.059 0.112 0.000 0.941 359 L HN 0.227 nan 8.230 nan 0.000 0.451 360 K N 0.103 120.518 120.400 0.026 0.000 2.448 360 K HA 0.216 4.535 4.320 -0.000 0.000 0.278 360 K C 1.140 177.737 176.600 -0.005 0.000 1.009 360 K CA 0.631 56.928 56.287 0.017 0.000 0.995 360 K CB 0.539 33.053 32.500 0.024 0.000 0.917 360 K HN 0.184 nan 8.250 nan 0.000 0.481 361 G N 1.038 109.827 108.800 -0.019 0.000 2.363 361 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.238 361 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.238 361 G C 0.217 175.089 174.900 -0.048 0.000 1.062 361 G CA 0.013 45.096 45.100 -0.029 0.000 0.629 361 G HN 0.449 nan 8.290 nan 0.000 0.514 362 V N 3.523 123.405 119.914 -0.053 0.000 2.557 362 V HA 0.302 4.422 4.120 -0.000 0.000 0.301 362 V C 0.744 176.760 176.094 -0.130 0.000 1.026 362 V CA 0.340 62.592 62.300 -0.080 0.000 1.137 362 V CB 0.911 32.689 31.823 -0.074 0.000 0.917 362 V HN 0.425 nan 8.190 nan 0.000 0.484 363 K N 3.983 124.310 120.400 -0.123 0.000 2.106 363 K HA 0.607 4.927 4.320 -0.000 0.000 0.246 363 K C 1.113 177.598 176.600 -0.191 0.000 0.987 363 K CA -0.271 55.931 56.287 -0.141 0.000 0.904 363 K CB 0.997 33.446 32.500 -0.084 0.000 1.071 363 K HN 0.567 nan 8.250 nan 0.000 0.453 364 A N 0.618 123.328 122.820 -0.184 0.000 2.172 364 A HA -0.121 4.198 4.320 -0.000 0.000 0.216 364 A C 1.719 179.291 177.584 -0.021 0.000 1.154 364 A CA 1.873 53.816 52.037 -0.157 0.000 0.701 364 A CB -1.027 17.932 19.000 -0.068 0.000 0.789 364 A HN 0.810 nan 8.150 nan 0.000 0.465 365 T N -3.127 111.408 114.554 -0.032 0.000 2.977 365 T HA -0.069 4.280 4.350 -0.000 0.000 0.271 365 T C 1.496 176.206 174.700 0.018 0.000 1.105 365 T CA 1.141 63.240 62.100 -0.003 0.000 1.116 365 T CB -0.464 68.395 68.868 -0.014 0.000 0.878 365 T HN 0.066 nan 8.240 nan 0.000 0.509 366 V N 0.726 120.648 119.914 0.012 0.000 2.759 366 V HA 0.406 4.525 4.120 -0.000 0.000 0.256 366 V C 1.275 177.445 176.094 0.126 0.000 1.080 366 V CA 1.169 63.487 62.300 0.031 0.000 1.101 366 V CB -0.457 31.355 31.823 -0.018 0.000 0.698 366 V HN 0.827 nan 8.190 nan 0.000 0.477 367 A N -1.214 121.714 122.820 0.179 0.000 2.770 367 A HA 0.521 4.841 4.320 -0.000 0.000 0.295 367 A C -2.036 175.527 177.584 -0.035 0.000 1.256 367 A CA -0.427 51.682 52.037 0.119 0.000 0.870 367 A CB 0.402 19.495 19.000 0.154 0.000 1.451 367 A HN 0.213 nan 8.150 nan 0.000 0.505 368 P HA -0.187 nan 4.420 nan 0.000 0.214 368 P C 1.562 178.765 177.300 -0.162 0.000 1.163 368 P CA 1.807 64.864 63.100 -0.072 0.000 0.889 368 P CB -0.110 31.564 31.700 -0.043 0.000 0.790 369 I N -2.886 117.520 120.570 -0.274 0.000 2.423 369 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 369 I C 2.157 178.048 176.117 -0.378 0.000 1.151 369 I CA 1.678 62.835 61.300 -0.239 0.000 1.421 369 I CB -1.737 36.128 38.000 -0.225 0.000 1.079 369 I HN -0.102 nan 8.210 nan 0.000 0.431 370 L N -0.901 119.958 121.223 -0.607 0.000 2.034 370 L HA -0.086 4.253 4.340 -0.000 0.000 0.203 370 L C 2.374 178.743 176.870 -0.835 0.000 1.074 370 L CA 1.411 55.588 54.840 -1.106 0.000 0.748 370 L CB -0.770 40.222 42.059 -1.779 0.000 0.905 370 L HN 0.156 nan 8.230 nan 0.000 0.439 371 Y N -0.734 119.416 120.300 -0.250 0.000 2.510 371 Y HA 0.032 4.581 4.550 -0.000 0.000 0.273 371 Y C 2.360 178.234 175.900 -0.044 0.000 1.119 371 Y CA 0.208 58.265 58.100 -0.071 0.000 1.286 371 Y CB -0.040 38.400 38.460 -0.032 0.000 1.061 371 Y HN 0.200 nan 8.280 nan 0.000 0.542 372 Q N -0.742 119.095 119.800 0.061 0.000 2.471 372 Q HA 0.076 4.416 4.340 -0.000 0.000 0.241 372 Q C 0.489 176.512 176.000 0.037 0.000 0.886 372 Q CA 0.212 56.046 55.803 0.051 0.000 0.953 372 Q CB 0.697 29.459 28.738 0.039 0.000 1.108 372 Q HN 0.249 nan 8.270 nan 0.000 0.575 373 E N 0.035 120.246 120.200 0.017 0.000 2.961 373 E HA 0.175 4.524 4.350 -0.000 0.000 0.254 373 E C 1.192 177.789 176.600 -0.004 0.000 1.192 373 E CA 0.064 56.501 56.400 0.061 0.000 1.069 373 E CB -0.077 29.711 29.700 0.147 0.000 1.338 373 E HN 0.161 nan 8.360 nan 0.000 0.596 374 G N 0.453 109.224 108.800 -0.049 0.000 2.432 374 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.219 374 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.219 374 G C 1.432 176.269 174.900 -0.105 0.000 1.135 374 G CA 1.537 46.570 45.100 -0.111 0.000 0.767 374 G HN 0.485 nan 8.290 nan 0.000 0.550 375 A N 1.075 123.795 122.820 -0.167 0.000 1.887 375 A HA -0.211 4.109 4.320 -0.000 0.000 0.225 375 A C 1.831 179.445 177.584 0.049 0.000 1.464 375 A CA 1.951 53.896 52.037 -0.153 0.000 0.717 375 A CB -0.892 17.897 19.000 -0.352 0.000 0.848 375 A HN 0.323 nan 8.150 nan 0.000 0.477 376 F N 0.076 119.942 119.950 -0.140 0.000 2.725 376 F HA 0.341 4.867 4.527 -0.000 0.000 0.303 376 F C 2.003 177.775 175.800 -0.046 0.000 1.167 376 F CA 0.028 57.967 58.000 -0.103 0.000 1.403 376 F CB -1.038 37.898 39.000 -0.108 0.000 1.077 376 F HN 0.546 nan 8.300 nan 0.000 0.537 377 G N 0.160 109.041 108.800 0.136 0.000 2.189 377 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.267 377 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.267 377 G C 0.230 175.184 174.900 0.091 0.000 0.975 377 G CA 0.521 45.675 45.100 0.089 0.000 0.644 377 G HN 0.535 nan 8.290 nan 0.000 0.537 378 V N -4.558 115.419 119.914 0.106 0.000 3.167 378 V HA 0.959 5.078 4.120 -0.000 0.000 0.310 378 V C -0.496 175.649 176.094 0.084 0.000 1.207 378 V CA -1.756 60.600 62.300 0.094 0.000 1.059 378 V CB 2.019 33.903 31.823 0.102 0.000 1.079 378 V HN 0.255 nan 8.190 nan 0.000 0.446 379 R N 1.488 122.031 120.500 0.072 0.000 2.467 379 R HA 0.580 4.919 4.340 -0.000 0.000 0.299 379 R C -1.736 174.599 176.300 0.057 0.000 1.120 379 R CA -0.519 55.619 56.100 0.063 0.000 0.940 379 R CB 1.415 31.747 30.300 0.052 0.000 1.161 379 R HN 0.596 nan 8.270 nan 0.000 0.506 380 L N 2.050 123.313 121.223 0.067 0.000 2.399 380 L HA 0.351 4.691 4.340 -0.000 0.000 0.266 380 L C 0.918 177.804 176.870 0.027 0.000 1.114 380 L CA 0.008 54.872 54.840 0.041 0.000 0.804 380 L CB 0.497 42.581 42.059 0.042 0.000 1.146 380 L HN 0.255 nan 8.230 nan 0.000 0.451 381 K N 2.658 123.063 120.400 0.008 0.000 2.120 381 K HA 0.181 4.500 4.320 -0.000 0.000 0.245 381 K C -1.589 175.008 176.600 -0.005 0.000 1.024 381 K CA -1.197 55.092 56.287 0.004 0.000 0.906 381 K CB 0.234 32.732 32.500 -0.003 0.000 1.051 381 K HN 0.319 nan 8.250 nan 0.000 0.491 382 P HA -0.182 nan 4.420 nan 0.000 0.215 382 P C 0.099 177.381 177.300 -0.030 0.000 1.157 382 P CA 1.339 64.431 63.100 -0.012 0.000 0.868 382 P CB 0.113 31.809 31.700 -0.007 0.000 0.788 383 D N -1.670 118.714 120.400 -0.028 0.000 2.324 383 D HA -0.001 4.638 4.640 -0.000 0.000 0.235 383 D C -0.143 176.129 176.300 -0.047 0.000 1.095 383 D CA 0.309 54.288 54.000 -0.035 0.000 0.871 383 D CB -0.579 40.207 40.800 -0.024 0.000 0.906 383 D HN 0.128 nan 8.370 nan 0.000 0.522 384 D N 1.184 121.550 120.400 -0.057 0.000 2.313 384 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 384 D C -0.046 176.186 176.300 -0.113 0.000 1.094 384 D CA -0.190 53.767 54.000 -0.070 0.000 0.925 384 D CB 1.042 41.805 40.800 -0.061 0.000 1.188 384 D HN -0.099 nan 8.370 nan 0.000 0.430 385 D N 0.292 120.624 120.400 -0.113 0.000 2.345 385 D HA 0.108 4.748 4.640 -0.000 0.000 0.247 385 D C 1.421 177.579 176.300 -0.237 0.000 1.108 385 D CA -0.229 53.683 54.000 -0.146 0.000 0.894 385 D CB 0.909 41.648 40.800 -0.101 0.000 1.203 385 D HN 0.360 nan 8.370 nan 0.000 0.430 386 I N -0.376 119.991 120.570 -0.339 0.000 3.030 386 I HA 0.050 4.220 4.170 -0.000 0.000 0.270 386 I C 1.852 177.603 176.117 -0.609 0.000 1.211 386 I CA 0.103 61.069 61.300 -0.557 0.000 1.479 386 I CB -0.035 37.438 38.000 -0.878 0.000 1.105 386 I HN 0.196 nan 8.210 nan 0.000 0.447 387 I N 2.210 122.591 120.570 -0.315 0.000 2.335 387 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 387 I C 2.408 178.410 176.117 -0.192 0.000 1.129 387 I CA 1.700 62.901 61.300 -0.166 0.000 1.402 387 I CB -0.368 37.657 38.000 0.042 0.000 1.069 387 I HN 0.196 nan 8.210 nan 0.000 0.424 388 E N -0.067 120.015 120.200 -0.197 0.000 2.150 388 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 388 E C 2.107 178.604 176.600 -0.173 0.000 0.985 388 E CA 0.916 57.239 56.400 -0.129 0.000 0.814 388 E CB -0.646 28.999 29.700 -0.091 0.000 0.752 388 E HN 0.434 nan 8.360 nan 0.000 0.466 389 L N 0.261 121.281 121.223 -0.339 0.000 2.265 389 L HA -0.129 4.210 4.340 -0.000 0.000 0.215 389 L C 1.539 178.285 176.870 -0.207 0.000 1.117 389 L CA 1.407 56.073 54.840 -0.290 0.000 0.782 389 L CB -0.308 41.555 42.059 -0.327 0.000 0.914 389 L HN -0.055 nan 8.230 nan 0.000 0.441 390 F N -1.005 118.940 119.950 -0.008 0.000 2.714 390 F HA 0.224 4.751 4.527 -0.000 0.000 0.294 390 F C 1.418 177.199 175.800 -0.033 0.000 1.120 390 F CA -0.651 57.333 58.000 -0.027 0.000 1.398 390 F CB -0.912 38.140 39.000 0.087 0.000 1.120 390 F HN -0.113 nan 8.300 nan 0.000 0.589 391 K N 0.860 121.292 120.400 0.054 0.000 2.234 391 K HA 0.007 4.326 4.320 -0.000 0.000 0.251 391 K C 0.424 176.943 176.600 -0.134 0.000 1.011 391 K CA 0.164 56.306 56.287 -0.241 0.000 0.889 391 K CB -0.160 32.200 32.500 -0.232 0.000 1.011 391 K HN 0.154 nan 8.250 nan 0.000 0.505 392 N N 0.022 118.613 118.700 -0.181 0.000 2.716 392 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 392 N C 0.383 176.012 175.510 0.199 0.000 1.033 392 N CA 0.056 53.123 53.050 0.028 0.000 0.727 392 N CB -1.137 37.410 38.487 0.101 0.000 0.950 392 N HN 0.953 nan 8.380 nan 0.000 0.541 393 G N -0.677 108.162 108.800 0.065 0.000 2.176 393 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.253 393 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.253 393 G C 0.759 175.429 174.900 -0.384 0.000 0.979 393 G CA 0.747 45.887 45.100 0.067 0.000 0.641 393 G HN 0.547 nan 8.290 nan 0.000 0.530 394 R N 0.571 120.624 120.500 -0.744 0.000 2.062 394 R HA 0.152 4.491 4.340 -0.000 0.000 0.231 394 R C 1.316 177.244 176.300 -0.621 0.000 1.136 394 R CA 1.639 56.929 56.100 -1.351 0.000 0.948 394 R CB -0.224 29.390 30.300 -1.144 0.000 0.845 394 R HN 0.404 nan 8.270 nan 0.000 0.430 395 S N -0.077 115.441 115.700 -0.303 0.000 2.610 395 S HA 0.211 4.681 4.470 -0.000 0.000 0.273 395 S C -0.339 174.160 174.600 -0.168 0.000 1.274 395 S CA -0.693 57.365 58.200 -0.235 0.000 1.023 395 S CB 1.760 64.834 63.200 -0.211 0.000 0.962 395 S HN 0.453 nan 8.310 nan 0.000 0.523 396 S N 1.139 116.722 115.700 -0.195 0.000 2.690 396 S HA 0.809 5.279 4.470 -0.000 0.000 0.291 396 S C -0.689 173.782 174.600 -0.215 0.000 1.138 396 S CA -0.627 57.490 58.200 -0.137 0.000 1.013 396 S CB 0.981 64.126 63.200 -0.092 0.000 1.053 396 S HN 0.413 nan 8.310 nan 0.000 0.539 397 V N 1.303 121.094 119.914 -0.204 0.000 2.789 397 V HA 0.552 4.672 4.120 -0.000 0.000 0.311 397 V C -0.495 175.559 176.094 -0.066 0.000 1.073 397 V CA -0.768 61.369 62.300 -0.272 0.000 0.921 397 V CB 2.242 33.692 31.823 -0.623 0.000 1.009 397 V HN 0.998 nan 8.190 nan 0.000 0.426 398 S N 4.741 120.400 115.700 -0.069 0.000 2.429 398 S HA 0.544 5.014 4.470 -0.000 0.000 0.302 398 S C -0.560 174.170 174.600 0.218 0.000 1.115 398 S CA -0.407 57.809 58.200 0.027 0.000 1.095 398 S CB 1.058 64.084 63.200 -0.290 0.000 0.987 398 S HN 0.601 nan 8.310 nan 0.000 0.474 399 L N 4.452 125.886 121.223 0.352 0.000 2.277 399 L HA 0.548 4.888 4.340 -0.000 0.000 0.284 399 L C 0.412 177.530 176.870 0.414 0.000 1.028 399 L CA -0.194 54.884 54.840 0.397 0.000 0.835 399 L CB 0.135 42.433 42.059 0.399 0.000 1.215 399 L HN 0.790 nan 8.230 nan 0.000 0.425 400 G N 4.030 113.059 108.800 0.382 0.000 2.425 400 G HA2 0.466 4.426 3.960 -0.000 0.000 0.302 400 G HA3 0.466 4.426 3.960 -0.000 0.000 0.302 400 G C -1.352 173.779 174.900 0.385 0.000 1.159 400 G CA -0.281 45.039 45.100 0.367 0.000 0.865 400 G HN 0.692 nan 8.290 nan 0.000 0.515 401 Y N -0.711 119.709 120.300 0.200 0.000 2.644 401 Y HA 0.827 5.376 4.550 -0.000 0.000 0.338 401 Y C -0.959 175.017 175.900 0.126 0.000 1.119 401 Y CA -1.937 56.265 58.100 0.170 0.000 1.060 401 Y CB 1.697 40.248 38.460 0.152 0.000 1.294 401 Y HN 0.670 nan 8.280 nan 0.000 0.472 402 I N 0.114 120.766 120.570 0.137 0.000 2.947 402 I HA 0.545 4.715 4.170 -0.000 0.000 0.301 402 I C 0.113 176.289 176.117 0.099 0.000 1.453 402 I CA -0.352 60.966 61.300 0.030 0.000 0.984 402 I CB 2.227 40.311 38.000 0.140 0.000 1.333 402 I HN 1.290 nan 8.210 nan 0.000 0.475 403 G N 5.842 114.668 108.800 0.044 0.000 2.272 403 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.280 403 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.280 403 G C 0.550 175.449 174.900 -0.002 0.000 1.067 403 G CA 0.482 45.576 45.100 -0.010 0.000 0.902 403 G HN 0.639 nan 8.290 nan 0.000 0.500 404 I N -1.002 119.617 120.570 0.081 0.000 2.335 404 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 404 I C 2.369 178.511 176.117 0.041 0.000 1.129 404 I CA 1.976 63.326 61.300 0.083 0.000 1.402 404 I CB -0.251 37.815 38.000 0.109 0.000 1.069 404 I HN 0.575 nan 8.210 nan 0.000 0.424 405 H N 1.358 120.411 119.070 -0.029 0.000 2.256 405 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 405 H C 2.065 177.333 175.328 -0.099 0.000 1.071 405 H CA 2.139 58.164 56.048 -0.038 0.000 1.280 405 H CB 0.061 29.815 29.762 -0.014 0.000 1.370 405 H HN 0.112 nan 8.280 nan 0.000 0.490 406 E N 0.106 120.279 120.200 -0.045 0.000 2.171 406 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 406 E C 2.186 178.627 176.600 -0.266 0.000 0.997 406 E CA 1.031 57.310 56.400 -0.200 0.000 0.810 406 E CB -0.407 29.076 29.700 -0.363 0.000 0.738 406 E HN 0.440 nan 8.360 nan 0.000 0.467 407 L N 0.977 122.065 121.223 -0.226 0.000 1.994 407 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 407 L C 1.477 178.193 176.870 -0.257 0.000 1.071 407 L CA 1.830 56.549 54.840 -0.203 0.000 0.745 407 L CB -0.680 41.330 42.059 -0.082 0.000 0.892 407 L HN 0.028 nan 8.230 nan 0.000 0.431 408 N N 0.259 118.823 118.700 -0.226 0.000 2.036 408 N HA -0.235 4.505 4.740 -0.000 0.000 0.195 408 N C 2.012 177.353 175.510 -0.281 0.000 1.037 408 N CA 2.202 55.108 53.050 -0.239 0.000 0.855 408 N CB -0.513 37.848 38.487 -0.210 0.000 1.033 408 N HN 0.449 nan 8.380 nan 0.000 0.423 409 I N 0.736 121.122 120.570 -0.307 0.000 2.208 409 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 409 I C 1.944 177.925 176.117 -0.227 0.000 1.097 409 I CA 0.915 62.062 61.300 -0.254 0.000 1.363 409 I CB -0.081 37.772 38.000 -0.245 0.000 1.051 409 I HN 0.107 nan 8.210 nan 0.000 0.413 410 L N -0.204 120.857 121.223 -0.270 0.000 2.109 410 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 410 L C 2.368 178.944 176.870 -0.489 0.000 1.086 410 L CA 0.982 55.666 54.840 -0.259 0.000 0.760 410 L CB -0.449 41.450 42.059 -0.267 0.000 0.910 410 L HN 0.251 nan 8.230 nan 0.000 0.437 411 V N -3.807 115.673 119.914 -0.722 0.000 3.354 411 V HA 0.392 4.511 4.120 -0.000 0.000 0.258 411 V C 1.423 177.211 176.094 -0.510 0.000 1.159 411 V CA 0.710 62.346 62.300 -1.106 0.000 1.125 411 V CB -0.028 31.164 31.823 -1.053 0.000 0.774 411 V HN 0.503 nan 8.190 nan 0.000 0.464 412 G N 1.214 109.822 108.800 -0.320 0.000 2.175 412 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 412 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 412 G C 0.223 175.041 174.900 -0.138 0.000 0.982 412 G CA 0.289 45.280 45.100 -0.180 0.000 0.641 412 G HN 1.136 nan 8.290 nan 0.000 0.527 413 R N -0.894 119.512 120.500 -0.156 0.000 2.690 413 R HA 0.543 4.883 4.340 -0.000 0.000 0.269 413 R C -1.636 174.604 176.300 -0.099 0.000 1.037 413 R CA -0.689 55.350 56.100 -0.102 0.000 0.877 413 R CB 0.521 30.777 30.300 -0.074 0.000 1.255 413 R HN 0.047 nan 8.270 nan 0.000 0.467 414 D N 2.456 122.824 120.400 -0.053 0.000 2.382 414 D HA 0.104 4.744 4.640 -0.000 0.000 0.259 414 D C 0.684 176.981 176.300 -0.006 0.000 1.224 414 D CA -0.335 53.656 54.000 -0.014 0.000 0.894 414 D CB 0.668 41.487 40.800 0.033 0.000 1.127 414 D HN 0.600 nan 8.370 nan 0.000 0.487 415 I N 0.873 121.440 120.570 -0.004 0.000 4.147 415 I HA 0.401 4.571 4.170 -0.000 0.000 0.329 415 I C 1.643 177.800 176.117 0.065 0.000 1.424 415 I CA -0.706 60.598 61.300 0.007 0.000 1.127 415 I CB 0.560 38.542 38.000 -0.030 0.000 1.128 415 I HN 0.339 nan 8.210 nan 0.000 0.417 416 G N 2.040 110.917 108.800 0.127 0.000 2.545 416 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 416 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 416 G C 1.708 176.797 174.900 0.315 0.000 1.218 416 G CA 0.918 46.167 45.100 0.248 