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 2oge_1_B DATA FIRST_RESID 8 DATA SEQUENCE PRVPFLDLKA AYEELRAETD AAIARVLDSG RYLLGPELEG FEAEFAAYCE DATA SEQUENCE TDHAVGVNSG MDALQLALRG LGIGPGDEVI VPSHTYIASW LAVSATGATP DATA SEQUENCE VPVEPHEDHP TLDPLLVEKA ITPRTRALLP VHLYGHPADM DALRELADRH DATA SEQUENCE GLHIVEDAAQ AHGARYRGRR IGAGSSVAAF SFYPGXNLGC FGDGGAVVTG DATA SEQUENCE DPELAERLRM LRNYGSRQKY SHETKGTNSR LDEMQAAVLR IRLAHLDSWN DATA SEQUENCE GRRSALAAEY LSGLAGLPGI GLPVTAPDTD PVWHLFTVRT ERRDELRSHL DATA SEQUENCE DARGIDTLTH YPVPVHLSPA YAGEAPPEGS LPRAESFARQ VLSLPIGPHL DATA SEQUENCE ERPQALRVID AVREWAERV 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.296 177.300 -0.006 0.000 1.155 8 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 8 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 9 R N 0.135 120.634 120.500 -0.002 0.000 2.726 9 R HA 0.546 4.888 4.340 0.003 0.000 0.272 9 R C -0.057 176.246 176.300 0.006 0.000 1.097 9 R CA -0.723 55.377 56.100 0.000 0.000 1.198 9 R CB 0.494 30.797 30.300 0.005 0.000 1.114 9 R HN 0.158 nan 8.270 nan 0.000 0.550 10 V N 3.741 123.662 119.914 0.012 0.000 2.348 10 V HA 0.199 4.321 4.120 0.003 0.000 0.270 10 V C -1.883 174.239 176.094 0.046 0.000 1.037 10 V CA -1.819 60.493 62.300 0.019 0.000 0.872 10 V CB 0.962 32.795 31.823 0.018 0.000 1.002 10 V HN 0.677 nan 8.190 nan 0.000 0.464 11 P HA 0.150 nan 4.420 nan 0.000 0.277 11 P C 0.512 177.881 177.300 0.115 0.000 1.240 11 P CA -0.340 62.810 63.100 0.083 0.000 0.798 11 P CB 1.026 32.760 31.700 0.057 0.000 0.979 12 F N 2.581 122.544 119.950 0.022 0.000 2.113 12 F HA 0.093 4.621 4.527 0.002 0.000 0.297 12 F C 0.606 176.429 175.800 0.038 0.000 1.103 12 F CA 1.356 59.375 58.000 0.031 0.000 1.248 12 F CB 0.095 39.118 39.000 0.039 0.000 0.999 12 F HN 0.176 nan 8.300 nan 0.000 0.475 13 L N 0.862 122.110 121.223 0.041 0.000 2.845 13 L HA 0.240 4.582 4.340 0.003 0.000 0.253 13 L C -1.543 175.366 176.870 0.065 0.000 0.959 13 L CA -0.525 54.298 54.840 -0.027 0.000 1.001 13 L CB 0.478 42.535 42.059 -0.003 0.000 1.374 13 L HN -0.138 nan 8.230 nan 0.000 0.469 14 D N 4.663 125.083 120.400 0.033 0.000 2.383 14 D HA 0.177 4.819 4.640 0.003 0.000 0.245 14 D C 1.179 177.495 176.300 0.027 0.000 1.263 14 D CA 0.103 54.121 54.000 0.030 0.000 0.936 14 D CB 0.747 41.544 40.800 -0.004 0.000 1.053 14 D HN 0.650 nan 8.370 nan 0.000 0.507 15 L N 3.270 124.529 121.223 0.058 0.000 2.056 15 L HA -0.168 4.174 4.340 0.003 0.000 0.207 15 L C 2.292 179.211 176.870 0.082 0.000 1.078 15 L CA 0.828 55.713 54.840 0.075 0.000 0.749 15 L CB -0.366 41.745 42.059 0.087 0.000 0.901 15 L HN 0.302 nan 8.230 nan 0.000 0.433 16 K N 1.161 121.602 120.400 0.068 0.000 2.074 16 K HA -0.181 4.140 4.320 0.003 0.000 0.209 16 K C 2.020 178.623 176.600 0.004 0.000 1.048 16 K CA 1.691 58.031 56.287 0.089 0.000 0.926 16 K CB -0.355 32.183 32.500 0.064 0.000 0.713 16 K HN 0.218 nan 8.250 nan 0.000 0.444 17 A N 0.439 123.168 122.820 -0.153 0.000 1.978 17 A HA -0.085 4.236 4.320 0.003 0.000 0.220 17 A C 2.359 179.523 177.584 -0.699 0.000 1.170 17 A CA 2.017 53.796 52.037 -0.430 0.000 0.636 17 A CB -1.004 17.678 19.000 -0.530 0.000 0.810 17 A HN 0.482 nan 8.150 nan 0.000 0.448 18 A N -1.458 121.093 122.820 -0.449 0.000 1.930 18 A HA -0.046 4.275 4.320 0.003 0.000 0.217 18 A C 2.119 179.829 177.584 0.209 0.000 1.175 18 A CA 1.633 53.614 52.037 -0.093 0.000 0.627 18 A CB -0.684 18.461 19.000 0.243 0.000 0.815 18 A HN 0.757 nan 8.150 nan 0.000 0.443 19 Y N 0.701 121.060 120.300 0.100 0.000 2.153 19 Y HA -0.103 4.448 4.550 0.002 0.000 0.289 19 Y C 2.215 178.157 175.900 0.070 0.000 1.127 19 Y CA 2.027 60.248 58.100 0.200 0.000 1.131 19 Y CB -0.732 37.868 38.460 0.235 0.000 0.995 19 Y HN 0.384 nan 8.280 nan 0.000 0.505 20 E N 0.796 120.844 120.200 -0.253 0.000 2.049 20 E HA -0.294 4.057 4.350 0.003 0.000 0.198 20 E C 2.263 178.723 176.600 -0.232 0.000 1.007 20 E CA 2.005 58.189 56.400 -0.359 0.000 0.809 20 E CB -0.502 29.063 29.700 -0.224 0.000 0.749 20 E HN 0.663 nan 8.360 nan 0.000 0.450 21 E N -0.567 119.551 120.200 -0.136 0.000 2.171 21 E HA -0.188 4.163 4.350 0.003 0.000 0.197 21 E C 0.829 177.437 176.600 0.013 0.000 0.997 21 E CA 1.308 57.702 56.400 -0.010 0.000 0.810 21 E CB -0.003 29.779 29.700 0.136 0.000 0.738 21 E HN 0.356 nan 8.360 nan 0.000 0.467 22 L N 0.096 121.318 121.223 -0.003 0.000 3.202 22 L HA 0.299 4.640 4.340 0.003 0.000 0.278 22 L C 1.661 178.507 176.870 -0.041 0.000 1.268 22 L CA -0.410 54.419 54.840 -0.019 0.000 1.034 22 L CB 0.276 42.312 42.059 -0.038 0.000 1.407 22 L HN -0.014 nan 8.230 nan 0.000 0.581 23 R N 1.713 122.094 120.500 -0.199 0.000 