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 3cvk_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 1 S CB 0.000 63.171 63.200 -0.048 0.000 0.593 2 M N 3.179 122.745 119.600 -0.057 0.000 2.238 2 M HA 0.239 4.719 4.480 0.000 0.000 0.350 2 M C 1.923 178.114 176.300 -0.182 0.000 1.321 2 M CA 0.072 55.322 55.300 -0.082 0.000 1.097 2 M CB 0.466 33.032 32.600 -0.056 0.000 1.713 2 M HN 1.052 nan 8.290 nan 0.000 0.455 3 S N 2.904 118.430 115.700 -0.290 0.000 2.383 3 S HA -0.104 4.367 4.470 0.000 0.000 0.229 3 S C 0.103 174.272 174.600 -0.719 0.000 1.030 3 S CA 0.991 58.883 58.200 -0.514 0.000 1.002 3 S CB -0.209 62.602 63.200 -0.648 0.000 0.829 3 S HN 0.642 nan 8.310 nan 0.000 0.467 4 Y N -0.121 119.992 120.300 -0.311 0.000 2.534 4 Y HA 0.570 5.120 4.550 0.000 0.000 0.345 4 Y C -0.215 175.335 175.900 -0.583 0.000 1.031 4 Y CA -1.011 56.758 58.100 -0.552 0.000 1.022 4 Y CB 2.032 39.977 38.460 -0.857 0.000 1.292 4 Y HN -0.154 nan 8.280 nan 0.000 0.459 5 T N 1.639 115.911 114.554 -0.471 0.000 2.841 5 T HA 0.429 4.780 4.350 0.000 0.000 0.283 5 T C -1.395 173.021 174.700 -0.473 0.000 1.000 5 T CA -0.779 61.108 62.100 -0.355 0.000 0.977 5 T CB 0.598 69.392 68.868 -0.123 0.000 0.979 5 T HN 0.455 nan 8.240 nan 0.000 0.446 6 W N 1.280 122.630 121.300 0.084 0.000 2.632 6 W HA 0.379 5.039 4.660 0.000 0.000 0.328 6 W C 1.526 178.070 176.519 0.042 0.000 1.044 6 W CA -0.990 56.388 57.345 0.055 0.000 1.225 6 W CB 1.038 30.514 29.460 0.026 0.000 1.396 6 W HN 0.782 nan 8.180 nan 0.000 0.499 7 T N -1.651 113.074 114.554 0.285 0.000 3.055 7 T HA 0.215 4.565 4.350 0.000 0.000 0.265 7 T C 1.585 176.369 174.700 0.139 0.000 1.111 7 T CA 0.973 63.173 62.100 0.167 0.000 1.118 7 T CB -0.169 68.777 68.868 0.130 0.000 0.909 7 T HN 1.179 nan 8.240 nan 0.000 0.501 8 G N 1.296 110.191 108.800 0.158 0.000 2.234 8 G HA2 -0.066 3.894 3.960 0.000 0.000 0.235 8 G HA3 -0.066 3.894 3.960 0.000 0.000 0.235 8 G C 0.423 175.346 174.900 0.039 0.000 0.997 8 G CA -0.092 45.053 45.100 0.076 0.000 0.623 8 G HN 1.214 nan 8.290 nan 0.000 0.514 9 A N 0.822 123.678 122.820 0.060 0.000 2.483 9 A HA 0.599 4.919 4.320 0.000 0.000 0.238 9 A C 0.788 178.378 177.584 0.009 0.000 1.070 9 A CA 0.313 52.372 52.037 0.036 0.000 0.770 9 A CB 0.160 19.191 19.000 0.051 0.000 1.008 9 A HN 0.949 nan 8.150 nan 0.000 0.497 10 L N 1.991 123.208 121.223 -0.011 0.000 2.395 10 L HA 0.293 4.634 4.340 0.000 0.000 0.269 10 L C 0.058 176.909 176.870 -0.032 0.000 1.133 10 L CA -0.355 54.461 54.840 -0.041 0.000 0.812 10 L CB 0.736 42.774 42.059 -0.035 0.000 1.125 10 L HN 0.555 nan 8.230 nan 0.000 0.452 11 I N 1.841 122.373 120.570 -0.062 0.000 2.533 11 I HA 0.074 4.244 4.170 0.000 0.000 0.284 11 I C 0.574 176.681 176.117 -0.017 0.000 1.109 11 I CA 0.171 61.449 61.300 -0.036 0.000 1.412 11 I CB 0.732 38.695 38.000 -0.062 0.000 1.396 11 I HN 0.665 nan 8.210 nan 0.000 0.543 12 T N 4.646 119.202 114.554 0.002 0.000 2.912 12 T HA 0.622 4.972 4.350 0.000 0.000 0.288 12 T C -2.530 172.185 174.700 0.025 0.000 1.030 12 T CA -2.065 60.041 62.100 0.010 0.000 1.020 12 T CB 1.981 70.854 68.868 0.009 0.000 1.056 12 T HN 0.254 nan 8.240 nan 0.000 0.480 13 P HA 0.393 nan 4.420 nan 0.000 0.277 13 P C 0.092 177.414 177.300 0.037 0.000 1.271 13 P CA -0.685 62.437 63.100 0.037 0.000 0.795 13 P CB 0.831 32.552 31.700 0.035 0.000 1.101 14 C N -0.337 118.989 119.300 0.043 0.000 2.587 14 C HA 0.443 4.903 4.460 0.000 0.000 0.287 14 C C 1.566 176.576 174.990 0.033 0.000 1.374 14 C CA 1.076 60.117 59.018 0.038 0.000 1.770 14 C CB -0.606 27.161 27.740 0.045 0.000 2.137 14 C HN 0.654 nan 8.230 nan 0.000 0.550 15 A N 0.253 123.096 122.820 0.037 0.000 2.452 15 A HA 0.785 5.105 4.320 0.000 0.000 0.285 15 A C -0.060 177.550 177.584 0.043 0.000 1.209 15 A CA 0.248 52.309 52.037 0.038 0.000 0.940 15 A CB -0.311 18.715 19.000 0.043 0.000 1.440 15 A HN 0.599 nan 8.150 nan 0.000 0.480 16 A N -0.433 122.415 122.820 0.047 0.000 2.445 16 A HA 0.500 4.820 4.320 0.000 0.000 0.242 16 A C -0.092 177.535 177.584 0.071 0.000 1.075 16 A CA 0.058 52.127 52.037 0.053 0.000 0.777 16 A CB -0.193 18.837 19.000 0.051 0.000 1.013 16 A HN 0.681 nan 8.150 nan 0.000 0.493 17 E N 0.930 121.176 120.200 0.077 0.000 2.187 17 E HA 0.342 4.692 4.350 0.000 0.000 0.268 17 E C -1.044 175.637 176.600 0.136 0.000 0.896 17 E CA -0.400 56.059 56.400 0.099 0.000 0.766 17 E CB 1.709 31.455 29.700 0.078 0.000 1.142 17 E HN 0.719 nan 8.360 nan 0.000 0.408 18 E N 1.064 121.389 120.200 0.208 0.000 2.197 18 E HA 0.144 4.494 4.350 0.000 0.000 0.281 18 E C 0.193 177.022 176.600 0.381 0.000 0.995 18 E CA -0.187 56.385 56.400 0.287 0.000 0.808 18 E CB 1.400 31.315 29.700 0.358 0.000 1.093 18 E HN 0.551 nan 8.360 nan 0.000 0.394 19 S N 2.251 118.147 115.700 0.328 0.000 2.539 19 S HA 0.112 4.582 4.470 0.000 0.000 0.226 19 S C 0.712 175.580 174.600 0.448 0.000 1.054 19 S CA -0.227 58.184 58.200 0.353 0.000 0.910 19 S CB 0.372 63.717 63.200 0.242 0.000 0.818 19 S HN 0.156 nan 8.310 nan 0.000 0.490 20 K N 2.201 122.788 120.400 0.312 0.000 2.322 20 K HA 0.280 4.600 4.320 0.000 0.000 0.283 20 K C -0.468 176.165 176.600 0.054 0.000 1.042 20 K CA -0.586 55.825 56.287 0.207 0.000 0.958 20 K CB 1.121 33.679 32.500 0.096 0.000 0.984 20 K HN 0.360 nan 8.250 nan 0.000 0.473 21 L N 6.555 127.816 121.223 0.063 0.000 2.660 21 L HA 0.003 4.343 4.340 0.000 0.000 0.272 21 L C -2.206 174.417 176.870 -0.412 0.000 1.194 21 L CA -0.452 54.235 54.840 -0.255 0.000 0.945 21 L CB -0.137 41.930 42.059 0.012 0.000 1.212 21 L HN 0.408 nan 8.230 nan 0.000 0.490 22 P HA 0.279 nan 4.420 nan 0.000 0.275 22 P C -1.083 175.987 177.300 -0.383 0.000 1.228 22 P CA -0.124 62.683 63.100 -0.488 0.000 0.786 22 P CB 0.689 32.037 31.700 -0.588 0.000 0.927 23 I N 2.400 122.798 120.570 -0.287 0.000 2.499 23 I HA 0.341 4.511 4.170 0.000 0.000 0.288 23 I C 0.106 176.110 176.117 -0.188 0.000 1.048 23 I CA -0.695 60.440 61.300 -0.276 0.000 1.062 23 I CB 1.547 39.365 38.000 -0.302 0.000 1.238 23 I HN 0.476 nan 8.210 nan 0.000 0.426 24 N N 4.353 122.957 118.700 -0.160 0.000 3.201 24 N HA 0.489 5.229 4.740 0.000 0.000 0.344 24 N C 0.604 176.066 175.510 -0.081 0.000 1.465 24 N CA -0.386 52.599 53.050 -0.109 0.000 0.731 24 N CB 0.502 38.926 38.487 -0.104 0.000 1.677 24 N HN 0.382 nan 8.380 nan 0.000 0.631 25 A N -0.600 122.185 122.820 -0.058 0.000 2.070 25 A HA 0.065 4.386 4.320 0.000 0.000 0.220 25 A C 1.728 179.293 177.584 -0.032 0.000 1.159 25 A CA 1.007 53.020 52.037 -0.040 0.000 0.656 25 A CB -0.978 18.001 19.000 -0.034 0.000 0.800 25 A HN 0.544 nan 8.150 nan 0.000 0.453 26 L N -1.226 119.976 121.223 -0.036 0.000 2.585 26 L HA 0.055 4.395 4.340 0.000 0.000 0.226 26 L C 2.377 179.270 176.870 0.040 0.000 1.113 26 L CA 0.346 55.184 54.840 -0.005 0.000 0.876 26 L CB -0.023 42.015 42.059 -0.035 0.000 1.072 26 L HN 0.211 nan 8.230 nan 0.000 0.468 27 S N 0.466 116.159 115.700 -0.012 0.000 2.348 27 S HA -0.129 4.341 4.470 0.000 0.000 0.221 27 S C 1.728 176.366 174.600 0.063 0.000 1.033 27 S CA 1.318 59.503 58.200 -0.024 0.000 1.010 27 S CB -0.226 62.869 63.200 -0.174 0.000 0.891 27 S HN 0.456 nan 8.310 nan 0.000 0.442 28 N N 1.747 120.505 118.700 0.096 0.000 2.272 28 N HA -0.085 4.655 4.740 0.000 0.000 0.185 28 N C 1.881 177.425 175.510 0.056 0.000 1.014 28 N CA 1.375 54.504 53.050 0.132 0.000 0.870 28 N CB -0.551 37.998 38.487 0.102 0.000 0.975 28 N HN 0.573 nan 8.380 nan 0.000 0.433 29 S N -0.226 115.496 115.700 0.037 0.000 2.447 29 S HA -0.064 4.406 4.470 0.000 0.000 0.233 29 S C 1.803 176.426 174.600 0.039 0.000 1.006 29 S CA 0.495 58.692 58.200 -0.005 0.000 0.957 29 S CB -0.135 63.069 63.200 0.006 0.000 0.773 29 S HN 0.239 nan 8.310 nan 0.000 0.507 30 L N -0.230 121.035 121.223 0.071 0.000 2.362 30 L HA 0.605 4.945 4.340 0.000 0.000 0.204 30 L C 0.097 177.029 176.870 0.103 0.000 1.060 30 L CA 0.754 55.641 54.840 0.079 0.000 0.827 30 L CB 0.308 42.188 42.059 -0.299 0.000 1.027 30 L HN 0.496 nan 8.230 nan 0.000 0.474 31 L N -1.052 120.217 121.223 0.077 0.000 2.543 31 L HA 0.407 4.747 4.340 0.000 0.000 0.265 31 L C 0.237 177.147 176.870 0.067 0.000 0.945 31 L CA -0.551 54.324 54.840 0.059 0.000 0.869 31 L CB 1.276 43.388 42.059 0.088 0.000 1.294 31 L HN -0.124 nan 8.230 nan 0.000 0.405 32 R N 1.215 121.625 120.500 -0.149 0.000 2.128 32 R HA 0.163 4.504 4.340 0.000 0.000 0.211 32 R C 0.135 176.141 176.300 -0.490 0.000 1.067 32 R CA 0.709 56.622 56.100 -0.311 0.000 1.010 32 R CB -0.127 30.034 30.300 -0.233 0.000 0.922 32 R HN 0.673 nan 8.270 nan 0.000 0.457 33 H N 0.610 119.548 119.070 -0.220 0.000 2.799 33 H HA 0.113 4.669 4.556 0.000 0.000 0.225 33 H C 0.644 175.950 175.328 -0.037 0.000 1.904 33 H CA -0.250 55.707 56.048 -0.152 0.000 1.344 33 H CB -0.204 29.531 29.762 -0.045 0.000 1.744 33 H HN 0.364 nan 8.280 nan 0.000 0.542 34 H N 0.631 119.788 119.070 0.145 0.000 2.387 34 H HA -0.133 4.423 4.556 0.000 0.000 0.299 34 H C 1.436 176.836 175.328 0.120 0.000 1.099 34 H CA 0.662 56.771 56.048 0.102 0.000 1.315 34 H CB 0.289 30.087 29.762 0.060 0.000 1.380 34 H HN 0.538 nan 8.280 nan 0.000 0.513 35 N N 0.325 119.151 118.700 0.209 0.000 2.571 35 N HA -0.063 4.677 4.740 0.000 0.000 0.189 35 N C 1.208 176.817 175.510 0.165 0.000 1.154 35 N CA 0.488 53.634 53.050 0.161 0.000 0.907 35 N CB 0.177 38.723 38.487 0.098 0.000 0.977 35 N HN 0.409 nan 8.380 nan 0.000 0.449 36 M N 0.202 119.914 119.600 0.187 0.000 2.349 36 M HA 0.071 4.551 4.480 0.000 0.000 0.266 36 M C 0.450 176.918 176.300 0.281 0.000 1.076 36 M CA 0.464 55.883 55.300 0.199 0.000 1.126 36 M CB -0.186 32.525 32.600 0.185 0.000 1.392 36 M HN -0.251 nan 8.290 nan 0.000 0.440 37 V N 1.302 121.388 119.914 0.288 0.000 2.481 37 V HA 0.297 4.418 4.120 0.000 0.000 0.286 37 V C -0.611 175.734 176.094 0.417 0.000 1.042 37 V CA -0.762 61.723 62.300 0.308 0.000 0.928 37 V CB 0.667 32.647 31.823 0.262 0.000 0.986 37 V HN 0.398 nan 8.190 nan 0.000 0.462 38 Y N 1.928 122.378 120.300 0.249 0.000 2.597 38 Y HA 0.898 5.448 4.550 0.000 0.000 0.340 38 Y C -0.469 175.524 175.900 0.154 0.000 1.097 38 Y CA -1.500 56.752 58.100 0.254 0.000 1.037 38 Y CB 1.420 39.991 38.460 0.185 0.000 1.305 38 Y HN 0.745 nan 8.280 nan 0.000 0.463 39 A N 1.719 124.591 122.820 0.087 0.000 2.337 39 A HA 0.689 5.009 4.320 0.000 0.000 0.329 39 A C 0.082 177.705 177.584 0.064 0.000 1.146 39 A CA -0.325 51.555 52.037 -0.262 0.000 0.800 39 A CB 0.421 18.982 19.000 -0.732 0.000 1.220 39 A HN 1.121 nan 8.150 nan 0.000 0.472 40 T N -0.105 114.480 114.554 0.053 0.000 2.856 40 T HA 0.538 4.888 4.350 0.000 0.000 0.306 40 T C 0.407 175.152 174.700 0.075 0.000 1.062 40 T CA 0.461 62.658 62.100 0.162 0.000 1.083 40 T CB 0.719 69.701 68.868 0.190 0.000 0.984 40 T HN 1.629 nan 8.240 nan 0.000 0.542 41 T N -2.459 112.147 114.554 0.088 0.000 2.841 41 T HA 0.469 4.819 4.350 0.000 0.000 0.296 41 T C 1.318 176.046 174.700 0.045 0.000 1.166 41 T CA -0.216 61.920 62.100 0.060 0.000 1.007 41 T CB 1.214 70.125 68.868 0.071 0.000 1.253 41 T HN 0.852 nan 8.240 nan 0.000 0.511 42 S N 0.158 115.878 115.700 0.034 0.000 2.465 42 S HA -0.125 4.345 4.470 0.000 0.000 0.241 42 S C 1.789 176.389 174.600 0.001 0.000 1.000 42 S CA 0.700 58.909 58.200 0.016 0.000 0.964 42 S CB -0.563 62.646 63.200 0.016 0.000 0.763 42 S HN 0.687 nan 8.310 nan 0.000 0.512 43 R N 1.692 122.200 120.500 0.013 0.000 2.276 43 R HA 0.145 4.485 4.340 0.000 0.000 0.203 43 R C 2.060 178.355 176.300 -0.007 0.000 1.017 43 R CA 0.970 57.072 56.100 0.003 0.000 1.010 43 R CB -0.288 30.023 30.300 0.017 0.000 0.900 43 R HN 0.674 nan 8.270 nan 0.000 0.469 44 S N -2.060 113.640 115.700 0.000 0.000 2.554 44 S HA 0.276 4.746 4.470 0.000 0.000 0.226 44 S C 1.636 176.215 174.600 -0.034 0.000 0.980 44 S CA 0.079 58.273 58.200 -0.010 0.000 0.939 44 S CB 0.883 64.094 63.200 0.017 0.000 0.832 44 S HN 0.194 nan 8.310 nan 0.000 0.486 45 A N 1.884 124.672 122.820 -0.053 0.000 1.969 45 A HA 0.254 4.574 4.320 0.000 0.000 0.218 45 A C 2.221 179.702 177.584 -0.171 0.000 1.169 45 A CA 1.345 53.326 52.037 -0.095 0.000 0.635 45 A CB -1.563 17.378 19.000 -0.098 0.000 0.810 45 A HN 0.660 nan 8.150 nan 0.000 0.445 46 G N 0.138 108.837 108.800 -0.169 0.000 2.442 46 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 46 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 46 G C 1.493 176.297 174.900 -0.161 0.000 1.141 46 G CA 1.101 46.077 45.100 -0.208 0.000 0.763 46 G HN 0.464 nan 8.290 nan 0.000 0.554 47 L N -0.364 120.800 121.223 -0.099 0.000 2.093 47 L HA 0.003 4.343 4.340 0.000 0.000 0.208 47 L C 2.877 179.716 176.870 -0.053 0.000 1.085 47 L CA 1.229 56.032 54.840 -0.062 0.000 0.755 47 L CB -0.380 41.656 42.059 -0.038 0.000 0.904 47 L HN 0.164 nan 8.230 nan 0.000 0.435 48 R N 0.539 121.000 120.500 -0.064 0.000 2.075 48 R HA -0.134 4.206 4.340 0.000 0.000 0.232 48 R C 2.273 178.538 176.300 -0.058 0.000 1.126 48 R CA 1.424 57.502 56.100 -0.036 0.000 0.963 48 R CB -0.300 29.984 30.300 -0.026 0.000 0.858 48 R HN 0.346 nan 8.270 nan 0.000 0.435 49 Q N 0.239 119.925 119.800 -0.190 0.000 2.045 49 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 49 Q C 1.962 177.928 176.000 -0.058 0.000 0.991 49 Q CA 1.748 57.371 55.803 -0.300 0.000 0.851 49 Q CB -0.220 28.014 28.738 -0.839 0.000 0.911 49 Q HN 0.180 nan 8.270 nan 0.000 0.418 50 K N 1.088 121.446 120.400 -0.070 0.000 2.052 50 K HA -0.239 4.081 4.320 0.000 0.000 0.215 50 K C 1.951 178.630 176.600 0.132 0.000 1.053 50 K CA 1.608 57.920 56.287 0.041 0.000 0.934 50 K CB -0.132 32.370 32.500 0.004 0.000 0.717 50 K HN 0.135 nan 8.250 nan 0.000 0.450 51 K N 0.269 120.738 120.400 0.115 0.000 2.097 51 K HA -0.108 4.212 4.320 0.000 0.000 0.206 51 K C 1.861 178.652 176.600 0.319 0.000 1.049 51 K CA 1.500 57.892 56.287 0.176 0.000 0.933 51 K CB 0.003 32.577 32.500 0.123 0.000 0.717 51 K HN 0.193 nan 8.250 nan 0.000 0.442 52 V N -1.704 118.377 119.914 0.278 0.000 3.649 52 V HA 0.081 4.201 4.120 0.000 0.000 0.275 52 V C 0.357 176.562 176.094 0.184 0.000 1.281 52 V CA 0.122 62.610 62.300 0.313 0.000 1.143 52 V CB 0.195 32.184 31.823 0.276 0.000 0.892 52 V HN -0.061 nan 8.190 nan 0.000 0.441 53 T N 4.526 119.251 114.554 0.284 0.000 2.832 53 T HA 0.707 5.057 4.350 0.000 0.000 0.313 53 T C -0.732 174.108 174.700 0.233 0.000 1.035 53 T CA -0.031 62.217 62.100 0.246 0.000 0.950 53 T CB -0.090 69.049 68.868 0.451 0.000 0.984 53 T HN 0.597 nan 8.240 nan 0.000 0.486 54 F N -0.289 119.756 119.950 0.159 0.000 2.686 54 F HA 0.696 5.224 4.527 0.000 0.000 0.311 54 F C -0.732 175.099 175.800 0.052 0.000 1.128 54 F CA -1.714 56.341 58.000 0.093 0.000 0.946 54 F CB 0.818 39.864 39.000 0.077 0.000 1.336 54 F HN 0.167 nan 8.300 nan 0.000 0.457 55 D N 0.750 121.313 120.400 0.272 0.000 2.341 55 D HA 0.458 5.098 4.640 0.000 0.000 0.245 55 D C -0.879 175.566 176.300 0.242 0.000 1.106 55 D CA 0.091 54.187 54.000 0.159 0.000 0.905 55 D CB 0.858 41.721 40.800 0.105 0.000 1.202 55 D HN 0.570 nan 8.370 nan 0.000 0.426 56 R N 1.832 122.412 120.500 0.134 0.000 2.562 56 R HA 0.631 4.971 4.340 0.000 0.000 0.298 56 R C -0.909 175.425 176.300 0.055 0.000 0.961 56 R CA -0.564 55.612 56.100 0.128 0.000 0.881 56 R CB 1.346 31.699 30.300 0.090 0.000 1.159 56 R HN 0.386 nan 8.270 nan 0.000 0.450 57 L N 1.710 122.959 121.223 0.043 0.000 2.346 57 L HA 0.558 4.899 4.340 0.000 0.000 0.274 57 L C -0.558 176.311 176.870 -0.001 0.000 1.007 57 L CA -0.696 54.151 54.840 0.012 0.000 0.818 57 L CB 2.194 44.256 42.059 0.006 0.000 1.284 57 L HN 0.459 nan 8.230 nan 0.000 0.424 58 Q N 1.710 121.499 119.800 -0.019 0.000 2.285 58 Q HA 0.576 4.916 4.340 0.000 0.000 0.269 58 Q C -1.827 174.145 176.000 -0.048 0.000 1.030 58 Q CA -0.482 55.300 55.803 -0.035 0.000 0.788 58 Q CB 2.802 31.504 28.738 -0.060 0.000 1.266 58 Q HN 0.403 nan 8.270 nan 0.000 0.438 59 V N 5.474 125.366 119.914 -0.036 0.000 2.407 59 V HA 0.454 4.574 4.120 0.000 0.000 0.291 59 V C -0.652 175.432 176.094 -0.016 0.000 1.018 59 V CA -0.566 61.712 62.300 -0.036 0.000 0.842 59 V CB 1.410 33.215 31.823 -0.031 0.000 0.996 59 V HN 0.694 nan 8.190 nan 0.000 0.426 60 L N 5.722 126.895 121.223 -0.084 0.000 2.313 60 L HA 0.640 4.980 4.340 0.000 0.000 0.283 60 L C -0.160 176.708 176.870 -0.003 0.000 1.013 60 L CA -0.537 54.199 54.840 -0.173 0.000 0.816 60 L CB 1.729 43.517 42.059 -0.451 0.000 1.236 60 L HN 0.705 nan 8.230 nan 0.000 0.419 61 D N 0.458 120.934 120.400 0.126 0.000 2.588 61 D HA 0.157 4.797 4.640 0.000 0.000 0.268 61 D C 0.124 176.494 176.300 0.117 0.000 1.176 61 D CA -0.536 53.533 54.000 0.115 0.000 1.080 61 D CB 0.921 41.799 40.800 0.130 0.000 1.186 61 D HN 0.381 nan 8.370 nan 0.000 0.619 62 D N -1.434 118.975 120.400 0.014 0.000 2.144 62 D HA -0.132 4.509 4.640 0.000 0.000 0.200 62 D C 1.812 178.109 176.300 -0.005 0.000 0.978 62 D CA 1.069 55.049 54.000 -0.034 0.000 0.833 62 D CB -0.019 40.706 40.800 -0.126 0.000 0.961 62 D HN 0.368 nan 8.370 nan 0.000 0.470 63 H N -0.793 118.336 119.070 0.098 0.000 2.352 63 H HA -0.174 4.382 4.556 0.000 0.000 0.299 63 H C 1.864 177.222 175.328 0.050 0.000 1.097 63 H CA 1.176 57.273 56.048 0.081 0.000 1.311 63 H CB -0.666 29.168 29.762 0.120 0.000 1.377 63 H HN 0.330 nan 8.280 nan 0.000 0.504 64 Y N 1.853 122.186 120.300 0.054 0.000 2.128 64 Y HA -0.229 4.321 4.550 0.000 0.000 0.284 64 Y C 2.663 178.503 175.900 -0.100 0.000 1.154 64 Y CA 1.680 59.688 58.100 -0.155 0.000 1.149 64 Y CB -0.081 38.197 38.460 -0.302 0.000 0.976 64 Y HN -0.037 nan 8.280 nan 0.000 0.505 65 R N -0.051 120.467 120.500 0.029 0.000 2.090 65 R HA -0.125 4.215 4.340 0.000 0.000 0.228 65 R C 1.762 178.013 176.300 -0.082 0.000 1.110 65 R CA 1.322 57.393 56.100 -0.049 0.000 0.973 65 R CB -0.314 30.012 30.300 0.045 0.000 0.869 65 R HN 0.379 nan 8.270 nan 0.000 0.440 66 D N 0.263 120.644 120.400 -0.032 0.000 2.087 66 D HA -0.152 4.488 4.640 0.000 0.000 0.192 66 D C 1.972 178.242 176.300 -0.049 0.000 0.993 66 D CA 1.244 55.234 54.000 -0.017 0.000 0.828 66 D CB -0.390 40.434 40.800 0.039 0.000 0.968 66 D HN -0.038 nan 8.370 nan 0.000 0.448 67 V N 0.918 120.784 119.914 -0.081 0.000 2.287 67 V HA -0.227 3.894 4.120 0.000 0.000 0.248 67 V C 2.473 178.486 176.094 -0.135 0.000 1.053 67 V CA 1.212 63.446 62.300 -0.110 0.000 1.027 67 V CB -0.552 31.170 31.823 -0.168 0.000 0.646 67 V HN 0.145 nan 8.190 nan 0.000 0.447 68 L N 0.697 121.774 121.223 -0.243 0.000 2.013 68 L HA -0.226 4.114 4.340 0.000 0.000 0.212 68 L C 2.484 179.280 176.870 -0.123 0.000 1.073 68 L CA 2.535 57.233 54.840 -0.236 0.000 0.753 68 L CB -0.928 40.912 42.059 -0.365 0.000 0.890 68 L HN 0.378 nan 8.230 nan 0.000 0.432 69 K N -0.505 119.838 120.400 -0.094 0.000 2.063 69 K HA -0.244 4.076 4.320 0.000 0.000 0.208 69 K C 1.946 178.526 176.600 -0.034 0.000 1.048 69 K CA 2.011 58.267 56.287 -0.052 0.000 0.928 69 K CB -0.203 32.276 32.500 -0.036 0.000 0.713 69 K HN 0.496 nan 8.250 nan 0.000 0.442 70 E N 0.153 120.336 120.200 -0.028 0.000 2.085 70 E HA -0.203 4.147 4.350 0.000 0.000 0.194 70 E C 2.071 178.673 176.600 0.003 0.000 0.994 70 E CA 1.969 58.367 56.400 -0.004 0.000 0.801 70 E CB -0.081 29.626 29.700 0.011 0.000 0.743 70 E HN 0.387 nan 8.360 nan 0.000 0.453 71 M N 0.375 119.975 119.600 -0.001 0.000 2.132 71 M HA -0.146 4.334 4.480 0.000 0.000 0.263 71 M C 2.114 178.401 176.300 -0.021 0.000 1.065 71 M CA 1.365 56.667 55.300 0.004 0.000 1.122 