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 1iv8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISATYRLQL NKNFNFGDVI DNLWYFXDLG VSHLYLSPVL MASPGSNHGY DATA SEQUENCE DVIDHSRIND ELGGEKEYRR LIETAHTIGL GIIQDIVPNH MAVNSLNWRL DATA SEQUENCE MDVLXMGXXS XYYTYFDFFP EDDKIRLPIL GEDLDTVISK GLLKIVKDGD DATA SEQUENCE EYFLEYFKWK LPLTEVGNDI YDTLQKQNYT LMSWKNPPSY RRFFDVNTLI DATA SEQUENCE GVNVEXDHVF QESHSXILDL DVDGYRIDHI DGLYDPEKYI NDLRSIIKNX DATA SEQUENCE IIIVEKILGF QEELKLNSDG TTGYDFLNYS NLLFNFNQEI MDSIYENFTA DATA SEQUENCE EKISISESIX KIKAQIIDEL FSYEVXRLAS QLGISYDILR DYLScIDVYR DATA SEQUENCE TYANQIVKEc DKTNEIEEAT KRNPEAYTKL QQYMPAVYAX AYEDTFLFRY DATA SEQUENCE NRLISINEVG SDLRYYKISP DQFHVFNQKR RGKITLNATS THDTKFSEDV DATA SEQUENCE RMKISVLSEF PEEWKNXVEE WHSIINPKVS RNDEYRYYQV LVGSFYEGFS DATA SEQUENCE NDFXERIXQH MIXSVREAXI NTSWRNQNKE YENRVMELVE ETFTNKDFIK DATA SEQUENCE SFMKFESXIR RIGMIKSLSL VALKIMSAGI PDFYQGTEIW RYLLTDPDNR DATA SEQUENCE VPVDFKKLHE ILEKSXKFEK NMLESMDDGR IKMYLTYXLL SLRKQLAEDF DATA SEQUENCE LKGEYKGLDL EEGLCGFIRF NKILVIIKTK GSVNYKLKLE EGAIYTDVLT DATA SEQUENCE GEEIKKEVQI NELPRILVRM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.101 176.300 -0.332 0.000 1.140 1 M CA 0.000 54.998 55.300 -0.503 0.000 0.988 1 M CB 0.000 32.126 32.600 -0.791 0.000 1.302 2 I N 0.063 120.570 120.570 -0.105 0.000 4.895 2 I HA -0.455 3.716 4.170 0.002 0.000 0.039 2 I C 1.120 177.252 176.117 0.025 0.000 0.635 2 I CA 2.861 64.175 61.300 0.023 0.000 0.271 2 I CB -2.339 35.751 38.000 0.149 0.000 0.354 2 I HN 1.031 nan 8.210 nan 0.000 0.150 3 S N 0.999 116.740 115.700 0.069 0.000 2.593 3 S HA 0.725 5.196 4.470 0.002 0.000 0.235 3 S C 0.306 174.940 174.600 0.056 0.000 1.059 3 S CA 0.721 58.950 58.200 0.048 0.000 0.953 3 S CB 1.566 64.795 63.200 0.047 0.000 0.897 3 S HN 1.813 nan 8.310 nan 0.000 0.507 4 A N 1.254 124.137 122.820 0.106 0.000 2.573 4 A HA 0.610 4.931 4.320 0.002 0.000 0.299 4 A C -0.490 177.219 177.584 0.208 0.000 1.060 4 A CA -0.295 51.842 52.037 0.165 0.000 0.736 4 A CB 0.631 19.768 19.000 0.227 0.000 1.280 4 A HN 0.619 nan 8.150 nan 0.000 0.401 5 T N -1.180 113.513 114.554 0.232 0.000 2.940 5 T HA 0.737 5.088 4.350 0.002 0.000 0.288 5 T C -0.861 174.084 174.700 0.409 0.000 1.033 5 T CA -0.600 61.658 62.100 0.263 0.000 1.033 5 T CB 1.575 70.525 68.868 0.138 0.000 1.079 5 T HN 1.157 nan 8.240 nan 0.000 0.496 6 Y N 0.978 121.412 120.300 0.223 0.000 2.331 6 Y HA 0.501 5.052 4.550 0.002 0.000 0.326 6 Y C -0.090 175.890 175.900 0.133 0.000 1.020 6 Y CA -1.175 57.032 58.100 0.179 0.000 1.136 6 Y CB 1.277 39.728 38.460 -0.013 0.000 1.157 6 Y HN 0.611 nan 8.280 nan 0.000 0.444 7 R N 6.486 127.047 120.500 0.102 0.000 2.316 7 R HA 0.347 4.688 4.340 0.002 0.000 0.314 7 R C -1.567 174.702 176.300 -0.052 0.000 1.069 7 R CA 0.079 56.145 56.100 -0.057 0.000 0.959 7 R CB -0.106 30.186 30.300 -0.014 0.000 0.987 7 R HN 0.810 nan 8.270 nan 0.000 0.446 8 L N 4.445 125.660 121.223 -0.012 0.000 2.341 8 L HA 0.326 4.667 4.340 0.002 0.000 0.278 8 L C 0.183 177.067 176.870 0.022 0.000 1.005 8 L CA -0.790 54.097 54.840 0.078 0.000 0.818 8 L CB 2.124 44.310 42.059 0.211 0.000 1.259 8 L HN 0.248 nan 8.230 nan 0.000 0.418 9 Q N 4.876 124.679 119.800 0.005 0.000 2.441 9 Q HA 0.408 4.749 4.340 0.002 0.000 0.234 9 Q C -0.641 175.446 176.000 0.145 0.000 1.078 9 Q CA -0.207 55.611 55.803 0.025 0.000 0.907 9 Q CB 1.388 30.131 28.738 0.009 0.000 1.269 9 Q HN 0.540 nan 8.270 nan 0.000 0.502 10 L N 3.885 125.188 121.223 0.133 0.000 2.349 10 L HA 0.369 4.710 4.340 0.002 0.000 0.275 10 L C 0.777 177.663 176.870 0.026 0.000 1.115 10 L CA -0.053 54.867 54.840 0.132 0.000 0.820 10 L CB 0.342 42.423 42.059 0.036 0.000 1.135 10 L HN 0.658 nan 8.230 nan 0.000 0.445 11 N N 1.486 120.197 118.700 0.018 0.000 3.339 11 N HA 0.071 4.812 4.740 0.002 0.000 0.275 11 N C -0.024 175.449 175.510 -0.062 0.000 1.514 11 N CA -0.911 52.115 53.050 -0.040 0.000 0.879 11 N CB 1.488 39.975 38.487 -0.001 0.000 1.557 11 N HN 0.326 nan 8.380 nan 0.000 0.524 12 K N 0.186 120.544 120.400 -0.069 0.000 2.127 12 K HA -0.119 4.202 4.320 0.002 0.000 0.208 12 K C 0.723 177.304 176.600 -0.031 0.000 1.047 12 K CA 2.176 58.420 56.287 -0.070 0.000 0.927 12 K CB -0.316 32.149 32.500 -0.059 0.000 0.716 12 K HN 0.487 nan 8.250 nan 0.000 0.450 13 N N -1.254 117.460 118.700 0.025 0.000 2.336 13 N HA 0.040 4.781 4.740 0.002 0.000 0.189 13 N C -0.902 174.719 175.510 0.184 0.000 1.113 13 N CA -0.016 53.079 53.050 0.075 0.000 0.858 13 N CB 0.416 38.950 38.487 0.079 0.000 0.970 13 N HN 0.033 nan 8.380 nan 0.000 0.471 14 F N 1.367 121.302 119.950 -0.025 0.000 3.167 14 F HA 0.281 4.809 4.527 0.002 0.000 0.389 14 F C -0.972 174.794 175.800 -0.056 0.000 1.233 14 F CA -1.249 56.750 58.000 -0.000 0.000 1.238 14 F CB -0.064 38.971 39.000 0.058 0.000 1.971 14 F HN -0.079 nan 8.300 nan 0.000 0.651 15 N N 1.427 119.923 118.700 -0.341 0.000 2.495 15 N HA 0.339 5.080 4.740 0.002 0.000 0.294 15 N C 1.053 176.352 175.510 -0.352 0.000 1.276 15 N CA -0.533 52.280 53.050 -0.394 0.000 0.973 15 N CB 0.139 38.432 38.487 -0.323 0.000 1.143 15 N HN 0.271 nan 8.380 nan 0.000 0.589 16 F N -1.246 118.614 119.950 -0.149 0.000 2.154 16 F HA -0.055 4.473 4.527 0.002 0.000 0.301 16 F C 2.470 178.175 175.800 -0.158 0.000 1.087 16 F CA 0.948 58.878 58.000 -0.116 0.000 1.274 16 F CB -0.422 38.567 39.000 -0.020 0.000 1.009 16 F HN 0.688 nan 8.300 nan 0.000 0.485 17 G N -0.329 108.482 108.800 0.018 0.000 2.422 17 G HA2 -0.207 3.754 3.960 0.002 0.000 0.218 17 G HA3 -0.207 3.754 3.960 0.002 0.000 0.218 17 G C 1.227 176.055 174.900 -0.120 0.000 1.140 17 G CA 1.002 46.079 45.100 -0.038 0.000 0.775 17 G HN 0.235 nan 8.290 nan 0.000 0.545 18 D N 0.328 120.573 120.400 -0.257 0.000 2.149 18 D HA -0.065 4.576 4.640 0.002 0.000 0.201 18 D C 2.771 178.835 176.300 -0.394 0.000 0.972 18 D CA 0.552 54.330 54.000 -0.371 0.000 0.835 18 D CB -0.216 40.193 40.800 -0.653 0.000 0.966 18 D HN 0.207 nan 8.370 nan 0.000 0.476 19 V N 1.617 121.279 119.914 -0.419 0.000 2.295 19 V HA -0.219 3.902 4.120 0.002 0.000 0.246 19 V C 2.595 178.680 176.094 -0.016 0.000 1.049 19 V CA 1.102 63.319 62.300 -0.138 0.000 1.024 19 V CB -0.373 31.427 31.823 -0.038 0.000 0.648 19 V HN 0.174 nan 8.190 nan 0.000 0.447 20 I N 0.276 120.815 120.570 -0.051 0.000 2.264 20 I HA -0.269 3.902 4.170 0.002 0.000 0.248 20 I C 2.177 178.275 176.117 -0.031 0.000 1.111 20 I CA 1.627 62.899 61.300 -0.045 0.000 1.382 20 I CB -0.495 37.476 38.000 -0.048 0.000 1.060 20 I HN 0.342 nan 8.210 nan 0.000 0.418 21 D N 0.659 121.039 120.400 -0.034 0.000 2.264 21 D HA -0.126 4.515 4.640 0.002 0.000 0.208 21 D C 1.293 177.602 176.300 0.014 0.000 0.966 21 D CA 1.141 55.141 54.000 -0.000 0.000 0.864 21 D CB -0.357 40.437 40.800 -0.009 0.000 0.933 21 D HN 0.451 nan 8.370 nan 0.000 0.499 22 N N -0.658 118.009 118.700 -0.055 0.000 2.203 22 N HA 0.179 4.920 4.740 0.002 0.000 0.207 22 N C 1.481 176.798 175.510 -0.322 0.000 1.130 22 N CA -0.169 52.760 53.050 -0.203 0.000 0.861 22 N CB 0.614 38.803 38.487 -0.497 0.000 1.005 22 N HN 0.017 nan 8.380 nan 0.000 0.507 23 L N -0.820 120.355 121.223 -0.079 0.000 2.043 23 L HA -0.162 4.179 4.340 0.002 0.000 0.212 23 L C 1.539 178.312 176.870 -0.160 0.000 1.075 23 L CA 1.627 56.434 54.840 -0.056 0.000 0.752 23 L CB -0.272 41.675 42.059 -0.186 0.000 0.891 23 L HN 0.427 nan 8.230 nan 0.000 0.432 24 W N -1.452 119.790 121.300 -0.097 0.000 2.425 24 W HA -0.230 4.431 4.660 0.002 0.000 0.277 24 W C 2.588 178.997 176.519 -0.184 0.000 1.231 24 W CA 0.630 57.907 57.345 -0.113 0.000 1.248 24 W CB -0.240 29.161 29.460 -0.099 0.000 1.117 24 W HN 0.138 nan 8.180 nan 0.000 0.568 25 Y N -0.049 120.114 120.300 -0.228 0.000 2.163 25 Y HA -0.054 4.497 4.550 0.002 0.000 0.288 25 Y C 1.019 176.752 175.900 -0.279 0.000 1.136 25 Y CA 0.628 58.476 58.100 -0.421 0.000 1.147 25 Y CB -0.980 37.038 38.460 -0.737 0.000 0.987 25 Y HN -0.252 nan 8.280 nan 0.000 0.509 29 L N 0.326 121.451 121.223 -0.163 0.000 2.131 29 L HA 0.159 4.500 4.340 0.002 0.000 0.210 29 L C 1.470 178.317 176.870 -0.039 0.000 1.092 29 L CA 2.235 56.989 54.840 -0.142 0.000 0.759 29 L CB -0.139 41.684 42.059 -0.393 0.000 0.903 29 L HN 0.483 nan 8.230 nan 0.000 0.435 30 G N -1.336 107.430 108.800 -0.056 0.000 2.205 30 G HA2 -0.197 3.764 3.960 0.002 0.000 0.180 30 G HA3 -0.197 3.764 3.960 0.002 0.000 0.180 30 G C 0.110 174.983 174.900 -0.046 0.000 1.004 30 G CA 0.015 45.080 45.100 -0.059 0.000 0.670 30 G HN 0.079 nan 8.290 nan 0.000 0.496 31 V N 2.272 122.159 119.914 -0.046 0.000 2.637 31 V HA 0.429 4.550 4.120 0.002 0.000 0.296 31 V C 1.761 177.861 176.094 0.010 0.000 1.046 31 V CA 1.157 63.463 62.300 0.010 0.000 1.066 31 V CB 1.483 33.311 31.823 0.009 0.000 0.968 31 V HN 0.815 nan 8.190 nan 0.000 0.483 32 S N 2.883 118.620 115.700 0.062 0.000 2.483 32 S HA 0.148 4.619 4.470 0.002 0.000 0.221 32 S C 0.575 175.111 174.600 -0.107 0.000 1.030 32 S CA 0.038 58.252 58.200 0.023 0.000 0.925 32 S CB 0.127 63.412 63.200 0.141 0.000 0.795 32 S HN 0.791 nan 8.310 nan 0.000 0.511 33 H N 0.450 119.523 119.070 0.005 0.000 2.667 33 H HA 0.438 4.995 4.556 0.002 0.000 0.353 33 H C -1.166 174.174 175.328 0.020 0.000 1.072 33 H CA -0.726 55.322 56.048 0.001 0.000 1.214 33 H CB 1.653 31.414 29.762 -0.002 0.000 1.600 33 H HN 0.172 nan 8.280 nan 0.000 0.527 34 L N 3.338 124.596 121.223 0.058 0.000 2.349 34 L HA 0.174 4.515 4.340 0.002 0.000 0.275 34 L C -0.255 176.726 176.870 0.185 0.000 1.115 34 L CA -0.338 54.521 54.840 0.032 0.000 0.820 34 L CB 0.744 42.740 42.059 -0.104 0.000 1.135 34 L HN 0.557 nan 8.230 nan 0.000 0.445 35 Y N 5.080 125.421 120.300 0.068 0.000 2.587 35 Y HA 0.458 5.009 4.550 0.002 0.000 0.328 35 Y C -0.586 175.369 175.900 0.092 0.000 0.980 35 Y CA -1.143 57.010 58.100 0.087 0.000 1.272 35 Y CB 0.667 39.189 38.460 0.105 0.000 1.094 35 Y HN 0.436 nan 8.280 nan 0.000 0.503 36 L N 5.419 126.776 121.223 0.223 0.000 2.350 36 L HA 0.366 4.707 4.340 0.002 0.000 0.275 36 L C 0.643 177.535 176.870 0.037 0.000 1.099 36 L CA -0.731 54.175 54.840 0.110 0.000 0.808 36 L CB 1.345 43.513 42.059 0.182 0.000 1.149 36 L HN 0.623 nan 8.230 nan 0.000 0.442 37 S N 1.762 117.436 115.700 -0.042 0.000 2.600 37 S HA 0.319 4.790 4.470 0.002 0.000 0.265 37 S C -2.462 172.084 174.600 -0.091 0.000 1.325 37 S CA -1.275 56.849 58.200 -0.126 0.000 1.002 37 S CB 0.189 63.297 63.200 -0.154 0.000 0.921 37 S HN 0.380 nan 8.310 nan 0.000 0.554 38 P HA 0.013 nan 4.420 nan 0.000 0.261 38 P C 0.681 177.909 177.300 -0.120 0.000 1.173 38 P CA 0.027 63.021 63.100 -0.177 0.000 0.760 38 P CB 0.278 31.766 31.700 -0.354 0.000 0.783 39 V N 1.415 121.276 119.914 -0.089 0.000 3.605 39 V HA 0.212 4.333 4.120 0.002 0.000 0.284 39 V C 0.604 176.628 176.094 -0.117 0.000 1.386 39 V CA 0.268 62.505 62.300 -0.106 0.000 1.053 39 V CB -0.750 30.931 31.823 -0.237 0.000 0.857 39 V HN 0.208 nan 8.190 nan 0.000 0.436 40 L N 1.216 122.383 121.223 -0.094 0.000 2.436 40 L HA 0.361 4.702 4.340 0.002 0.000 0.265 40 L C 0.640 177.471 176.870 -0.065 0.000 1.168 40 L CA -0.410 54.391 54.840 -0.064 0.000 0.815 40 L CB 0.980 43.024 42.059 -0.025 0.000 1.109 40 L HN 0.304 nan 8.230 nan 0.000 0.462 41 M N 2.607 122.178 119.600 -0.048 0.000 2.336 41 M HA 0.127 4.609 4.480 0.002 0.000 0.371 41 M C -0.131 176.127 176.300 -0.071 0.000 1.542 41 M CA 0.474 55.743 55.300 -0.052 0.000 0.959 41 M CB 0.185 32.772 32.600 -0.021 0.000 2.033 41 M HN 0.682 nan 8.290 nan 0.000 0.472 42 A N 3.939 126.710 122.820 -0.081 0.000 2.344 42 A HA 0.760 5.081 4.320 0.002 0.000 0.307 42 A C -0.266 177.266 177.584 -0.086 0.000 1.151 42 A CA -0.369 51.618 52.037 -0.084 0.000 0.842 42 A CB 0.868 19.807 19.000 -0.103 0.000 1.350 42 A HN 0.911 nan 8.150 nan 0.000 0.459 43 S N 0.690 116.338 115.700 -0.087 0.000 2.549 43 S HA 0.355 4.826 4.470 0.002 0.000 0.286 43 S C -2.591 171.946 174.600 -0.106 0.000 1.314 43 S CA -0.717 57.426 58.200 -0.094 0.000 1.062 43 S CB -0.244 62.898 63.200 -0.097 0.000 0.865 43 S HN 0.407 nan 8.310 nan 0.000 0.498 44 P HA 0.199 nan 4.420 nan 0.000 0.261 44 P C 1.098 178.337 177.300 -0.101 0.000 1.173 44 P CA 1.483 64.526 63.100 -0.095 0.000 0.760 44 P CB -0.022 31.627 31.700 -0.085 0.000 0.783 45 G N 1.736 110.477 108.800 -0.100 0.000 2.157 45 G HA2 -0.261 3.700 3.960 0.002 0.000 0.248 45 G HA3 -0.261 3.700 3.960 0.002 0.000 0.248 45 G C 0.513 175.340 174.900 -0.122 0.000 0.979 45 G CA 0.129 45.172 45.100 -0.096 0.000 0.650 45 G HN 0.741 nan 8.290 nan 0.000 0.529 46 S N -0.275 115.328 115.700 -0.162 0.000 2.549 46 S HA 0.323 4.794 4.470 0.002 0.000 0.283 46 S C 1.369 175.820 174.600 -0.249 0.000 1.320 46 S CA 0.435 58.477 58.200 -0.263 0.000 1.058 46 S CB 0.450 63.470 63.200 -0.299 0.000 0.882 46 S HN 0.392 nan 8.310 nan 0.000 0.498 47 N N 1.285 119.802 118.700 -0.304 0.000 2.254 47 N HA 0.027 4.768 4.740 0.002 0.000 0.190 47 N C 0.399 175.868 175.510 -0.068 0.000 1.107 47 N CA 0.365 53.337 53.050 -0.130 0.000 0.869 47 N CB 0.214 38.694 38.487 -0.013 0.000 0.983 47 N HN 0.870 nan 8.380 nan 0.000 0.487 48 H N -3.474 115.612 119.070 0.027 0.000 3.457 48 H HA 0.363 4.920 4.556 0.002 0.000 0.255 48 H C 1.189 176.415 175.328 -0.170 0.000 1.082 48 H CA 0.640 56.705 56.048 0.028 0.000 1.189 48 H CB -0.036 29.869 29.762 0.238 0.000 1.511 48 H HN -0.029 nan 8.280 nan 0.000 0.527 49 G N 0.514 109.217 108.800 -0.162 0.000 2.168 49 G HA2 -0.417 3.544 3.960 0.002 0.000 0.263 49 G HA3 -0.417 3.544 3.960 0.002 0.000 0.263 49 G C 0.478 175.308 174.900 -0.116 0.000 0.977 49 G CA 0.823 45.822 45.100 -0.168 0.000 0.659 49 G HN 0.563 nan 8.290 nan 0.000 0.533 50 Y N 1.230 121.750 120.300 0.367 0.000 2.544 50 Y HA 0.167 4.718 4.550 0.002 0.000 0.286 50 Y C 1.335 177.321 175.900 0.144 0.000 1.141 50 Y CA 0.624 58.832 58.100 0.181 0.000 1.299 50 Y CB 0.428 38.914 38.460 0.044 0.000 1.030 50 Y HN 0.416 nan 8.280 nan 0.000 0.543 51 D N 0.165 120.725 120.400 0.266 0.000 2.639 51 D HA 0.139 4.780 4.640 0.002 0.000 0.233 51 D C -0.267 176.060 176.300 0.046 0.000 1.161 51 D CA -0.107 53.986 54.000 0.155 0.000 1.003 51 D CB -0.135 40.748 40.800 0.139 0.000 1.034 51 D HN -0.128 nan 8.370 nan 0.000 0.514 52 V N 2.011 121.943 119.914 0.030 0.000 2.585 52 V HA 0.026 4.147 4.120 0.002 0.000 0.296 52 V C 1.749 177.777 176.094 -0.109 0.000 1.035 52 V CA -0.148 62.119 62.300 -0.055 0.000 1.084 52 V CB 0.586 32.366 31.823 -0.070 0.000 0.953 52 V HN 0.546 nan 8.190 nan 0.000 0.483 53 I N -0.802 119.686 120.570 -0.136 0.000 4.288 53 I HA 0.536 4.707 4.170 0.002 0.000 0.331 53 I C 0.142 176.118 176.117 -0.234 0.000 1.322 53 I CA 0.292 61.498 61.300 -0.157 0.000 1.149 53 I CB 0.933 38.878 38.000 -0.091 0.000 1.112 53 I HN 0.546 nan 8.210 nan 0.000 0.403 54 D N 0.314 120.578 120.400 -0.227 0.000 2.738 54 D HA 0.199 4.840 4.640 0.002 0.000 0.218 54 D C 0.321 176.540 176.300 -0.134 0.000 1.345 54 D CA -0.335 53.548 54.000 -0.195 0.000 0.943 54 D CB 1.039 41.880 40.800 0.068 0.000 1.514 54 D HN 0.035 nan 8.370 nan 0.000 0.585 55 H N 1.327 120.364 119.070 -0.054 0.000 2.529 55 H HA 0.084 4.641 4.556 0.002 0.000 0.277 55 H C 1.103 176.430 175.328 -0.001 0.000 0.999 55 H CA 0.617 56.638 56.048 -0.045 0.000 1.256 55 H CB 0.453 30.189 29.762 -0.044 0.000 1.402 55 H HN 0.184 nan 8.280 nan 0.000 0.566 56 S N 0.068 115.872 115.700 0.174 0.000 2.575 56 S HA 0.148 4.619 4.470 0.002 0.000 0.215 56 S C 0.833 175.498 174.600 0.108 0.000 0.966 56 S CA -0.026 58.268 58.200 0.156 0.000 0.911 56 S CB 0.741 64.076 63.200 0.225 0.000 0.780 56 S HN 0.239 nan 8.310 nan 0.000 0.514 57 R N 0.940 121.491 120.500 0.085 0.000 2.621 57 R HA 0.435 4.776 4.340 0.002 0.000 0.292 57 R C -1.029 175.281 176.300 0.016 0.000 0.969 57 R CA -0.673 55.459 56.100 0.053 0.000 0.887 57 R CB 1.152 31.488 30.300 0.059 0.000 1.180 57 R HN 0.121 nan 8.270 nan 0.000 0.450 58 I N 2.466 123.040 120.570 0.006 0.000 2.575 58 I HA -0.002 4.169 4.170 0.002 0.000 0.285 58 I C 0.671 176.788 176.117 0.001 0.000 1.085 58 I CA -0.351 60.933 61.300 -0.026 0.000 1.403 58 I CB 0.489 38.471 38.000 -0.028 0.000 1.409 58 I HN 0.525 nan 8.210 nan 0.000 0.557 59 N N 5.309 123.995 118.700 -0.023 0.000 2.411 59 N HA -0.087 4.655 4.740 0.002 0.000 0.265 59 N C 0.669 176.154 175.510 -0.042 0.000 1.266 59 N CA 0.376 53.396 53.050 -0.050 0.000 0.889 59 N CB 0.624 39.049 38.487 -0.103 0.000 1.069 59 N HN 0.396 nan 8.380 nan 0.000 0.476 60 D N 2.905 123.280 120.400 -0.041 0.000 2.234 60 D HA -0.094 4.548 4.640 0.002 0.000 0.205 60 D C 0.813 177.066 176.300 -0.079 0.000 0.962 60 D CA 0.872 54.852 54.000 -0.035 0.000 0.855 60 D CB 0.373 41.159 40.800 -0.023 0.000 0.951 60 D HN 0.698 nan 8.370 nan 0.000 0.500 61 E N 0.384 120.519 120.200 -0.109 0.000 2.268 61 E HA -0.071 4.280 4.350 0.002 0.000 0.195 61 E C 1.972 178.448 176.600 -0.206 0.000 0.995 61 E CA 0.387 56.709 56.400 -0.131 0.000 0.836 61 E CB 0.121 29.747 29.700 -0.123 0.000 0.763 61 E HN 0.338 nan 8.360 nan 0.000 0.491 62 L N -1.118 119.915 121.223 -0.317 0.000 2.509 62 L HA 0.171 4.512 4.340 0.002 0.000 0.222 62 L C 1.581 178.048 176.870 -0.671 0.000 1.123 62 L CA 0.584 55.042 54.840 -0.637 0.000 0.856 62 L CB 0.318 41.760 42.059 -1.029 0.000 0.985 62 L HN 0.273 nan 8.230 nan 0.000 0.456 63 G N -1.002 107.653 108.800 -0.242 0.000 2.318 63 G HA2 0.051 4.012 3.960 0.002 0.000 0.172 63 G HA3 0.051 4.012 3.960 0.002 0.000 0.172 63 G C 0.593 175.605 174.900 0.186 0.000 1.002 63 G CA -0.280 44.835 45.100 0.025 0.000 0.697 63 G HN 0.673 nan 8.290 nan 0.000 0.483 64 G N -0.144 108.779 108.800 0.205 0.000 2.829 64 G HA2 0.018 3.979 3.960 0.002 0.000 0.628 64 G HA3 0.018 3.979 3.960 0.002 0.000 0.628 64 G C 0.414 175.463 174.900 0.248 0.000 1.412 64 G CA 0.724 45.937 45.100 0.187 0.000 0.864 64 G HN 1.050 nan 8.290 nan 0.000 0.544 65 E N 0.073 120.355 120.200 0.138 0.000 2.118 65 E HA -0.170 4.181 4.350 0.002 0.000 0.195 65 E C 2.381 179.035 176.600 0.089 0.000 0.992 65 E CA 1.764 58.232 56.400 0.114 0.000 0.804 65 E CB -0.137 29.609 29.700 0.078 0.000 0.741 65 E HN 0.555 nan 8.360 nan 0.000 0.458 66 K N 0.498 120.941 120.400 0.071 0.000 2.009 66 K HA -0.158 4.163 4.320 0.002 0.000 0.210 66 K C 2.162 178.776 176.600 0.023 0.000 1.049 66 K CA 1.607 57.916 56.287 0.037 0.000 0.929 66 K CB -0.040 32.481 32.500 0.036 0.000 0.714 66 K HN 0.059 nan 8.250 nan 0.000 0.440 67 E N -0.202 120.046 120.200 0.080 0.000 2.204 67 E HA -0.162 4.189 4.350 0.002 0.000 0.194 67 E C 1.894 178.440 176.600 -0.090 0.000 0.989 67 E CA 0.861 57.311 56.400 0.083 0.000 0.824 67 E CB -0.176 29.676 29.700 0.254 0.000 0.756 67 E HN 0.355 nan 8.360 nan 0.000 0.477 68 Y N 1.868 121.914 120.300 -0.423 0.000 2.200 68 Y HA -0.110 4.441 4.550 0.002 0.000 0.290 68 Y C 2.206 177.834 175.900 -0.452 0.000 1.137 68 Y CA 1.528 59.107 58.100 -0.868 0.000 1.163 68 Y CB -0.024 37.942 38.460 -0.823 0.000 0.988 68 Y HN -0.116 nan 8.280 nan 0.000 0.518 69 R N -0.338 119.996 120.500 -0.276 0.000 2.115 69 R HA -0.141 4.200 4.340 0.002 0.000 0.230 69 R C 2.437 178.578 176.300 -0.265 0.000 1.111 69 R CA 1.400 57.333 56.100 -0.278 0.000 0.976 69 R CB -0.286 29.941 30.300 -0.122 0.000 0.870 69 R HN 0.289 nan 8.270 nan 0.000 0.445 70 R N 0.988 121.366 120.500 -0.204 0.000 2.092 70 R HA -0.044 4.297 4.340 0.002 0.000 0.231 70 R C 2.219 178.389 176.300 -0.216 0.000 1.119 70 R CA 0.888 56.891 56.100 -0.162 0.000 0.970 70 R CB -0.170 30.074 30.300 -0.094 0.000 0.864 70 R HN 0.217 nan 8.270 nan 0.000 0.440 71 L N 0.671 121.723 121.223 -0.286 0.000 2.017 71 L HA -0.182 4.159 4.340 0.002 0.000 0.208 71 L C 2.194 178.825 176.870 -0.397 0.000 1.073 71 L CA 1.516 56.172 54.840 -0.306 0.000 0.745 71 L CB -0.215 41.632 42.059 -0.354 0.000 0.894 71 L HN 0.313 nan 8.230 nan 0.000 0.432 72 I N -0.356 119.889 120.570 -0.541 0.000 2.179 72 I HA -0.287 3.884 4.170 0.002 0.000 0.242 72 I C 2.553 178.306 176.117 -0.607 0.000 1.088 72 I CA 1.114 62.024 61.300 -0.649 0.000 1.357 72 I CB -0.350 37.258 38.000 -0.653 0.000 1.051 72 I HN 0.299 nan 8.210 nan 0.000 0.409 73 E N 0.420 120.404 120.200 -0.361 0.000 2.072 73 E HA -0.153 4.198 4.350 0.002 0.000 0.191 73 E C 2.252 178.751 176.600 -0.168 0.000 0.985 73 E CA 1.646 57.924 56.400 -0.204 0.000 0.801 73 E CB -0.573 29.050 29.700 -0.129 0.000 0.750 73 E HN 0.459 nan 8.360 nan 0.000 0.452 74 T N 1.400 115.839 114.554 -0.192 0.000 2.777 74 T HA -0.076 4.275 4.350 0.002 0.000 0.266 74 T C 1.981 176.559 174.700 -0.204 0.000 1.040 74 T CA 1.434 63.435 62.100 -0.166 0.000 1.141 74 T CB -0.216 68.561 68.868 -0.151 0.000 0.868 74 T HN 0.269 nan 8.240 nan 0.000 0.444 75 A N 1.276 123.944 122.820 -0.254 0.000 1.877 75 A HA -0.182 4.139 4.320 0.002 0.000 0.216 75 A C 1.951 179.444 177.584 -0.152 0.000 1.186 75 A CA 1.717 53.606 52.037 -0.246 0.000 0.620 75 A CB -1.020 17.807 19.000 -0.289 0.000 0.822 75 A HN 0.698 nan 8.150 nan 0.000 0.443 76 H N -1.349 117.607 119.070 -0.190 0.000 2.387 76 H HA -0.087 4.471 4.556 0.002 0.000 0.299 76 H C 2.267 177.505 175.328 -0.149 0.000 1.090 76 H CA 1.227 57.176 56.048 -0.165 0.000 1.332 76 H CB 0.022 29.699 29.762 -0.142 0.000 1.386 76 H HN 0.461 nan 8.280 nan 0.000 0.516 77 T N 1.330 115.870 114.554 -0.022 0.000 2.746 77 T HA -0.110 4.241 4.350 0.002 0.000 0.267 77 T C 1.932 176.573 174.700 -0.099 0.000 1.039 77 T CA 1.418 63.485 62.100 -0.054 0.000 1.142 77 T CB -0.163 68.671 68.868 -0.057 0.000 0.866 77 T HN 0.483 nan 8.240 nan 0.000 0.444 78 I N -1.392 119.059 120.570 -0.199 0.000 3.735 78 I HA 0.459 4.630 4.170 0.002 0.000 0.310 78 I C 1.307 177.281 176.117 -0.237 0.000 1.270 78 I CA 0.228 61.336 61.300 -0.320 0.000 1.207 78 I CB -0.437 37.107 38.000 -0.761 0.000 1.013 78 I HN 0.291 nan 8.210 nan 0.000 0.452 79 G N 1.770 110.480 108.800 -0.151 0.000 2.132 79 G HA2 -0.199 3.762 3.960 0.002 0.000 0.234 79 G HA3 -0.199 3.762 3.960 0.002 0.000 0.234 79 G C -0.124 174.688 174.900 -0.147 0.000 0.989 79 G CA 0.049 45.075 45.100 -0.124 0.000 0.676 79 G HN 0.398 nan 8.290 nan 0.000 0.522 80 L N 0.539 121.670 121.223 -0.154 0.000 2.322 80 L HA 0.718 5.059 4.340 0.002 0.000 0.279 80 L C 1.188 177.963 176.870 -0.158 0.000 1.036 80 L CA -0.454 54.273 54.840 -0.188 0.000 0.807 80 L CB 1.610 43.560 42.059 -0.182 0.000 1.226 80 L HN 0.193 nan 8.230 nan 0.000 0.433 81 G N 2.845 111.416 108.800 -0.383 0.000 2.502 81 G HA2 0.640 4.601 3.960 0.002 0.000 0.305 81 G HA3 0.640 4.601 3.960 0.002 0.000 0.305 81 G C -0.659 174.166 174.900 -0.125 0.000 1.190 81 G CA -0.465 44.438 45.100 -0.329 0.000 0.933 81 G HN 0.318 nan 8.290 nan 0.000 0.503 82 I N 0.634 121.225 120.570 0.035 0.000 2.499 82 I HA 0.356 4.527 4.170 0.002 0.000 0.288 82 I C -0.613 175.532 176.117 0.048 0.000 1.048 82 I CA -0.474 60.835 61.300 0.014 0.000 1.062 82 I CB 1.720 39.652 38.000 -0.113 0.000 1.238 82 I HN 0.278 nan 8.210 nan 0.000 0.426 83 I N 5.185 125.804 120.570 0.083 0.000 2.355 83 I HA 0.261 4.432 4.170 0.002 0.000 0.288 83 I C -0.206 175.978 176.117 0.111 0.000 0.999 83 I CA -0.738 60.576 61.300 0.024 0.000 1.163 83 I CB 1.829 39.819 38.000 -0.017 0.000 1.316 83 I HN 0.477 nan 8.210 nan 0.000 0.454 84 Q N 5.394 125.221 119.800 0.045 0.000 2.290 84 Q HA 0.210 4.551 4.340 0.002 0.000 0.259 84 Q C -0.719 175.442 176.000 0.267 0.000 0.941 84 Q CA -0.408 55.500 55.803 0.174 0.000 0.912 84 Q CB 1.236 30.076 28.738 0.170 0.000 1.244 84 Q HN 0.430 nan 8.270 nan 0.000 0.441 85 D N 3.926 124.494 120.400 0.280 0.000 2.383 85 D HA 0.216 4.857 4.640 0.002 0.000 0.252 85 D C -0.588 175.835 176.300 0.204 0.000 1.166 85 D CA -0.054 54.116 