2.136 23 R HA -0.297 4.044 4.340 0.003 0.000 0.242 23 R C 2.176 178.423 176.300 -0.089 0.000 1.131 23 R CA 2.410 58.292 56.100 -0.362 0.000 0.937 23 R CB -0.150 29.824 30.300 -0.544 0.000 0.863 23 R HN 0.440 nan 8.270 nan 0.000 0.435 24 A N 1.029 123.815 122.820 -0.058 0.000 1.851 24 A HA -0.217 4.105 4.320 0.003 0.000 0.216 24 A C 1.985 179.587 177.584 0.031 0.000 1.195 24 A CA 1.908 53.941 52.037 -0.005 0.000 0.622 24 A CB -0.651 18.345 19.000 -0.008 0.000 0.831 24 A HN 0.662 nan 8.150 nan 0.000 0.444 25 E N -0.732 119.488 120.200 0.033 0.000 2.118 25 E HA -0.146 4.206 4.350 0.003 0.000 0.195 25 E C 2.027 178.671 176.600 0.074 0.000 0.992 25 E CA 1.544 57.973 56.400 0.048 0.000 0.804 25 E CB -0.571 29.157 29.700 0.046 0.000 0.741 25 E HN 0.584 nan 8.360 nan 0.000 0.458 26 T N 1.466 116.089 114.554 0.114 0.000 2.708 26 T HA -0.157 4.195 4.350 0.003 0.000 0.266 26 T C 1.368 176.169 174.700 0.169 0.000 1.037 26 T CA 1.587 63.804 62.100 0.195 0.000 1.146 26 T CB -0.374 68.724 68.868 0.384 0.000 0.865 26 T HN 0.100 nan 8.240 nan 0.000 0.435 27 D N 1.239 121.740 120.400 0.168 0.000 2.133 27 D HA -0.071 4.571 4.640 0.003 0.000 0.195 27 D C 2.287 178.625 176.300 0.064 0.000 0.997 27 D CA 1.369 55.437 54.000 0.113 0.000 0.840 27 D CB -0.460 40.400 40.800 0.100 0.000 0.947 27 D HN 0.421 nan 8.370 nan 0.000 0.452 28 A N 0.683 123.538 122.820 0.058 0.000 1.930 28 A HA 0.039 4.361 4.320 0.003 0.000 0.217 28 A C 2.292 179.901 177.584 0.043 0.000 1.175 28 A CA 1.993 54.056 52.037 0.043 0.000 0.627 28 A CB -0.647 18.376 19.000 0.037 0.000 0.815 28 A HN 0.229 nan 8.150 nan 0.000 0.443 29 A N 0.230 123.081 122.820 0.051 0.000 1.858 29 A HA -0.119 4.203 4.320 0.003 0.000 0.216 29 A C 2.106 179.718 177.584 0.046 0.000 1.190 29 A CA 1.630 53.695 52.037 0.045 0.000 0.617 29 A CB -0.677 18.351 19.000 0.047 0.000 0.827 29 A HN 0.483 nan 8.150 nan 0.000 0.443 30 I N -0.118 120.482 120.570 0.049 0.000 2.163 30 I HA -0.301 3.870 4.170 0.003 0.000 0.243 30 I C 2.986 179.125 176.117 0.037 0.000 1.085 30 I CA 1.154 62.475 61.300 0.035 0.000 1.347 30 I CB -0.386 37.618 38.000 0.006 0.000 1.044 30 I HN 0.355 nan 8.210 nan 0.000 0.408 31 A N 0.780 123.620 122.820 0.033 0.000 1.908 31 A HA -0.286 4.035 4.320 0.003 0.000 0.218 31 A C 2.449 180.060 177.584 0.046 0.000 1.181 31 A CA 2.115 54.172 52.037 0.033 0.000 0.627 31 A CB -0.757 18.259 19.000 0.027 0.000 0.818 31 A HN 0.405 nan 8.150 nan 0.000 0.445 32 R N -0.374 120.152 120.500 0.044 0.000 2.083 32 R HA -0.129 4.213 4.340 0.003 0.000 0.237 32 R C 1.956 178.291 176.300 0.059 0.000 1.137 32 R CA 2.063 58.188 56.100 0.042 0.000 0.951 32 R CB -0.560 29.760 30.300 0.033 0.000 0.851 32 R HN 0.291 nan 8.270 nan 0.000 0.434 33 V N 1.725 121.685 119.914 0.077 0.000 2.287 33 V HA -0.283 3.838 4.120 0.003 0.000 0.248 33 V C 2.490 178.729 176.094 0.243 0.000 1.053 33 V CA 1.987 64.364 62.300 0.127 0.000 1.027 33 V CB -0.514 31.390 31.823 0.135 0.000 0.646 33 V HN 0.348 nan 8.190 nan 0.000 0.447 34 L N -0.170 121.177 121.223 0.207 0.000 1.990 34 L HA -0.274 4.068 4.340 0.003 0.000 0.213 34 L C 2.299 179.319 176.870 0.249 0.000 1.072 34 L CA 2.218 57.207 54.840 0.247 0.000 0.755 34 L CB -0.889 41.220 42.059 0.082 0.000 0.889 34 L HN 0.334 nan 8.230 nan 0.000 0.432 35 D N -0.405 120.072 120.400 0.128 0.000 2.178 35 D HA -0.161 4.480 4.640 0.003 0.000 0.201 35 D C 2.351 178.680 176.300 0.047 0.000 0.980 35 D CA 1.384 55.432 54.000 0.081 0.000 0.842 35 D CB 0.021 40.849 40.800 0.047 0.000 0.948 35 D HN 0.334 nan 8.370 nan 0.000 0.472 36 S N -0.751 114.963 115.700 0.023 0.000 2.419 36 S HA -0.076 4.395 4.470 0.003 0.000 0.235 36 S C 2.036 176.539 174.600 -0.162 0.000 1.019 36 S CA 1.261 59.425 58.200 -0.060 0.000 0.982 36 S CB -0.544 62.608 63.200 -0.081 0.000 0.789 36 S HN 0.382 nan 8.310 nan 0.000 0.490 37 G N 0.737 109.383 108.800 -0.257 0.000 2.168 37 G HA2 -0.322 3.640 3.960 0.003 0.000 0.263 37 G HA3 -0.322 3.640 3.960 0.003 0.000 0.263 37 G C 0.100 174.518 174.900 -0.804 0.000 0.977 37 G CA 0.399 45.245 45.100 -0.423 0.000 0.659 37 G HN 0.874 nan 8.290 nan 0.000 0.533 38 R N -0.576 119.397 120.500 -0.879 0.000 2.388 38 R HA 0.666 5.007 4.340 0.003 0.000 0.314 38 R C 0.536 176.467 176.300 -0.614 0.000 0.959 38 R CA -0.842 54.902 56.100 -0.594 0.000 0.851 38 R CB 0.391 30.537 30.300 -0.257 0.000 1.168 38 R HN 0.235 nan 8.270 nan 0.000 0.472 39 Y N 3.424 123.733 120.300 0.014 0.000 2.462 39 Y HA 0.349 4.901 4.550 0.004 0.000 0.253 39 Y C 0.089 176.001 175.900 0.020 0.000 1.095 39 Y CA -0.394 57.715 58.100 0.015 0.000 1.283 39 Y CB 0.833 39.301 38.460 0.013 0.000 1.138 39 Y