71 M CB -0.120 32.487 32.600 0.012 0.000 1.365 71 M HN -0.071 nan 8.290 nan 0.000 0.411 72 K N 0.515 120.895 120.400 -0.034 0.000 2.097 72 K HA -0.095 4.225 4.320 0.000 0.000 0.206 72 K C 2.164 178.753 176.600 -0.019 0.000 1.049 72 K CA 1.451 57.719 56.287 -0.031 0.000 0.933 72 K CB -0.327 32.151 32.500 -0.037 0.000 0.717 72 K HN 0.309 nan 8.250 nan 0.000 0.442 73 A N 1.961 124.772 122.820 -0.015 0.000 1.908 73 A HA -0.210 4.110 4.320 0.000 0.000 0.218 73 A C 1.943 179.521 177.584 -0.009 0.000 1.181 73 A CA 1.609 53.641 52.037 -0.009 0.000 0.627 73 A CB -0.270 18.727 19.000 -0.006 0.000 0.818 73 A HN 0.201 nan 8.150 nan 0.000 0.445 74 K N -0.626 119.767 120.400 -0.011 0.000 2.103 74 K HA 0.075 4.395 4.320 0.000 0.000 0.204 74 K C 2.288 178.874 176.600 -0.024 0.000 1.052 74 K CA 0.851 57.128 56.287 -0.017 0.000 0.945 74 K CB -0.264 32.223 32.500 -0.022 0.000 0.722 74 K HN 0.421 nan 8.250 nan 0.000 0.443 75 A N 1.567 124.374 122.820 -0.023 0.000 1.978 75 A HA -0.177 4.143 4.320 0.000 0.000 0.220 75 A C 2.092 179.673 177.584 -0.005 0.000 1.170 75 A CA 2.105 54.133 52.037 -0.016 0.000 0.636 75 A CB -0.627 18.368 19.000 -0.009 0.000 0.810 75 A HN 0.393 nan 8.150 nan 0.000 0.448 76 S N -0.279 115.418 115.700 -0.005 0.000 2.547 76 S HA -0.105 4.366 4.470 0.000 0.000 0.235 76 S C 1.627 176.227 174.600 -0.001 0.000 0.980 76 S CA 1.608 59.808 58.200 0.000 0.000 0.941 76 S CB -1.080 62.119 63.200 -0.001 0.000 0.763 76 S HN 0.796 nan 8.310 nan 0.000 0.532 77 T N -0.723 113.827 114.554 -0.007 0.000 3.100 77 T HA 0.273 4.623 4.350 0.000 0.000 0.253 77 T C 0.429 175.123 174.700 -0.010 0.000 1.118 77 T CA -0.132 61.963 62.100 -0.008 0.000 1.058 77 T CB -0.427 68.433 68.868 -0.012 0.000 0.953 77 T HN 0.178 nan 8.240 nan 0.000 0.515 78 V N 2.010 121.918 119.914 -0.010 0.000 2.498 78 V HA 0.396 4.516 4.120 0.000 0.000 0.279 78 V C 0.102 176.195 176.094 -0.001 0.000 1.048 78 V CA -0.920 61.372 62.300 -0.013 0.000 0.967 78 V CB 1.191 33.002 31.823 -0.021 0.000 0.988 78 V HN 0.378 nan 8.190 nan 0.000 0.473 79 K N 3.824 124.223 120.400 -0.002 0.000 2.307 79 K HA 0.754 5.074 4.320 0.000 0.000 0.263 79 K C -0.623 175.980 176.600 0.006 0.000 0.973 79 K CA -0.384 55.907 56.287 0.006 0.000 0.846 79 K CB 1.390 33.894 32.500 0.006 0.000 1.100 79 K HN 0.841 nan 8.250 nan 0.000 0.438 80 A N 4.106 126.934 122.820 0.014 0.000 2.365 80 A HA 0.487 4.807 4.320 0.000 0.000 0.318 80 A C -1.222 176.380 177.584 0.031 0.000 1.091 80 A CA -0.955 51.091 52.037 0.015 0.000 0.763 80 A CB 0.935 19.939 19.000 0.007 0.000 1.248 80 A HN 0.846 nan 8.150 nan 0.000 0.442 81 K N 1.439 121.860 120.400 0.036 0.000 2.123 81 K HA 0.684 5.005 4.320 0.000 0.000 0.259 81 K C -0.969 175.663 176.600 0.054 0.000 0.960 81 K CA -0.722 55.589 56.287 0.041 0.000 0.872 81 K CB 1.227 33.747 32.500 0.033 0.000 1.079 81 K HN 0.355 nan 8.250 nan 0.000 0.440 82 L N 3.178 124.430 121.223 0.049 0.000 2.410 82 L HA 0.159 4.500 4.340 0.000 0.000 0.273 82 L C -0.801 176.058 176.870 -0.017 0.000 1.144 82 L CA -0.214 54.647 54.840 0.034 0.000 0.863 82 L CB 0.329 42.413 42.059 0.040 0.000 1.140 82 L HN 0.619 nan 8.230 nan 0.000 0.463 83 L N 3.808 125.007 121.223 -0.041 0.000 2.371 83 L HA 0.326 4.666 4.340 0.000 0.000 0.272 83 L C 0.671 177.439 176.870 -0.171 0.000 1.124 83 L CA 0.363 55.154 54.840 -0.081 0.000 0.816 83 L CB 1.113 43.126 42.059 -0.076 0.000 1.129 83 L HN 0.843 nan 8.230 nan 0.000 0.448 84 S N 1.757 117.367 115.700 -0.150 0.000 2.580 84 S HA 0.135 4.605 4.470 0.000 0.000 0.266 84 S C 1.360 175.821 174.600 -0.232 0.000 1.354 84 S CA -0.596 57.496 58.200 -0.180 0.000 1.008 84 S CB 0.641 63.771 63.200 -0.118 0.000 0.898 84 S HN 0.344 nan 8.310 nan 0.000 0.555 85 V N 1.715 121.465 119.914 -0.274 0.000 2.332 85 V HA -0.170 3.950 4.120 0.000 0.000 0.248 85 V C 2.640 178.606 176.094 -0.214 0.000 1.055 85 V CA 2.409 64.521 62.300 -0.313 0.000 1.038 85 V CB -1.383 30.166 31.823 -0.457 0.000 0.651 85 V HN 0.853 nan 8.190 nan 0.000 0.450 86 E N 0.223 120.326 120.200 -0.160 0.000 2.051 86 E HA -0.196 4.154 4.350 0.000 0.000 0.192 86 E C 2.214 178.740 176.600 -0.123 0.000 0.991 86 E CA 1.420 57.747 56.400 -0.122 0.000 0.799 86 E CB -0.337 29.311 29.700 -0.087 0.000 0.748 86 E HN 0.664 nan 8.360 nan 0.000 0.449 87 E N 0.149 120.273 120.200 -0.127 0.000 2.085 87 E HA -0.215 4.135 4.350 0.000 0.000 0.194 87 E C 2.013 178.506 176.600 -0.179 0.000 0.994 87 E CA 1.117 57.436 56.400 -0.134 0.000 0.801 87 E CB -0.187 29.441 29.700 -0.120 0.000 0.743 87 E HN 0.283 nan 8.360 nan 0.000 0.453 88 A N 0.603 123.308 122.820 -0.191 0.000 1.898 88 A HA -0.175 4.145 4.320 0.000 0.000 0.216 88 A C 2.412 179.891 177.584 -0.176 0.000 1.181 88 A CA 1.081 52.995 52.037 -0.205 0.000 0.620 88 A CB -0.781 18.109 19.000 -0.183 0.000 0.819 88 A HN 0.370 nan 8.150 nan 0.000 0.442 89 C N -0.108 119.102 119.300 -0.151 0.000 2.413 89 C HA -0.075 4.385 4.460 0.000 0.000 0.277 89 C C 2.550 177.465 174.990 -0.125 0.000 1.265 89 C CA 1.231 60.175 59.018 -0.125 0.000 1.752 89 C CB -0.759 26.911 27.740 -0.117 0.000 1.998 89 C HN 0.487 nan 8.230 nan 0.000 0.489 90 K N 0.645 120.971 120.400 -0.124 0.000 2.366 90 K HA 0.119 4.439 4.320 0.000 0.000 0.198 90 K C 1.537 178.080 176.600 -0.094 0.000 1.044 90 K CA 0.711 56.940 56.287 -0.096 0.000 0.973 90 K CB -0.283 32.172 32.500 -0.076 0.000 0.767 90 K HN 0.549 nan 8.250 nan 0.000 0.475 91 L N 1.112 122.233 121.223 -0.170 0.000 2.554 91 L HA -0.003 4.337 4.340 0.000 0.000 0.226 91 L C 0.418 177.179 176.870 -0.182 0.000 1.137 91 L CA 0.302 55.007 54.840 -0.224 0.000 0.863 91 L CB -0.301 41.510 42.059 -0.414 0.000 0.985 91 L HN -0.068 nan 8.230 nan 0.000 0.451 92 T N 1.681 116.135 114.554 -0.166 0.000 2.814 92 T HA 0.205 4.555 4.350 0.000 0.000 0.297 92 T C -2.299 172.228 174.700 -0.288 0.000 0.956 92 T CA -1.115 60.870 62.100 -0.191 0.000 1.123 92 T CB 0.953 69.729 68.868 -0.154 0.000 0.902 92 T HN -0.118 nan 8.240 nan 0.000 0.528 93 P HA 0.169 nan 4.420 nan 0.000 0.271 93 P C -1.909 175.013 177.300 -0.630 0.000 1.216 93 P CA -1.513 61.221 63.100 -0.611 0.000 0.776 93 P CB 0.182 31.458 31.700 -0.706 0.000 0.881 94 P HA -0.180 nan 4.420 nan 0.000 0.218 94 P C 0.856 178.018 177.300 -0.230 0.000 1.148 94 P CA 1.683 64.559 63.100 -0.373 0.000 0.822 94 P CB -0.460 31.058 31.700 -0.303 0.000 0.784 95 H N -3.709 115.261 119.070 -0.167 0.000 2.539 95 H HA 0.321 4.877 4.556 0.000 0.000 0.267 95 H C 0.861 176.122 175.328 -0.111 0.000 0.982 95 H CA -0.325 55.656 56.048 -0.111 0.000 1.146 95 H CB -0.798 28.914 29.762 -0.083 0.000 1.382 95 H HN -0.124 nan 8.280 nan 0.000 0.577 96 S N 0.669 116.148 115.700 -0.368 0.000 2.554 96 S HA 0.209 4.680 4.470 0.000 0.000 0.290 96 S C 0.759 175.274 174.600 -0.142 0.000 1.309 96 S CA -0.199 57.847 58.200 -0.256 0.000 1.047 96 S CB -0.147 62.900 63.200 -0.256 0.000 0.828 96 S HN 0.734 nan 8.310 nan 0.000 0.509 97 A N 4.290 127.021 122.820 -0.148 0.000 2.511 97 A HA 0.304 4.625 4.320 0.000 0.000 0.242 97 A C 0.508 178.057 177.584 -0.060 0.000 1.069 97 A CA -0.282 51.701 52.037 -0.091 0.000 0.763 97 A CB -0.118 18.817 19.000 -0.108 0.000 1.001 97 A HN 0.874 nan 8.150 nan 0.000 0.498 98 K N 1.923 122.286 120.400 -0.061 0.000 2.276 98 K HA 0.351 4.671 4.320 0.000 0.000 0.259 98 K C 0.317 176.822 176.600 -0.158 0.000 1.001 98 K CA -0.030 56.188 56.287 -0.115 0.000 0.927 98 K CB 0.441 32.877 32.500 -0.107 0.000 0.969 98 K HN 0.425 nan 8.250 nan 0.000 0.490 99 S N 0.187 115.680 115.700 -0.345 0.000 2.580 99 S HA 0.070 4.540 4.470 0.000 0.000 0.274 99 S C 0.577 174.963 174.600 -0.356 0.000 1.329 99 S CA -0.610 57.354 58.200 -0.394 0.000 1.036 99 S CB 0.636 63.287 63.200 -0.915 0.000 0.919 99 S HN 0.677 nan 8.310 nan 0.000 0.515 100 K N 2.346 122.506 120.400 -0.400 0.000 2.515 100 K HA -0.017 4.303 4.320 0.000 0.000 0.196 100 K C -0.230 175.905 176.600 -0.774 0.000 1.038 100 K CA 1.028 56.941 56.287 -0.624 0.000 0.967 100 K CB -0.136 31.846 32.500 -0.862 0.000 0.780 100 K HN 0.613 nan 8.250 nan 0.000 0.483 101 F N -0.025 119.757 119.950 -0.280 0.000 2.850 101 F HA 0.271 4.798 4.527 0.000 0.000 0.306 101 F C 0.949 176.655 175.800 -0.156 0.000 1.162 101 F CA -0.468 57.376 58.000 -0.260 0.000 1.327 101 F CB 0.950 39.645 39.000 -0.509 0.000 0.953 101 F HN 0.024 nan 8.300 nan 0.000 0.507 102 G N 0.661 109.419 108.800 -0.069 0.000 2.142 102 G HA2 -0.272 3.688 3.960 0.000 0.000 0.225 102 G HA3 -0.272 3.688 3.960 0.000 0.000 0.225 102 G C -0.411 174.571 174.900 0.136 0.000 1.015 102 G CA 0.150 45.267 45.100 0.029 0.000 0.716 102 G HN 0.590 nan 8.290 nan 0.000 0.508 103 Y N -2.794 117.498 120.300 -0.014 0.000 2.656 103 Y HA 0.765 5.316 4.550 0.000 0.000 0.334 103 Y C 0.321 176.217 175.900 -0.008 0.000 1.179 103 Y CA -1.020 57.075 58.100 -0.008 0.000 1.050 103 Y CB 0.600 39.060 38.460 0.000 0.000 1.308 103 Y HN 0.717 nan 8.280 nan 0.000 0.456 104 G N -0.114 108.742 108.800 0.093 0.000 3.140 104 G HA2 0.545 4.505 3.960 0.000 0.000 0.271 104 G HA3 0.545 4.505 3.960 0.000 0.000 0.271 104 G C 0.252 175.196 174.900 0.073 0.000 1.370 104 G CA -0.769 44.331 45.100 0.000 0.000 1.014 104 G HN 1.214 nan 8.290 nan 0.000 0.541 105 A N -0.323 122.492 122.820 -0.009 0.000 1.917 105 A HA -0.066 4.254 4.320 0.000 0.000 0.219 105 A C 2.170 179.723 177.584 -0.051 0.000 1.182 105 A CA 2.217 54.227 52.037 -0.045 0.000 0.633 105 A CB -0.425 18.500 19.000 -0.125 0.000 0.819 105 A HN 0.570 nan 8.150 nan 0.000 0.448 106 K N -0.364 120.009 120.400 -0.044 0.000 2.155 106 K HA -0.075 4.245 4.320 0.000 0.000 0.203 106 K C 1.450 178.039 176.600 -0.019 0.000 1.052 106 K CA 1.171 57.428 56.287 -0.049 0.000 0.948 106 K CB -0.104 32.369 32.500 -0.045 0.000 0.728 106 K HN 0.439 nan 8.250 nan 0.000 0.448 107 D N 0.424 120.839 120.400 0.026 0.000 2.117 107 D HA -0.148 4.493 4.640 0.000 0.000 0.197 107 D C 1.937 178.241 176.300 0.007 0.000 0.987 107 D CA 1.057 55.080 54.000 0.038 0.000 0.829 107 D CB -0.227 40.642 40.800 0.116 0.000 0.961 107 D HN -0.060 nan 8.370 nan 0.000 0.460 108 V N 1.289 121.227 119.914 0.040 0.000 2.261 108 V HA -0.232 3.888 4.120 0.000 0.000 0.246 108 V C 2.559 178.620 176.094 -0.056 0.000 1.047 108 V CA 1.603 63.899 62.300 -0.006 0.000 1.015 108 V CB -0.327 31.524 31.823 0.047 0.000 0.642 108 V HN 0.134 nan 8.190 nan 0.000 0.446 109 R N 0.970 121.428 120.500 -0.070 0.000 2.096 109 R HA -0.121 4.219 4.340 0.000 0.000 0.235 109 R C 1.830 178.087 176.300 -0.071 0.000 1.127 109 R CA 1.673 57.717 56.100 -0.092 0.000 0.968 109 R CB -0.530 29.690 30.300 -0.132 0.000 0.861 109 R HN 0.808 nan 8.270 nan 0.000 0.440 110 N N 1.403 120.070 118.700 -0.056 0.000 2.370 110 N HA -0.026 4.714 4.740 0.000 0.000 0.198 110 N C -0.127 175.355 175.510 -0.046 0.000 1.156 110 N CA 0.053 53.076 53.050 -0.045 0.000 0.839 110 N CB 0.174 38.640 38.487 -0.035 0.000 0.989 110 N HN 0.107 nan 8.380 nan 0.000 0.468 111 L N 0.869 122.057 121.223 -0.058 0.000 3.608 111 L HA -0.237 4.104 4.340 0.000 0.000 0.422 111 L C 0.390 177.221 176.870 -0.065 0.000 1.260 111 L CA 0.286 55.085 54.840 -0.068 0.000 0.889 111 L CB -2.816 39.206 42.059 -0.062 0.000 1.821 111 L HN 0.406 nan 8.230 nan 0.000 0.884 112 S N -0.902 114.759 115.700 -0.065 0.000 2.566 112 S HA 0.248 4.718 4.470 0.000 0.000 0.280 112 S C 1.490 176.041 174.600 -0.082 0.000 1.343 112 S CA -0.008 58.156 58.200 -0.059 0.000 1.036 112 S CB 1.612 64.785 63.200 -0.045 0.000 0.866 112 S HN 0.524 nan 8.310 nan 0.000 0.526 113 S N 2.286 117.952 115.700 -0.057 0.000 2.406 113 S HA -0.103 4.367 4.470 0.000 0.000 0.228 113 S C 1.689 176.246 174.600 -0.071 0.000 1.020 113 S CA 0.783 58.953 58.200 -0.050 0.000 0.965 113 S CB -0.552 62.633 63.200 -0.025 0.000 0.798 113 S HN 0.853 nan 8.310 nan 0.000 0.488 114 K N 1.749 122.101 120.400 -0.080 0.000 2.103 114 K HA -0.040 4.280 4.320 0.000 0.000 0.207 114 K C 2.251 178.669 176.600 -0.303 0.000 1.048 114 K CA 1.203 57.431 56.287 -0.098 0.000 0.930 114 K CB -0.586 31.897 32.500 -0.029 0.000 0.716 114 K HN 0.447 nan 8.250 nan 0.000 0.444 115 A N 0.479 123.016 122.820 -0.472 0.000 1.841 115 A HA -0.096 4.224 4.320 0.000 0.000 0.214 115 A C 2.241 179.545 177.584 -0.467 0.000 1.195 115 A CA 1.576 53.072 52.037 -0.902 0.000 0.611 115 A CB -0.769 17.897 19.000 -0.556 0.000 0.835 115 A HN 0.150 nan 8.150 nan 0.000 0.443 116 V N 1.014 120.779 119.914 -0.249 0.000 2.332 116 V HA -0.333 3.788 4.120 0.000 0.000 0.248 116 V C 2.208 178.277 176.094 -0.042 0.000 1.055 116 V CA 2.397 64.604 62.300 -0.156 0.000 1.038 116 V CB -1.241 30.538 31.823 -0.073 0.000 0.651 116 V HN 0.642 nan 8.190 nan 0.000 0.450 117 N N -1.145 117.555 118.700 -0.000 0.000 2.106 117 N HA -0.214 4.526 4.740 0.000 0.000 0.188 117 N C 2.005 177.550 175.510 0.058 0.000 1.029 117 N CA 1.221 54.312 53.050 0.068 0.000 0.848 117 N CB -0.272 38.235 38.487 0.034 0.000 1.007 117 N HN 0.586 nan 8.380 nan 0.000 0.423 118 H N 1.360 120.378 119.070 -0.085 0.000 2.353 118 H HA -0.054 4.502 4.556 0.000 0.000 0.300 118 H C 2.107 177.414 175.328 -0.034 0.000 1.090 118 H CA 1.272 57.287 56.048 -0.056 0.000 1.327 118 H CB -0.011 29.752 29.762 0.002 0.000 1.383 118 H HN 0.178 nan 8.280 nan 0.000 0.508 119 I N 0.517 121.029 120.570 -0.097 0.000 2.127 119 I HA -0.331 3.839 4.170 0.000 0.000 0.241 119 I C 2.691 178.737 176.117 -0.118 0.000 1.075 119 I CA 1.289 62.512 61.300 -0.128 0.000 1.334 119 I CB -0.527 37.380 38.000 -0.154 0.000 1.040 119 I HN 0.353 nan 8.210 nan 0.000 0.405 120 H N 0.494 119.521 119.070 -0.071 0.000 2.390 120 H HA -0.158 4.398 4.556 0.000 0.000 0.298 120 H C 2.575 177.905 175.328 0.003 0.000 1.106 120 H CA 2.003 58.034 56.048 -0.029 0.000 1.297 120 H CB -0.308 29.426 29.762 -0.046 0.000 1.375 120 H HN 0.442 nan 8.280 nan 0.000 0.509 121 S N -0.113 115.607 115.700 0.033 0.000 2.446 121 S HA -0.029 4.441 4.470 0.000 0.000 0.225 121 S C 2.339 176.874 174.600 -0.109 0.000 1.016 121 S CA 0.743 58.918 58.200 -0.042 0.000 0.943 121 S CB -0.568 62.580 63.200 -0.086 0.000 0.786 121 S HN 0.085 nan 8.310 nan 0.000 0.508 122 V N 0.972 120.768 119.914 -0.197 0.000 2.358 122 V HA -0.113 4.008 4.120 0.000 0.000 0.246 122 V C 2.222 178.315 176.094 -0.002 0.000 1.047 122 V CA 1.730 63.934 62.300 -0.160 0.000 1.035 122 V CB -0.961 30.750 31.823 -0.188 0.000 0.658 122 V HN 0.722 nan 8.190 nan 0.000 0.452 123 W N 1.415 122.651 121.300 -0.107 0.000 2.379 123 W HA -0.213 4.447 4.660 0.000 0.000 0.307 123 W C 2.515 179.009 176.519 -0.042 0.000 1.200 123 W CA 2.189 59.499 57.345 -0.059 0.000 1.297 123 W CB -0.159 29.279 29.460 -0.037 0.000 1.140 123 W HN 0.237 nan 8.180 nan 0.000 0.507 124 K N 0.688 121.168 120.400 0.132 0.000 2.020 124 K HA -0.306 4.014 4.320 0.000 0.000 0.212 124 K C 1.796 178.346 176.600 -0.084 0.000 1.050 124 K CA 2.531 58.831 56.287 0.022 0.000 0.929 124 K CB -0.750 31.783 32.500 0.054 0.000 0.714 124 K HN 0.006 nan 8.250 nan 0.000 0.443 125 D N -0.044 120.309 120.400 -0.079 0.000 2.182 125 D HA -0.166 4.474 4.640 0.000 0.000 0.201 125 D C 1.876 178.092 176.300 -0.140 0.000 0.986 125 D CA 1.111 55.053 54.000 -0.098 0.000 0.847 125 D CB 0.043 40.788 40.800 -0.092 0.000 0.942 125 D HN 0.259 nan 8.370 nan 0.000 0.467 126 L N -0.231 120.869 121.223 -0.204 0.000 2.093 126 L HA -0.113 4.227 4.340 0.000 0.000 0.208 126 L C 2.399 179.089 176.870 -0.300 0.000 1.085 126 L CA 0.586 55.263 54.840 -0.273 0.000 0.755 126 L CB -0.279 41.546 42.059 -0.389 0.000 0.904 126 L HN 0.215 nan 8.230 nan 0.000 0.435 127 L N -0.863 120.155 121.223 -0.341 0.000 2.156 127 L HA -0.153 4.187 4.340 0.000 0.000 0.208 127 L C 2.316 179.093 176.870 -0.155 0.000 1.095 127 L CA 1.113 55.790 54.840 -0.271 0.000 0.770 127 L CB -0.349 41.555 42.059 -0.259 0.000 0.914 127 L HN 0.269 nan 8.230 nan 0.000 0.439 128 E N -0.904 119.220 120.200 -0.127 0.000 2.170 128 E HA -0.094 4.257 4.350 0.000 0.000 0.191 128 E C 0.263 176.818 176.600 -0.074 0.000 0.981 128 E CA 0.405 56.755 56.400 -0.082 0.000 0.830 128 E CB 0.402 30.064 29.700 -0.065 0.000 0.775 128 E HN 0.181 nan 8.360 nan 0.000 0.470 129 D N -0.460 119.887 120.400 -0.088 0.000 2.620 129 D HA 0.051 4.691 4.640 0.000 0.000 0.252 129 D C -0.265 175.986 176.300 -0.082 0.000 1.207 129 D CA -0.232 53.725 54.000 -0.071 0.000 0.884 129 D CB 1.545 42.308 40.800 -0.062 0.000 1.262 129 D HN -0.038 nan 8.370 nan 0.000 0.552 130 T N 0.282 114.796 114.554 -0.066 0.000 3.182 130 T HA 0.252 4.602 4.350 0.000 0.000 0.277 130 T C 0.915 175.587 174.700 -0.047 0.000 1.013 130 T CA -0.070 61.991 62.100 -0.065 0.000 0.900 130 T CB 0.180 69.013 68.868 -0.058 0.000 1.098 130 T HN 0.138 nan 8.240 nan 0.000 0.543 131 V N -0.168 119.723 119.914 -0.038 0.000 3.350 131 V HA 0.218 4.338 4.120 0.000 0.000 0.246 131 V C 0.854 176.940 176.094 -0.013 0.000 1.363 131 V CA 0.090 62.377 62.300 -0.023 0.000 1.162 131 V CB 0.255 32.067 31.823 -0.018 0.000 0.947 131 V HN 0.427 nan 8.190 nan 0.000 0.454 132 T N 4.187 118.731 114.554 -0.018 0.000 2.751 132 T HA 0.245 4.595 4.350 0.000 0.000 0.290 132 T C -2.473 172.224 174.700 -0.004 0.000 0.919 132 T CA -0.684 61.413 62.100 -0.005 0.000 1.136 132 T CB 0.765 69.629 68.868 -0.008 0.000 0.875 132 T HN 0.151 nan 8.240 nan 0.000 0.532 133 P HA 0.097 nan 4.420 nan 0.000 0.262 133 P C -0.183 177.117 177.300 -0.000 0.000 1.182 133 P CA 0.036 63.145 63.100 0.015 0.000 0.761 133 P CB 0.277 32.020 31.700 0.071 0.000 0.795 134 I N 2.289 122.844 120.570 -0.025 0.000 2.472 134 I HA 0.140 4.311 4.170 0.000 0.000 0.290 134 I C 0.965 177.073 176.117 -0.015 0.000 1.016 134 I CA -0.350 60.943 61.300 -0.013 0.000 1.348 134 I CB 0.677 38.660 38.000 -0.029 0.000 1.417 134 I HN 0.323 nan 8.210 nan 0.000 0.521 135 D N 3.986 124.393 120.400 0.013 0.000 2.382 135 D HA 0.207 4.848 4.640 0.000 0.000 0.245 135 D C -0.362 175.916 176.300 -0.037 0.000 1.120 135 D CA 0.007 54.003 54.000 -0.008 0.000 0.890 135 D CB 0.814 41.626 40.800 0.019 0.000 1.201 135 D HN 0.624 nan 8.370 nan 0.000 0.433 136 T N -0.153 114.349 114.554 -0.088 0.000 2.908 136 T HA 0.563 4.913 4.350 0.000 0.000 0.290 136 T C -0.240 174.315 174.700 -0.242 0.000 1.034 136 T CA -0.986 61.022 62.100 -0.154 0.000 1.010 136 T CB 1.609 70.402 68.868 -0.126 0.000 1.068 136 T HN 0.239 nan 8.240 nan 0.000 0.481 137 T N 2.512 116.768 114.554 -0.498 0.000 2.799 137 T HA 0.510 4.860 4.350 0.000 0.000 0.286 137 T C -0.171 174.221 174.700 -0.512 0.000 0.973 137 T CA -0.541 61.218 62.100 -0.568 0.000 1.035 137 T CB 0.537 68.905 68.868 -0.833 0.000 0.932 137 T HN 0.710 nan 8.240 nan 0.000 0.469 138 I N 4.595 125.048 120.570 -0.195 0.000 2.321 138 I HA 0.445 4.615 4.170 0.000 0.000 0.291 138 I C -0.660 175.472 176.117 0.024 0.000 0.998 138 I CA -0.617 60.662 61.300 -0.036 0.000 1.227 138 I CB 0.414 38.455 38.000 0.068 0.000 1.368 138 I HN 0.402 nan 8.210 nan 0.000 0.466 139 M N 6.313 125.988 119.600 0.125 0.000 2.662 139 M HA 0.552 5.033 4.480 0.000 0.000 0.310 139 M C -0.414 175.956 176.300 0.116 0.000 1.204 139 M CA -0.677 54.713 55.300 0.150 0.000 0.891 139 M CB 1.791 34.553 32.600 0.270 0.000 1.732 139 M HN 0.593 nan 8.290 nan 0.000 0.467 140 A N 1.868 124.735 122.820 0.079 0.000 2.309 140 A HA 0.494 4.815 4.320 0.000 0.000 0.298 140 A C -0.103 177.520 177.584 0.066 0.000 1.165 140 A CA -0.575 51.498 52.037 0.061 0.000 0.821 140 A CB 0.435 19.456 19.000 0.035 0.000 1.102 140 A HN 0.730 