54.000 0.284 0.000 0.879 85 D CB 0.219 41.162 40.800 0.238 0.000 1.164 85 D HN 0.630 nan 8.370 nan 0.000 0.462 86 I N 0.154 120.860 120.570 0.227 0.000 2.689 86 I HA 0.513 4.684 4.170 0.002 0.000 0.299 86 I C -0.927 175.263 176.117 0.122 0.000 1.059 86 I CA -1.115 60.275 61.300 0.149 0.000 1.055 86 I CB 2.285 40.385 38.000 0.167 0.000 1.243 86 I HN -0.048 nan 8.210 nan 0.000 0.425 87 V N 5.554 125.490 119.914 0.037 0.000 2.250 87 V HA 0.321 4.442 4.120 0.002 0.000 0.268 87 V C -1.419 174.613 176.094 -0.103 0.000 1.043 87 V CA -0.697 61.591 62.300 -0.020 0.000 0.814 87 V CB 0.481 32.289 31.823 -0.024 0.000 1.072 87 V HN 0.771 nan 8.190 nan 0.000 0.451 88 P HA 0.003 nan 4.420 nan 0.000 0.230 88 P C 1.118 178.321 177.300 -0.161 0.000 1.168 88 P CA 0.628 63.661 63.100 -0.111 0.000 0.793 88 P CB 0.682 32.316 31.700 -0.110 0.000 0.851 89 N N 0.471 119.043 118.700 -0.213 0.000 2.142 89 N HA -0.103 4.638 4.740 0.002 0.000 0.186 89 N C 0.855 176.341 175.510 -0.041 0.000 1.023 89 N CA 0.859 53.839 53.050 -0.116 0.000 0.852 89 N CB -0.062 38.463 38.487 0.063 0.000 0.998 89 N HN 0.312 nan 8.380 nan 0.000 0.424 90 H N -2.735 116.366 119.070 0.051 0.000 2.977 90 H HA 0.464 5.021 4.556 0.002 0.000 0.350 90 H C -1.041 174.330 175.328 0.072 0.000 1.238 90 H CA -0.970 55.120 56.048 0.071 0.000 1.124 90 H CB 0.944 30.744 29.762 0.063 0.000 1.866 90 H HN -0.077 nan 8.280 nan 0.000 0.550 91 M N 0.630 120.381 119.600 0.252 0.000 2.690 91 M HA 0.577 5.058 4.480 0.002 0.000 0.302 91 M C -0.456 175.912 176.300 0.113 0.000 1.234 91 M CA -1.007 54.380 55.300 0.145 0.000 0.853 91 M CB 2.839 35.526 32.600 0.145 0.000 1.748 91 M HN 0.797 nan 8.290 nan 0.000 0.469 92 A N 1.312 124.160 122.820 0.047 0.000 2.363 92 A HA 0.531 4.853 4.320 0.002 0.000 0.270 92 A C -0.443 177.133 177.584 -0.013 0.000 1.121 92 A CA -0.539 51.516 52.037 0.031 0.000 0.800 92 A CB 0.213 19.223 19.000 0.016 0.000 1.052 92 A HN 0.589 nan 8.150 nan 0.000 0.493 93 V N 3.857 123.784 119.914 0.023 0.000 2.370 93 V HA 0.216 4.337 4.120 0.002 0.000 0.257 93 V C 0.277 176.468 176.094 0.161 0.000 1.064 93 V CA 0.261 62.589 62.300 0.045 0.000 0.975 93 V CB -0.678 31.207 31.823 0.104 0.000 1.067 93 V HN 0.956 nan 8.190 nan 0.000 0.485 94 N N 2.254 120.996 118.700 0.069 0.000 2.396 94 N HA 0.261 5.002 4.740 0.002 0.000 0.275 94 N C 0.826 176.340 175.510 0.006 0.000 1.218 94 N CA -0.444 52.582 53.050 -0.040 0.000 0.812 94 N CB 2.161 40.588 38.487 -0.101 0.000 1.592 94 N HN 0.182 nan 8.380 nan 0.000 0.480 95 S N 0.921 116.594 115.700 -0.044 0.000 2.442 95 S HA -0.024 4.447 4.470 0.002 0.000 0.236 95 S C 1.359 175.963 174.600 0.007 0.000 1.007 95 S CA 0.801 59.018 58.200 0.027 0.000 0.965 95 S CB -0.294 62.904 63.200 -0.004 0.000 0.773 95 S HN 0.514 nan 8.310 nan 0.000 0.504 96 L N 0.942 122.150 121.223 -0.026 0.000 2.558 96 L HA 0.149 4.490 4.340 0.002 0.000 0.225 96 L C 0.912 177.807 176.870 0.042 0.000 1.128 96 L CA 0.074 54.921 54.840 0.011 0.000 0.868 96 L CB -0.414 41.632 42.059 -0.021 0.000 1.006 96 L HN 0.219 nan 8.230 nan 0.000 0.454 97 N N 1.174 119.859 118.700 -0.024 0.000 2.466 97 N HA -0.069 4.673 4.740 0.002 0.000 0.263 97 N C 1.305 176.757 175.510 -0.098 0.000 1.178 97 N CA -0.350 52.625 53.050 -0.126 0.000 0.983 97 N CB 0.345 38.744 38.487 -0.147 0.000 1.331 97 N HN 0.309 nan 8.380 nan 0.000 0.500 98 W N 3.714 124.969 121.300 -0.075 0.000 2.374 98 W HA -0.153 4.508 4.660 0.002 0.000 0.288 98 W C 0.878 177.345 176.519 -0.087 0.000 1.218 98 W CA 0.298 57.609 57.345 -0.057 0.000 1.245 98 W CB -0.510 28.923 29.460 -0.045 0.000 1.126 98 W HN 0.471 nan 8.180 nan 0.000 0.545 99 R N 0.646 120.680 120.500 -0.776 0.000 2.081 99 R HA -0.146 4.196 4.340 0.002 0.000 0.235 99 R C 2.464 178.656 176.300 -0.180 0.000 1.131 99 R CA 1.796 57.372 56.100 -0.873 0.000 0.960 99 R CB -0.768 28.621 30.300 -1.519 0.000 0.856 99 R HN 0.143 nan 8.270 nan 0.000 0.436 100 L N 0.430 121.560 121.223 -0.155 0.000 2.093 100 L HA -0.083 4.258 4.340 0.002 0.000 0.208 100 L C 2.033 178.883 176.870 -0.032 0.000 1.085 100 L CA 1.640 56.366 54.840 -0.191 0.000 0.755 100 L CB -0.198 41.614 42.059 -0.412 0.000 0.904 100 L HN 0.117 nan 8.230 nan 0.000 0.435 101 M N -1.002 118.611 119.600 0.021 0.000 2.279 101 M HA -0.196 4.285 4.480 0.002 0.000 0.264 101 M C 1.883 178.277 176.300 0.156 0.000 1.062 101 M CA 1.448 56.803 55.300 0.091 0.000 1.099 101 M CB -1.331 31.353 32.600 0.140 0.000 1.394 101 M HN 0.356 nan 8.290 nan 0.000 0.426 102 D N 0.103 120.626 120.400 0.206 0.000 2.144 102 D HA -0.098 4.543 4.640 0.002 0.000 0.200 102 D C 1.893 178.343 176.300 0.250 0.000 0.978 102 D CA 0.868 55.029 54.000 0.269 0.000 0.833 102 D CB 0.397 41.436 40.800 0.399 0.000 0.961 102 D HN 0.117 nan 8.370 nan 0.000 0.470 103 V N 0.309 120.376 119.914 0.255 0.000 2.453 103 V HA -0.070 4.051 4.120 0.002 0.000 0.247 103 V C 1.333 177.518 176.094 0.152 0.000 1.048 103 V CA 0.483 62.928 62.300 0.241 0.000 1.049 103 V CB -0.388 31.618 31.823 0.305 0.000 0.672 103 V HN 0.173 nan 8.190 nan 0.000 0.457 113 Y N 1.982 122.536 120.300 0.423 0.000 2.165 113 Y HA -0.248 4.303 4.550 0.002 0.000 0.286 113 Y C 2.474 178.699 175.900 0.541 0.000 1.155 113 Y CA 2.480 60.860 58.100 0.466 0.000 1.164 113 Y CB -0.218 38.396 38.460 0.256 0.000 0.978 113 Y HN 0.187 nan 8.280 nan 0.000 0.513 114 T N -2.742 112.015 114.554 0.338 0.000 3.160 114 T HA -0.138 4.213 4.350 0.002 0.000 0.257 114 T C 1.535 176.328 174.700 0.156 0.000 1.147 114 T CA 0.680 62.911 62.100 0.218 0.000 1.064 114 T CB -0.865 68.189 68.868 0.310 0.000 0.949 114 T HN 0.498 nan 8.240 nan 0.000 0.526 115 Y N 0.981 121.294 120.300 0.021 0.000 2.337 115 Y HA 0.346 4.897 4.550 0.002 0.000 0.293 115 Y C 0.189 175.743 175.900 -0.578 0.000 1.123 115 Y CA -0.128 57.802 58.100 -0.283 0.000 1.201 115 Y CB 0.185 38.458 38.460 -0.312 0.000 1.011 115 Y HN 0.216 nan 8.280 nan 0.000 0.545 116 F N -0.310 119.655 119.950 0.025 0.000 2.470 116 F HA 0.230 4.758 4.527 0.002 0.000 0.329 116 F C 0.172 175.686 175.800 -0.476 0.000 1.072 116 F CA -1.312 56.485 58.000 -0.338 0.000 0.989 116 F CB 0.563 39.136 39.000 -0.710 0.000 1.193 116 F HN -0.318 nan 8.300 nan 0.000 0.481 117 D N 2.533 122.811 120.400 -0.203 0.000 2.551 117 D HA 0.150 4.791 4.640 0.002 0.000 0.223 117 D C -0.722 175.524 176.300 -0.090 0.000 1.144 117 D CA 0.161 54.114 54.000 -0.078 0.000 1.025 117 D CB -0.622 40.212 40.800 0.058 0.000 1.085 117 D HN 0.175 nan 8.370 nan 0.000 0.506 118 F N 1.420 121.425 119.950 0.092 0.000 2.371 118 F HA 0.313 4.841 4.527 0.002 0.000 0.329 118 F C 0.788 176.753 175.800 0.275 0.000 1.107 118 F CA -1.031 57.018 58.000 0.081 0.000 1.137 118 F CB 0.674 39.690 39.000 0.027 0.000 1.214 118 F HN 0.047 nan 8.300 nan 0.000 0.536 119 F N 2.821 123.041 119.950 0.449 0.000 2.466 119 F HA 0.247 4.775 4.527 0.002 0.000 0.363 119 F C -1.479 174.516 175.800 0.325 0.000 1.109 119 F CA -3.122 55.076 58.000 0.330 0.000 1.161 119 F CB -0.009 39.173 39.000 0.303 0.000 1.117 119 F HN 0.259 nan 8.300 nan 0.000 0.539 120 P HA -0.208 nan 4.420 nan 0.000 0.218 120 P C 1.426 178.898 177.300 0.287 0.000 1.146 120 P CA 1.386 64.710 63.100 0.374 0.000 0.813 120 P CB 0.127 32.002 31.700 0.291 0.000 0.778 121 E N -0.677 119.680 120.200 0.263 0.000 2.285 121 E HA -0.079 4.272 4.350 0.002 0.000 0.194 121 E C -0.180 176.536 176.600 0.193 0.000 0.997 121 E CA 0.772 57.287 56.400 0.191 0.000 0.845 121 E CB -0.716 29.075 29.700 0.152 0.000 0.782 121 E HN 0.215 nan 8.360 nan 0.000 0.491 122 D N 2.258 122.811 120.400 0.255 0.000 2.317 122 D HA 0.078 4.719 4.640 0.002 0.000 0.252 122 D C 0.277 176.666 176.300 0.149 0.000 1.174 122 D CA -0.188 53.938 54.000 0.210 0.000 0.866 122 D CB 1.367 42.322 40.800 0.259 0.000 1.127 122 D HN -0.031 nan 8.370 nan 0.000 0.467 123 D N 1.546 122.000 120.400 0.091 0.000 2.194 123 D HA -0.031 4.610 4.640 0.002 0.000 0.204 123 D C 0.160 176.473 176.300 0.022 0.000 0.964 123 D CA 0.961 54.985 54.000 0.040 0.000 0.846 123 D CB 0.603 41.416 40.800 0.022 0.000 0.962 123 D HN 0.291 nan 8.370 nan 0.000 0.490 124 K N 0.551 120.976 120.400 0.041 0.000 2.270 124 K HA 0.459 4.780 4.320 0.002 0.000 0.255 124 K C -0.378 176.264 176.600 0.070 0.000 0.936 124 K CA -0.620 55.687 56.287 0.033 0.000 0.809 124 K CB 2.711 35.218 32.500 0.012 0.000 1.131 124 K HN -0.161 nan 8.250 nan 0.000 0.427 125 I N 3.605 124.223 120.570 0.079 0.000 2.379 125 I HA 0.127 4.298 4.170 0.002 0.000 0.290 125 I C 0.404 176.608 176.117 0.144 0.000 1.063 125 I CA -0.205 61.164 61.300 0.115 0.000 1.351 125 I CB 0.357 38.401 38.000 0.074 0.000 1.410 125 I HN 0.303 nan 8.210 nan 0.000 0.505 126 R N 5.569 126.136 120.500 0.111 0.000 2.401 126 R HA 0.325 4.667 4.340 0.002 0.000 0.299 126 R C -0.838 175.517 176.300 0.092 0.000 1.064 126 R CA -0.586 55.549 56.100 0.059 0.000 1.000 126 R CB 0.661 30.947 30.300 -0.024 0.000 0.973 126 R HN 0.380 nan 8.270 nan 0.000 0.438 127 L N 6.587 127.852 121.223 0.071 0.000 2.384 127 L HA 0.303 4.644 4.340 0.002 0.000 0.261 127 L C -2.134 174.723 176.870 -0.022 0.000 1.024 127 L CA -2.086 52.787 54.840 0.055 0.000 0.899 127 L CB 1.713 43.757 42.059 -0.026 0.000 1.243 127 L HN 0.455 nan 8.230 nan 0.000 0.449 128 P HA 0.167 nan 4.420 nan 0.000 0.231 128 P C 0.514 177.851 177.300 0.060 0.000 1.811 128 P CA 0.117 63.217 63.100 0.000 0.000 1.051 128 P CB -0.276 31.411 31.700 -0.022 0.000 1.951 129 I N -1.866 118.690 120.570 -0.025 0.000 4.154 129 I HA 0.246 4.417 4.170 0.002 0.000 0.334 129 I C 0.186 176.356 176.117 0.088 0.000 1.371 129 I CA -0.397 60.894 61.300 -0.015 0.000 1.110 129 I CB 0.165 37.916 38.000 -0.414 0.000 1.085 129 I HN -0.126 nan 8.210 nan 0.000 0.398 130 L N 1.844 123.097 121.223 0.051 0.000 2.371 130 L HA 0.434 4.775 4.340 0.002 0.000 0.272 130 L C 1.619 178.699 176.870 0.351 0.000 1.124 130 L CA -0.101 54.794 54.840 0.090 0.000 0.816 130 L CB 1.243 43.233 42.059 -0.115 0.000 1.129 130 L HN 0.200 nan 8.230 nan 0.000 0.448 131 G N 1.923 110.982 108.800 0.432 0.000 2.484 131 G HA2 -0.008 3.953 3.960 0.002 0.000 0.218 131 G HA3 -0.008 3.953 3.960 0.002 0.000 0.218 131 G C 0.452 175.625 174.900 0.454 0.000 1.130 131 G CA 0.279 45.603 45.100 0.372 0.000 0.784 131 G HN 0.703 nan 8.290 nan 0.000 0.543 132 E N -0.868 119.539 120.200 0.346 0.000 2.445 132 E HA 0.280 4.631 4.350 0.002 0.000 0.273 132 E C -1.532 175.152 176.600 0.140 0.000 0.961 132 E CA -0.981 55.573 56.400 0.257 0.000 0.807 132 E CB 1.422 31.246 29.700 0.206 0.000 1.362 132 E HN -0.126 nan 8.360 nan 0.000 0.453 133 D N 0.777 121.225 120.400 0.079 0.000 2.339 133 D HA 0.035 4.677 4.640 0.002 0.000 0.245 133 D C 1.036 177.347 176.300 0.018 0.000 1.115 133 D CA -0.115 53.899 54.000 0.024 0.000 0.917 133 D CB 1.468 42.269 40.800 0.001 0.000 1.192 133 D HN 0.287 nan 8.370 nan 0.000 0.428 134 L N 3.174 124.392 121.223 -0.009 0.000 2.077 134 L HA -0.328 4.013 4.340 0.002 0.000 0.231 134 L C 1.611 178.491 176.870 0.018 0.000 1.100 134 L CA 2.085 56.916 54.840 -0.016 0.000 0.819 134 L CB -0.498 41.565 42.059 0.007 0.000 0.913 134 L HN 0.510 nan 8.230 nan 0.000 0.446 135 D N -1.542 118.899 120.400 0.069 0.000 2.106 135 D HA -0.196 4.445 4.640 0.002 0.000 0.191 135 D C 1.990 178.332 176.300 0.070 0.000 0.997 135 D CA 2.207 56.269 54.000 0.104 0.000 0.834 135 D CB -0.399 40.465 40.800 0.107 0.000 0.956 135 D HN 0.463 nan 8.370 nan 0.000 0.448 136 T N 0.905 115.497 114.554 0.063 0.000 2.746 136 T HA -0.079 4.272 4.350 0.002 0.000 0.267 136 T C 2.273 177.015 174.700 0.071 0.000 1.039 136 T CA 0.509 62.650 62.100 0.069 0.000 1.142 136 T CB -0.286 68.631 68.868 0.081 0.000 0.866 136 T HN -0.032 nan 8.240 nan 0.000 0.444 137 V N 1.219 121.172 119.914 0.065 0.000 2.407 137 V HA -0.101 4.021 4.120 0.002 0.000 0.248 137 V C 2.294 178.405 176.094 0.028 0.000 1.055 137 V CA 1.324 63.670 62.300 0.075 0.000 1.049 137 V CB -0.502 31.339 31.823 0.030 0.000 0.662 137 V HN 0.503 nan 8.190 nan 0.000 0.455 138 I N 0.584 121.145 120.570 -0.016 0.000 2.353 138 I HA -0.166 4.005 4.170 0.002 0.000 0.248 138 I C 2.612 178.716 176.117 -0.022 0.000 1.119 138 I CA 1.589 62.851 61.300 -0.062 0.000 1.417 138 I CB -0.385 37.513 38.000 -0.170 0.000 1.078 138 I HN 0.472 nan 8.210 nan 0.000 0.421 139 S N 0.686 116.396 115.700 0.016 0.000 2.423 139 S HA -0.130 4.341 4.470 0.002 0.000 0.231 139 S C 1.846 176.464 174.600 0.030 0.000 1.014 139 S CA 0.733 58.951 58.200 0.031 0.000 0.965 139 S CB -0.333 62.895 63.200 0.047 0.000 0.785 139 S HN 0.398 nan 8.310 nan 0.000 0.495 140 K N 0.859 121.282 120.400 0.038 0.000 2.418 140 K HA 0.198 4.520 4.320 0.002 0.000 0.195 140 K C 1.135 177.749 176.600 0.024 0.000 1.035 140 K CA 0.389 56.702 56.287 0.043 0.000 1.003 140 K CB -0.368 32.175 32.500 0.071 0.000 0.793 140 K HN 0.569 nan 8.250 nan 0.000 0.494 141 G N 1.788 110.594 108.800 0.010 0.000 2.225 141 G HA2 -0.247 3.715 3.960 0.002 0.000 0.264 141 G HA3 -0.247 3.715 3.960 0.002 0.000 0.264 141 G C 0.492 175.378 174.900 -0.024 0.000 1.060 141 G CA 0.045 45.141 45.100 -0.007 0.000 0.833 141 G HN 0.228 nan 8.290 nan 0.000 0.498 142 L N -1.183 120.032 121.223 -0.014 0.000 2.270 142 L HA 0.310 4.651 4.340 0.002 0.000 0.210 142 L C 1.761 178.632 176.870 0.002 0.000 1.104 142 L CA 0.327 55.123 54.840 -0.073 0.000 0.804 142 L CB -0.010 42.050 42.059 0.002 0.000 0.937 142 L HN 0.269 nan 8.230 nan 0.000 0.450 143 L N 1.531 122.780 121.223 0.043 0.000 2.281 143 L HA 0.222 4.563 4.340 0.002 0.000 0.285 143 L C -0.359 176.525 176.870 0.023 0.000 1.074 143 L CA 0.151 55.021 54.840 0.050 0.000 0.817 143 L CB 0.743 42.790 42.059 -0.020 0.000 1.168 143 L HN 0.095 nan 8.230 nan 0.000 0.434 144 K N 5.326 125.757 120.400 0.052 0.000 2.397 144 K HA 0.523 4.844 4.320 0.002 0.000 0.253 144 K C -0.968 175.687 176.600 0.092 0.000 0.932 144 K CA -0.571 55.746 56.287 0.051 0.000 0.795 144 K CB 2.623 35.145 32.500 0.037 0.000 1.159 144 K HN 0.444 nan 8.250 nan 0.000 0.424 145 I N 3.476 124.100 120.570 0.090 0.000 2.301 145 I HA 0.123 4.294 4.170 0.002 0.000 0.292 145 I C -0.397 175.820 176.117 0.166 0.000 1.046 145 I CA -0.840 60.543 61.300 0.139 0.000 1.282 145 I CB 0.990 39.059 38.000 0.115 0.000 1.409 145 I HN 0.195 nan 8.210 nan 0.000 0.484 146 V N 7.246 127.285 119.914 0.207 0.000 2.370 146 V HA 0.239 4.360 4.120 0.002 0.000 0.279 146 V C 0.245 176.424 176.094 0.143 0.000 1.029 146 V CA -0.780 61.629 62.300 0.182 0.000 0.870 146 V CB 1.468 33.412 31.823 0.202 0.000 0.984 146 V HN 0.620 nan 8.190 nan 0.000 0.451 147 K N 4.549 124.954 120.400 0.008 0.000 2.234 147 K HA 0.364 4.685 4.320 0.002 0.000 0.277 147 K C -0.643 175.862 176.600 -0.159 0.000 1.038 147 K CA -0.350 55.766 56.287 -0.286 0.000 0.888 147 K CB 0.929 33.249 32.500 -0.300 0.000 1.091 147 K HN 0.888 nan 8.250 nan 0.000 0.467 148 D N 1.745 122.040 120.400 -0.174 0.000 2.808 148 D HA 0.321 4.962 4.640 0.002 0.000 0.249 148 D C 0.487 176.727 176.300 -0.100 0.000 1.151 148 D CA -0.489 53.499 54.000 -0.020 0.000 1.089 148 D CB 1.666 42.600 40.800 0.223 0.000 1.295 148 D HN 0.630 nan 8.370 nan 0.000 0.631 149 G N -0.578 108.217 108.800 -0.010 0.000 2.784 149 G HA2 -0.001 3.960 3.960 0.002 0.000 0.208 149 G HA3 -0.001 3.960 3.960 0.002 0.000 0.208 149 G C 0.528 175.426 174.900 -0.004 0.000 1.120 149 G CA 0.114 45.196 45.100 -0.031 0.000 0.774 149 G HN 0.331 nan 8.290 nan 0.000 0.528 150 D N 0.362 120.814 120.400 0.087 0.000 2.378 150 D HA 0.342 4.983 4.640 0.002 0.000 0.227 150 D C 0.828 177.099 176.300 -0.048 0.000 1.012 150 D CA 0.495 54.578 54.000 0.140 0.000 0.905 150 D CB 0.328 41.375 40.800 0.411 0.000 0.895 150 D HN 0.369 nan 8.370 nan 0.000 0.532 151 E N -2.562 117.513 120.200 -0.209 0.000 5.806 151 E HA -0.100 4.252 4.350 0.002 0.000 0.529 151 E C -1.179 175.055 176.600 -0.611 0.000 1.218 151 E CA -0.347 55.859 56.400 -0.324 0.000 2.943 151 E CB -0.544 29.024 29.700 -0.220 0.000 0.989 151 E HN 0.106 nan 8.360 nan 0.000 0.313 152 Y N -0.307 119.662 120.300 -0.552 0.000 2.419 152 Y HA 0.742 5.293 4.550 0.002 0.000 0.328 152 Y C -0.096 175.368 175.900 -0.725 0.000 1.162 152 Y CA -0.216 57.615 58.100 -0.447 0.000 1.174 152 Y CB 1.048 39.395 38.460 -0.189 0.000 1.228 152 Y HN 0.253 nan 8.280 nan 0.000 0.473 153 F N 1.518 121.597 119.950 0.215 0.000 2.601 153 F HA 0.475 5.003 4.527 0.002 0.000 0.309 153 F C -0.983 174.914 175.800 0.161 0.000 1.089 153 F CA -0.899 57.200 58.000 0.165 0.000 0.940 153 F CB 1.517 40.585 39.000 0.114 0.000 1.273 153 F HN 0.101 nan 8.300 nan 0.000 0.450 154 L N 2.462 123.907 121.223 0.371 0.000 2.295 154 L HA 0.453 4.795 4.340 0.002 0.000 0.285 154 L C -0.683 176.343 176.870 0.260 0.000 1.035 154 L CA -0.362 54.636 54.840 0.262 0.000 0.806 154 L CB 1.530 43.733 42.059 0.241 0.000 1.214 154 L HN 0.656 nan 8.230 nan 0.000 0.426 155 E N 3.350 123.677 120.200 0.211 0.000 2.176 155 E HA 0.243 4.594 4.350 0.002 0.000 0.267 155 E C -1.754 174.985 176.600 0.231 0.000 0.893 155 E CA -0.608 55.915 56.400 0.205 0.000 0.761 155 E CB 2.456 32.233 29.700 0.128 0.000 1.133 155 E HN 0.305 nan 8.360 nan 0.000 0.409 156 Y N 5.179 125.572 120.300 0.155 0.000 2.488 156 Y HA 0.212 4.763 4.550 0.002 0.000 0.330 156 Y C -0.175 175.907 175.900 0.302 0.000 1.013 156 Y CA -1.006 57.164 58.100 0.117 0.000 1.304 156 Y CB -0.312 38.250 38.460 0.169 0.000 1.098 156 Y HN 0.790 nan 8.280 nan 0.000 0.498 157 F N 1.700 121.562 119.950 -0.148 0.000 2.318 157 F HA -0.499 4.029 4.527 0.002 0.000 0.488 157 F C 1.349 177.114 175.800 -0.057 0.000 1.250 157 F CA 1.872 59.773 58.000 -0.165 0.000 1.705 157 F CB -0.555 38.261 39.000 -0.306 0.000 1.037 157 F HN 0.383 nan 8.300 nan 0.000 0.224 158 K N -0.563 119.921 120.400 0.140 0.000 2.387 158 K HA 0.097 4.419 4.320 0.002 0.000 0.198 158 K C -0.823 175.726 176.600 -0.085 0.000 1.022 158 K CA -0.071 56.195 56.287 -0.035 0.000 1.128 158 K CB 0.067 32.476 32.500 -0.152 0.000 0.853 158 K HN 0.216 nan 8.250 nan 0.000 0.523 159 W N 1.797 123.155 121.300 0.095 0.000 2.316 159 W HA 0.228 4.889 4.660 0.002 0.000 0.321 159 W C 0.283 176.848 176.519 0.076 0.000 1.203 159 W CA -0.424 56.984 57.345 0.104 0.000 1.214 159 W CB 0.779 30.360 29.460 0.200 0.000 1.169 159 W HN -0.239 nan 8.180 nan 0.000 0.561 160 K N 4.477 125.054 120.400 0.295 0.000 2.723 160 K HA 0.368 4.689 4.320 0.002 0.000 0.229 160 K C -1.456 175.274 176.600 0.216 0.000 1.022 160 K CA -0.352 56.036 56.287 0.168 0.000 1.045 160 K CB 0.246 32.720 32.500 -0.043 0.000 1.227 160 K HN 0.486 nan 8.250 nan 0.000 0.516 161 L N 4.941 126.330 121.223 0.277 0.000 2.322 161 L HA 0.579 4.920 4.340 0.002 0.000 0.279 161 L C -1.993 175.099 176.870 0.370 0.000 1.036 161 L CA -2.273 52.699 54.840 0.220 0.000 0.807 161 L CB 1.347 43.431 42.059 0.042 0.000 1.226 161 L HN 0.466 nan 8.230 nan 0.000 0.433 162 P HA 0.229 nan 4.420 nan 0.000 0.278 162 P C -1.165 176.318 177.300 0.305 0.000 1.238 162 P CA -0.244 63.072 63.100 0.360 0.000 0.794 162 P CB 1.263 33.140 31.700 0.295 0.000 0.955 163 L N 1.866 123.182 121.223 0.155 0.000 2.329 163 L HA 0.273 4.614 4.340 0.002 0.000 0.279 163 L C 1.953 178.849 176.870 0.043 0.000 1.014 163 L CA -0.407 54.495 54.840 0.103 0.000 0.814 163 L CB 1.688 43.779 42.059 0.053 0.000 1.257 163 L HN 0.361 nan 8.230 nan 0.000 0.424 164 T N 1.306 115.874 114.554 0.022 0.000 2.942 164 T HA -0.002 4.349 4.350 0.002 0.000 0.265 164 T C 0.311 174.992 174.700 -0.031 0.000 1.062 164 T CA 1.079 63.183 62.100 0.006 0.000 1.139 164 T CB 0.151 69.018 68.868 -0.001 0.000 0.883 164 T HN 0.791 nan 8.240 nan 0.000 0.468 165 E N -1.406 118.745 120.200 -0.082 0.000 2.422 165 E HA 0.557 4.908 4.350 0.002 0.000 0.280 165 E C -1.945 174.511 176.600 -0.240 0.000 1.091 165 E CA -1.053 55.262 56.400 -0.142 0.000 0.849 165 E CB 1.326 30.964 29.700 -0.102 0.000 1.353 165 E HN -0.043 nan 8.360 nan 0.000 0.449 166 V N 0.392 120.092 119.914 -0.357 0.000 2.789 166 V HA 0.813 4.935 4.120 0.002 0.000 0.311 166 V C -0.172 175.769 176.094 -0.256 0.000 1.073 166 V CA 0.288 62.347 62.300 -0.401 0.000 0.921 166 V CB 1.740 33.067 31.823 -0.827 0.000 1.009 166 V HN 0.873 nan 8.190 nan 0.000 0.426 167 G N 2.974 111.669 108.800 -0.176 0.000 2.887 167 G HA2 0.345 4.306 3.960 0.002 0.000 0.277 167 G HA3 0.345 4.306 3.960 0.002 0.000 0.277 167 G C -0.172 174.675 174.900 -0.088 0.000 1.346 167 G CA -0.504 44.531 45.100 -0.108 0.000 1.058 167 G HN 0.854 nan 8.290 nan 0.000 0.535 168 N N 0.258 118.929 118.700 -0.049 0.000 3.131 168 N HA 0.266 5.007 4.740 0.002 0.000 0.312 168 N C -1.090 174.413 175.510 -0.011 0.000 1.433 168 N CA -0.272 52.761 53.050 -0.028 0.000 1.141 168 N CB 1.021 39.499 38.487 -0.015 0.000 1.431 168 N HN 0.469 nan 8.380 nan 0.000 0.523 169 D N 0.028 120.418 120.400 -0.017 0.000 2.898 169 D HA 0.007 4.648 4.640 0.002 0.000 0.254 169 D C 1.274 177.556 176.300 -0.030 0.000 1.107 169 D CA -0.675 53.324 54.000 -0.001 0.000 0.729 169 D CB 0.636 41.461 40.800 0.042 0.000 1.734 169 D HN -0.012 nan 8.370 nan 0.000 0.452 170 I N 0.827 121.350 120.570 -0.079 0.000 2.226 170 I HA -0.145 4.027 4.170 0.002 0.000 0.245 170 I C 1.436 177.460 176.117 -0.155 0.000 1.100 170 I CA 1.404 62.610 61.300 -0.157 0.000 1.374 170 I CB -1.541 36.300 38.000 -0.266 0.000 1.057 170 I HN 0.548 nan 8.210 nan 0.000 0.413 171 Y N 1.798 122.077 120.300 -0.034 0.000 2.200 171 Y HA -0.240 4.311 4.550 0.002 0.000 0.290 171 Y C 2.626 178.494 175.900 -0.053 0.000 1.137 171 Y CA 1.801 59.876 58.100 -0.042 0.000 1.163 171 Y CB -0.376 38.064 38.460 -0.033 0.000 0.988 171 Y HN 0.256 nan 8.280 nan 0.000 0.518 172 D N -0.748 119.716 120.400 0.107 0.000 2.178 172 D HA -0.130 4.511 4.640 0.002 0.000 0.202 172 D C 1.887 178.173 176.300 -0.024 0.000 0.974 172 D CA 1.689 55.705 54.000 0.027 0.000 0.841 172 D CB -0.100 40.705 40.800 0.009 0.000 0.953 172 D HN 0.174 nan 8.370 nan 0.000 0.478 173 T N -0.052 114.475 114.554 -0.045 0.000 2.812 173 T HA -0.001 4.350 4.350 0.002 0.000 0.264 173 T C 2.019 176.661 174.700 -0.097 0.000 1.042 173 T CA 0.545 62.592 62.100 -0.088 0.000 1.140 173 T CB -0.142 68.667 68.868 -0.098 0.000 0.870 173 T HN 0.157 nan 8.240 nan 0.000 0.445 174 L N 0.811 121.988 121.223 -0.076 0.000 2.275 174 L HA 0.004 4.345 4.340 0.002 0.000 0.215 174 L C 2.690 179.497 176.870 -0.104 0.000 1.119 174 L CA 0.801 55.581 54.840 -0.101 0.000 0.790 174 L CB -0.359 41.663 42.059 -0.062 0.000 0.919 174 L HN 0.134 nan 8.230 nan 0.000 0.443 175 Q N 0.396 120.161 119.800 -0.057 0.000 2.403 175 Q HA -0.034 4.307 4.340 0.002 0.000 0.203 175 Q C 1.313 177.263 176.000 -0.083 0.000 0.932 175 Q CA 0.722 56.490 55.803 -0.059 0.000 0.945 175 Q CB 0.391 29.113 28.738 -0.026 0.000 1.045 175 Q HN 0.479 nan 8.270 nan 0.000 0.511 176 K N -0.351 119.986 120.400 -0.105 0.000 2.358 176 K HA 0.103 4.424 4.320 0.002 0.000 0.197 176 K C 0.218 176.735 176.600 -0.138 0.000 1.025 176 K CA -0.055 56.169 56.287 -0.105 0.000 1.104 176 K CB 0.720 33.163 32.500 -0.095 0.000 0.855 176 K HN 0.043 nan 8.250 nan 0.000 0.531 177 Q N 0.360 120.030 119.800 -0.216 0.000 2.256 177 Q HA 0.175 4.516 4.340 0.002 0.000 0.232 177 Q C 0.492 176.330 176.000 -0.270 0.000 0.965 177 Q CA -0.077 55.526 55.803 -0.333 0.000 0.908 177 Q CB 0.512 28.818 28.738 -0.720 0.000 1.209 177 Q HN 0.009 nan 8.270 nan 0.000 0.489 178 N N 0.155 118.730 118.700 -0.208 0.000 2.336 178 N HA 0.023 4.764 4.740 0.002 0.000 0.189 178 N C -0.301 175.219 175.510 0.016 0.000 1.113 178 N CA 0.300 53.316 53.050 -0.055 0.000 0.858 178 N CB 0.459 38.966 38.487 0.032 0.000 0.970 178 N HN 0.481 nan 8.380 nan 0.000 0.471 179 Y