HN 0.151 nan 8.280 nan 0.000 0.522 40 L N 0.146 121.428 121.223 0.098 0.000 2.422 40 L HA 0.384 4.726 4.340 0.003 0.000 0.264 40 L C -0.543 176.356 176.870 0.048 0.000 0.984 40 L CA -1.110 53.779 54.840 0.082 0.000 0.819 40 L CB 2.500 44.615 42.059 0.093 0.000 1.330 40 L HN 0.001 nan 8.230 nan 0.000 0.410 41 L N 1.513 122.769 121.223 0.054 0.000 3.677 41 L HA -0.245 4.096 4.340 0.003 0.000 0.464 41 L C 0.491 177.377 176.870 0.027 0.000 1.278 41 L CA 0.488 55.355 54.840 0.046 0.000 0.806 41 L CB -1.796 40.288 42.059 0.042 0.000 1.610 41 L HN 0.926 nan 8.230 nan 0.000 0.867 42 G N -0.571 108.245 108.800 0.027 0.000 3.107 42 G HA2 0.656 4.617 3.960 0.003 0.000 0.232 42 G HA3 0.656 4.617 3.960 0.003 0.000 0.232 42 G C -1.870 173.044 174.900 0.023 0.000 1.339 42 G CA -0.044 45.062 45.100 0.009 0.000 1.033 42 G HN 0.061 nan 8.290 nan 0.000 0.567 43 P HA -0.032 nan 4.420 nan 0.000 0.216 43 P C 1.408 178.732 177.300 0.041 0.000 1.153 43 P CA 1.059 64.172 63.100 0.022 0.000 0.848 43 P CB 0.223 31.929 31.700 0.010 0.000 0.787 44 E N -0.110 120.115 120.200 0.041 0.000 2.051 44 E HA -0.165 4.187 4.350 0.003 0.000 0.192 44 E C 2.102 178.759 176.600 0.094 0.000 0.991 44 E CA 0.835 57.267 56.400 0.055 0.000 0.799 44 E CB -1.243 28.478 29.700 0.034 0.000 0.748 44 E HN 0.194 nan 8.360 nan 0.000 0.449 45 L N 1.757 123.034 121.223 0.089 0.000 2.017 45 L HA -0.166 4.176 4.340 0.003 0.000 0.208 45 L C 2.096 179.055 176.870 0.150 0.000 1.073 45 L CA 1.874 56.794 54.840 0.134 0.000 0.745 45 L CB -0.399 41.724 42.059 0.108 0.000 0.894 45 L HN 0.031 nan 8.230 nan 0.000 0.432 46 E N -0.512 119.747 120.200 0.098 0.000 2.085 46 E HA -0.201 4.151 4.350 0.003 0.000 0.194 46 E C 2.022 178.665 176.600 0.072 0.000 0.994 46 E CA 1.112 57.559 56.400 0.079 0.000 0.801 46 E CB -0.510 29.222 29.700 0.053 0.000 0.743 46 E HN 0.722 nan 8.360 nan 0.000 0.453 47 G N 0.905 109.751 108.800 0.076 0.000 2.433 47 G HA2 -0.283 3.679 3.960 0.003 0.000 0.216 47 G HA3 -0.283 3.679 3.960 0.003 0.000 0.216 47 G C 1.367 176.314 174.900 0.078 0.000 1.186 47 G CA 0.583 45.722 45.100 0.064 0.000 0.779 47 G HN 0.253 nan 8.290 nan 0.000 0.543 48 F N 1.692 121.636 119.950 -0.011 0.000 2.095 48 F HA -0.067 4.461 4.527 0.002 0.000 0.298 48 F C 2.625 178.448 175.800 0.039 0.000 1.104 48 F CA 2.181 60.161 58.000 -0.033 0.000 1.232 48 F CB -0.309 38.627 39.000 -0.107 0.000 0.987 48 F HN 0.270 nan 8.300 nan 0.000 0.475 49 E N 0.178 120.354 120.200 -0.040 0.000 2.085 49 E HA -0.238 4.114 4.350 0.003 0.000 0.194 49 E C 2.392 178.940 176.600 -0.088 0.000 0.994 49 E CA 1.197 57.557 56.400 -0.066 0.000 0.801 49 E CB -0.482 29.271 29.700 0.088 0.000 0.743 49 E HN 0.523 nan 8.360 nan 0.000 0.453 50 A N 1.278 124.070 122.820 -0.048 0.000 1.883 50 A HA -0.273 4.048 4.320 0.003 0.000 0.217 50 A C 1.946 179.482 177.584 -0.081 0.000 1.186 50 A CA 1.800 53.810 52.037 -0.045 0.000 0.624 50 A CB -0.526 18.462 19.000 -0.018 0.000 0.822 50 A HN 0.179 nan 8.150 nan 0.000 0.444 51 E N -1.502 118.634 120.200 -0.106 0.000 2.077 51 E HA -0.178 4.174 4.350 0.003 0.000 0.193 51 E C 1.772 178.304 176.600 -0.113 0.000 0.989 51 E CA 1.369 57.710 56.400 -0.099 0.000 0.800 51 E CB -0.283 29.371 29.700 -0.076 0.000 0.746 51 E HN 0.635 nan 8.360 nan 0.000 0.452 52 F N 1.253 120.901 119.950 -0.503 0.000 2.134 52 F HA -0.132 4.397 4.527 0.002 0.000 0.299 52 F C 2.185 177.882 175.800 -0.171 0.000 1.097 52 F CA 1.258 58.976 58.000 -0.470 0.000 1.264 52 F CB -0.554 37.889 39.000 -0.927 0.000 1.001 52 F HN -0.036 nan 8.300 nan 0.000 0.479 53 A N 0.270 122.976 122.820 -0.189 0.000 1.883 53 A HA -0.111 4.211 4.320 0.003 0.000 0.217 53 A C 2.459 179.935 177.584 -0.179 0.000 1.186 53 A CA 2.110 54.040 52.037 -0.180 0.000 0.624 53 A CB -1.590 17.357 19.000 -0.089 0.000 0.822 53 A HN 0.468 nan 8.150 nan 0.000 0.444 54 A N -1.422 121.323 122.820 -0.125 0.000 1.865 54 A HA -0.165 4.157 4.320 0.003 0.000 0.217 54 A C 2.159 179.686 177.584 -0.096 0.000 1.191 54 A CA 1.792 53.772 52.037 -0.095 0.000 0.623 54 A CB -1.027 17.938 19.000 -0.057 0.000 0.826 54 A HN 0.774 nan 8.150 nan 0.000 0.444 55 Y N 0.338 120.509 120.300 -0.216 0.000 2.151 55 Y HA -0.310 4.242 4.550 0.003 0.000 0.284 55 Y C 2.304 178.050 175.900 -0.256 0.000 1.166 55 Y CA 1.793 59.768 58.100 -0.209 0.000 1.163 55 Y CB -0.633 37.708 38.460 -0.198 0.000 0.974 55 Y HN 0.363 nan 8.280 nan 0.000 0.511 56 C N 1.377 120.489 119.300 -0.314 0.000 2.539 56 C HA 0.027 4.488 4.460 0.003 0.000 0.271 56 C C 0.531 175.389 174.990 -0.221 0.000 1.412 56 C CA 0.769 59.585 59.018 -0.337 0.000 1.729 56 C CB -1.990 25.495 27.740 -0.423 0.000 1.739 56 