nan 8.150 nan 0.000 0.500 141 K N 1.890 122.329 120.400 0.066 0.000 2.298 141 K HA 0.098 4.418 4.320 0.000 0.000 0.280 141 K C -0.679 175.928 176.600 0.012 0.000 1.032 141 K CA 0.085 56.397 56.287 0.041 0.000 0.958 141 K CB 0.543 33.075 32.500 0.053 0.000 0.978 141 K HN 0.754 nan 8.250 nan 0.000 0.472 142 N N 2.840 121.517 118.700 -0.039 0.000 2.527 142 N HA 0.105 4.846 4.740 0.000 0.000 0.236 142 N C -1.076 174.304 175.510 -0.216 0.000 0.999 142 N CA -0.250 52.737 53.050 -0.105 0.000 0.935 142 N CB 1.019 39.438 38.487 -0.113 0.000 1.132 142 N HN 0.377 nan 8.380 nan 0.000 0.511 143 E N 0.896 120.954 120.200 -0.238 0.000 2.312 143 E HA 0.467 4.818 4.350 0.000 0.000 0.267 143 E C -0.916 175.272 176.600 -0.687 0.000 0.894 143 E CA -0.981 55.157 56.400 -0.437 0.000 0.773 143 E CB 2.525 32.017 29.700 -0.345 0.000 1.241 143 E HN 0.093 nan 8.360 nan 0.000 0.432 144 V N 2.763 122.127 119.914 -0.917 0.000 2.472 144 V HA 0.511 4.631 4.120 0.000 0.000 0.290 144 V C -0.840 174.586 176.094 -1.113 0.000 1.037 144 V CA -0.300 61.487 62.300 -0.856 0.000 0.908 144 V CB 0.354 31.826 31.823 -0.585 0.000 0.985 144 V HN 0.501 nan 8.190 nan 0.000 0.454 145 F N 1.963 121.580 119.950 -0.556 0.000 2.685 145 F HA 0.566 5.094 4.527 0.000 0.000 0.315 145 F C 0.012 175.662 175.800 -0.250 0.000 1.126 145 F CA -0.728 57.028 58.000 -0.407 0.000 0.950 145 F CB 1.289 40.032 39.000 -0.428 0.000 1.360 145 F HN 0.542 nan 8.300 nan 0.000 0.469 146 C N 2.841 122.262 119.300 0.202 0.000 2.365 146 C HA 0.791 5.251 4.460 0.000 0.000 0.351 146 C C 0.132 175.346 174.990 0.373 0.000 1.240 146 C CA -0.667 58.504 59.018 0.255 0.000 2.062 146 C CB -0.100 27.733 27.740 0.154 0.000 2.387 146 C HN 0.715 nan 8.230 nan 0.000 0.537 147 V N 4.905 125.044 119.914 0.375 0.000 2.872 147 V HA 0.325 4.445 4.120 0.000 0.000 0.307 147 V C -0.091 176.079 176.094 0.126 0.000 1.072 147 V CA 0.082 62.522 62.300 0.234 0.000 1.148 147 V CB 0.305 32.186 31.823 0.097 0.000 0.954 147 V HN 1.007 nan 8.190 nan 0.000 0.490 155 K N 3.219 123.626 120.400 0.011 0.000 2.276 155 K HA 0.291 4.611 4.320 0.000 0.000 0.283 155 K C -2.103 174.527 176.600 0.050 0.000 1.044 155 K CA -1.589 54.670 56.287 -0.047 0.000 0.944 155 K CB 0.569 32.897 32.500 -0.287 0.000 1.012 155 K HN 0.246 nan 8.250 nan 0.000 0.472 156 P HA 0.017 nan 4.420 nan 0.000 0.274 156 P C -0.675 176.670 177.300 0.075 0.000 1.246 156 P CA -0.452 62.674 63.100 0.044 0.000 0.795 156 P CB 0.554 32.260 31.700 0.009 0.000 1.006 157 A N 2.718 125.586 122.820 0.081 0.000 2.531 157 A HA 0.073 4.393 4.320 0.000 0.000 0.236 157 A C 0.690 178.321 177.584 0.078 0.000 1.062 157 A CA -0.015 52.078 52.037 0.093 0.000 0.760 157 A CB -0.340 18.700 19.000 0.066 0.000 0.995 157 A HN 0.433 nan 8.150 nan 0.000 0.501 158 R N 0.705 121.268 120.500 0.105 0.000 2.582 158 R HA 0.418 4.758 4.340 0.000 0.000 0.271 158 R C -0.600 175.756 176.300 0.093 0.000 1.078 158 R CA -0.230 55.932 56.100 0.104 0.000 1.127 158 R CB 0.408 30.786 30.300 0.130 0.000 1.038 158 R HN 0.671 nan 8.270 nan 0.000 0.500 159 L N 2.394 123.676 121.223 0.099 0.000 2.360 159 L HA 0.566 4.906 4.340 0.000 0.000 0.271 159 L C -0.195 176.766 176.870 0.152 0.000 1.057 159 L CA -0.881 54.022 54.840 0.105 0.000 0.803 159 L CB 1.075 43.181 42.059 0.077 0.000 1.207 159 L HN 0.481 nan 8.230 nan 0.000 0.445 160 I N 1.782 122.460 120.570 0.180 0.000 2.478 160 I HA 0.452 4.622 4.170 0.000 0.000 0.287 160 I C -1.060 175.238 176.117 0.301 0.000 1.042 160 I CA -0.270 61.178 61.300 0.246 0.000 1.067 160 I CB 1.852 39.995 38.000 0.239 0.000 1.233 160 I HN 0.204 nan 8.210 nan 0.000 0.431 161 V N 8.822 128.900 119.914 0.273 0.000 2.384 161 V HA 0.610 4.730 4.120 0.000 0.000 0.287 161 V C -0.673 175.575 176.094 0.257 0.000 1.020 161 V CA -0.459 61.945 62.300 0.174 0.000 0.850 161 V CB 1.036 32.944 31.823 0.142 0.000 0.987 161 V HN 0.596 nan 8.190 nan 0.000 0.436 162 F N 5.070 125.067 119.950 0.079 0.000 2.619 162 F HA 0.924 5.451 4.527 0.000 0.000 0.308 162 F C -3.088 172.752 175.800 0.067 0.000 1.097 162 F CA -2.616 55.431 58.000 0.077 0.000 0.953 162 F CB 1.767 40.807 39.000 0.067 0.000 1.287 162 F HN 0.303 nan 8.300 nan 0.000 0.446 163 P HA 0.193 nan 4.420 nan 0.000 0.281 163 P C -1.074 176.361 177.300 0.225 0.000 1.281 163 P CA -0.189 62.986 63.100 0.125 0.000 0.811 163 P CB 1.234 33.008 31.700 0.123 0.000 1.154 164 D N -0.705 119.806 120.400 0.185 0.000 2.423 164 D HA -0.062 4.578 4.640 0.000 0.000 0.238 164 D C 1.383 177.818 176.300 0.225 0.000 1.142 164 D CA -0.263 53.871 54.000 0.224 0.000 0.884 164 D CB 0.260 41.250 40.800 0.317 0.000 1.199 164 D HN 0.081 nan 8.370 nan 0.000 0.438 165 L N 3.920 125.251 121.223 0.180 0.000 2.064 165 L HA -0.091 4.249 4.340 0.000 0.000 0.216 165 L C 2.061 179.066 176.870 0.226 0.000 1.077 165 L CA 2.641 57.573 54.840 0.153 0.000 0.766 165 L CB -1.207 40.893 42.059 0.068 0.000 0.890 165 L HN 0.689 nan 8.230 nan 0.000 0.435 166 G N -1.379 107.628 108.800 0.345 0.000 2.440 166 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 166 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 166 G C 1.552 176.563 174.900 0.186 0.000 1.154 166 G CA 1.171 46.489 45.100 0.363 0.000 0.767 166 G HN 0.374 nan 8.290 nan 0.000 0.552 167 V N 0.690 120.709 119.914 0.175 0.000 2.427 167 V HA -0.141 3.980 4.120 0.000 0.000 0.248 167 V C 2.913 179.086 176.094 0.132 0.000 1.051 167 V CA 1.870 64.246 62.300 0.125 0.000 1.048 167 V CB -0.449 31.440 31.823 0.111 0.000 0.666 167 V HN 0.332 nan 8.190 nan 0.000 0.456 168 R N -0.305 120.280 120.500 0.143 0.000 2.096 168 R HA -0.101 4.239 4.340 0.000 0.000 0.235 168 R C 2.220 178.576 176.300 0.093 0.000 1.127 168 R CA 1.321 57.497 56.100 0.126 0.000 0.968 168 R CB -0.551 29.816 30.300 0.111 0.000 0.861 168 R HN 0.414 nan 8.270 nan 0.000 0.440 169 V N 0.361 120.322 119.914 0.078 0.000 2.427 169 V HA -0.271 3.849 4.120 0.000 0.000 0.248 169 V C 2.451 178.567 176.094 0.037 0.000 1.051 169 V CA 1.438 63.752 62.300 0.024 0.000 1.048 169 V CB -0.394 31.430 31.823 0.001 0.000 0.666 169 V HN 0.448 nan 8.190 nan 0.000 0.456 170 C N -0.101 119.266 119.300 0.112 0.000 2.429 170 C HA -0.136 4.324 4.460 0.000 0.000 0.277 170 C C 2.667 177.831 174.990 0.289 0.000 1.262 170 C CA 0.876 60.044 59.018 0.250 0.000 1.733 170 C CB -0.942 27.001 27.740 0.338 0.000 2.010 170 C HN 0.620 nan 8.230 nan 0.000 0.483 171 E N 0.863 121.186 120.200 0.205 0.000 2.058 171 E HA -0.246 4.104 4.350 0.000 0.000 0.194 171 E C 2.144 178.860 176.600 0.194 0.000 0.997 171 E CA 1.306 57.835 56.400 0.215 0.000 0.801 171 E CB -0.178 29.654 29.700 0.219 0.000 0.746 171 E HN 0.632 nan 8.360 nan 0.000 0.450 172 K N 0.371 120.850 120.400 0.132 0.000 2.032 172 K HA -0.171 4.149 4.320 0.000 0.000 0.209 172 K C 2.219 178.874 176.600 0.092 0.000 1.048 172 K CA 1.657 58.003 56.287 0.099 0.000 0.927 172 K CB -0.185 32.295 32.500 -0.034 0.000 0.712 172 K HN 0.097 nan 8.250 nan 0.000 0.441 173 M N 0.306 119.920 119.600 0.023 0.000 2.073 173 M HA -0.233 4.247 4.480 0.000 0.000 0.258 173 M C 2.437 178.791 176.300 0.091 0.000 1.070 173 M CA 1.989 57.237 55.300 -0.085 0.000 1.103 173 M CB -0.384 31.951 32.600 -0.441 0.000 1.321 173 M HN 0.273 nan 8.290 nan 0.000 0.405 174 A N -0.707 122.297 122.820 0.308 0.000 1.930 174 A HA -0.018 4.302 4.320 0.000 0.000 0.217 174 A C 1.839 179.532 177.584 0.180 0.000 1.175 174 A CA 1.376 53.625 52.037 0.354 0.000 0.627 174 A CB -0.279 18.941 19.000 0.366 0.000 0.815 174 A HN 0.516 nan 8.150 nan 0.000 0.443 175 L N -2.956 118.356 121.223 0.148 0.000 3.217 175 L HA 0.205 4.546 4.340 0.000 0.000 0.288 175 L C 1.596 178.498 176.870 0.053 0.000 1.202 175 L CA -0.043 54.824 54.840 0.045 0.000 1.027 175 L CB 0.314 42.367 42.059 -0.010 0.000 1.427 175 L HN 0.492 nan 8.230 nan 0.000 0.600 176 Y N 0.963 121.275 120.300 0.019 0.000 2.200 176 Y HA -0.246 4.305 4.550 0.000 0.000 0.290 176 Y C 2.124 178.056 175.900 0.053 0.000 1.137 176 Y CA 2.103 60.230 58.100 0.045 0.000 1.163 176 Y CB 0.217 38.693 38.460 0.027 0.000 0.988 176 Y HN 0.211 nan 8.280 nan 0.000 0.518 177 D N -0.480 119.927 120.400 0.011 0.000 2.117 177 D HA -0.170 4.470 4.640 0.000 0.000 0.197 177 D C 2.223 178.447 176.300 -0.127 0.000 0.987 177 D CA 1.583 55.540 54.000 -0.071 0.000 0.829 177 D CB -0.226 40.598 40.800 0.041 0.000 0.961 177 D HN 0.257 nan 8.370 nan 0.000 0.460 178 V N 0.617 120.469 119.914 -0.102 0.000 2.255 178 V HA -0.255 3.865 4.120 0.000 0.000 0.247 178 V C 2.712 178.689 176.094 -0.194 0.000 1.051 178 V CA 1.970 64.187 62.300 -0.138 0.000 1.018 178 V CB -0.879 30.835 31.823 -0.182 0.000 0.641 178 V HN 0.334 nan 8.190 nan 0.000 0.445 179 V N -2.405 117.373 119.914 -0.226 0.000 2.970 179 V HA -0.093 4.027 4.120 0.000 0.000 0.260 179 V C 2.058 177.993 176.094 -0.265 0.000 1.100 179 V CA 2.041 64.200 62.300 -0.235 0.000 1.122 179 V CB -0.430 31.279 31.823 -0.189 0.000 0.721 179 V HN 0.463 nan 8.190 nan 0.000 0.483 180 S N 1.147 116.685 115.700 -0.271 0.000 2.425 180 S HA -0.044 4.426 4.470 0.000 0.000 0.225 180 S C 1.948 176.441 174.600 -0.179 0.000 1.024 180 S CA 1.512 59.576 58.200 -0.227 0.000 0.951 180 S CB -0.036 62.974 63.200 -0.317 0.000 0.796 180 S HN 0.935 nan 8.310 nan 0.000 0.498 181 T N -0.470 113.975 114.554 -0.182 0.000 3.026 181 T HA 0.292 4.642 4.350 0.000 0.000 0.245 181 T C 1.709 176.298 174.700 -0.185 0.000 1.004 181 T CA -0.111 61.899 62.100 -0.150 0.000 1.069 181 T CB -0.573 68.237 68.868 -0.097 0.000 1.005 181 T HN 0.196 nan 8.240 nan 0.000 0.472 182 L N 2.101 123.215 121.223 -0.182 0.000 2.012 182 L HA 0.058 4.398 4.340 0.000 0.000 0.210 182 L C -0.838 175.872 176.870 -0.268 0.000 1.073 182 L CA 1.640 56.381 54.840 -0.164 0.000 0.748 182 L CB -0.824 41.185 42.059 -0.084 0.000 0.891 182 L HN 0.158 nan 8.230 nan 0.000 0.431 183 P HA -0.214 nan 4.420 nan 0.000 0.216 183 P C 1.318 178.166 177.300 -0.754 0.000 1.150 183 P CA 1.214 63.892 63.100 -0.704 0.000 0.837 183 P CB -0.163 30.780 31.700 -1.261 0.000 0.786 184 Q N 0.032 119.430 119.800 -0.669 0.000 2.119 184 Q HA -0.089 4.251 4.340 0.000 0.000 0.201 184 Q C 1.973 177.837 176.000 -0.226 0.000 0.972 184 Q CA 1.370 56.960 55.803 -0.354 0.000 0.847 184 Q CB -0.707 27.916 28.738 -0.192 0.000 0.903 184 Q HN 0.074 nan 8.270 nan 0.000 0.433 185 V N 0.132 119.924 119.914 -0.204 0.000 2.307 185 V HA -0.217 3.903 4.120 0.000 0.000 0.245 185 V C 2.542 178.557 176.094 -0.131 0.000 1.045 185 V CA 1.507 63.727 62.300 -0.132 0.000 1.024 185 V CB -0.543 31.218 31.823 -0.103 0.000 0.651 185 V HN 0.133 nan 8.190 nan 0.000 0.449 186 V N -0.763 119.049 119.914 -0.171 0.000 2.427 186 V HA -0.215 3.906 4.120 0.000 0.000 0.248 186 V C 2.026 177.992 176.094 -0.214 0.000 1.051 186 V CA 2.257 64.464 62.300 -0.155 0.000 1.048 186 V CB -0.418 31.311 31.823 -0.156 0.000 0.666 186 V HN 0.489 nan 8.190 nan 0.000 0.456 187 M N -1.766 117.635 119.600 -0.332 0.000 2.331 187 M HA 0.380 4.860 4.480 0.000 0.000 0.266 187 M C 1.427 177.593 176.300 -0.223 0.000 1.055 187 M CA 0.740 55.742 55.300 -0.497 0.000 1.048 187 M CB 0.825 32.959 32.600 -0.778 0.000 1.460 187 M HN 0.438 nan 8.290 nan 0.000 0.519 188 G N 1.739 110.450 108.800 -0.147 0.000 2.583 188 G HA2 -0.396 3.565 3.960 0.000 0.000 0.292 188 G HA3 -0.396 3.565 3.960 0.000 0.000 0.292 188 G C 0.831 175.686 174.900 -0.076 0.000 1.203 188 G CA 0.864 45.920 45.100 -0.074 0.000 0.987 188 G HN 0.525 nan 8.290 nan 0.000 0.554 189 S N -0.607 115.075 115.700 -0.030 0.000 2.507 189 S HA 0.115 4.585 4.470 0.000 0.000 0.235 189 S C 2.209 176.673 174.600 -0.226 0.000 0.988 189 S CA 1.936 60.074 58.200 -0.103 0.000 0.944 189 S CB -0.018 63.230 63.200 0.079 0.000 0.762 189 S HN 0.958 nan 8.310 nan 0.000 0.526 190 S N 0.273 115.946 115.700 -0.045 0.000 2.489 190 S HA 0.123 4.593 4.470 0.000 0.000 0.228 190 S C 0.216 174.786 174.600 -0.050 0.000 0.995 190 S CA -0.086 58.124 58.200 0.018 0.000 0.934 190 S CB -0.419 62.887 63.200 0.177 0.000 0.771 190 S HN 0.708 nan 8.310 nan 0.000 0.522 191 Y N 3.007 123.151 120.300 -0.260 0.000 2.674 191 Y HA 0.388 4.938 4.550 0.000 0.000 0.354 191 Y C 1.336 177.033 175.900 -0.338 0.000 1.089 191 Y CA -1.208 56.716 58.100 -0.292 0.000 1.444 191 Y CB -0.224 38.064 38.460 -0.287 0.000 1.187 191 Y HN 0.084 nan 8.280 nan 0.000 0.523 192 G N 4.635 113.029 108.800 -0.676 0.000 2.469 192 G HA2 -0.321 3.640 3.960 0.000 0.000 0.219 192 G HA3 -0.321 3.640 3.960 0.000 0.000 0.219 192 G C 1.087 175.476 174.900 -0.850 0.000 1.150 192 G CA 0.579 45.276 45.100 -0.671 0.000 0.763 192 G HN 0.647 nan 8.290 nan 0.000 0.561 193 F N 1.376 120.618 119.950 -1.179 0.000 2.771 193 F HA 0.093 4.620 4.527 0.000 0.000 0.299 193 F C 2.702 178.241 175.800 -0.435 0.000 1.177 193 F CA 0.806 58.199 58.000 -1.012 0.000 1.450 193 F CB -0.074 38.342 39.000 -0.974 0.000 1.114 193 F HN 0.408 nan 8.300 nan 0.000 0.587 194 Q N -1.172 118.383 119.800 -0.408 0.000 2.403 194 Q HA -0.009 4.331 4.340 0.000 0.000 0.203 194 Q C -0.661 175.217 176.000 -0.203 0.000 0.932 194 Q CA 0.523 56.192 55.803 -0.224 0.000 0.945 194 Q CB -0.147 28.353 28.738 -0.397 0.000 1.045 194 Q HN 0.278 nan 8.270 nan 0.000 0.511 195 Y N 1.727 122.029 120.300 0.004 0.000 2.360 195 Y HA 0.318 4.869 4.550 0.000 0.000 0.337 195 Y C 0.573 176.178 175.900 -0.492 0.000 1.039 195 Y CA -1.314 56.693 58.100 -0.155 0.000 1.109 195 Y CB 1.567 39.909 38.460 -0.197 0.000 1.201 195 Y HN 0.102 nan 8.280 nan 0.000 0.458 196 S N 2.569 117.913 115.700 -0.594 0.000 2.596 196 S HA 0.137 4.608 4.470 0.000 0.000 0.260 196 S C -2.002 172.250 174.600 -0.580 0.000 1.336 196 S CA -0.917 56.581 58.200 -1.170 0.000 0.993 196 S CB 0.827 63.642 63.200 -0.643 0.000 0.923 196 S HN 0.454 nan 8.310 nan 0.000 0.567 197 P HA 0.032 nan 4.420 nan 0.000 0.216 197 P C 1.714 178.889 177.300 -0.208 0.000 1.150 197 P CA 1.534 64.458 63.100 -0.293 0.000 0.837 197 P CB -0.520 31.028 31.700 -0.254 0.000 0.786 198 G N -0.241 108.402 108.800 -0.263 0.000 2.422 198 G HA2 -0.263 3.698 3.960 0.000 0.000 0.218 198 G HA3 -0.263 3.698 3.960 0.000 0.000 0.218 198 G C 1.512 176.346 174.900 -0.110 0.000 1.146 198 G CA 0.590 45.607 45.100 -0.138 0.000 0.769 198 G HN 0.311 nan 8.290 nan 0.000 0.547 199 Q N -0.568 119.154 119.800 -0.130 0.000 2.123 199 Q HA 0.061 4.401 4.340 0.000 0.000 0.199 199 Q C 2.575 178.417 176.000 -0.264 0.000 0.966 199 Q CA 0.819 56.566 55.803 -0.092 0.000 0.845 199 Q CB -0.123 28.658 28.738 0.071 0.000 0.907 199 Q HN 0.465 nan 8.270 nan 0.000 0.439 200 R N 0.539 120.868 120.500 -0.286 0.000 2.073 200 R HA -0.125 4.215 4.340 0.000 0.000 0.234 200 R C 2.218 178.385 176.300 -0.222 0.000 1.134 200 R CA 1.246 57.114 56.100 -0.387 0.000 0.952 200 R CB -0.429 29.755 30.300 -0.194 0.000 0.850 200 R HN 0.202 nan 8.270 nan 0.000 0.433 201 V N 1.423 121.251 119.914 -0.143 0.000 2.407 201 V HA -0.226 3.894 4.120 0.000 0.000 0.248 201 V C 2.164 178.185 176.094 -0.121 0.000 1.055 201 V CA 2.412 64.647 62.300 -0.110 0.000 1.049 201 V CB -0.335 31.464 31.823 -0.041 0.000 0.662 201 V HN 0.525 nan 8.190 nan 0.000 0.455 202 E N -0.995 119.146 120.200 -0.098 0.000 2.077 202 E HA -0.260 4.090 4.350 0.000 0.000 0.193 202 E C 2.074 178.621 176.600 -0.089 0.000 0.989 202 E CA 1.752 58.108 56.400 -0.074 0.000 0.800 202 E CB -0.330 29.348 29.700 -0.036 0.000 0.746 202 E HN 0.682 nan 8.360 nan 0.000 0.452 203 F N 1.228 121.003 119.950 -0.292 0.000 2.134 203 F HA -0.140 4.387 4.527 0.000 0.000 0.299 203 F C 1.934 177.606 175.800 -0.214 0.000 1.097 203 F CA 1.214 59.035 58.000 -0.299 0.000 1.264 203 F CB -0.178 38.477 39.000 -0.575 0.000 1.001 203 F HN 0.001 nan 8.300 nan 0.000 0.479 204 L N -0.773 120.328 121.223 -0.204 0.000 2.017 204 L HA -0.241 4.099 4.340 0.000 0.000 0.208 204 L C 2.349 179.071 176.870 -0.247 0.000 1.073 204 L CA 1.228 55.928 54.840 -0.234 0.000 0.745 204 L CB -0.809 41.143 42.059 -0.178 0.000 0.894 204 L HN 0.019 nan 8.230 nan 0.000 0.432 205 V N -0.184 119.573 119.914 -0.262 0.000 2.270 205 V HA -0.239 3.881 4.120 0.000 0.000 0.245 205 V C 2.197 178.191 176.094 -0.166 0.000 1.043 205 V CA 1.763 63.898 62.300 -0.275 0.000 1.014 205 V CB -0.724 30.850 31.823 -0.416 0.000 0.645 205 V HN 0.456 nan 8.190 nan 0.000 0.447 206 N N 0.403 118.992 118.700 -0.184 0.000 2.061 206 N HA -0.169 4.571 4.740 0.000 0.000 0.193 206 N C 1.906 177.295 175.510 -0.203 0.000 1.030 206 N CA 2.165 55.117 53.050 -0.163 0.000 0.856 206 N CB -0.851 37.546 38.487 -0.149 0.000 1.023 206 N HN 0.469 nan 8.380 nan 0.000 0.424 207 T N 0.565 114.913 114.554 -0.344 0.000 2.674 207 T HA -0.156 4.194 4.350 0.000 0.000 0.265 207 T C 1.505 176.114 174.700 -0.152 0.000 1.039 207 T CA 0.779 62.673 62.100 -0.344 0.000 1.150 207 T CB -0.356 68.169 68.868 -0.571 0.000 0.864 207 T HN 0.404 nan 8.240 nan 0.000 0.427 208 W N 2.313 123.447 121.300 -0.278 0.000 2.302 208 W HA -0.178 4.482 4.660 0.000 0.000 0.320 208 W C 1.900 178.323 176.519 -0.160 0.000 1.241 208 W CA 1.480 58.702 57.345 -0.205 0.000 1.264 208 W CB -0.197 29.133 29.460 -0.217 0.000 1.154 208 W HN 0.262 nan 8.180 nan 0.000 0.483 209 K N 0.118 120.521 120.400 0.005 0.000 2.362 209 K HA -0.115 4.206 4.320 0.000 0.000 0.200 209 K C 2.055 178.595 176.600 -0.100 0.000 1.046 209 K CA 1.440 57.699 56.287 -0.046 0.000 0.952 209 K CB -0.244 32.248 32.500 -0.013 0.000 0.753 209 K HN 0.105 nan 8.250 nan 0.000 0.466 210 S N 0.418 116.042 115.700 -0.127 0.000 2.496 210 S HA 0.021 4.492 4.470 0.000 0.000 0.224 210 S C 0.608 175.123 174.600 -0.142 0.000 0.996 210 S CA 0.175 58.303 58.200 -0.120 0.000 0.927 210 S CB 0.103 63.231 63.200 -0.121 0.000 0.774 210 S HN -0.039 nan 8.310 nan 0.000 0.524 211 K N 1.909 122.183 120.400 -0.210 0.000 2.205 211 K HA 0.351 4.671 4.320 0.000 0.000 0.279 211 K C 0.500 176.974 176.600 -0.210 0.000 1.027 211 K CA -0.246 55.901 56.287 -0.233 0.000 0.932 211 K CB 1.189 33.476 32.500 -0.355 0.000 1.032 211 K HN 0.147 nan 8.250 nan 0.000 0.466 212 K N 1.131 121.439 120.400 -0.152 0.000 2.026 212 K HA -0.067 4.253 4.320 0.000 0.000 0.208 212 K C 0.236 176.755 176.600 -0.135 0.000 1.048 212 K CA 1.222 57.439 56.287 -0.117 0.000 0.929 212 K CB 0.152 32.602 32.500 -0.082 0.000 0.713 212 K HN 0.451 nan 8.250 nan 0.000 0.439 213 N N 0.874 119.479 118.700 -0.159 0.000 2.690 213 N HA 0.219 4.959 4.740 0.000 0.000 0.255 213 N C -2.959 172.412 175.510 -0.232 0.000 1.195 213 N CA -1.147 51.812 53.050 -0.151 0.000 0.790 213 N CB 1.937 40.380 38.487 -0.073 0.000 1.216 213 N HN -0.097 nan 8.380 nan 0.000 0.528 214 P HA 0.225 nan 4.420 nan 0.000 0.275 214 P C -0.215 176.738 177.300 -0.579 0.000 1.227 214 P CA -0.239 62.371 63.100 -0.816 0.000 0.781 214 P CB 0.965 31.506 31.700 -1.933 0.000 0.906 215 M N 2.431 121.776 119.600 -0.424 0.000 2.446 215 M HA 0.681 5.161 4.480 0.000 0.000 0.294 215 M C -1.095 175.159 176.300 -0.078 0.000 1.158 215 M CA -0.266 54.881 55.300 -0.255 0.000 0.899 215 M CB 2.403 34.887 32.600 -0.193 0.000 1.687 215 M HN 0.547 nan 8.290 nan 0.000 0.455 216 G N 3.703 112.566 108.800 0.105 0.000 2.619 216 G HA2 0.841 4.801 3.960 0.000 0.000 0.296 216 G HA3 0.841 4.801 3.960 0.000 0.000 0.296 216 G C -1.987 172.991 174.900 0.129 0.000 1.334 216 G CA -0.602 44.571 45.100 0.121 0.000 0.934 216 G HN 0.778 nan 8.290 nan 0.000 0.476 217 F N -0.371 119.543 119.950 -0.061 0.000 2.641 217 F HA 0.768 5.295 4.527 0.000 0.000 