N -1.929 118.361 120.300 -0.017 0.000 2.633 179 Y HA 0.683 5.234 4.550 0.002 0.000 0.339 179 Y C -0.152 175.737 175.900 -0.018 0.000 1.045 179 Y CA -1.253 56.838 58.100 -0.015 0.000 1.098 179 Y CB 1.030 39.483 38.460 -0.012 0.000 1.296 179 Y HN -0.288 nan 8.280 nan 0.000 0.494 180 T N 2.410 117.066 114.554 0.171 0.000 3.031 180 T HA 0.480 4.831 4.350 0.002 0.000 0.305 180 T C -1.419 173.334 174.700 0.089 0.000 0.985 180 T CA -0.667 61.474 62.100 0.068 0.000 1.008 180 T CB 0.189 69.065 68.868 0.014 0.000 1.005 180 T HN 0.771 nan 8.240 nan 0.000 0.444 181 L N 5.913 127.174 121.223 0.063 0.000 2.367 181 L HA 0.571 4.912 4.340 0.002 0.000 0.275 181 L C 0.329 177.169 176.870 -0.050 0.000 1.129 181 L CA -0.219 54.609 54.840 -0.019 0.000 0.839 181 L CB 0.773 42.787 42.059 -0.075 0.000 1.133 181 L HN 0.572 nan 8.230 nan 0.000 0.453 182 M N 1.385 120.947 119.600 -0.063 0.000 2.667 182 M HA 0.354 4.835 4.480 0.002 0.000 0.286 182 M C -0.090 176.183 176.300 -0.044 0.000 1.270 182 M CA -0.686 54.578 55.300 -0.059 0.000 0.826 182 M CB 2.482 35.042 32.600 -0.067 0.000 1.743 182 M HN 0.601 nan 8.290 nan 0.000 0.460 183 S N -0.100 115.576 115.700 -0.040 0.000 2.593 183 S HA 0.080 4.552 4.470 0.002 0.000 0.269 183 S C 0.623 175.226 174.600 0.004 0.000 1.334 183 S CA -0.363 57.857 58.200 0.033 0.000 1.015 183 S CB 0.276 63.459 63.200 -0.028 0.000 0.912 183 S HN 0.953 nan 8.310 nan 0.000 0.541 184 W N 1.956 123.258 121.300 0.003 0.000 2.424 184 W HA 0.030 4.691 4.660 0.002 0.000 0.264 184 W C 1.328 177.840 176.519 -0.012 0.000 1.229 184 W CA 0.718 58.067 57.345 0.006 0.000 1.208 184 W CB -0.253 29.230 29.460 0.038 0.000 1.127 184 W HN 0.496 nan 8.180 nan 0.000 0.588 185 K N 1.058 120.845 120.400 -1.021 0.000 2.288 185 K HA -0.021 4.300 4.320 0.002 0.000 0.201 185 K C -0.301 176.053 176.600 -0.410 0.000 1.048 185 K CA 0.588 56.354 56.287 -0.868 0.000 0.956 185 K CB -0.660 31.280 32.500 -0.933 0.000 0.746 185 K HN 0.339 nan 8.250 nan 0.000 0.461 186 N N 1.564 120.082 118.700 -0.303 0.000 2.530 186 N HA 0.108 4.849 4.740 0.002 0.000 0.277 186 N C -2.598 172.786 175.510 -0.209 0.000 1.168 186 N CA -1.274 51.642 53.050 -0.224 0.000 0.979 186 N CB 0.694 39.072 38.487 -0.183 0.000 1.141 186 N HN -0.005 nan 8.380 nan 0.000 0.459 187 P HA 0.170 nan 4.420 nan 0.000 0.275 187 P C -2.704 174.417 177.300 -0.299 0.000 1.227 187 P CA -1.064 61.861 63.100 -0.290 0.000 0.781 187 P CB 0.732 32.120 31.700 -0.520 0.000 0.906 188 P HA 0.161 nan 4.420 nan 0.000 0.279 188 P C -0.023 177.016 177.300 -0.434 0.000 1.276 188 P CA -0.423 62.380 63.100 -0.494 0.000 0.801 188 P CB 0.656 31.715 31.700 -1.070 0.000 1.127 189 S N -0.577 114.889 115.700 -0.391 0.000 2.618 189 S HA 0.253 4.724 4.470 0.002 0.000 0.242 189 S C -0.330 173.884 174.600 -0.642 0.000 0.972 189 S CA -0.221 57.818 58.200 -0.269 0.000 1.004 189 S CB -1.161 62.113 63.200 0.122 0.000 0.778 189 S HN 0.493 nan 8.310 nan 0.000 0.459 190 Y N -1.359 118.377 120.300 -0.940 0.000 2.638 190 Y HA 0.585 5.136 4.550 0.002 0.000 0.335 190 Y C -0.662 175.023 175.900 -0.359 0.000 1.155 190 Y CA -1.841 55.825 58.100 -0.723 0.000 1.046 190 Y CB 0.599 38.878 38.460 -0.301 0.000 1.303 190 Y HN -0.106 nan 8.280 nan 0.000 0.460 191 R N 2.676 123.293 120.500 0.196 0.000 2.347 191 R HA 0.446 4.787 4.340 0.002 0.000 0.304 191 R C -0.746 175.771 176.300 0.361 0.000 1.072 191 R CA -0.258 56.074 56.100 0.388 0.000 0.980 191 R CB 0.562 31.037 30.300 0.293 0.000 0.986 191 R HN 0.936 nan 8.270 nan 0.000 0.448 192 R N 2.789 123.500 120.500 0.351 0.000 2.700 192 R HA 0.245 4.587 4.340 0.002 0.000 0.253 192 R C -0.711 175.752 176.300 0.273 0.000 1.091 192 R CA -0.780 55.523 56.100 0.339 0.000 1.104 192 R CB 0.701 31.182 30.300 0.302 0.000 1.202 192 R HN 0.488 nan 8.270 nan 0.000 0.532 193 F N 2.560 122.543 119.950 0.056 0.000 2.390 193 F HA 0.255 4.783 4.527 0.002 0.000 0.361 193 F C 0.191 176.040 175.800 0.081 0.000 1.124 193 F CA -0.279 57.648 58.000 -0.121 0.000 1.149 193 F CB -0.323 38.314 39.000 -0.605 0.000 1.160 193 F HN 0.641 nan 8.300 nan 0.000 0.501 194 F N 1.746 121.371 119.950 -0.541 0.000 2.184 194 F HA -0.448 4.080 4.527 0.002 0.000 0.318 194 F C 1.334 177.256 175.800 0.203 0.000 0.994 194 F CA 0.915 58.761 58.000 -0.258 0.000 0.913 194 F CB -0.573 38.112 39.000 -0.525 0.000 4.133 194 F HN 0.535 nan 8.300 nan 0.000 0.138 195 D N 1.006 121.644 120.400 0.396 0.000 2.427 195 D HA 0.239 4.880 4.640 0.002 0.000 0.224 195 D C -0.294 176.103 176.300 0.161 0.000 1.157 195 D CA 0.374 54.500 54.000 0.210 0.000 0.828 195 D CB -0.342 40.459 40.800 0.003 0.000 0.974 195 D HN 0.110 nan 8.370 nan 0.000 0.498 196 V N 2.165 122.193 119.914 0.189 0.000 2.372 196 V HA 0.053 4.174 4.120 0.002 0.000 0.261 196 V C 1.149 177.363 176.094 0.201 0.000 1.055 196 V CA -0.589 61.813 62.300 0.171 0.000 0.930 196 V CB 0.692 32.620 31.823 0.176 0.000 1.031 196 V HN 0.034 nan 8.190 nan 0.000 0.479 197 N N 3.425 122.241 118.700 0.194 0.000 2.289 197 N HA -0.117 4.624 4.740 0.002 0.000 0.184 197 N C 1.805 177.496 175.510 0.301 0.000 1.016 197 N CA 1.671 54.859 53.050 0.231 0.000 0.872 197 N CB -0.110 38.500 38.487 0.204 0.000 0.973 197 N HN 0.842 nan 8.380 nan 0.000 0.433 198 T N -1.789 112.910 114.554 0.243 0.000 3.272 198 T HA 0.318 4.669 4.350 0.002 0.000 0.250 198 T C 0.509 175.304 174.700 0.159 0.000 1.082 198 T CA -0.038 62.198 62.100 0.227 0.000 0.968 198 T CB -0.281 68.722 68.868 0.225 0.000 1.015 198 T HN -0.027 nan 8.240 nan 0.000 0.563 199 L N 1.271 122.596 121.223 0.170 0.000 2.409 199 L HA 0.653 4.994 4.340 0.002 0.000 0.272 199 L C -0.918 176.053 176.870 0.169 0.000 0.980 199 L CA -1.157 53.753 54.840 0.116 0.000 0.826 199 L CB 2.523 44.591 42.059 0.014 0.000 1.268 199 L HN 0.247 nan 8.230 nan 0.000 0.407 200 I N 1.702 122.331 120.570 0.098 0.000 2.509 200 I HA 0.598 4.769 4.170 0.002 0.000 0.293 200 I C 0.472 176.696 176.117 0.178 0.000 1.020 200 I CA -0.398 60.929 61.300 0.046 0.000 1.088 200 I CB 1.909 39.658 38.000 -0.418 0.000 1.267 200 I HN 0.635 nan 8.210 nan 0.000 0.430 201 G N 6.164 115.075 108.800 0.184 0.000 2.491 201 G HA2 0.421 4.382 3.960 0.002 0.000 0.242 201 G HA3 0.421 4.382 3.960 0.002 0.000 0.242 201 G C -0.738 174.225 174.900 0.105 0.000 1.266 201 G CA -0.263 44.938 45.100 0.170 0.000 0.844 201 G HN 0.447 nan 8.290 nan 0.000 0.571 202 V N 2.608 122.539 119.914 0.028 0.000 2.459 202 V HA 0.179 4.300 4.120 0.002 0.000 0.295 202 V C -0.126 175.857 176.094 -0.183 0.000 1.029 202 V CA -1.203 61.006 62.300 -0.151 0.000 0.874 202 V CB 1.800 33.505 31.823 -0.196 0.000 0.985 202 V HN 0.679 nan 8.190 nan 0.000 0.438 203 N N 3.177 121.720 118.700 -0.261 0.000 3.193 203 N HA 0.014 4.755 4.740 0.002 0.000 0.312 203 N C 1.068 176.439 175.510 -0.231 0.000 1.261 203 N CA 0.104 53.028 53.050 -0.211 0.000 1.208 203 N CB 0.961 39.327 38.487 -0.203 0.000 1.471 203 N HN 0.529 nan 8.380 nan 0.000 0.548 204 V N 0.206 120.024 119.914 -0.160 0.000 2.867 204 V HA -0.162 3.959 4.120 0.002 0.000 0.260 204 V C 1.476 177.579 176.094 0.015 0.000 1.099 204 V CA 1.164 63.430 62.300 -0.057 0.000 1.122 204 V CB -0.318 31.520 31.823 0.026 0.000 0.708 204 V HN 0.529 nan 8.190 nan 0.000 0.490 208 H N 1.781 120.904 119.070 0.087 0.000 2.457 208 H HA 0.090 4.648 4.556 0.002 0.000 0.294 208 H C 1.725 177.119 175.328 0.110 0.000 1.064 208 H CA 1.246 57.354 56.048 0.101 0.000 1.330 208 H CB -0.357 29.459 29.762 0.091 0.000 1.395 208 H HN 0.040 nan 8.280 nan 0.000 0.541 209 V N 1.071 120.700 119.914 -0.474 0.000 2.379 209 V HA -0.189 3.932 4.120 0.002 0.000 0.245 209 V C 2.551 178.520 176.094 -0.208 0.000 1.044 209 V CA 1.610 63.648 62.300 -0.437 0.000 1.036 209 V CB -1.079 30.352 31.823 -0.654 0.000 0.664 209 V HN 0.287 nan 8.190 nan 0.000 0.453 210 F N 1.050 120.883 119.950 -0.196 0.000 2.095 210 F HA -0.209 4.319 4.527 0.002 0.000 0.298 210 F C 2.592 178.383 175.800 -0.016 0.000 1.104 210 F CA 1.891 59.832 58.000 -0.098 0.000 1.232 210 F CB -0.355 38.561 39.000 -0.140 0.000 0.987 210 F HN 0.057 nan 8.300 nan 0.000 0.475 211 Q N 0.619 120.394 119.800 -0.042 0.000 2.061 211 Q HA -0.278 4.063 4.340 0.002 0.000 0.204 211 Q C 2.309 178.263 176.000 -0.077 0.000 0.984 211 Q CA 2.211 57.962 55.803 -0.086 0.000 0.846 211 Q CB -0.787 28.007 28.738 0.093 0.000 0.902 211 Q HN 0.695 nan 8.270 nan 0.000 0.421 212 E N 0.231 120.453 120.200 0.036 0.000 2.072 212 E HA -0.134 4.217 4.350 0.002 0.000 0.191 212 E C 1.943 178.562 176.600 0.032 0.000 0.985 212 E CA 1.369 57.839 56.400 0.116 0.000 0.801 212 E CB 0.076 29.960 29.700 0.307 0.000 0.750 212 E HN 0.340 nan 8.360 nan 0.000 0.452 213 S N -0.537 115.099 115.700 -0.106 0.000 2.442 213 S HA -0.152 4.320 4.470 0.002 0.000 0.236 213 S C 1.456 175.718 174.600 -0.564 0.000 1.007 213 S CA 0.980 58.883 58.200 -0.496 0.000 0.965 213 S CB -0.339 62.405 63.200 -0.761 0.000 0.773 213 S HN 0.418 nan 8.310 nan 0.000 0.504 214 H N 1.476 120.273 119.070 -0.455 0.000 2.672 214 H HA 0.330 4.887 4.556 0.002 0.000 0.277 214 H C 0.964 176.133 175.328 -0.264 0.000 1.074 214 H CA 0.292 56.084 56.048 -0.425 0.000 1.173 214 H CB 0.369 29.673 29.762 -0.763 0.000 1.558 214 H HN 0.582 nan 8.280 nan 0.000 0.539 218 L N 0.623 121.889 121.223 0.072 0.000 2.554 218 L HA 0.106 4.447 4.340 0.002 0.000 0.226 218 L C 1.180 178.112 176.870 0.103 0.000 1.137 218 L CA 0.955 55.849 54.840 0.090 0.000 0.863 218 L CB -0.277 41.781 42.059 -0.002 0.000 0.985 218 L HN 0.217 nan 8.230 nan 0.000 0.451 219 D N -0.096 120.356 120.400 0.087 0.000 2.347 219 D HA 0.059 4.700 4.640 0.002 0.000 0.213 219 D C 0.672 177.024 176.300 0.086 0.000 0.985 219 D CA 0.358 54.402 54.000 0.074 0.000 0.879 219 D CB 0.310 41.145 40.800 0.058 0.000 0.919 219 D HN 0.128 nan 8.370 nan 0.000 0.526 220 L N 0.230 121.526 121.223 0.122 0.000 2.357 220 L HA 0.266 4.608 4.340 0.002 0.000 0.273 220 L C 0.456 177.377 176.870 0.083 0.000 1.080 220 L CA -0.618 54.285 54.840 0.105 0.000 0.803 220 L CB 1.176 43.344 42.059 0.182 0.000 1.174 220 L HN -0.238 nan 8.230 nan 0.000 0.443 221 D N 1.553 121.966 120.400 0.021 0.000 3.008 221 D HA 0.128 4.769 4.640 0.002 0.000 0.242 221 D C -0.017 176.309 176.300 0.044 0.000 1.222 221 D CA -0.223 53.800 54.000 0.038 0.000 0.883 221 D CB -0.145 40.681 40.800 0.042 0.000 1.110 221 D HN 0.244 nan 8.370 nan 0.000 0.455 222 V N -2.270 117.639 119.914 -0.009 0.000 3.214 222 V HA 0.284 4.405 4.120 0.002 0.000 0.306 222 V C 0.962 177.010 176.094 -0.077 0.000 1.078 222 V CA -0.235 62.017 62.300 -0.080 0.000 1.077 222 V CB 1.512 33.223 31.823 -0.187 0.000 1.121 222 V HN 0.019 nan 8.190 nan 0.000 0.468 223 D N 1.257 121.620 120.400 -0.061 0.000 2.354 223 D HA 0.328 4.969 4.640 0.002 0.000 0.209 223 D C 0.686 176.919 176.300 -0.111 0.000 1.015 223 D CA 1.364 55.346 54.000 -0.030 0.000 0.867 223 D CB 1.131 41.988 40.800 0.095 0.000 0.933 223 D HN 0.949 nan 8.370 nan 0.000 0.520 224 G N -0.381 108.239 108.800 -0.300 0.000 2.495 224 G HA2 0.458 4.419 3.960 0.002 0.000 0.294 224 G HA3 0.458 4.419 3.960 0.002 0.000 0.294 224 G C -2.164 172.382 174.900 -0.589 0.000 1.397 224 G CA -0.806 44.108 45.100 -0.311 0.000 0.790 224 G HN -0.015 nan 8.290 nan 0.000 0.486 225 Y N -0.481 119.848 120.300 0.048 0.000 2.524 225 Y HA 0.746 5.297 4.550 0.002 0.000 0.347 225 Y C 0.176 176.118 175.900 0.070 0.000 1.005 225 Y CA -1.075 57.076 58.100 0.085 0.000 1.025 225 Y CB 2.474 41.000 38.460 0.109 0.000 1.275 225 Y HN 0.481 nan 8.280 nan 0.000 0.460 226 R N 3.740 124.401 120.500 0.268 0.000 2.360 226 R HA 0.437 4.778 4.340 0.002 0.000 0.318 226 R C -1.707 174.755 176.300 0.270 0.000 0.950 226 R CA -0.517 55.709 56.100 0.210 0.000 0.837 226 R CB 0.652 31.092 30.300 0.233 0.000 1.165 226 R HN 0.691 nan 8.270 nan 0.000 0.458 227 I N 3.837 124.547 120.570 0.234 0.000 2.301 227 I HA 0.131 4.302 4.170 0.002 0.000 0.292 227 I C 0.378 176.614 176.117 0.197 0.000 1.046 227 I CA -0.733 60.703 61.300 0.228 0.000 1.282 227 I CB 0.612 38.751 38.000 0.232 0.000 1.409 227 I HN 0.551 nan 8.210 nan 0.000 0.484 228 D N 5.515 126.039 120.400 0.206 0.000 2.390 228 D HA 0.011 4.652 4.640 0.002 0.000 0.249 228 D C 0.711 177.119 176.300 0.179 0.000 1.144 228 D CA 0.362 54.489 54.000 0.213 0.000 0.880 228 D CB 0.332 41.285 40.800 0.254 0.000 1.182 228 D HN 0.551 nan 8.370 nan 0.000 0.451 229 H N 2.517 121.636 119.070 0.082 0.000 2.506 229 H HA -0.216 4.341 4.556 0.002 0.000 0.323 229 H C 0.808 176.182 175.328 0.078 0.000 1.076 229 H CA 0.225 56.336 56.048 0.106 0.000 1.108 229 H CB -1.196 28.657 29.762 0.152 0.000 1.569 229 H HN 0.527 nan 8.280 nan 0.000 0.399 230 I N 0.474 121.017 120.570 -0.045 0.000 2.335 230 I HA -0.182 3.989 4.170 0.002 0.000 0.251 230 I C 1.671 177.705 176.117 -0.139 0.000 1.129 230 I CA 1.733 62.985 61.300 -0.079 0.000 1.402 230 I CB -0.102 37.907 38.000 0.016 0.000 1.069 230 I HN 0.474 nan 8.210 nan 0.000 0.424 231 D N 0.183 120.447 120.400 -0.226 0.000 2.378 231 D HA -0.028 4.613 4.640 0.002 0.000 0.222 231 D C 2.115 178.234 176.300 -0.302 0.000 0.980 231 D CA 1.067 54.952 54.000 -0.192 0.000 0.907 231 D CB -0.292 40.460 40.800 -0.079 0.000 0.899 231 D HN 0.515 nan 8.370 nan 0.000 0.527 232 G N -0.260 108.230 108.800 -0.517 0.000 2.623 232 G HA2 0.009 3.970 3.960 0.002 0.000 0.214 232 G HA3 0.009 3.970 3.960 0.002 0.000 0.214 232 G C 0.610 175.478 174.900 -0.053 0.000 1.138 232 G CA -0.154 44.846 45.100 -0.166 0.000 0.794 232 G HN 0.104 nan 8.290 nan 0.000 0.535 233 L N -0.301 120.874 121.223 -0.081 0.000 2.439 233 L HA 0.203 4.544 4.340 0.002 0.000 0.269 233 L C 1.429 178.324 176.870 0.041 0.000 1.179 233 L CA -0.407 54.417 54.840 -0.026 0.000 0.828 233 L CB 0.525 42.529 42.059 -0.092 0.000 1.106 233 L HN 0.237 nan 8.230 nan 0.000 0.467 234 Y N 0.709 120.994 120.300 -0.024 0.000 2.181 234 Y HA -0.141 4.410 4.550 0.002 0.000 0.288 234 Y C 0.839 176.757 175.900 0.030 0.000 1.146 234 Y CA 1.519 59.623 58.100 0.005 0.000 1.164 234 Y CB 0.375 38.842 38.460 0.011 0.000 0.982 234 Y HN 0.645 nan 8.280 nan 0.000 0.515 235 D N -1.201 119.292 120.400 0.156 0.000 2.429 235 D HA 0.220 4.861 4.640 0.002 0.000 0.255 235 D C -2.281 174.081 176.300 0.103 0.000 1.257 235 D CA -2.046 52.012 54.000 0.096 0.000 0.890 235 D CB 1.171 42.077 40.800 0.177 0.000 1.267 235 D HN -0.001 nan 8.370 nan 0.000 0.521 236 P HA -0.162 nan 4.420 nan 0.000 0.215 236 P C 0.858 178.214 177.300 0.093 0.000 1.157 236 P CA 1.362 64.522 63.100 0.100 0.000 0.874 236 P CB 0.562 32.331 31.700 0.114 0.000 0.790 237 E N -0.098 120.124 120.200 0.037 0.000 2.051 237 E HA -0.186 4.165 4.350 0.002 0.000 0.192 237 E C 1.988 178.578 176.600 -0.017 0.000 0.991 237 E CA 1.143 57.538 56.400 -0.007 0.000 0.799 237 E CB -0.734 28.949 29.700 -0.029 0.000 0.748 237 E HN 0.265 nan 8.360 nan 0.000 0.449 238 K N -0.039 120.359 120.400 -0.003 0.000 2.057 238 K HA -0.222 4.099 4.320 0.002 0.000 0.207 238 K C 2.181 178.705 176.600 -0.126 0.000 1.049 238 K CA 1.238 57.492 56.287 -0.055 0.000 0.931 238 K CB -0.248 32.240 32.500 -0.020 0.000 0.714 238 K HN 0.189 nan 8.250 nan 0.000 0.440 239 Y N 1.647 121.846 120.300 -0.168 0.000 2.128 239 Y HA -0.257 4.294 4.550 0.002 0.000 0.284 239 Y C 1.875 177.644 175.900 -0.217 0.000 1.154 239 Y CA 1.619 59.582 58.100 -0.229 0.000 1.149 239 Y CB -0.154 38.246 38.460 -0.101 0.000 0.976 239 Y HN 0.014 nan 8.280 nan 0.000 0.505 240 I N 0.787 121.273 120.570 -0.140 0.000 2.208 240 I HA -0.331 3.840 4.170 0.002 0.000 0.245 240 I C 1.965 177.938 176.117 -0.240 0.000 1.097 240 I CA 1.463 62.655 61.300 -0.181 0.000 1.363 240 I CB -1.491 36.482 38.000 -0.045 0.000 1.051 240 I HN 0.374 nan 8.210 nan 0.000 0.413 241 N N 1.144 119.720 118.700 -0.206 0.000 2.120 241 N HA -0.171 4.570 4.740 0.002 0.000 0.188 241 N C 1.463 176.809 175.510 -0.273 0.000 1.024 241 N CA 1.308 54.242 53.050 -0.193 0.000 0.852 241 N CB -0.333 38.065 38.487 -0.147 0.000 1.003 241 N HN 0.344 nan 8.380 nan 0.000 0.424 242 D N 0.770 120.904 120.400 -0.443 0.000 2.117 242 D HA -0.073 4.568 4.640 0.002 0.000 0.197 242 D C 2.182 178.199 176.300 -0.472 0.000 0.987 242 D CA 0.433 54.051 54.000 -0.637 0.000 0.829 242 D CB -0.254 39.749 40.800 -1.329 0.000 0.961 242 D HN 0.231 nan 8.370 nan 0.000 0.460 243 L N 0.398 121.335 121.223 -0.477 0.000 2.017 243 L HA -0.121 4.220 4.340 0.002 0.000 0.208 243 L C 2.582 179.362 176.870 -0.151 0.000 1.073 243 L CA 1.096 55.778 54.840 -0.264 0.000 0.745 243 L CB -0.223 41.608 42.059 -0.380 0.000 0.894 243 L HN -0.045 nan 8.230 nan 0.000 0.432 244 R N -0.193 120.216 120.500 -0.152 0.000 2.152 244 R HA -0.125 4.216 4.340 0.002 0.000 0.232 244 R C 2.485 178.746 176.300 -0.065 0.000 1.117 244 R CA 1.482 57.532 56.100 -0.084 0.000 0.981 244 R CB -0.408 29.845 30.300 -0.079 0.000 0.870 244 R HN 0.495 nan 8.270 nan 0.000 0.451 245 S N 0.225 115.873 115.700 -0.087 0.000 2.442 245 S HA -0.067 4.404 4.470 0.002 0.000 0.236 245 S C 1.822 176.409 174.600 -0.021 0.000 1.007 245 S CA 0.844 59.009 58.200 -0.057 0.000 0.965 245 S CB -0.130 63.025 63.200 -0.076 0.000 0.773 245 S HN 0.260 nan 8.310 nan 0.000 0.504 246 I N -0.742 119.822 120.570 -0.010 0.000 3.194 246 I HA 0.261 4.432 4.170 0.002 0.000 0.271 246 I C 1.692 177.823 176.117 0.022 0.000 1.150 246 I CA 0.236 61.546 61.300 0.017 0.000 1.440 246 I CB -0.018 38.005 38.000 0.039 0.000 1.276 246 I HN 0.207 nan 8.210 nan 0.000 0.457 247 I N 0.644 121.226 120.570 0.019 0.000 3.419 247 I HA -0.021 4.150 4.170 0.002 0.000 0.286 247 I C 1.134 177.282 176.117 0.052 0.000 1.268 247 I CA 0.630 61.967 61.300 0.062 0.000 1.414 247 I CB -0.570 37.489 38.000 0.098 0.000 1.074 247 I HN 0.095 nan 8.210 nan 0.000 0.457 248 K N -0.013 120.397 120.400 0.017 0.000 1.979 248 K HA -0.291 4.030 4.320 0.002 0.000 0.143 248 K C 0.309 176.914 176.600 0.008 0.000 1.185 248 K CA 2.059 58.350 56.287 0.006 0.000 0.336 248 K CB -1.378 31.127 32.500 0.008 0.000 0.680 248 K HN 0.386 nan 8.250 nan 0.000 0.783 252 I N 6.658 127.250 120.570 0.036 0.000 2.468 252 I HA 0.498 4.669 4.170 0.002 0.000 0.284 252 I C -0.227 175.908 176.117 0.030 0.000 1.038 252 I CA -0.590 60.758 61.300 0.080 0.000 1.083 252 I CB 1.865 39.914 38.000 0.081 0.000 1.223 252 I HN 0.404 nan 8.210 nan 0.000 0.443 253 I N 5.448 126.035 120.570 0.028 0.000 2.530 253 I HA 0.801 4.972 4.170 0.002 0.000 0.297 253 I C -0.335 175.813 176.117 0.051 0.000 1.011 253 I CA -0.928 60.369 61.300 -0.004 0.000 1.107 253 I CB 1.992 39.945 38.000 -0.078 0.000 1.285 253 I HN 0.287 nan 8.210 nan 0.000 0.436 254 V N 1.322 121.266 119.914 0.050 0.000 2.667 254 V HA 0.524 4.645 4.120 0.002 0.000 0.308 254 V C -0.172 175.980 176.094 0.097 0.000 1.048 254 V CA -0.632 61.721 62.300 0.087 0.000 0.928 254 V CB 1.742 33.609 31.823 0.072 0.000 1.004 254 V HN 0.978 nan 8.190 nan 0.000 0.444 255 E N 3.490 123.774 120.200 0.140 0.000 2.052 255 E HA 0.337 4.688 4.350 0.002 0.000 0.283 255 E C -0.870 175.806 176.600 0.127 0.000 1.071 255 E CA -0.430 56.076 56.400 0.177 0.000 0.851 255 E CB 0.572 30.411 29.700 0.232 0.000 1.066 255 E HN 0.708 nan 8.360 nan 0.000 0.396 256 K N 6.340 126.796 120.400 0.093 0.000 2.588 256 K HA 0.215 4.536 4.320 0.002 0.000 0.250 256 K C -1.156 175.405 176.600 -0.066 0.000 0.972 256 K CA -0.749 55.543 56.287 0.008 0.000 0.821 256 K CB 0.982 33.497 32.500 0.026 0.000 1.249 256 K HN 0.488 nan 8.250 nan 0.000 0.442 257 I N 5.130 125.517 120.570 -0.305 0.000 2.371 257 I HA 0.235 4.406 4.170 0.002 0.000 0.290 257 I C 0.342 176.258 176.117 -0.336 0.000 1.028 257 I CA -0.718 60.312 61.300 -0.450 0.000 1.345 257 I CB 0.438 37.804 38.000 -1.057 0.000 1.407 257 I HN 0.352 nan 8.210 nan 0.000 0.501 258 L N 4.849 125.987 121.223 -0.141 0.000 2.334 258 L HA 0.588 4.929 4.340 0.002 0.000 0.272 258 L C 0.835 177.702 176.870 -0.005 0.000 1.020 258 L CA -0.301 54.511 54.840 -0.046 0.000 0.812 258 L CB 1.380 43.437 42.059 -0.003 0.000 1.264 258 L HN 0.656 nan 8.230 nan 0.000 0.439 259 G N 0.234 109.068 108.800 0.058 0.000 2.572 259 G HA2 0.251 4.212 3.960 0.002 0.000 0.261 259 G HA3 0.251 4.212 3.960 0.002 0.000 0.261 259 G C 0.577 175.572 174.900 0.159 0.000 1.197 259 G CA -0.282 44.901 45.100 0.138 0.000 0.870 259 G HN 0.471 nan 8.290 nan 0.000 0.548 260 F N -0.749 119.198 119.950 -0.004 0.000 2.202 260 F HA -0.073 4.455 4.527 0.002 0.000 0.301 260 F C 2.786 178.637 175.800 0.084 0.000 1.082 260 F CA 1.571 59.538 58.000 -0.056 0.000 1.313 260 F CB 0.202 38.941 39.000 -0.435 0.000 1.024 260 F HN 0.409 nan 8.300 nan 0.000 0.495 261 Q N -0.632 119.309 119.800 0.235 0.000 2.179 261 Q HA 0.079 4.420 4.340 0.002 0.000 0.213 261 Q C 0.128 176.203 176.000 0.126 0.000 0.833 261 Q CA -0.152 55.760 55.803 0.182 0.000 0.990 261 Q CB 0.529 29.376 28.738 0.183 0.000 1.132 261 Q HN 0.331 nan 8.270 nan 0.000 0.493 262 E N 2.439 122.706 120.200 0.112 0.000 2.301 262 E HA 0.048 4.399 4.350 0.002 0.000 0.275 262 E C -0.556 176.076 176.600 0.052 0.000 1.030 262 E CA -0.385 56.065 56.400 0.083 0.000 0.852 262 E CB 0.802 30.555 29.700 0.088 0.000 1.060 262 E HN 0.053 nan 8.360 nan 0.000 0.401 263 E N 4.598 124.819 120.200 0.036 0.000 2.191 263 E HA 0.171 4.522 4.350 0.002 0.000 0.274 263 E C -0.586 176.006 176.600 -0.014 0.000 0.948 263 E CA -1.000 55.400 56.400 0.000 0.000 0.802 263 E CB 1.455 31.148 29.700 -0.011 0.000 1.137 263 E HN 0.393 nan 8.360 nan 0.000 0.397 264 L N 2.700 123.899 121.223 -0.041 0.000 2.562 264 L HA 0.017 4.358 4.340 0.002 0.000 0.271 264 L C 0.773 177.582 176.870 -0.102 0.000 1.167 264 L CA 0.724 55.524 54.840 -0.067 0.000 0.917 264 L CB 0.103 42.119 42.059 -0.072 0.000 1.187 264 L HN 0.570 nan 8.230 nan 0.000 0.482 265 K N 4.661 124.963 120.400 -0.164 0.000 2.393 265 K HA 0.207 4.528 4.320 0.002 0.000 0.193 265 K C 0.160 176.602 176.600 -0.263 0.000 1.026 265 K CA -0.034 56.129 56.287 -0.207 0.000 1.064 265 K CB 0.071 32.435 32.500 -0.227 0.000 0.833 265 K HN 0.527 nan 8.250 nan 0.000 0.521 266 L N 2.205 123.261 121.223 -0.278 0.000 2.468 266 L HA 0.075 4.416 4.340 0.002 0.000 0.254 266 L C 0.639 177.431 176.870 -0.131 0.000 1.171 266 L CA -0.583 54.122 54.840 -0.224 0.000 0.809 266 L CB 0.267 42.208 42.059 -0.197 0.000 1.155 266 L HN 0.190 nan 8.230 nan 0.000 0.473 267 N N -0.275 118.365 118.700 -0.100 0.000 2.802 267 N HA 0.055 4.796 4.740 0.002 0.000 0.288 267 N C -0.421 175.054 175.510 -0.057 0.000 1.268 267 N CA -0.151 52.854 53.050 -0.075 0.000 1.035 267 N CB 0.599 39.045 38.487 -0.068 0.000 1.353 267 N HN 0.353 nan 8.380 nan 0.000 0.522 268 S N -0.506 115.161 115.700 -0.055 0.000 2.681 268 S HA 0.257 4.728 4.470 0.002 0.000 0.299 268 S C 0.577 175.149 174.600 -0.048 0.000 1.113 268 S CA -0.642 57.536 58.200 -0.036 0.000 1.013 268 S CB 1.321 64.507 63.200 -0.023 0.000 1.076 268 S HN 0.176 nan 8.310 nan 0.000 0.534 269 D N 0.941 121.316 120.400 -0.042 0.000 2.103 269 D HA 0.166 4.807 4.640 0.002 0.000 0.199 269 D C 0.867 177.123 176.300 -0.073 0.000 0.978 269 D CA 1.087 55.051 54.000 -0.059 0.000 0.829 269 D CB 0.044 40.809 40.800 -0.059 0.000 0.981 269 D HN 0.632 nan 8.370 nan 0.000 0.464 270 G N -1.121 107.639 108.800 -0.066 0.000 2.494 270 G HA2 0.411 4.372 3.960 0.002 0.000 0.308 270 G HA3 0.411 4.372 3.960 0.002 0.000 0.308 270 G C -0.970 173.899 174.900 -0.052 0.000 1.263 270 G CA 0.044 45.099 45.100 -0.075 0.000 0.840 270 G HN 0.166 nan 8.290 nan 0.000 0.479 271 T N -3.590 110.934 114.554 -0.051 0.000 2.883 271 T HA 0.555 4.906 4.350 0.002 0.000 0.284 271 T C 1.409 176.085 174.700 -0.040 0.000 1.041 271 T CA 0.768 62.858 62.100 -0.017 0.000 1.007 271 T