0.000 0.787 416 G HN 0.334 nan 8.290 nan 0.000 0.571 417 R N 0.677 121.321 120.500 0.241 0.000 2.139 417 R HA -0.114 4.225 4.340 -0.000 0.000 0.243 417 R C 2.623 178.920 176.300 -0.004 0.000 1.145 417 R CA 1.649 57.732 56.100 -0.029 0.000 0.976 417 R CB -0.118 30.061 30.300 -0.202 0.000 0.866 417 R HN 0.630 nan 8.270 nan 0.000 0.449 418 E N 0.190 120.399 120.200 0.015 0.000 2.250 418 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 418 E C 1.940 178.536 176.600 -0.007 0.000 0.986 418 E CA 0.581 56.977 56.400 -0.007 0.000 0.849 418 E CB -0.350 29.340 29.700 -0.017 0.000 0.797 418 E HN 0.396 nan 8.360 nan 0.000 0.482 419 I N 0.434 121.011 120.570 0.013 0.000 2.406 419 I HA -0.183 3.987 4.170 -0.000 0.000 0.249 419 I C 1.854 177.989 176.117 0.031 0.000 1.122 419 I CA 0.460 61.753 61.300 -0.012 0.000 1.431 419 I CB 0.129 38.154 38.000 0.042 0.000 1.087 419 I HN -0.000 nan 8.210 nan 0.000 0.424 420 L N 0.724 121.958 121.223 0.018 0.000 2.083 420 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 420 L C 2.521 179.393 176.870 0.005 0.000 1.083 420 L CA 1.994 56.809 54.840 -0.040 0.000 0.752 420 L CB -1.311 40.723 42.059 -0.043 0.000 0.899 420 L HN 0.214 nan 8.230 nan 0.000 0.433 421 T N -1.022 113.538 114.554 0.010 0.000 2.777 421 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 421 T C 1.843 176.562 174.700 0.032 0.000 1.040 421 T CA 1.023 63.127 62.100 0.008 0.000 1.141 421 T CB -0.065 68.795 68.868 -0.013 0.000 0.868 421 T HN 0.301 nan 8.240 nan 0.000 0.444 422 K N 0.756 121.181 120.400 0.042 0.000 2.209 422 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 422 K C 2.242 178.997 176.600 0.259 0.000 1.048 422 K CA 0.983 57.331 56.287 0.102 0.000 0.940 422 K CB -0.211 32.295 32.500 0.010 0.000 0.729 422 K HN 0.394 nan 8.250 nan 0.000 0.451 423 M N 0.586 120.310 119.600 0.208 0.000 2.156 423 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 423 M C 1.546 177.859 176.300 0.022 0.000 1.067 423 M CA 1.129 56.523 55.300 0.157 0.000 1.131 423 M CB -0.242 32.414 32.600 0.094 0.000 1.368 423 M HN 0.067 nan 8.290 nan 0.000 0.416 424 N N 1.002 119.712 118.700 0.016 0.000 2.205 424 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 424 N C 1.644 177.120 175.510 -0.057 0.000 1.015 424 N CA 1.514 54.556 53.050 -0.015 0.000 0.862 424 N CB -0.341 38.156 38.487 0.016 0.000 0.986 424 N HN 0.328 nan 8.380 nan 0.000 0.429 425 A N 1.106 123.905 122.820 -0.035 0.000 1.883 425 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 425 A C 1.950 179.414 177.584 -0.201 0.000 1.186 425 A CA 1.282 53.265 52.037 -0.090 0.000 0.624 425 A CB -0.835 18.119 19.000 -0.077 0.000 0.822 425 A HN 0.391 nan 8.150 nan 0.000 0.444 426 H N -1.224 117.681 119.070 -0.276 0.000 2.321 426 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 426 H C 2.134 176.860 175.328 -1.003 0.000 1.087 426 H CA 1.680 57.408 56.048 -0.534 0.000 1.319 426 H CB -0.323 29.096 29.762 -0.572 0.000 1.379 426 H HN 0.315 nan 8.280 nan 0.000 0.501 427 L N 1.567 122.322 121.223 -0.780 0.000 1.997 427 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 427 L C 2.582 179.281 176.870 -0.285 0.000 1.074 427 L CA 1.682 56.112 54.840 -0.682 0.000 0.763 427 L CB -0.842 41.063 42.059 -0.256 0.000 0.890 427 L HN 0.198 nan 8.230 nan 0.000 0.434 428 K N -0.928 119.379 120.400 -0.156 0.000 2.103 428 K HA -0.226 4.093 4.320 -0.000 0.000 0.207 428 K C 2.005 178.593 176.600 -0.019 0.000 1.048 428 K CA 1.581 57.849 56.287 -0.031 0.000 0.930 428 K CB -0.033 32.450 32.500 -0.027 0.000 0.716 428 K HN 0.481 nan 8.250 nan 0.000 0.444 429 Q N -0.689 119.050 119.800 -0.102 0.000 2.079 429 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 429 Q C 1.934 177.996 176.000 0.104 0.000 0.974 429 Q CA 1.460 57.253 55.803 -0.017 0.000 0.840 429 Q CB -0.136 28.575 28.738 -0.045 0.000 0.898 429 Q HN 0.444 nan 8.270 nan 0.000 0.430 430 W N 0.859 122.046 121.300 -0.189 0.000 2.355 430 W HA -0.115 4.545 4.660 -0.000 0.000 0.309 430 W C 2.352 178.906 176.519 0.059 0.000 1.206 430 W CA 1.231 58.403 57.345 -0.288 0.000 1.284 430 W CB -1.362 27.659 29.460 -0.732 0.000 1.145 430 W HN 0.115 nan 8.180 nan 0.000 0.502 431 T N 0.561 115.360 114.554 0.409 0.000 2.720 431 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 431 T C 1.465 176.353 174.700 0.313 0.000 1.037 431 T CA 2.033 64.425 62.100 0.487 0.000 1.144 431 T CB -0.337 68.752 68.868 0.369 0.000 0.864 431 T HN 0.293 nan 8.240 nan 0.000 0.444 432 E N 0.448 120.773 120.200 0.207 0.000 2.150 432 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 432 E C 2.461 179.145 176.600 0.139 0.000 0.985 432 E CA 0.460 56.944 56.400 0.141 0.000 0.814 432 E CB -0.068 29.686 29.700 0.090 0.000 0.752 432 E HN 0.254 nan 8.360 nan 0.000 0.466 433 R N 1.149 121.745 120.500 0.159 0.000 2.127 433 R HA -0.063 4.277 4.340 -0.000 0.000 0.217 433 R C 2.120 178.549 176.300 0.214 0.000 1.074 433 R CA 1.812 57.997 56.100 0.141 0.000 0.991 433 R CB -0.007 30.338 30.300 0.075 0.000 0.895 433 R HN 0.248 nan 8.270 nan 0.000 0.450 434 T N -4.539 110.218 114.554 0.338 0.000 3.023 434 T HA 0.216 4.566 4.350 -0.000 0.000 0.249 434 T C 1.340 176.187 174.700 0.245 0.000 1.050 434 T CA 0.780 63.135 62.100 0.426 0.000 1.088 434 T CB 0.561 69.902 68.868 0.788 0.000 0.946 434 T HN 0.337 nan 8.240 nan 0.000 0.480 435 G N 0.909 109.834 108.800 0.208 0.000 2.176 435 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.253 435 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.253 435 G C -0.158 174.679 174.900 -0.105 0.000 0.979 435 G CA -0.110 44.995 45.100 0.009 0.000 0.641 435 G HN 0.535 nan 8.290 nan 0.000 0.530 436 F N 1.224 121.333 119.950 0.266 0.000 2.385 436 F HA 0.661 5.188 4.527 -0.000 0.000 0.336 436 F C 0.966 176.860 175.800 0.157 0.000 1.100 436 F CA -0.293 57.765 58.000 0.096 0.000 1.116 436 F CB 1.770 40.695 39.000 -0.125 0.000 1.166 436 F HN 0.217 nan 8.300 nan 0.000 0.511 437 A N 5.013 127.957 122.820 0.207 0.000 2.981 437 A HA 0.340 4.660 4.320 -0.000 0.000 0.280 437 A C -0.587 177.115 177.584 0.197 0.000 1.743 437 A CA -0.271 51.893 52.037 0.211 0.000 1.430 437 A CB -1.589 17.486 19.000 0.124 0.000 1.085 437 A HN 0.513 nan 8.150 nan 0.000 0.597 438 F N 1.639 121.743 119.950 0.257 0.000 2.459 438 F HA 0.416 4.943 4.527 -0.000 0.000 0.346 438 F C 1.228 177.136 175.800 0.180 0.000 1.128 438 F CA 0.818 58.969 58.000 0.252 0.000 1.268 438 F CB 1.153 40.383 39.000 0.383 0.000 1.161 438 F HN 0.525 nan 8.300 nan 0.000 0.583 439 S N 2.478 118.393 115.700 0.359 0.000 2.570 439 S HA 0.514 4.984 4.470 -0.000 0.000 0.270 439 S C -1.217 173.566 174.600 0.305 0.000 1.149 439 S CA -1.169 57.199 58.200 0.279 0.000 0.837 439 S CB 1.179 64.522 63.200 0.238 0.000 1.124 439 S HN 0.595 nan 8.310 nan 0.000 0.465 440 L N 2.897 124.295 121.223 0.291 0.000 2.500 440 L HA 0.255 4.595 4.340 -0.000 0.000 0.272 440 L C -1.187 175.990 176.870 0.512 0.000 1.149 440 L CA -0.125 54.934 54.840 0.365 0.000 0.897 440 L CB -0.007 42.216 42.059 0.273 0.000 1.178 440 L HN 0.819 nan 8.230 nan 0.000 0.473 441 Y N 3.154 123.674 120.300 0.366 0.000 2.328 441 Y HA 0.195 4.744 4.550 -0.000 0.000 0.337 441 Y C 0.328 176.297 175.900 0.114 0.000 0.966 441 Y CA -1.210 57.035 58.100 0.241 0.000 1.136 441 Y CB 1.431 39.957 38.460 0.110 0.000 1.170 441 Y HN 0.556 nan 8.280 nan 0.000 0.470 442 S N 3.814 119.298 115.700 -0.359 0.000 3.483 442 S HA 0.147 4.617 4.470 -0.000 0.000 0.274 442 S C -0.056 173.987 174.600 -0.929 0.000 1.289 442 S CA -0.702 57.046 58.200 -0.753 0.000 0.938 442 S CB -0.816 62.163 63.200 -0.368 0.000 1.453 442 S HN 0.717 nan 8.310 nan 0.000 0.494 443 T N 5.019 119.109 114.554 -0.773 0.000 2.830 443 T HA -0.010 4.340 4.350 -0.000 0.000 0.282 443 T C -1.380 173.085 174.700 -0.392 0.000 1.024 443 T CA -0.268 61.564 62.100 -0.448 0.000 1.144 443 T CB -0.028 68.795 68.868 -0.075 0.000 1.035 443 T HN 0.322 nan 8.240 nan 0.000 0.507 444 P HA 0.036 nan 4.420 nan 0.000 0.216 444 P C 0.729 177.933 177.300 -0.161 0.000 1.153 444 P CA 1.194 64.160 63.100 -0.223 0.000 0.848 444 P CB -0.065 31.546 31.700 -0.149 0.000 0.787 445 A N -0.336 122.446 122.820 -0.064 0.000 2.362 445 A HA -0.272 4.048 4.320 -0.000 0.000 0.290 445 A C 