C HN 0.643 nan 8.230 nan 0.000 0.570 57 E N 0.323 120.403 120.200 -0.200 0.000 2.340 57 E HA -0.203 4.148 4.350 0.003 0.000 0.240 57 E C 0.129 176.666 176.600 -0.106 0.000 1.154 57 E CA 0.680 56.995 56.400 -0.140 0.000 0.717 57 E CB -1.700 27.924 29.700 -0.127 0.000 1.250 57 E HN 0.637 nan 8.360 nan 0.000 0.386 58 T N -1.866 112.619 114.554 -0.115 0.000 2.778 58 T HA 0.242 4.593 4.350 0.003 0.000 0.293 58 T C -0.090 174.528 174.700 -0.138 0.000 1.144 58 T CA -0.478 61.567 62.100 -0.092 0.000 1.010 58 T CB 1.678 70.520 68.868 -0.044 0.000 1.325 58 T HN 0.037 nan 8.240 nan 0.000 0.515 59 D N -0.236 120.051 120.400 -0.189 0.000 2.277 59 D HA 0.100 4.741 4.640 0.003 0.000 0.209 59 D C 0.104 176.051 176.300 -0.589 0.000 0.970 59 D CA 0.865 54.599 54.000 -0.443 0.000 0.874 59 D CB 0.244 40.646 40.800 -0.663 0.000 0.982 59 D HN 0.482 nan 8.370 nan 0.000 0.504 60 H N -0.725 118.349 119.070 0.007 0.000 2.851 60 H HA 0.640 5.197 4.556 0.002 0.000 0.372 60 H C -0.915 174.446 175.328 0.054 0.000 1.158 60 H CA -0.787 55.277 56.048 0.026 0.000 1.159 60 H CB 2.293 32.075 29.762 0.034 0.000 1.757 60 H HN -0.116 nan 8.280 nan 0.000 0.546 61 A N 1.973 124.913 122.820 0.201 0.000 2.374 61 A HA 0.546 4.868 4.320 0.003 0.000 0.305 61 A C -0.864 176.850 177.584 0.217 0.000 1.053 61 A CA -0.640 51.532 52.037 0.224 0.000 0.726 61 A CB 1.290 20.428 19.000 0.229 0.000 1.229 61 A HN 0.342 nan 8.150 nan 0.000 0.431 62 V N 2.737 122.789 119.914 0.229 0.000 2.304 62 V HA 0.517 4.639 4.120 0.003 0.000 0.278 62 V C 0.941 177.171 176.094 0.226 0.000 1.018 62 V CA -0.258 62.153 62.300 0.186 0.000 0.814 62 V CB 1.150 33.048 31.823 0.126 0.000 1.021 62 V HN 1.130 nan 8.190 nan 0.000 0.440 63 G N 3.824 112.774 108.800 0.249 0.000 2.378 63 G HA2 0.516 4.477 3.960 0.003 0.000 0.255 63 G HA3 0.516 4.477 3.960 0.003 0.000 0.255 63 G C -0.154 174.859 174.900 0.189 0.000 1.270 63 G CA 0.246 45.519 45.100 0.289 0.000 0.876 63 G HN 0.928 nan 8.290 nan 0.000 0.521 64 V N 0.446 120.464 119.914 0.173 0.000 3.105 64 V HA 0.566 4.687 4.120 0.003 0.000 0.311 64 V C 1.154 177.306 176.094 0.098 0.000 1.282 64 V CA -0.764 61.599 62.300 0.105 0.000 1.065 64 V CB 1.523 33.388 31.823 0.070 0.000 1.136 64 V HN 0.511 nan 8.190 nan 0.000 0.469 65 N N 0.478 119.216 118.700 0.064 0.000 2.270 65 N HA 0.072 4.813 4.740 0.003 0.000 0.181 65 N C 0.438 175.989 175.510 0.068 0.000 1.016 65 N CA 1.242 54.330 53.050 0.063 0.000 0.870 65 N CB 0.109 38.622 38.487 0.043 0.000 0.979 65 N HN 1.141 nan 8.380 nan 0.000 0.431 66 S N -4.102 111.626 115.700 0.047 0.000 2.611 66 S HA 0.514 4.986 4.470 0.003 0.000 0.268 66 S C 0.881 175.480 174.600 -0.001 0.000 1.156 66 S CA -0.505 57.720 58.200 0.041 0.000 0.817 66 S CB 0.827 64.062 63.200 0.058 0.000 1.122 66 S HN 0.039 nan 8.310 nan 0.000 0.466 67 G N 0.557 109.351 108.800 -0.010 0.000 2.408 67 G HA2 -0.128 3.834 3.960 0.003 0.000 0.217 67 G HA3 -0.128 3.834 3.960 0.003 0.000 0.217 67 G C 1.174 176.063 174.900 -0.018 0.000 1.150 67 G CA 1.049 46.127 45.100 -0.038 0.000 0.776 67 G HN 0.782 nan 8.290 nan 0.000 0.542 68 M N 0.606 120.210 119.600 0.006 0.000 2.117 68 M HA -0.022 4.460 4.480 0.003 0.000 0.262 68 M C 1.833 178.129 176.300 -0.007 0.000 1.065 68 M CA 1.970 57.270 55.300 -0.000 0.000 1.114 68 M CB -0.107 32.496 32.600 0.006 0.000 1.361 68 M HN 0.013 nan 8.290 nan 0.000 0.408 69 D N 0.664 121.064 120.400 -0.000 0.000 2.144 69 D HA -0.087 4.554 4.640 0.003 0.000 0.199 69 D C 2.064 178.360 176.300 -0.006 0.000 0.984 69 D CA 1.668 55.666 54.000 -0.003 0.000 0.834 69 D CB -0.357 40.445 40.800 0.004 0.000 0.955 69 D HN 0.548 nan 8.370 nan 0.000 0.465 70 A N 0.567 123.383 122.820 -0.007 0.000 1.883 70 A HA -0.159 4.163 4.320 0.003 0.000 0.217 70 A C 2.379 179.950 177.584 -0.022 0.000 1.186 70 A CA 1.059 53.094 52.037 -0.003 0.000 0.624 70 A CB -0.846 18.148 19.000 -0.009 0.000 0.822 70 A HN 0.223 nan 8.150 nan 0.000 0.444 71 L N -1.062 120.137 121.223 -0.039 0.000 2.017 71 L HA -0.247 4.094 4.340 0.003 0.000 0.208 71 L C 2.973 179.818 176.870 -0.042 0.000 1.073 71 L CA 1.923 56.732 54.840 -0.052 0.000 0.745 71 L CB -0.507 41.520 42.059 -0.055 0.000 0.894 71 L HN 0.594 nan 8.230 nan 0.000 0.432 72 Q N 0.224 120.006 119.800 -0.030 0.000 2.050 72 Q HA -0.215 4.127 4.340 0.003 0.000 0.202 72 Q C 2.363 178.346 176.000 -0.028 0.000 0.980 72 Q CA 1.530 57.317 55.803 -0.026 0.000 0.840 72 Q CB -0.040 28.688 28.738 -0.018 0.000 0.898 72 Q HN 0.514 nan 8.270 nan 0.000 0.424 73 L N 0.078 121.287 121.223 -0.023 0.000 2.141 73 L HA -0.146 4.196 4.340 0.003 0.000 0.209 73 L C 2.562 179.413 176.870 -0.031 0.000 1.094 73 L CA 