CB 1.197 70.074 68.868 0.015 0.000 1.220 271 T HN 1.271 nan 8.240 nan 0.000 0.552 272 T N -2.474 112.074 114.554 -0.010 0.000 3.163 272 T HA 0.338 4.689 4.350 0.002 0.000 0.260 272 T C 1.641 176.252 174.700 -0.149 0.000 1.156 272 T CA 0.531 62.595 62.100 -0.060 0.000 1.072 272 T CB -0.966 67.923 68.868 0.035 0.000 0.937 272 T HN 1.998 nan 8.240 nan 0.000 0.528 273 G N 0.279 109.024 108.800 -0.092 0.000 2.130 273 G HA2 -0.264 3.697 3.960 0.002 0.000 0.216 273 G HA3 -0.264 3.697 3.960 0.002 0.000 0.216 273 G C 0.335 175.215 174.900 -0.032 0.000 0.999 273 G CA 0.057 45.121 45.100 -0.060 0.000 0.686 273 G HN 0.516 nan 8.290 nan 0.000 0.515 274 Y N 1.522 121.866 120.300 0.072 0.000 2.421 274 Y HA -0.053 4.498 4.550 0.002 0.000 0.292 274 Y C 2.598 178.531 175.900 0.056 0.000 1.136 274 Y CA 1.672 59.809 58.100 0.061 0.000 1.255 274 Y CB -0.025 38.445 38.460 0.017 0.000 0.991 274 Y HN 0.531 nan 8.280 nan 0.000 0.552 275 D N -0.695 119.820 120.400 0.192 0.000 2.117 275 D HA -0.254 4.387 4.640 0.002 0.000 0.198 275 D C 2.026 178.393 176.300 0.112 0.000 0.982 275 D CA 0.971 55.037 54.000 0.111 0.000 0.828 275 D CB -1.264 39.627 40.800 0.151 0.000 0.967 275 D HN 0.349 nan 8.370 nan 0.000 0.464 276 F N 1.074 121.115 119.950 0.152 0.000 2.113 276 F HA -0.087 4.441 4.527 0.002 0.000 0.297 276 F C 2.169 178.032 175.800 0.106 0.000 1.103 276 F CA 0.762 58.873 58.000 0.184 0.000 1.248 276 F CB -0.250 38.863 39.000 0.187 0.000 0.999 276 F HN -0.033 nan 8.300 nan 0.000 0.475 277 L N 1.401 122.782 121.223 0.263 0.000 2.021 277 L HA -0.296 4.045 4.340 0.002 0.000 0.215 277 L C 1.852 178.749 176.870 0.046 0.000 1.074 277 L CA 2.088 57.027 54.840 0.166 0.000 0.760 277 L CB -1.512 40.657 42.059 0.183 0.000 0.889 277 L HN 0.264 nan 8.230 nan 0.000 0.433 278 N N -1.976 116.751 118.700 0.044 0.000 2.333 278 N HA -0.139 4.602 4.740 0.002 0.000 0.178 278 N C 1.903 177.373 175.510 -0.067 0.000 1.018 278 N CA 1.107 54.181 53.050 0.040 0.000 0.882 278 N CB -0.171 38.405 38.487 0.148 0.000 0.984 278 N HN 0.423 nan 8.380 nan 0.000 0.434 279 Y N 2.102 122.156 120.300 -0.409 0.000 2.163 279 Y HA -0.197 4.354 4.550 0.002 0.000 0.288 279 Y C 2.954 178.646 175.900 -0.346 0.000 1.136 279 Y CA 1.735 59.543 58.100 -0.487 0.000 1.147 279 Y CB -0.143 37.693 38.460 -1.040 0.000 0.987 279 Y HN 0.118 nan 8.280 nan 0.000 0.509 280 S N -0.428 115.097 115.700 -0.293 0.000 2.402 280 S HA -0.195 4.276 4.470 0.002 0.000 0.229 280 S C 1.834 176.382 174.600 -0.087 0.000 1.021 280 S CA 1.280 59.247 58.200 -0.390 0.000 0.974 280 S CB -0.669 62.184 63.200 -0.578 0.000 0.800 280 S HN 0.447 nan 8.310 nan 0.000 0.484 281 N N 1.990 120.674 118.700 -0.027 0.000 2.166 281 N HA 0.022 4.763 4.740 0.002 0.000 0.186 281 N C 1.499 177.033 175.510 0.039 0.000 1.019 281 N CA 1.373 54.468 53.050 0.075 0.000 0.856 281 N CB -0.690 37.815 38.487 0.029 0.000 0.993 281 N HN 0.512 nan 8.380 nan 0.000 0.426 282 L N 0.024 121.194 121.223 -0.089 0.000 2.456 282 L HA -0.027 4.314 4.340 0.002 0.000 0.224 282 L C 1.653 178.347 176.870 -0.293 0.000 1.148 282 L CA 0.296 55.025 54.840 -0.184 0.000 0.825 282 L CB -0.253 41.708 42.059 -0.163 0.000 0.937 282 L HN 0.240 nan 8.230 nan 0.000 0.450 283 L N -1.424 119.571 121.223 -0.380 0.000 2.395 283 L HA -0.088 4.253 4.340 0.002 0.000 0.218 283 L C 1.330 177.712 176.870 -0.814 0.000 1.130 283 L CA 0.795 55.250 54.840 -0.641 0.000 0.826 283 L CB -0.152 41.361 42.059 -0.910 0.000 0.941 283 L HN 0.191 nan 8.230 nan 0.000 0.451 284 F N -0.708 119.032 119.950 -0.349 0.000 2.641 284 F HA 0.162 4.690 4.527 0.002 0.000 0.302 284 F C 0.452 175.954 175.800 -0.497 0.000 1.098 284 F CA -0.470 57.344 58.000 -0.310 0.000 1.318 284 F CB -0.275 38.645 39.000 -0.134 0.000 1.035 284 F HN 0.026 nan 8.300 nan 0.000 0.551 285 N N -0.061 118.249 118.700 -0.651 0.000 2.399 285 N HA 0.584 5.325 4.740 0.002 0.000 0.295 285 N C -1.137 173.905 175.510 -0.781 0.000 1.048 285 N CA -0.501 52.180 53.050 -0.615 0.000 0.886 285 N CB 1.439 39.468 38.487 -0.764 0.000 1.185 285 N HN -0.120 nan 8.380 nan 0.000 0.487 286 F N -0.186 119.847 119.950 0.139 0.000 2.664 286 F HA 0.402 4.930 4.527 0.002 0.000 0.329 286 F C 0.464 176.412 175.800 0.246 0.000 1.090 286 F CA -1.116 56.997 58.000 0.187 0.000 0.978 286 F CB 1.037 40.075 39.000 0.064 0.000 1.378 286 F HN 0.421 nan 8.300 nan 0.000 0.495 287 N N 0.890 119.796 118.700 0.342 0.000 2.714 287 N HA -0.250 4.491 4.740 0.002 0.000 0.252 287 N C 0.952 176.481 175.510 0.033 0.000 1.014 287 N CA 0.713 53.865 53.050 0.169 0.000 0.735 287 N CB -0.527 38.054 38.487 0.158 0.000 0.924 287 N HN 0.717 nan 8.380 nan 0.000 0.540 288 Q N 0.515 120.220 119.800 -0.157 0.000 2.045 288 Q HA -0.301 4.041 4.340 0.002 0.000 0.206 288 Q C 1.212 177.034 176.000 -0.297 0.000 0.991 288 Q CA 2.284 57.694 55.803 -0.656 0.000 0.851 288 Q CB 0.106 28.380 28.738 -0.774 0.000 0.911 288 Q HN 0.582 nan 8.270 nan 0.000 0.418 289 E N 0.811 120.929 120.200 -0.137 0.000 2.070 289 E HA -0.201 4.150 4.350 0.002 0.000 0.197 289 E C 1.936 178.529 176.600 -0.011 0.000 1.004 289 E CA 1.802 58.169 56.400 -0.055 0.000 0.805 289 E CB -0.524 29.165 29.700 -0.019 0.000 0.744 289 E HN 0.529 nan 8.360 nan 0.000 0.451 290 I N 0.060 120.638 120.570 0.014 0.000 2.252 290 I HA -0.198 3.973 4.170 0.002 0.000 0.245 290 I C 2.081 178.256 176.117 0.097 0.000 1.102 290 I CA 0.841 62.177 61.300 0.060 0.000 1.385 290 I CB -0.326 37.723 38.000 0.081 0.000 1.064 290 I HN 0.105 nan 8.210 nan 0.000 0.414 291 M N 0.016 119.668 119.600 0.087 0.000 2.229 291 M HA -0.159 4.322 4.480 0.002 0.000 0.264 291 M C 1.772 178.165 176.300 0.155 0.000 1.063 291 M CA 1.503 56.897 55.300 0.158 0.000 1.114 291 M CB -1.184 31.511 32.600 0.158 0.000 1.387 291 M HN 0.222 nan 8.290 nan 0.000 0.420 292 D N 0.343 120.788 120.400 0.076 0.000 2.084 292 D HA -0.092 4.550 4.640 0.002 0.000 0.194 292 D C 2.052 178.431 176.300 0.131 0.000 0.990 292 D CA 1.473 55.544 54.000 0.119 0.000 0.826 292 D CB 0.021 40.856 40.800 0.058 0.000 0.971 292 D HN 0.247 nan 8.370 nan 0.000 0.453 293 S N 0.691 116.442 115.700 0.084 0.000 2.359 293 S HA -0.137 4.334 4.470 0.002 0.000 0.224 293 S C 2.272 176.912 174.600 0.066 0.000 1.035 293 S CA 0.641 58.877 58.200 0.060 0.000 1.018 293 S CB -0.251 62.977 63.200 0.047 0.000 0.876 293 S HN 0.268 nan 8.310 nan 0.000 0.448 294 I N 0.136 120.772 120.570 0.110 0.000 2.127 294 I HA -0.238 3.933 4.170 0.002 0.000 0.241 294 I C 2.361 178.512 176.117 0.057 0.000 1.075 294 I CA 1.660 63.028 61.300 0.113 0.000 1.334 294 I CB -0.459 37.672 38.000 0.219 0.000 1.040 294 I HN 0.267 nan 8.210 nan 0.000 0.405 295 Y N 2.009 122.260 120.300 -0.083 0.000 2.089 295 Y HA -0.276 4.275 4.550 0.002 0.000 0.282 295 Y C 2.467 178.271 175.900 -0.159 0.000 1.139 295 Y CA 1.740 59.677 58.100 -0.271 0.000 1.123 295 Y CB -0.569 37.821 38.460 -0.117 0.000 0.980 295 Y HN 0.192 nan 8.280 nan 0.000 0.493 296 E N -0.228 119.879 120.200 -0.155 0.000 2.153 296 E HA -0.221 4.130 4.350 0.002 0.000 0.194 296 E C 1.874 178.372 176.600 -0.169 0.000 0.988 296 E CA 1.417 57.687 56.400 -0.218 0.000 0.811 296 E CB -0.286 29.373 29.700 -0.068 0.000 0.746 296 E HN 0.671 nan 8.360 nan 0.000 0.466 297 N N -0.352 118.292 118.700 -0.094 0.000 2.251 297 N HA -0.074 4.667 4.740 0.002 0.000 0.181 297 N C 1.597 177.050 175.510 -0.095 0.000 1.019 297 N CA 0.315 53.322 53.050 -0.072 0.000 0.862 297 N CB -0.057 38.417 38.487 -0.022 0.000 0.992 297 N HN 0.027 nan 8.380 nan 0.000 0.429 298 F N 1.922 121.735 119.950 -0.228 0.000 2.084 298 F HA -0.145 4.383 4.527 0.002 0.000 0.296 298 F C 2.696 178.347 175.800 -0.249 0.000 1.111 298 F CA 1.550 59.405 58.000 -0.241 0.000 1.224 298 F CB -0.661 38.160 39.000 -0.298 0.000 0.991 298 F HN -0.010 nan 8.300 nan 0.000 0.471 299 T N -1.401 112.982 114.554 -0.284 0.000 3.067 299 T HA 0.271 4.622 4.350 0.002 0.000 0.261 299 T C 1.195 175.720 174.700 -0.292 0.000 1.110 299 T CA 0.376 62.285 62.100 -0.319 0.000 1.113 299 T CB -0.666 67.990 68.868 -0.354 0.000 0.917 299 T HN 0.905 nan 8.240 nan 0.000 0.499 300 A N 0.366 123.024 122.820 -0.270 0.000 2.578 300 A HA -0.107 4.214 4.320 0.002 0.000 0.298 300 A C 0.129 177.617 177.584 -0.159 0.000 1.472 300 A CA 1.102 53.024 52.037 -0.192 0.000 0.734 300 A CB -2.283 16.615 19.000 -0.170 0.000 1.091 300 A HN 0.800 nan 8.150 nan 0.000 0.426 301 E N -1.275 118.817 120.200 -0.180 0.000 2.481 301 E HA 0.430 4.781 4.350 0.002 0.000 0.301 301 E C -1.247 175.298 176.600 -0.090 0.000 0.948 301 E CA -0.810 55.520 56.400 -0.116 0.000 0.804 301 E CB 0.855 30.498 29.700 -0.096 0.000 1.265 301 E HN 0.320 nan 8.360 nan 0.000 0.406 302 K N 3.091 123.476 120.400 -0.024 0.000 2.213 302 K HA 0.525 4.846 4.320 0.002 0.000 0.270 302 K C -0.459 176.183 176.600 0.070 0.000 1.002 302 K CA -0.394 55.912 56.287 0.032 0.000 0.868 302 K CB 0.804 33.318 32.500 0.024 0.000 1.093 302 K HN 0.450 nan 8.250 nan 0.000 0.454 303 I N -2.208 118.445 120.570 0.137 0.000 2.785 303 I HA 0.562 4.734 4.170 0.002 0.000 0.302 303 I C -0.642 175.542 176.117 0.112 0.000 1.069 303 I CA -0.620 60.762 61.300 0.136 0.000 1.045 303 I CB 2.678 40.803 38.000 0.209 0.000 1.236 303 I HN 0.229 nan 8.210 nan 0.000 0.429 304 S N 4.956 120.690 115.700 0.057 0.000 2.452 304 S HA 0.403 4.874 4.470 0.002 0.000 0.284 304 S C 1.377 175.964 174.600 -0.022 0.000 1.171 304 S CA -0.667 57.537 58.200 0.007 0.000 1.064 304 S CB 0.923 64.114 63.200 -0.016 0.000 0.967 304 S HN 0.531 nan 8.310 nan 0.000 0.484 305 I N 2.540 123.069 120.570 -0.067 0.000 2.163 305 I HA -0.148 4.023 4.170 0.002 0.000 0.243 305 I C 2.311 178.311 176.117 -0.196 0.000 1.085 305 I CA 1.393 62.629 61.300 -0.107 0.000 1.347 305 I CB -1.864 36.057 38.000 -0.131 0.000 1.044 305 I HN 0.495 nan 8.210 nan 0.000 0.408 306 S N 0.706 116.317 115.700 -0.149 0.000 2.351 306 S HA -0.212 4.259 4.470 0.002 0.000 0.220 306 S C 1.926 176.425 174.600 -0.167 0.000 1.035 306 S CA 1.439 59.545 58.200 -0.157 0.000 1.031 306 S CB -0.319 62.814 63.200 -0.113 0.000 0.928 306 S HN 0.367 nan 8.310 nan 0.000 0.433 307 E N 1.294 121.421 120.200 -0.121 0.000 2.110 307 E HA -0.029 4.322 4.350 0.002 0.000 0.193 307 E C 2.335 178.859 176.600 -0.126 0.000 0.988 307 E CA 0.891 57.229 56.400 -0.103 0.000 0.804 307 E CB -0.384 29.279 29.700 -0.061 0.000 0.745 307 E HN 0.331 nan 8.360 nan 0.000 0.458 308 S N -0.063 115.546 115.700 -0.151 0.000 2.356 308 S HA -0.050 4.421 4.470 0.002 0.000 0.223 308 S C 1.149 175.552 174.600 -0.329 0.000 1.032 308 S CA 0.454 58.552 58.200 -0.171 0.000 1.005 308 S CB -0.193 62.951 63.200 -0.092 0.000 0.867 308 S HN 0.159 nan 8.310 nan 0.000 0.449 312 I N 2.379 122.906 120.570 -0.072 0.000 2.315 312 I HA -0.205 3.966 4.170 0.002 0.000 0.248 312 I C 2.066 178.159 176.117 -0.040 0.000 1.117 312 I CA 1.403 62.684 61.300 -0.032 0.000 1.404 312 I CB -0.189 37.803 38.000 -0.014 0.000 1.071 312 I HN 0.145 nan 8.210 nan 0.000 0.419 313 K N 1.067 121.410 120.400 -0.094 0.000 2.057 313 K HA -0.150 4.171 4.320 0.002 0.000 0.207 313 K C 2.298 178.864 176.600 -0.056 0.000 1.049 313 K CA 1.570 57.797 56.287 -0.100 0.000 0.931 313 K CB -0.275 32.118 32.500 -0.178 0.000 0.714 313 K HN 0.309 nan 8.250 nan 0.000 0.440 314 A N 1.462 124.245 122.820 -0.061 0.000 1.933 314 A HA -0.221 4.101 4.320 0.002 0.000 0.218 314 A C 2.023 179.608 177.584 0.001 0.000 1.175 314 A CA 1.345 53.357 52.037 -0.042 0.000 0.628 314 A CB -0.378 18.592 19.000 -0.050 0.000 0.814 314 A HN 0.322 nan 8.150 nan 0.000 0.444 315 Q N -0.796 119.008 119.800 0.007 0.000 2.083 315 Q HA -0.062 4.279 4.340 0.002 0.000 0.198 315 Q C 1.924 177.948 176.000 0.041 0.000 0.969 315 Q CA 0.979 56.797 55.803 0.026 0.000 0.838 315 Q CB -0.205 28.547 28.738 0.023 0.000 0.900 315 Q HN 0.545 nan 8.270 nan 0.000 0.436 316 I N 0.854 121.452 120.570 0.048 0.000 2.286 316 I HA -0.252 3.919 4.170 0.002 0.000 0.248 316 I C 2.167 178.370 176.117 0.143 0.000 1.115 316 I CA 1.446 62.795 61.300 0.081 0.000 1.392 316 I CB -0.765 37.296 38.000 0.103 0.000 1.065 316 I HN 0.257 nan 8.210 nan 0.000 0.418 317 I N 0.419 121.082 120.570 0.155 0.000 2.202 317 I HA -0.280 3.891 4.170 0.002 0.000 0.242 317 I C 2.140 178.373 176.117 0.194 0.000 1.091 317 I CA 1.259 62.692 61.300 0.221 0.000 1.368 317 I CB -0.420 37.644 38.000 0.107 0.000 1.058 317 I HN 0.180 nan 8.210 nan 0.000 0.410 318 D N 0.802 121.291 120.400 0.149 0.000 2.144 318 D HA -0.175 4.466 4.640 0.002 0.000 0.199 318 D C 2.038 178.374 176.300 0.060 0.000 0.984 318 D CA 1.387 55.474 54.000 0.146 0.000 0.834 318 D CB -0.136 40.735 40.800 0.118 0.000 0.955 318 D HN 0.491 nan 8.370 nan 0.000 0.465 319 E N -0.547 119.664 120.200 0.019 0.000 2.140 319 E HA -0.016 4.335 4.350 0.002 0.000 0.191 319 E C 1.634 178.165 176.600 -0.116 0.000 0.973 319 E CA 0.369 56.749 56.400 -0.033 0.000 0.829 319 E CB 0.347 30.035 29.700 -0.019 0.000 0.781 319 E HN 0.105 nan 8.360 nan 0.000 0.466 320 L N -1.381 119.706 121.223 -0.228 0.000 2.467 320 L HA 0.140 4.481 4.340 0.002 0.000 0.213 320 L C 0.853 177.290 176.870 -0.722 0.000 1.053 320 L CA 0.937 55.429 54.840 -0.580 0.000 0.847 320 L CB 0.300 41.757 42.059 -1.003 0.000 1.075 320 L HN 0.033 nan 8.230 nan 0.000 0.479 321 F N -1.926 118.064 119.950 0.066 0.000 2.805 321 F HA 0.301 4.829 4.527 0.002 0.000 0.317 321 F C 1.987 177.840 175.800 0.087 0.000 1.146 321 F CA -0.038 58.008 58.000 0.076 0.000 1.265 321 F CB 0.047 39.081 39.000 0.057 0.000 0.992 321 F HN -0.143 nan 8.300 nan 0.000 0.511 322 S N 0.403 116.212 115.700 0.182 0.000 2.353 322 S HA -0.306 4.165 4.470 0.002 0.000 0.222 322 S C 2.151 176.801 174.600 0.083 0.000 1.035 322 S CA 1.863 60.150 58.200 0.146 0.000 1.025 322 S CB -0.417 62.799 63.200 0.026 0.000 0.902 322 S HN 0.534 nan 8.310 nan 0.000 0.440 323 Y N 1.861 122.150 120.300 -0.019 0.000 2.128 323 Y HA -0.177 4.374 4.550 0.002 0.000 0.284 323 Y C 2.257 178.113 175.900 -0.073 0.000 1.154 323 Y CA 2.473 60.547 58.100 -0.044 0.000 1.149 323 Y CB -0.520 37.939 38.460 -0.002 0.000 0.976 323 Y HN 0.368 nan 8.280 nan 0.000 0.505 324 E N -0.362 119.892 120.200 0.089 0.000 2.110 324 E HA -0.096 4.255 4.350 0.002 0.000 0.193 324 E C 0.993 177.421 176.600 -0.286 0.000 0.988 324 E CA 0.943 57.240 56.400 -0.172 0.000 0.804 324 E CB -0.390 29.194 29.700 -0.194 0.000 0.745 324 E HN 0.179 nan 8.360 nan 0.000 0.458 328 L N 1.815 122.923 121.223 -0.191 0.000 2.141 328 L HA 0.090 4.431 4.340 0.002 0.000 0.209 328 L C 2.449 179.286 176.870 -0.056 0.000 1.094 328 L CA 2.266 57.040 54.840 -0.109 0.000 0.763 328 L CB -0.969 41.018 42.059 -0.120 0.000 0.908 328 L HN 0.368 nan 8.230 nan 0.000 0.437 329 A N -1.766 121.027 122.820 -0.044 0.000 1.930 329 A HA -0.202 4.119 4.320 0.002 0.000 0.217 329 A C 2.639 180.213 177.584 -0.018 0.000 1.175 329 A CA 1.852 53.885 52.037 -0.007 0.000 0.627 329 A CB -0.739 18.290 19.000 0.048 0.000 0.815 329 A HN 0.381 nan 8.150 nan 0.000 0.443 330 S N -0.729 114.945 115.700 -0.044 0.000 2.356 330 S HA -0.216 4.255 4.470 0.002 0.000 0.223 330 S C 2.167 176.749 174.600 -0.030 0.000 1.032 330 S CA 1.721 59.894 58.200 -0.045 0.000 1.005 330 S CB -0.339 62.815 63.200 -0.078 0.000 0.867 330 S HN 0.687 nan 8.310 nan 0.000 0.449 331 Q N -0.006 119.775 119.800 -0.032 0.000 2.167 331 Q HA 0.039 4.380 4.340 0.002 0.000 0.202 331 Q C 2.096 178.100 176.000 0.007 0.000 0.970 331 Q CA 1.048 56.846 55.803 -0.008 0.000 0.855 331 Q CB -0.152 28.586 28.738 -0.001 0.000 0.911 331 Q HN 0.494 nan 8.270 nan 0.000 0.438 332 L N -1.216 120.010 121.223 0.005 0.000 2.270 332 L HA 0.051 4.392 4.340 0.002 0.000 0.210 332 L C 1.199 178.068 176.870 -0.002 0.000 1.104 332 L CA 0.633 55.480 54.840 0.011 0.000 0.804 332 L CB -0.001 42.068 42.059 0.017 0.000 0.937 332 L HN 0.460 nan 8.230 nan 0.000 0.450 333 G N 1.072 109.868 108.800 -0.007 0.000 2.132 333 G HA2 -0.253 3.708 3.960 0.002 0.000 0.228 333 G HA3 -0.253 3.708 3.960 0.002 0.000 0.228 333 G C 0.194 175.087 174.900 -0.011 0.000 1.000 333 G CA 0.410 45.505 45.100 -0.009 0.000 0.693 333 G HN 0.427 nan 8.290 nan 0.000 0.515 334 I N -2.489 118.075 120.570 -0.011 0.000 3.023 334 I HA 0.858 5.030 4.170 0.002 0.000 0.312 334 I C 0.587 176.707 176.117 0.004 0.000 1.056 334 I CA -0.967 60.326 61.300 -0.012 0.000 1.033 334 I CB 1.839 39.822 38.000 -0.027 0.000 1.233 334 I HN 0.110 nan 8.210 nan 0.000 0.462 335 S N 1.245 116.950 115.700 0.008 0.000 2.562 335 S HA 0.043 4.514 4.470 0.002 0.000 0.281 335 S C 0.689 175.325 174.600 0.060 0.000 1.333 335 S CA -0.033 58.188 58.200 0.036 0.000 1.052 335 S CB 0.137 63.352 63.200 0.024 0.000 0.884 335 S HN 0.716 nan 8.310 nan 0.000 0.506 336 Y N 3.910 124.191 120.300 -0.032 0.000 2.224 336 Y HA -0.170 4.381 4.550 0.002 0.000 0.289 336 Y C 1.632 177.522 175.900 -0.016 0.000 1.146 336 Y CA 2.338 60.419 58.100 -0.032 0.000 1.182 336 Y CB -0.315 38.122 38.460 -0.040 0.000 0.983 336 Y HN 0.754 nan 8.280 nan 0.000 0.524 337 D N 0.442 120.833 120.400 -0.014 0.000 2.104 337 D HA -0.211 4.430 4.640 0.002 0.000 0.194 337 D C 2.158 178.385 176.300 -0.121 0.000 0.994 337 D CA 1.690 55.630 54.000 -0.099 0.000 0.830 337 D CB -0.217 40.589 40.800 0.009 0.000 0.959 337 D HN 0.345 nan 8.370 nan 0.000 0.452 338 I N 0.454 120.985 120.570 -0.065 0.000 2.226 338 I HA -0.178 3.993 4.170 0.002 0.000 0.245 338 I C 2.453 178.542 176.117 -0.047 0.000 1.100 338 I CA 0.777 62.048 61.300 -0.047 0.000 1.374 338 I CB -0.833 37.146 38.000 -0.035 0.000 1.057 338 I HN 0.145 nan 8.210 nan 0.000 0.413 339 L N 0.297 121.470 121.223 -0.082 0.000 2.027 339 L HA -0.194 4.147 4.340 0.002 0.000 0.206 339 L C 2.859 179.678 176.870 -0.085 0.000 1.074 339 L CA 1.221 56.029 54.840 -0.054 0.000 0.745 339 L CB -0.345 41.673 42.059 -0.070 0.000 0.898 339 L HN 0.215 nan 8.230 nan 0.000 0.433 340 R N -0.011 120.317 120.500 -0.285 0.000 2.091 340 R HA -0.206 4.135 4.340 0.002 0.000 0.238 340 R C 1.731 177.939 176.300 -0.153 0.000 1.136 340 R CA 2.044 57.958 56.100 -0.310 0.000 0.959 340 R CB -0.155 29.813 30.300 -0.554 0.000 0.856 340 R HN 0.397 nan 8.270 nan 0.000 0.437 341 D N -0.592 119.745 120.400 -0.106 0.000 2.144 341 D HA -0.183 4.458 4.640 0.002 0.000 0.200 341 D C 1.540 177.840 176.300 -0.001 0.000 0.978 341 D CA 0.986 54.955 54.000 -0.053 0.000 0.833 341 D CB -0.375 40.406 40.800 -0.032 0.000 0.961 341 D HN 0.304 nan 8.370 nan 0.000 0.470 342 Y N 1.415 121.662 120.300 -0.087 0.000 2.163 342 Y HA -0.106 4.445 4.550 0.002 0.000 0.288 342 Y C 2.106 177.968 175.900 -0.064 0.000 1.136 342 Y CA 1.235 59.301 58.100 -0.056 0.000 1.147 342 Y CB -0.419 38.024 38.460 -0.029 0.000 0.987 342 Y HN -0.110 nan 8.280 nan 0.000 0.509 343 L N -0.821 120.344 121.223 -0.097 0.000 2.201 343 L HA -0.190 4.151 4.340 0.002 0.000 0.212 343 L C 2.266 179.004 176.870 -0.220 0.000 1.105 343 L CA 1.439 56.160 54.840 -0.199 0.000 0.775 343 L CB -0.535 41.460 42.059 -0.106 0.000 0.913 343 L HN 0.117 nan 8.230 nan 0.000 0.440 344 S N -1.706 113.888 115.700 -0.177 0.000 2.496 344 S HA -0.117 4.354 4.470 0.002 0.000 0.224 344 S C 1.903 176.387 174.600 -0.194 0.000 0.996 344 S CA 0.694 58.787 58.200 -0.178 0.000 0.927 344 S CB -0.182 62.937 63.200 -0.135 0.000 0.774 344 S HN 0.552 nan 8.310 nan 0.000 0.524 345 c N 1.978 120.459 118.600 -0.199 0.000 2.507 345 c HA 0.378 4.950 4.570 0.002 0.000 0.280 345 c C 1.194 175.161 174.090 -0.205 0.000 1.345 345 c CA -0.799 55.422 56.329 -0.179 0.000 1.736 345 c CB -1.168 41.264 42.510 -0.130 0.000 2.060 345 c HN 0.611 nan 8.230 nan 0.000 0.498 346 I N 0.775 121.168 120.570 -0.296 0.000 2.752 346 I HA 0.217 4.388 4.170 0.002 0.000 0.287 346 I C -0.063 175.984 176.117 -0.116 0.000 1.188 346 I CA 0.870 62.028 61.300 -0.237 0.000 1.427 346 I CB 0.200 37.999 38.000 -0.335 0.000 1.365 346 I HN 0.133 nan 8.210 nan 0.000 0.585 347 D N 4.989 125.373 120.400 -0.026 0.000 2.525 347 D HA 0.251 4.892 4.640 0.002 0.000 0.229 347 D C -0.241 176.170 176.300 0.184 0.000 1.202 347 D CA 0.233 54.283 54.000 0.083 0.000 0.828 347 D CB 0.731 41.561 40.800 0.050 0.000 1.008 347 D HN 0.511 nan 8.370 nan 0.000 0.493 348 V N -2.742 117.258 119.914 0.143 0.000 3.040 348 V HA 0.360 4.481 4.120 0.002 0.000 0.312 348 V C 0.972 177.080 176.094 0.023 0.000 1.115 348 V CA -0.912 61.439 62.300 0.086 0.000 0.998 348 V CB 1.486 33.349 31.823 0.067 0.000 1.042 348 V HN -0.156 nan 8.190 nan 0.000 0.433 349 Y N 1.810 121.968 120.300 -0.236 0.000 2.256 349 Y HA 0.072 4.623 4.550 0.002 0.000 0.288 349 Y C 1.424 177.251 175.900 -0.122 0.000 1.155 349 Y CA 2.015 59.984 58.100 -0.217 0.000 1.203 349 Y CB 0.113 38.434 38.460 -0.232 0.000 0.980 349 Y HN 0.857 nan 8.280 nan 0.000 0.530 350 R N -2.580 117.886 120.500 -0.056 0.000 2.828 350 R HA 0.365 4.706 4.340 0.002 0.000 0.280 350 R C -1.074 175.021 176.300 -0.342 0.000 1.020 350 R CA -0.474 55.499 56.100 -0.212 0.000 0.855 350 R CB 0.445 30.574 30.300 -0.286 0.000 1.278 350 R HN -0.087 nan 8.270 nan 0.000 0.495 351 T N -1.175 113.195 114.554 -0.308 0.000 2.927 351 T HA 0.635 4.986 4.350 0.002 0.000 0.281 351 T C -0.583 173.851 174.700 -0.444 0.000 0.998 351 T CA -0.544 61.432 62.100 -0.207 0.000 1.019 351 T CB 0.847 69.767 68.868 0.086 0.000 1.061 351 T HN 0.428 nan 8.240 nan 0.000 0.518 352 Y N -0.783 119.560 120.300 0.072 0.000 2.576 352 Y HA 0.564 5.116 4.550 0.002 0.000 0.346 352 Y C 0.861 176.793 175.900 0.054 0.000 1.018 352 Y CA -0.842 57.282 58.100 0.039 0.000 1.050 352 Y CB 1.674 40.144 38.460 0.016 0.000 1.280 352 Y HN 1.089 nan 8.280 nan 0.000 0.474 353 A N 2.079 125.013 122.820 0.190 0.000 2.799 353 A HA -0.334 3.987 4.320 0.002 0.000 0.287 353 A C 0.708 178.353 177.584 0.101 0.000 1.484 353 A CA 1.066 53.171 52.037 0.113 0.000 0.813 353 A CB -2.285 16.772 19.000 0.096 0.000 1.009 353 A HN 1.012 nan 8.150 nan 0.000 0.545 354 N N -1.951 116.844 118.700 0.158 0.000 2.708 354 N HA -0.195 4.547 4.740 0.002 0.000 0.251 354 N C -0.101 175.407 175.510 -0.003 0.000 1.123 354 N CA 1.896 55.041 53.050 0.158 0.000 0.739 354 N CB -1.380 37.136 38.487 0.048 0.000 1.113 354 N HN 0.980 nan 8.380 nan 0.000 0.561 355 Q N 0.134 119.989 119.800 0.092 0.000 2.296 355 Q HA 0.253 4.594 4.340 0.002 0.000 0.262 355 Q C 0.476 176.518 176.000 0.070 0.000 0.981 355 Q CA -0.069 55.764 55.803 0.050 0.000 0.905 355 Q CB 1.015 29.808 28.738 0.091 0.000 1.186 355 Q HN 0.209 nan 8.270 nan 0.000 0.399 356 I N 2.328 122.891 120.570 -0.013 0.000 2.499 356 I HA 0.133 4.304 4.170 0.002 0.000 0.296 356 I C 0.223 176.423 176.117 0.140 0.000 0.992 356 I CA -0.699 60.634 61.300 0.054 0.000 1.297 356 I CB 1.339 39.276 38.000 -0.105 0.000 1.410 356 I HN 0.318 nan 8.210 nan 0.000 0.507 357 V N 7.245 127.319 119.914 0.267 0.000 2.338 357 V HA 0.111 4.232 4.120 0.002 0.000 0.255 357 V C 1.529 177.730 176.094 0.179 0.000 1.082 357 V CA -0.362 62.044 62.300 0.177 0.000 0.951 357 V CB -0.165 31.722 31.823 0.107 0.000 1.102 357 V HN 0.720 nan 8.190 nan 0.000 0.489 358 K N 2.865 123.324 120.400 0.099 0.000 2.113 358 K HA -0.194 4.127 4.320 0.002 0.000 0.208 358 K C 1.871 178.511 176.600 0.067 0.000 1.047 358 K CA 1.659 57.986 56.287 0.067 0.000 0.928 358 K CB 0.088 32.608 32.500 0.033 0.000 0.716 358 K HN 0.770 nan 8.250 nan 0.000 0.446 359 E N 0.151 120.387 120.200 0.060 0.000 2.409 359 E HA -0.152 4.199 4.350 0.002 0.000 0.198 359 E C 1.445 178.076 176.600 0.052 0.000 1.024 359 E CA 0.872 57.297 56.400 0.042 0.000 0.861 359 E CB -0.409 29.307 29.700 0.026 0.000 0.788 359 E HN 0.309 nan 8.360 nan 0.000 0.521 360 c N 0.621 119.281 118.600 0.100 0.000 3.038 360 c HA 0.170 4.741 