0.308 217 F C -0.128 175.658 175.800 -0.024 0.000 1.105 217 F CA -1.491 56.473 58.000 -0.060 0.000 0.964 217 F CB 1.260 40.208 39.000 -0.086 0.000 1.294 217 F HN 0.625 nan 8.300 nan 0.000 0.442 218 S N 1.208 116.969 115.700 0.102 0.000 2.610 218 S HA 0.582 5.052 4.470 0.000 0.000 0.273 218 S C -1.435 173.350 174.600 0.309 0.000 1.274 218 S CA -0.516 57.736 58.200 0.086 0.000 1.023 218 S CB 1.459 64.692 63.200 0.056 0.000 0.962 218 S HN 0.844 nan 8.310 nan 0.000 0.523 219 Y N 1.319 121.716 120.300 0.162 0.000 2.376 219 Y HA 0.377 4.927 4.550 0.000 0.000 0.326 219 Y C -0.869 175.150 175.900 0.198 0.000 0.970 219 Y CA -0.972 57.288 58.100 0.267 0.000 1.248 219 Y CB 1.066 39.776 38.460 0.417 0.000 1.117 219 Y HN 0.854 nan 8.280 nan 0.000 0.476 220 D N 4.331 124.611 120.400 -0.200 0.000 2.365 220 D HA 0.162 4.803 4.640 0.000 0.000 0.237 220 D C -0.483 175.658 176.300 -0.265 0.000 1.190 220 D CA 0.109 54.026 54.000 -0.139 0.000 0.867 220 D CB 0.828 41.581 40.800 -0.079 0.000 1.050 220 D HN 0.448 nan 8.370 nan 0.000 0.491 221 T N 3.964 118.514 114.554 -0.007 0.000 2.870 221 T HA 0.086 4.436 4.350 0.000 0.000 0.300 221 T C 0.569 175.340 174.700 0.118 0.000 0.989 221 T CA -0.409 61.767 62.100 0.127 0.000 1.139 221 T CB 0.569 69.734 68.868 0.494 0.000 0.920 221 T HN 0.307 nan 8.240 nan 0.000 0.537 222 R N 2.481 123.014 120.500 0.056 0.000 2.399 222 R HA 0.113 4.453 4.340 0.000 0.000 0.324 222 R C -0.255 176.146 176.300 0.169 0.000 1.030 222 R CA -0.223 55.914 56.100 0.061 0.000 0.984 222 R CB -0.868 29.411 30.300 -0.034 0.000 0.961 222 R HN 0.942 nan 8.270 nan 0.000 0.433 223 C N 5.343 124.773 119.300 0.217 0.000 3.004 223 C HA -0.166 4.294 4.460 0.000 0.000 0.267 223 C C 1.296 176.484 174.990 0.329 0.000 1.211 223 C CA 0.052 59.245 59.018 0.291 0.000 2.485 223 C CB -2.876 25.085 27.740 0.369 0.000 1.539 223 C HN 1.013 nan 8.230 nan 0.000 0.462 224 F N 1.714 121.777 119.950 0.189 0.000 2.091 224 F HA -0.180 4.347 4.527 0.000 0.000 0.299 224 F C 1.963 177.869 175.800 0.177 0.000 1.103 224 F CA 2.386 60.497 58.000 0.186 0.000 1.228 224 F CB 0.044 39.144 39.000 0.166 0.000 0.984 224 F HN 0.525 nan 8.300 nan 0.000 0.477 225 D N -0.357 120.257 120.400 0.356 0.000 2.104 225 D HA -0.179 4.461 4.640 0.000 0.000 0.194 225 D C 2.485 178.831 176.300 0.078 0.000 0.994 225 D CA 1.714 55.852 54.000 0.231 0.000 0.830 225 D CB -0.664 40.284 40.800 0.246 0.000 0.959 225 D HN 0.229 nan 8.370 nan 0.000 0.452 226 S N -0.362 115.399 115.700 0.103 0.000 2.399 226 S HA -0.136 4.334 4.470 0.000 0.000 0.231 226 S C 2.071 176.625 174.600 -0.077 0.000 1.022 226 S CA 1.605 59.771 58.200 -0.056 0.000 0.983 226 S CB -0.361 62.794 63.200 -0.075 0.000 0.803 226 S HN 0.556 nan 8.310 nan 0.000 0.480 227 T N -0.296 114.292 114.554 0.057 0.000 3.035 227 T HA 0.087 4.437 4.350 0.000 0.000 0.268 227 T C 0.655 175.290 174.700 -0.108 0.000 1.109 227 T CA 0.127 62.254 62.100 0.045 0.000 1.119 227 T CB -0.482 68.370 68.868 -0.027 0.000 0.900 227 T HN 0.054 nan 8.240 nan 0.000 0.503 228 V N 3.889 123.699 119.914 -0.172 0.000 2.479 228 V HA 0.327 4.447 4.120 0.000 0.000 0.281 228 V C 1.130 177.173 176.094 -0.085 0.000 1.031 228 V CA -0.178 62.042 62.300 -0.133 0.000 1.038 228 V CB 0.133 31.913 31.823 -0.071 0.000 0.981 228 V HN 0.726 nan 8.190 nan 0.000 0.478 229 T N 0.735 115.255 114.554 -0.058 0.000 2.923 229 T HA 0.333 4.684 4.350 0.000 0.000 0.281 229 T C 1.021 175.703 174.700 -0.030 0.000 0.995 229 T CA -0.338 61.733 62.100 -0.049 0.000 0.985 229 T CB 1.621 70.466 68.868 -0.037 0.000 1.114 229 T HN 0.681 nan 8.240 nan 0.000 0.548 230 E N 0.537 120.722 120.200 -0.026 0.000 2.058 230 E HA -0.301 4.049 4.350 0.000 0.000 0.194 230 E C 1.926 178.527 176.600 0.001 0.000 0.997 230 E CA 1.843 58.239 56.400 -0.006 0.000 0.801 230 E CB -0.276 29.421 29.700 -0.005 0.000 0.746 230 E HN 0.766 nan 8.360 nan 0.000 0.450 231 N N 0.727 119.424 118.700 -0.006 0.000 2.061 231 N HA -0.213 4.527 4.740 0.000 0.000 0.193 231 N C 1.497 177.017 175.510 0.018 0.000 1.030 231 N CA 2.256 55.307 53.050 0.001 0.000 0.856 231 N CB -0.153 38.326 38.487 -0.014 0.000 1.023 231 N HN 0.167 nan 8.380 nan 0.000 0.424 232 D N -0.044 120.366 120.400 0.017 0.000 2.123 232 D HA -0.141 4.500 4.640 0.000 0.000 0.196 232 D C 1.956 178.266 176.300 0.016 0.000 0.992 232 D CA 1.102 55.123 54.000 0.035 0.000 0.833 232 D CB -0.283 40.533 40.800 0.027 0.000 0.954 232 D HN 0.484 nan 8.370 nan 0.000 0.455 233 I N 0.429 121.008 120.570 0.016 0.000 2.439 233 I HA -0.140 4.031 4.170 0.000 0.000 0.251 233 I C 2.438 178.560 176.117 0.009 0.000 1.139 233 I CA 0.696 62.011 61.300 0.024 0.000 1.438 233 I CB -0.041 37.995 38.000 0.060 0.000 1.085 233 I HN -0.130 nan 8.210 nan 0.000 0.427 234 R N 0.035 120.539 120.500 0.008 0.000 2.115 234 R HA -0.044 4.296 4.340 0.000 0.000 0.226 234 R C 2.306 178.583 176.300 -0.039 0.000 1.100 234 R CA 0.868 56.966 56.100 -0.003 0.000 0.980 234 R CB -0.231 30.073 30.300 0.007 0.000 0.875 234 R HN 0.207 nan 8.270 nan 0.000 0.445 235 V N 2.233 122.126 119.914 -0.035 0.000 2.307 235 V HA -0.240 3.880 4.120 0.000 0.000 0.245 235 V C 2.380 178.381 176.094 -0.155 0.000 1.045 235 V CA 2.111 64.377 62.300 -0.056 0.000 1.024 235 V CB -0.539 31.291 31.823 0.012 0.000 0.651 235 V HN 0.472 nan 8.190 nan 0.000 0.449 236 E N 0.231 120.311 120.200 -0.200 0.000 2.153 236 E HA -0.296 4.054 4.350 0.000 0.000 0.194 236 E C 2.088 178.158 176.600 -0.884 0.000 0.988 236 E CA 1.597 57.732 56.400 -0.442 0.000 0.811 236 E CB -0.415 29.092 29.700 -0.321 0.000 0.746 236 E HN 0.666 nan 8.360 nan 0.000 0.466 237 E N 1.331 121.225 120.200 -0.510 0.000 2.072 237 E HA -0.177 4.174 4.350 0.000 0.000 0.191 237 E C 2.249 178.725 176.600 -0.206 0.000 0.985 237 E CA 1.594 57.796 56.400 -0.330 0.000 0.801 237 E CB -0.002 29.692 29.700 -0.010 0.000 0.750 237 E HN 0.392 nan 8.360 nan 0.000 0.452 238 S N 0.209 115.812 115.700 -0.161 0.000 2.419 238 S HA -0.109 4.362 4.470 0.000 0.000 0.233 238 S C 2.044 176.585 174.600 -0.098 0.000 1.016 238 S CA 0.791 58.938 58.200 -0.088 0.000 0.974 238 S CB -0.457 62.704 63.200 -0.064 0.000 0.786 238 S HN 0.274 nan 8.310 nan 0.000 0.492 239 I N -0.106 120.348 120.570 -0.194 0.000 2.406 239 I HA -0.067 4.104 4.170 0.000 0.000 0.249 239 I C 2.081 178.189 176.117 -0.015 0.000 1.122 239 I CA 0.929 62.146 61.300 -0.138 0.000 1.431 239 I CB -0.384 37.504 38.000 -0.186 0.000 1.087 239 I HN 0.216 nan 8.210 nan 0.000 0.424 240 Y N 0.930 121.228 120.300 -0.002 0.000 2.224 240 Y HA -0.171 4.379 4.550 0.000 0.000 0.289 240 Y C 2.567 178.472 175.900 0.009 0.000 1.146 240 Y CA 0.550 58.652 58.100 0.004 0.000 1.182 240 Y CB -0.980 37.495 38.460 0.025 0.000 0.983 240 Y HN 0.218 nan 8.280 nan 0.000 0.524 241 Q N -1.301 118.585 119.800 0.144 0.000 2.435 241 Q HA -0.076 4.264 4.340 0.000 0.000 0.207 241 Q C 2.281 178.314 176.000 0.055 0.000 0.956 241 Q CA 0.637 56.494 55.803 0.090 0.000 0.917 241 Q CB -0.647 28.127 28.738 0.060 0.000 0.997 241 Q HN 0.503 nan 8.270 nan 0.000 0.497 242 C N 0.354 119.680 119.300 0.044 0.000 2.432 242 C HA -0.056 4.404 4.460 0.000 0.000 0.280 242 C C 1.571 176.579 174.990 0.030 0.000 1.353 242 C CA -0.494 58.539 59.018 0.025 0.000 1.766 242 C CB -0.604 27.142 27.740 0.010 0.000 1.924 242 C HN 0.419 nan 8.230 nan 0.000 0.509 243 C N 1.820 121.147 119.300 0.046 0.000 2.689 243 C HA 0.076 4.537 4.460 0.000 0.000 0.409 243 C C 0.641 175.651 174.990 0.033 0.000 1.293 243 C CA -0.384 58.656 59.018 0.037 0.000 2.136 243 C CB -0.288 27.479 27.740 0.045 0.000 2.719 243 C HN 0.496 nan 8.230 nan 0.000 0.644 244 D N 1.996 122.410 120.400 0.024 0.000 2.348 244 D HA 0.306 4.947 4.640 0.000 0.000 0.259 244 D C -0.603 175.716 176.300 0.032 0.000 1.296 244 D CA 0.416 54.431 54.000 0.025 0.000 0.931 244 D CB 0.064 40.874 40.800 0.018 0.000 1.067 244 D HN 0.372 nan 8.370 nan 0.000 0.503 245 L N 2.108 123.355 121.223 0.040 0.000 2.333 245 L HA 0.578 4.918 4.340 0.000 0.000 0.269 245 L C 0.621 177.523 176.870 0.052 0.000 1.010 245 L CA -1.252 53.619 54.840 0.051 0.000 0.818 245 L CB 1.724 43.821 42.059 0.063 0.000 1.306 245 L HN 0.241 nan 8.230 nan 0.000 0.430 246 A N 2.149 125.007 122.820 0.063 0.000 2.520 246 A HA 0.293 4.613 4.320 0.000 0.000 0.235 246 A C -1.767 175.861 177.584 0.074 0.000 1.065 246 A CA -0.722 51.356 52.037 0.068 0.000 0.764 246 A CB -0.251 18.799 19.000 0.083 0.000 1.002 246 A HN 0.654 nan 8.150 nan 0.000 0.502 247 P HA -0.099 nan 4.420 nan 0.000 0.222 247 P C 0.936 178.268 177.300 0.053 0.000 1.147 247 P CA 1.198 64.327 63.100 0.048 0.000 0.790 247 P CB 0.231 31.953 31.700 0.036 0.000 0.780 248 E N -0.459 119.800 120.200 0.100 0.000 2.158 248 E HA -0.045 4.305 4.350 0.000 0.000 0.191 248 E C 2.028 178.713 176.600 0.141 0.000 0.982 248 E CA 0.896 57.377 56.400 0.135 0.000 0.823 248 E CB -0.364 29.517 29.700 0.302 0.000 0.766 248 E HN 0.176 nan 8.360 nan 0.000 0.468 249 A N 1.841 124.776 122.820 0.192 0.000 1.898 249 A HA -0.169 4.152 4.320 0.000 0.000 0.216 249 A C 2.100 179.732 177.584 0.080 0.000 1.181 249 A CA 1.017 53.164 52.037 0.183 0.000 0.620 249 A CB -0.355 18.747 19.000 0.171 0.000 0.819 249 A HN 0.063 nan 8.150 nan 0.000 0.442 250 R N -1.043 119.493 120.500 0.060 0.000 2.083 250 R HA -0.215 4.125 4.340 0.000 0.000 0.237 250 R C 2.501 178.801 176.300 0.001 0.000 1.137 250 R CA 1.871 57.994 56.100 0.040 0.000 0.951 250 R CB -0.308 30.012 30.300 0.034 0.000 0.851 250 R HN 0.645 nan 8.270 nan 0.000 0.434 251 Q N 0.533 120.310 119.800 -0.038 0.000 2.083 251 Q HA -0.039 4.301 4.340 0.000 0.000 0.198 251 Q C 1.913 177.818 176.000 -0.159 0.000 0.969 251 Q CA 1.865 57.614 55.803 -0.091 0.000 0.838 251 Q CB -0.207 28.466 28.738 -0.109 0.000 0.900 251 Q HN 0.323 nan 8.270 nan 0.000 0.436 252 A N 0.271 122.947 122.820 -0.241 0.000 1.902 252 A HA -0.146 4.174 4.320 0.000 0.000 0.217 252 A C 2.140 179.634 177.584 -0.151 0.000 1.181 252 A CA 1.543 53.365 52.037 -0.359 0.000 0.623 252 A CB -0.768 17.857 19.000 -0.625 0.000 0.818 252 A HN 0.478 nan 8.150 nan 0.000 0.443 253 I N -0.483 120.070 120.570 -0.027 0.000 2.179 253 I HA -0.272 3.898 4.170 0.000 0.000 0.242 253 I C 2.559 178.723 176.117 0.079 0.000 1.088 253 I CA 1.899 63.248 61.300 0.081 0.000 1.357 253 I CB -0.242 37.846 38.000 0.147 0.000 1.051 253 I HN 0.399 nan 8.210 nan 0.000 0.409 254 K N 0.542 120.962 120.400 0.033 0.000 2.063 254 K HA -0.234 4.086 4.320 0.000 0.000 0.208 254 K C 2.350 178.934 176.600 -0.027 0.000 1.048 254 K CA 1.974 58.272 56.287 0.018 0.000 0.928 254 K CB -0.140 32.359 32.500 -0.002 0.000 0.713 254 K HN 0.186 nan 8.250 nan 0.000 0.442 255 S N 0.604 116.256 115.700 -0.079 0.000 2.355 255 S HA -0.075 4.395 4.470 0.000 0.000 0.222 255 S C 2.003 176.509 174.600 -0.158 0.000 1.031 255 S CA 0.935 59.064 58.200 -0.119 0.000 0.993 255 S CB -0.254 62.847 63.200 -0.164 0.000 0.859 255 S HN 0.380 nan 8.310 nan 0.000 0.453 256 L N 0.858 121.957 121.223 -0.207 0.000 2.131 256 L HA -0.088 4.252 4.340 0.000 0.000 0.210 256 L C 2.778 179.337 176.870 -0.517 0.000 1.092 256 L CA 1.501 56.090 54.840 -0.419 0.000 0.759 256 L CB -0.875 40.886 42.059 -0.497 0.000 0.903 256 L HN 0.359 nan 8.230 nan 0.000 0.435 257 T N -1.112 113.352 114.554 -0.149 0.000 2.701 257 T HA -0.129 4.221 4.350 0.000 0.000 0.263 257 T C 1.793 176.506 174.700 0.021 0.000 1.040 257 T CA 1.054 63.204 62.100 0.083 0.000 1.147 257 T CB -0.054 68.926 68.868 0.186 0.000 0.865 257 T HN 0.274 nan 8.240 nan 0.000 0.426 258 E N 1.127 121.319 120.200 -0.015 0.000 2.106 258 E HA -0.028 4.322 4.350 0.000 0.000 0.192 258 E C 2.288 178.870 176.600 -0.029 0.000 0.984 258 E CA 0.946 57.339 56.400 -0.012 0.000 0.806 258 E CB -0.103 29.585 29.700 -0.019 0.000 0.750 258 E HN 0.438 nan 8.360 nan 0.000 0.458 259 R N -0.597 119.858 120.500 -0.076 0.000 2.265 259 R HA 0.121 4.461 4.340 0.000 0.000 0.194 259 R C 1.726 177.968 176.300 -0.097 0.000 0.931 259 R CA 0.213 56.267 56.100 -0.076 0.000 1.032 259 R CB 0.366 30.612 30.300 -0.091 0.000 0.980 259 R HN 0.039 nan 8.270 nan 0.000 0.497 260 L N -2.473 118.659 121.223 -0.152 0.000 2.678 260 L HA 0.197 4.537 4.340 0.000 0.000 0.187 260 L C 1.183 178.049 176.870 -0.007 0.000 1.073 260 L CA 0.629 55.380 54.840 -0.148 0.000 0.883 260 L CB -0.284 41.600 42.059 -0.292 0.000 1.501 260 L HN -0.159 nan 8.230 nan 0.000 0.488 261 Y N 0.638 120.952 120.300 0.023 0.000 2.145 261 Y HA -0.095 4.455 4.550 0.000 0.000 0.286 261 Y C 2.609 178.515 175.900 0.010 0.000 1.145 261 Y CA 1.700 59.823 58.100 0.038 0.000 1.148 261 Y CB -0.956 37.551 38.460 0.078 0.000 0.981 261 Y HN 0.120 nan 8.280 nan 0.000 0.507 262 I N -0.903 119.765 120.570 0.163 0.000 2.194 262 I HA -0.184 3.986 4.170 0.000 0.000 0.246 262 I C 1.322 177.449 176.117 0.016 0.000 1.093 262 I CA 1.749 63.093 61.300 0.074 0.000 1.355 262 I CB -0.446 37.588 38.000 0.057 0.000 1.046 262 I HN 0.345 nan 8.210 nan 0.000 0.413 263 G N -1.565 107.225 108.800 -0.017 0.000 2.317 263 G HA2 0.492 4.452 3.960 0.000 0.000 0.293 263 G HA3 0.492 4.452 3.960 0.000 0.000 0.293 263 G C -0.932 173.819 174.900 -0.249 0.000 1.287 263 G CA -0.175 44.843 45.100 -0.137 0.000 0.850 263 G HN 0.516 nan 8.290 nan 0.000 0.515 264 G N -1.084 107.306 108.800 -0.684 0.000 2.352 264 G HA2 0.625 4.585 3.960 0.000 0.000 0.302 264 G HA3 0.625 4.585 3.960 0.000 0.000 0.302 264 G C -3.469 170.835 174.900 -0.994 0.000 1.370 264 G CA 0.125 44.780 45.100 -0.743 0.000 0.918 264 G HN 0.819 nan 8.290 nan 0.000 0.610 265 P HA 0.481 nan 4.420 nan 0.000 0.271 265 P C -0.479 176.737 177.300 -0.140 0.000 1.218 265 P CA -0.123 62.870 63.100 -0.178 0.000 0.780 265 P CB 1.085 32.809 31.700 0.040 0.000 0.901 266 L N 2.110 123.296 121.223 -0.062 0.000 2.329 266 L HA 0.540 4.880 4.340 0.000 0.000 0.279 266 L C 0.468 177.343 176.870 0.008 0.000 1.014 266 L CA -0.238 54.587 54.840 -0.024 0.000 0.814 266 L CB 1.863 43.948 42.059 0.043 0.000 1.257 266 L HN 0.288 nan 8.230 nan 0.000 0.424 267 T N 0.961 115.499 114.554 -0.027 0.000 2.861 267 T HA 0.349 4.700 4.350 0.000 0.000 0.287 267 T C -0.416 174.263 174.700 -0.036 0.000 1.003 267 T CA -0.870 61.216 62.100 -0.022 0.000 0.977 267 T CB 1.659 70.501 68.868 -0.044 0.000 0.996 267 T HN 0.668 nan 8.240 nan 0.000 0.448 268 N N 0.445 119.139 118.700 -0.009 0.000 2.364 268 N HA 0.150 4.890 4.740 0.000 0.000 0.264 268 N C 1.441 176.938 175.510 -0.021 0.000 1.263 268 N CA -0.288 52.757 53.050 -0.010 0.000 0.959 268 N CB 0.149 38.641 38.487 0.008 0.000 1.204 268 N HN 0.475 nan 8.380 nan 0.000 0.550 269 S N -1.150 114.548 115.700 -0.004 0.000 2.469 269 S HA -0.110 4.361 4.470 0.000 0.000 0.238 269 S C 0.941 175.536 174.600 -0.008 0.000 0.998 269 S CA 0.742 58.944 58.200 0.002 0.000 0.957 269 S CB -0.439 62.778 63.200 0.027 0.000 0.764 269 S HN 0.641 nan 8.310 nan 0.000 0.514 270 K N 0.449 120.844 120.400 -0.008 0.000 2.374 270 K HA 0.306 4.626 4.320 0.000 0.000 0.196 270 K C 1.125 177.715 176.600 -0.016 0.000 1.023 270 K CA 0.345 56.627 56.287 -0.010 0.000 1.103 270 K CB 0.117 32.615 32.500 -0.002 0.000 0.848 270 K HN 0.507 nan 8.250 nan 0.000 0.528 271 G N 1.928 110.715 108.800 -0.022 0.000 2.132 271 G HA2 -0.282 3.678 3.960 0.000 0.000 0.234 271 G HA3 -0.282 3.678 3.960 0.000 0.000 0.234 271 G C -0.324 174.570 174.900 -0.010 0.000 0.989 271 G CA -0.124 44.960 45.100 -0.026 0.000 0.676 271 G HN 0.337 nan 8.290 nan 0.000 0.522 272 Q N 0.100 119.900 119.800 0.000 0.000 2.235 272 Q HA 0.334 4.674 4.340 0.000 0.000 0.250 272 Q C 0.445 176.461 176.000 0.026 0.000 0.909 272 Q CA -0.594 55.217 55.803 0.014 0.000 0.910 272 Q CB 1.027 29.777 28.738 0.019 0.000 1.223 272 Q HN 0.398 nan 8.270 nan 0.000 0.432 273 N N 1.523 120.245 118.700 0.037 0.000 2.452 273 N HA -0.007 4.734 4.740 0.000 0.000 0.266 273 N C -0.392 175.169 175.510 0.085 0.000 1.175 273 N CA -0.247 52.836 53.050 0.055 0.000 0.945 273 N CB 0.570 39.091 38.487 0.056 0.000 1.063 273 N HN 0.602 nan 8.380 nan 0.000 0.472 274 C N 2.842 122.210 119.300 0.113 0.000 3.065 274 C HA 0.442 4.902 4.460 0.000 0.000 0.285 274 C C 1.101 176.260 174.990 0.282 0.000 1.257 274 C CA 0.516 59.651 59.018 0.196 0.000 1.691 274 C CB -0.960 26.908 27.740 0.213 0.000 2.089 274 C HN 0.989 nan 8.230 nan 0.000 0.630 275 G N -0.680 108.218 108.800 0.163 0.000 2.247 275 G HA2 0.159 4.119 3.960 0.000 0.000 0.229 275 G HA3 0.159 4.119 3.960 0.000 0.000 0.229 275 G C -1.861 173.086 174.900 0.078 0.000 1.345 275 G CA -0.392 44.766 45.100 0.096 0.000 1.100 275 G HN 0.071 nan 8.290 nan 0.000 0.473 276 Y N 0.673 120.865 120.300 -0.179 0.000 2.504 276 Y HA 0.770 5.320 4.550 0.000 0.000 0.344 276 Y C -0.059 175.714 175.900 -0.212 0.000 1.023 276 Y CA -0.803 57.206 58.100 -0.151 0.000 1.020 276 Y CB 2.012 40.394 38.460 -0.129 0.000 1.282 276 Y HN 0.744 nan 8.280 nan 0.000 0.454 277 R N 4.305 124.541 120.500 -0.439 0.000 2.562 277 R HA 0.579 4.919 4.340 0.000 0.000 0.298 277 R C -0.863 175.235 176.300 -0.337 0.000 0.961 277 R CA -0.669 55.181 56.100 -0.417 0.000 0.881 277 R CB 1.221 31.339 30.300 -0.303 0.000 1.159 277 R HN 0.939 nan 8.270 nan 0.000 0.450 278 R N 2.648 122.937 120.500 -0.352 0.000 2.659 278 R HA 0.221 4.561 4.340 0.000 0.000 0.418 278 R C -0.589 175.576 176.300 -0.224 0.000 1.076 278 R CA -0.255 55.733 56.100 -0.186 0.000 1.093 278 R CB 0.456 30.690 30.300 -0.109 0.000 1.400 278 R HN 0.780 nan 8.270 nan 0.000 0.583 279 C N -2.042 117.081 119.300 -0.295 0.000 3.321 279 C HA 0.618 5.078 4.460 0.000 0.000 0.363 279 C C -0.327 174.591 174.990 -0.120 0.000 1.705 279 C CA -1.557 57.323 59.018 -0.230 0.000 1.298 279 C CB 1.224 28.752 27.740 -0.353 0.000 2.086 279 C HN 0.336 nan 8.230 nan 0.000 0.438 280 R N 1.182 121.659 120.500 -0.039 0.000 2.522 280 R HA 0.486 4.826 4.340 0.000 0.000 0.284 280 R C 0.079 176.427 176.300 0.079 0.000 1.032 280 R CA 0.951 57.081 56.100 0.050 0.000 1.049 280 R CB -0.015 30.353 30.300 0.114 0.000 0.956 280 R HN 1.191 nan 8.270 nan 0.000 0.422 281 A N 3.430 126.314 122.820 0.107 0.000 2.328 281 A HA 0.247 4.567 4.320 0.000 0.000 0.284 281 A C 0.864 178.546 177.584 0.164 0.000 1.160 281 A CA -0.008 52.116 52.037 0.145 0.000 0.818 281 A CB 0.592 19.686 19.000 0.155 0.000 1.087 281 A HN 1.002 nan 8.150 nan 0.000 0.504 282 S N 1.877 117.689 115.700 0.187 0.000 2.527 282 S HA 0.085 4.556 4.470 0.000 0.000 0.222 282 S C 1.093 175.794 174.600 0.169 0.000 0.985 282 S CA 0.679 58.985 58.200 0.177 0.000 0.921 282 S CB 0.107 63.418 63.200 0.184 0.000 0.772 282 S HN 1.203 nan 8.310 nan 0.000 0.529 283 G N 1.878 110.802 108.800 0.207 0.000 4.098 283 G HA2 0.504 4.464 3.960 0.000 0.000 0.300 283 G HA3 0.504 4.464 3.960 0.000 0.000 0.300 283 G C -0.040 174.993 174.900 0.223 0.000 1.187 283 G CA -0.027 45.205 45.100 0.221 0.000 0.964 283 G HN 0.565 nan 8.290 nan 0.000 0.559 284 V N -2.413 117.614 119.914 0.188 0.000 3.019 284 V HA 0.616 4.736 4.120 0.000 0.000 0.317 284 V C 1.396 177.572 176.094 0.136 0.000 1.094 284 V CA -0.904 61.523 62.300 0.211 0.000 1.000 284 V CB 1.771 33.788 31.823 0.323 0.000 1.060 284 V HN 0.058 nan 8.190 nan 0.000 0.443 285 L N 2.436 123.754 121.223 0.158 0.000 2.083 285 L HA -0.018 4.322 4.340 0.000 0.000 0.209 285 L C 2.259 179.144 176.870 0.024 0.000 1.083 285 L CA 3.056 57.967 54.840 0.119 0.000 0.752 285 L CB -0.779 41.378 42.059 0.163 0.000 0.899 285 L HN 1.080 nan 8.230 nan 0.000 