0.814 55.641 54.840 -0.022 0.000 0.763 73 L CB -0.643 41.409 42.059 -0.011 0.000 0.908 73 L HN 0.283 nan 8.230 nan 0.000 0.437 74 A N 0.577 123.376 122.820 -0.035 0.000 1.877 74 A HA -0.177 4.144 4.320 0.003 0.000 0.216 74 A C 2.242 179.779 177.584 -0.079 0.000 1.186 74 A CA 1.446 53.453 52.037 -0.051 0.000 0.620 74 A CB -0.697 18.273 19.000 -0.050 0.000 0.822 74 A HN 0.327 nan 8.150 nan 0.000 0.443 75 L N -1.166 120.015 121.223 -0.071 0.000 2.012 75 L HA -0.203 4.139 4.340 0.003 0.000 0.210 75 L C 2.792 179.618 176.870 -0.073 0.000 1.073 75 L CA 1.964 56.758 54.840 -0.077 0.000 0.748 75 L CB -0.511 41.513 42.059 -0.057 0.000 0.891 75 L HN 0.419 nan 8.230 nan 0.000 0.431 76 R N 0.176 120.645 120.500 -0.052 0.000 2.091 76 R HA -0.160 4.181 4.340 0.003 0.000 0.238 76 R C 2.266 178.536 176.300 -0.050 0.000 1.136 76 R CA 1.555 57.630 56.100 -0.041 0.000 0.959 76 R CB -0.578 29.705 30.300 -0.029 0.000 0.856 76 R HN 0.431 nan 8.270 nan 0.000 0.437 77 G N 0.360 109.124 108.800 -0.060 0.000 2.448 77 G HA2 -0.186 3.776 3.960 0.003 0.000 0.219 77 G HA3 -0.186 3.776 3.960 0.003 0.000 0.219 77 G C 1.200 176.039 174.900 -0.102 0.000 1.127 77 G CA 0.436 45.497 45.100 -0.066 0.000 0.766 77 G HN 0.276 nan 8.290 nan 0.000 0.552 78 L N 0.367 121.497 121.223 -0.155 0.000 2.611 78 L HA 0.286 4.628 4.340 0.003 0.000 0.229 78 L C 1.920 178.706 176.870 -0.140 0.000 1.137 78 L CA 0.316 54.992 54.840 -0.273 0.000 0.901 78 L CB 0.047 41.770 42.059 -0.560 0.000 1.098 78 L HN 0.325 nan 8.230 nan 0.000 0.456 79 G N 0.856 109.616 108.800 -0.068 0.000 2.148 79 G HA2 -0.299 3.663 3.960 0.003 0.000 0.254 79 G HA3 -0.299 3.663 3.960 0.003 0.000 0.254 79 G C 0.216 175.113 174.900 -0.005 0.000 0.981 79 G CA -0.134 44.955 45.100 -0.018 0.000 0.670 79 G HN 0.304 nan 8.290 nan 0.000 0.528 80 I N 0.962 121.519 120.570 -0.021 0.000 2.529 80 I HA 0.554 4.725 4.170 0.003 0.000 0.284 80 I C 1.211 177.321 176.117 -0.012 0.000 1.082 80 I CA 1.293 62.588 61.300 -0.008 0.000 1.406 80 I CB 1.212 39.203 38.000 -0.014 0.000 1.405 80 I HN 0.365 nan 8.210 nan 0.000 0.548 81 G N 5.928 114.723 108.800 -0.008 0.000 2.529 81 G HA2 0.327 4.288 3.960 0.003 0.000 0.238 81 G HA3 0.327 4.288 3.960 0.003 0.000 0.238 81 G C -3.101 171.794 174.900 -0.008 0.000 1.207 81 G CA -0.677 44.418 45.100 -0.009 0.000 0.928 81 G HN 0.255 nan 8.290 nan 0.000 0.495 82 P HA 0.274 nan 4.420 nan 0.000 0.262 82 P C 0.929 178.225 177.300 -0.006 0.000 1.182 82 P CA 2.100 65.197 63.100 -0.005 0.000 0.761 82 P CB 0.693 32.392 31.700 -0.002 0.000 0.795 83 G N 1.728 110.523 108.800 -0.008 0.000 2.199 83 G HA2 -0.180 3.782 3.960 0.003 0.000 0.254 83 G HA3 -0.180 3.782 3.960 0.003 0.000 0.254 83 G C -0.158 174.733 174.900 -0.014 0.000 0.982 83 G CA -0.190 44.904 45.100 -0.010 0.000 0.632 83 G HN 0.517 nan 8.290 nan 0.000 0.529 84 D N 0.683 121.073 120.400 -0.016 0.000 2.217 84 D HA 0.603 5.244 4.640 0.003 0.000 0.248 84 D C 0.231 176.508 176.300 -0.038 0.000 1.008 84 D CA -0.180 53.807 54.000 -0.022 0.000 0.914 84 D CB 1.278 42.070 40.800 -0.013 0.000 1.182 84 D HN 0.443 nan 8.370 nan 0.000 0.451 85 E N 0.043 120.213 120.200 -0.050 0.000 2.212 85 E HA 0.558 4.910 4.350 0.003 0.000 0.268 85 E C -1.087 175.457 176.600 -0.093 0.000 0.902 85 E CA -0.920 55.433 56.400 -0.079 0.000 0.779 85 E CB 2.448 32.096 29.700 -0.085 0.000 1.172 85 E HN 0.019 nan 8.360 nan 0.000 0.409 86 V N 4.148 123.983 119.914 -0.132 0.000 2.525 86 V HA 0.296 4.418 4.120 0.003 0.000 0.299 86 V C -0.252 175.709 176.094 -0.221 0.000 1.034 86 V CA -0.646 61.565 62.300 -0.148 0.000 0.863 86 V CB 1.494 33.237 31.823 -0.134 0.000 0.999 86 V HN 0.653 nan 8.190 nan 0.000 0.423 87 I N 6.077 126.524 120.570 -0.204 0.000 2.505 87 I HA 0.246 4.418 4.170 0.003 0.000 0.287 87 I C 0.241 176.194 176.117 -0.272 0.000 1.104 87 I CA 0.267 61.423 61.300 -0.241 0.000 1.387 87 I CB 0.939 38.822 38.000 -0.195 0.000 1.404 87 I HN 0.567 nan 8.210 nan 0.000 0.528 88 V N 5.410 125.097 119.914 -0.379 0.000 3.103 88 V HA 0.720 4.842 4.120 0.003 0.000 0.318 88 V C -2.771 173.161 176.094 -0.270 0.000 1.114 88 V CA -2.614 59.459 62.300 -0.379 0.000 1.020 88 V CB 1.583 33.015 31.823 -0.651 0.000 1.085 88 V HN 0.389 nan 8.190 nan 0.000 0.446 89 P HA 0.314 nan 4.420 nan 0.000 0.282 89 P C 0.666 178.040 177.300 0.123 0.000 1.249 89 P CA -0.097 62.975 63.100 -0.046 0.000 0.806 89 P CB 1.446 33.111 31.700 -0.058 0.000 0.984 90 S N 1.033 116.800 115.700 0.112 0.000 2.453 90 S HA -0.133 4.338 4.470 0.003 0.000 0.231 90 S C 0.692 175.427 174.600 0.226 0.000 1.005 90 S CA 0.892 59.230 58.200 0.231 0.000 0.949 90 S CB -0.903 62.345 63.200 0.080 