4.570 0.002 0.000 0.279 360 c C 1.188 175.425 174.090 0.246 0.000 1.276 360 c CA -0.050 56.363 56.329 0.139 0.000 1.697 360 c CB -0.492 42.055 42.510 0.061 0.000 2.032 360 c HN 0.337 nan 8.230 nan 0.000 0.636 361 D N 1.126 121.629 120.400 0.171 0.000 2.571 361 D HA 0.039 4.680 4.640 0.002 0.000 0.239 361 D C 1.203 177.514 176.300 0.018 0.000 1.267 361 D CA 0.127 54.167 54.000 0.066 0.000 0.823 361 D CB -0.065 40.720 40.800 -0.026 0.000 1.056 361 D HN 0.196 nan 8.370 nan 0.000 0.494 362 K N 0.386 120.803 120.400 0.029 0.000 2.971 362 K HA -0.308 4.013 4.320 0.002 0.000 0.247 362 K C 0.037 176.636 176.600 -0.003 0.000 0.885 362 K CA 1.440 57.733 56.287 0.010 0.000 0.651 362 K CB -3.283 29.219 32.500 0.004 0.000 1.321 362 K HN 0.279 nan 8.250 nan 0.000 0.484 363 T N -1.835 112.716 114.554 -0.005 0.000 4.210 363 T HA -0.296 4.055 4.350 0.002 0.000 0.329 363 T C 0.731 175.413 174.700 -0.031 0.000 0.793 363 T CA 2.006 64.096 62.100 -0.017 0.000 1.935 363 T CB -2.087 66.774 68.868 -0.011 0.000 1.918 363 T HN 0.949 nan 8.240 nan 0.000 0.875 364 N N -0.252 118.424 118.700 -0.041 0.000 2.719 364 N HA 0.273 5.014 4.740 0.002 0.000 0.133 364 N C 0.997 176.466 175.510 -0.069 0.000 1.637 364 N CA -0.229 52.792 53.050 -0.048 0.000 1.184 364 N CB 0.194 38.661 38.487 -0.034 0.000 0.995 364 N HN 0.148 nan 8.380 nan 0.000 0.423 365 E N 0.875 121.036 120.200 -0.066 0.000 2.095 365 E HA -0.237 4.114 4.350 0.002 0.000 0.212 365 E C 1.893 178.425 176.600 -0.113 0.000 1.044 365 E CA 2.136 58.489 56.400 -0.077 0.000 0.857 365 E CB -0.379 29.282 29.700 -0.064 0.000 0.764 365 E HN 0.425 nan 8.360 nan 0.000 0.462 366 I N 0.707 121.178 120.570 -0.166 0.000 2.315 366 I HA -0.228 3.943 4.170 0.002 0.000 0.248 366 I C 2.264 178.230 176.117 -0.252 0.000 1.117 366 I CA 1.075 62.226 61.300 -0.248 0.000 1.404 366 I CB -0.253 37.473 38.000 -0.457 0.000 1.071 366 I HN 0.141 nan 8.210 nan 0.000 0.419 367 E N 0.925 120.997 120.200 -0.214 0.000 2.047 367 E HA -0.249 4.102 4.350 0.002 0.000 0.191 367 E C 2.044 178.553 176.600 -0.151 0.000 0.987 367 E CA 1.553 57.835 56.400 -0.198 0.000 0.799 367 E CB -0.068 29.549 29.700 -0.138 0.000 0.752 367 E HN 0.622 nan 8.360 nan 0.000 0.449 368 E N 0.826 120.960 120.200 -0.110 0.000 2.152 368 E HA -0.101 4.251 4.350 0.002 0.000 0.192 368 E C 2.048 178.603 176.600 -0.075 0.000 0.983 368 E CA 0.943 57.295 56.400 -0.080 0.000 0.818 368 E CB -0.143 29.522 29.700 -0.059 0.000 0.758 368 E HN 0.160 nan 8.360 nan 0.000 0.467 369 A N 1.342 124.112 122.820 -0.084 0.000 1.969 369 A HA -0.086 4.235 4.320 0.002 0.000 0.218 369 A C 2.321 179.868 177.584 -0.062 0.000 1.169 369 A CA 1.657 53.657 52.037 -0.062 0.000 0.635 369 A CB -0.747 18.217 19.000 -0.060 0.000 0.810 369 A HN 0.270 nan 8.150 nan 0.000 0.445 370 T N -0.011 114.475 114.554 -0.114 0.000 2.857 370 T HA -0.061 4.290 4.350 0.002 0.000 0.266 370 T C 1.820 176.467 174.700 -0.088 0.000 1.048 370 T CA 1.424 63.445 62.100 -0.131 0.000 1.139 370 T CB -0.130 68.530 68.868 -0.346 0.000 0.874 370 T HN 0.537 nan 8.240 nan 0.000 0.455 371 K N 0.924 121.273 120.400 -0.086 0.000 2.211 371 K HA -0.000 4.321 4.320 0.002 0.000 0.203 371 K C 2.445 179.028 176.600 -0.028 0.000 1.050 371 K CA 0.897 57.150 56.287 -0.055 0.000 0.945 371 K CB -0.045 32.423 32.500 -0.053 0.000 0.732 371 K HN 0.286 nan 8.250 nan 0.000 0.451 372 R N 0.431 120.916 120.500 -0.025 0.000 2.100 372 R HA 0.059 4.400 4.340 0.002 0.000 0.220 372 R C 0.369 176.673 176.300 0.006 0.000 1.091 372 R CA 0.668 56.763 56.100 -0.009 0.000 0.986 372 R CB 0.140 30.434 30.300 -0.011 0.000 0.888 372 R HN 0.134 nan 8.270 nan 0.000 0.444 373 N N 1.082 119.788 118.700 0.010 0.000 2.813 373 N HA 0.124 4.865 4.740 0.002 0.000 0.282 373 N C -2.265 173.277 175.510 0.053 0.000 1.748 373 N CA -1.018 52.052 53.050 0.034 0.000 0.860 373 N CB 1.491 39.999 38.487 0.035 0.000 1.204 373 N HN 0.039 nan 8.380 nan 0.000 0.490 374 P HA -0.180 nan 4.420 nan 0.000 0.218 374 P C 1.236 178.608 177.300 0.119 0.000 1.148 374 P CA 1.260 64.402 63.100 0.070 0.000 0.822 374 P CB 0.707 32.436 31.700 0.049 0.000 0.784 375 E N 1.123 121.394 120.200 0.119 0.000 2.085 375 E HA -0.173 4.178 4.350 0.002 0.000 0.194 375 E C 2.102 178.798 176.600 0.160 0.000 0.994 375 E CA 1.797 58.291 56.400 0.156 0.000 0.801 375 E CB -1.201 28.590 29.700 0.150 0.000 0.743 375 E HN 0.165 nan 8.360 nan 0.000 0.453 376 A N -0.718 122.180 122.820 0.131 0.000 1.972 376 A HA -0.158 4.163 4.320 0.002 0.000 0.219 376 A C 2.189 179.843 177.584 0.117 0.000 1.169 376 A CA 1.487 53.591 52.037 0.112 0.000 0.635 376 A CB -0.902 18.145 19.000 0.078 0.000 0.810 376 A HN 0.531 nan 8.150 nan 0.000 0.446 377 Y N 0.958 121.271 120.300 0.022 0.000 2.263 377 Y HA -0.112 4.439 4.550 0.002 0.000 0.292 377 Y C 2.611 178.513 175.900 0.004 0.000 1.130 377 Y CA 2.030 60.134 58.100 0.007 0.000 1.179 377 Y CB -0.325 38.125 38.460 -0.017 0.000 0.998 377 Y HN 0.318 nan 8.280 nan 0.000 0.532 378 T N 0.429 115.032 114.554 0.082 0.000 2.746 378 T HA -0.157 4.195 4.350 0.002 0.000 0.267 378 T C 1.859 176.492 174.700 -0.112 0.000 1.039 378 T CA 1.371 63.419 62.100 -0.088 0.000 1.142 378 T CB -0.101 68.649 68.868 -0.197 0.000 0.866 378 T HN 0.103 nan 8.240 nan 0.000 0.444 379 K N 0.919 121.351 120.400 0.054 0.000 2.097 379 K HA 0.057 4.378 4.320 0.002 0.000 0.206 379 K C 2.222 178.915 176.600 0.155 0.000 1.049 379 K CA 0.725 57.115 56.287 0.171 0.000 0.933 379 K CB -0.795 31.847 32.500 0.236 0.000 0.717 379 K HN 0.262 nan 8.250 nan 0.000 0.442 380 L N 1.960 123.188 121.223 0.008 0.000 2.083 380 L HA -0.179 4.162 4.340 0.002 0.000 0.209 380 L C 2.101 178.917 176.870 -0.090 0.000 1.083 380 L CA 1.594 56.411 54.840 -0.038 0.000 0.752 380 L CB -0.327 41.589 42.059 -0.238 0.000 0.899 380 L HN 0.183 nan 8.230 nan 0.000 0.433 381 Q N -0.971 118.686 119.800 -0.238 0.000 2.234 381 Q HA -0.253 4.088 4.340 0.002 0.000 0.206 381 Q C 2.090 178.009 176.000 -0.136 0.000 0.980 381 Q CA 1.718 57.381 55.803 -0.234 0.000 0.869 381 Q CB -0.170 28.409 28.738 -0.266 0.000 0.912 381 Q HN 0.690 nan 8.270 nan 0.000 0.436 382 Q N -0.902 118.850 119.800 -0.079 0.000 2.230 382 Q HA -0.126 4.215 4.340 0.002 0.000 0.202 382 Q C 0.937 176.832 176.000 -0.175 0.000 0.963 382 Q CA 0.968 56.700 55.803 -0.119 0.000 0.866 382 Q CB 0.170 28.825 28.738 -0.137 0.000 0.931 382 Q HN 0.510 nan 8.270 nan 0.000 0.452 383 Y N -0.569 119.701 120.300 -0.049 0.000 2.510 383 Y HA 0.089 4.640 4.550 0.002 0.000 0.273 383 Y C 1.990 177.775 175.900 -0.191 0.000 1.119 383 Y CA 0.178 58.211 58.100 -0.111 0.000 1.286 383 Y CB 0.127 38.511 38.460 -0.128 0.000 1.061 383 Y HN 0.046 nan 8.280 nan 0.000 0.542 384 M N 0.619 120.202 119.600 -0.028 0.000 2.106 384 M HA -0.174 4.307 4.480 0.002 0.000 0.259 384 M C -0.597 175.638 176.300 -0.108 0.000 1.068 384 M CA 1.972 57.214 55.300 -0.097 0.000 1.100 384 M CB -1.421 31.108 32.600 -0.118 0.000 1.351 384 M HN 0.050 nan 8.290 nan 0.000 0.404 385 P HA -0.088 nan 4.420 nan 0.000 0.220 385 P C 0.987 178.222 177.300 -0.108 0.000 1.148 385 P CA 1.895 65.035 63.100 0.066 0.000 0.803 385 P CB -0.172 31.735 31.700 0.345 0.000 0.782 386 A N 0.085 122.758 122.820 -0.245 0.000 1.930 386 A HA -0.091 4.231 4.320 0.002 0.000 0.217 386 A C 2.442 179.644 177.584 -0.636 0.000 1.175 386 A CA 1.589 53.197 52.037 -0.714 0.000 0.627 386 A CB -1.574 17.050 19.000 -0.625 0.000 0.815 386 A HN 0.057 nan 8.150 nan 0.000 0.443 387 V N -1.594 118.041 119.914 -0.465 0.000 2.295 387 V HA -0.260 3.861 4.120 0.002 0.000 0.246 387 V C 2.327 178.286 176.094 -0.226 0.000 1.049 387 V CA 2.082 64.209 62.300 -0.288 0.000 1.024 387 V CB -1.012 30.672 31.823 -0.232 0.000 0.648 387 V HN 0.656 nan 8.190 nan 0.000 0.447 388 Y N 1.036 121.102 120.300 -0.391 0.000 2.114 388 Y HA 0.081 4.632 4.550 0.002 0.000 0.284 388 Y C 1.817 177.525 175.900 -0.321 0.000 1.143 388 Y CA 0.462 58.287 58.100 -0.458 0.000 1.135 388 Y CB -0.767 37.137 38.460 -0.926 0.000 0.980 388 Y HN 0.229 nan 8.280 nan 0.000 0.499 392 Y N 1.335 121.645 120.300 0.016 0.000 2.186 392 Y HA 0.115 4.666 4.550 0.002 0.000 0.286 392 Y C 2.315 178.346 175.900 0.218 0.000 1.109 392 Y CA 2.234 60.413 58.100 0.131 0.000 1.099 392 Y CB 0.048 38.570 38.460 0.103 0.000 1.030 392 Y HN 0.379 nan 8.280 nan 0.000 0.495 393 E N -0.145 120.217 120.200 0.269 0.000 2.085 393 E HA -0.213 4.138 4.350 0.002 0.000 0.194 393 E C 1.038 177.736 176.600 0.163 0.000 0.994 393 E CA 1.538 58.036 56.400 0.164 0.000 0.801 393 E CB -0.084 29.772 29.700 0.261 0.000 0.743 393 E HN 0.520 nan 8.360 nan 0.000 0.453 394 D N -1.187 119.354 120.400 0.234 0.000 2.349 394 D HA 0.060 4.701 4.640 0.002 0.000 0.214 394 D C 0.890 177.418 176.300 0.380 0.000 1.063 394 D CA 0.480 54.688 54.000 0.346 0.000 0.847 394 D CB 0.784 41.722 40.800 0.230 0.000 0.933 394 D HN 0.066 nan 8.370 nan 0.000 0.513 395 T N -0.829 113.915 114.554 0.317 0.000 3.361 395 T HA 0.039 4.390 4.350 0.002 0.000 0.241 395 T C 1.337 176.228 174.700 0.318 0.000 0.998 395 T CA -0.381 61.901 62.100 0.303 0.000 1.215 395 T CB -0.274 68.721 68.868 0.213 0.000 1.196 395 T HN -0.082 nan 8.240 nan 0.000 0.376 396 F N 2.494 122.479 119.950 0.059 0.000 2.161 396 F HA 0.098 4.626 4.527 0.002 0.000 0.300 396 F C 1.860 177.620 175.800 -0.066 0.000 1.089 396 F CA 0.979 58.978 58.000 -0.002 0.000 1.282 396 F CB -0.660 38.305 39.000 -0.059 0.000 1.010 396 F HN 0.042 nan 8.300 nan 0.000 0.485 397 L N -1.335 119.729 121.223 -0.265 0.000 2.353 397 L HA -0.219 4.122 4.340 0.002 0.000 0.220 397 L C 1.622 178.219 176.870 -0.455 0.000 1.133 397 L CA 0.970 55.535 54.840 -0.458 0.000 0.798 397 L CB -0.705 41.026 42.059 -0.546 0.000 0.922 397 L HN 0.100 nan 8.230 nan 0.000 0.445 398 F N -1.192 118.714 119.950 -0.073 0.000 2.727 398 F HA 0.113 4.641 4.527 0.002 0.000 0.302 398 F C 2.252 178.048 175.800 -0.007 0.000 1.097 398 F CA 0.024 58.020 58.000 -0.006 0.000 1.330 398 F CB 0.035 39.050 39.000 0.026 0.000 1.084 398 F HN -0.124 nan 8.300 nan 0.000 0.578 399 R N -1.430 119.087 120.500 0.028 0.000 2.164 399 R HA 0.058 4.399 4.340 0.002 0.000 0.198 399 R C -0.098 176.208 176.300 0.011 0.000 1.028 399 R CA 0.134 56.255 56.100 0.035 0.000 1.083 399 R CB -0.077 30.256 30.300 0.054 0.000 1.026 399 R HN 0.054 nan 8.270 nan 0.000 0.514 400 Y N 2.976 123.051 120.300 -0.374 0.000 2.585 400 Y HA 0.146 4.697 4.550 0.002 0.000 0.354 400 Y C 0.061 175.857 175.900 -0.174 0.000 1.024 400 Y CA -0.701 57.252 58.100 -0.244 0.000 1.321 400 Y CB 0.152 38.324 38.460 -0.479 0.000 1.151 400 Y HN -0.034 nan 8.280 nan 0.000 0.525 401 N N 4.688 123.085 118.700 -0.505 0.000 2.295 401 N HA 0.032 4.773 4.740 0.002 0.000 0.221 401 N C 0.032 175.062 175.510 -0.800 0.000 1.129 401 N CA -0.004 52.771 53.050 -0.459 0.000 0.836 401 N CB 0.101 38.620 38.487 0.054 0.000 1.040 401 N HN 0.540 nan 8.380 nan 0.000 0.494 402 R N 1.409 121.126 120.500 -1.305 0.000 2.316 402 R HA 0.056 4.397 4.340 0.002 0.000 0.314 402 R C -0.155 176.012 176.300 -0.222 0.000 1.069 402 R CA -0.477 55.178 56.100 -0.741 0.000 0.959 402 R CB 0.141 30.090 30.300 -0.586 0.000 0.987 402 R HN -0.024 nan 8.270 nan 0.000 0.446 403 L N 6.210 127.400 121.223 -0.055 0.000 3.677 403 L HA -0.217 4.124 4.340 0.002 0.000 0.593 403 L C 0.862 177.696 176.870 -0.060 0.000 1.057 403 L CA 0.873 55.688 54.840 -0.042 0.000 0.993 403 L CB -0.513 41.574 42.059 0.046 0.000 1.143 403 L HN 0.845 nan 8.230 nan 0.000 0.745 404 I N -0.675 119.849 120.570 -0.077 0.000 3.083 404 I HA -0.118 4.054 4.170 0.002 0.000 0.273 404 I C 1.837 177.962 176.117 0.014 0.000 1.297 404 I CA 1.136 62.429 61.300 -0.012 0.000 1.452 404 I CB -0.274 37.753 38.000 0.044 0.000 1.078 404 I HN 0.757 nan 8.210 nan 0.000 0.484 405 S N 1.619 117.272 115.700 -0.078 0.000 2.474 405 S HA -0.004 4.467 4.470 0.002 0.000 0.235 405 S C 1.745 176.361 174.600 0.027 0.000 0.997 405 S CA 0.868 59.028 58.200 -0.066 0.000 0.949 405 S CB -0.753 62.374 63.200 -0.122 0.000 0.766 405 S HN 0.651 nan 8.310 nan 0.000 0.517 406 I N 1.728 122.310 120.570 0.019 0.000 3.226 406 I HA 0.032 4.203 4.170 0.002 0.000 0.277 406 I C 0.524 176.703 176.117 0.104 0.000 1.243 406 I CA 0.225 61.551 61.300 0.044 0.000 1.459 406 I CB -0.354 37.655 38.000 0.015 0.000 1.093 406 I HN 0.264 nan 8.210 nan 0.000 0.453 407 N N 3.021 121.783 118.700 0.103 0.000 2.971 407 N HA 0.069 4.810 4.740 0.002 0.000 0.294 407 N C -0.067 175.471 175.510 0.047 0.000 1.210 407 N CA 0.172 53.253 53.050 0.052 0.000 1.157 407 N CB 0.228 38.708 38.487 -0.012 0.000 1.450 407 N HN 0.242 nan 8.380 nan 0.000 0.527 408 E N 0.279 120.537 120.200 0.097 0.000 2.359 408 E HA 0.315 4.666 4.350 0.002 0.000 0.266 408 E C -0.797 175.875 176.600 0.121 0.000 0.920 408 E CA -0.832 55.625 56.400 0.094 0.000 0.788 408 E CB 1.643 31.434 29.700 0.151 0.000 1.279 408 E HN -0.109 nan 8.360 nan 0.000 0.438 409 V N 2.658 122.611 119.914 0.064 0.000 2.529 409 V HA 0.355 4.476 4.120 0.002 0.000 0.292 409 V C 1.380 177.462 176.094 -0.019 0.000 1.028 409 V CA 1.685 63.977 62.300 -0.014 0.000 1.074 409 V CB 0.356 32.049 31.823 -0.217 0.000 0.958 409 V HN 0.950 nan 8.190 nan 0.000 0.481 410 G N 3.702 112.525 108.800 0.037 0.000 2.175 410 G HA2 -0.227 3.734 3.960 0.002 0.000 0.244 410 G HA3 -0.227 3.734 3.960 0.002 0.000 0.244 410 G C 0.337 175.380 174.900 0.238 0.000 0.982 410 G CA 0.146 45.284 45.100 0.064 0.000 0.641 410 G HN 0.737 nan 8.290 nan 0.000 0.527 411 S N -0.004 115.900 115.700 0.340 0.000 2.634 411 S HA 0.555 5.027 4.470 0.002 0.000 0.261 411 S C -0.296 174.522 174.600 0.363 0.000 1.271 411 S CA 0.133 58.570 58.200 0.395 0.000 0.985 411 S CB 1.668 65.098 63.200 0.383 0.000 0.968 411 S HN 0.399 nan 8.310 nan 0.000 0.568 412 D N 0.507 121.044 120.400 0.228 0.000 2.323 412 D HA 0.198 4.839 4.640 0.002 0.000 0.242 412 D C 0.336 176.736 176.300 0.167 0.000 1.347 412 D CA -0.355 53.717 54.000 0.120 0.000 0.988 412 D CB 0.382 41.150 40.800 -0.054 0.000 1.314 412 D HN 0.362 nan 8.370 nan 0.000 0.564 413 L N 2.552 123.966 121.223 0.319 0.000 2.642 413 L HA -0.011 4.330 4.340 0.002 0.000 0.236 413 L C 2.147 179.080 176.870 0.106 0.000 1.169 413 L CA 0.599 55.587 54.840 0.247 0.000 0.851 413 L CB -0.032 42.227 42.059 0.333 0.000 0.968 413 L HN 0.183 nan 8.230 nan 0.000 0.453 414 R N -1.244 119.272 120.500 0.026 0.000 2.276 414 R HA 0.003 4.344 4.340 0.002 0.000 0.203 414 R C -0.326 175.792 176.300 -0.304 0.000 1.017 414 R CA 0.374 56.377 56.100 -0.161 0.000 1.010 414 R CB 0.101 30.246 30.300 -0.258 0.000 0.900 414 R HN 0.203 nan 8.270 nan 0.000 0.469 415 Y N -1.348 118.848 120.300 -0.173 0.000 2.341 415 Y HA 0.093 4.644 4.550 0.002 0.000 0.337 415 Y C 0.440 176.302 175.900 -0.063 0.000 1.014 415 Y CA -0.841 57.136 58.100 -0.205 0.000 1.111 415 Y CB 1.062 39.208 38.460 -0.524 0.000 1.194 415 Y HN -0.102 nan 8.280 nan 0.000 0.462 416 Y N 2.580 122.886 120.300 0.010 0.000 2.559 416 Y HA 0.261 4.812 4.550 0.002 0.000 0.279 416 Y C 0.044 175.921 175.900 -0.037 0.000 1.117 416 Y CA 0.317 58.419 58.100 0.004 0.000 1.263 416 Y CB 0.732 39.197 38.460 0.008 0.000 1.230 416 Y HN 0.542 nan 8.280 nan 0.000 0.528 417 K N -0.445 119.957 120.400 0.005 0.000 2.533 417 K HA 0.542 4.863 4.320 0.002 0.000 0.284 417 K C -2.214 174.354 176.600 -0.055 0.000 1.025 417 K CA -1.043 55.168 56.287 -0.127 0.000 0.900 417 K CB 1.949 34.380 32.500 -0.116 0.000 1.519 417 K HN -0.009 nan 8.250 nan 0.000 0.432 418 I N 1.123 121.624 120.570 -0.116 0.000 2.752 418 I HA 0.241 4.412 4.170 0.002 0.000 0.295 418 I C -0.893 175.172 176.117 -0.087 0.000 1.219 418 I CA -0.057 61.203 61.300 -0.066 0.000 1.030 418 I CB 2.491 40.441 38.000 -0.084 0.000 1.259 418 I HN 0.871 nan 8.210 nan 0.000 0.423 419 S N 5.901 121.584 115.700 -0.028 0.000 2.603 419 S HA 0.459 4.930 4.470 0.002 0.000 0.268 419 S C -2.115 172.453 174.600 -0.053 0.000 1.317 419 S CA -0.738 57.444 58.200 -0.030 0.000 1.012 419 S CB 0.830 64.041 63.200 0.019 0.000 0.926 419 S HN 0.524 nan 8.310 nan 0.000 0.539 420 P HA -0.046 nan 4.420 nan 0.000 0.219 420 P C 0.343 177.428 177.300 -0.358 0.000 1.146 420 P CA 1.188 64.167 63.100 -0.201 0.000 0.808 420 P CB -0.124 31.519 31.700 -0.095 0.000 0.779 421 D N -1.162 119.204 120.400 -0.057 0.000 2.149 421 D HA -0.179 4.462 4.640 0.002 0.000 0.198 421 D C 2.079 178.441 176.300 0.104 0.000 0.990 421 D CA 0.981 55.044 54.000 0.106 0.000 0.839 421 D CB -0.435 40.449 40.800 0.140 0.000 0.948 421 D HN 0.140 nan 8.370 nan 0.000 0.460 422 Q N -0.810 119.047 119.800 0.095 0.000 2.245 422 Q HA -0.051 4.290 4.340 0.002 0.000 0.201 422 Q C 1.829 177.962 176.000 0.221 0.000 0.955 422 Q CA 0.433 56.335 55.803 0.165 0.000 0.870 422 Q CB -0.161 28.680 28.738 0.171 0.000 0.945 422 Q HN 0.370 nan 8.270 nan 0.000 0.461 423 F N 1.110 121.050 119.950 -0.017 0.000 2.163 423 F HA -0.167 4.361 4.527 0.002 0.000 0.297 423 F C 2.129 177.954 175.800 0.041 0.000 1.094 423 F CA 1.305 59.306 58.000 0.000 0.000 1.290 423 F CB -0.089 38.839 39.000 -0.120 0.000 1.017 423 F HN 0.155 nan 8.300 nan 0.000 0.483 424 H N -0.409 118.749 119.070 0.148 0.000 2.319 424 H HA -0.122 4.435 4.556 0.002 0.000 0.299 424 H C 2.620 177.873 175.328 -0.125 0.000 1.092 424 H CA 1.904 57.996 56.048 0.073 0.000 1.302 424 H CB -1.070 28.858 29.762 0.277 0.000 1.373 424 H HN 0.202 nan 8.280 nan 0.000 0.497 425 V N 1.279 121.251 119.914 0.097 0.000 2.343 425 V HA -0.243 3.878 4.120 0.002 0.000 0.247 425 V C 2.369 178.392 176.094 -0.117 0.000 1.051 425 V CA 1.774 64.083 62.300 0.014 0.000 1.036 425 V CB -0.886 30.982 31.823 0.076 0.000 0.654 425 V HN 0.239 nan 8.190 nan 0.000 0.451 426 F N 1.559 121.309 119.950 -0.333 0.000 2.126 426 F HA -0.184 4.344 4.527 0.002 0.000 0.299 426 F C 2.294 177.733 175.800 -0.602 0.000 1.096 426 F CA 1.935 59.607 58.000 -0.546 0.000 1.255 426 F CB -0.421 38.074 39.000 -0.842 0.000 0.997 426 F HN 0.140 nan 8.300 nan 0.000 0.479 427 N N 0.245 118.465 118.700 -0.800 0.000 2.309 427 N HA -0.167 4.574 4.740 0.002 0.000 0.182 427 N C 1.780 176.820 175.510 -0.782 0.000 1.018 427 N CA 0.964 53.398 53.050 -1.026 0.000 0.876 427 N CB -0.183 37.364 38.487 -1.568 0.000 0.972 427 N HN 0.407 nan 8.380 nan 0.000 0.434 428 Q N 1.156 120.629 119.800 -0.544 0.000 2.079 428 Q HA 0.037 4.378 4.340 0.002 0.000 0.200 428 Q C 1.634 177.462 176.000 -0.287 0.000 0.974 428 Q CA 1.330 56.948 55.803 -0.308 0.000 0.840 428 Q CB 0.088 28.735 28.738 -0.152 0.000 0.898 428 Q HN 0.223 nan 8.270 nan 0.000 0.430 429 K N -0.615 119.585 120.400 -0.332 0.000 2.283 429 K HA -0.112 4.210 4.320 0.002 0.000 0.202 429 K C 1.977 178.367 176.600 -0.349 0.000 1.048 429 K CA 0.837 56.945 56.287 -0.297 0.000 0.948 429 K CB 0.030 32.349 32.500 -0.302 0.000 0.742 429 K HN -0.050 nan 8.250 nan 0.000 0.458 430 R N 0.961 121.172 120.500 -0.481 0.000 2.193 430 R HA 0.060 4.401 4.340 0.002 0.000 0.213 430 R C 0.193 176.318 176.300 -0.292 0.000 1.055 430 R CA 0.286 56.116 56.100 -0.451 0.000 0.995 430 R CB 0.134 30.067 30.300 -0.612 0.000 0.893 430 R HN -0.029 nan 8.270 nan 0.000 0.459 431 R N 0.291 120.642 120.500 -0.249 0.000 2.486 431 R HA -0.068 4.274 4.340 0.002 0.000 0.304 431 R C 0.695 176.925 176.300 -0.117 0.000 0.913 431 R CA 1.325 57.335 56.100 -0.150 0.000 1.124 431 R CB -0.122 30.113 30.300 -0.108 0.000 0.891 431 R HN 0.619 nan 8.270 nan 0.000 0.410 432 G N 2.693 111.439 108.800 -0.090 0.000 2.267 432 G HA2 -0.276 3.685 3.960 0.002 0.000 0.257 432 G HA3 -0.276 3.685 3.960 0.002 0.000 0.257 432 G C 0.011 174.857 174.900 -0.090 0.000 0.998 432 G CA 0.070 45.123 45.100 -0.078 0.000 0.620 432 G HN 0.471 nan 8.290 nan 0.000 0.529 433 K N 0.550 120.880 120.400 -0.117 0.000 2.298 433 K HA 0.440 4.761 4.320 0.002 0.000 0.280 433 K C 0.557 177.086 176.600 -0.118 0.000 1.032 433 K CA -0.484 55.731 56.287 -0.120 0.000 0.958 433 K CB 1.266 33.677 32.500 -0.147 0.000 0.978 433 K HN 0.303 nan 8.250 nan 0.000 0.472 434 I N 2.610 123.115 120.570 -0.109 0.000 2.227 434 I HA 0.000 4.171 4.170 0.002 0.000 0.297 434 I C 0.545 176.586 176.117 -0.127 0.000 1.173 434 I CA 0.137 61.367 61.300 -0.116 0.000 1.356 434 I CB 0.257 38.191 38.000 -0.110 0.000 1.485 434 I HN 0.402 nan 8.210 nan 0.000 0.604 435 T N 5.375 119.846 114.554 -0.139 0.000 2.906 435 T HA 0.539 4.890 4.350 0.002 0.000 0.295 435 T C -0.443 174.162 174.700 -0.159 0.000 1.061 435 T CA -0.615 61.402 62.100 -0.139 0.000 1.000 435 T CB 1.289 70.076 68.868 -0.135 0.000 1.103 435 T HN 0.042 nan 8.240 nan 0.000 0.486 436 L N 3.386 124.515 121.223 -0.156 0.000 2.421 436 L HA 0.535 4.876 4.340 0.002 0.000 0.263 436 L C 0.188 176.928 176.870 -0.218 0.000 1.122 436 L CA -0.552 54.175 54.840 -0.187 0.000 0.804 436 L CB 0.720 42.671 42.059 -0.180 0.000 1.150 436 L HN 0.659 nan 8.230 nan 0.000 0.457 437 N N 1.678 120.163 118.700 -0.360 0.000 2.706 437 N HA 0.480 5.221 4.740 0.002 0.000 0.240 437 N C -0.378 174.864 175.510 -0.446 0.000 1.039 437 N CA -0.194 52.443 53.050 -0.689 0.000 0.888 437 N CB 1.601 39.321 38.487 -1.278 0.000 1.128 437 N HN 0.689 nan 8.380 nan 0.000 0.512 438 A N 0.511 123.243 122.820 -0.147 0.000 2.303 438 A HA 0.645 4.966 4.320 0.002 0.000 0.317 438 A C 0.994 178.609 177.584 0.052 0.000 1.149 438 A CA -0.353 51.621 52.037 -0.104 0.000 0.822 438 A CB 0.590 19.476 19.000 -0.190 0.000 1.131 438 A HN 0.546 nan 8.150 nan 0.000 0.493 439 T N -2.707 111.843 114.554 -0.008 0.000 3.009 439 T HA 0.389 4.740 4.350 0.002 0.000 0.267 439 T C 0.208 174.914 174.700 0.010 0.000 0.942 439 T CA 0.485 62.615 62.100 0.049 0.000 0.883 439 T CB 0.064 68.969 68.868 0.061 0.000 1.192 439 T HN 0.566 nan 8.240 nan 0.000 0.524 440 S N 1.309 116.989 115.700 -0.033 0.000 2.566 440 S HA 0.706 5.177 4.470 0.002 0.000 0.273 440 S C -0.650 173.838 174.600 -0.188 0.000 1.157 440 S CA -0.616 57.539 58.200 -0.075 0.000 0.938 440 S CB 2.259 65.450 63.200 -0.014 0.000 1.087 440 S HN 0.761 nan 8.310 nan 0.000 0.474 441 T N -1.135 113.219 114.554 -0.333 0.000 2.716 441 T HA 0.499 4.850 4.350 0.002 0.000 0.286 441 T C 0.658 174.950 174.700 -0.680 0.000 1.052 441 T CA -0.729 61.129 62.100 -0.404 0.000 1.024 441 T CB 0.595 69.358 68.868 -0.175 0.000 1.349 441 T HN 0.754 nan 8.240 nan 0.000 0.525 442 H N -1.222 117.610 119.070 -0.396 0.000 2.547 442 H HA 0.330 4.888 4.556 0.002 0.000 0.272 442 H C 0.646 175.953 175.328 -0.035 0.000 0.989 442 H CA 0.672 56.627 56.048 -0.156 0.000 1.214 442 H CB -0.029 29.834 29.762 0.168 0.000 1.389 442 H HN 0.454 nan 8.280 nan 0.000 0.577 443 D N 0.955 121.126 120.400 -0.381 0.000 2.417 443 D HA 0.002 4.643 4.640 0.002 0.000 0.207 443 D C 0.531 176.788 176.300 -0.072 0.000 1.075 443 D CA 0.598 54.480 54.000 -0.197 0.000 0.851 443 D CB 0.392 41.051 40.800 -0.234 0.000 0.976 443 D HN 0.499 nan 8.370 nan 0.000 0.505 444 T N -0.395 114.126 114.554 -0.055 0.000 2.926 444 T HA 0.095 4.446 4.350 0.002 0.000 0.307 444 T C 1.331 175.986 174.700 -0.076 0.000 1.059 444 T CA -0.427 61.668 62.100 -0.009 0.000 1.122 444 T CB 1.712 70.602 68.868 0.037 0.000 0.972 444 T HN -0.267 nan 8.240 nan 0.000 0.545 445 K N 1.094 121.399 120.400 -0.159 0.000 2.097 445 K HA 0.089 4.410 4.320 0.002 0.000 0.206 445 K C 0.122 176.340 176.600 -0.637 0.000 1.049 445 K CA 1.177 57.208 56.287 -0.426 0.000 0.933 445 K CB -0.342 31.761 32.500 -0.663 0.000 0.717 445 K HN 0.742 nan 8.250 nan 0.000 0.442 446 F N -0.632 119.352 119.950 0.056 0.000 2.629 446 F HA 0.198 4.727 4.527 0.002 0.000 0.316 446 F C 0.543 176.353 175.800 0.017 0.000 1.081 446 F CA -1.384 56.642 58.000 0.043 0.000 0.954 446 F CB 1.377 40.399 39.000 0.037 