1.417 178.945 177.584 -0.093 0.000 1.441 445 A CA 1.080 53.079 52.037 -0.064 0.000 0.743 445 A CB -2.262 16.683 19.000 -0.092 0.000 1.125 445 A HN 0.287 nan 8.150 nan 0.000 0.378 446 E N 0.746 120.927 120.200 -0.031 0.000 2.106 446 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 446 E C 1.627 178.233 176.600 0.011 0.000 0.984 446 E CA 2.168 58.565 56.400 -0.005 0.000 0.806 446 E CB -0.079 29.700 29.700 0.130 0.000 0.750 446 E HN 0.929 nan 8.360 nan 0.000 0.458 447 N N -0.387 118.323 118.700 0.016 0.000 2.420 447 N HA -0.074 4.665 4.740 -0.000 0.000 0.185 447 N C 1.574 177.027 175.510 -0.095 0.000 1.033 447 N CA 0.442 53.505 53.050 0.022 0.000 0.879 447 N CB -0.799 37.698 38.487 0.016 0.000 1.071 447 N HN 0.093 nan 8.380 nan 0.000 0.437 448 L N 1.898 122.980 121.223 -0.235 0.000 2.129 448 L HA -0.125 4.214 4.340 -0.000 0.000 0.212 448 L C 2.201 178.889 176.870 -0.304 0.000 1.087 448 L CA 1.111 55.679 54.840 -0.454 0.000 0.757 448 L CB -1.107 40.621 42.059 -0.553 0.000 0.896 448 L HN 0.632 nan 8.230 nan 0.000 0.434 449 C N -2.240 116.924 119.300 -0.226 0.000 2.401 449 C HA -0.199 4.260 4.460 -0.000 0.000 0.286 449 C C 2.369 177.180 174.990 -0.298 0.000 1.332 449 C CA 0.554 59.439 59.018 -0.221 0.000 1.795 449 C CB -1.673 25.870 27.740 -0.328 0.000 1.922 449 C HN 0.547 nan 8.230 nan 0.000 0.520 450 Y N 0.793 121.054 120.300 -0.064 0.000 2.353 450 Y HA 0.207 4.757 4.550 -0.000 0.000 0.294 450 Y C 2.849 178.671 175.900 -0.130 0.000 1.135 450 Y CA 1.021 59.085 58.100 -0.060 0.000 1.176 450 Y CB -0.942 37.492 38.460 -0.043 0.000 1.124 450 Y HN 0.157 nan 8.280 nan 0.000 0.537 451 R N -0.036 120.447 120.500 -0.028 0.000 2.115 451 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 451 R C 1.919 178.171 176.300 -0.080 0.000 1.133 451 R CA 2.259 58.287 56.100 -0.120 0.000 0.935 451 R CB -0.687 29.438 30.300 -0.293 0.000 0.853 451 R HN 0.180 nan 8.270 nan 0.000 0.433 452 F N 0.766 120.613 119.950 -0.170 0.000 2.065 452 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 452 F C 2.824 178.456 175.800 -0.280 0.000 1.112 452 F CA 1.213 59.123 58.000 -0.151 0.000 1.212 452 F CB -1.376 37.594 39.000 -0.050 0.000 0.975 452 F HN 0.266 nan 8.300 nan 0.000 0.476 453 C N 0.476 119.522 119.300 -0.423 0.000 2.413 453 C HA -0.230 4.230 4.460 -0.000 0.000 0.276 453 C C 2.810 177.713 174.990 -0.146 0.000 1.236 453 C CA 1.421 60.078 59.018 -0.602 0.000 1.735 453 C CB -1.195 26.178 27.740 -0.611 0.000 2.031 453 C HN 0.423 nan 8.230 nan 0.000 0.474 454 K N 0.107 120.474 120.400 -0.055 0.000 2.057 454 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 454 K C 1.907 178.529 176.600 0.036 0.000 1.050 454 K CA 1.369 57.660 56.287 0.007 0.000 0.935 454 K CB -0.291 32.219 32.500 0.017 0.000 0.715 454 K HN 0.505 nan 8.250 nan 0.000 0.439 455 L N 0.906 122.164 121.223 0.059 0.000 2.141 455 L HA -0.207 4.132 4.340 -0.000 0.000 0.209 455 L C 1.531 178.476 176.870 0.126 0.000 1.094 455 L CA 0.976 55.872 54.840 0.093 0.000 0.763 455 L CB -0.277 41.859 42.059 0.129 0.000 0.908 455 L HN 0.224 nan 8.230 nan 0.000 0.437 456 D N -1.060 119.420 120.400 0.135 0.000 2.162 456 D HA -0.116 4.524 4.640 -0.000 0.000 0.203 456 D C 2.164 178.589 176.300 0.208 0.000 0.967 456 D CA 1.216 55.330 54.000 0.189 0.000 0.840 456 D CB -0.087 40.820 40.800 0.179 0.000 0.972 456 D HN 0.153 nan 8.370 nan 0.000 0.482 457 T N 0.954 115.580 114.554 0.121 0.000 2.833 457 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 457 T C 1.680 176.437 174.700 0.095 0.000 1.054 457 T CA 0.880 63.042 62.100 0.103 0.000 1.135 457 T CB -0.076 68.824 68.868 0.053 0.000 0.869 457 T HN 0.251 nan 8.240 nan 0.000 0.466 458 E N 0.401 120.651 120.200 0.083 0.000 2.160 458 E HA -0.150 4.199 4.350 -0.000 0.000 0.195 458 E C 2.187 178.812 176.600 0.042 0.000 0.991 458 E CA 0.920 57.353 56.400 0.055 0.000 0.810 458 E CB 0.022 29.753 29.700 0.051 0.000 0.742 458 E HN 0.396 nan 8.360 nan 0.000 0.466 459 K N -0.582 119.864 120.400 0.078 0.000 2.287 459 K HA -0.009 4.311 4.320 -0.000 0.000 0.199 459 K C 0.664 177.132 176.600 -0.219 0.000 1.061 459 K CA 0.378 56.637 56.287 -0.046 0.000 0.976 459 K CB 0.408 32.912 32.500 0.007 0.000 0.898 459 K HN 0.051 nan 8.250 nan 0.000 0.492 460 Y N 0.524 120.832 120.300 0.013 0.000 2.584 460 Y HA 0.299 4.849 4.550 -0.000 0.000 0.254 460 Y C 0.904 176.801 175.900 -0.005 0.000 1.177 460 Y CA 0.024 58.123 58.100 -0.002 0.000 1.216 460 Y CB 0.763 39.210 38.460 -0.022 0.000 1.172 460 Y HN 0.302 nan 8.280 nan 0.000 0.529 461 G N 0.607 109.464 108.800 0.095 0.000 2.578 461 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.275 461 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.275 461 G C 0.135 175.075 174.900 0.067 0.000 1.271 461 G CA 0.052 45.189 45.100 0.061 0.000 0.941 461 G HN 0.357 nan 8.290 nan 0.000 0.564 462 S N -0.133 115.592 115.700 0.042 0.000 3.363 462 S HA 0.468 4.937 4.470 -0.000 0.000 0.267 462 S C 0.399 175.011 174.600 0.021 0.000 1.288 462 S CA -0.084 58.133 58.200 0.029 0.000 0.948 462 S CB -0.260 62.950 63.200 0.017 0.000 1.397 462 S HN 1.140 nan 8.310 nan 0.000 0.493 463 V N 6.605 126.532 119.914 0.021 0.000 2.446 463 V HA 0.119 4.239 4.120 -0.000 0.000 0.276 463 V C 0.928 177.007 176.094 -0.024 0.000 1.030 463 V CA -0.311 61.984 62.300 -0.008 0.000 1.033 463 V CB 0.129 31.925 31.823 -0.044 0.000 0.993 463 V HN 0.760 nan 8.190 nan 0.000 0.477 464 K N 5.344 125.732 120.400 -0.020 0.000 2.511 464 K HA -0.137 4.183 4.320 -0.000 0.000 0.277 464 K C 0.683 177.261 176.600 -0.037 0.000 1.025 464 K CA 0.738 57.011 56.287 -0.023 0.000 1.112 464 K CB -0.058 32.436 32.500 -0.011 0.000 0.859 464 K HN 0.863 nan 8.250 nan 0.000 0.485 465 D N 0.944 121.319 120.400 -0.042 0.000 2.705 465 D HA -0.204 4.436 4.640 -0.000 0.000 0.187 465 D C 0.688 176.954 176.300 -0.057 0.000 1.015 465 D CA 1.369 55.342 54.000 -0.045 0.000 1.030 465 D CB -0.717 40.067 40.800 -0.026 0.000 1.100 465 D HN 0.329 nan 8.370 nan 0.000 0.439 466 V N 0.281 120.160 119.914 -0.058 0.000 3.355 466 V HA 0.013 4.132 4.120 -0.000 0.000 0.210 466 V C 2.461 178.584 176.094 0.048 0.000 1.157 466 V CA 1.577 63.856 62.300 -0.034 0.000 1.336 466 V CB -0.481 31.298 31.823 -0.073 0.000 1.317 466 V HN 0.303 nan 8.190 nan 0.000 0.503 467 T N -0.573 114.025 114.554 0.073 0.000 3.118 467 T HA -0.115 4.235 4.350 -0.000 0.000 0.260 467 T C 1.383 176.070 174.700 -0.021 0.000 1.139 467 T CA 1.038 63.178 62.100 0.066 0.000 1.085 467 T CB -0.485 68.429 68.868 0.076 0.000 0.934 467 T HN 0.638 nan 8.240 nan 0.000 0.518 468 D N 3.229 123.602 120.400 -0.044 0.000 2.117 468 D HA -0.238 4.401 4.640 -0.000 0.000 0.197 468 D C 1.918 178.163 176.300 -0.091 0.000 0.987 468 D CA 1.547 55.515 54.000 -0.052 0.000 0.829 468 D CB -0.506 40.267 40.800 -0.045 0.000 0.961 468 D HN 0.667 nan 8.370 nan 0.000 0.460 469 K N -0.283 119.984 120.400 -0.221 0.000 2.362 469 K HA 0.035 4.355 4.320 -0.000 0.000 0.200 469 K C 1.551 178.037 176.600 -0.190 0.000 1.046 469 K CA 1.295 57.364 56.287 -0.363 0.000 0.952 469 K CB -0.129 31.827 32.500 -0.906 0.000 0.753 469 K HN 0.307 nan 8.250 nan 0.000 0.466 470 G N 0.556 109.304 108.800 -0.085 0.000 2.232 470 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 470 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 470 G C -0.270 174.800 174.900 0.284 0.000 0.996 470 G CA 0.206 45.406 45.100 0.167 0.000 0.626 470 G HN 0.606 nan 8.290 nan 0.000 0.509 471 W N -0.554 120.751 121.300 0.007 0.000 3.042 471 W HA 0.832 5.492 4.660 -0.000 0.000 0.342 471 W C -1.242 175.258 176.519 -0.031 0.000 1.240 471 W CA -2.455 54.794 57.345 -0.161 0.000 1.166 471 W CB 0.622 29.883 29.460 -0.333 0.000 1.469 471 W HN 0.030 nan 8.180 nan 0.000 0.579 472 Y N 1.114 121.464 120.300 0.083 0.000 2.457 472 Y HA 0.547 5.097 4.550 -0.000 0.000 0.333 472 Y C 0.748 176.748 175.900 0.166 0.000 1.119 472 Y CA -2.205 55.905 58.100 0.018 0.000 1.143 472 Y CB 1.480 39.971 38.460 0.050 0.000 1.230 472 Y HN 0.364 nan 8.280 nan 0.000 0.469 473 T N 1.994 116.696 114.554 0.248 0.000 2.907 473 T HA 0.041 4.391 4.350 -0.000 0.000 0.298 473 T C 0.168 174.886 174.700 0.029 0.000 1.017 473 T CA -0.544 61.656 62.100 0.167 0.000 1.118 473 T CB 0.029 68.943 