0.433 286 T N -5.629 108.858 114.554 -0.111 0.000 3.169 286 T HA 0.012 4.362 4.350 0.000 0.000 0.250 286 T C 1.542 176.177 174.700 -0.109 0.000 1.111 286 T CA 0.689 62.668 62.100 -0.201 0.000 1.010 286 T CB -0.752 67.836 68.868 -0.467 0.000 0.984 286 T HN 0.275 nan 8.240 nan 0.000 0.537 287 T N 2.135 116.662 114.554 -0.045 0.000 2.684 287 T HA -0.165 4.185 4.350 0.000 0.000 0.267 287 T C 2.257 176.982 174.700 0.043 0.000 1.036 287 T CA 1.861 63.976 62.100 0.025 0.000 1.148 287 T CB -0.575 68.333 68.868 0.067 0.000 0.863 287 T HN 0.605 nan 8.240 nan 0.000 0.436 288 S N -0.130 115.570 115.700 0.000 0.000 2.357 288 S HA -0.126 4.344 4.470 0.000 0.000 0.221 288 S C 2.446 177.073 174.600 0.045 0.000 1.031 288 S CA 1.326 59.520 58.200 -0.010 0.000 0.982 288 S CB -0.990 62.101 63.200 -0.182 0.000 0.853 288 S HN 0.647 nan 8.310 nan 0.000 0.458 289 C N 1.412 120.710 119.300 -0.005 0.000 2.429 289 C HA 0.121 4.581 4.460 0.000 0.000 0.277 289 C C 2.839 177.890 174.990 0.101 0.000 1.262 289 C CA 1.076 60.114 59.018 0.033 0.000 1.733 289 C CB -1.854 25.861 27.740 -0.042 0.000 2.010 289 C HN 0.736 nan 8.230 nan 0.000 0.483 290 G N 0.538 109.403 108.800 0.109 0.000 2.421 290 G HA2 -0.214 3.747 3.960 0.000 0.000 0.216 290 G HA3 -0.214 3.747 3.960 0.000 0.000 0.216 290 G C 1.498 176.505 174.900 0.179 0.000 1.171 290 G CA 1.070 46.253 45.100 0.138 0.000 0.775 290 G HN 0.582 nan 8.290 nan 0.000 0.543 291 N N 0.548 119.362 118.700 0.191 0.000 2.104 291 N HA -0.095 4.646 4.740 0.000 0.000 0.190 291 N C 2.383 177.953 175.510 0.099 0.000 1.024 291 N CA 1.746 54.924 53.050 0.214 0.000 0.853 291 N CB -0.812 37.698 38.487 0.039 0.000 1.008 291 N HN 0.277 nan 8.380 nan 0.000 0.424 292 T N 1.557 116.176 114.554 0.107 0.000 2.777 292 T HA 0.016 4.366 4.350 0.000 0.000 0.266 292 T C 2.140 176.933 174.700 0.156 0.000 1.040 292 T CA 0.597 62.773 62.100 0.126 0.000 1.141 292 T CB -0.229 68.775 68.868 0.227 0.000 0.868 292 T HN 0.131 nan 8.240 nan 0.000 0.444 293 L N 0.677 121.982 121.223 0.137 0.000 2.027 293 L HA -0.105 4.235 4.340 0.000 0.000 0.206 293 L C 2.944 179.925 176.870 0.185 0.000 1.074 293 L CA 1.246 56.161 54.840 0.125 0.000 0.745 293 L CB -0.971 41.126 42.059 0.063 0.000 0.898 293 L HN 0.283 nan 8.230 nan 0.000 0.433 294 T N -1.458 113.224 114.554 0.214 0.000 2.777 294 T HA -0.215 4.135 4.350 0.000 0.000 0.266 294 T C 1.999 176.906 174.700 0.345 0.000 1.040 294 T CA 1.352 63.606 62.100 0.258 0.000 1.141 294 T CB -0.447 68.600 68.868 0.298 0.000 0.868 294 T HN 0.430 nan 8.240 nan 0.000 0.444 295 C N 0.698 120.251 119.300 0.421 0.000 2.429 295 C HA -0.071 4.389 4.460 0.000 0.000 0.277 295 C C 2.421 177.579 174.990 0.281 0.000 1.262 295 C CA 0.500 59.749 59.018 0.384 0.000 1.733 295 C CB -1.309 26.527 27.740 0.160 0.000 2.010 295 C HN 0.666 nan 8.230 nan 0.000 0.483 296 Y N 0.816 121.186 120.300 0.116 0.000 2.263 296 Y HA -0.025 4.525 4.550 0.000 0.000 0.292 296 Y C 2.108 178.040 175.900 0.053 0.000 1.130 296 Y CA 1.797 59.944 58.100 0.079 0.000 1.179 296 Y CB -0.555 37.938 38.460 0.055 0.000 0.998 296 Y HN 0.310 nan 8.280 nan 0.000 0.532 297 L N 1.250 122.538 121.223 0.109 0.000 1.989 297 L HA -0.211 4.129 4.340 0.000 0.000 0.211 297 L C 2.106 178.906 176.870 -0.116 0.000 1.071 297 L CA 2.094 56.888 54.840 -0.077 0.000 0.749 297 L CB -0.876 41.134 42.059 -0.081 0.000 0.890 297 L HN 0.153 nan 8.230 nan 0.000 0.431 298 K N -0.554 119.856 120.400 0.017 0.000 2.057 298 K HA -0.054 4.267 4.320 0.000 0.000 0.206 298 K C 2.097 178.748 176.600 0.086 0.000 1.050 298 K CA 1.239 57.567 56.287 0.069 0.000 0.935 298 K CB -0.412 32.212 32.500 0.206 0.000 0.715 298 K HN 0.504 nan 8.250 nan 0.000 0.439 299 A N 1.281 124.132 122.820 0.052 0.000 1.877 299 A HA -0.167 4.153 4.320 0.000 0.000 0.216 299 A C 2.245 179.855 177.584 0.044 0.000 1.186 299 A CA 1.959 54.039 52.037 0.072 0.000 0.620 299 A CB -0.642 18.471 19.000 0.188 0.000 0.822 299 A HN 0.186 nan 8.150 nan 0.000 0.443 300 S N -0.038 115.581 115.700 -0.136 0.000 2.383 300 S HA -0.062 4.408 4.470 0.000 0.000 0.229 300 S C 2.242 176.791 174.600 -0.085 0.000 1.030 300 S CA 1.275 59.358 58.200 -0.194 0.000 1.002 300 S CB -0.444 62.474 63.200 -0.470 0.000 0.829 300 S HN 0.801 nan 8.310 nan 0.000 0.467 301 A N 1.406 124.199 122.820 -0.045 0.000 1.929 301 A HA 0.290 4.611 4.320 0.000 0.000 0.216 301 A C 2.343 180.006 177.584 0.132 0.000 1.176 301 A CA 1.387 53.463 52.037 0.065 0.000 0.628 301 A CB -0.976 18.069 19.000 0.074 0.000 0.816 301 A HN 0.497 nan 8.150 nan 0.000 0.444 302 A N -0.848 122.050 122.820 0.129 0.000 1.972 302 A HA -0.206 4.114 4.320 0.000 0.000 0.219 302 A C 2.364 179.926 177.584 -0.037 0.000 1.169 302 A CA 1.668 53.611 52.037 -0.157 0.000 0.635 302 A CB -1.412 17.143 19.000 -0.741 0.000 0.810 302 A HN 0.936 nan 8.150 nan 0.000 0.446 303 c N -0.047 118.639 118.600 0.142 0.000 2.425 303 c HA -0.057 4.513 4.570 0.000 0.000 0.277 303 c C 2.799 176.898 174.090 0.015 0.000 1.280 303 c CA 1.302 57.765 56.329 0.223 0.000 1.744 303 c CB -1.288 41.334 42.510 0.187 0.000 1.989 303 c HN 0.633 nan 8.230 nan 0.000 0.491 304 R N 0.776 121.188 120.500 -0.147 0.000 2.090 304 R HA 0.047 4.387 4.340 0.000 0.000 0.228 304 R C 2.558 178.573 176.300 -0.475 0.000 1.110 304 R CA 1.398 57.268 56.100 -0.383 0.000 0.973 304 R CB -0.502 29.399 30.300 -0.664 0.000 0.869 304 R HN 0.600 nan 8.270 nan 0.000 0.440 305 A N 1.406 124.014 122.820 -0.354 0.000 1.898 305 A HA -0.034 4.286 4.320 0.000 0.000 0.216 305 A C 2.244 179.819 177.584 -0.015 0.000 1.181 305 A CA 1.576 53.570 52.037 -0.071 0.000 0.620 305 A CB -0.439 18.588 19.000 0.046 0.000 0.819 305 A HN 0.361 nan 8.150 nan 0.000 0.442 306 A N -1.305 121.514 122.820 -0.001 0.000 2.208 306 A HA 0.213 4.533 4.320 0.000 0.000 0.209 306 A C 0.990 178.594 177.584 0.032 0.000 1.161 306 A CA 0.794 52.856 52.037 0.042 0.000 0.782 306 A CB -0.433 18.644 19.000 0.129 0.000 0.816 306 A HN 0.474 nan 8.150 nan 0.000 0.477 307 K N -1.255 119.149 120.400 0.006 0.000 3.096 307 K HA -0.159 4.161 4.320 0.000 0.000 0.266 307 K C -1.003 175.607 176.600 0.016 0.000 1.043 307 K CA 0.186 56.475 56.287 0.003 0.000 0.758 307 K CB -1.765 30.742 32.500 0.011 0.000 1.260 307 K HN 0.312 nan 8.250 nan 0.000 0.481 308 L N 1.825 123.068 121.223 0.033 0.000 2.455 308 L HA 0.016 4.356 4.340 0.000 0.000 0.272 308 L C 0.970 177.848 176.870 0.013 0.000 1.174 308 L CA 0.828 55.689 54.840 0.035 0.000 0.869 308 L CB 0.660 42.761 42.059 0.070 0.000 1.130 308 L HN 0.082 nan 8.230 nan 0.000 0.474 309 Q N 2.938 122.739 119.800 0.001 0.000 2.307 309 Q HA 0.068 4.408 4.340 0.000 0.000 0.259 309 Q C 0.078 176.064 176.000 -0.022 0.000 0.998 309 Q CA -0.176 55.620 55.803 -0.011 0.000 0.923 309 Q CB 0.322 29.050 28.738 -0.017 0.000 1.196 309 Q HN 0.544 nan 8.270 nan 0.000 0.416 310 D N 1.085 121.473 120.400 -0.020 0.000 2.735 310 D HA -0.190 4.450 4.640 0.000 0.000 0.235 310 D C -0.635 175.646 176.300 -0.032 0.000 1.175 310 D CA 0.316 54.301 54.000 -0.026 0.000 0.683 310 D CB -1.008 39.769 40.800 -0.038 0.000 1.008 310 D HN 0.667 nan 8.370 nan 0.000 0.416 311 c N 0.455 119.044 118.600 -0.018 0.000 2.576 311 c HA 0.721 5.291 4.570 0.000 0.000 0.401 311 c C 0.697 174.778 174.090 -0.015 0.000 1.314 311 c CA -0.612 55.702 56.329 -0.024 0.000 1.855 311 c CB 0.460 42.971 42.510 0.001 0.000 2.537 311 c HN 0.451 nan 8.230 nan 0.000 0.578 312 T N 6.095 120.631 114.554 -0.031 0.000 2.758 312 T HA 0.471 4.822 4.350 0.000 0.000 0.285 312 T C -0.221 174.498 174.700 0.033 0.000 0.981 312 T CA -0.080 62.031 62.100 0.019 0.000 0.965 312 T CB 1.084 69.947 68.868 -0.009 0.000 0.927 312 T HN 0.782 nan 8.240 nan 0.000 0.448 313 M N 3.528 123.196 119.600 0.113 0.000 2.277 313 M HA 0.582 5.062 4.480 0.000 0.000 0.350 313 M C -1.122 175.288 176.300 0.183 0.000 1.180 313 M CA -0.931 54.441 55.300 0.121 0.000 1.103 313 M CB 0.952 33.665 32.600 0.187 0.000 1.577 313 M HN 0.455 nan 8.290 nan 0.000 0.459 314 L N 5.316 126.604 121.223 0.108 0.000 2.406 314 L HA 0.689 5.029 4.340 0.000 0.000 0.270 314 L C -1.721 175.141 176.870 -0.012 0.000 0.982 314 L CA -0.327 54.562 54.840 0.080 0.000 0.843 314 L CB 1.531 43.656 42.059 0.110 0.000 1.225 314 L HN 0.482 nan 8.230 nan 0.000 0.412 315 V N 4.176 124.060 119.914 -0.050 0.000 2.487 315 V HA 0.568 4.688 4.120 0.000 0.000 0.298 315 V C -0.620 175.273 176.094 -0.335 0.000 1.028 315 V CA -0.626 61.618 62.300 -0.093 0.000 0.860 315 V CB 1.853 33.715 31.823 0.064 0.000 0.991 315 V HN 0.760 nan 8.190 nan 0.000 0.427 316 N N 3.740 122.180 118.700 -0.434 0.000 2.623 316 N HA 0.605 5.346 4.740 0.000 0.000 0.256 316 N C 0.683 176.006 175.510 -0.311 0.000 1.045 316 N CA 0.562 53.101 53.050 -0.852 0.000 0.863 316 N CB 1.696 39.541 38.487 -1.069 0.000 1.182 316 N HN 1.023 nan 8.380 nan 0.000 0.523 317 G N 2.566 111.374 108.800 0.012 0.000 2.660 317 G HA2 -0.426 3.534 3.960 0.000 0.000 0.321 317 G HA3 -0.426 3.534 3.960 0.000 0.000 0.321 317 G C 0.615 175.368 174.900 -0.246 0.000 1.246 317 G CA 0.968 46.087 45.100 0.031 0.000 1.000 317 G HN 0.645 nan 8.290 nan 0.000 0.550 318 D N 1.235 121.402 120.400 -0.388 0.000 2.349 318 D HA 0.112 4.752 4.640 0.000 0.000 0.224 318 D C 0.438 176.571 176.300 -0.279 0.000 1.029 318 D CA 0.895 54.446 54.000 -0.748 0.000 0.879 318 D CB -0.084 40.279 40.800 -0.728 0.000 0.906 318 D HN 0.426 nan 8.370 nan 0.000 0.528 319 D N 0.500 120.806 120.400 -0.157 0.000 2.232 319 D HA 0.326 4.966 4.640 0.000 0.000 0.242 319 D C -1.134 175.137 176.300 -0.049 0.000 1.093 319 D CA -0.646 53.313 54.000 -0.069 0.000 0.845 319 D CB 1.244 41.997 40.800 -0.079 0.000 1.124 319 D HN 0.021 nan 8.370 nan 0.000 0.467 320 L N 5.443 126.686 121.223 0.033 0.000 2.406 320 L HA 0.442 4.782 4.340 0.000 0.000 0.272 320 L C -1.724 175.154 176.870 0.012 0.000 0.980 320 L CA -0.709 54.167 54.840 0.060 0.000 0.831 320 L CB 1.746 43.919 42.059 0.190 0.000 1.253 320 L HN 0.158 nan 8.230 nan 0.000 0.406 321 V N 6.140 126.012 119.914 -0.069 0.000 2.604 321 V HA 0.813 4.933 4.120 0.000 0.000 0.305 321 V C -1.255 174.679 176.094 -0.267 0.000 1.043 321 V CA -0.361 61.834 62.300 -0.175 0.000 0.888 321 V CB 2.310 34.062 31.823 -0.119 0.000 0.995 321 V HN 0.558 nan 8.190 nan 0.000 0.429 322 V N 7.583 127.156 119.914 -0.569 0.000 2.588 322 V HA 0.585 4.705 4.120 0.000 0.000 0.304 322 V C -0.394 175.421 176.094 -0.466 0.000 1.042 322 V CA -0.470 61.476 62.300 -0.590 0.000 0.877 322 V CB 1.741 32.947 31.823 -1.028 0.000 0.996 322 V HN 0.750 nan 8.190 nan 0.000 0.425 323 I N 4.783 125.221 120.570 -0.221 0.000 2.465 323 I HA 0.728 4.898 4.170 0.000 0.000 0.291 323 I C -0.018 176.022 176.117 -0.128 0.000 1.014 323 I CA -0.314 60.913 61.300 -0.122 0.000 1.093 323 I CB 1.725 39.710 38.000 -0.025 0.000 1.267 323 I HN 0.892 nan 8.210 nan 0.000 0.431 324 C N 2.218 121.440 119.300 -0.130 0.000 3.336 324 C HA 0.592 5.052 4.460 0.000 0.000 0.352 324 C C -0.544 174.360 174.990 -0.143 0.000 1.567 324 C CA -0.948 58.006 59.018 -0.107 0.000 1.328 324 C CB 1.658 29.373 27.740 -0.042 0.000 1.922 324 C HN 0.607 nan 8.230 nan 0.000 0.439 325 E N 1.500 121.639 120.200 -0.101 0.000 2.313 325 E HA 0.362 4.712 4.350 0.000 0.000 0.276 325 E C -0.089 176.481 176.600 -0.050 0.000 1.031 325 E CA 0.393 56.736 56.400 -0.096 0.000 0.857 325 E CB 1.682 31.341 29.700 -0.070 0.000 1.040 325 E HN 0.689 nan 8.360 nan 0.000 0.408 326 S N 0.907 116.588 115.700 -0.031 0.000 2.584 326 S HA 0.420 4.890 4.470 0.000 0.000 0.273 326 S C 0.156 174.772 174.600 0.027 0.000 1.311 326 S CA -0.080 58.148 58.200 0.047 0.000 1.034 326 S CB 0.722 64.010 63.200 0.147 0.000 0.939 326 S HN 0.515 nan 8.310 nan 0.000 0.513 327 A N 2.867 125.712 122.820 0.042 0.000 2.631 327 A HA 0.663 4.983 4.320 0.000 0.000 0.294 327 A C 0.808 178.405 177.584 0.021 0.000 1.156 327 A CA 0.175 52.224 52.037 0.019 0.000 0.963 327 A CB -0.864 18.144 19.000 0.014 0.000 1.202 327 A HN 1.868 nan 8.150 nan 0.000 0.523 328 G N -0.813 108.006 108.800 0.031 0.000 2.730 328 G HA2 -0.049 3.911 3.960 0.000 0.000 0.686 328 G HA3 -0.049 3.911 3.960 0.000 0.000 0.686 328 G C 0.692 175.616 174.900 0.040 0.000 1.343 328 G CA 0.234 45.333 45.100 -0.002 0.000 0.826 328 G HN 1.269 nan 8.290 nan 0.000 0.582 329 T N -2.161 112.388 114.554 -0.008 0.000 2.867 329 T HA -0.110 4.240 4.350 0.000 0.000 0.268 329 T C 2.098 176.833 174.700 0.057 0.000 1.057 329 T CA 2.127 64.263 62.100 0.061 0.000 1.136 329 T CB -0.099 68.757 68.868 -0.019 0.000 0.874 329 T HN 0.846 nan 8.240 nan 0.000 0.466 330 Q N 0.511 120.324 119.800 0.022 0.000 2.046 330 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 330 Q C 2.438 178.449 176.000 0.018 0.000 0.975 330 Q CA 1.240 57.053 55.803 0.015 0.000 0.836 330 Q CB 0.007 28.747 28.738 0.003 0.000 0.896 330 Q HN 0.453 nan 8.270 nan 0.000 0.428 331 E N 0.556 120.768 120.200 0.020 0.000 2.072 331 E HA -0.139 4.211 4.350 0.000 0.000 0.190 331 E C 1.692 178.303 176.600 0.017 0.000 0.982 331 E CA 1.024 57.433 56.400 0.016 0.000 0.803 331 E CB -0.056 29.652 29.700 0.014 0.000 0.755 331 E HN 0.443 nan 8.360 nan 0.000 0.453 332 D N 0.881 121.306 120.400 0.042 0.000 2.104 332 D HA -0.150 4.490 4.640 0.000 0.000 0.194 332 D C 1.823 178.112 176.300 -0.018 0.000 0.994 332 D CA 1.601 55.620 54.000 0.031 0.000 0.830 332 D CB -0.303 40.569 40.800 0.120 0.000 0.959 332 D HN 0.159 nan 8.370 nan 0.000 0.452 333 A N 0.762 123.588 122.820 0.010 0.000 1.930 333 A HA 0.001 4.321 4.320 0.000 0.000 0.217 333 A C 2.278 179.844 177.584 -0.030 0.000 1.175 333 A CA 2.144 54.172 52.037 -0.016 0.000 0.627 333 A CB -0.652 18.356 19.000 0.012 0.000 0.815 333 A HN 0.241 nan 8.150 nan 0.000 0.443 334 A N -1.109 121.703 122.820 -0.015 0.000 1.929 334 A HA -0.000 4.320 4.320 0.000 0.000 0.216 334 A C 2.422 179.996 177.584 -0.018 0.000 1.176 334 A CA 1.825 53.855 52.037 -0.013 0.000 0.628 334 A CB -0.752 18.245 19.000 -0.004 0.000 0.816 334 A HN 0.414 nan 8.150 nan 0.000 0.444 335 S N -0.167 115.519 115.700 -0.024 0.000 2.356 335 S HA -0.076 4.394 4.470 0.000 0.000 0.223 335 S C 1.817 176.396 174.600 -0.036 0.000 1.032 335 S CA 1.338 59.526 58.200 -0.020 0.000 1.005 335 S CB -0.392 62.795 63.200 -0.022 0.000 0.867 335 S HN 0.525 nan 8.310 nan 0.000 0.449 336 L N 0.794 121.937 121.223 -0.134 0.000 2.191 336 L HA -0.073 4.267 4.340 0.000 0.000 0.212 336 L C 2.598 179.440 176.870 -0.047 0.000 1.103 336 L CA 1.130 55.829 54.840 -0.235 0.000 0.769 336 L CB -0.614 41.177 42.059 -0.447 0.000 0.908 336 L HN 0.283 nan 8.230 nan 0.000 0.438 337 R N -0.334 120.150 120.500 -0.028 0.000 2.075 337 R HA -0.091 4.249 4.340 0.000 0.000 0.232 337 R C 2.287 178.594 176.300 0.013 0.000 1.126 337 R CA 1.054 57.157 56.100 0.004 0.000 0.963 337 R CB -0.315 29.980 30.300 -0.007 0.000 0.858 337 R HN 0.198 nan 8.270 nan 0.000 0.435 338 V N 0.769 120.690 119.914 0.010 0.000 2.358 338 V HA -0.242 3.878 4.120 0.000 0.000 0.246 338 V C 1.961 178.049 176.094 -0.009 0.000 1.047 338 V CA 1.658 63.956 62.300 -0.004 0.000 1.035 338 V CB -0.633 31.191 31.823 0.002 0.000 0.658 338 V HN 0.199 nan 8.190 nan 0.000 0.452 339 F N 1.735 121.622 119.950 -0.105 0.000 2.087 339 F HA -0.288 4.239 4.527 0.000 0.000 0.299 339 F C 2.413 178.128 175.800 -0.141 0.000 1.100 339 F CA 2.462 60.389 58.000 -0.123 0.000 1.226 339 F CB -0.477 38.441 39.000 -0.137 0.000 0.983 339 F HN 0.142 nan 8.300 nan 0.000 0.479 340 T N -0.401 114.208 114.554 0.090 0.000 2.904 340 T HA -0.146 4.204 4.350 0.000 0.000 0.267 340 T C 1.674 176.353 174.700 -0.035 0.000 1.059 340 T CA 1.516 63.677 62.100 0.103 0.000 1.137 340 T CB -0.281 68.720 68.868 0.222 0.000 0.879 340 T HN 0.392 nan 8.240 nan 0.000 0.467 341 E N 1.137 121.291 120.200 -0.077 0.000 2.072 341 E HA -0.012 4.338 4.350 0.000 0.000 0.191 341 E C 2.592 179.052 176.600 -0.233 0.000 0.985 341 E CA 0.918 57.249 56.400 -0.114 0.000 0.801 341 E CB -0.214 29.433 29.700 -0.088 0.000 0.750 341 E HN 0.466 nan 8.360 nan 0.000 0.452 342 A N 1.442 124.059 122.820 -0.338 0.000 1.865 342 A HA -0.219 4.102 4.320 0.000 0.000 0.217 342 A C 2.185 179.277 177.584 -0.820 0.000 1.191 342 A CA 1.483 53.152 52.037 -0.613 0.000 0.623 342 A CB -0.424 18.242 19.000 -0.556 0.000 0.826 342 A HN 0.126 nan 8.150 nan 0.000 0.444 343 M N -0.308 118.942 119.600 -0.584 0.000 2.106 343 M HA -0.136 4.344 4.480 0.000 0.000 0.259 343 M C 2.200 178.420 176.300 -0.133 0.000 1.068 343 M CA 2.147 57.252 55.300 -0.325 0.000 1.100 343 M CB -2.041 30.334 32.600 -0.375 0.000 1.351 343 M HN 0.464 nan 8.290 nan 0.000 0.404 344 T N 0.107 114.588 114.554 -0.120 0.000 2.788 344 T HA -0.117 4.233 4.350 0.000 0.000 0.268 344 T C 1.978 176.623 174.700 -0.091 0.000 1.044 344 T CA 1.132 63.199 62.100 -0.057 0.000 1.139 344 T CB -0.175 68.668 68.868 -0.043 0.000 0.867 344 T HN 0.387 nan 8.240 nan 0.000 0.454 345 R N -0.112 120.270 120.500 -0.197 0.000 2.115 345 R HA -0.021 4.320 4.340 0.000 0.000 0.230 345 R C 1.593 177.858 176.300 -0.058 0.000 1.111 345 R CA 0.951 56.949 56.100 -0.170 0.000 0.976 345 R CB -0.189 29.957 30.300 -0.258 0.000 0.870 345 R HN 0.424 nan 8.270 nan 0.000 0.445 346 Y N 0.137 120.377 120.300 -0.101 0.000 2.529 346 Y HA 0.102 4.652 4.550 0.000 0.000 0.290 346 Y C 0.865 176.714 175.900 -0.085 0.000 1.177 346 Y CA -0.447 57.579 58.100 -0.123 0.000 1.305 346 Y CB -0.225 38.186 38.460 -0.083 0.000 1.047 346 Y HN -0.050 nan 8.280 nan 0.000 0.522 347 S N -0.019 115.724 115.700 0.072 0.000 3.884 347 S HA -0.092 4.379 4.470 0.000 0.000 0.374 347 S C -0.106 174.519 174.600 0.041 0.000 0.971 347 S CA 0.456 58.683 58.200 0.045 0.000 1.152 347 S CB -1.425 61.791 63.200 0.027 0.000 0.877 347 S HN 0.721 nan 8.310 nan 0.000 0.491 348 A N 1.990 124.857 122.820 0.079 0.000 3.409 348 A HA 0.597 4.917 4.320 0.000 0.000 0.282 348 A C -2.346 175.378 177.584 0.232 0.000 1.064 348 A CA -0.731 51.388 52.037 0.137 0.000 0.889 348 A CB 0.947 20.072 19.000 0.208 0.000 1.251 348 A HN 0.438 nan 8.150 nan 0.000 0.538 349 P HA 0.380 nan 4.420 nan 0.000 0.274 349 P C -2.934 174.414 177.300 0.079 0.000 1.246 349 P CA -1.159 62.007 63.100 0.109 0.000 0.795 349 P CB 0.687 32.377 31.700 -0.017 0.000 1.006 350 P HA 0.176 nan 4.420 nan 0.000 0.283 350 P C 0.587 177.816 177.300 -0.118 0.000 1.271 350 P CA -0.161 62.815 63.100 -0.206 0.000 0.841 350 P CB 1.108 32.630 31.700 -0.296 0.000 1.122 351 G N 0.734 109.462 108.800 -0.119 0.000 2.624 351 G HA2 0.001 3.961 3.960 0.000 0.000 0.216 351 G HA3 0.001 3.961 3.960 0.000 0.000 0.216 351 G C -0.079 174.781 174.900 -0.067 0.000 1.274 351 G CA 0.218 45.277 45.100 -0.067 0.000 0.856 351 G HN 0.469 nan 8.290 nan 0.000 0.555 352 D N 2.313 122.671 120.400 -0.071 0.000 2.264 352 D HA 0.293 4.933 4.640 0.000 0.000 0.250 352 D C -2.177 174.080 176.300 -0.071 0.000 1.113 352 D CA -1.006 52.961 54.000 -0.054 0.000 0.871 352 D CB 1.539 42.318 40.800 -0.035 0.000 1.167 352 D HN 0.096 nan 8.370 nan 0.000 0.447 353 P HA 0.105 nan 4.420 nan 0.000 0.268 353 P C -2.415 174.886 177.300 0.001 0.000 1.204 353 P CA -0.974 62.117 63.100 -0.015 0.000 0.768 353 P CB -0.183 31.516 31.700 -0.002 0.000 0.842 354 P HA 0.138 nan 4.420 nan 0.000 0.271 354 P C -0.559 176.734 177.300 -0.012 0.000 1.218 354 P CA 0.163 63.302 63.100 0.065 0.000 0.780 354 P CB 0.666 32.443 31.700 0.128 0.000 0.901 355 Q N 2.094 121.904 119.800 0.017 0.000 2.375 355 Q