0.000 1.337 446 F HN -0.271 nan 8.300 nan 0.000 0.474 447 S N -0.450 115.389 115.700 0.233 0.000 2.652 447 S HA 0.175 4.646 4.470 0.002 0.000 0.270 447 S C 0.915 175.558 174.600 0.072 0.000 1.243 447 S CA -0.279 57.982 58.200 0.102 0.000 0.999 447 S CB 1.190 64.433 63.200 0.071 0.000 0.973 447 S HN 0.852 nan 8.310 nan 0.000 0.544 448 E N 0.745 120.959 120.200 0.023 0.000 2.085 448 E HA -0.270 4.081 4.350 0.002 0.000 0.194 448 E C 0.473 177.041 176.600 -0.054 0.000 0.994 448 E CA 1.630 58.025 56.400 -0.008 0.000 0.801 448 E CB -0.588 29.108 29.700 -0.007 0.000 0.743 448 E HN 0.693 nan 8.360 nan 0.000 0.453 449 D N 0.915 121.252 120.400 -0.105 0.000 2.219 449 D HA -0.066 4.575 4.640 0.002 0.000 0.205 449 D C 2.189 178.425 176.300 -0.107 0.000 0.970 449 D CA 0.739 54.620 54.000 -0.198 0.000 0.851 449 D CB 0.042 40.531 40.800 -0.518 0.000 0.943 449 D HN 0.126 nan 8.370 nan 0.000 0.488 450 V N 1.016 120.911 119.914 -0.031 0.000 2.379 450 V HA -0.174 3.947 4.120 0.002 0.000 0.245 450 V C 2.477 178.517 176.094 -0.090 0.000 1.044 450 V CA 1.350 63.675 62.300 0.041 0.000 1.036 450 V CB -0.261 31.592 31.823 0.050 0.000 0.664 450 V HN 0.106 nan 8.190 nan 0.000 0.453 451 R N -0.751 119.701 120.500 -0.080 0.000 2.081 451 R HA -0.115 4.227 4.340 0.002 0.000 0.235 451 R C 2.283 178.506 176.300 -0.129 0.000 1.131 451 R CA 1.371 57.407 56.100 -0.107 0.000 0.960 451 R CB -0.316 29.967 30.300 -0.028 0.000 0.856 451 R HN 0.359 nan 8.270 nan 0.000 0.436 452 M N 0.533 120.051 119.600 -0.137 0.000 2.229 452 M HA -0.114 4.368 4.480 0.002 0.000 0.264 452 M C 2.071 178.304 176.300 -0.111 0.000 1.063 452 M CA 1.423 56.617 55.300 -0.176 0.000 1.114 452 M CB -0.546 31.926 32.600 -0.212 0.000 1.387 452 M HN 0.058 nan 8.290 nan 0.000 0.420 453 K N 0.659 121.016 120.400 -0.072 0.000 2.062 453 K HA -0.036 4.285 4.320 0.002 0.000 0.205 453 K C 1.867 178.404 176.600 -0.106 0.000 1.051 453 K CA 0.903 57.152 56.287 -0.063 0.000 0.941 453 K CB 0.046 32.549 32.500 0.006 0.000 0.719 453 K HN 0.216 nan 8.250 nan 0.000 0.440 454 I N 1.261 121.749 120.570 -0.137 0.000 2.394 454 I HA -0.254 3.917 4.170 0.002 0.000 0.251 454 I C 2.315 178.329 176.117 -0.171 0.000 1.136 454 I CA 1.249 62.434 61.300 -0.193 0.000 1.425 454 I CB -0.294 37.560 38.000 -0.244 0.000 1.079 454 I HN 0.286 nan 8.210 nan 0.000 0.425 455 S N 0.494 116.121 115.700 -0.121 0.000 2.442 455 S HA -0.112 4.359 4.470 0.002 0.000 0.236 455 S C 1.909 176.504 174.600 -0.010 0.000 1.007 455 S CA 0.976 59.135 58.200 -0.068 0.000 0.965 455 S CB -0.804 62.373 63.200 -0.038 0.000 0.773 455 S HN 0.263 nan 8.310 nan 0.000 0.504 456 V N 1.396 121.298 119.914 -0.020 0.000 2.594 456 V HA -0.082 4.039 4.120 0.002 0.000 0.253 456 V C 2.360 178.485 176.094 0.053 0.000 1.069 456 V CA 1.170 63.489 62.300 0.032 0.000 1.082 456 V CB -0.964 30.885 31.823 0.043 0.000 0.680 456 V HN 0.383 nan 8.190 nan 0.000 0.469 457 L N 1.187 122.376 121.223 -0.056 0.000 2.127 457 L HA -0.147 4.194 4.340 0.002 0.000 0.211 457 L C 2.649 179.508 176.870 -0.017 0.000 1.089 457 L CA 2.272 57.035 54.840 -0.127 0.000 0.757 457 L CB -1.073 40.630 42.059 -0.593 0.000 0.899 457 L HN 0.582 nan 8.230 nan 0.000 0.434 458 S N -1.827 113.887 115.700 0.024 0.000 2.515 458 S HA -0.084 4.387 4.470 0.002 0.000 0.231 458 S C 1.581 176.250 174.600 0.115 0.000 0.987 458 S CA 0.593 58.873 58.200 0.133 0.000 0.936 458 S CB -0.319 63.011 63.200 0.216 0.000 0.766 458 S HN 0.571 nan 8.310 nan 0.000 0.528 459 E N -0.154 120.028 120.200 -0.029 0.000 2.385 459 E HA 0.166 4.517 4.350 0.002 0.000 0.194 459 E C -0.556 175.687 176.600 -0.596 0.000 1.013 459 E CA 0.372 56.558 56.400 -0.357 0.000 0.866 459 E CB 0.099 29.455 29.700 -0.573 0.000 0.832 459 E HN 0.687 nan 8.360 nan 0.000 0.500 460 F N 0.628 120.634 119.950 0.093 0.000 2.577 460 F HA 0.222 4.750 4.527 0.002 0.000 0.342 460 F C -1.795 174.118 175.800 0.188 0.000 1.479 460 F CA -1.700 56.375 58.000 0.126 0.000 1.110 460 F CB 1.280 40.375 39.000 0.157 0.000 1.306 460 F HN -0.075 nan 8.300 nan 0.000 0.554 461 P HA -0.167 nan 4.420 nan 0.000 0.217 461 P C 1.078 178.533 177.300 0.258 0.000 1.150 461 P CA 1.548 64.826 63.100 0.298 0.000 0.832 461 P CB 0.527 32.355 31.700 0.214 0.000 0.787 462 E N 0.096 120.406 120.200 0.182 0.000 2.072 462 E HA -0.157 4.194 4.350 0.002 0.000 0.191 462 E C 2.213 178.846 176.600 0.055 0.000 0.985 462 E CA 1.018 57.479 56.400 0.101 0.000 0.801 462 E CB -0.599 29.148 29.700 0.079 0.000 0.750 462 E HN 0.416 nan 8.360 nan 0.000 0.452 463 E N -0.317 119.948 120.200 0.108 0.000 2.107 463 E HA -0.161 4.191 4.350 0.002 0.000 0.191 463 E C 1.733 178.247 176.600 -0.144 0.000 0.982 463 E CA 0.709 57.106 56.400 -0.003 0.000 0.809 463 E CB -0.204 29.547 29.700 0.085 0.000 0.756 463 E HN 0.474 nan 8.360 nan 0.000 0.459 464 W N 2.256 123.464 121.300 -0.155 0.000 2.355 464 W HA -0.217 4.444 4.660 0.001 0.000 0.309 464 W C 2.000 178.329 176.519 -0.318 0.000 1.206 464 W CA 1.473 58.651 57.345 -0.279 0.000 1.284 464 W CB -0.167 29.302 29.460 0.015 0.000 1.145 464 W HN -0.024 nan 8.180 nan 0.000 0.502 465 K N 0.962 121.199 120.400 -0.271 0.000 2.032 465 K HA -0.193 4.128 4.320 0.002 0.000 0.209 465 K C 0.871 177.216 176.600 -0.425 0.000 1.048 465 K CA 1.316 57.390 56.287 -0.355 0.000 0.927 465 K CB -0.431 32.009 32.500 -0.099 0.000 0.712 465 K HN 0.032 nan 8.250 nan 0.000 0.441 469 E N 0.945 120.952 120.200 -0.321 0.000 2.072 469 E HA -0.233 4.118 4.350 0.002 0.000 0.191 469 E C 1.893 178.495 176.600 0.003 0.000 0.985 469 E CA 1.593 57.977 56.400 -0.026 0.000 0.801 469 E CB 0.128 29.800 29.700 -0.046 0.000 0.750 469 E HN 0.713 nan 8.360 nan 0.000 0.452 470 E N 0.330 120.422 120.200 -0.181 0.000 2.051 470 E HA -0.199 4.152 4.350 0.002 0.000 0.192 470 E C 1.694 178.379 176.600 0.142 0.000 0.991 470 E CA 1.179 57.530 56.400 -0.082 0.000 0.799 470 E CB -0.010 29.557 29.700 -0.223 0.000 0.748 470 E HN 0.292 nan 8.360 nan 0.000 0.449 471 W N 0.690 121.962 121.300 -0.047 0.000 2.358 471 W HA -0.145 4.516 4.660 0.002 0.000 0.303 471 W C 2.373 179.030 176.519 0.230 0.000 1.208 471 W CA 1.025 58.417 57.345 0.078 0.000 1.274 471 W CB -1.559 27.804 29.460 -0.162 0.000 1.138 471 W HN 0.399 nan 8.180 nan 0.000 0.515 472 H N -0.267 119.036 119.070 0.388 0.000 2.421 472 H HA -0.110 4.447 4.556 0.002 0.000 0.298 472 H C 1.847 177.330 175.328 0.259 0.000 1.087 472 H CA 1.905 58.197 56.048 0.408 0.000 1.330 472 H CB 0.063 30.110 29.762 0.475 0.000 1.388 472 H HN -0.057 nan 8.280 nan 0.000 0.526 473 S N 0.221 115.999 115.700 0.130 0.000 2.387 473 S HA -0.054 4.417 4.470 0.002 0.000 0.226 473 S C 2.309 176.926 174.600 0.029 0.000 1.026 473 S CA 0.952 59.167 58.200 0.024 0.000 0.972 473 S CB 0.026 63.269 63.200 0.071 0.000 0.814 473 S HN 0.343 nan 8.310 nan 0.000 0.477 474 I N 1.185 121.824 120.570 0.116 0.000 2.162 474 I HA -0.032 4.139 4.170 0.002 0.000 0.238 474 I C 0.220 176.382 176.117 0.075 0.000 1.076 474 I CA 0.795 62.165 61.300 0.117 0.000 1.353 474 I CB -0.056 38.069 38.000 0.209 0.000 1.063 474 I HN 0.166 nan 8.210 nan 0.000 0.408 475 I N 2.248 122.884 120.570 0.110 0.000 2.291 475 I HA 0.077 4.248 4.170 0.002 0.000 0.292 475 I C -0.253 175.871 176.117 0.011 0.000 1.064 475 I CA 0.152 61.477 61.300 0.041 0.000 1.269 475 I CB -0.215 37.811 38.000 0.043 0.000 1.418 475 I HN 0.178 nan 8.210 nan 0.000 0.485 476 N N 9.321 127.986 118.700 -0.057 0.000 2.949 476 N HA 0.303 5.044 4.740 0.002 0.000 0.243 476 N C -2.268 173.217 175.510 -0.042 0.000 1.113 476 N CA -1.143 51.830 53.050 -0.128 0.000 0.980 476 N CB 0.667 39.077 38.487 -0.129 0.000 1.256 476 N HN 0.357 nan 8.380 nan 0.000 0.508 477 P HA 0.245 nan 4.420 nan 0.000 0.276 477 P C -0.574 176.737 177.300 0.020 0.000 1.252 477 P CA -0.349 62.753 63.100 0.003 0.000 0.802 477 P CB 1.249 32.951 31.700 0.004 0.000 1.035 478 K N 0.061 120.444 120.400 -0.028 0.000 2.576 478 K HA 0.207 4.528 4.320 0.002 0.000 0.209 478 K C 0.210 176.805 176.600 -0.008 0.000 1.049 478 K CA -0.234 56.048 56.287 -0.009 0.000 1.140 478 K CB -0.632 31.852 32.500 -0.027 0.000 0.871 478 K HN 0.350 nan 8.250 nan 0.000 0.479 479 V N -2.253 117.650 119.914 -0.019 0.000 3.234 479 V HA 0.538 4.659 4.120 0.002 0.000 0.317 479 V C 0.518 176.722 176.094 0.183 0.000 1.081 479 V CA -1.183 61.127 62.300 0.017 0.000 1.037 479 V CB 1.457 33.209 31.823 -0.118 0.000 1.148 479 V HN 0.209 nan 8.190 nan 0.000 0.453 480 S N 0.715 116.594 115.700 0.298 0.000 2.584 480 S HA 0.287 4.758 4.470 0.002 0.000 0.270 480 S C 0.873 175.562 174.600 0.149 0.000 1.346 480 S CA -0.095 58.211 58.200 0.176 0.000 1.018 480 S CB 0.483 63.770 63.200 0.146 0.000 0.899 480 S HN 0.736 nan 8.310 nan 0.000 0.542 481 R N 0.854 121.392 120.500 0.063 0.000 2.115 481 R HA -0.085 4.256 4.340 0.002 0.000 0.230 481 R C 1.993 178.472 176.300 0.298 0.000 1.111 481 R CA 1.368 57.501 56.100 0.055 0.000 0.976 481 R CB -0.548 29.561 30.300 -0.318 0.000 0.870 481 R HN 0.732 nan 8.270 nan 0.000 0.445 482 N N 0.843 119.675 118.700 0.219 0.000 2.106 482 N HA -0.146 4.595 4.740 0.002 0.000 0.188 482 N C 1.120 176.843 175.510 0.355 0.000 1.029 482 N CA 1.487 54.723 53.050 0.309 0.000 0.848 482 N CB -0.108 38.505 38.487 0.211 0.000 1.007 482 N HN 0.069 nan 8.380 nan 0.000 0.423 483 D N 0.037 120.602 120.400 0.276 0.000 2.183 483 D HA -0.121 4.520 4.640 0.002 0.000 0.203 483 D C 1.600 178.037 176.300 0.228 0.000 0.969 483 D CA 0.571 54.722 54.000 0.250 0.000 0.842 483 D CB -0.173 40.765 40.800 0.231 0.000 0.957 483 D HN 0.527 nan 8.370 nan 0.000 0.484 484 E N -0.552 119.782 120.200 0.224 0.000 2.047 484 E HA -0.214 4.137 4.350 0.002 0.000 0.191 484 E C 1.959 178.591 176.600 0.053 0.000 0.987 484 E CA 0.599 57.060 56.400 0.103 0.000 0.799 484 E CB -0.094 29.745 29.700 0.231 0.000 0.752 484 E HN 0.213 nan 8.360 nan 0.000 0.449 485 Y N 1.513 121.945 120.300 0.219 0.000 2.165 485 Y HA -0.199 4.352 4.550 0.002 0.000 0.286 485 Y C 2.465 178.544 175.900 0.299 0.000 1.155 485 Y CA 2.117 60.365 58.100 0.247 0.000 1.164 485 Y CB -0.191 38.502 38.460 0.389 0.000 0.978 485 Y HN -0.062 nan 8.280 nan 0.000 0.513 486 R N -1.197 119.490 120.500 0.312 0.000 2.075 486 R HA -0.241 4.101 4.340 0.002 0.000 0.232 486 R C 2.299 178.746 176.300 0.245 0.000 1.126 486 R CA 1.683 57.927 56.100 0.241 0.000 0.963 486 R CB -0.859 29.610 30.300 0.281 0.000 0.858 486 R HN 0.533 nan 8.270 nan 0.000 0.435 487 Y N 0.179 120.546 120.300 0.110 0.000 2.128 487 Y HA -0.328 4.223 4.550 0.002 0.000 0.284 487 Y C 1.685 177.727 175.900 0.238 0.000 1.154 487 Y CA 2.109 60.275 58.100 0.109 0.000 1.149 487 Y CB -0.394 38.047 38.460 -0.033 0.000 0.976 487 Y HN 0.148 nan 8.280 nan 0.000 0.505 488 Y N 0.213 120.651 120.300 0.230 0.000 2.207 488 Y HA -0.348 4.203 4.550 0.002 0.000 0.287 488 Y C 2.646 178.747 175.900 0.334 0.000 1.156 488 Y CA 1.269 59.561 58.100 0.320 0.000 1.182 488 Y CB -0.323 38.456 38.460 0.532 0.000 0.979 488 Y HN 0.277 nan 8.280 nan 0.000 0.521 489 Q N -0.424 119.588 119.800 0.353 0.000 2.046 489 Q HA -0.154 4.187 4.340 0.002 0.000 0.200 489 Q C 2.432 178.464 176.000 0.054 0.000 0.975 489 Q CA 1.631 57.499 55.803 0.108 0.000 0.836 489 Q CB -0.306 28.404 28.738 -0.047 0.000 0.896 489 Q HN 0.316 nan 8.270 nan 0.000 0.428 490 V N 1.375 121.336 119.914 0.079 0.000 2.343 490 V HA -0.268 3.853 4.120 0.002 0.000 0.247 490 V C 2.200 178.358 176.094 0.106 0.000 1.051 490 V CA 1.475 63.823 62.300 0.080 0.000 1.036 490 V CB -0.506 31.450 31.823 0.221 0.000 0.654 490 V HN 0.384 nan 8.190 nan 0.000 0.451 491 L N -0.428 120.831 121.223 0.061 0.000 1.994 491 L HA -0.163 4.178 4.340 0.002 0.000 0.208 491 L C 2.477 179.591 176.870 0.405 0.000 1.071 491 L CA 1.660 56.597 54.840 0.162 0.000 0.745 491 L CB -0.216 41.796 42.059 -0.077 0.000 0.892 491 L HN 0.190 nan 8.230 nan 0.000 0.431 492 V N -0.066 120.097 119.914 0.415 0.000 2.287 492 V HA -0.246 3.876 4.120 0.002 0.000 0.248 492 V C 2.591 178.770 176.094 0.142 0.000 1.053 492 V CA 1.973 64.466 62.300 0.322 0.000 1.027 492 V CB -1.260 30.728 31.823 0.275 0.000 0.646 492 V HN 0.646 nan 8.190 nan 0.000 0.447 493 G N -0.219 108.629 108.800 0.080 0.000 2.422 493 G HA2 -0.206 3.755 3.960 0.002 0.000 0.218 493 G HA3 -0.206 3.755 3.960 0.002 0.000 0.218 493 G C 1.663 176.619 174.900 0.094 0.000 1.140 493 G CA 1.262 46.370 45.100 0.014 0.000 0.775 493 G HN 0.669 nan 8.290 nan 0.000 0.545 494 S N -0.874 114.932 115.700 0.176 0.000 2.524 494 S HA 0.210 4.681 4.470 0.002 0.000 0.215 494 S C 1.733 176.371 174.600 0.063 0.000 0.986 494 S CA -0.044 58.292 58.200 0.228 0.000 0.911 494 S CB -0.256 63.162 63.200 0.363 0.000 0.805 494 S HN 0.237 nan 8.310 nan 0.000 0.501 495 F N 2.870 122.770 119.950 -0.083 0.000 2.039 495 F HA -0.262 4.266 4.527 0.002 0.000 0.296 495 F C 1.144 176.558 175.800 -0.643 0.000 1.119 495 F CA 1.821 59.574 58.000 -0.411 0.000 1.211 495 F CB -0.852 38.081 39.000 -0.112 0.000 0.956 495 F HN 0.323 nan 8.300 nan 0.000 0.496 496 Y N 1.876 121.775 120.300 -0.667 0.000 3.093 496 Y HA -0.239 4.312 4.550 0.002 0.000 0.232 496 Y C 0.718 176.167 175.900 -0.751 0.000 0.963 496 Y CA 0.942 58.604 58.100 -0.729 0.000 0.735 496 Y CB -0.877 36.973 38.460 -1.018 0.000 1.008 496 Y HN 0.557 nan 8.280 nan 0.000 0.396 497 E N 0.933 120.451 120.200 -1.136 0.000 1.672 497 E HA 0.258 4.609 4.350 0.002 0.000 0.245 497 E C 0.220 176.309 176.600 -0.852 0.000 1.061 497 E CA 1.057 56.889 56.400 -0.947 0.000 1.591 497 E CB -0.257 28.965 29.700 -0.797 0.000 4.040 497 E HN 1.028 nan 8.360 nan 0.000 0.889 498 G N -0.226 107.778 108.800 -1.326 0.000 2.351 498 G HA2 0.121 4.082 3.960 0.002 0.000 0.353 498 G HA3 0.121 4.082 3.960 0.002 0.000 0.353 498 G C -1.191 173.356 174.900 -0.589 0.000 1.358 498 G CA -0.491 44.160 45.100 -0.748 0.000 0.995 498 G HN 0.094 nan 8.290 nan 0.000 0.611 499 F N 2.642 122.600 119.950 0.013 0.000 2.705 499 F HA 0.393 4.921 4.527 0.002 0.000 0.355 499 F C 1.716 177.684 175.800 0.280 0.000 1.172 499 F CA 0.271 58.331 58.000 0.100 0.000 1.332 499 F CB -0.000 38.930 39.000 -0.116 0.000 1.621 499 F HN 0.568 nan 8.300 nan 0.000 0.605 500 S N -1.038 114.880 115.700 0.363 0.000 2.624 500 S HA 0.144 4.615 4.470 0.002 0.000 0.263 500 S C 1.303 176.113 174.600 0.349 0.000 1.287 500 S CA -0.864 57.507 58.200 0.285 0.000 0.990 500 S CB 0.883 64.171 63.200 0.146 0.000 0.950 500 S HN 0.376 nan 8.310 nan 0.000 0.561 501 N N 0.835 119.661 118.700 0.209 0.000 2.270 501 N HA -0.094 4.647 4.740 0.002 0.000 0.181 501 N C 1.238 176.818 175.510 0.117 0.000 1.016 501 N CA 1.347 54.480 53.050 0.139 0.000 0.870 501 N CB -0.601 37.938 38.487 0.087 0.000 0.979 501 N HN 0.855 nan 8.380 nan 0.000 0.431 502 D N -0.419 120.066 120.400 0.142 0.000 2.123 502 D HA -0.092 4.549 4.640 0.002 0.000 0.200 502 D C 0.689 177.108 176.300 0.198 0.000 0.976 502 D CA 0.308 54.389 54.000 0.134 0.000 0.831 502 D CB 0.017 40.888 40.800 0.119 0.000 0.974 502 D HN -0.007 nan 8.370 nan 0.000 0.469 506 R N 0.792 121.289 120.500 -0.005 0.000 2.083 506 R HA -0.024 4.317 4.340 0.002 0.000 0.237 506 R C 1.081 177.392 176.300 0.019 0.000 1.137 506 R CA 1.168 57.295 56.100 0.046 0.000 0.951 506 R CB -0.284 30.086 30.300 0.118 0.000 0.851 506 R HN 0.134 nan 8.270 nan 0.000 0.434 510 H N 0.911 120.023 119.070 0.071 0.000 2.357 510 H HA 0.052 4.609 4.556 0.002 0.000 0.301 510 H C 1.475 176.871 175.328 0.114 0.000 1.082 510 H CA 1.511 57.633 56.048 0.123 0.000 1.342 510 H CB 0.456 30.320 29.762 0.169 0.000 1.389 510 H HN 0.054 nan 8.280 nan 0.000 0.511 511 M N 0.687 120.338 119.600 0.085 0.000 2.175 511 M HA -0.071 4.410 4.480 0.002 0.000 0.264 511 M C 1.315 177.560 176.300 -0.091 0.000 1.063 511 M CA 0.519 55.832 55.300 0.021 0.000 1.119 511 M CB -0.496 32.142 32.600 0.062 0.000 1.377 511 M HN 0.097 nan 8.290 nan 0.000 0.415 515 V N 1.796 121.597 119.914 -0.189 0.000 2.515 515 V HA 0.074 4.195 4.120 0.002 0.000 0.250 515 V C 1.955 177.909 176.094 -0.233 0.000 1.058 515 V CA 1.725 63.957 62.300 -0.113 0.000 1.064 515 V CB -0.856 30.976 31.823 0.016 0.000 0.675 515 V HN 0.314 nan 8.190 nan 0.000 0.461 516 R N 0.081 120.312 120.500 -0.449 0.000 2.092 516 R HA -0.039 4.302 4.340 0.002 0.000 0.231 516 R C 2.482 178.526 176.300 -0.426 0.000 1.119 516 R CA 1.532 57.223 56.100 -0.682 0.000 0.970 516 R CB -0.276 29.069 30.300 -1.591 0.000 0.864 516 R HN 0.574 nan 8.270 nan 0.000 0.440 517 E N 0.841 120.854 120.200 -0.311 0.000 2.106 517 E HA -0.036 4.315 4.350 0.002 0.000 0.192 517 E C 0.990 177.548 176.600 -0.071 0.000 0.984 517 E CA 0.617 56.934 56.400 -0.139 0.000 0.806 517 E CB -0.122 29.174 29.700 -0.674 0.000 0.750 517 E HN 0.251 nan 8.360 nan 0.000 0.458 521 N N 0.446 118.986 118.700 -0.266 0.000 2.184 521 N HA 0.206 4.947 4.740 0.002 0.000 0.206 521 N C 0.056 175.391 175.510 -0.292 0.000 1.151 521 N CA 0.664 53.446 53.050 -0.448 0.000 0.878 521 N CB 2.077 39.874 38.487 -1.150 0.000 1.014 521 N HN 0.294 nan 8.380 nan 0.000 0.512 522 T N -0.520 113.933 114.554 -0.169 0.000 2.722 522 T HA 0.361 4.712 4.350 0.002 0.000 0.314 522 T C -1.845 172.774 174.700 -0.135 0.000 1.675 522 T CA -0.415 61.618 62.100 -0.111 0.000 1.003 522 T CB 1.099 69.931 68.868 -0.061 0.000 1.602 522 T HN 0.137 nan 8.240 nan 0.000 0.496 523 S N 0.017 115.632 115.700 -0.143 0.000 2.643 523 S HA 0.492 4.963 4.470 0.002 0.000 0.270 523 S C -0.040 174.468 174.600 -0.153 0.000 1.166 523 S CA -0.835 57.275 58.200 -0.150 0.000 0.815 523 S CB 0.522 63.717 63.200 -0.010 0.000 1.139 523 S HN 0.842 nan 8.310 nan 0.000 0.472 524 W N 0.901 122.194 121.300 -0.012 0.000 2.379 524 W HA 0.147 4.808 4.660 0.002 0.000 0.307 524 W C 2.657 179.187 176.519 0.017 0.000 1.200 524 W CA 0.831 58.170 57.345 -0.010 0.000 1.297 524 W CB -0.199 29.254 29.460 -0.012 0.000 1.140 524 W HN 0.612 nan 8.180 nan 0.000 0.507 525 R N -0.478 120.190 120.500 0.280 0.000 2.189 525 R HA -0.021 4.320 4.340 0.002 0.000 0.218 525 R C 0.308 176.714 176.300 0.177 0.000 1.074 525 R CA 0.816 57.062 56.100 0.243 0.000 0.991 525 R CB -0.330 30.114 30.300 0.239 0.000 0.883 525 R HN 0.157 nan 8.270 nan 0.000 0.457 526 N N 0.688 119.452 118.700 0.107 0.000 2.701 526 N HA 0.044 4.785 4.740 0.002 0.000 0.258 526 N C -1.437 174.083 175.510 0.017 0.000 1.262 526 N CA -0.211 52.879 53.050 0.067 0.000 0.780 526 N CB 0.878 39.400 38.487 0.057 0.000 1.380 526 N HN -0.011 nan 8.380 nan 0.000 0.548 527 Q N 1.409 121.212 119.800 0.006 0.000 2.304 527 Q HA 0.119 4.460 4.340 0.002 0.000 0.260 527 Q C -0.370 175.619 176.000 -0.019 0.000 0.965 527 Q CA -0.219 55.565 55.803 -0.033 0.000 0.898 527 Q CB 0.919 29.630 28.738 -0.044 0.000 1.196 527 Q HN 0.372 nan 8.270 nan 0.000 0.402 528 N N 2.660 121.347 118.700 -0.021 0.000 2.645 528 N HA 0.045 4.786 4.740 0.002 0.000 0.233 528 N C 0.160 175.683 175.510 0.022 0.000 1.058 528 N CA 0.084 53.138 53.050 0.006 0.000 0.942 528 N CB 0.513 39.006 38.487 0.009 0.000 1.210 528 N HN 0.476 nan 8.380 nan 0.000 0.512 529 K N 1.776 122.179 120.400 0.005 0.000 2.044 529 K HA -0.213 4.108 4.320 0.002 0.000 0.210 529 K C 0.931 177.531 176.600 -0.001 0.000 1.049 529 K CA 1.761 58.043 56.287 -0.007 0.000 0.927 529 K CB 0.217 32.711 32.500 -0.011 0.000 0.713 529 K HN 0.480 nan 8.250 nan 0.000 0.443 530 E N -0.054 120.157 120.200 0.019 0.000 2.070 530 E HA -0.238 4.113 4.350 0.002 0.000 0.197 530 E C 1.819 178.441 176.600 0.037 0.000 1.004 530 E CA 1.543 57.957 56.400 0.023 0.000 0.805 530 E CB -0.368 29.355 29.700 0.039 0.000 0.744 530 E HN 0.351 nan 8.360 nan 0.000 0.451 531 Y N 1.306 121.573 120.300 -0.055 0.000 2.263 531 Y HA -0.092 4.459 4.550 0.002 0.000 0.292 531 Y C 1.825 177.678 175.900 -0.079 0.000 1.130 531 Y CA 1.463 59.526 58.100 -0.061 0.000 1.179 531 Y CB 0.146 38.571 38.460 -0.059 0.000 0.998 531 Y HN 0.025 nan 8.280 nan 0.000 0.532 532 E N -0.341 119.831 120.200 -0.046 0.000 2.153 532 E HA -0.201 4.150 4.350 0.002 0.000 0.194 532 E C 1.673 178.164 176.600 -0.181 0.000 0.988 532 E CA 1.022 57.341 56.400 -0.134 0.000 0.811 532 E CB -0.113 29.535 29.700 -0.086 0.000 0.746 532 E HN 0.486 nan 8.360 nan 0.000 0.466 533 N N 0.552 119.167 118.700 -0.142 0.000 2.188 533 N HA -0.099 4.642 4.740 0.002 0.000 0.184 533 N C 1.597 176.996 175.510 -0.185 0.000 1.018 533 N CA 0.737 53.706 53.050 -0.136 0.000 0.858 533 N CB -0.047 38.385 38.487 -0.091 0.000 0.989 533 N HN 0.050 nan 8.380 nan 0.000 0.426 534 R N 0.443 120.796 120.500 -0.246 0.000 2.115 534 R HA 0.059 4.400 4.340 0.002 0.000 0.230 534 R C 2.052 178.138 176.300 -0.356 0.000 1.111 534 R CA 0.380 56.305 56.100 -0.292 0.000 0.976 534 R CB -1.025 29.071 30.300 -0.340 0.000 0.870 534 R HN 0.145 nan 8.270 nan 0.000 0.445 535 V N 1.301 120.955 119.914 -0.434 0.000 2.427 535 V HA -0.195 3.927 4.120 0.002 0.000 0.248 535 V C 2.396 178.302 176.094 -0.313 0.000 1.051 535 V CA 1.561 63.627 62.300 -0.391 0.000 1.048 535 V CB -0.419 31.196 31.823 -0.346 0.000 0.666 535 V HN 0.236 nan 8.190 nan 0.000 0.456 536 M N -0.771 118.678 119.600 -0.252 0.000 2.319 536 M HA -0.123 4.358 4.480 0.002 0.000 0.265 536 M C 2.124 178.299 176.300 -0.207 0.000 1.068 536 M CA 1.476 56.648 55.300 -0.213 0.000 1.118 536 M CB -0.430 32.070 32.600 -0.167 0.000 1.395 536 M HN 0.393 nan 8.290 nan 0.000 0.435 537 E N 0.605 120.685 120.200 -0.200 0.000 2.106 537 E HA -0.193 4.158 4.350 0.002 0.000 0.192 537 E C 1.928 178.412 176.600 -0.194 0.000 0.984 537 E CA 0.893 57.191 56.400 -0.169 0.000 0.806 537 E CB -0.140 29.471 29.700 -0.148 0.000 0.750 537 E HN 0.286 nan 8.360 nan 0.000 0.458 538 L N 0.790 121.857 121.223 -0.260 0.000 2.046 538 L HA -0.166 4.175 4.340 0.002 0.000 0.208 538 L C 2.135 178.804 176.870 -0.335 0.000 1.077 538 L CA 1.492 56.139 54.840 -0.321 0.000 0.747 538 L CB -0.387 41.398 42.059 -0.457 0.000 0.896 538 L HN -0.067 nan 8.230 nan 0.000 0.432 539 V N -0.122 119.587 119.914 -0.342 0.000 2.295 539 V HA -0.210 3.912 4.120 0.002 0.000 0.246 539 V C 2.678 178.713 176.094 -0.098 0.000 1.049 539 V CA 1.806 63.981 62.300 -0.208 0.000 1.024 539 V CB -0.824 30.832 31.823 -0.278 0.000 0.648 539 V HN 0.439 nan 8.190 nan 0.000 0.447 540 E N 0.060 120.172 120.200 -0.147 0.000 2.085 540 E HA -0.253 4.098 4.350 0.002 0.000 0.194 540 E C 2.188 178.767 176.600 -0.035 0.000 0.994 540 E CA 1.524 57.872 56.400 -0.087 0.000 0.801 540 E CB -0.217 29.424 29.700 -0.098 0.000 0.743 540 E HN 0.672 nan 8.360 nan 0.000 0.453 541 E N 0.409 120.557 120.200 -0.087 0.000 2.047 541 E HA -0.123 4.228 4.350 0.002 0.000 0.191 541 E C 2.031 178.523 176.600 -0.179 0.000 0.987 541 E CA 2.146 58.478 56.400 -0.113 0.000 0.799 541 E CB -0.340 29.279 29.700 -0.135 0.000 0.752 541 E HN 0.316 nan 8.360 nan 0.000 0.449 542 T N -2.024 112.381 114.554 -0.248 0.000 2.962 542 T HA -0.090 4.261 4.350 0.002 0.000 0.270 542 T C 1.524 176.014 174.700 -0.351 0.000 1.088 542 T CA 0.777 62.525 62.100 -0.588 0.000 1.127 542 T CB -0.414 68.068 68.868 -0.644 0.000 0.883 542 T HN 0.068 nan 8.240 nan 0.000 0.493 543 F N 2.321 122.108 119.950 -0.272 0.000 2.743 543 F HA 0.211 4.739 4.527 0.002 0.000 0.297 543 F C 2.549 178.211 175.800 -0.230 0.000 1.131 543 F CA 0.761 58.617 58.000 -0.240 0.000 1.426 543 F CB 0.036 39.042 39.000 0.010 0.000 1.116 543 F HN 0.419 nan 8.300 nan 0.000 0.583 544 T N -4.628 109.902 114.554 -0.039 0.000 2.955 544 T HA 0.123 4.474 4.350 0.002 0.000 0.251 544 T C 0.663 175.327 174.700 -0.060 0.000 1.002 544 T CA -0.300 61.777 62.100 -0.037 0.000 0.970 544 T CB -0.701 68.166 68.868 -0.001 0.000 1.091 544 T HN 0.019 nan 8.240 nan 0.000 0.495 545 N N 1.781 120.438 118.700 -0.072 0.000 2.427 545 N HA 0.143 4.885 4.740 0.002 0.000 0.269 545 N C 1.143 176.649 175.510 -0.008 0.000 1.235 545 N CA -0.169 52.866 53.050 -0.026 0.000 0.934 545 N CB 0.565 39.046 38.487 -0.010 0.000 1.121 545 N HN 0.244 nan 8.380 nan 0.000 0.480 546 K N 1.947 122.342 120.400 -0.008 0.000 2.147 546 K HA -0.136 4.185 4.320 0.002 0.000 0.205 546 K C 0.486 177.089 176.600 0.006 0.000 1.049 546 K CA 1.100 57.381 56.287 -0.010 0.000 0.936 546 K CB 0.150 32.649 32.500 -0.003 0.000 0.722 546 K HN 0.649 nan 8.250 nan 0.000 0.446 547 D N 0.193 120.613 120.400 0.033 0.000 2.183 547 D HA -0.132 4.509 4.640 0.002 0.000 0.203 547 D C 1.655 177.984 176.300 0.048 0.000 0.969 547 D CA 0.796 54.822 54.000 0.043 0.000 0.842 547 D CB -0.106 40.730 40.800 0.059 0.000 0.957 547 D HN 0.101 nan 8.370 nan 0.000 0.484 548 F N 1.795 121.700 119.950 -0.075 0.000 2.084 548 F HA -0.096 4.432 4.527 0.002 0.000 0.296 548 F C 2.246 177.937 175.800 -0.181 0.000 1.111 548 F CA 1.051 58.965 58.000 -0.144 0.000 1.224 548 F CB -0.325 38.550 39.000 -0.208 0.000 0.991 548 F HN -0.203 nan 8.300 nan 0.000 0.471 549 I N 0.636 121.121 120.570 -0.142 0.000 2.194 549 I HA -0.383 3.788 4.170 0.002 0.000 0.246 549 I C 2.588 178.648 176.117 -0.096 0.000 1.093 549 I CA 1.913 63.082 61.300 -0.218 0.000 1.355 549 I CB -0.681 37.186 38.000 -0.223 0.000 1.046 549 I HN 0.213 nan 8.210 nan 0.000 0.413 550 K N 0.563 120.924 120.400 -0.066 0.000 2.002 550 K HA -0.229 4.092 4.320 0.002 0.000 0.209 550 K C 2.406 178.987 176.600 -0.031 0.000 1.048 550 K CA 2.024 58.297 56.287 -0.024 0.000 0.930 550 K CB -0.159 32.335 32.500 -0.009 0.000 0.714 550 K HN 0.149 nan 8.250 nan 0.000 0.438 551 S N 0.013 115.684 115.700 -0.048 0.000 2.348 551 S HA -0.195 4.276 4.470 0.002 0.000 0.221 551 S C 1.811 176.441 174.600 0.049 0.000 1.033 551 S CA 1.410 59.631 58.200 0.034 0.000 1.010 551 S CB -0.550 62.738 63.200 0.147 0.000 0.891 551 S HN 0.450 nan 8.310 nan 0.000 0.442 552 F N 1.683 121.384 119.950 -0.415 0.000 2.095 552 F HA -0.105 4.423 4.527 0.002 0.000 0.298 552 F C 2.265 177.927 175.800 -0.230 0.000 1.104 552 F CA 2.078 59.778 58.000 -0.501 0.000 1.232 552 F CB -0.371 37.951 39.000 -1.130 0.000 0.987 552 F HN 0.224 nan 8.300 nan 0.000 0.475 553 M N -0.023 119.535 119.600 -0.070 0.000 2.213 553 M HA -0.210 4.272 4.480 0.002 0.000 0.263 553 M C 1.967 178.166 176.300 -0.169 0.000 1.062 553 M CA 1.355 56.567 55.300 -0.147 0.000 1.105 553 M CB -0.293 32.321 32.600 0.023 0.000 1.385 553 M HN 0.001 nan 8.290 nan 0.000 0.417 554 K N -0.243 120.106 120.400 -0.085 0.000 2.057 554 K HA -0.094 4.227 4.320 0.002 0.000 0.206 554 K C 1.761 178.321 176.600 -0.067 0.000 1.050 554 K CA 1.359 57.611 56.287 -0.059 0.000 0.935 554 K CB -0.815 31.677 32.500 -0.014 0.000 0.715 554 K HN 0.288 nan 8.250 nan 0.000 0.439 555 F N 2.771 122.592 119.950 -0.215 0.000 2.128 555 F HA -0.088 4.440 4.527 0.002 0.000 0.295 555 F C 2.381 177.993 175.800 -0.313 0.000 1.100 555 F CA 1.300 59.166 58.000 -0.224 0.000 1.260 555 F CB -0.091 38.846 39.000 -0.105 0.000 1.009 555 F HN 0.042 nan 8.300 nan 0.000 0.476 556 E N 1.024 120.887 120.200 -0.561 0.000 2.085 556 E HA -0.151 4.200 4.350 0.002 0.000 0.194 556 E C 1.258 177.580 176.600 -0.463 0.000 0.994 556 E CA 0.966 56.956 56.400 -0.684 0.000 0.801 556 E CB -0.532 28.582 29.700 -0.978 0.000 0.743 556 E HN 0.488 nan 8.360 nan 0.000 0.453 560 R N 1.933 122.283 120.500 -0.251 0.000 2.073 560 R HA -0.116 4.225 4.340 0.002 0.000 0.234 560 R C 2.264 178.450 176.300 -0.189 0.000 1.134 560 R CA 2.297 58.276 56.100 -0.202 0.000 0.952 560 R CB -0.021 30.169 30.300 -0.184 0.000 0.850 560 R HN 0.209 nan 8.270 nan 0.000 0.433 561 R N 0.305 120.709 120.500 -0.160 0.000 2.081 561 R HA -0.074 4.267 4.340 0.002 0.000 0.235 561 R C 2.274 178.522 176.300 -0.087 0.000 1.131 561 R CA 1.647 57.672 56.100 -0.126 0.000 0.960 561 R CB -0.202 30.048 30.300 -0.084 0.000 0.856 561 R HN 0.293 nan 8.270 nan 0.000 0.436 562 I N -0.340 120.194 120.570 -0.058 0.000 2.315 562 I HA -0.135 4.037 4.170 0.002 0.000 0.248 562 I C 2.363 178.470 176.117 -0.017 0.000 1.117 562 I CA 1.240 62.541 61.300 0.002 0.000 1.404 562 I CB -0.486 37.559 38.000 0.075 0.000 1.071 562 I HN 0.382 nan 8.210 nan 0.000 0.419 563 G N 0.768 109.528 108.800 -0.066 0.000 2.422 563 G HA2 -0.211 3.750 3.960 0.002 0.000 0.218 563 G HA3 -0.211 3.750 3.960 0.002 0.000 0.218 563 G C 1.738 176.578 174.900 -0.100 0.000 1.146 563 G CA 0.413 45.467 45.100 -0.076 0.000 0.769 563 G HN 0.225 nan 8.290 nan 0.000 0.547 564 M N -0.119 119.368 119.600 -0.189 0.000 2.175 564 M HA 0.105 4.587 4.480 0.002 0.000 0.264 564 M C 2.494 178.814 176.300 0.034 0.000 1.063 564 M CA 1.011 56.140 55.300 -0.285 0.000 1.119 564 M CB -0.273 31.944 32.600 -0.640 0.000 1.377 564 M HN 0.174 nan 8.290 nan 0.000 0.415 565 I N 0.271 120.864 120.570 0.039 0.000 2.226 565 I HA -0.297 3.874 4.170 0.002 0.000 0.245 565 I C 2.216 178.402 176.117 0.115 0.000 1.100 565 I CA 1.407 62.773 61.300 0.108 0.000 1.374 565 I CB -0.312 37.745 38.000 0.093 0.000 1.057 565 I HN 0.273 nan 8.210 nan 0.000 0.413 566 K N 0.097 120.535 120.400 0.062 0.000 2.148 566 K HA -0.077 4.244 4.320 0.002 0.000 0.204 566 K C 2.266 178.814 176.600 -0.087 0.000 1.050 566 K CA 1.197 57.490 56.287 0.009 0.000 0.942 566 K CB -0.122 32.344 32.500 -0.057 0.000 0.724 566 K HN 0.141 nan 8.250 nan 0.000 0.446 567 S N 1.066 116.765 115.700 -0.002 0.000 2.383 567 S HA -0.062 4.409 4.470 0.002 0.000 0.227 567 S C 1.721 176.400 174.600 0.131 0.000 1.026 567 S CA 0.797 59.032 58.200 0.058 0.000 0.981 567 S CB -0.077 63.269 63.200 0.244 0.000 0.818 567 S HN 0.090 nan 8.310 nan 0.000 0.472 568 L N 1.600 122.944 121.223 0.202 0.000 2.083 568 L HA -0.008 4.333 4.340 0.002 0.000 0.209 568 L C 2.437 179.404 176.870 0.162 0.000 1.083 568 L CA 1.493 56.449 54.840 0.193 0.000 0.752 568 L CB -1.431 40.763 42.059 0.224 0.000 0.899 568 L HN 0.202 nan 8.230 nan 0.000 0.433 569 S N -0.580 115.221 115.700 0.168 0.000 2.368 569 S HA -0.157 4.314 4.470 0.002 0.000 0.225 569 S C 1.869 176.618 174.600 0.248 0.000 1.030 569 S CA 1.088 59.419 58.200 0.217 0.000 0.999 569 S CB -0.370 63.019 63.200 0.316 0.000 0.844 569 S HN 0.325 nan 8.310 nan 0.000 0.459 570 L N 1.898 123.219 121.223 0.165 0.000 2.056 570 L HA -0.014 4.327 4.340 0.002 0.000 0.207 570 L C 2.145 179.126 176.870 0.186 0.000 1.078 570 L CA 1.494 56.430 54.840 0.160 0.000 0.749 570 L CB -0.659 41.356 42.059 -0.073 0.000 0.901 570 L HN 0.118 nan 8.230 nan 0.000 0.433 571 V N 0.040 120.038 119.914 0.140 0.000 2.295 571 V HA -0.283 3.839 4.120 0.002 0.000 0.246 571 V C 2.789 178.979 176.094 0.160 0.000 1.049 571 V CA 1.640 64.022 62.300 0.136 0.000 1.024 571 V CB -1.439 30.468 31.823 0.139 0.000 0.648 571 V HN 0.591 nan 8.190 nan 0.000 0.447 572 A N -0.401 122.521 122.820 0.169 0.000 1.933 572 A HA -0.181 4.140 4.320 0.002 0.000 0.218 572 A C 2.157 179.886 177.584 0.242 0.000 1.175 572 A CA 1.909 54.047 52.037 0.167 0.000 0.628 572 A CB -0.534 18.550 19.000 0.140 0.000 0.814 572 A HN 0.432 nan 8.150 nan 0.000 0.444 573 L N 0.654 122.066 121.223 0.315 0.000 2.017 573 L HA -0.174 4.167 4.340 0.002 0.000 0.208 573 L C 2.528 179.702 176.870 0.507 0.000 1.073 573 L CA 2.677 57.802 54.840 0.474 0.000 0.745 573 L CB -0.498 41.832 42.059 0.452 0.000 0.894 573 L HN 0.611 nan 8.230 nan 0.000 0.432 574 K N -1.056 119.566 120.400 0.371 0.000 2.288 574 K HA -0.091 4.230 4.320 0.002 0.000 0.201 574 K C 1.864 178.411 176.600 -0.088 0.000 1.048 574 K CA 1.770 58.073 56.287 0.026 0.000 0.956 574 K CB -0.398 31.981 32.500 -0.201 0.000 0.746 574 K HN 0.402 nan 8.250 nan 0.000 0.461 575 I N 0.584 121.170 120.570 0.027 0.000 2.585 575 I HA -0.072 4.099 4.170 0.002 0.000 0.254 575 I C 2.064 178.143 176.117 -0.065 0.000 1.129 575 I CA 0.484 61.766 61.300 -0.029 0.000 1.455 575 I CB -0.058 37.950 38.000 0.013 0.000 1.111 575 I HN 0.141 nan 8.210 nan 0.000 0.433 576 M N -0.029 119.651 119.600 0.134 0.000 2.514 576 M HA 0.107 4.588 4.480 0.002 0.000 0.258 576 M C 1.107 177.706 176.300 0.498 0.000 1.119 576 M CA 0.567 56.062 55.300 0.324 0.000 1.111 576 M CB -0.711 32.184 32.600 0.493 0.000 1.390 576 M HN 0.003 nan 8.290 nan 0.000 0.475 577 S N 0.880 116.788 115.700 0.347 0.000 2.624 577 S HA 0.533 5.005 4.470 0.002 0.000 0.263 577 S C 0.392 175.059 174.600 0.112 0.000 1.287 577 S CA -0.696 57.628 58.200 0.206 0.000 0.990 577 S CB 1.018 64.377 63.200 0.266 0.000 0.950 577 S HN 0.406 nan 8.310 nan 0.000 0.561 578 A N 0.334 123.138 122.820 -0.027 0.000 2.366 578 A HA 0.656 4.977 4.320 0.002 0.000 0.249 578 A C 0.908 178.413 177.584 -0.132 0.000 1.084 578 A CA 0.360 52.358 52.037 -0.064 0.000 0.794 578 A CB -0.848 18.034 19.000 -0.197 0.000 1.034 578 A HN 1.737 nan 8.150 nan 0.000 0.491 579 G N -0.943 107.781 108.800 -0.127 0.000 2.655 579 G HA2 0.084 4.045 3.960 0.002 0.000 0.680 579 G HA3 0.084 4.045 3.960 0.002 0.000 0.680 579 G C -0.750 174.061 174.900 -0.149 0.000 1.302 579 G CA -0.318 44.680 45.100 -0.170 0.000 0.872 579 G HN 1.133 nan 8.290 nan 0.000 0.540 580 I N 2.355 122.818 120.570 -0.178 0.000 2.362 580 I HA 0.378 4.549 4.170 0.002 0.000 0.289 580 I C -1.885 174.106 176.117 -0.209 0.000 0.994 580 I CA -2.228 58.980 61.300 -0.153 0.000 1.158 580 I CB 2.499 40.420 38.000 -0.132 0.000 1.315 580 I HN 0.321 nan 8.210 nan 0.000 0.451 581 P HA 0.074 nan 4.420 nan 0.000 0.271 581 P C -1.210 175.958 177.300 -0.221 0.000 1.220 581 P CA 0.064 62.992 63.100 -0.287 0.000 0.768 581 P CB 1.194 32.778 31.700 -0.195 0.000 0.848 582 D N 2.458 122.643 120.400 -0.358 0.000 2.252 582 D HA 0.553 5.194 4.640 0.002 0.000 0.245 582 D C -1.456 174.608 176.300 -0.394 0.000 1.009 582 D CA -0.461 53.439 54.000 -0.166 0.000 0.870 582 D CB 0.655 41.410 40.800 -0.075 0.000 1.251 582 D HN 0.103 nan 8.370 nan 0.000 0.460 583 F N 2.542 122.498 119.950 0.010 0.000 2.536 583 F HA 0.272 4.800 4.527 0.002 0.000 0.322 583 F C -0.777 174.911 175.800 -0.187 0.000 1.144 583 F CA -1.079 56.872 58.000 -0.083 0.000 0.924 583 F CB 1.227 40.152 39.000 -0.125 0.000 1.181 583 F HN 0.276 nan 8.300 nan 0.000 0.438 584 Y N 4.109 124.363 120.300 -0.077 0.000 2.359 584 Y HA 0.210 4.761 4.550 0.002 0.000 0.330 584 Y C 0.437 176.197 175.900 -0.232 0.000 1.143 584 Y CA -1.153 56.877 58.100 -0.116 0.000 1.318 584 Y CB 0.759 39.206 38.460 -0.023 0.000 1.234 584 Y HN 0.678 nan 8.280 nan 0.000 0.522 585 Q N 3.746 123.131 119.800 -0.692 0.000 2.368 585 Q HA 0.188 4.529 4.340 0.002 0.000 0.331 585 Q C 0.968 176.819 176.000 -0.249 0.000 1.086 585 Q CA 0.809 56.361 55.803 -0.419 0.000 1.031 585 Q CB -0.118 28.493 28.738 -0.211 0.000 1.125 585 Q HN 1.107 nan 8.270 nan 0.000 0.389 586 G N 2.246 111.026 108.800 -0.033 0.000 2.179 586 G HA2 -0.371 3.590 3.960 0.002 0.000 0.260 586 G HA3 -0.371 3.590 3.960 0.002 0.000 0.260 586 G C 0.631 175.533 174.900 0.004 0.000 0.977 586 G CA 0.485 45.551 45.100 -0.057 0.000 0.641 586 G HN 1.022 nan 8.290 nan 0.000 0.533 587 T N -1.451 113.129 114.554 0.044 0.000 3.194 587 T HA 0.314 4.665 4.350 0.002 0.000 0.251 587 T C 1.553 176.289 174.700 0.060 0.000 1.132 587 T CA 1.231 63.372 62.100 0.068 0.000 1.028 587 T CB 0.162 69.110 68.868 0.133 0.000 0.976 587 T HN 0.388 nan 8.240 nan 0.000 0.535 588 E N 1.403 121.646 120.200 0.072 0.000 2.204 588 E HA 0.103 4.454 4.350 0.002 0.000 0.195 588 E C 1.091 177.621 176.600 -0.117 0.000 0.990 588 E CA 0.809 57.230 56.400 0.035 0.000 0.821 588 E CB -0.282 29.490 29.700 0.121 0.000 0.750 588 E HN 0.871 nan 8.360 nan 0.000 0.477 589 I N -4.236 116.239 120.570 -0.159 0.000 3.436 589 I HA 0.429 4.601 4.170 0.002 0.000 0.296 589 I C -0.682 175.216 176.117 -0.366 0.000 1.143 589 I CA -1.506 59.577 61.300 -0.362 0.000 1.009 589 I CB 0.698 38.586 38.000 -0.188 0.000 1.301 589 I HN -0.186 nan 8.210 nan 0.000 0.503 590 W N 1.220 122.470 121.300 -0.082 0.000 2.308 590 W HA 0.470 5.131 4.660 0.002 0.000 0.324 590 W C 0.008 176.357 176.519 -0.283 0.000 1.387 590 W CA -0.384 56.798 57.345 -0.272 0.000 1.250 590 W CB 0.228 29.475 29.460 -0.355 0.000 1.257 590 W HN 0.210 nan 8.180 nan 0.000 0.554 591 R N 3.229 123.613 120.500 -0.194 0.000 2.518 591 R HA 0.182 4.523 4.340 0.002 0.000 0.296 591 R C -1.713 174.429 176.300 -0.262 0.000 1.080 591 R CA -1.130 54.906 56.100 -0.107 0.000 0.922 591 R CB 1.222 31.524 30.300 0.004 0.000 1.184 591 R HN 0.471 nan 8.270 nan 0.000 0.445 592 Y N 4.246 124.584 120.300 0.064 0.000 2.700 592 Y HA 0.343 4.894 4.550 0.002 0.000 0.333 592 Y C 0.096 176.078 175.900 0.136 0.000 1.036 592 Y CA -0.432 57.714 58.100 0.076 0.000 1.287 592 Y CB 0.643 39.129 38.460 0.044 0.000 1.132 592 Y HN 0.249 nan 8.280 nan 0.000 0.510 593 L N 3.725 125.079 121.223 0.220 0.000 2.334 593 L HA 0.617 4.958 4.340 0.002 0.000 0.273 593 L C -0.142 176.876 176.870 0.248 0.000 1.013 593 L CA -0.784 54.189 54.840 0.222 0.000 0.816 593 L CB 1.662 43.833 42.059 0.187 0.000 1.278 593 L HN 0.440 nan 8.230 nan 0.000 0.431 594 L N -0.122 121.226 121.223 0.209 0.000 2.687 594 L HA 0.529 4.870 4.340 0.002 0.000 0.252 594 L C 0.415 177.359 176.870 0.124 0.000 1.115 594 L CA -0.778 54.157 54.840 0.159 0.000 0.893 594 L CB 1.021 43.068 42.059 -0.021 0.000 1.670 594 L HN 0.525 nan 8.230 nan 0.000 0.531 595 T N -0.226 114.414 114.554 0.144 0.000 2.926 595 T HA 0.017 4.368 4.350 0.002 0.000 0.307 595 T C -0.333 174.474 174.700 0.179 0.000 1.059 595 T CA -0.350 61.842 62.100 0.153 0.000 1.122 595 T CB 0.430 69.443 68.868 0.242 0.000 0.972 595 T HN 0.547 nan 8.240 nan 0.000 0.545 596 D N 2.925 123.406 120.400 0.135 0.000 2.629 596 D HA -0.048 4.593 4.640 0.002 0.000 0.228 596 D C -0.726 175.666 176.300 0.153 0.000 1.127 596 D CA -1.231 52.854 54.000 0.141 0.000 0.855 596 D CB 0.646 41.515 40.800 0.116 0.000 1.180 596 D HN 0.231 nan 8.370 nan 0.000 0.484 597 P HA 0.002 nan 4.420 nan 0.000 0.245 597 P C 0.505 177.898 177.300 0.156 0.000 1.212 597 P CA 0.223 63.413 63.100 0.150 0.000 0.774 597 P CB 0.343 32.122 31.700 0.132 0.000 0.999 598 D N 2.088 122.588 120.400 0.167 0.000 2.149 598 D HA -0.173 4.468 4.640 0.002 0.000 0.198 598 D C 1.524 177.929 176.300 0.174 0.000 0.990 598 D CA 1.336 55.437 54.000 0.168 0.000 0.839 598 D CB -0.250 40.658 40.800 0.180 0.000 0.948 598 D HN 0.125 nan 8.370 nan 0.000 0.460 599 N N -0.376 118.432 118.700 0.181 0.000 2.461 599 N HA -0.068 4.673 4.740 0.002 0.000 0.188 599 N C 0.677 176.357 175.510 0.283 0.000 1.134 599 N CA 0.281 53.462 53.050 0.219 0.000 0.878 599 N CB -0.037 38.542 38.487 0.154 0.000 0.972 599 N HN 0.079 nan 8.380 nan 0.000 0.456 600 R N 0.716 121.348 120.500 0.221 0.000 2.359 600 R HA 0.168 4.509 4.340 0.002 0.000 0.231 600 R C 0.269 176.650 176.300 0.135 0.000 0.913 600 R CA -0.148 56.076 56.100 0.206 0.000 1.075 600 R CB -0.541 29.875 30.300 0.194 0.000 1.087 600 R HN 0.317 nan 8.270 nan 0.000 0.515 601 V N 1.108 121.093 119.914 0.119 0.000 2.843 601 V HA 0.257 4.378 4.120 0.002 0.000 0.305 601 V C -1.661 174.445 176.094 0.020 0.000 1.065 601 V CA -1.835 60.509 62.300 0.073 0.000 1.116 601 V CB 0.050 31.920 31.823 0.079 0.000 0.968 601 V HN 0.031 nan 8.190 nan 0.000 0.487 602 P HA 0.233 nan 4.420 nan 0.000 0.269 602 P C -0.615 176.614 177.300 -0.119 0.000 1.215 602 P CA -0.145 62.919 63.100 -0.060 0.000 0.780 602 P CB 1.084 32.777 31.700 -0.012 0.000 0.898 603 V N 2.228 121.999 119.914 -0.240 0.000 2.483 603 V HA 0.143 4.264 4.120 0.002 0.000 0.295 603 V C 0.436 176.278 176.094 -0.420 0.000 1.035 603 V CA -0.342 61.721 62.300 -0.394 0.000 0.896 603 V CB 1.434 32.855 31.823 -0.670 0.000 0.986 603 V HN 0.571 nan 8.190 nan 0.000 0.447 604 D N 3.223 123.416 120.400 -0.344 0.000 2.422 604 D HA 0.204 4.845 4.640 0.002 0.000 0.227 604 D C 0.617 176.698 176.300 -0.365 0.000 1.190 604 D CA -0.007 53.848 54.000 -0.242 0.000 0.905 604 D CB 0.539 41.251 40.800 -0.148 0.000 1.034 604 D HN 0.418 nan 8.370 nan 0.000 0.507 605 F N 2.156 121.986 119.950 -0.200 0.000 2.325 605 F HA -0.091 4.437 4.527 0.002 0.000 0.299 605 F C 2.317 177.703 175.800 -0.689 0.000 1.090 605 F CA 0.455 58.231 58.000 -0.373 0.000 1.392 605 F CB 0.261 39.094 39.000 -0.278 0.000 1.053 605 F HN 0.205 nan 8.300 nan 0.000 0.521 606 K N 0.726 120.884 120.400 -0.404 0.000 2.057 606 K HA -0.188 4.134 4.320 0.002 0.000 0.207 606 K C 1.979 178.413 176.600 -0.276 0.000 1.049 606 K CA 1.162 57.163 56.287 -0.476 0.000 0.931 606 K CB -0.650 31.710 32.500 -0.232 0.000 0.714 606 K HN 0.264 nan 8.250 nan 0.000 0.440 607 K N 1.222 121.508 120.400 -0.190 0.000 2.097 607 K HA -0.060 4.261 4.320 0.002 0.000 0.206 607 K C 2.127 178.674 176.600 -0.088 0.000 1.049 607 K CA 0.801 57.023 56.287 -0.108 0.000 0.933 607 K CB -0.047 32.397 32.500 -0.093 0.000 0.717 607 K HN 0.014 nan 8.250 nan 0.000 0.442 608 L N 0.070 121.201 121.223 -0.153 0.000 2.141 608 L HA -0.144 4.197 4.340 0.002 0.000 0.209 608 L C 2.342 179.228 176.870 0.025 0.000 1.094 608 L CA 1.143 55.932 54.840 -0.085 0.000 0.763 608 L CB -0.528 41.423 42.059 -0.181 0.000 0.908 608 L HN 0.366 nan 8.230 nan 0.000 0.437 609 H N 0.128 119.052 119.070 -0.243 0.000 2.321 609 H HA -0.187 4.371 4.556 0.002 0.000 0.300 609 H C 2.198 177.521 175.328 -0.008 0.000 1.087 609 H CA 1.503 57.488 56.048 -0.105 0.000 1.319 609 H CB 0.161 29.851 29.762 -0.121 0.000 1.379 609 H HN 0.517 nan 8.280 nan 0.000 0.501 610 E N 1.032 121.296 120.200 0.107 0.000 2.150 610 E HA -0.116 4.235 4.350 0.002 0.000 0.193 610 E C 2.037 178.664 176.600 0.044 0.000 0.985 610 E CA 0.961 57.394 56.400 0.055 0.000 0.814 610 E CB -0.205 29.510 29.700 0.025 0.000 0.752 610 E HN 0.496 nan 8.360 nan 0.000 0.466 611 I N 0.741 121.342 120.570 0.051 0.000 2.252 611 I HA -0.198 3.973 4.170 0.002 0.000 0.245 611 I C 2.471 178.622 176.117 0.056 0.000 1.102 611 I CA 0.537 61.867 61.300 0.049 0.000 1.385 611 I CB -0.147 37.881 38.000 0.047 0.000 1.064 611 I HN 0.152 nan 8.210 nan 0.000 0.414 612 L N 1.061 122.337 121.223 0.089 0.000 2.093 612 L HA -0.196 4.145 4.340 0.002 0.000 0.208 612 L C 2.367 179.213 176.870 -0.040 0.000 1.085 612 L CA 1.845 56.710 54.840 0.043 0.000 0.755 612 L CB -0.694 41.440 42.059 0.124 0.000 0.904 612 L HN 0.211 nan 8.230 nan 0.000 0.435 613 E N 0.214 120.410 120.200 -0.007 0.000 2.153 613 E HA -0.253 4.098 4.350 0.002 0.000 0.194 613 E C 1.433 178.015 176.600 -0.030 0.000 0.988 613 E CA 1.391 57.771 56.400 -0.032 0.000 0.811 613 E CB 0.012 29.707 29.700 -0.007 0.000 0.746 613 E HN 0.685 nan 8.360 nan 0.000 0.466 614 K N -0.552 119.843 120.400 -0.008 0.000 2.440 614 K HA 0.270 4.591 4.320 0.002 0.000 0.206 614 K C -0.217 176.390 176.600 0.011 0.000 1.025 614 K CA -0.284 56.001 56.287 -0.003 0.000 1.135 614 K CB 1.128 33.628 32.500 0.000 0.000 0.856 614 K HN -0.161 nan 8.250 nan 0.000 0.502 618 F N 3.448 123.152 119.950 -0.410 0.000 2.572 618 F HA 0.184 4.712 4.527 0.002 0.000 0.370 618 F C -0.242 175.406 175.800 -0.254 0.000 1.103 618 F CA 0.914 58.535 58.000 -0.631 0.000 1.286 618 F CB 0.633 39.315 39.000 -0.529 0.000 1.105 618 F HN 0.472 nan 8.300 nan 0.000 0.583 619 E N 4.080 123.621 120.200 -1.098 0.000 2.314 619 E HA 0.145 4.496 4.350 0.002 0.000 0.272 619 E C 0.108 176.080 176.600 -1.047 0.000 0.884 619 E CA -0.808 55.130 56.400 -0.770 0.000 0.753 619 E CB 1.960 31.428 29.700 -0.387 0.000 1.213 619 E HN 0.570 nan 8.360 nan 0.000 0.432 620 K N 1.858 121.885 120.400 -0.623 0.000 2.209 620 K HA -0.194 4.127 4.320 0.002 0.000 0.204 620 K C 1.104 177.566 176.600 -0.232 0.000 1.048 620 K CA 1.771 57.838 56.287 -0.366 0.000 0.940 620 K CB -0.267 32.162 32.500 -0.118 0.000 0.729 620 K HN 0.458 nan 8.250 nan 0.000 0.451 621 N N 0.756 119.328 118.700 -0.215 0.000 2.573 621 N HA -0.141 4.600 4.740 0.002 0.000 0.187 621 N C 1.434 176.886 175.510 -0.096 0.000 1.107 621 N CA 1.030 54.008 53.050 -0.119 0.000 0.918 621 N CB -0.223 38.208 38.487 -0.095 0.000 0.966 621 N HN 0.315 nan 8.380 nan 0.000 0.448 622 M N -0.076 119.424 119.600 -0.165 0.000 2.254 622 M HA -0.028 4.453 4.480 0.002 0.000 0.265 622 M C 1.331 177.657 176.300 0.044 0.000 1.066 622 M CA 1.093 56.355 55.300 -0.064 0.000 1.123 622 M CB -0.013 32.515 32.600 -0.120 0.000 1.388 622 M HN 0.066 nan 8.290 nan 0.000 0.425 623 L N -0.321 120.923 121.223 0.034 0.000 2.270 623 L HA -0.043 4.298 4.340 0.002 0.000 0.210 623 L C 2.194 179.102 176.870 0.063 0.000 1.104 623 L CA 1.470 56.368 54.840 0.097 0.000 0.804 623 L CB -0.639 41.498 42.059 0.129 0.000 0.937 623 L HN 0.164 nan 8.230 nan 0.000 0.450 624 E N -0.882 119.334 120.200 0.026 0.000 2.047 624 E HA -0.077 4.275 4.350 0.002 0.000 0.191 624 E C 0.748 177.365 176.600 0.028 0.000 0.987 624 E CA 0.850 57.260 56.400 0.017 0.000 0.799 624 E CB 0.121 29.818 29.700 -0.005 0.000 0.752 624 E HN 0.121 nan 8.360 nan 0.000 0.449 625 S N -0.664 115.060 115.700 0.040 0.000 2.399 625 S HA 0.269 4.740 4.470 0.002 0.000 0.215 625 S C 0.367 175.036 174.600 0.114 0.000 1.456 625 S CA -0.419 57.816 58.200 0.059 0.000 1.199 625 S CB -0.080 63.146 63.200 0.043 0.000 1.063 625 S HN 0.169 nan 8.310 nan 0.000 0.476 626 M N 1.195 120.878 119.600 0.139 0.000 2.394 626 M HA -0.016 4.465 4.480 0.002 0.000 0.264 626 M C 1.136 177.663 176.300 0.379 0.000 1.073 626 M CA 0.827 56.282 55.300 0.257 0.000 1.111 626 M CB -0.194 32.529 32.600 0.206 0.000 1.401 626 M HN 0.404 nan 8.290 nan 0.000 0.448 627 D N 1.311 121.853 120.400 0.236 0.000 2.228 627 D HA -0.181 4.460 4.640 0.002 0.000 0.203 627 D C 1.352 177.913 176.300 0.436 0.000 0.988 627 D CA 1.431 55.616 54.000 0.309 0.000 0.864 627 D CB -0.321 40.588 40.800 0.181 0.000 0.928 627 D HN 0.534 nan 8.370 nan 0.000 0.469 628 D N -1.130 119.460 120.400 0.317 0.000 2.312 628 D HA -0.007 4.634 4.640 0.002 0.000 0.211 628 D C 1.682 178.135 176.300 0.255 0.000 0.964 628 D CA 1.188 55.337 54.000 0.248 0.000 0.877 628 D CB -0.486 40.399 40.800 0.143 0.000 0.924 628 D HN 0.233 nan 8.370 nan 0.000 0.515 629 G N 0.438 109.443 108.800 0.341 0.000 2.176 629 G HA2 -0.413 3.548 3.960 0.002 0.000 0.253 629 G HA3 -0.413 3.548 3.960 0.002 0.000 0.253 629 G C 1.245 176.105 174.900 -0.066 0.000 0.979 629 G CA 0.328 45.411 45.100 -0.029 0.000 0.641 629 G HN 0.415 nan 8.290 nan 0.000 0.530 630 R N -0.519 120.022 120.500 0.067 0.000 2.105 630 R HA 0.050 4.391 4.340 0.002 0.000 0.239 630 R C 2.512 178.877 176.300 0.110 0.000 1.135 630 R CA 1.597 57.739 56.100 0.070 0.000 0.967 630 R CB -0.311 30.028 30.300 0.065 0.000 0.861 630 R HN 0.510 nan 8.270 nan 0.000 0.442 631 I N 1.346 121.999 120.570 0.140 0.000 2.315 631 I HA -0.230 3.941 4.170 0.002 0.000 0.248 631 I C 2.013 178.215 176.117 0.143 0.000 1.117 631 I CA 1.622 63.051 61.300 0.215 0.000 1.404 631 I CB -0.135 38.034 38.000 0.281 0.000 1.071 631 I HN -0.013 nan 8.210 nan 0.000 0.419 632 K N -0.438 119.890 120.400 -0.119 0.000 2.103 632 K HA -0.188 4.133 4.320 0.002 0.000 0.204 632 K C 2.146 178.680 176.600 -0.111 0.000 1.052 632 K CA 1.535 57.646 56.287 -0.294 0.000 0.945 632 K CB -0.140 31.784 32.500 -0.959 0.000 0.722 632 K HN 0.269 nan 8.250 nan 0.000 0.443 633 M N -0.077 119.487 119.600 -0.059 0.000 2.175 633 M HA -0.159 4.322 4.480 0.002 0.000 0.264 633 M C 1.772 178.154 176.300 0.136 0.000 1.063 633 M CA 1.503 56.823 55.300 0.034 0.000 1.119 633 M CB -0.483 32.145 32.600 0.047 0.000 1.377 633 M HN 0.228 nan 8.290 nan 0.000 0.415 634 Y N 0.077 120.433 120.300 0.093 0.000 2.163 634 Y HA -0.168 4.383 4.550 0.002 0.000 0.288 634 Y C 2.056 178.065 175.900 0.182 0.000 1.136 634 Y CA 2.167 60.377 58.100 0.183 0.000 1.147 634 Y CB -0.447 38.135 