0.000 0.774 90 S HN 0.598 nan 8.310 nan 0.000 0.510 91 H N 0.749 119.829 119.070 0.018 0.000 2.661 91 H HA 0.675 5.232 4.556 0.003 0.000 0.290 91 H C -0.310 174.966 175.328 -0.086 0.000 1.082 91 H CA 0.374 56.381 56.048 -0.070 0.000 1.234 91 H CB 0.746 30.335 29.762 -0.288 0.000 1.387 91 H HN 0.232 nan 8.280 nan 0.000 0.476 92 T N 3.254 117.602 114.554 -0.344 0.000 2.663 92 T HA 0.122 4.474 4.350 0.003 0.000 0.305 92 T C -1.968 172.555 174.700 -0.297 0.000 1.660 92 T CA -0.738 61.177 62.100 -0.308 0.000 0.976 92 T CB -0.067 68.722 68.868 -0.131 0.000 1.705 92 T HN 0.366 nan 8.240 nan 0.000 0.494 93 Y N 2.198 122.228 120.300 -0.449 0.000 2.319 93 Y HA 0.473 5.024 4.550 0.002 0.000 0.328 93 Y C 1.557 177.183 175.900 -0.456 0.000 1.133 93 Y CA -0.735 56.911 58.100 -0.758 0.000 1.265 93 Y CB 0.386 38.513 38.460 -0.555 0.000 1.218 93 Y HN 0.707 nan 8.280 nan 0.000 0.508 94 I N 4.632 124.632 120.570 -0.951 0.000 2.229 94 I HA -0.393 3.778 4.170 0.003 0.000 0.250 94 I C 2.025 177.788 176.117 -0.589 0.000 1.096 94 I CA 2.168 63.001 61.300 -0.779 0.000 1.358 94 I CB -0.233 37.389 38.000 -0.629 0.000 1.047 94 I HN 0.896 nan 8.210 nan 0.000 0.422 95 A N -0.457 121.843 122.820 -0.867 0.000 1.986 95 A HA -0.248 4.074 4.320 0.003 0.000 0.220 95 A C 2.358 179.864 177.584 -0.130 0.000 1.171 95 A CA 2.211 54.016 52.037 -0.386 0.000 0.640 95 A CB -0.882 17.965 19.000 -0.254 0.000 0.811 95 A HN 0.551 nan 8.150 nan 0.000 0.451 96 S N -1.262 114.380 115.700 -0.096 0.000 2.370 96 S HA -0.207 4.264 4.470 0.003 0.000 0.226 96 S C 1.546 176.212 174.600 0.110 0.000 1.033 96 S CA 1.599 59.809 58.200 0.018 0.000 1.011 96 S CB -0.435 62.788 63.200 0.038 0.000 0.852 96 S HN 0.842 nan 8.310 nan 0.000 0.457 97 W N 1.587 122.766 121.300 -0.201 0.000 2.443 97 W HA 0.275 4.936 4.660 0.002 0.000 0.296 97 W C 1.972 178.481 176.519 -0.016 0.000 1.202 97 W CA -0.406 56.827 57.345 -0.187 0.000 1.312 97 W CB -1.229 27.961 29.460 -0.451 0.000 1.120 97 W HN 0.209 nan 8.180 nan 0.000 0.536 98 L N 0.334 121.709 121.223 0.254 0.000 2.043 98 L HA -0.256 4.086 4.340 0.003 0.000 0.212 98 L C 2.587 179.508 176.870 0.084 0.000 1.075 98 L CA 1.619 56.560 54.840 0.169 0.000 0.752 98 L CB -1.430 40.650 42.059 0.034 0.000 0.891 98 L HN -0.028 nan 8.230 nan 0.000 0.432 99 A N -0.236 122.608 122.820 0.040 0.000 1.908 99 A HA -0.161 4.161 4.320 0.003 0.000 0.218 99 A C 2.330 179.920 177.584 0.009 0.000 1.181 99 A CA 1.999 54.041 52.037 0.008 0.000 0.627 99 A CB -0.809 18.182 19.000 -0.015 0.000 0.818 99 A HN 0.223 nan 8.150 nan 0.000 0.445 100 V N -0.339 119.584 119.914 0.015 0.000 2.307 100 V HA -0.210 3.911 4.120 0.003 0.000 0.245 100 V C 2.770 178.879 176.094 0.024 0.000 1.045 100 V CA 2.269 64.564 62.300 -0.008 0.000 1.024 100 V CB -0.982 30.806 31.823 -0.059 0.000 0.651 100 V HN 0.553 nan 8.190 nan 0.000 0.449 101 S N 0.547 116.299 115.700 0.086 0.000 2.359 101 S HA -0.236 4.236 4.470 0.003 0.000 0.224 101 S C 2.253 176.876 174.600 0.038 0.000 1.035 101 S CA 1.542 59.797 58.200 0.092 0.000 1.018 101 S CB -0.673 62.628 63.200 0.167 0.000 0.876 101 S HN 0.660 nan 8.310 nan 0.000 0.448 102 A N 1.299 124.136 122.820 0.029 0.000 2.042 102 A HA -0.186 4.136 4.320 0.003 0.000 0.222 102 A C 2.357 179.942 177.584 0.000 0.000 1.167 102 A CA 2.239 54.280 52.037 0.007 0.000 0.649 102 A CB -1.278 17.724 19.000 0.002 0.000 0.809 102 A HN 0.679 nan 8.150 nan 0.000 0.457 103 T N -5.043 109.511 114.554 -0.001 0.000 3.067 103 T HA 0.372 4.723 4.350 0.003 0.000 0.261 103 T C 1.495 176.192 174.700 -0.005 0.000 1.110 103 T CA 1.257 63.353 62.100 -0.007 0.000 1.113 103 T CB 0.114 68.973 68.868 -0.015 0.000 0.917 103 T HN 1.716 nan 8.240 nan 0.000 0.499 104 G N 0.811 109.611 108.800 0.000 0.000 2.238 104 G HA2 0.031 3.992 3.960 0.003 0.000 0.217 104 G HA3 0.031 3.992 3.960 0.003 0.000 0.217 104 G C 0.382 175.282 174.900 -0.001 0.000 0.996 104 G CA -0.104 44.996 45.100 0.000 0.000 0.632 104 G HN 1.088 nan 8.290 nan 0.000 0.503 105 A N -0.080 122.737 122.820 -0.006 0.000 2.280 105 A HA 0.768 5.089 4.320 0.003 0.000 0.268 105 A C 0.501 178.076 177.584 -0.014 0.000 1.111 105 A CA 1.034 53.061 52.037 -0.016 0.000 0.814 105 A CB 0.453 19.436 19.000 -0.028 0.000 1.093 105 A HN 0.830 nan 8.150 nan 0.000 0.498 106 T N 2.424 116.956 114.554 -0.037 0.000 2.779 106 T HA 0.570 4.922 4.350 0.003 0.000 0.280 106 T C -2.826 171.797 174.700 -0.129 0.000 0.987 106 T CA -1.032 61.041 62.100 -0.046 0.000 0.966 106 T CB 1.367 70.210 68.868 -0.042 0.000 0.933 106 T HN 0.475 nan 8.240 nan 0.000 0.442 107 P HA 0.351 nan 4.420 nan 0.000 0.281 107 P C -0.957 176.032 177.300 -0.519 