68.868 0.076 0.000 0.948 473 T HN 0.504 nan 8.240 nan 0.000 0.531 474 N N 2.438 121.079 118.700 -0.097 0.000 2.412 474 N HA 0.034 4.774 4.740 -0.000 0.000 0.258 474 N C 1.242 176.417 175.510 -0.558 0.000 1.236 474 N CA 1.105 53.935 53.050 -0.367 0.000 0.882 474 N CB 0.294 38.441 38.487 -0.566 0.000 1.066 474 N HN 0.788 nan 8.380 nan 0.000 0.465 475 S N 3.318 118.701 115.700 -0.530 0.000 4.152 475 S HA -0.380 4.090 4.470 -0.000 0.000 0.538 475 S C 0.900 175.396 174.600 -0.173 0.000 1.066 475 S CA 2.019 59.915 58.200 -0.507 0.000 3.499 475 S CB -1.461 61.200 63.200 -0.899 0.000 2.223 475 S HN 0.921 nan 8.310 nan 0.000 0.462 476 F N 1.337 121.245 119.950 -0.070 0.000 2.684 476 F HA 0.581 5.108 4.527 -0.000 0.000 0.298 476 F C 0.707 176.479 175.800 -0.047 0.000 1.120 476 F CA -1.073 56.783 58.000 -0.240 0.000 1.332 476 F CB -1.180 37.329 39.000 -0.819 0.000 0.986 476 F HN 0.465 nan 8.300 nan 0.000 0.524 477 H N 0.430 119.334 119.070 -0.278 0.000 2.629 477 H HA 0.355 4.911 4.556 -0.000 0.000 0.357 477 H C 0.157 175.505 175.328 0.032 0.000 1.121 477 H CA -0.962 55.030 56.048 -0.093 0.000 1.406 477 H CB 1.774 31.442 29.762 -0.157 0.000 1.456 477 H HN 0.007 nan 8.280 nan 0.000 0.579 478 V N 2.008 122.036 119.914 0.190 0.000 2.963 478 V HA -0.100 4.020 4.120 -0.000 0.000 0.306 478 V C 0.775 176.885 176.094 0.027 0.000 1.077 478 V CA 0.116 62.501 62.300 0.140 0.000 1.124 478 V CB 1.553 33.455 31.823 0.132 0.000 0.987 478 V HN 0.746 nan 8.190 nan 0.000 0.487 479 S N 1.966 117.576 115.700 -0.151 0.000 2.562 479 S HA 0.094 4.564 4.470 -0.000 0.000 0.281 479 S C 1.168 175.730 174.600 -0.064 0.000 1.333 479 S CA -0.144 57.871 58.200 -0.307 0.000 1.052 479 S CB 1.256 64.003 63.200 -0.755 0.000 0.884 479 S HN 0.852 nan 8.310 nan 0.000 0.506 480 V N 3.204 123.130 119.914 0.019 0.000 2.261 480 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 480 V C 1.720 177.849 176.094 0.059 0.000 1.047 480 V CA 2.080 64.420 62.300 0.067 0.000 1.015 480 V CB -1.488 30.411 31.823 0.126 0.000 0.642 480 V HN 0.945 nan 8.190 nan 0.000 0.446 481 E N 0.850 121.091 120.200 0.067 0.000 2.501 481 E HA -0.051 4.298 4.350 -0.000 0.000 0.203 481 E C 1.017 177.643 176.600 0.043 0.000 1.072 481 E CA 0.533 56.969 56.400 0.060 0.000 0.885 481 E CB -0.200 29.534 29.700 0.055 0.000 0.813 481 E HN 0.839 nan 8.360 nan 0.000 0.556 482 E N 0.945 121.165 120.200 0.033 0.000 2.312 482 E HA 0.117 4.467 4.350 -0.000 0.000 0.259 482 E C -0.118 176.515 176.600 0.056 0.000 1.122 482 E CA -0.392 56.040 56.400 0.054 0.000 0.922 482 E CB 0.602 30.342 29.700 0.067 0.000 1.109 482 E HN -0.062 nan 8.360 nan 0.000 0.442 483 N N 2.464 121.201 118.700 0.061 0.000 2.757 483 N HA 0.164 4.904 4.740 -0.000 0.000 0.296 483 N C -1.300 174.249 175.510 0.066 0.000 1.874 483 N CA -0.207 52.878 53.050 0.058 0.000 0.885 483 N CB -0.095 38.423 38.487 0.051 0.000 1.242 483 N HN 0.288 nan 8.380 nan 0.000 0.488 484 I N -1.583 119.033 120.570 0.075 0.000 3.204 484 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 484 I C 0.846 177.022 176.117 0.098 0.000 1.082 484 I CA -0.897 60.456 61.300 0.089 0.000 1.033 484 I CB -0.261 37.800 38.000 0.102 0.000 1.304 484 I HN -0.119 nan 8.210 nan 0.000 0.536 485 T N 3.206 117.835 114.554 0.124 0.000 2.889 485 T HA 0.264 4.613 4.350 -0.000 0.000 0.291 485 T C -1.714 173.080 174.700 0.156 0.000 0.995 485 T CA -0.847 61.351 62.100 0.164 0.000 1.092 485 T CB 1.078 70.086 68.868 0.234 0.000 0.954 485 T HN 0.522 nan 8.240 nan 0.000 0.506 486 P HA -0.193 nan 4.420 nan 0.000 0.217 486 P C 1.248 178.537 177.300 -0.017 0.000 1.158 486 P CA 1.675 64.756 63.100 -0.032 0.000 0.887 486 P CB -0.097 31.476 31.700 -0.211 0.000 0.792 487 F N 0.128 120.179 119.950 0.167 0.000 2.171 487 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 487 F C 2.651 178.616 175.800 0.275 0.000 1.090 487 F CA 1.259 59.432 58.000 0.289 0.000 1.293 487 F CB -1.291 37.689 39.000 -0.033 0.000 1.013 487 F HN -0.035 nan 8.300 nan 0.000 0.486 488 E N 0.981 121.380 120.200 0.333 0.000 2.072 488 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 488 E C 2.124 178.826 176.600 0.170 0.000 0.982 488 E CA 1.108 57.638 56.400 0.217 0.000 0.803 488 E CB -0.264 29.533 29.700 0.162 0.000 0.755 488 E HN 0.291 nan 8.360 nan 0.000 0.453 489 K N 0.375 120.868 120.400 0.154 0.000 2.009 489 K HA -0.153 4.166 4.320 -0.000 0.000 0.210 489 K C 2.399 179.076 176.600 0.128 0.000 1.049 489 K CA 1.835 58.204 56.287 0.137 0.000 0.929 489 K CB -0.485 32.088 32.500 0.121 0.000 0.714 489 K HN 0.331 nan 8.250 nan 0.000 0.440 490 I N -1.190 119.432 120.570 0.086 0.000 2.361 490 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 490 I C 2.211 178.297 176.117 -0.052 0.000 1.133 490 I CA 1.733 63.026 61.300 -0.012 0.000 1.413 490 I CB -0.291 37.567 38.000 -0.236 0.000 1.073 490 I HN 0.048 nan 8.210 nan 0.000 0.424 491 S N 1.026 116.717 115.700 -0.016 0.000 2.383 491 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 491 S C 2.149 176.787 174.600 0.064 0.000 1.026 491 S CA 0.883 59.074 58.200 -0.014 0.000 0.981 491 S CB -0.300 62.938 63.200 0.063 0.000 0.818 491 S HN 0.528 nan 8.310 nan 0.000 0.472 492 R N 0.671 121.243 120.500 0.120 0.000 2.148 492 R HA 0.046 4.386 4.340 -0.000 0.000 0.223 492 R C 1.947 178.412 176.300 0.274 0.000 1.088 492 R CA 1.111 57.315 56.100 0.173 0.000 0.985 492 R CB -0.227 30.187 30.300 0.189 0.000 0.880 492 R HN 0.620 nan 8.270 nan 0.000 0.451 493 E N 0.747 121.115 120.200 0.281 0.000 2.127 493 E HA 0.061 4.410 4.350 -0.000 0.000 0.191 493 E C 2.119 178.907 176.600 0.314 0.000 0.964 493 E CA 0.506 57.171 56.400 0.443 0.000 0.832 493 E CB -0.102 29.897 29.700 0.498 0.000 0.790 493 E HN 0.182 nan 8.360 nan 0.000 0.465 494 A N 3.020 125.912 122.820 0.119 0.000 1.957 494 A HA -0.230 4.090 4.320 -0.000 0.000 0.224 494 A C -0.086 177.599 177.584 0.169 0.000 1.287 494 A CA 2.328 54.376 52.037 0.019 0.000 0.682 494 A CB -1.883 17.119 19.000 0.003 0.000 0.833 494 A HN 0.226 nan 8.150 nan 0.000 0.482 495 P HA -0.181 nan 4.420 nan 0.000 0.218 495 P C 0.951 178.194 177.300 -0.095 0.000 1.148 495 P CA 1.481 64.548 63.100 -0.055 0.000 0.822 495 P CB -0.340 31.190 31.700 -0.283 0.000 0.784 496 Y N -0.299 119.898 120.300 -0.171 0.000 2.293 496 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 496 Y C 2.841 178.452 175.900 -0.481 0.000 1.137 496 Y CA 1.129 58.929 58.100 -0.499 0.000 1.202 496 Y CB -1.582 36.050 38.460 -1.379 0.000 0.990 496 Y HN 0.202 nan 8.280 nan 0.000 0.537 497 H N -1.770 117.039 119.070 -0.435 0.000 2.489 497 H HA -0.152 4.403 4.556 -0.000 0.000 0.295 497 H C 1.035 175.766 175.328 -0.996 0.000 1.082 497 H CA 1.348 56.908 56.048 -0.814 0.000 1.295 497 H CB -0.183 29.169 29.762 -0.684 0.000 1.380 497 H HN 0.372 nan 8.280 nan 0.000 0.548 498 F N -0.805 119.008 119.950 -0.230 0.000 2.746 498 F HA 0.128 4.655 4.527 -0.000 0.000 0.297 498 F C 2.064 177.789 175.800 -0.125 0.000 1.113 498 F CA 0.135 58.032 58.000 -0.172 0.000 1.367 498 F CB 0.267 39.183 39.000 -0.140 0.000 1.111 498 F HN 0.042 nan 8.300 nan 0.000 0.590 499 I N -0.656 119.922 120.570 0.013 0.000 2.947 499 I HA 0.127 4.297 4.170 -0.000 0.000 0.263 499 I C 1.464 177.623 176.117 0.071 0.000 1.130 499 I CA 0.259 61.575 61.300 0.027 0.000 1.448 499 I CB -0.210 37.784 38.000 -0.009 0.000 1.222 499 I HN -0.081 nan 8.210 nan 0.000 0.453 500 A N 1.465 124.350 122.820 0.110 0.000 3.091 500 A HA 0.184 4.504 4.320 -0.000 0.000 0.264 500 A C 1.452 179.245 177.584 0.349 0.000 1.673 500 A CA 0.086 52.290 52.037 0.279 0.000 1.362 500 A CB -1.002 18.298 19.000 0.500 0.000 1.137 500 A HN 0.489 nan 8.150 nan 0.000 0.617 501 T N -2.193 112.519 114.554 0.262 0.000 3.007 501 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 501 T C 1.658 176.615 174.700 0.428 0.000 1.107 501 T CA 1.452 63.738 62.100 0.311 0.000 1.118 501 T CB -0.143 68.835 68.868 0.184 0.000 0.889 501 T HN 0.501 nan 8.240 nan 0.000 0.506 502 G N 0.735 109.787 108.800 0.420 0.000 2.534 502 G HA2 0.450 4.410 3.960 -0.000 0.000 0.217 502 G HA3 0.450 4.410 3.960 -0.000 0.000 0.217 502 G C 0.611 175.822 174.900 0.518 0.000 1.128 502 G CA 0.138 45.489 45.100 0.418 0.000 0.784 502 G HN 1.020 nan 8.290 nan 0.000 