38.460 0.204 0.000 0.987 634 Y HN 0.316 nan 8.280 nan 0.000 0.509 635 L N -0.743 120.553 121.223 0.122 0.000 2.083 635 L HA -0.210 4.132 4.340 0.002 0.000 0.209 635 L C 2.165 179.013 176.870 -0.037 0.000 1.083 635 L CA 2.183 57.036 54.840 0.022 0.000 0.752 635 L CB -0.653 41.478 42.059 0.121 0.000 0.899 635 L HN 0.262 nan 8.230 nan 0.000 0.433 636 T N -1.050 113.508 114.554 0.008 0.000 2.643 636 T HA -0.222 4.129 4.350 0.002 0.000 0.264 636 T C 0.690 175.346 174.700 -0.075 0.000 1.045 636 T CA 1.220 63.316 62.100 -0.006 0.000 1.155 636 T CB -0.490 68.362 68.868 -0.027 0.000 0.863 636 T HN 0.394 nan 8.240 nan 0.000 0.420 640 L N 0.205 121.326 121.223 -0.171 0.000 2.201 640 L HA -0.074 4.267 4.340 0.002 0.000 0.212 640 L C 2.376 179.148 176.870 -0.162 0.000 1.105 640 L CA 1.324 56.080 54.840 -0.140 0.000 0.775 640 L CB -0.170 41.808 42.059 -0.134 0.000 0.913 640 L HN 0.220 nan 8.230 nan 0.000 0.440 641 S N -0.001 115.543 115.700 -0.260 0.000 2.387 641 S HA -0.138 4.333 4.470 0.002 0.000 0.226 641 S C 1.788 176.324 174.600 -0.108 0.000 1.026 641 S CA 0.940 59.001 58.200 -0.230 0.000 0.972 641 S CB -0.172 62.777 63.200 -0.418 0.000 0.814 641 S HN 0.256 nan 8.310 nan 0.000 0.477 642 L N 2.178 123.347 121.223 -0.090 0.000 2.056 642 L HA 0.072 4.413 4.340 0.002 0.000 0.207 642 L C 2.260 179.208 176.870 0.130 0.000 1.078 642 L CA 1.682 56.546 54.840 0.041 0.000 0.749 642 L CB -0.545 41.553 42.059 0.066 0.000 0.901 642 L HN 0.124 nan 8.230 nan 0.000 0.433 643 R N 0.352 120.833 120.500 -0.033 0.000 2.081 643 R HA -0.228 4.113 4.340 0.002 0.000 0.235 643 R C 2.312 178.658 176.300 0.077 0.000 1.131 643 R CA 2.087 58.124 56.100 -0.106 0.000 0.960 643 R CB -0.314 29.795 30.300 -0.319 0.000 0.856 643 R HN 0.616 nan 8.270 nan 0.000 0.436 644 K N -0.092 120.323 120.400 0.025 0.000 2.097 644 K HA -0.222 4.099 4.320 0.002 0.000 0.205 644 K C 2.077 178.710 176.600 0.055 0.000 1.050 644 K CA 1.690 57.998 56.287 0.035 0.000 0.938 644 K CB -0.361 32.141 32.500 0.004 0.000 0.718 644 K HN 0.329 nan 8.250 nan 0.000 0.442 645 Q N 0.905 120.744 119.800 0.064 0.000 2.291 645 Q HA -0.038 4.303 4.340 0.002 0.000 0.205 645 Q C 0.836 176.882 176.000 0.077 0.000 0.970 645 Q CA 0.921 56.761 55.803 0.062 0.000 0.876 645 Q CB 0.185 28.959 28.738 0.060 0.000 0.935 645 Q HN 0.492 nan 8.270 nan 0.000 0.455 646 L N -0.158 121.157 121.223 0.154 0.000 3.288 646 L HA 0.399 4.740 4.340 0.002 0.000 0.293 646 L C 1.284 178.252 176.870 0.164 0.000 1.294 646 L CA -0.069 54.834 54.840 0.104 0.000 1.006 646 L CB 0.520 42.667 42.059 0.146 0.000 1.407 646 L HN 0.094 nan 8.230 nan 0.000 0.592 647 A N 0.627 123.531 122.820 0.140 0.000 1.884 647 A HA -0.278 4.043 4.320 0.002 0.000 0.219 647 A C 2.177 179.801 177.584 0.066 0.000 1.197 647 A CA 2.441 54.556 52.037 0.131 0.000 0.637 647 A CB -0.193 18.848 19.000 0.068 0.000 0.827 647 A HN 0.500 nan 8.150 nan 0.000 0.450 648 E N 0.416 120.601 120.200 -0.024 0.000 2.051 648 E HA -0.189 4.162 4.350 0.002 0.000 0.192 648 E C 1.562 178.074 176.600 -0.147 0.000 0.991 648 E CA 1.791 58.147 56.400 -0.074 0.000 0.799 648 E CB -0.299 29.344 29.700 -0.095 0.000 0.748 648 E HN 0.621 nan 8.360 nan 0.000 0.449 649 D N -0.704 119.505 120.400 -0.319 0.000 2.144 649 D HA -0.160 4.481 4.640 0.002 0.000 0.199 649 D C 1.815 177.845 176.300 -0.451 0.000 0.984 649 D CA 0.983 54.572 54.000 -0.687 0.000 0.834 649 D CB -0.282 39.592 40.800 -1.543 0.000 0.955 649 D HN 0.291 nan 8.370 nan 0.000 0.465 650 F N 0.357 120.250 119.950 -0.095 0.000 2.259 650 F HA -0.086 4.442 4.527 0.002 0.000 0.298 650 F C 2.243 178.079 175.800 0.061 0.000 1.088 650 F CA 0.186 58.264 58.000 0.130 0.000 1.358 650 F CB 0.022 39.111 39.000 0.147 0.000 1.040 650 F HN -0.078 nan 8.300 nan 0.000 0.505 651 L N -0.015 121.300 121.223 0.153 0.000 2.084 651 L HA -0.049 4.292 4.340 0.002 0.000 0.202 651 L C 1.907 178.783 176.870 0.011 0.000 1.074 651 L CA 1.895 56.769 54.840 0.057 0.000 0.757 651 L CB -0.352 41.715 42.059 0.014 0.000 0.918 651 L HN -0.202 nan 8.230 nan 0.000 0.444 652 K N -0.433 119.957 120.400 -0.016 0.000 2.334 652 K HA 0.297 4.618 4.320 0.002 0.000 0.195 652 K C 0.870 177.460 176.600 -0.016 0.000 1.045 652 K CA 0.422 56.690 56.287 -0.032 0.000 1.004 652 K CB -0.089 32.379 32.500 -0.053 0.000 0.837 652 K HN 0.337 nan 8.250 nan 0.000 0.510 653 G N 0.954 109.743 108.800 -0.017 0.000 2.630 653 G HA2 -0.080 3.881 3.960 0.002 0.000 0.236 653 G HA3 -0.080 3.881 3.960 0.002 0.000 0.236 653 G C -0.568 174.416 174.900 0.140 0.000 1.248 653 G CA -0.331 44.797 45.100 0.046 0.000 0.844 653 G HN 0.296 nan 8.290 nan 0.000 0.588 654 E N -0.784 119.510 120.200 0.157 0.000 2.418 654 E HA 0.162 4.513 4.350 0.002 0.000 0.261 654 E C -1.215 175.490 176.600 0.175 0.000 1.070 654 E CA -0.178 56.303 56.400 0.134 0.000 0.931 654 E CB 0.409 30.164 29.700 0.093 0.000 0.954 654 E HN 0.426 nan 8.360 nan 0.000 0.439 655 Y N 2.869 123.175 120.300 0.010 0.000 2.346 655 Y HA 0.358 4.909 4.550 0.002 0.000 0.332 655 Y C -1.157 174.732 175.900 -0.019 0.000 0.985 655 Y CA -0.837 57.258 58.100 -0.008 0.000 1.112 655 Y CB 1.180 39.592 38.460 -0.079 0.000 1.170 655 Y HN 0.295 nan 8.280 nan 0.000 0.447 656 K N 4.746 124.930 120.400 -0.360 0.000 2.535 656 K HA 0.412 4.733 4.320 0.002 0.000 0.253 656 K C -0.490 175.872 176.600 -0.396 0.000 0.953 656 K CA -0.714 55.431 56.287 -0.236 0.000 0.863 656 K CB 1.511 33.931 32.500 -0.134 0.000 1.111 656 K HN 0.955 nan 8.250 nan 0.000 0.431 657 G N 3.860 112.437 108.800 -0.371 0.000 2.370 657 G HA2 0.355 4.316 3.960 0.002 0.000 0.272 657 G HA3 0.355 4.316 3.960 0.002 0.000 0.272 657 G C -0.153 174.524 174.900 -0.372 0.000 1.208 657 G CA -0.451 44.224 45.100 -0.709 0.000 0.856 657 G HN 0.434 nan 8.290 nan 0.000 0.500 658 L N 1.479 122.560 121.223 -0.238 0.000 2.343 658 L HA 0.325 4.666 4.340 0.002 0.000 0.275 658 L C -0.330 176.572 176.870 0.054 0.000 1.056 658 L CA -0.970 53.833 54.840 -0.061 0.000 0.804 658 L CB 1.890 43.920 42.059 -0.049 0.000 1.203 658 L HN 0.421 nan 8.230 nan 0.000 0.440 659 D N 2.935 123.365 120.400 0.050 0.000 2.359 659 D HA 0.513 5.154 4.640 0.002 0.000 0.230 659 D C -0.765 175.564 176.300 0.050 0.000 1.118 659 D CA -0.039 54.010 54.000 0.081 0.000 0.844 659 D CB 0.585 41.425 40.800 0.067 0.000 1.059 659 D HN 0.251 nan 8.370 nan 0.000 0.493 660 L N 2.152 123.406 121.223 0.051 0.000 2.271 660 L HA 0.498 4.839 4.340 0.002 0.000 0.265 660 L C 0.740 177.611 176.870 0.002 0.000 1.013 660 L CA -1.327 53.517 54.840 0.007 0.000 0.820 660 L CB 1.291 43.332 42.059 -0.030 0.000 1.352 660 L HN 0.407 nan 8.230 nan 0.000 0.443 661 E N -0.207 119.983 120.200 -0.017 0.000 2.392 661 E HA 0.104 4.455 4.350 0.002 0.000 0.259 661 E C -0.480 176.102 176.600 -0.031 0.000 1.108 661 E CA -0.664 55.739 56.400 0.005 0.000 0.916 661 E CB 0.859 30.590 29.700 0.051 0.000 0.989 661 E HN 0.453 nan 8.360 nan 0.000 0.432 662 E N 0.165 120.381 120.200 0.026 0.000 2.465 662 E HA 0.040 4.391 4.350 0.002 0.000 0.260 662 E C 0.437 177.036 176.600 -0.002 0.000 0.980 662 E CA 1.218 57.645 56.400 0.045 0.000 0.927 662 E CB 0.020 29.780 29.700 0.099 0.000 0.934 662 E HN 0.823 nan 8.360 nan 0.000 0.459 663 G N 3.516 112.302 108.800 -0.024 0.000 2.231 663 G HA2 -0.202 3.759 3.960 0.002 0.000 0.206 663 G HA3 -0.202 3.759 3.960 0.002 0.000 0.206 663 G C -0.105 174.558 174.900 -0.395 0.000 0.996 663 G CA -0.053 44.972 45.100 -0.124 0.000 0.645 663 G HN 0.450 nan 8.290 nan 0.000 0.498 664 L N -0.099 120.892 121.223 -0.386 0.000 2.354 664 L HA 0.806 5.147 4.340 0.002 0.000 0.264 664 L C -0.333 176.450 176.870 -0.144 0.000 1.008 664 L CA -1.098 53.547 54.840 -0.326 0.000 0.819 664 L CB 2.515 44.337 42.059 -0.396 0.000 1.339 664 L HN 0.273 nan 8.230 nan 0.000 0.420 665 C N 1.421 120.672 119.300 -0.082 0.000 2.551 665 C HA 0.913 5.374 4.460 0.002 0.000 0.332 665 C C -0.079 174.968 174.990 0.094 0.000 1.139 665 C CA -0.175 58.867 59.018 0.040 0.000 1.328 665 C CB 0.377 28.110 27.740 -0.011 0.000 1.903 665 C HN 0.932 nan 8.230 nan 0.000 0.459 666 G N 4.152 113.066 108.800 0.190 0.000 2.660 666 G HA2 0.921 4.883 3.960 0.002 0.000 0.294 666 G HA3 0.921 4.883 3.960 0.002 0.000 0.294 666 G C -1.383 173.592 174.900 0.124 0.000 1.369 666 G CA -0.510 44.603 45.100 0.021 0.000 0.912 666 G HN 1.313 nan 8.290 nan 0.000 0.479 667 F N -1.195 118.704 119.950 -0.084 0.000 2.741 667 F HA 0.756 5.284 4.527 0.002 0.000 0.311 667 F C -1.525 174.105 175.800 -0.283 0.000 1.149 667 F CA -1.694 56.126 58.000 -0.300 0.000 0.930 667 F CB 1.145 39.821 39.000 -0.540 0.000 1.312 667 F HN 0.447 nan 8.300 nan 0.000 0.450 668 I N 2.601 123.094 120.570 -0.129 0.000 2.433 668 I HA 0.542 4.713 4.170 0.002 0.000 0.292 668 I C -0.676 175.354 176.117 -0.145 0.000 1.001 668 I CA -1.018 60.190 61.300 -0.153 0.000 1.119 668 I CB 1.819 39.731 38.000 -0.147 0.000 1.289 668 I HN 0.446 nan 8.210 nan 0.000 0.438 669 R N 5.678 126.042 120.500 -0.227 0.000 2.393 669 R HA 0.335 4.676 4.340 0.002 0.000 0.310 669 R C -0.163 175.692 176.300 -0.742 0.000 0.968 669 R CA -1.047 54.854 56.100 -0.332 0.000 0.867 669 R CB 0.635 30.734 30.300 -0.334 0.000 1.124 669 R HN 0.720 nan 8.270 nan 0.000 0.450 670 F N -0.200 119.706 119.950 -0.072 0.000 2.926 670 F HA -0.383 4.146 4.527 0.002 0.000 0.236 670 F C 0.048 175.808 175.800 -0.067 0.000 1.013 670 F CA 0.432 58.381 58.000 -0.084 0.000 0.826 670 F CB -2.260 36.660 39.000 -0.133 0.000 0.695 670 F HN 0.708 nan 8.300 nan 0.000 0.810 671 N N -0.584 118.064 118.700 -0.088 0.000 2.693 671 N HA -0.251 4.490 4.740 0.002 0.000 0.249 671 N C 0.734 176.190 175.510 -0.091 0.000 1.119 671 N CA 1.752 54.759 53.050 -0.071 0.000 0.717 671 N CB -0.560 37.923 38.487 -0.006 0.000 1.071 671 N HN 0.867 nan 8.380 nan 0.000 0.555 672 K N -1.215 119.047 120.400 -0.229 0.000 2.574 672 K HA 0.321 4.642 4.320 0.002 0.000 0.215 672 K C -0.170 176.312 176.600 -0.196 0.000 1.485 672 K CA 0.181 56.370 56.287 -0.164 0.000 1.006 672 K CB 1.259 33.733 32.500 -0.045 0.000 1.254 672 K HN 0.106 nan 8.250 nan 0.000 0.580 673 I N 2.667 123.015 120.570 -0.371 0.000 2.411 673 I HA 0.258 4.429 4.170 0.002 0.000 0.284 673 I C -0.884 175.120 176.117 -0.188 0.000 1.012 673 I CA -0.681 60.480 61.300 -0.232 0.000 1.119 673 I CB 1.800 39.647 38.000 -0.255 0.000 1.261 673 I HN -0.026 nan 8.210 nan 0.000 0.448 674 L N 7.522 128.670 121.223 -0.125 0.000 2.290 674 L HA 0.484 4.825 4.340 0.002 0.000 0.284 674 L C -0.744 175.970 176.870 -0.259 0.000 1.078 674 L CA -0.495 54.226 54.840 -0.198 0.000 0.815 674 L CB 1.280 43.207 42.059 -0.221 0.000 1.162 674 L HN 0.320 nan 8.230 nan 0.000 0.435 675 V N 6.315 125.984 119.914 -0.409 0.000 2.378 675 V HA 0.428 4.550 4.120 0.002 0.000 0.288 675 V C -0.066 175.755 176.094 -0.454 0.000 1.016 675 V CA -0.578 61.429 62.300 -0.488 0.000 0.840 675 V CB 1.683 32.981 31.823 -0.875 0.000 0.994 675 V HN 0.449 nan 8.190 nan 0.000 0.431 676 I N 6.354 126.765 120.570 -0.265 0.000 2.418 676 I HA 0.552 4.723 4.170 0.002 0.000 0.287 676 I C -0.388 175.667 176.117 -0.103 0.000 1.008 676 I CA -0.439 60.752 61.300 -0.181 0.000 1.104 676 I CB 1.723 39.635 38.000 -0.147 0.000 1.264 676 I HN 0.472 nan 8.210 nan 0.000 0.438 677 I N 6.299 126.828 120.570 -0.068 0.000 2.545 677 I HA 0.288 4.459 4.170 0.002 0.000 0.292 677 I C -0.060 176.050 176.117 -0.012 0.000 1.040 677 I CA -0.736 60.567 61.300 0.006 0.000 1.068 677 I CB 2.359 40.401 38.000 0.070 0.000 1.251 677 I HN 0.518 nan 8.210 nan 0.000 0.424 678 K N 3.345 123.767 120.400 0.038 0.000 2.183 678 K HA 0.397 4.718 4.320 0.002 0.000 0.274 678 K C 0.403 177.069 176.600 0.110 0.000 1.009 678 K CA -0.506 55.789 56.287 0.013 0.000 0.888 678 K CB 1.436 33.988 32.500 0.087 0.000 1.078 678 K HN 0.697 nan 8.250 nan 0.000 0.459 679 T N -0.217 114.355 114.554 0.030 0.000 3.054 679 T HA -0.006 4.345 4.350 0.002 0.000 0.259 679 T C 0.505 175.438 174.700 0.389 0.000 1.092 679 T CA 0.287 62.425 62.100 0.062 0.000 1.121 679 T CB 0.047 68.761 68.868 -0.257 0.000 0.912 679 T HN 0.614 nan 8.240 nan 0.000 0.489 680 K N 1.291 121.842 120.400 0.251 0.000 2.299 680 K HA 0.514 4.835 4.320 0.002 0.000 0.268 680 K C 1.414 178.088 176.600 0.122 0.000 1.075 680 K CA -0.441 55.883 56.287 0.061 0.000 0.936 680 K CB 0.566 32.908 32.500 -0.263 0.000 1.228 680 K HN 0.186 nan 8.250 nan 0.000 0.454 681 G N 1.333 110.208 108.800 0.126 0.000 2.432 681 G HA2 -0.226 3.735 3.960 0.002 0.000 0.219 681 G HA3 -0.226 3.735 3.960 0.002 0.000 0.219 681 G C 1.142 176.076 174.900 0.056 0.000 1.135 681 G CA 0.954 46.119 45.100 0.108 0.000 0.767 681 G HN 0.664 nan 8.290 nan 0.000 0.550 682 S N -0.791 114.896 115.700 -0.022 0.000 2.603 682 S HA 0.330 4.801 4.470 0.002 0.000 0.220 682 S C 0.419 174.983 174.600 -0.061 0.000 0.967 682 S CA -0.197 57.993 58.200 -0.016 0.000 0.920 682 S CB 0.283 63.425 63.200 -0.096 0.000 0.773 682 S HN 0.018 nan 8.310 nan 0.000 0.529 683 V N 2.487 122.342 119.914 -0.098 0.000 2.680 683 V HA 0.456 4.577 4.120 0.002 0.000 0.309 683 V C -0.800 175.111 176.094 -0.305 0.000 1.052 683 V CA -1.127 61.021 62.300 -0.254 0.000 0.908 683 V CB 1.839 33.407 31.823 -0.425 0.000 1.001 683 V HN 0.280 nan 8.190 nan 0.000 0.431 684 N N 2.247 120.738 118.700 -0.349 0.000 2.430 684 N HA 0.557 5.298 4.740 0.002 0.000 0.292 684 N C -1.261 173.998 175.510 -0.418 0.000 1.051 684 N CA -0.236 52.681 53.050 -0.222 0.000 0.917 684 N CB 1.644 40.073 38.487 -0.097 0.000 1.164 684 N HN 0.554 nan 8.380 nan 0.000 0.484 685 Y N 0.086 120.381 120.300 -0.009 0.000 2.549 685 Y HA 0.464 5.016 4.550 0.002 0.000 0.339 685 Y C 0.532 176.426 175.900 -0.011 0.000 1.053 685 Y CA -0.763 57.330 58.100 -0.012 0.000 1.105 685 Y CB 1.955 40.408 38.460 -0.013 0.000 1.258 685 Y HN 0.179 nan 8.280 nan 0.000 0.478 686 K N 2.060 122.548 120.400 0.147 0.000 2.427 686 K HA 0.672 4.993 4.320 0.002 0.000 0.252 686 K C -2.104 174.535 176.600 0.066 0.000 0.931 686 K CA -0.702 55.629 56.287 0.075 0.000 0.793 686 K CB 2.003 34.526 32.500 0.039 0.000 1.211 686 K HN 0.744 nan 8.250 nan 0.000 0.426 687 L N 3.251 124.492 121.223 0.031 0.000 2.436 687 L HA 0.457 4.798 4.340 0.002 0.000 0.268 687 L C -1.019 175.850 176.870 -0.002 0.000 0.974 687 L CA -0.884 53.963 54.840 0.011 0.000 0.826 687 L CB 1.653 43.703 42.059 -0.015 0.000 1.291 687 L HN 0.498 nan 8.230 nan 0.000 0.406 688 K N 5.184 125.587 120.400 0.005 0.000 2.297 688 K HA 0.415 4.736 4.320 0.002 0.000 0.286 688 K C -0.520 176.083 176.600 0.005 0.000 1.053 688 K CA -0.180 56.112 56.287 0.009 0.000 0.940 688 K CB 1.084 33.593 32.500 0.016 0.000 1.019 688 K HN 0.555 nan 8.250 nan 0.000 0.475 689 L N 2.064 123.297 121.223 0.016 0.000 2.454 689 L HA 0.212 4.553 4.340 0.002 0.000 0.256 689 L C 0.710 177.622 176.870 0.070 0.000 1.136 689 L CA -0.873 53.991 54.840 0.040 0.000 0.804 689 L CB 0.487 42.592 42.059 0.076 0.000 1.181 689 L HN 0.451 nan 8.230 nan 0.000 0.469 690 E N 0.601 120.863 120.200 0.104 0.000 2.418 690 E HA 0.016 4.367 4.350 0.002 0.000 0.261 690 E C -0.611 176.027 176.600 0.063 0.000 1.070 690 E CA 0.166 56.613 56.400 0.077 0.000 0.931 690 E CB 0.232 29.981 29.700 0.081 0.000 0.954 690 E HN 0.279 nan 8.360 nan 0.000 0.439 691 E N 0.865 121.087 120.200 0.036 0.000 2.415 691 E HA 0.148 4.499 4.350 0.002 0.000 0.260 691 E C 0.970 177.577 176.600 0.011 0.000 1.016 691 E CA 0.714 57.127 56.400 0.023 0.000 0.924 691 E CB 0.219 29.928 29.700 0.015 0.000 0.961 691 E HN 0.764 nan 8.360 nan 0.000 0.459 692 G N 3.034 111.839 108.800 0.009 0.000 2.417 692 G HA2 -0.400 3.561 3.960 0.002 0.000 0.233 692 G HA3 -0.400 3.561 3.960 0.002 0.000 0.233 692 G C 0.556 175.437 174.900 -0.032 0.000 1.103 692 G CA -0.077 45.017 45.100 -0.009 0.000 0.647 692 G HN 0.863 nan 8.290 nan 0.000 0.512 693 A N 0.720 123.514 122.820 -0.043 0.000 2.567 693 A HA 0.493 4.814 4.320 0.002 0.000 0.240 693 A C 0.438 177.925 177.584 -0.161 0.000 1.053 693 A CA 0.883 52.830 52.037 -0.150 0.000 0.755 693 A CB -0.128 18.782 19.000 -0.149 0.000 0.978 693 A HN 0.965 nan 8.150 nan 0.000 0.507 694 I N 1.954 122.356 120.570 -0.281 0.000 2.493 694 I HA 0.529 4.700 4.170 0.002 0.000 0.298 694 I C -0.765 175.159 176.117 -0.321 0.000 0.998 694 I CA -0.463 60.743 61.300 -0.158 0.000 1.137 694 I CB 1.549 39.498 38.000 -0.084 0.000 1.310 694 I HN 0.674 nan 8.210 nan 0.000 0.445 695 Y N 1.980 122.273 120.300 -0.011 0.000 2.605 695 Y HA 0.566 5.117 4.550 0.002 0.000 0.343 695 Y C -0.064 175.831 175.900 -0.008 0.000 1.036 695 Y CA -0.844 57.247 58.100 -0.014 0.000 1.065 695 Y CB 2.344 40.791 38.460 -0.023 0.000 1.288 695 Y HN 0.318 nan 8.280 nan 0.000 0.481 696 T N 1.143 115.801 114.554 0.174 0.000 2.841 696 T HA 0.134 4.485 4.350 0.002 0.000 0.285 696 T C -1.402 173.344 174.700 0.077 0.000 0.991 696 T CA -0.808 61.349 62.100 0.095 0.000 0.966 696 T CB 0.931 69.838 68.868 0.065 0.000 0.962 696 T HN 0.466 nan 8.240 nan 0.000 0.438 697 D N 3.200 123.626 120.400 0.044 0.000 2.338 697 D HA 0.096 4.737 4.640 0.002 0.000 0.255 697 D C 1.310 177.617 176.300 0.011 0.000 1.237 697 D CA -0.238 53.767 54.000 0.009 0.000 0.883 697 D CB 1.237 42.024 40.800 -0.022 0.000 1.087 697 D HN 0.208 nan 8.370 nan 0.000 0.485 698 V N 4.880 124.803 119.914 0.016 0.000 2.469 698 V HA -0.237 3.884 4.120 0.002 0.000 0.251 698 V C 2.330 178.440 176.094 0.026 0.000 1.064 698 V CA 1.353 63.667 62.300 0.022 0.000 1.066 698 V CB -0.345 31.490 31.823 0.019 0.000 0.667 698 V HN 0.612 nan 8.190 nan 0.000 0.461 699 L N 0.106 121.332 121.223 0.004 0.000 2.168 699 L HA -0.033 4.308 4.340 0.002 0.000 0.203 699 L C 2.566 179.379 176.870 -0.095 0.000 1.078 699 L CA 1.767 56.634 54.840 0.045 0.000 0.780 699 L CB -0.680 41.388 42.059 0.015 0.000 0.939 699 L HN 0.531 nan 8.230 nan 0.000 0.451 700 T N -4.523 109.895 114.554 -0.227 0.000 3.037 700 T HA 0.238 4.589 4.350 0.002 0.000 0.251 700 T C 1.537 176.206 174.700 -0.050 0.000 1.079 700 T CA 0.553 62.456 62.100 -0.328 0.000 1.067 700 T CB 0.746 69.415 68.868 -0.333 0.000 0.948 700 T HN 0.411 nan 8.240 nan 0.000 0.496 701 G N 1.483 110.283 108.800 0.000 0.000 2.205 701 G HA2 -0.264 3.697 3.960 0.002 0.000 0.261 701 G HA3 -0.264 3.697 3.960 0.002 0.000 0.261 701 G C -0.115 174.808 174.900 0.038 0.000 0.980 701 G CA 0.229 45.355 45.100 0.044 0.000 0.632 701 G HN 0.682 nan 8.290 nan 0.000 0.533 702 E N 0.736 120.949 120.200 0.022 0.000 2.418 702 E HA 0.327 4.678 4.350 0.002 0.000 0.261 702 E C 0.366 176.989 176.600 0.039 0.000 1.070 702 E CA 0.011 56.429 56.400 0.030 0.000 0.931 702 E CB 0.660 30.372 29.700 0.019 0.000 0.954 702 E HN 0.443 nan 8.360 nan 0.000 0.439 703 E N 2.855 123.081 120.200 0.043 0.000 2.167 703 E HA 0.137 4.488 4.350 0.002 0.000 0.284 703 E C -0.836 175.800 176.600 0.061 0.000 1.016 703 E CA -0.524 55.908 56.400 0.053 0.000 0.817 703 E CB 0.551 30.276 29.700 0.043 0.000 1.080 703 E HN 0.286 nan 8.360 nan 0.000 0.397 704 I N 5.069 125.695 120.570 0.093 0.000 2.404 704 I HA 0.357 4.528 4.170 0.002 0.000 0.293 704 I C -0.126 176.084 176.117 0.155 0.000 0.992 704 I CA -0.519 60.840 61.300 0.099 0.000 1.149 704 I CB 1.110 39.152 38.000 0.070 0.000 1.315 704 I HN 0.588 nan 8.210 nan 0.000 0.446 705 K N 4.593 125.059 120.400 0.109 0.000 2.587 705 K HA 0.443 4.764 4.320 0.002 0.000 0.276 705 K C -0.087 176.557 176.600 0.074 0.000 0.956 705 K CA -0.913 55.443 56.287 0.115 0.000 0.857 705 K CB 2.712 35.259 32.500 0.077 0.000 1.431 705 K HN 0.422 nan 8.250 nan 0.000 0.420 706 K N -0.123 120.321 120.400 0.074 0.000 9.641 706 K HA -0.364 3.957 4.320 0.002 0.000 0.509 706 K C -0.865 175.758 176.600 0.037 0.000 0.371 706 K CA 2.523 58.839 56.287 0.049 0.000 1.955 706 K CB -1.002 31.520 32.500 0.035 0.000 0.718 706 K HN 0.948 nan 8.250 nan 0.000 1.078 707 E N -0.031 120.186 120.200 0.028 0.000 2.413 707 E HA 0.639 4.990 4.350 0.002 0.000 0.277 707 E C -1.435 175.167 176.600 0.004 0.000 0.958 707 E CA -0.899 55.509 56.400 0.013 0.000 0.779 707 E CB 2.596 32.305 29.700 0.016 0.000 1.278 707 E HN 0.123 nan 8.360 nan 0.000 0.456 708 V N 1.245 121.153 119.914 -0.010 0.000 2.760 708 V HA 0.339 4.460 4.120 0.002 0.000 0.309 708 V C -1.552 174.543 176.094 0.001 0.000 1.077 708 V CA -0.406 61.884 62.300 -0.017 0.000 0.910 708 V CB 2.023 33.809 31.823 -0.061 0.000 1.008 708 V HN 0.787 nan 8.190 nan 0.000 0.424 709 Q N 5.109 124.916 119.800 0.011 0.000 2.241 709 Q HA 0.596 4.937 4.340 0.002 0.000 0.254 709 Q C -1.244 174.778 176.000 0.037 0.000 0.917 709 Q CA -0.472 55.348 55.803 0.029 0.000 0.919 709 Q CB 2.396 31.149 28.738 0.025 0.000 1.237 709 Q HN 0.670 nan 8.270 nan 0.000 0.434 710 I N 2.797 123.409 120.570 0.071 0.000 2.337 710 I HA 0.175 4.346 4.170 0.002 0.000 0.285 710 I C -0.027 176.152 176.117 0.104 0.000 1.041 710 I CA 0.104 61.456 61.300 0.086 0.000 1.199 710 I CB 0.767 38.833 38.000 0.110 0.000 1.370 710 I HN 0.601 nan 8.210 nan 0.000 0.470 711 N N 2.982 121.728 118.700 0.078 0.000 1.784 711 N HA 0.178 4.919 4.740 0.002 0.000 0.206 711 N C 0.949 176.514 175.510 0.091 0.000 1.201 711 N CA -0.073 53.022 53.050 0.075 0.000 1.029 711 N CB 0.145 38.669 38.487 0.061 0.000 1.344 711 N HN 0.422 nan 8.380 nan 0.000 0.412 712 E N -0.279 119.976 120.200 0.093 0.000 2.299 712 E HA 0.135 4.486 4.350 0.002 0.000 0.193 712 E C -0.437 176.239 176.600 0.127 0.000 0.998 712 E CA 0.596 57.063 56.400 0.111 0.000 0.851 712 E CB 0.319 30.092 29.700 0.121 0.000 0.795 712 E HN 0.142 nan 8.360 nan 0.000 0.492 713 L N 1.148 122.436 121.223 0.108 0.000 2.333 713 L HA 0.445 4.786 4.340 0.002 0.000 0.269 713 L C -2.283 174.631 176.870 0.072 0.000 1.010 713 L CA -2.432 52.468 54.840 0.100 0.000 0.818 713 L CB 0.988 43.092 42.059 0.075 0.000 1.306 713 L HN -0.127 nan 8.230 nan 0.000 0.430 714 P HA 0.261 nan 4.420 nan 0.000 0.274 714 P C -0.801 176.501 177.300 0.003 0.000 1.231 714 P CA -0.638 62.489 63.100 0.045 0.000 0.790 714 P CB 0.945 32.684 31.700 0.065 0.000 0.951 715 R N 2.420 122.900 120.500 -0.033 0.000 2.215 715 R HA 0.433 4.774 4.340 0.002 0.000 0.336 715 R C -0.314 175.931 176.300 -0.091 0.000 0.996 715 R CA -0.737 55.324 56.100 -0.065 0.000 0.847 715 R CB 0.548 30.794 30.300 -0.089 0.000 1.127 715 R HN 0.445 nan 8.270 nan 0.000 0.465 716 I N 5.453 125.985 120.570 -0.064 0.000 2.337 716 I HA 0.248 4.419 4.170 0.002 0.000 0.285 716 I C -0.404 175.687 176.117 -0.044 0.000 1.041 716 I CA -1.053 60.214 61.300 -0.056 0.000 1.199 716 I CB 0.881 38.876 38.000 -0.009 0.000 1.370 716 I HN 0.185 nan 8.210 nan 0.000 0.470 717 L N 6.872 128.051 121.223 -0.073 0.000 2.305 717 L HA 0.419 4.760 4.340 0.002 0.000 0.284 717 L C 0.014 176.943 176.870 0.099 0.000 1.013 717 L CA -0.553 54.277 54.840 -0.018 0.000 0.819 717 L CB 1.710 43.648 42.059 -0.202 0.000 1.227 717 L HN 0.274 nan 8.230 nan 0.000 0.417 718 V N 5.600 125.597 119.914 0.138 0.000 2.385 718 V HA 0.411 4.532 4.120 0.002 0.000 0.269 718 V C 0.616 176.795 176.094 0.142 0.000 1.043 718 V CA -0.700 61.670 62.300 0.117 0.000 0.906 718 V CB 0.884 32.752 31.823 0.074 0.000 0.995 718 V HN 0.831 nan 8.190 nan 0.000 0.467 719 R N 5.538 126.089 120.500 0.085 0.000 2.502 719 R HA 0.218 4.559 4.340 0.002 0.000 0.292 719 R C -0.082 176.134 176.300 -0.139 0.000 0.998 719 R CA 0.246 56.246 56.100 -0.167 0.000 1.056 719 R CB 0.428 30.637 30.300 -0.151 0.000 0.939 719 R HN 0.881 nan 8.270 nan 0.000 0.411 720 M N 0.000 119.477 119.600 -0.205 0.000 2.572 720 M HA 0.000 4.481 4.480 0.002 0.000 0.227 720 M CA 0.000 55.233 55.300 -0.112 0.000 0.988 720 M CB 0.000 32.556 32.600 -0.074 0.000 1.302 720 M HN 0.000 nan 8.290 nan 0.000 0.411