0.000 1.252 107 P CA -0.453 62.391 63.100 -0.428 0.000 0.778 107 P CB 0.723 32.022 31.700 -0.668 0.000 0.895 108 V N 5.972 125.586 119.914 -0.499 0.000 2.376 108 V HA 0.309 4.431 4.120 0.003 0.000 0.287 108 V C -2.152 173.655 176.094 -0.478 0.000 1.015 108 V CA -2.121 59.931 62.300 -0.412 0.000 0.834 108 V CB 1.628 33.300 31.823 -0.252 0.000 1.001 108 V HN 0.500 nan 8.190 nan 0.000 0.428 109 P HA 0.343 nan 4.420 nan 0.000 0.280 109 P C -0.823 176.351 177.300 -0.209 0.000 1.244 109 P CA -0.109 62.761 63.100 -0.383 0.000 0.784 109 P CB 1.682 33.253 31.700 -0.215 0.000 0.913 110 V N 3.296 123.108 119.914 -0.170 0.000 2.656 110 V HA 0.217 4.339 4.120 0.003 0.000 0.307 110 V C 0.506 176.547 176.094 -0.088 0.000 1.051 110 V CA -0.806 61.417 62.300 -0.129 0.000 0.893 110 V CB 2.007 33.744 31.823 -0.143 0.000 0.999 110 V HN 0.496 nan 8.190 nan 0.000 0.426 111 E N 5.216 125.375 120.200 -0.069 0.000 2.408 111 E HA 0.212 4.563 4.350 0.003 0.000 0.259 111 E C -2.262 174.309 176.600 -0.049 0.000 1.110 111 E CA -1.118 55.262 56.400 -0.033 0.000 0.929 111 E CB 0.895 30.586 29.700 -0.015 0.000 0.971 111 E HN 0.413 nan 8.360 nan 0.000 0.438 112 P HA 0.133 nan 4.420 nan 0.000 0.306 112 P C -0.119 177.197 177.300 0.028 0.000 1.309 112 P CA -0.377 62.728 63.100 0.007 0.000 0.759 112 P CB 0.611 32.353 31.700 0.070 0.000 1.314 113 H N -0.750 118.411 119.070 0.152 0.000 2.660 113 H HA 0.014 4.572 4.556 0.003 0.000 0.374 113 H C 1.257 176.711 175.328 0.210 0.000 1.291 113 H CA 0.204 56.348 56.048 0.159 0.000 1.437 113 H CB 0.596 30.471 29.762 0.187 0.000 1.509 113 H HN 0.493 nan 8.280 nan 0.000 0.614 114 E N 0.614 120.984 120.200 0.283 0.000 2.058 114 E HA -0.161 4.191 4.350 0.003 0.000 0.194 114 E C -0.013 176.666 176.600 0.132 0.000 0.997 114 E CA 1.697 58.199 56.400 0.169 0.000 0.801 114 E CB 0.128 29.887 29.700 0.099 0.000 0.746 114 E HN 0.570 nan 8.360 nan 0.000 0.450 115 D N -0.972 119.536 120.400 0.180 0.000 2.650 115 D HA 0.079 4.721 4.640 0.003 0.000 0.265 115 D C -0.450 176.007 176.300 0.261 0.000 1.339 115 D CA -0.106 53.969 54.000 0.125 0.000 0.816 115 D CB 0.204 41.038 40.800 0.056 0.000 1.091 115 D HN 0.191 nan 8.370 nan 0.000 0.483 116 H N 1.344 120.589 119.070 0.292 0.000 2.934 116 H HA 0.172 4.729 4.556 0.003 0.000 0.340 116 H C -2.430 173.077 175.328 0.300 0.000 1.008 116 H CA -1.442 54.731 56.048 0.209 0.000 1.317 116 H CB 3.158 32.929 29.762 0.014 0.000 1.670 116 H HN -0.263 nan 8.280 nan 0.000 0.516 117 P HA -0.011 nan 4.420 nan 0.000 0.269 117 P C -0.038 177.185 177.300 -0.128 0.000 1.461 117 P CA 0.128 63.098 63.100 -0.217 0.000 0.809 117 P CB -0.504 30.988 31.700 -0.347 0.000 1.503 118 T N -3.124 111.510 114.554 0.133 0.000 2.908 118 T HA 0.424 4.775 4.350 0.003 0.000 0.290 118 T C -0.199 174.586 174.700 0.142 0.000 1.034 118 T CA -1.354 60.847 62.100 0.170 0.000 1.010 118 T CB 1.206 70.263 68.868 0.316 0.000 1.068 118 T HN -0.117 nan 8.240 nan 0.000 0.481 119 L N 2.612 123.832 121.223 -0.005 0.000 2.678 119 L HA 0.147 4.489 4.340 0.003 0.000 0.285 119 L C 0.210 176.959 176.870 -0.201 0.000 1.233 119 L CA 0.591 55.375 54.840 -0.093 0.000 0.920 119 L CB -0.236 41.756 42.059 -0.111 0.000 1.176 119 L HN 0.783 nan 8.230 nan 0.000 0.495 120 D N 7.762 127.956 120.400 -0.344 0.000 2.344 120 D HA 0.154 4.795 4.640 0.003 0.000 0.253 120 D C -1.671 174.463 176.300 -0.277 0.000 1.255 120 D CA -2.008 51.638 54.000 -0.591 0.000 0.894 120 D CB 1.369 41.862 40.800 -0.512 0.000 1.067 120 D HN 0.376 nan 8.370 nan 0.000 0.492 121 P HA -0.157 nan 4.420 nan 0.000 0.217 121 P C 1.540 178.800 177.300 -0.067 0.000 1.148 121 P CA 0.557 63.612 63.100 -0.075 0.000 0.828 121 P CB 0.318 32.018 31.700 -0.000 0.000 0.783 122 L N -1.700 119.483 121.223 -0.065 0.000 2.275 122 L HA -0.064 4.278 4.340 0.003 0.000 0.215 122 L C 2.092 178.927 176.870 -0.058 0.000 1.119 122 L CA 1.450 56.265 54.840 -0.041 0.000 0.790 122 L CB -0.884 41.164 42.059 -0.017 0.000 0.919 122 L HN -0.072 nan 8.230 nan 0.000 0.443 123 L N -3.056 118.114 121.223 -0.088 0.000 2.640 123 L HA 0.097 4.438 4.340 0.003 0.000 0.230 123 L C 1.911 178.721 176.870 -0.101 0.000 1.123 123 L CA -0.334 54.455 54.840 -0.086 0.000 0.900 123 L CB -0.217 41.790 42.059 -0.086 0.000 1.146 123 L HN -0.073 nan 8.230 nan 0.000 0.484 124 V N 0.416 120.263 119.914 -0.112 0.000 2.244 124 V HA -0.262 3.860 4.120 0.003 0.000 0.244 124 V C 2.510 178.506 176.094 -0.163 0.000 1.042 124 V CA 2.079 64.296 62.300 -0.138 0.000 1.006 124 V CB -0.242 31.497 31.823 -0.139 0.000 0.641 124 V HN 0.449 nan 8.190 nan 0.000 0.446 125 E N 0.555 120.658 120.200 -0.162 0.000 2.136 125 E HA -0.360 