0.542 503 G N -0.499 108.614 108.800 0.521 0.000 2.473 503 G HA2 0.540 4.499 3.960 -0.000 0.000 0.298 503 G HA3 0.540 4.499 3.960 -0.000 0.000 0.298 503 G C -1.349 173.685 174.900 0.223 0.000 1.575 503 G CA -0.420 44.866 45.100 0.310 0.000 0.846 503 G HN 0.836 nan 8.290 nan 0.000 0.585 504 H N -0.254 119.003 119.070 0.311 0.000 3.020 504 H HA 0.738 5.294 4.556 -0.000 0.000 0.303 504 H C -1.940 173.444 175.328 0.094 0.000 1.332 504 H CA -0.811 55.345 56.048 0.180 0.000 1.282 504 H CB 1.504 31.334 29.762 0.112 0.000 1.928 504 H HN 0.974 nan 8.280 nan 0.000 0.519 505 I N 0.717 121.318 120.570 0.052 0.000 2.897 505 I HA 0.358 4.527 4.170 -0.000 0.000 0.299 505 I C -1.392 174.663 176.117 -0.104 0.000 1.527 505 I CA -0.273 60.919 61.300 -0.180 0.000 0.979 505 I CB 2.447 40.054 38.000 -0.656 0.000 1.360 505 I HN 0.702 nan 8.210 nan 0.000 0.495 506 S N 3.447 119.070 115.700 -0.129 0.000 2.536 506 S HA 0.758 5.228 4.470 -0.000 0.000 0.287 506 S C -1.674 172.627 174.600 -0.499 0.000 1.101 506 S CA -0.316 57.791 58.200 -0.154 0.000 0.950 506 S CB 1.634 65.085 63.200 0.419 0.000 1.056 506 S HN 0.396 nan 8.310 nan 0.000 0.481 507 Y N 0.415 120.545 120.300 -0.284 0.000 2.598 507 Y HA 0.801 5.350 4.550 -0.000 0.000 0.340 507 Y C -0.058 175.749 175.900 -0.156 0.000 1.038 507 Y CA -0.978 56.902 58.100 -0.367 0.000 1.100 507 Y CB 1.509 39.780 38.460 -0.315 0.000 1.281 507 Y HN 0.411 nan 8.280 nan 0.000 0.488 508 V N 1.616 121.561 119.914 0.052 0.000 2.932 508 V HA 0.496 4.616 4.120 -0.000 0.000 0.307 508 V C -1.412 174.697 176.094 0.025 0.000 1.147 508 V CA -0.684 61.676 62.300 0.101 0.000 0.951 508 V CB 2.113 34.076 31.823 0.234 0.000 1.031 508 V HN 0.761 nan 8.190 nan 0.000 0.426 509 E N 5.018 125.226 120.200 0.013 0.000 2.197 509 E HA 0.591 4.940 4.350 -0.000 0.000 0.281 509 E C -1.400 175.199 176.600 -0.001 0.000 0.995 509 E CA -0.382 56.008 56.400 -0.017 0.000 0.808 509 E CB 1.969 31.657 29.700 -0.021 0.000 1.093 509 E HN 0.449 nan 8.360 nan 0.000 0.394 510 L N 3.762 124.977 121.223 -0.013 0.000 2.376 510 L HA 0.473 4.813 4.340 -0.000 0.000 0.258 510 L C -2.213 174.649 176.870 -0.014 0.000 1.013 510 L CA -1.876 52.962 54.840 -0.004 0.000 0.822 510 L CB 1.746 43.805 42.059 -0.000 0.000 1.388 510 L HN 0.328 nan 8.230 nan 0.000 0.413 511 P HA 0.073 nan 4.420 nan 0.000 0.289 511 P C -0.772 176.522 177.300 -0.010 0.000 1.299 511 P CA -0.478 62.618 63.100 -0.006 0.000 0.766 511 P CB 0.501 32.204 31.700 0.005 0.000 1.226 512 D N 0.267 120.665 120.400 -0.004 0.000 2.571 512 D HA -0.051 4.589 4.640 -0.000 0.000 0.231 512 D C 0.534 176.831 176.300 -0.005 0.000 1.133 512 D CA 0.645 54.643 54.000 -0.003 0.000 0.862 512 D CB 0.370 41.189 40.800 0.031 0.000 1.179 512 D HN 0.108 nan 8.370 nan 0.000 0.474 513 M N 3.111 122.698 119.600 -0.021 0.000 2.289 513 M HA 0.058 4.538 4.480 -0.000 0.000 0.335 513 M C 1.555 177.835 176.300 -0.034 0.000 0.961 513 M CA -0.159 55.124 55.300 -0.028 0.000 1.018 513 M CB -0.228 32.343 32.600 -0.047 0.000 1.678 513 M HN 0.326 nan 8.290 nan 0.000 0.589 514 K N 2.474 122.855 120.400 -0.032 0.000 2.148 514 K HA -0.209 4.111 4.320 -0.000 0.000 0.213 514 K C 0.054 176.636 176.600 -0.029 0.000 1.050 514 K CA 2.163 58.428 56.287 -0.037 0.000 0.932 514 K CB -0.330 32.142 32.500 -0.047 0.000 0.717 514 K HN 0.500 nan 8.250 nan 0.000 0.462 515 N N -0.057 118.634 118.700 -0.015 0.000 2.886 515 N HA 0.130 4.870 4.740 -0.000 0.000 0.285 515 N C -0.723 174.784 175.510 -0.006 0.000 1.706 515 N CA -0.453 52.593 53.050 -0.008 0.000 0.904 515 N CB 1.014 39.505 38.487 0.006 0.000 1.224 515 N HN 0.021 nan 8.380 nan 0.000 0.488 516 N N 0.539 119.227 118.700 -0.020 0.000 2.300 516 N HA 0.020 4.760 4.740 -0.000 0.000 0.231 516 N C -0.069 175.416 175.510 -0.042 0.000 1.406 516 N CA -0.039 53.001 53.050 -0.017 0.000 1.064 516 N CB -0.276 38.206 38.487 -0.008 0.000 1.280 516 N HN 0.157 nan 8.380 nan 0.000 0.547 517 L N 0.479 121.665 121.223 -0.062 0.000 2.357 517 L HA -0.097 4.243 4.340 -0.000 0.000 0.220 517 L C 2.171 178.978 176.870 -0.105 0.000 1.123 517 L CA 1.353 56.125 54.840 -0.113 0.000 0.782 517 L CB -0.316 41.678 42.059 -0.110 0.000 0.910 517 L HN 0.157 nan 8.230 nan 0.000 0.442 518 K N -0.407 119.968 120.400 -0.041 0.000 2.103 518 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 518 K C 2.092 178.695 176.600 0.004 0.000 1.052 518 K CA 1.191 57.475 56.287 -0.004 0.000 0.945 518 K CB -0.732 31.785 32.500 0.028 0.000 0.722 518 K HN 0.255 nan 8.250 nan 0.000 0.443 519 G N 0.805 109.607 108.800 0.003 0.000 2.403 519 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 519 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 519 G C 1.384 176.281 174.900 -0.005 0.000 1.154 519 G CA 0.423 45.542 45.100 0.033 0.000 0.784 519 G HN 0.265 nan 8.290 nan 0.000 0.538 520 L N 0.674 121.846 121.223 -0.086 0.000 2.017 520 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 520 L C 2.634 179.338 176.870 -0.278 0.000 1.073 520 L CA 2.347 57.078 54.840 -0.181 0.000 0.745 520 L CB -0.533 41.363 42.059 -0.272 0.000 0.894 520 L HN 0.449 nan 8.230 nan 0.000 0.432 521 E N -0.304 119.728 120.200 -0.280 0.000 2.333 521 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 521 E C 1.911 178.540 176.600 0.049 0.000 1.007 521 E CA 0.946 57.222 56.400 -0.207 0.000 0.845 521 E CB 0.115 29.742 29.700 -0.121 0.000 0.766 521 E HN 0.583 nan 8.360 nan 0.000 0.507 522 A N 0.702 123.571 122.820 0.081 0.000 1.929 522 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 522 A C 2.365 180.090 177.584 0.235 0.000 1.176 522 A CA 1.230 53.388 52.037 0.201 0.000 0.628 522 A CB -0.661 18.486 19.000 0.244 0.000 0.816 522 A HN 0.321 nan 8.150 nan 0.000 0.444 523 V N -3.308 116.670 119.914 0.105 0.000 2.323 523 V HA -0.153 3.967 4.120 -0.000 0.000 0.244 523 V C 2.085 178.287 176.094 0.179 0.000 1.041 523 V CA 1.629 63.943 62.300 0.023 0.000 1.025 523 V CB -1.129 30.705 31.823 0.018 0.000 0.656 523 V HN 0.588 nan 8.190 nan 0.000 0.451 524 W N 1.302 122.643 121.300 0.069 0.000 2.318 524 W HA -0.089 4.571 4.660 -0.000 0.000 0.313 524 W C 2.387 178.913 176.519 0.011 0.000 1.221 524 W CA 1.939 59.327 57.345 0.072 0.000 1.266 524 W CB -0.985 28.547 29.460 0.120 0.000 1.150 524 W HN 0.352 nan 8.180 nan 0.000 0.496 525 D N -1.822 118.785 120.400 0.346 0.000 2.097 525 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 525 D C 1.924 178.379 176.300 0.259 0.000 0.989 525 D CA 1.512 55.667 54.000 0.257 0.000 0.827 525 D CB -0.967 39.988 40.800 0.259 0.000 0.966 525 D HN 0.107 nan 8.370 nan 0.000 0.456 526 Y N 1.612 121.995 120.300 0.138 0.000 2.181 526 Y HA -0.152 4.398 4.550 -0.000 0.000 0.288 526 Y C 2.179 178.120 175.900 0.067 0.000 1.146 526 Y CA 1.318 59.510 58.100 0.153 0.000 1.164 526 Y CB -0.714 37.867 38.460 0.201 0.000 0.982 526 Y HN -0.057 nan 8.280 nan 0.000 0.515 527 A N 0.506 123.170 122.820 -0.260 0.000 1.858 527 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 527 A C 2.477 179.893 177.584 -0.280 0.000 1.190 527 A CA 2.077 53.773 52.037 -0.570 0.000 0.617 527 A CB -1.566 16.622 19.000 -1.354 0.000 0.827 527 A HN 0.558 nan 8.150 nan 0.000 0.443 528 A N -1.112 121.627 122.820 -0.136 0.000 2.084 528 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 528 A C 2.075 179.645 177.584 -0.024 0.000 1.161 528 A CA 2.262 54.271 52.037 -0.047 0.000 0.653 528 A CB -0.415 18.588 19.000 0.004 0.000 0.802 528 A HN 0.610 nan 8.150 nan 0.000 0.457 529 Q N -0.771 119.028 119.800 -0.002 0.000 2.061 529 Q HA -0.076 4.263 4.340 -0.000 0.000 0.195 529 Q C 1.618 177.504 176.000 -0.191 0.000 0.967 529 Q CA 2.082 57.859 55.803 -0.042 0.000 0.829 529 Q CB -0.324 28.447 28.738 0.055 0.000 0.900 529 Q HN 0.752 nan 8.270 nan 0.000 0.450 530 H N -1.121 117.836 119.070 -0.189 0.000 2.497 530 H HA 0.254 4.810 4.556 -0.000 0.000 0.282 530 H C -0.135 175.131 175.328 -0.103 0.000 1.003 530 H CA 0.863 56.804 56.048 -0.179 0.000 1.307 530 H CB 0.208 29.765 29.762 -0.341 0.000 1.437 530 H HN 0.238 nan 8.280 nan 0.000 0.544 531 L N -2.852 118.297 121.223 -0.125 0.000 2.171 531 L HA 0.506 4.846 4.340 -0.000 0.000 0.253 531 L C 0.812 177.571 176.870 -0.185 0.000 1.054 531 L CA -0.932 53.727 54.840 -0.302 0.000 0.927 