HA 0.441 4.781 4.340 0.000 0.000 0.271 355 Q C -2.380 173.621 176.000 0.002 0.000 1.074 355 Q CA -2.164 53.635 55.803 -0.006 0.000 0.808 355 Q CB 1.884 30.634 28.738 0.020 0.000 1.327 355 Q HN 0.389 nan 8.270 nan 0.000 0.441 356 P HA 0.178 nan 4.420 nan 0.000 0.275 356 P C -0.526 176.662 177.300 -0.187 0.000 1.228 356 P CA -0.118 62.909 63.100 -0.123 0.000 0.786 356 P CB 1.202 32.792 31.700 -0.182 0.000 0.927 357 E N 1.609 121.652 120.200 -0.262 0.000 2.266 357 E HA 0.229 4.579 4.350 0.000 0.000 0.268 357 E C -0.491 175.945 176.600 -0.274 0.000 0.879 357 E CA -0.462 55.836 56.400 -0.171 0.000 0.762 357 E CB 1.500 31.189 29.700 -0.018 0.000 1.199 357 E HN 0.439 nan 8.360 nan 0.000 0.422 358 Y N -0.471 119.971 120.300 0.238 0.000 2.481 358 Y HA 0.147 4.697 4.550 0.000 0.000 0.247 358 Y C 0.415 176.569 175.900 0.423 0.000 1.151 358 Y CA -0.368 57.920 58.100 0.313 0.000 1.238 358 Y CB 0.996 39.549 38.460 0.155 0.000 1.179 358 Y HN 0.273 nan 8.280 nan 0.000 0.524 359 D N 0.471 121.048 120.400 0.296 0.000 2.344 359 D HA 0.110 4.750 4.640 0.000 0.000 0.239 359 D C 0.782 176.861 176.300 -0.368 0.000 1.064 359 D CA -0.322 53.709 54.000 0.053 0.000 0.829 359 D CB 1.883 42.704 40.800 0.035 0.000 1.129 359 D HN 0.094 nan 8.370 nan 0.000 0.506 360 L N 4.149 124.796 121.223 -0.960 0.000 2.187 360 L HA -0.068 4.272 4.340 0.000 0.000 0.213 360 L C 1.462 177.974 176.870 -0.597 0.000 1.100 360 L CA 1.889 55.949 54.840 -1.300 0.000 0.765 360 L CB -0.285 40.767 42.059 -1.680 0.000 0.904 360 L HN 0.528 nan 8.230 nan 0.000 0.437 361 E N -1.017 118.958 120.200 -0.375 0.000 2.481 361 E HA -0.038 4.312 4.350 0.000 0.000 0.195 361 E C 1.738 178.246 176.600 -0.153 0.000 1.047 361 E CA 0.344 56.611 56.400 -0.220 0.000 0.867 361 E CB -0.002 29.617 29.700 -0.135 0.000 0.858 361 E HN 0.541 nan 8.360 nan 0.000 0.513 362 L N 0.594 121.727 121.223 -0.151 0.000 2.607 362 L HA 0.238 4.578 4.340 0.000 0.000 0.228 362 L C 0.582 177.403 176.870 -0.082 0.000 1.123 362 L CA -0.124 54.666 54.840 -0.083 0.000 0.890 362 L CB 0.265 42.301 42.059 -0.038 0.000 1.103 362 L HN 0.028 nan 8.230 nan 0.000 0.468 363 I N 0.569 121.060 120.570 -0.132 0.000 2.337 363 I HA 0.078 4.248 4.170 0.000 0.000 0.291 363 I C 0.127 176.196 176.117 -0.081 0.000 1.046 363 I CA 0.152 61.391 61.300 -0.102 0.000 1.324 363 I CB 1.166 39.083 38.000 -0.139 0.000 1.409 363 I HN -0.062 nan 8.210 nan 0.000 0.494 364 T N 5.334 119.864 114.554 -0.040 0.000 2.743 364 T HA 0.380 4.730 4.350 0.000 0.000 0.293 364 T C -0.033 174.659 174.700 -0.014 0.000 0.945 364 T CA -0.510 61.578 62.100 -0.020 0.000 1.030 364 T CB 0.585 69.451 68.868 -0.004 0.000 0.912 364 T HN 0.737 nan 8.240 nan 0.000 0.483 365 S N 1.112 116.804 115.700 -0.013 0.000 2.548 365 S HA 0.385 4.855 4.470 0.000 0.000 0.276 365 S C 0.061 174.664 174.600 0.005 0.000 1.129 365 S CA -0.846 57.345 58.200 -0.015 0.000 0.931 365 S CB 0.580 63.752 63.200 -0.046 0.000 1.068 365 S HN 0.864 nan 8.310 nan 0.000 0.480 366 C N 2.501 121.805 119.300 0.007 0.000 4.167 366 C HA -0.166 4.294 4.460 0.000 0.000 0.302 366 C C 1.359 176.416 174.990 0.112 0.000 1.384 366 C CA 0.782 59.828 59.018 0.046 0.000 2.041 366 C CB -3.279 24.477 27.740 0.026 0.000 1.303 366 C HN 1.775 nan 8.230 nan 0.000 0.718 367 S N -1.821 113.933 115.700 0.089 0.000 3.445 367 S HA -0.202 4.268 4.470 0.000 0.000 0.319 367 S C 0.198 174.865 174.600 0.112 0.000 1.209 367 S CA 1.260 59.517 58.200 0.095 0.000 0.934 367 S CB -0.985 62.285 63.200 0.117 0.000 0.999 367 S HN 1.076 nan 8.310 nan 0.000 0.582 368 S N 1.940 117.707 115.700 0.112 0.000 2.548 368 S HA 0.680 5.150 4.470 0.000 0.000 0.286 368 S C -0.346 174.284 174.600 0.050 0.000 1.098 368 S CA -1.009 57.279 58.200 0.145 0.000 0.930 368 S CB 1.734 65.081 63.200 0.245 0.000 1.070 368 S HN 0.574 nan 8.310 nan 0.000 0.480 369 N N 0.083 118.800 118.700 0.028 0.000 2.265 369 N HA 0.496 5.236 4.740 0.000 0.000 0.300 369 N C -1.137 174.313 175.510 -0.099 0.000 1.148 369 N CA -0.615 52.404 53.050 -0.051 0.000 0.772 369 N CB 1.251 39.702 38.487 -0.060 0.000 1.434 369 N HN 0.313 nan 8.380 nan 0.000 0.481 370 V N 0.711 120.529 119.914 -0.161 0.000 2.715 370 V HA 0.290 4.411 4.120 0.000 0.000 0.299 370 V C 0.512 176.469 176.094 -0.228 0.000 1.054 370 V CA 0.190 62.367 62.300 -0.206 0.000 1.077 370 V CB 0.876 32.549 31.823 -0.250 0.000 0.972 370 V HN 0.849 nan 8.190 nan 0.000 0.484 371 S N 2.603 118.088 115.700 -0.359 0.000 2.671 371 S HA 0.745 5.215 4.470 0.000 0.000 0.277 371 S C -1.386 173.040 174.600 -0.292 0.000 1.165 371 S CA -0.440 57.553 58.200 -0.345 0.000 0.822 371 S CB 2.057 65.003 63.200 -0.424 0.000 1.150 371 S HN 0.630 nan 8.310 nan 0.000 0.479 372 V N 1.433 121.306 119.914 -0.070 0.000 2.735 372 V HA 0.982 5.103 4.120 0.000 0.000 0.310 372 V C -0.298 175.778 176.094 -0.031 0.000 1.061 372 V CA 0.202 62.432 62.300 -0.116 0.000 0.913 372 V CB 1.210 32.819 31.823 -0.358 0.000 1.005 372 V HN 1.247 nan 8.190 nan 0.000 0.428 373 A N 4.888 127.555 122.820 -0.254 0.000 2.552 373 A HA 0.870 5.190 4.320 0.000 0.000 0.288 373 A C -1.277 175.842 177.584 -0.776 0.000 1.193 373 A CA -0.645 51.078 52.037 -0.524 0.000 0.713 373 A CB 1.794 20.314 19.000 -0.799 0.000 1.305 373 A HN 0.928 nan 8.150 nan 0.000 0.424 374 H N 0.400 119.107 119.070 -0.605 0.000 2.572 374 H HA 0.369 4.925 4.556 0.000 0.000 0.359 374 H C -0.772 174.237 175.328 -0.532 0.000 1.134 374 H CA -0.368 55.342 56.048 -0.564 0.000 1.187 374 H CB 1.924 31.304 29.762 -0.636 0.000 1.597 374 H HN 0.920 nan 8.280 nan 0.000 0.524 375 D N 1.245 121.569 120.400 -0.127 0.000 2.399 375 D HA 0.153 4.793 4.640 0.000 0.000 0.288 375 D C 1.348 177.763 176.300 0.193 0.000 1.197 375 D CA -0.272 53.730 54.000 0.004 0.000 1.081 375 D CB -0.157 40.637 40.800 -0.010 0.000 1.139 375 D HN 0.427 nan 8.370 nan 0.000 0.554 376 A N -0.450 122.452 122.820 0.136 0.000 1.872 376 A HA -0.037 4.284 4.320 0.000 0.000 0.214 376 A C 2.109 179.756 177.584 0.106 0.000 1.187 376 A CA 1.545 53.654 52.037 0.120 0.000 0.614 376 A CB -0.827 18.219 19.000 0.076 0.000 0.826 376 A HN 0.448 nan 8.150 nan 0.000 0.442 377 S N -0.977 114.774 115.700 0.085 0.000 2.660 377 S HA 0.344 4.814 4.470 0.000 0.000 0.223 377 S C 1.399 176.047 174.600 0.080 0.000 0.963 377 S CA 0.786 59.025 58.200 0.065 0.000 0.932 377 S CB -0.132 63.095 63.200 0.045 0.000 0.775 377 S HN 1.622 nan 8.310 nan 0.000 0.531 378 G N 1.882 110.763 108.800 0.135 0.000 2.179 378 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 378 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 378 G C 0.091 175.065 174.900 0.123 0.000 0.977 378 G CA 0.295 45.479 45.100 0.140 0.000 0.641 378 G HN 0.527 nan 8.290 nan 0.000 0.533 379 K N 0.892 121.333 120.400 0.070 0.000 2.401 379 K HA 0.344 4.665 4.320 0.000 0.000 0.278 379 K C 0.906 177.472 176.600 -0.058 0.000 1.018 379 K CA -0.564 55.735 56.287 0.020 0.000 0.981 379 K CB 0.257 32.756 32.500 -0.001 0.000 0.933 379 K HN 0.337 nan 8.250 nan 0.000 0.477 380 R N 1.819 122.241 120.500 -0.129 0.000 2.537 380 R HA 0.140 4.480 4.340 0.000 0.000 0.280 380 R C -0.737 175.326 176.300 -0.395 0.000 1.058 380 R CA -0.245 55.609 56.100 -0.409 0.000 1.057 380 R CB 0.746 30.822 30.300 -0.374 0.000 0.973 380 R HN 0.277 nan 8.270 nan 0.000 0.438 381 V N 4.197 123.804 119.914 -0.511 0.000 2.623 381 V HA 0.235 4.356 4.120 0.000 0.000 0.304 381 V C -1.110 174.789 176.094 -0.324 0.000 1.054 381 V CA -0.975 61.132 62.300 -0.322 0.000 0.882 381 V CB 1.402 33.102 31.823 -0.206 0.000 1.002 381 V HN 0.577 nan 8.190 nan 0.000 0.424 382 Y N 5.129 125.415 120.300 -0.025 0.000 2.308 382 Y HA 0.668 5.218 4.550 0.000 0.000 0.329 382 Y C 0.016 175.967 175.900 0.085 0.000 1.111 382 Y CA -0.295 57.796 58.100 -0.014 0.000 1.179 382 Y CB 1.181 39.594 38.460 -0.078 0.000 1.201 382 Y HN 0.746 nan 8.280 nan 0.000 0.483 383 Y N 0.027 120.382 120.300 0.091 0.000 2.625 383 Y HA 0.768 5.318 4.550 0.000 0.000 0.338 383 Y C -2.113 173.841 175.900 0.090 0.000 1.123 383 Y CA -2.025 56.113 58.100 0.063 0.000 1.046 383 Y CB 0.891 39.365 38.460 0.024 0.000 1.299 383 Y HN 0.422 nan 8.280 nan 0.000 0.464 384 L N 2.233 123.515 121.223 0.098 0.000 2.322 384 L HA 0.755 5.095 4.340 0.000 0.000 0.279 384 L C 0.044 177.090 176.870 0.292 0.000 1.036 384 L CA -0.466 54.411 54.840 0.063 0.000 0.807 384 L CB 2.017 44.127 42.059 0.085 0.000 1.226 384 L HN 0.990 nan 8.230 nan 0.000 0.433 385 T N 2.235 116.942 114.554 0.255 0.000 2.787 385 T HA 0.751 5.101 4.350 0.000 0.000 0.297 385 T C -1.305 173.557 174.700 0.269 0.000 1.221 385 T CA -0.636 61.711 62.100 0.413 0.000 1.006 385 T CB 1.720 70.797 68.868 0.349 0.000 1.328 385 T HN 0.787 nan 8.240 nan 0.000 0.509 386 R N 0.526 121.110 120.500 0.141 0.000 2.810 386 R HA 0.547 4.887 4.340 0.000 0.000 0.266 386 R C -1.330 174.812 176.300 -0.263 0.000 1.061 386 R CA -1.032 55.019 56.100 -0.081 0.000 0.943 386 R CB 0.472 30.668 30.300 -0.173 0.000 1.237 386 R HN 0.494 nan 8.270 nan 0.000 0.459 387 D N 1.751 121.989 120.400 -0.271 0.000 2.401 387 D HA 0.062 4.702 4.640 0.000 0.000 0.254 387 D C -1.393 174.546 176.300 -0.603 0.000 1.192 387 D CA -1.406 52.390 54.000 -0.339 0.000 0.885 387 D CB 1.273 41.958 40.800 -0.192 0.000 1.147 387 D HN 0.319 nan 8.370 nan 0.000 0.478 388 P HA 0.002 nan 4.420 nan 0.000 0.249 388 P C 1.037 178.005 177.300 -0.554 0.000 1.241 388 P CA 0.141 62.561 63.100 -1.134 0.000 0.781 388 P CB 0.298 31.266 31.700 -1.220 0.000 1.088 389 T N -0.435 113.913 114.554 -0.344 0.000 2.701 389 T HA -0.097 4.253 4.350 0.000 0.000 0.263 389 T C 1.745 176.379 174.700 -0.111 0.000 1.040 389 T CA 2.140 64.138 62.100 -0.170 0.000 1.147 389 T CB -0.849 67.965 68.868 -0.091 0.000 0.865 389 T HN 0.209 nan 8.240 nan 0.000 0.426 390 T N 2.162 116.652 114.554 -0.106 0.000 2.770 390 T HA -0.028 4.322 4.350 0.000 0.000 0.263 390 T C -0.574 174.078 174.700 -0.081 0.000 1.039 390 T CA 0.974 63.039 62.100 -0.058 0.000 1.142 390 T CB -1.250 67.618 68.868 0.000 0.000 0.868 390 T HN 0.306 nan 8.240 nan 0.000 0.435 391 P HA -0.052 nan 4.420 nan 0.000 0.216 391 P C 1.419 178.742 177.300 0.038 0.000 1.154 391 P CA 1.046 64.126 63.100 -0.033 0.000 0.865 391 P CB -0.193 31.425 31.700 -0.136 0.000 0.789 392 L N -1.695 119.505 121.223 -0.037 0.000 2.131 392 L HA -0.061 4.279 4.340 0.000 0.000 0.206 392 L C 2.515 179.416 176.870 0.052 0.000 1.087 392 L CA 1.205 56.053 54.840 0.013 0.000 0.767 392 L CB -1.228 40.797 42.059 -0.057 0.000 0.917 392 L HN -0.074 nan 8.230 nan 0.000 0.441 393 A N 0.645 123.484 122.820 0.033 0.000 1.892 393 A HA -0.244 4.076 4.320 0.000 0.000 0.218 393 A C 2.416 180.067 177.584 0.111 0.000 1.188 393 A CA 1.825 53.904 52.037 0.069 0.000 0.631 393 A CB -0.523 18.496 19.000 0.031 0.000 0.822 393 A HN 0.333 nan 8.150 nan 0.000 0.447 394 R N -0.755 119.785 120.500 0.067 0.000 2.075 394 R HA -0.022 4.318 4.340 0.000 0.000 0.232 394 R C 2.522 178.976 176.300 0.257 0.000 1.126 394 R CA 1.094 57.254 56.100 0.100 0.000 0.963 394 R CB -0.518 29.782 30.300 -0.000 0.000 0.858 394 R HN 0.515 nan 8.270 nan 0.000 0.435 395 A N 1.528 124.526 122.820 0.295 0.000 1.917 395 A HA -0.187 4.133 4.320 0.000 0.000 0.219 395 A C 2.389 180.203 177.584 0.383 0.000 1.182 395 A CA 1.889 54.219 52.037 0.488 0.000 0.633 395 A CB -0.655 18.653 19.000 0.514 0.000 0.819 395 A HN 0.416 nan 8.150 nan 0.000 0.448 396 A N -1.626 121.328 122.820 0.223 0.000 1.930 396 A HA -0.162 4.158 4.320 0.000 0.000 0.217 396 A C 2.084 179.773 177.584 0.174 0.000 1.175 396 A CA 1.326 53.450 52.037 0.146 0.000 0.627 396 A CB -0.786 18.282 19.000 0.113 0.000 0.815 396 A HN 0.835 nan 8.150 nan 0.000 0.443 397 W N 1.060 122.399 121.300 0.066 0.000 2.358 397 W HA -0.128 4.532 4.660 0.000 0.000 0.303 397 W C 1.560 178.122 176.519 0.072 0.000 1.208 397 W CA 1.882 59.254 57.345 0.044 0.000 1.274 397 W CB -0.248 29.221 29.460 0.015 0.000 1.138 397 W HN 0.551 nan 8.180 nan 0.000 0.515 398 E N -0.912 119.543 120.200 0.424 0.000 2.427 398 E HA -0.101 4.250 4.350 0.000 0.000 0.196 398 E C 1.867 178.631 176.600 0.275 0.000 1.028 398 E CA 1.143 57.769 56.400 0.378 0.000 0.864 398 E CB -0.154 29.829 29.700 0.472 0.000 0.813 398 E HN 0.033 nan 8.360 nan 0.000 0.514 399 T N 0.134 114.828 114.554 0.233 0.000 2.995 399 T HA -0.031 4.319 4.350 0.000 0.000 0.269 399 T C 1.582 176.261 174.700 -0.035 0.000 1.091 399 T CA 1.164 63.331 62.100 0.111 0.000 1.128 399 T CB 0.127 69.079 68.868 0.139 0.000 0.891 399 T HN 0.228 nan 8.240 nan 0.000 0.492 400 A N -0.081 122.683 122.820 -0.093 0.000 2.312 400 A HA 0.378 4.699 4.320 0.000 0.000 0.215 400 A C 0.772 178.221 177.584 -0.225 0.000 1.256 400 A CA -0.209 51.717 52.037 -0.184 0.000 0.966 400 A CB 0.689 19.550 19.000 -0.233 0.000 1.053 400 A HN 0.073 nan 8.150 nan 0.000 0.510 401 R N 0.579 120.971 120.500 -0.179 0.000 2.561 401 R HA 0.393 4.733 4.340 0.000 0.000 0.297 401 R C -1.587 174.705 176.300 -0.013 0.000 0.969 401 R CA -0.493 55.550 56.100 -0.094 0.000 0.879 401 R CB 0.855 31.156 30.300 0.002 0.000 1.178 401 R HN 0.498 nan 8.270 nan 0.000 0.445 402 H N 0.648 119.792 119.070 0.124 0.000 2.803 402 H HA 0.170 4.726 4.556 0.000 0.000 0.330 402 H C 0.594 176.003 175.328 0.135 0.000 1.057 402 H CA 0.677 56.805 56.048 0.133 0.000 1.458 402 H CB 0.894 30.712 29.762 0.094 0.000 1.470 402 H HN 0.547 nan 8.280 nan 0.000 0.560 403 T N 0.200 114.903 114.554 0.247 0.000 2.930 403 T HA 0.265 4.615 4.350 0.000 0.000 0.290 403 T C -1.706 173.017 174.700 0.038 0.000 1.052 403 T CA -2.014 60.166 62.100 0.134 0.000 1.017 403 T CB 1.672 70.612 68.868 0.119 0.000 1.137 403 T HN 0.266 nan 8.240 nan 0.000 0.511 404 P HA 0.076 nan 4.420 nan 0.000 0.215 404 P C -0.035 177.127 177.300 -0.230 0.000 1.157 404 P CA 0.421 63.390 63.100 -0.218 0.000 0.863 404 P CB -0.009 31.482 31.700 -0.349 0.000 0.787 405 V N 1.586 121.395 119.914 -0.176 0.000 2.394 405 V HA 0.175 4.296 4.120 0.000 0.000 0.282 405 V C 0.149 176.175 176.094 -0.114 0.000 1.031 405 V CA -0.687 61.524 62.300 -0.148 0.000 0.881 405 V CB 1.188 32.933 31.823 -0.129 0.000 0.982 405 V HN 0.065 nan 8.190 nan 0.000 0.451 406 N N 3.339 121.927 118.700 -0.186 0.000 2.719 406 N HA 0.048 4.788 4.740 0.000 0.000 0.243 406 N C 1.390 176.650 175.510 -0.416 0.000 1.104 406 N CA 0.166 53.035 53.050 -0.302 0.000 0.981 406 N CB 1.403 39.557 38.487 -0.555 0.000 1.290 406 N HN 0.838 nan 8.380 nan 0.000 0.513 407 S N 2.447 118.044 115.700 -0.172 0.000 2.383 407 S HA -0.148 4.322 4.470 0.000 0.000 0.229 407 S C 1.933 176.481 174.600 -0.087 0.000 1.030 407 S CA 0.430 58.571 58.200 -0.099 0.000 1.002 407 S CB -0.485 62.709 63.200 -0.010 0.000 0.829 407 S HN 0.794 nan 8.310 nan 0.000 0.467 408 W N 1.422 122.652 121.300 -0.117 0.000 2.321 408 W HA -0.144 4.516 4.660 0.000 0.000 0.306 408 W C 1.773 178.204 176.519 -0.147 0.000 1.217 408 W CA 0.811 58.037 57.345 -0.197 0.000 1.257 408 W CB -1.146 27.859 29.460 -0.759 0.000 1.145 408 W HN 0.394 nan 8.180 nan 0.000 0.509 409 L N 2.823 123.414 121.223 -1.052 0.000 2.072 409 L HA 0.194 4.535 4.340 0.000 0.000 0.205 409 L C 2.692 179.350 176.870 -0.354 0.000 1.079 409 L CA 2.768 57.014 54.840 -0.990 0.000 0.752 409 L CB -1.444 39.737 42.059 -1.465 0.000 0.906 409 L HN 0.050 nan 8.230 nan 0.000 0.436 410 G N -0.524 108.102 108.800 -0.290 0.000 2.442 410 G HA2 -0.310 3.651 3.960 0.000 0.000 0.219 410 G HA3 -0.310 3.651 3.960 0.000 0.000 0.219 410 G C 1.475 176.381 174.900 0.010 0.000 1.141 410 G CA 0.813 45.835 45.100 -0.130 0.000 0.763 410 G HN 0.438 nan 8.290 nan 0.000 0.554 411 N N 0.593 119.357 118.700 0.107 0.000 2.142 411 N HA -0.013 4.727 4.740 0.000 0.000 0.186 411 N C 2.265 177.931 175.510 0.260 0.000 1.023 411 N CA 0.660 53.905 53.050 0.324 0.000 0.852 411 N CB -0.226 38.513 38.487 0.421 0.000 0.998 411 N HN 0.332 nan 8.380 nan 0.000 0.424 412 I N 0.910 121.585 120.570 0.175 0.000 2.286 412 I HA -0.227 3.943 4.170 0.000 0.000 0.248 412 I C 1.984 178.149 176.117 0.081 0.000 1.115 412 I CA 0.842 62.221 61.300 0.133 0.000 1.392 412 I CB -0.164 37.980 38.000 0.240 0.000 1.065 412 I HN 0.068 nan 8.210 nan 0.000 0.418 413 I N 0.052 120.676 120.570 0.091 0.000 2.163 413 I HA -0.289 3.881 4.170 0.000 0.000 0.240 413 I C 2.367 178.595 176.117 0.185 0.000 1.081 413 I CA 1.323 62.706 61.300 0.138 0.000 1.353 413 I CB -0.188 37.881 38.000 0.115 0.000 1.054 413 I HN 0.214 nan 8.210 nan 0.000 0.407 414 M N -1.040 118.590 119.600 0.050 0.000 2.514 414 M HA -0.024 4.457 4.480 0.000 0.000 0.258 414 M C 0.687 176.798 176.300 -0.315 0.000 1.119 414 M CA 1.305 56.538 55.300 -0.111 0.000 1.111 414 M CB -0.424 32.009 32.600 -0.278 0.000 1.390 414 M HN 0.199 nan 8.290 nan 0.000 0.475 415 Y N -0.623 119.675 120.300 -0.002 0.000 2.716 415 Y HA 0.487 5.037 4.550 0.000 0.000 0.260 415 Y C 1.810 177.444 175.900 -0.443 0.000 1.141 415 Y CA -0.371 57.610 58.100 -0.199 0.000 1.168 415 Y CB -0.719 37.558 38.460 -0.305 0.000 1.189 415 Y HN 0.149 nan 8.280 nan 0.000 0.549 416 A N 1.146 123.730 122.820 -0.393 0.000 1.927 416 A HA -0.197 4.123 4.320 0.000 0.000 0.220 416 A C -0.386 176.895 177.584 -0.504 0.000 1.185 416 A CA 1.928 53.674 52.037 -0.486 0.000 0.639 416 A CB -1.456 17.165 19.000 -0.632 0.000 0.820 416 A HN 0.283 nan 8.150 nan 0.000 0.451 417 P HA 0.027 nan 4.420 nan 0.000 0.233 417 P C 0.687 177.717 177.300 -0.449 0.000 1.167 417 P CA 1.240 64.077 63.100 -0.440 0.000 0.770 417 P CB -0.444 31.047 31.700 -0.347 0.000 0.837 418 T N -2.786 111.497 114.554 -0.453 0.000 2.868 418 T HA 0.152 4.502 4.350 0.000 0.000 0.292 418 T C 1.081 175.346 174.700 -0.726 0.000 1.028 418 T CA -0.672 61.105 62.100 -0.538 0.000 1.059 418 T CB 0.601 68.996 68.868 -0.789 0.000 0.991 418 T HN -0.186 nan 8.240 nan 0.000 0.531 419 L N 1.710 122.427 121.223 -0.845 0.000 2.027 419 L HA 0.068 4.409 4.340 0.000 0.000 0.206 419 L C 2.441 178.984 176.870 -0.545 0.000 1.074 419 L CA 1.604 55.928 54.840 -0.861 0.000 0.745 419 L CB -0.947 40.560 42.059 -0.920 0.000 0.898 419 L HN 0.918 nan 8.230 nan 0.000 0.433 420 W N -0.737 120.350 121.300 -0.356 0.000 2.418 420 W HA 0.049 4.709 4.660 0.000 0.000 0.292 420 W C 1.984 178.355 176.519 -0.246 0.000 1.213 420 W CA 0.810 57.978 57.345 -0.294 0.000 1.283 420 W CB -1.385 27.937 29.460 -0.229 0.000 1.119 420 W HN 0.312 nan 8.180 nan 0.000 0.542 421 A N 1.889 124.279 122.820 -0.717 0.000 1.898 421 A HA -0.120 4.200 4.320 0.000 0.000 0.216 421 A C 2.254 179.676 177.584 -0.269 0.000 1.181 421 A CA 1.713 53.470 52.037 -0.466 0.000 0.620 421 A CB -0.767 17.810 19.000 -0.706 0.000 0.819 421 A HN 0.290 nan 8.150 nan 0.000 0.442 422 R N -1.057 119.191 120.500 -0.420 0.000 2.066 422 R HA 0.030 4.370 4.340 0.000 0.000 0.232 422 R C 2.264 178.333 176.300 -0.387 0.000 1.131 422 R CA 1.746 57.591 56.100 -0.425 0.000 0.955 422 R CB -0.327 29.562 30.300 -0.685 0.000 0.851 422 R HN 0.502 nan 8.270 nan 0.000 0.432 423 M N -0.400 118.869 119.600 -0.552 0.000 2.287 423 M HA 0.001 4.482 4.480 0.000 0.000 0.266 423 M C 1.969 178.205 176.300 -0.107 0.000 1.079 423 M CA 1.423 56.469 55.300 -0.423 0.000 1.146 423 M CB 0.118 32.420 32.600 -0.497 0.000 1.374 423 M HN 0.102 nan 8.290 nan 0.000 0.435 424 I N -0.527 119.814 120.570 -0.381 0.000 2.726 424 I HA -0.124 4.046 4.170 0.000 0.000 0.243 424 I C 2.111 178.050 176.117 -0.296 0.000 1.082 424 I CA 0.499 61.297 61.300 -0.836 0.000 1.447 424 I CB -0.226 37.241 38.000 -0.888 0.000 1.250 424 I HN 0.128 nan 8.210 nan 0.000 0.453 425 L N 0.133 121.360 121.223 0.007 0.000 2.027 425 L HA -0.201 4.139 4.340 0.000 0.000 0.206 425 L C 2.689 179.854 176.870 0.491 0.000 1.074 425 L CA 1.607 56.644 54.840 0.329 0.000 0.745 425 L CB -0.381 41.911 42.059 0.387 0.000 0.898 425 L HN 0.269 nan 8.230 nan 0.000 0.433 426 M N -1.006 118.834 119.600 0.400 0.000 2.080 426 M HA -0.209 4.272 4.480 0.000 0.000 0.260 426 M C 2.304 179.101 176.300 0.829 0.000 1.068 426 M CA 2.133 57.767 55.300 0.557 0.000 1.109 426 M CB -0.715 32.005 32.600 0.201 0.000 1.342 426 M HN 0.271 nan 8.290 nan 0.000 0.405 427 T N -1.236 113.796 114.554 0.796 0.000 2.622 427 T HA -0.236 4.115 4.350 0.000 0.000 0.266 427 T C 1.652 176.699 174.700 0.579 0.000 1.047 427 T CA 1.994 64.581 62.100 0.811 0.000 1.159 427 T CB -0.622 68.782 68.868 0.894 0.000 0.863 427 T HN 0.455 nan 8.240 nan 0.000 0.422 428 H N 0.517 119.830 119.070 0.406 0.000 2.265 428 H HA -0.081 4.476 4.556 0.000 0.000 0.295 428 H C 1.822 177.071 175.328 -0.132 0.000 1.084 428 H CA 1.819 57.948 56.048 0.135 0.000 1.261 428 H CB -0.593 29.100 29.762 -0.115 0.000 1.360 428 H HN 0.363 nan 8.280 nan 0.000 0.487 429 F N -1.252 118.682 119.950 -0.027 0.000 2.259 429 F HA -0.007 4.521 4.527 0.000 0.000 0.298 429 F C 2.070 177.718 175.800 -0.252 0.000 1.088 429 F CA 0.540 58.290 58.000 -0.417 0.000 1.358 429 F CB -0.495 37.912 39.000 -0.988 0.000 1.040 429 F HN 0.142 nan 8.300 nan 0.000 0.505 430 F N -0.619 119.443 119.950 0.187 0.000 2.234 430 F HA -0.173 4.354 4.527 0.000 0.000 0.299 430 F C 2.731 178.566 175.800 0.058 0.000 1.087 430 F CA 1.438 59.550 58.000 0.187 0.000 1.340 430 F CB -0.807 38.392 39.000 0.332 0.000 1.031 430 F HN -0.121 nan 8.300 nan 0.000 0.500 431 S N 0.318 116.110 115.700 0.154 0.000 2.383 431 S HA -0.192 4.278 4.470 0.000 0.000 0.229 431 S C 2.084 176.648 174.600 -0.060 0.000 1.030 431 S CA 1.457 59.666 58.200 0.015 0.000 1.002 431 S CB -0.440 62.747 63.200 -0.021 0.000 0.829 431 S HN 0.339 nan 8.310 nan 0.000 0.467 432 I N 0.916 121.396 120.570 -0.150 0.000 2.286 432 I HA -0.119 4.051 4.170 0.000 0.000 0.245 432 I C 2.125 178.204 176.117 -0.063 0.000 1.104 432 I CA 0.887 62.090 61.300 -0.162 0.000 1.397 432 I CB -0.275 37.558 38.000 -0.277 0.000 1.072 432 I HN 0.287 nan 8.210 nan 0.000 0.417 433 L N 0.120 121.311 121.223 -0.053 0.000 2.083 433 L HA -0.227 4.113 4.340 0.000 0.000 0.209 433 L C 2.521 179.406 176.870 0.025 0.000 1.083 433 L CA 1.270 56.102 54.840 -0.014 0.000 0.752 433 L CB -0.579 41.434 42.059 -0.077 0.000 0.899 433 L HN 0.268 nan 8.230 nan 0.000 0.433 434 L N -0.184 121.066 121.223 0.044 0.000 1.994 434 L HA -0.219 4.121 4.340 0.000 0.000 0.208 434 L C 2.890 179.772 176.870 0.020 0.000 1.071 434 L CA 1.377 56.248 54.840 0.051 0.000 0.745 434 L CB -0.698 41.395 42.059 0.056 0.000 0.892 434 L HN 0.246 nan 8.230 nan 0.000 0.431 435 A N -1.082 121.737 122.820 -0.001 0.000 1.972 435 A HA -0.189 4.132 4.320 0.000 0.000 0.219 435 A C 2.068 179.654 177.584 0.003 0.000 1.169 435 A CA 1.334 53.366 52.037 -0.008 0.000 0.635 435 A CB -0.228 18.755 19.000 -0.027 0.000 0.810 435 A HN 0.453 nan 8.150 nan 0.000 0.446 436 Q N -0.756 119.050 119.800 0.011 0.000 2.319 436 Q HA 0.086 4.426 4.340 0.000 0.000 0.202 436 Q C -0.554 175.462 176.000 0.027 0.000 0.896 436 Q CA 0.253 56.069 55.803 0.023 0.000 0.942 436 Q CB 0.100 28.860 28.738 0.037 0.000 1.083 436 Q HN 0.779 nan 8.270 nan 0.000 0.510 437 E N 0.906 121.123 120.200 0.029 0.000 2.228 437 E HA -0.253 4.097 4.350 0.000 0.000 0.213 437 E C -0.147 176.478 176.600 0.040 0.000 1.282 437 E CA 0.271 56.692 56.400 0.035 0.000 0.707 437 E CB -0.976 28.741 29.700 0.029 0.000 1.150 437 E HN 0.435 nan 8.360 nan 0.000 0.362 438 Q N -0.421 119.406 119.800 0.045 0.000 2.155 438 Q HA 0.193 4.533 4.340 0.000 0.000 0.220 438 Q C 1.696 177.730 176.000 0.056 0.000 0.819 438 Q CA -0.270 55.563 55.803 0.050 0.000 1.032 438 Q CB 0.476 29.247 28.738 0.056 0.000 1.151 438 Q HN 0.417 nan 8.270 nan 0.000 0.487 439 L N 0.340 121.601 121.223 0.063 0.000 2.081 439 L HA -0.244 4.096 4.340 0.000 0.000 0.212 439 L C 1.981 178.903 176.870 0.088 0.000 1.080 439 L CA 1.381 56.271 54.840 0.083 0.000 0.754 439 L CB -0.087 42.051 42.059 0.131 0.000 0.893 439 L HN 0.249 nan 8.230 nan 0.000 0.433 440 E N 0.098 120.343 120.200 0.075 0.000 2.347 440 E HA -0.097 4.253 4.350 0.000 0.000 0.196 440 E C 0.813 177.450 176.600 0.063 0.000 1.008 440 E CA 0.305 56.746 56.400 0.068 0.000 0.852 440 E CB 0.185 29.918 29.700 0.055 0.000 0.783 440 E HN 0.121 nan 8.360 nan 0.000 0.505 441 K N 0.711 121.148 120.400 0.061 0.000 2.349 441 K HA 0.273 4.593 4.320 0.000 0.000 0.289 441 K C -0.835 175.802 176.600 0.062 0.000 1.064 441 K CA -0.232 56.089 56.287 0.056 0.000 0.947 441 K CB 0.653 33.184 32.500 0.052 0.000 1.007 441 K HN 0.033 nan 8.250 nan 0.000 0.478 442 A N 5.568 128.423 122.820 0.058 0.000 2.492 442 A HA 0.236 4.556 4.320 0.000 0.000 0.254 442 A C -0.407 177.208 177.584 0.051 0.000 1.091 442 A CA -0.118 51.954 52.037 0.059 0.000 0.768 442 A CB 0.021 19.060 19.000 0.065 0.000 1.028 442 A HN 0.769 nan 8.150 nan 0.000 0.498 443 L N 2.232 123.474 121.223 0.032 0.000 2.334 443 L HA 0.396 4.737 4.340 0.000 0.000 0.273 443 L C -0.610 176.246 176.870 -0.023 0.000 1.013 443 L CA -1.023 53.819 54.840 0.003 0.000 0.816 443 L CB 1.828 43.870 42.059 -0.029 0.000 1.278 443 L HN 0.571 nan 8.230 nan 0.000 0.431 444 D N 1.227 121.614 120.400 -0.021 0.000 2.256 444 D HA 0.477 5.117 4.640 0.000 0.000 0.250 444 D C -0.558 175.678 176.300 -0.106 0.000 1.093 444 D CA 0.014 54.005 54.000 -0.016 0.000 0.882 444 D CB 1.540 42.357 40.800 0.028 0.000 1.185 444 D HN 0.610 nan 8.370 nan 0.000 0.437 445 C N 0.468 119.709 119.300 -0.099 0.000 3.239 445 C HA 0.580 5.040 4.460 0.000 0.000 0.317 445 C C -0.923 174.022 174.990 -0.076 0.000 1.310 445 C CA -0.929 58.004 59.018 -0.143 0.000 1.371 445 C CB 1.184 28.777 27.740 -0.246 0.000 1.714 445 C HN 0.507 nan 8.230 nan 0.000 0.473 446 Q N 0.904 120.661 119.800 -0.072 0.000 2.271 446 Q HA 0.742 5.082 4.340 0.000 0.000 0.258 446 Q C -1.115 174.859 176.000 -0.044 0.000 0.936 446 Q CA -0.206 55.583 55.803 -0.022 0.000 0.909 446 Q CB 1.908 30.642 28.738 -0.007 0.000 1.253 446 Q HN 0.716 nan 8.270 nan 0.000 0.440 447 I N 2.827 123.384 120.570 -0.021 0.000 2.447 447 I HA 0.158 4.329 4.170 0.000 0.000 0.287 447 I C -1.014 175.130 176.117 0.045 0.000 1.023 447 I CA -0.732 60.478 61.300 -0.151 0.000 1.083 447 I CB 1.200 38.848 38.000 -0.586 0.000 1.245 447 I HN 0.640 nan 8.210 nan 0.000 0.434 448 Y N 5.202 125.555 120.300 0.088 0.000 3.491 448 Y HA -0.258 4.293 4.550 0.000 0.000 0.215 448 Y C 1.468 177.339 175.900 -0.048 0.000 1.219 448 Y CA 1.080 59.212 58.100 0.054 0.000 1.485 448 Y CB -2.005 36.506 38.460 0.084 0.000 1.450 448 Y HN 0.981 nan 8.280 nan 0.000 0.603 449 G N -2.257 106.632 108.800 0.148 0.000 2.253 449 G HA2 -0.025 3.935 3.960 0.000 0.000 0.251 449 G HA3 -0.025 3.935 3.960 0.000 0.000 0.251 449 G C 0.479 175.412 174.900 0.054 0.000 0.998 449 G CA 0.184 45.333 45.100 0.081 0.000 0.621 449 G HN 1.545 nan 8.290 nan 0.000 0.524 450 A N -0.565 122.288 122.820 0.055 0.000 2.293 450 A HA 0.660 4.980 4.320 0.000 0.000 0.302 450 A C 0.624 178.044 177.584 -0.272 0.000 1.119 450 A CA 0.436 52.346 52.037 -0.211 0.000 0.823 450 A CB 1.039 19.789 19.000 -0.416 0.000 1.097 450 A HN 1.535 nan 8.150 nan 0.000 0.491 451 C N 1.949 120.997 119.300 -0.419 0.000 2.330 451 C HA 0.757 5.217 4.460 0.000 0.000 0.344 451 C C -1.051 173.532 174.990 -0.679 0.000 1.273 451 C CA -0.483 58.367 59.018 -0.280 0.000 1.879 451 C CB -1.282 26.493 27.740 0.059 0.000 2.376 451 C HN 0.642 nan 8.230 nan 0.000 0.534 452 Y N 2.963 123.066 120.300 -0.328 0.000 2.425 452 Y HA 0.427 4.977 4.550 0.000 0.000 0.344 452 Y C 0.413 176.173 175.900 -0.233 0.000 0.969 452 Y CA -0.363 57.504 58.100 -0.387 0.000 1.052 452 Y CB 1.810 39.986 38.460 -0.474 0.000 1.215 452 Y HN 0.603 nan 8.280 nan 0.000 0.451 453 S N 4.687 120.348 115.700 -0.065 0.000 2.411 453 S HA 0.591 5.062 4.470 0.000 0.000 0.294 453 S C -0.931 173.718 174.600 0.081 0.000 1.115 453 S CA -0.519 57.706 58.200 0.041 0.000 1.071 453 S CB -0.483 62.770 63.200 0.087 0.000 0.967 453 S HN 0.449 nan 8.310 nan 0.000 0.488 454 I N 3.916 124.525 120.570 0.065 0.000 2.474 454 I HA 0.423 4.594 4.170 0.000 0.000 0.294 454 I C 0.249 176.406 176.117 0.067 0.000 1.005 454 I CA -0.719 60.633 61.300 0.087 0.000 1.113 454 I CB 1.794 39.836 38.000 0.071 0.000 1.289 454 I HN 0.649 nan 8.210 nan 0.000 0.436 455 E N 6.711 126.962 120.200 0.085 0.000 2.130 455 E HA 0.210 4.560 4.350 0.000 0.000 0.284 455 E C -1.637 175.029 176.600 0.110 0.000 1.018 455 E CA -1.488 54.964 56.400 0.086 0.000 0.817 455 E CB 1.482 31.231 29.700 0.082 0.000 1.078 455 E HN 0.288 nan 8.360 nan 0.000 0.396 456 P HA -0.197 nan 4.420 nan 0.000 0.218 456 P C 1.018 178.493 177.300 0.292 0.000 1.146 456 P CA 1.165 64.361 63.100 0.159 0.000 0.820 456 P CB 0.221 31.951 31.700 0.050 0.000 0.778 457 L N -1.050 120.312 121.223 0.233 0.000 2.291 457 L HA -0.087 4.253 4.340 0.000 0.000 0.214 457 L C 1.340 178.313 176.870 0.172 0.000 1.120 457 L CA 1.081 56.067 54.840 0.242 0.000 0.799 457 L CB -0.702 41.463 42.059 0.177 0.000 0.925 457 L HN -0.076 nan 8.230 nan 0.000 0.446 458 D N -0.061 120.421 120.400 0.136 0.000 2.363 458 D HA -0.029 4.612 4.640 0.000 0.000 0.226 458 D C 2.228 178.590 176.300 0.102 0.000 1.020 458 D CA 0.421 54.472 54.000 0.085 0.000 0.892 458 D CB 0.142 40.975 40.800 0.054 0.000 0.900 458 D HN 0.272 nan 8.370 nan 0.000 0.531 459 L N 0.832 122.163 121.223 0.180 0.000 2.042 459 L HA -0.159 4.181 4.340 0.000 0.000 0.210 459 L C -0.447 176.536 176.870 0.188 0.000 1.076 459 L CA 1.500 56.466 54.840 0.209 0.000 0.749 459 L CB -1.373 40.882 42.059 0.325 0.000 0.893 459 L HN 0.070 nan 8.230 nan 0.000 0.432 460 P HA -0.204 nan 4.420 nan 0.000 0.214 460 P C 1.372 178.732 177.300 0.100 0.000 1.163 460 P CA 1.311 64.454 63.100 0.071 0.000 0.889 460 P CB 0.031 31.609 31.700 -0.203 0.000 0.790 461 Q N -0.593 119.200 119.800 -0.011 0.000 2.030 461 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 461 Q C 2.215 178.210 176.000 -0.007 0.000 0.986 461 Q CA 1.490 57.273 55.803 -0.034 0.000 0.843 461 Q CB -1.185 27.512 28.738 -0.069 0.000 0.904 461 Q HN 0.249 nan 8.270 nan 0.000 0.420 462 I N 0.120 120.686 120.570 -0.007 0.000 2.118 462 I HA -0.312 3.859 4.170 0.000 0.000 0.241 462 I C 2.125 178.277 176.117 0.058 0.000 1.070 462 I CA 1.331 62.607 61.300 -0.041 0.000 1.327 462 I CB -0.398 37.604 38.000 0.004 0.000 1.034 462 I HN 0.190 nan 8.210 nan 0.000 0.405 463 I N 0.305 120.969 120.570 0.157 0.000 2.226 463 I HA -0.301 3.870 4.170 0.000 0.000 0.245 463 I C 2.663 178.822 176.117 0.070 0.000 1.100 463 I CA 1.454 62.857 61.300 0.172 0.000 1.374 463 I CB -0.445 37.609 38.000 0.089 0.000 1.057 463 I HN 0.313 nan 8.210 nan 0.000 0.413 464 E N 0.953 121.222 120.200 0.115 0.000 2.085 464 E HA -0.244 4.106 4.350 0.000 0.000 0.194 464 E C 2.351 178.958 176.600 0.012 0.000 0.994 464 E CA 1.130 57.578 56.400 0.080 0.000 0.801 464 E CB 0.118 29.917 29.700 0.165 0.000 0.743 464 E HN 0.305 nan 8.360 nan 0.000 0.453 465 R N -0.085 120.407 120.500 -0.013 0.000 2.115 465 R HA -0.028 4.313 4.340 0.000 0.000 0.226 465 R C 2.312 178.567 176.300 -0.076 0.000 1.100 465 R CA 0.669 56.736 56.100 -0.054 0.000 0.980 465 R CB -0.146 30.092 30.300 -0.102 0.000 0.875 465 R HN 0.337 nan 8.270 nan 0.000 0.445 466 L N -1.094 120.063 121.223 -0.109 0.000 2.463 466 L HA 0.079 4.419 4.340 0.000 0.000 0.219 466 L C 1.562 178.099 176.870 -0.554 0.000 1.088 466 L CA 0.605 55.264 54.840 -0.303 0.000 0.849 466 L CB -0.119 41.733 42.059 -0.345 0.000 1.012 466 L HN 0.211 nan 8.230 nan 0.000 0.468 467 H N -0.598 118.411 119.070 -0.103 0.000 3.266 467 H HA 0.335 4.891 4.556 0.000 0.000 0.246 467 H C 0.916 176.170 175.328 -0.123 0.000 0.998 467 H CA 0.781 56.753 56.048 -0.126 0.000 1.152 467 H CB 1.475 31.128 29.762 -0.180 0.000 1.466 467 H HN 0.223 nan 8.280 nan 0.000 0.481 468 G N 1.030 109.822 108.800 -0.014 0.000 2.663 468 G HA2 -0.200 3.760 3.960 0.000 0.000 0.686 468 G HA3 -0.200 3.760 3.960 0.000 0.000 0.686 468 G C 0.518 175.368 174.900 -0.083 0.000 1.288 468 G CA -0.166 44.918 45.100 -0.026 0.000 0.836 468 G HN 0.157 nan 8.290 nan 0.000 0.584 469 L N 0.982 122.215 121.223 0.017 0.000 2.083 469 L HA -0.112 4.228 4.340 0.000 0.000 0.209 469 L C 3.279 180.167 176.870 0.029 0.000 1.083 469 L CA 2.314 57.230 54.840 0.127 0.000 0.752 469 L CB -0.606 41.593 42.059 0.233 0.000 0.899 469 L HN 0.946 nan 8.230 nan 0.000 0.433 470 S N 0.239 115.930 115.700 -0.014 0.000 2.423 470 S HA -0.264 4.207 4.470 0.000 0.000 0.238 470 S C 2.110 176.639 174.600 -0.118 0.000 1.028 470 S CA 1.007 59.186 58.200 -0.035 0.000 1.000 470 S CB -0.598 62.572 63.200 -0.050 0.000 0.797 470 S HN 0.412 nan 8.310 nan 0.000 0.487 471 A N 0.925 123.587 122.820 -0.262 0.000 2.024 471 A HA 0.078 4.398 4.320 0.000 0.000 0.220 471 A C 1.641 179.017 177.584 -0.348 0.000 1.164 471 A CA 1.286 53.078 52.037 -0.409 0.000 0.643 471 A CB -0.882 17.755 19.000 -0.606 0.000 0.806 471 A HN 0.591 nan 8.150 nan 0.000 0.451 472 F N -0.410 119.554 119.950 0.023 0.000 2.789 472 F HA 0.150 4.677 4.527 0.000 0.000 0.300 472 F C 1.606 177.454 175.800 0.079 0.000 1.132 472 F CA 0.704 58.746 58.000 0.071 0.000 1.404 472 F CB 0.124 39.210 39.000 0.143 0.000 1.114 472 F HN 0.083 nan 8.300 nan 0.000 0.584 473 S N -0.494 115.310 115.700 0.175 0.000 2.780 473 S HA 0.306 4.776 4.470 0.000 0.000 0.248 473 S C 0.343 175.014 174.600 0.117 0.000 1.036 473 S CA -0.310 57.983 58.200 0.155 0.000 1.061 473 S CB 0.275 63.559 63.200 0.139 0.000 1.037 473 S HN 0.002 nan 8.310 nan 0.000 0.584 474 L N 3.611 124.833 121.223 -0.001 0.000 2.416 474 L HA 0.373 4.713 4.340 0.000 0.000 0.272 474 L C 0.443 177.242 176.870 -0.119 0.000 1.161 474 L CA 0.176 54.908 54.840 -0.179 0.000 0.845 474 L CB 0.204 42.020 42.059 -0.406 0.000 1.119 474 L HN 0.521 nan 8.230 nan 0.000 0.464 475 H N -1.298 117.603 119.070 -0.282 0.000 2.942 475 H HA 0.421 4.977 4.556 0.000 0.000 0.316 475 H C -0.138 175.053 175.328 -0.228 0.000 1.323 475 H CA -0.853 55.090 56.048 -0.175 0.000 1.144 475 H CB 1.198 30.953 29.762 -0.011 0.000 1.866 475 H HN 0.405 nan 8.280 nan 0.000 0.545 476 S N -0.882 114.831 115.700 0.021 0.000 3.711 476 S HA -0.238 4.232 4.470 0.000 0.000 0.374 476 S C -0.557 174.053 174.600 0.018 0.000 0.969 476 S CA 0.494 58.717 58.200 0.038 0.000 1.198 476 S CB -2.669 60.500 63.200 -0.052 0.000 0.903 476 S HN 0.541 nan 8.310 nan 0.000 0.493 477 Y N 2.055 122.394 120.300 0.065 0.000 2.511 477 Y HA 0.232 4.782 4.550 0.000 0.000 0.347 477 Y C 1.413 177.369 175.900 0.094 0.000 1.257 477 Y CA 0.667 58.812 58.100 0.076 0.000 1.469 477 Y CB 0.343 38.837 38.460 0.056 0.000 1.353 477 Y HN 0.514 nan 8.280 nan 0.000 0.617 478 S N 1.770 117.629 115.700 0.265 0.000 2.585 478 S HA 0.152 4.622 4.470 0.000 0.000 0.273 478 S C -1.957 172.731 174.600 0.146 0.000 1.339 478 S CA -1.156 57.143 58.200 0.166 0.000 1.028 478 S CB 1.263 64.538 63.200 0.126 0.000 0.906 478 S HN 0.438 nan 8.310 nan 0.000 0.528 479 P HA 0.017 nan 4.420 nan 0.000 0.218 479 P C 1.676 179.018 177.300 0.071 0.000 1.148 479 P CA 1.554 64.703 63.100 0.082 0.000 0.822 479 P CB -0.428 31.311 31.700 0.064 0.000 0.784 480 G N 0.114 108.955 108.800 0.068 0.000 2.459 480 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 480 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 480 G C 1.678 176.613 174.900 0.060 0.000 1.183 480 G CA 0.971 46.102 45.100 0.052 0.000 0.776 480 G HN 0.242 nan 8.290 nan 0.000 0.552 481 E N 0.674 120.931 120.200 0.094 0.000 2.051 481 E HA -0.073 4.277 4.350 0.000 0.000 0.192 481 E C 2.470 179.118 176.600 0.081 0.000 0.991 481 E CA 0.886 57.355 56.400 0.114 0.000 0.799 481 E CB -0.442 29.386 29.700 0.214 0.000 0.748 481 E HN 0.507 nan 8.360 nan 0.000 0.449 482 I N 0.911 121.533 120.570 0.087 0.000 2.163 482 I HA -0.332 3.838 4.170 0.000 0.000 0.243 482 I C 1.992 178.133 176.117 0.041 0.000 1.085 482 I CA 1.274 62.609 61.300 0.059 0.000 1.347 482 I CB -0.442 37.607 38.000 0.082 0.000 1.044 482 I HN 0.172 nan 8.210 nan 0.000 0.408 483 N N 0.595 119.320 118.700 0.042 0.000 2.120 483 N HA -0.203 4.537 4.740 0.000 0.000 0.188 483 N C 1.923 177.440 175.510 0.013 0.000 1.024 483 N CA 1.208 54.275 53.050 0.028 0.000 0.852 483 N CB -0.447 38.057 38.487 0.029 0.000 1.003 483 N HN 0.364 nan 8.380 nan 0.000 0.424 484 R N 0.985 121.488 120.500 0.006 0.000 2.075 484 R HA -0.027 4.314 4.340 0.000 0.000 0.232 484 R C 1.955 178.228 176.300 -0.044 0.000 1.126 484 R CA 0.855 56.943 56.100 -0.021 0.000 0.963 484 R CB -0.138 30.145 30.300 -0.029 0.000 0.858 484 R HN -0.048 nan 8.270 nan 0.000 0.435 485 V N 1.114 121.010 119.914 -0.030 0.000 2.237 485 V HA -0.252 3.868 4.120 0.000 0.000 0.245 485 V C 2.504 178.583 176.094 -0.026 0.000 1.046 485 V CA 2.055 64.329 62.300 -0.042 0.000 1.007 485 V CB -0.851 30.972 31.823 -0.000 0.000 0.638 485 V HN 0.572 nan 8.190 nan 0.000 0.445 486 A N 0.279 123.100 122.820 0.001 0.000 1.908 486 A HA -0.253 4.067 4.320 0.000 0.000 0.218 486 A C 2.564 180.156 177.584 0.012 0.000 1.181 486 A CA 2.525 54.572 52.037 0.017 0.000 0.627 486 A CB -0.858 18.159 19.000 0.029 0.000 0.818 486 A HN 0.669 nan 8.150 nan 0.000 0.445 487 S N -1.349 114.354 115.700 0.004 0.000 2.447 487 S HA -0.168 4.302 4.470 0.000 0.000 0.233 487 S C 1.978 176.576 174.600 -0.003 0.000 1.006 487 S CA 1.352 59.555 58.200 0.006 0.000 0.957 487 S CB -1.140 62.062 63.200 0.004 0.000 0.773 487 S HN 0.747 nan 8.310 nan 0.000 0.507 488 C N 1.317 120.600 119.300 -0.028 0.000 2.466 488 C HA 0.201 4.662 4.460 0.000 0.000 0.278 488 C C 2.562 177.537 174.990 -0.025 0.000 1.288 488 C CA 0.591 59.582 59.018 -0.046 0.000 1.722 488 C CB -1.649 26.025 27.740 -0.111 0.000 2.017 488 C HN 0.704 nan 8.230 nan 0.000 0.488 489 L N 0.599 121.812 121.223 -0.016 0.000 2.046 489 L HA -0.118 4.222 4.340 0.000 0.000 0.208 489 L C 3.033 179.904 176.870 0.002 0.000 1.077 489 L CA 1.689 56.531 54.840 0.002 0.000 0.747 489 L CB -0.937 41.144 42.059 0.038 0.000 0.896 489 L HN 0.369 nan 8.230 nan 0.000 0.432 490 R N 0.532 121.046 120.500 0.023 0.000 2.070 490 R HA -0.189 4.151 4.340 0.000 0.000 0.233 490 R C 2.378 178.739 176.300 0.101 0.000 1.137 490 R CA 1.493 57.623 56.100 0.050 0.000 0.945 490 R CB -0.375 29.956 30.300 0.053 0.000 0.845 490 R HN 0.273 nan 8.270 nan 0.000 0.430 491 K N 0.972 121.425 120.400 0.087 0.000 2.074 491 K HA -0.148 4.172 4.320 0.000 0.000 0.209 491 K C 1.930 178.659 176.600 0.214 0.000 1.048 491 K CA 1.376 57.741 56.287 0.129 0.000 0.926 491 K CB -0.017 32.523 32.500 0.068 0.000 0.713 491 K HN 0.160 nan 8.250 nan 0.000 0.444 492 L N -0.978 120.290 121.223 0.075 0.000 2.477 492 L HA 0.115 4.455 4.340 0.000 0.000 0.220 492 L C 0.942 177.636 176.870 -0.293 0.000 1.106 492 L CA 0.523 55.371 54.840 0.013 0.000 0.851 492 L CB 0.209 42.269 42.059 0.002 0.000 0.994 492 L HN 0.598 nan 8.230 nan 0.000 0.462 493 G N 1.030 109.525 108.800 -0.509 0.000 2.212 493 G HA2 -0.219 3.741 3.960 0.000 0.000 0.255 493 G HA3 -0.219 3.741 3.960 0.000 0.000 0.255 493 G C -0.057 174.688 