531 L CB 0.341 41.874 42.059 -0.876 0.000 1.513 531 L HN -0.237 nan 8.230 nan 0.000 0.471 532 D N -1.473 118.865 120.400 -0.102 0.000 2.648 532 D HA 0.013 4.653 4.640 -0.000 0.000 0.261 532 D C -0.429 176.079 176.300 0.348 0.000 1.261 532 D CA 0.836 54.922 54.000 0.142 0.000 1.011 532 D CB 0.180 41.047 40.800 0.111 0.000 1.092 532 D HN 0.429 nan 8.370 nan 0.000 0.417 533 Y N 0.828 121.387 120.300 0.431 0.000 2.341 533 Y HA 0.466 5.016 4.550 -0.000 0.000 0.340 533 Y C -1.408 174.711 175.900 0.365 0.000 0.997 533 Y CA -1.711 56.571 58.100 0.304 0.000 1.149 533 Y CB -0.030 38.615 38.460 0.309 0.000 1.171 533 Y HN -0.080 nan 8.280 nan 0.000 0.494 534 F N 3.570 123.618 119.950 0.164 0.000 2.576 534 F HA 0.810 5.337 4.527 -0.000 0.000 0.313 534 F C -0.553 175.155 175.800 -0.154 0.000 1.078 534 F CA -0.818 57.138 58.000 -0.074 0.000 0.921 534 F CB 2.415 41.382 39.000 -0.056 0.000 1.232 534 F HN 0.579 nan 8.300 nan 0.000 0.459 535 G N 3.007 111.158 108.800 -1.082 0.000 2.719 535 G HA2 0.536 4.496 3.960 -0.000 0.000 0.298 535 G HA3 0.536 4.496 3.960 -0.000 0.000 0.298 535 G C -2.430 172.010 174.900 -0.768 0.000 1.411 535 G CA -0.766 43.953 45.100 -0.635 0.000 0.991 535 G HN 0.937 nan 8.290 nan 0.000 0.509 536 V N 1.841 121.525 119.914 -0.384 0.000 2.409 536 V HA 0.714 4.834 4.120 -0.000 0.000 0.291 536 V C -1.179 174.836 176.094 -0.131 0.000 1.020 536 V CA -1.113 61.068 62.300 -0.199 0.000 0.848 536 V CB 1.291 33.158 31.823 0.074 0.000 0.990 536 V HN 0.848 nan 8.190 nan 0.000 0.430 537 N N 7.375 125.968 118.700 -0.179 0.000 2.392 537 N HA 0.707 5.446 4.740 -0.000 0.000 0.283 537 N C -0.545 174.874 175.510 -0.151 0.000 1.003 537 N CA -0.729 52.188 53.050 -0.222 0.000 0.892 537 N CB 1.716 39.978 38.487 -0.376 0.000 1.193 537 N HN 0.851 nan 8.380 nan 0.000 0.487 538 M N -1.223 118.300 119.600 -0.128 0.000 2.691 538 M HA 0.703 5.183 4.480 -0.000 0.000 0.293 538 M C -2.870 173.364 176.300 -0.111 0.000 1.259 538 M CA -2.127 53.117 55.300 -0.094 0.000 0.827 538 M CB 2.420 34.982 32.600 -0.063 0.000 1.753 538 M HN 0.182 nan 8.290 nan 0.000 0.465 539 P HA 0.092 nan 4.420 nan 0.000 0.267 539 P C -0.775 176.451 177.300 -0.123 0.000 1.209 539 P CA 0.044 63.073 63.100 -0.119 0.000 0.763 539 P CB 1.003 32.643 31.700 -0.100 0.000 0.816 540 V N 3.625 123.450 119.914 -0.149 0.000 2.320 540 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 540 V C -1.211 174.789 176.094 -0.157 0.000 1.021 540 V CA -0.508 61.713 62.300 -0.130 0.000 0.813 540 V CB 0.730 32.486 31.823 -0.111 0.000 1.054 540 V HN 0.311 nan 8.190 nan 0.000 0.444 541 D N 4.122 124.420 120.400 -0.169 0.000 2.340 541 D HA 0.627 5.267 4.640 -0.000 0.000 0.243 541 D C -0.789 175.433 176.300 -0.130 0.000 0.988 541 D CA -0.374 53.505 54.000 -0.201 0.000 0.959 541 D CB 2.178 42.805 40.800 -0.288 0.000 1.226 541 D HN 0.619 nan 8.370 nan 0.000 0.509 542 K N 0.518 120.841 120.400 -0.127 0.000 2.588 542 K HA 0.330 4.650 4.320 -0.000 0.000 0.250 542 K C -1.619 174.918 176.600 -0.104 0.000 0.972 542 K CA -0.560 55.700 56.287 -0.046 0.000 0.821 542 K CB 1.665 34.214 32.500 0.081 0.000 1.249 542 K HN 0.546 nan 8.250 nan 0.000 0.442 543 C N 5.772 125.044 119.300 -0.046 0.000 2.415 543 C HA 0.396 4.856 4.460 -0.000 0.000 0.369 543 C C 1.383 176.448 174.990 0.126 0.000 1.279 543 C CA -0.608 58.372 59.018 -0.063 0.000 1.886 543 C CB -0.801 26.930 27.740 -0.015 0.000 2.468 543 C HN 0.869 nan 8.230 nan 0.000 0.553 544 F N 2.909 122.857 119.950 -0.003 0.000 2.187 544 F HA -0.004 4.523 4.527 -0.000 0.000 0.295 544 F C 2.670 178.473 175.800 0.004 0.000 1.091 544 F CA 1.730 59.730 58.000 0.000 0.000 1.308 544 F CB -1.476 37.526 39.000 0.004 0.000 1.030 544 F HN 0.719 nan 8.300 nan 0.000 0.487 545 T N -1.947 112.721 114.554 0.190 0.000 2.737 545 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 545 T C 2.022 176.770 174.700 0.080 0.000 1.038 545 T CA 1.566 63.732 62.100 0.110 0.000 1.144 545 T CB -1.336 67.575 68.868 0.071 0.000 0.866 545 T HN 0.425 nan 8.240 nan 0.000 0.434 546 C N 0.667 120.008 119.300 0.069 0.000 2.912 546 C HA 0.724 5.184 4.460 -0.000 0.000 0.274 546 C C 1.936 176.960 174.990 0.056 0.000 1.248 546 C CA -0.503 58.547 59.018 0.054 0.000 1.694 546 C CB -1.050 26.716 27.740 0.043 0.000 2.024 546 C HN 1.000 nan 8.230 nan 0.000 0.605 547 G N 1.880 110.724 108.800 0.073 0.000 2.298 547 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.287 547 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.287 547 G C -0.044 174.872 174.900 0.027 0.000 1.075 547 G CA 0.646 45.784 45.100 0.062 0.000 0.960 547 G HN 1.289 nan 8.290 nan 0.000 0.502 548 S N 0.095 115.809 115.700 0.022 0.000 2.423 548 S HA 0.573 5.042 4.470 -0.000 0.000 0.317 548 S C 1.262 175.817 174.600 -0.075 0.000 1.065 548 S CA 0.527 58.727 58.200 0.000 0.000 1.111 548 S CB 0.633 63.880 63.200 0.078 0.000 0.968 548 S HN 1.195 nan 8.310 nan 0.000 0.474 549 T N 2.605 117.037 114.554 -0.204 0.000 3.535 549 T HA 0.254 4.604 4.350 -0.000 0.000 0.238 549 T C 0.095 174.607 174.700 -0.313 0.000 0.909 549 T CA -0.226 61.740 62.100 -0.223 0.000 0.928 549 T CB -0.692 68.050 68.868 -0.209 0.000 1.134 549 T HN 0.653 nan 8.240 nan 0.000 0.627 550 H N 0.863 119.904 119.070 -0.049 0.000 2.569 550 H HA 0.388 4.944 4.556 -0.000 0.000 0.357 550 H C -0.098 175.179 175.328 -0.085 0.000 1.153 550 H CA -1.042 54.974 56.048 -0.054 0.000 1.193 550 H CB 1.426 31.167 29.762 -0.036 0.000 1.602 550 H HN 0.452 nan 8.280 nan 0.000 0.523 551 E N 3.268 123.505 120.200 0.061 0.000 2.498 551 E HA -0.030 4.320 4.350 -0.000 0.000 0.252 551 E C 0.058 176.634 176.600 -0.041 0.000 1.025 551 E CA -0.277 56.098 56.400 -0.042 0.000 0.938 551 E CB 0.331 30.017 29.700 -0.023 0.000 0.947 551 E HN 0.309 nan 8.360 nan 0.000 0.478 552 M N 2.890 122.409 119.600 -0.135 0.000 2.245 552 M HA 0.031 4.511 4.480 -0.000 0.000 0.330 552 M C 0.471 176.832 176.300 0.102 0.000 1.098 552 M CA 0.255 55.530 55.300 -0.042 0.000 1.172 552 M CB 0.393 32.918 32.600 -0.126 0.000 1.467 552 M HN 0.466 nan 8.290 nan 0.000 0.454 553 T N 0.746 115.386 114.554 0.144 0.000 2.767 553 T HA 0.486 4.836 4.350 -0.000 0.000 0.288 553 T C -2.486 172.332 174.700 0.197 0.000 0.963 553 T CA -1.813 60.373 62.100 0.144 0.000 1.019 553 T CB 0.670 69.576 68.868 0.064 0.000 0.923 553 T HN 0.418 nan 8.240 nan 0.000 0.468 554 P HA 0.167 nan 4.420 nan 0.000 0.267 554 P C -0.407 176.844 177.300 -0.083 0.000 1.205 554 P CA -0.015 63.058 63.100 -0.045 0.000 0.765 554 P CB 0.529 32.188 31.700 -0.068 0.000 0.828 555 T N 2.345 116.806 114.554 -0.154 0.000 2.950 555 T HA 0.162 4.511 4.350 -0.000 0.000 0.288 555 T C 1.148 175.770 174.700 -0.131 0.000 1.035 555 T CA -0.506 61.531 62.100 -0.105 0.000 1.028 555 T CB 0.979 69.799 68.868 -0.081 0.000 1.109 555 T HN 0.300 nan 8.240 nan 0.000 0.514 556 E N 1.433 121.580 120.200 -0.089 0.000 2.515 556 E HA -0.026 4.324 4.350 -0.000 0.000 0.201 556 E C 0.162 176.706 176.600 -0.094 0.000 1.071 556 E CA 0.525 56.875 56.400 -0.083 0.000 0.880 556 E CB -0.140 29.527 29.700 -0.055 0.000 0.828 556 E HN 0.397 nan 8.360 nan 0.000 0.540 557 N N 0.188 118.823 118.700 -0.108 0.000 2.628 557 N HA 0.280 5.020 4.740 -0.000 0.000 0.299 557 N C 0.170 175.600 175.510 -0.133 0.000 1.834 557 N CA 0.517 53.505 53.050 -0.104 0.000 0.871 557 N CB 1.512 39.958 38.487 -0.068 0.000 1.377 557 N HN 0.151 nan 8.380 nan 0.000 0.493 558 G N 0.561 109.225 108.800 -0.226 0.000 2.526 558 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.250 558 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.250 558 G C -1.255 173.427 174.900 -0.364 0.000 1.289 558 G CA -0.941 43.972 45.100 -0.311 0.000 0.947 558 G HN 0.081 nan 8.290 nan 0.000 0.517 559 F N 0.311 120.228 119.950 -0.054 0.000 2.397 559 F HA 0.626 5.153 4.527 -0.000 0.000 0.331 559 F C 1.042 176.812 175.800 -0.052 0.000 1.090 559 F CA -0.090 57.877 58.000 -0.054 0.000 1.065 559 F CB 1.973 40.932 39.000 -0.067 0.000 1.184 559 F HN 0.685 nan 8.300 nan 0.000 0.499 560 V N -0.150 119.868 119.914 0.173 0.000 2.656 560 V HA 0.457 4.577 4.120 -0.000 0.000 0.307 560 V C -0.531 175.601 176.094 0.064 0.000 1.051 560 V CA -1.307 61.040 62.300 0.078 0.000 0.893 560 V CB 0.981 32.830 31.823 0.043 0.000 0.999 560 V HN 0.928 nan 8.190 nan 0.000 0.426 561 C N 4.072 123.391 119.300 0.032 0.000 2.566 561 C HA 0.381 4.841 4.460 -0.000 0.000 0.393 561 C C 2.078 177.080 174.990 0.021 0.000 1.309 561 C CA 0.747 59.777 59.018 0.020 0.000 1.801 561 C CB -0.139 27.607 27.740 0.010 0.000 2.493 561 C HN 1.115 nan 8.230 nan 0.000 0.575 562 S N 4.221 119.932 115.700 0.019 0.000 2.344 562 S HA -0.159 4.311 4.470 -0.000 0.000 0.217 562 S C 1.098 175.700 174.600 0.004 0.000 1.033 562 S CA 1.676 59.878 58.200 0.004 0.000 1.017 562 S CB -0.212 62.977 63.200 -0.018 0.000 0.941 562 S HN 0.914 nan 8.310 nan 0.000 0.430 563 I N -0.300 120.277 120.570 0.012 0.000 2.571 563 I HA 0.418 4.588 4.170 -0.000 0.000 0.282 563 I C 0.458 176.591 176.117 0.027 0.000 1.085 563 I CA -0.312 60.999 61.300 0.018 0.000 1.677 563 I CB -0.329 37.687 38.000 0.027 0.000 1.460 563 I HN 0.488 nan 8.210 nan 0.000 0.693 564 C N 0.152 119.464 119.300 0.020 0.000 4.290 564 C HA 0.212 4.671 4.460 -0.000 0.000 0.358 564 C C 1.579 176.579 174.990 0.016 0.000 2.869 564 C CA -0.092 58.938 59.018 0.020 0.000 1.566 564 C CB -1.015 26.741 27.740 0.027 0.000 1.872 564 C HN 1.131 nan 8.230 nan 0.000 0.370 565 G N 1.595 110.403 108.800 0.013 0.000 2.230 565 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.270 565 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.270 565 G C -0.094 174.812 174.900 0.011 0.000 0.987 565 G CA 1.525 46.632 45.100 0.011 0.000 0.664 565 G HN 1.425 nan 8.290 nan 0.000 0.539 566 E N 0.576 120.782 120.200 0.010 0.000 2.502 566 E HA 0.361 4.711 4.350 -0.000 0.000 0.261 566 E C 1.605 178.207 176.600 0.003 0.000 0.974 566 E CA 1.313 57.716 56.400 0.004 0.000 0.936 566 E CB 0.436 30.134 29.700 -0.004 0.000 0.926 566 E HN 0.626 nan 8.360 nan 0.000 0.459 567 T N -0.058 114.496 114.554 0.000 0.000 3.048 567 T HA 0.075 4.425 4.350 -0.000 0.000 0.254 567 T C 0.257 174.954 174.700 -0.006 0.000 0.942 567 T CA 0.132 62.234 62.100 0.003 0.000 0.931 567 T CB -0.303 68.565 68.868 0.001 0.000 1.220 567 T HN 0.423 nan 8.240 nan 0.000 0.503 568 D N 4.093 124.488 120.400 -0.008 0.000 2.502 568 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 568 D C -1.476 174.809 176.300 -0.025 0.000 1.188 568 D CA -1.534 52.461 54.000 -0.009 0.000 0.890 568 D CB 1.228 42.029 40.800 0.003 0.000 1.140 568 D HN 0.064 nan 8.370 nan 0.000 0.505 569 P HA -0.189 nan 4.420 nan 0.000 0.216 569 P C 0.800 178.065 177.300 -0.059 0.000 1.153 569 P CA 1.604 64.684 63.100 -0.032 0.000 0.858 569 P CB 0.129 31.823 31.700 -0.010 0.000 0.789 570 K N -0.610 119.785 120.400 -0.009 0.000 2.442 570 K HA -0.097 4.223 4.320 -0.000 0.000 0.198 570 K C 1.102 177.750 176.600 0.081 0.000 1.044 570 K CA 0.806 57.121 56.287 0.047 0.000 0.948 570 K CB -0.126 32.416 32.500 0.069 0.000 0.762 570 K HN 0.106 nan 8.250 nan 0.000 0.472 571 K N 0.717 121.095 120.400 -0.036 0.000 2.500 571 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 571 K C 0.334 176.574 176.600 -0.601 0.000 1.034 571 K CA 0.170 56.437 56.287 -0.033 0.000 1.179 571 K CB 0.134 32.646 32.500 0.020 0.000 0.884 571 K HN 0.301 nan 8.250 nan 0.000 0.493 572 M N -2.289 116.638 119.600 -1.122 0.000 2.732 572 M HA 0.311 4.791 4.480 -0.000 0.000 0.272 572 M C -1.589 174.067 176.300 -1.072 0.000 1.203 572 M CA -0.790 53.690 55.300 -1.368 0.000 0.841 572 M CB 1.875 34.154 32.600 -0.535 0.000 1.685 572 M HN -0.157 nan 8.290 nan 0.000 0.492 573 N N 1.255 119.555 118.700 -0.666 0.000 2.531 573 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 573 N C -1.553 173.846 175.510 -0.184 0.000 1.023 573 N CA -0.200 52.734 53.050 -0.193 0.000 0.896 573 N CB 1.540 40.094 38.487 0.112 0.000 1.233 573 N HN 0.822 nan 8.380 nan 0.000 0.512 574 T N 2.290 116.740 114.554 -0.174 0.000 2.963 574 T HA 0.378 4.727 4.350 -0.000 0.000 0.343 574 T C -0.065 174.535 174.700 -0.167 0.000 1.146 574 T CA -0.732 61.215 62.100 -0.255 0.000 1.016 574 T CB 0.182 68.790 68.868 -0.434 0.000 1.046 574 T HN 0.200 nan 8.240 nan 0.000 0.496 575 I N 3.380 123.854 120.570 -0.160 0.000 2.396 575 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 575 I C 0.498 176.525 176.117 -0.149 0.000 0.999 575 I CA -0.949 60.273 61.300 -0.129 0.000 1.310 575 I CB 0.986 38.914 38.000 -0.119 0.000 1.404 575 I HN 0.589 nan 8.210 nan 0.000 0.496 576 R N 4.374 124.795 120.500 -0.131 0.000 2.515 576 R HA 0.246 4.586 4.340 -0.000 0.000 0.278 576 R C -0.419 175.773 176.300 -0.180 0.000 1.107 576 R CA -0.784 55.229 56.100 -0.146 0.000 0.945 576 R CB 1.984 32.232 30.300 -0.087 0.000 1.219 576 R HN 0.545 nan 8.270 nan 0.000 0.434 577 R N 1.959 122.305 120.500 -0.257 0.000 3.657 577 R HA 0.061 4.401 4.340 -0.000 0.000 0.220 577 R C 0.721 176.810 176.300 -0.352 0.000 1.548 577 R CA 0.215 56.115 56.100 -0.333 0.000 1.465 577 R CB -0.003 30.006 30.300 -0.485 0.000 1.330 577 R HN 0.724 nan 8.270 nan 0.000 0.707 578 T N -1.886 112.523 114.554 -0.242 0.000 2.915 578 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 578 T C 1.406 175.957 174.700 -0.248 0.000 1.071 578 T CA 0.865 62.830 62.100 -0.225 0.000 1.132 578 T CB 0.002 68.770 68.868 -0.166 0.000 0.878 578 T HN 0.527 nan 8.240 nan 0.000 0.479 579 C N -0.804 118.355 119.300 -0.235 0.000 2.958 579 C HA 0.852 5.312 4.460 -0.000 0.000 0.402 579 C C 2.672 177.557 174.990 -0.176 0.000 1.718 579 C CA 0.277 59.178 59.018 -0.195 0.000 2.267 579 C CB 0.147 27.795 27.740 -0.153 0.000 2.382 579 C HN 0.639 nan 8.230 nan 0.000 0.598 580 A N -1.929 120.766 122.820 -0.210 0.000 1.857 580 A HA 0.533 4.853 4.320 -0.000 0.000 0.198 580 A C -0.074 177.277 177.584 -0.390 0.000 1.775 580 A CA 0.326 52.187 52.037 -0.293 0.000 1.281 580 A CB -0.041 18.689 19.000 -0.450 0.000 1.355 580 A HN 0.463 nan 8.150 nan 0.000 0.417 581 Y N -0.374 119.874 120.300 -0.087 0.000 2.631 581 Y HA 0.694 5.244 4.550 -0.000 0.000 0.328 581 Y C -0.025 175.747 175.900 -0.213 0.000 1.118 581 Y CA -1.394 56.616 58.100 -0.150 0.000 1.206 581 Y CB 0.567 38.931 38.460 -0.160 0.000 1.337 581 Y HN 0.086 nan 8.280 nan 0.000 0.515 582 L N 0.606 121.796 121.223 -0.054 0.000 2.387 582 L HA 0.891 5.231 4.340 -0.000 0.000 0.266 582 L C 0.499 177.307 176.870 -0.104 0.000 1.059 582 L CA -0.264 54.491 54.840 -0.142 0.000 0.801 582 L CB 1.100 43.043 42.059 -0.193 0.000 1.223 582 L HN 0.796 nan 8.230 nan 0.000 0.456 583 G N -0.190 108.552 108.800 -0.095 0.000 2.368 583 G HA2 0.172 4.132 3.960 -0.000 0.000 0.293 583 G HA3 0.172 4.132 3.960 -0.000 0.000 0.293 583 G C -1.895 172.977 174.900 -0.047 0.000 1.467 583 G CA -0.747 44.312 45.100 -0.067 0.000 0.804 583 G HN 0.487 nan 8.290 nan 0.000 0.535 584 N N 1.347 120.034 118.700 -0.022 0.000 2.406 584 N HA 0.300 5.040 4.740 -0.000 0.000 0.251 584 N C -1.293 174.240 175.510 0.039 0.000 1.069 584 N CA -2.019 51.040 53.050 0.015 0.000 0.947 584 N CB 1.865 40.363 38.487 0.018 0.000 1.111 584 N HN 0.171 nan 8.380 nan 0.000 0.497 585 P HA -0.046 nan 4.420 nan 0.000 0.236 585 P C -0.062 177.240 177.300 0.004 0.000 1.172 585 P CA 0.752 63.881 63.100 0.048 0.000 0.759 585 P CB 0.038 31.787 31.700 0.081 0.000 0.843 586 N N 0.156 118.875 118.700 0.031 0.000 2.383 586 N HA 0.007 4.747 4.740 -0.000 0.000 0.192 586 N C -0.216 175.271 175.510 -0.038 0.000 1.141 586 N CA 0.061 53.089 53.050 -0.037 0.000 0.851 586 N CB 0.081 38.569 38.487 0.002 0.000 0.976 586 N HN 0.181 nan 8.380 nan 0.000 0.465 587 E N 1.251 121.434 120.200 -0.029 0.000 3.568 587 E HA 0.328 4.678 4.350 -0.000 0.000 0.213 587 E C -0.845 175.727 176.600 -0.046 0.000 1.197 587 E CA -0.242 56.137 56.400 -0.034 0.000 1.126 587 E CB 0.735 30.423 29.700 -0.020 0.000 1.285 587 E HN 0.064 nan 8.360 nan 0.000 0.418 588 R N 0.739 121.200 120.500 -0.065 0.000 4.498 588 R HA 0.482 4.821 4.340 -0.000 0.000 0.244 588 R C -1.375 174.865 176.300 -0.100 0.000 0.975 588 R CA -0.116 55.933 56.100 -0.085 0.000 1.233 588 R CB 0.535 30.785 30.300 -0.083 0.000 1.221 588 R HN 0.530 nan 8.270 nan 0.000 0.619 589 G N 0.000 108.732 108.800 -0.114 0.000 5.446 589 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 589 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 589 G CA 0.000 45.036 45.100 -0.107 0.000 0.502 589 G HN 0.000 nan 8.290 nan 0.000 0.925