174.900 -0.259 0.000 1.062 493 G CA 0.004 44.664 45.100 -0.733 0.000 0.815 493 G HN 0.088 nan 8.290 nan 0.000 0.497 494 V N 0.935 120.796 119.914 -0.089 0.000 2.546 494 V HA 0.433 4.553 4.120 0.000 0.000 0.284 494 V C -1.214 174.968 176.094 0.147 0.000 1.050 494 V CA -1.535 60.810 62.300 0.076 0.000 0.981 494 V CB 1.491 33.376 31.823 0.102 0.000 0.990 494 V HN 0.191 nan 8.190 nan 0.000 0.474 495 P HA 0.124 nan 4.420 nan 0.000 0.267 495 P C -2.464 174.997 177.300 0.269 0.000 1.200 495 P CA -0.792 62.377 63.100 0.115 0.000 0.772 495 P CB -0.245 31.365 31.700 -0.150 0.000 0.855 496 P HA 0.020 nan 4.420 nan 0.000 0.269 496 P C 0.867 178.357 177.300 0.316 0.000 1.217 496 P CA 0.119 63.331 63.100 0.187 0.000 0.783 496 P CB 0.680 32.439 31.700 0.099 0.000 0.898 497 L N 0.807 122.204 121.223 0.290 0.000 2.265 497 L HA -0.170 4.170 4.340 0.000 0.000 0.215 497 L C 2.848 179.911 176.870 0.323 0.000 1.117 497 L CA 1.396 56.441 54.840 0.340 0.000 0.782 497 L CB -0.723 41.444 42.059 0.179 0.000 0.914 497 L HN 0.487 nan 8.230 nan 0.000 0.441 498 R N -0.156 120.473 120.500 0.215 0.000 2.092 498 R HA -0.103 4.237 4.340 0.000 0.000 0.231 498 R C 1.950 178.346 176.300 0.160 0.000 1.119 498 R CA 1.426 57.632 56.100 0.176 0.000 0.970 498 R CB -0.906 29.456 30.300 0.104 0.000 0.864 498 R HN 0.124 nan 8.270 nan 0.000 0.440 499 V N 0.540 120.503 119.914 0.082 0.000 2.343 499 V HA -0.195 3.925 4.120 0.000 0.000 0.247 499 V C 1.929 178.002 176.094 -0.035 0.000 1.051 499 V CA 1.883 64.147 62.300 -0.060 0.000 1.036 499 V CB -0.680 30.992 31.823 -0.252 0.000 0.654 499 V HN 0.402 nan 8.190 nan 0.000 0.451 500 W N 0.043 121.457 121.300 0.190 0.000 2.388 500 W HA -0.071 4.590 4.660 0.000 0.000 0.294 500 W C 2.735 179.481 176.519 0.378 0.000 1.212 500 W CA 1.347 58.849 57.345 0.261 0.000 1.271 500 W CB -0.268 29.336 29.460 0.239 0.000 1.126 500 W HN 0.047 nan 8.180 nan 0.000 0.535 501 R N -0.327 120.518 120.500 0.575 0.000 2.073 501 R HA -0.232 4.108 4.340 0.000 0.000 0.234 501 R C 2.107 178.535 176.300 0.214 0.000 1.134 501 R CA 2.165 58.552 56.100 0.478 0.000 0.952 501 R CB -0.706 29.846 30.300 0.419 0.000 0.850 501 R HN 0.223 nan 8.270 nan 0.000 0.433 502 H N 0.176 119.304 119.070 0.096 0.000 2.290 502 H HA -0.071 4.486 4.556 0.000 0.000 0.298 502 H C 2.078 177.388 175.328 -0.028 0.000 1.087 502 H CA 2.342 58.393 56.048 0.006 0.000 1.291 502 H CB 0.074 29.824 29.762 -0.020 0.000 1.369 502 H HN 0.120 nan 8.280 nan 0.000 0.492 503 R N -0.286 120.234 120.500 0.034 0.000 2.105 503 R HA -0.114 4.226 4.340 0.000 0.000 0.239 503 R C 2.537 178.784 176.300 -0.089 0.000 1.135 503 R CA 1.085 57.159 56.100 -0.043 0.000 0.967 503 R CB -0.327 29.969 30.300 -0.007 0.000 0.861 503 R HN 0.423 nan 8.270 nan 0.000 0.442 504 A N 1.132 123.943 122.820 -0.016 0.000 1.930 504 A HA -0.146 4.174 4.320 0.000 0.000 0.217 504 A C 2.004 179.327 177.584 -0.435 0.000 1.175 504 A CA 1.067 52.978 52.037 -0.211 0.000 0.627 504 A CB -0.307 18.669 19.000 -0.041 0.000 0.815 504 A HN 0.224 nan 8.150 nan 0.000 0.443 505 R N -0.555 119.746 120.500 -0.331 0.000 2.120 505 R HA -0.102 4.238 4.340 0.000 0.000 0.234 505 R C 2.554 178.671 176.300 -0.304 0.000 1.123 505 R CA 1.423 57.334 56.100 -0.316 0.000 0.975 505 R CB -0.390 29.752 30.300 -0.264 0.000 0.866 505 R HN 0.569 nan 8.270 nan 0.000 0.446 506 S N 0.338 115.853 115.700 -0.307 0.000 2.345 506 S HA -0.078 4.392 4.470 0.000 0.000 0.219 506 S C 2.079 176.529 174.600 -0.251 0.000 1.031 506 S CA 1.036 59.084 58.200 -0.253 0.000 0.984 506 S CB -0.109 62.952 63.200 -0.231 0.000 0.874 506 S HN 0.092 nan 8.310 nan 0.000 0.451 507 V N 2.710 122.434 119.914 -0.316 0.000 2.287 507 V HA -0.176 3.944 4.120 0.000 0.000 0.248 507 V C 2.741 178.567 176.094 -0.446 0.000 1.053 507 V CA 2.341 64.421 62.300 -0.366 0.000 1.027 507 V CB -0.866 30.662 31.823 -0.490 0.000 0.646 507 V HN 0.504 nan 8.190 nan 0.000 0.447 508 R N 0.217 120.357 120.500 -0.600 0.000 2.080 508 R HA -0.205 4.135 4.340 0.000 0.000 0.236 508 R C 2.310 178.476 176.300 -0.223 0.000 1.137 508 R CA 1.915 57.764 56.100 -0.417 0.000 0.943 508 R CB -0.523 29.559 30.300 -0.364 0.000 0.846 508 R HN 0.482 nan 8.270 nan 0.000 0.431 509 A N 0.908 123.604 122.820 -0.205 0.000 1.933 509 A HA -0.163 4.157 4.320 0.000 0.000 0.218 509 A C 2.189 179.710 177.584 -0.104 0.000 1.175 509 A CA 1.530 53.484 52.037 -0.139 0.000 0.628 509 A CB -0.418 18.502 19.000 -0.135 0.000 0.814 509 A HN 0.388 nan 8.150 nan 0.000 0.444 510 R N -0.675 119.759 120.500 -0.110 0.000 2.092 510 R HA 0.029 4.369 4.340 0.000 0.000 0.231 510 R C 2.018 178.295 176.300 -0.038 0.000 1.119 510 R CA 1.234 57.294 56.100 -0.067 0.000 0.970 510 R CB -0.428 29.834 30.300 -0.064 0.000 0.864 510 R HN 0.502 nan 8.270 nan 0.000 0.440 511 L N 0.370 121.563 121.223 -0.050 0.000 2.005 511 L HA -0.177 4.163 4.340 0.000 0.000 0.207 511 L C 2.309 179.175 176.870 -0.007 0.000 1.072 511 L CA 1.255 56.093 54.840 -0.004 0.000 0.744 511 L CB -0.438 41.614 42.059 -0.011 0.000 0.895 511 L HN 0.183 nan 8.230 nan 0.000 0.433 512 L N -0.877 120.325 121.223 -0.035 0.000 2.042 512 L HA -0.243 4.098 4.340 0.000 0.000 0.210 512 L C 2.677 179.534 176.870 -0.022 0.000 1.076 512 L CA 1.182 56.004 54.840 -0.030 0.000 0.749 512 L CB -0.599 41.429 42.059 -0.052 0.000 0.893 512 L HN 0.218 nan 8.230 nan 0.000 0.432 513 S N -0.739 114.945 115.700 -0.027 0.000 2.440 513 S HA -0.227 4.244 4.470 0.000 0.000 0.240 513 S C 1.789 176.385 174.600 -0.007 0.000 1.014 513 S CA 1.220 59.408 58.200 -0.021 0.000 0.980 513 S CB -0.188 62.996 63.200 -0.026 0.000 0.775 513 S HN 0.513 nan 8.310 nan 0.000 0.499 514 Q N 0.041 119.843 119.800 0.003 0.000 2.392 514 Q HA 0.285 4.625 4.340 0.000 0.000 0.203 514 Q C 1.247 177.259 176.000 0.019 0.000 0.917 514 Q CA 0.216 56.029 55.803 0.016 0.000 0.939 514 Q CB 0.291 29.047 28.738 0.030 0.000 1.063 514 Q HN 0.526 nan 8.270 nan 0.000 0.516 515 G N 0.501 109.310 108.800 0.015 0.000 2.692 515 G HA2 -0.192 3.768 3.960 0.000 0.000 0.248 515 G HA3 -0.192 3.768 3.960 0.000 0.000 0.248 515 G C 0.486 175.403 174.900 0.028 0.000 1.340 515 G CA -0.248 44.862 45.100 0.017 0.000 0.896 515 G HN 0.682 nan 8.290 nan 0.000 0.570 516 G N -0.931 107.885 108.800 0.027 0.000 2.614 516 G HA2 -0.283 3.678 3.960 0.000 0.000 0.303 516 G HA3 -0.283 3.678 3.960 0.000 0.000 0.303 516 G C 1.166 176.092 174.900 0.043 0.000 1.270 516 G CA 1.449 46.568 45.100 0.033 0.000 0.988 516 G HN 1.452 nan 8.290 nan 0.000 0.551 517 R N 0.554 121.085 120.500 0.051 0.000 2.189 517 R HA 0.187 4.527 4.340 0.000 0.000 0.218 517 R C 3.122 179.475 176.300 0.088 0.000 1.074 517 R CA 1.457 57.595 56.100 0.063 0.000 0.991 517 R CB -0.430 29.911 30.300 0.068 0.000 0.883 517 R HN 0.610 nan 8.270 nan 0.000 0.457 518 A N 1.350 124.225 122.820 0.092 0.000 1.898 518 A HA -0.084 4.236 4.320 0.000 0.000 0.216 518 A C 2.354 179.982 177.584 0.073 0.000 1.181 518 A CA 1.591 53.694 52.037 0.111 0.000 0.620 518 A CB -0.471 18.589 19.000 0.100 0.000 0.819 518 A HN 0.356 nan 8.150 nan 0.000 0.442 519 A N -0.896 121.954 122.820 0.050 0.000 1.930 519 A HA -0.061 4.259 4.320 0.000 0.000 0.217 519 A C 2.284 179.893 177.584 0.043 0.000 1.175 519 A CA 2.221 54.276 52.037 0.030 0.000 0.627 519 A CB -1.243 17.769 19.000 0.020 0.000 0.815 519 A HN 0.430 nan 8.150 nan 0.000 0.443 520 T N -0.505 114.090 114.554 0.068 0.000 2.684 520 T HA -0.217 4.133 4.350 0.000 0.000 0.267 520 T C 1.923 176.694 174.700 0.119 0.000 1.036 520 T CA 1.664 63.835 62.100 0.118 0.000 1.148 520 T CB -0.774 68.133 68.868 0.064 0.000 0.863 520 T HN 0.584 nan 8.240 nan 0.000 0.436 521 C N 1.399 120.734 119.300 0.058 0.000 2.413 521 C HA 0.011 4.471 4.460 0.000 0.000 0.276 521 C C 3.137 178.128 174.990 0.001 0.000 1.236 521 C CA 0.504 59.516 59.018 -0.009 0.000 1.735 521 C CB -1.607 26.110 27.740 -0.040 0.000 2.031 521 C HN 0.743 nan 8.230 nan 0.000 0.474 522 G N 0.043 108.862 108.800 0.031 0.000 2.442 522 G HA2 -0.276 3.685 3.960 0.000 0.000 0.219 522 G HA3 -0.276 3.685 3.960 0.000 0.000 0.219 522 G C 1.657 176.569 174.900 0.020 0.000 1.141 522 G CA 1.175 46.308 45.100 0.055 0.000 0.763 522 G HN 0.655 nan 8.290 nan 0.000 0.554 523 K N -0.917 119.458 120.400 -0.041 0.000 2.031 523 K HA -0.017 4.303 4.320 0.000 0.000 0.205 523 K C 2.183 178.590 176.600 -0.322 0.000 1.049 523 K CA 0.892 57.068 56.287 -0.185 0.000 0.939 523 K CB -0.221 32.136 32.500 -0.238 0.000 0.717 523 K HN 0.410 nan 8.250 nan 0.000 0.438 524 Y N 0.707 120.842 120.300 -0.274 0.000 2.231 524 Y HA 0.011 4.561 4.550 0.000 0.000 0.294 524 Y C 2.001 177.667 175.900 -0.390 0.000 1.120 524 Y CA 0.757 58.520 58.100 -0.561 0.000 1.141 524 Y CB 0.076 37.918 38.460 -1.031 0.000 1.022 524 Y HN -0.058 nan 8.280 nan 0.000 0.523 525 L N -1.897 119.252 121.223 -0.123 0.000 2.291 525 L HA -0.091 4.249 4.340 0.000 0.000 0.214 525 L C 0.553 177.227 176.870 -0.327 0.000 1.120 525 L CA 1.141 55.874 54.840 -0.179 0.000 0.799 525 L CB -0.199 41.610 42.059 -0.418 0.000 0.925 525 L HN 0.181 nan 8.230 nan 0.000 0.446 526 F N -1.605 118.319 119.950 -0.043 0.000 2.735 526 F HA 0.194 4.721 4.527 0.000 0.000 0.308 526 F C 1.572 177.074 175.800 -0.497 0.000 1.112 526 F CA -0.365 57.410 58.000 -0.374 0.000 1.235 526 F CB -0.295 38.482 39.000 -0.372 0.000 1.027 526 F HN -0.098 nan 8.300 nan 0.000 0.528 527 N N 1.090 119.730 118.700 -0.099 0.000 2.289 527 N HA -0.189 4.551 4.740 0.000 0.000 0.184 527 N C 2.016 177.509 175.510 -0.029 0.000 1.016 527 N CA 1.598 54.603 53.050 -0.076 0.000 0.872 527 N CB -0.197 38.268 38.487 -0.037 0.000 0.973 527 N HN 0.543 nan 8.380 nan 0.000 0.433 528 W N -0.003 121.341 121.300 0.074 0.000 2.392 528 W HA 0.048 4.708 4.660 0.000 0.000 0.279 528 W C 1.409 177.991 176.519 0.104 0.000 1.225 528 W CA 0.791 58.189 57.345 0.088 0.000 1.233 528 W CB -0.943 28.576 29.460 0.098 0.000 1.122 528 W HN 0.035 nan 8.180 nan 0.000 0.561 529 A N 1.555 123.998 122.820 -0.629 0.000 2.016 529 A HA 0.116 4.436 4.320 0.000 0.000 0.217 529 A C 1.198 178.657 177.584 -0.208 0.000 1.162 529 A CA 1.346 53.020 52.037 -0.605 0.000 0.662 529 A CB -0.929 17.503 19.000 -0.947 0.000 0.812 529 A HN 0.137 nan 8.150 nan 0.000 0.450 530 V N -2.871 116.943 119.914 -0.165 0.000 2.532 530 V HA 0.434 4.555 4.120 0.000 0.000 0.295 530 V C 0.654 176.726 176.094 -0.037 0.000 1.041 530 V CA -0.772 61.471 62.300 -0.095 0.000 0.926 530 V CB 1.417 33.173 31.823 -0.110 0.000 0.992 530 V HN 0.336 nan 8.190 nan 0.000 0.457 531 K N 1.461 121.847 120.400 -0.024 0.000 2.057 531 K HA -0.030 4.290 4.320 0.000 0.000 0.206 531 K C 1.247 177.835 176.600 -0.021 0.000 1.050 531 K CA 1.604 57.886 56.287 -0.009 0.000 0.935 531 K CB -0.131 32.366 32.500 -0.005 0.000 0.715 531 K HN 0.891 nan 8.250 nan 0.000 0.439 532 T N 2.277 116.812 114.554 -0.033 0.000 3.151 532 T HA 0.110 4.460 4.350 0.000 0.000 0.332 532 T C -0.385 174.287 174.700 -0.046 0.000 1.245 532 T CA -0.954 61.124 62.100 -0.036 0.000 1.019 532 T CB 0.106 68.953 68.868 -0.035 0.000 1.109 532 T HN -0.123 nan 8.240 nan 0.000 0.621 533 K N 3.159 123.534 120.400 -0.042 0.000 2.319 533 K HA 0.253 4.573 4.320 0.000 0.000 0.265 533 K C 0.159 176.720 176.600 -0.065 0.000 1.000 533 K CA -0.623 55.633 56.287 -0.051 0.000 0.943 533 K CB 0.581 33.061 32.500 -0.034 0.000 0.950 533 K HN 0.390 nan 8.250 nan 0.000 0.485 534 L N 1.538 122.706 121.223 -0.092 0.000 2.399 534 L HA 0.218 4.558 4.340 0.000 0.000 0.265 534 L C 0.255 177.054 176.870 -0.119 0.000 1.089 534 L CA -0.341 54.431 54.840 -0.113 0.000 0.802 534 L CB 0.487 42.452 42.059 -0.158 0.000 1.180 534 L HN 0.423 nan 8.230 nan 0.000 0.454 535 K N 1.943 122.278 120.400 -0.108 0.000 2.285 535 K HA 0.386 4.706 4.320 0.000 0.000 0.286 535 K C -1.214 175.309 176.600 -0.129 0.000 1.072 535 K CA 0.226 56.463 56.287 -0.083 0.000 0.913 535 K CB -0.027 32.447 32.500 -0.043 0.000 1.067 535 K HN 0.447 nan 8.250 nan 0.000 0.479 536 L N 5.620 126.778 121.223 -0.109 0.000 2.270 536 L HA 0.286 4.626 4.340 0.000 0.000 0.286 536 L C 0.425 177.363 176.870 0.112 0.000 1.059 536 L CA -0.769 53.999 54.840 -0.119 0.000 0.839 536 L CB 0.617 42.611 42.059 -0.109 0.000 1.221 536 L HN 0.768 nan 8.230 nan 0.000 0.431 537 T N 0.473 115.125 114.554 0.163 0.000 2.927 537 T HA 0.493 4.843 4.350 0.000 0.000 0.281 537 T C -2.496 172.339 174.700 0.224 0.000 0.998 537 T CA -2.226 59.974 62.100 0.165 0.000 1.019 537 T CB 1.281 70.213 68.868 0.106 0.000 1.061 537 T HN 0.157 nan 8.240 nan 0.000 0.518 538 P HA 0.107 nan 4.420 nan 0.000 0.261 538 P C -0.424 176.894 177.300 0.030 0.000 1.173 538 P CA 0.182 63.330 63.100 0.080 0.000 0.760 538 P CB -0.016 31.716 31.700 0.052 0.000 0.783 539 I N 6.870 127.396 120.570 -0.073 0.000 2.452 539 I HA 0.043 4.213 4.170 0.000 0.000 0.287 539 I C -1.051 175.022 176.117 -0.074 0.000 1.079 539 I CA -1.485 59.722 61.300 -0.156 0.000 1.387 539 I CB 0.758 38.554 38.000 -0.341 0.000 1.404 539 I HN 0.372 nan 8.210 nan 0.000 0.522 540 P HA -0.240 nan 4.420 nan 0.000 0.216 540 P C 1.249 178.527 177.300 -0.037 0.000 1.153 540 P CA 1.285 64.370 63.100 -0.027 0.000 0.858 540 P CB 0.217 31.908 31.700 -0.014 0.000 0.789 541 A N -0.682 122.107 122.820 -0.051 0.000 2.119 541 A HA 0.135 4.455 4.320 0.000 0.000 0.216 541 A C 2.219 179.766 177.584 -0.062 0.000 1.152 541 A CA 1.257 53.264 52.037 -0.050 0.000 0.708 541 A CB -1.244 17.728 19.000 -0.047 0.000 0.805 541 A HN 0.177 nan 8.150 nan 0.000 0.460 542 A N -0.080 122.698 122.820 -0.071 0.000 1.908 542 A HA -0.102 4.218 4.320 0.000 0.000 0.218 542 A C 2.355 179.898 177.584 -0.069 0.000 1.181 542 A CA 2.077 54.070 52.037 -0.073 0.000 0.627 542 A CB -0.748 18.214 19.000 -0.062 0.000 0.818 542 A HN 0.444 nan 8.150 nan 0.000 0.445 543 S N -0.424 115.245 115.700 -0.052 0.000 2.453 543 S HA -0.091 4.379 4.470 0.000 0.000 0.231 543 S C 1.930 176.500 174.600 -0.050 0.000 1.005 543 S CA 0.931 59.104 58.200 -0.045 0.000 0.949 543 S CB -0.131 63.051 63.200 -0.029 0.000 0.774 543 S HN 0.588 nan 8.310 nan 0.000 0.510 544 Q N 0.498 120.268 119.800 -0.051 0.000 2.269 544 Q HA 0.193 4.533 4.340 0.000 0.000 0.201 544 Q C 0.628 176.590 176.000 -0.065 0.000 0.946 544 Q CA 0.136 55.910 55.803 -0.048 0.000 0.877 544 Q CB -0.232 28.483 28.738 -0.038 0.000 0.963 544 Q HN 0.477 nan 8.270 nan 0.000 0.472 545 L N 2.772 123.942 121.223 -0.089 0.000 2.540 545 L HA -0.073 4.267 4.340 0.000 0.000 0.276 545 L C 0.314 177.096 176.870 -0.146 0.000 1.212 545 L CA -0.016 54.748 54.840 -0.125 0.000 0.893 545 L CB 0.250 42.204 42.059 -0.176 0.000 1.138 545 L HN -0.011 nan 8.230 nan 0.000 0.491 546 D N 5.198 125.517 120.400 -0.135 0.000 2.453 546 D HA 0.154 4.794 4.640 0.000 0.000 0.223 546 D C 0.400 176.566 176.300 -0.223 0.000 1.183 546 D CA 0.095 54.018 54.000 -0.128 0.000 0.933 546 D CB 0.453 41.214 40.800 -0.066 0.000 1.038 546 D HN 0.363 nan 8.370 nan 0.000 0.513 547 L N 2.355 123.390 121.223 -0.314 0.000 2.872 547 L HA 0.123 4.464 4.340 0.000 0.000 0.245 547 L C 0.765 177.475 176.870 -0.266 0.000 1.211 547 L CA -0.312 54.178 54.840 -0.583 0.000 1.013 547 L CB 0.044 41.651 42.059 -0.754 0.000 1.326 547 L HN 0.246 nan 8.230 nan 0.000 0.525 548 S N -0.348 115.292 115.700 -0.100 0.000 2.499 548 S HA 0.516 4.986 4.470 0.000 0.000 0.275 548 S C 1.079 175.708 174.600 0.048 0.000 1.257 548 S CA 0.396 58.592 58.200 -0.007 0.000 1.050 548 S CB 1.388 64.581 63.200 -0.011 0.000 0.937 548 S HN 0.533 nan 8.310 nan 0.000 0.490 549 G N 2.935 111.781 108.800 0.077 0.000 2.184 549 G HA2 -0.202 3.758 3.960 0.000 0.000 0.206 549 G HA3 -0.202 3.758 3.960 0.000 0.000 0.206 549 G C 0.373 175.364 174.900 0.151 0.000 0.995 549 G CA 0.083 45.199 45.100 0.026 0.000 0.651 549 G HN 0.659 nan 8.290 nan 0.000 0.511 550 W N 0.206 121.364 121.300 -0.237 0.000 2.481 550 W HA 0.528 5.189 4.660 0.000 0.000 0.293 550 W C 1.028 177.081 176.519 -0.777 0.000 1.201 550 W CA 1.036 57.990 57.345 -0.653 0.000 1.328 550 W CB -0.122 28.707 29.460 -1.051 0.000 1.112 550 W HN 0.170 nan 8.180 nan 0.000 0.546 551 F N -0.570 119.567 119.950 0.312 0.000 2.542 551 F HA 0.303 4.830 4.527 0.000 0.000 0.323 551 F C 0.544 176.472 175.800 0.213 0.000 1.411 551 F CA -0.630 57.546 58.000 0.292 0.000 1.124 551 F CB -0.316 38.827 39.000 0.239 0.000 1.331 551 F HN -0.387 nan 8.300 nan 0.000 0.560 552 V N -0.087 120.027 119.914 0.333 0.000 2.806 552 V HA 0.616 4.736 4.120 0.000 0.000 0.239 552 V C 0.959 177.218 176.094 0.276 0.000 1.113 552 V CA 0.711 63.157 62.300 0.243 0.000 1.137 552 V CB 0.311 32.244 31.823 0.183 0.000 0.865 552 V HN 0.405 nan 8.190 nan 0.000 0.482 553 A N -0.746 122.222 122.820 0.247 0.000 2.610 553 A HA 0.756 5.077 4.320 0.000 0.000 0.291 553 A C -0.310 177.022 177.584 -0.420 0.000 1.086 553 A CA 0.093 52.129 52.037 -0.002 0.000 0.677 553 A CB 0.920 19.738 19.000 -0.303 0.000 1.278 553 A HN 0.388 nan 8.150 nan 0.000 0.414 554 G N -1.275 106.936 108.800 -0.983 0.000 2.400 554 G HA2 0.548 4.508 3.960 0.000 0.000 0.301 554 G HA3 0.548 4.508 3.960 0.000 0.000 0.301 554 G C -0.871 173.380 174.900 -1.081 0.000 1.154 554 G CA -0.107 44.079 45.100 -1.522 0.000 0.852 554 G HN 0.648 nan 8.290 nan 0.000 0.511 555 Y N 0.499 120.593 120.300 -0.342 0.000 2.777 555 Y HA 0.277 4.827 4.550 0.000 0.000 0.248 555 Y C 1.261 177.090 175.900 -0.118 0.000 1.127 555 Y CA -0.809 57.188 58.100 -0.171 0.000 1.149 555 Y CB 0.463 38.846 38.460 -0.128 0.000 1.230 555 Y HN 0.504 nan 8.280 nan 0.000 0.586 556 S N 1.129 116.808 115.700 -0.035 0.000 2.737 556 S HA 0.280 4.751 4.470 0.000 0.000 0.315 556 S C 1.423 176.052 174.600 0.048 0.000 1.236 556 S CA 1.610 59.822 58.200 0.021 0.000 1.093 556 S CB -0.282 62.936 63.200 0.030 0.000 0.832 556 S HN 1.086 nan 8.310 nan 0.000 0.507 557 G N 3.543 112.376 108.800 0.054 0.000 2.179 557 G HA2 -0.215 3.746 3.960 0.000 0.000 0.260 557 G HA3 -0.215 3.746 3.960 0.000 0.000 0.260 557 G C 0.715 175.652 174.900 0.062 0.000 0.977 557 G CA 0.284 45.421 45.100 0.061 0.000 0.641 557 G HN 1.316 nan 8.290 nan 0.000 0.533 558 G N -0.296 108.543 108.800 0.065 0.000 3.189 558 G HA2 0.418 4.379 3.960 0.000 0.000 0.225 558 G HA3 0.418 4.379 3.960 0.000 0.000 0.225 558 G C 0.422 175.337 174.900 0.024 0.000 1.159 558 G CA 1.082 46.231 45.100 0.081 0.000 0.763 558 G HN 1.084 nan 8.290 nan 0.000 0.549 559 D N -0.413 119.968 120.400 -0.031 0.000 2.699 559 D HA -0.159 4.481 4.640 0.000 0.000 0.239 559 D C -0.117 176.090 176.300 -0.155 0.000 1.136 559 D CA 0.353 54.296 54.000 -0.096 0.000 0.668 559 D CB -1.100 39.656 40.800 -0.073 0.000 1.060 559 D HN 0.108 nan 8.370 nan 0.000 0.429 560 I N 1.406 121.846 120.570 -0.216 0.000 2.354 560 I HA 0.337 4.507 4.170 0.000 0.000 0.292 560 I C -0.087 175.771 176.117 -0.431 0.000 0.989 560 I CA -0.729 60.327 61.300 -0.407 0.000 1.188 560 I CB 1.106 38.693 38.000 -0.689 0.000 1.342 560 I HN 0.087 nan 8.210 nan 0.000 0.457 561 Y N 6.087 126.054 120.300 -0.556 0.000 2.350 561 Y HA 0.469 5.019 4.550 0.000 0.000 0.338 561 Y C -0.449 175.175 175.900 -0.459 0.000 0.961 561 Y CA -0.331 57.479 58.100 -0.484 0.000 1.100 561 Y CB 1.184 39.449 38.460 -0.324 0.000 1.179 561 Y HN 0.626 nan 8.280 nan 0.000 0.454 562 H N 0.000 118.513 119.070 -0.929 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.628 56.048 -0.700 0.000 1.023 562 H CB 0.000 29.243 29.762 -0.865 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496