3.992 4.350 0.003 0.000 0.208 125 E C 2.141 178.650 176.600 -0.152 0.000 1.035 125 E CA 2.350 58.631 56.400 -0.198 0.000 0.838 125 E CB -0.304 29.342 29.700 -0.090 0.000 0.748 125 E HN 0.531 nan 8.360 nan 0.000 0.459 126 K N -0.698 119.641 120.400 -0.102 0.000 2.281 126 K HA -0.133 4.189 4.320 0.003 0.000 0.203 126 K C 1.511 178.055 176.600 -0.093 0.000 1.046 126 K CA 1.357 57.597 56.287 -0.079 0.000 0.938 126 K CB -0.115 32.348 32.500 -0.062 0.000 0.737 126 K HN 0.212 nan 8.250 nan 0.000 0.458 127 A N 0.319 123.066 122.820 -0.120 0.000 2.267 127 A HA 0.239 4.560 4.320 0.003 0.000 0.213 127 A C 0.529 178.032 177.584 -0.135 0.000 1.192 127 A CA -0.326 51.636 52.037 -0.124 0.000 0.851 127 A CB -0.052 18.866 19.000 -0.138 0.000 0.881 127 A HN 0.211 nan 8.150 nan 0.000 0.494 128 I N 2.045 122.516 120.570 -0.164 0.000 2.618 128 I HA 0.153 4.325 4.170 0.003 0.000 0.284 128 I C 1.012 177.067 176.117 -0.104 0.000 1.146 128 I CA 0.308 61.506 61.300 -0.171 0.000 1.425 128 I CB 1.024 38.849 38.000 -0.292 0.000 1.383 128 I HN 0.396 nan 8.210 nan 0.000 0.562 129 T N 2.979 117.485 114.554 -0.081 0.000 2.773 129 T HA 0.462 4.813 4.350 0.003 0.000 0.278 129 T C -2.244 172.436 174.700 -0.034 0.000 1.011 129 T CA -1.498 60.571 62.100 -0.051 0.000 1.014 129 T CB 1.622 70.460 68.868 -0.051 0.000 1.293 129 T HN 0.221 nan 8.240 nan 0.000 0.554 130 P HA 0.191 nan 4.420 nan 0.000 0.229 130 P C 0.982 178.270 177.300 -0.020 0.000 1.160 130 P CA 0.595 63.685 63.100 -0.016 0.000 0.777 130 P CB 0.052 31.745 31.700 -0.012 0.000 0.814 131 R N -1.376 119.106 120.500 -0.029 0.000 2.300 131 R HA 0.136 4.477 4.340 0.003 0.000 0.199 131 R C 0.288 176.566 176.300 -0.036 0.000 0.920 131 R CA 0.189 56.272 56.100 -0.029 0.000 1.046 131 R CB -0.338 29.943 30.300 -0.031 0.000 0.984 131 R HN 0.088 nan 8.270 nan 0.000 0.493 132 T N 1.647 116.174 114.554 -0.046 0.000 2.817 132 T HA 0.104 4.455 4.350 0.003 0.000 0.295 132 T C 1.034 175.710 174.700 -0.039 0.000 0.958 132 T CA 0.114 62.179 62.100 -0.058 0.000 1.157 132 T CB 1.004 69.823 68.868 -0.082 0.000 0.898 132 T HN 0.142 nan 8.240 nan 0.000 0.536 133 R N 1.125 121.608 120.500 -0.029 0.000 2.369 133 R HA 0.511 4.853 4.340 0.003 0.000 0.210 133 R C 0.512 176.828 176.300 0.027 0.000 0.881 133 R CA 0.061 56.165 56.100 0.005 0.000 1.031 133 R CB 0.612 30.940 30.300 0.047 0.000 1.184 133 R HN 0.669 nan 8.270 nan 0.000 0.581 134 A N 0.790 123.608 122.820 -0.003 0.000 2.586 134 A HA 0.658 4.980 4.320 0.003 0.000 0.290 134 A C -1.604 175.946 177.584 -0.058 0.000 1.086 134 A CA -0.672 51.368 52.037 0.004 0.000 0.665 134 A CB 1.054 20.076 19.000 0.038 0.000 1.279 134 A HN 0.042 nan 8.150 nan 0.000 0.423 135 L N 0.478 121.665 121.223 -0.060 0.000 2.346 135 L HA 0.585 4.927 4.340 0.003 0.000 0.276 135 L C -0.795 176.010 176.870 -0.109 0.000 1.006 135 L CA -0.428 54.352 54.840 -0.100 0.000 0.817 135 L CB 1.795 43.799 42.059 -0.093 0.000 1.272 135 L HN 0.644 nan 8.230 nan 0.000 0.421 136 L N 5.636 126.773 121.223 -0.144 0.000 2.581 136 L HA 0.399 4.741 4.340 0.003 0.000 0.241 136 L C -2.190 174.568 176.870 -0.186 0.000 1.265 136 L CA -1.473 53.273 54.840 -0.156 0.000 0.954 136 L CB 1.172 43.137 42.059 -0.157 0.000 1.269 136 L HN 0.332 nan 8.230 nan 0.000 0.475 137 P HA 0.110 nan 4.420 nan 0.000 0.272 137 P C -0.850 176.226 177.300 -0.374 0.000 1.223 137 P CA -0.044 62.897 63.100 -0.264 0.000 0.784 137 P CB 1.747 33.282 31.700 -0.274 0.000 0.923 138 V N 3.553 123.246 119.914 -0.368 0.000 2.487 138 V HA 0.179 4.300 4.120 0.003 0.000 0.298 138 V C 0.443 176.303 176.094 -0.391 0.000 1.028 138 V CA -0.571 61.507 62.300 -0.370 0.000 0.860 138 V CB 1.072 32.759 31.823 -0.226 0.000 0.991 138 V HN 0.550 nan 8.190 nan 0.000 0.427 139 H N 4.514 123.520 119.070 -0.106 0.000 2.799 139 H HA 0.239 4.797 4.556 0.002 0.000 0.225 139 H C 0.041 175.329 175.328 -0.066 0.000 1.904 139 H CA -0.517 55.493 56.048 -0.063 0.000 1.344 139 H CB 0.487 30.218 29.762 -0.052 0.000 1.744 139 H HN 0.385 nan 8.280 nan 0.000 0.542 140 L N 2.176 123.347 121.223 -0.087 0.000 2.540 140 L HA -0.142 4.200 4.340 0.003 0.000 0.276 140 L C 0.117 176.918 176.870 -0.114 0.000 1.212 140 L CA 0.502 55.190 54.840 -0.253 0.000 0.893 140 L CB -0.242 41.465 42.059 -0.587 0.000 1.138 140 L HN 0.473 nan 8.230 nan 0.000 0.491 141 Y N 2.319 122.704 120.300 0.143 0.000 4.899 141 Y HA -0.228 4.324 4.550 0.002 0.000 0.241 141 Y C 1.527 177.550 175.900 0.204 0.000 0.976 141 Y CA 1.158 59.380 58.100 0.204 0.000 1.952 141 Y CB -2.161 36.395 38.460 0.161 0.000 1.496 141 Y HN 0.911 nan 8.280 nan 0.000 0.545 142 G N -1.657 107.289 108.800 0.244 0.000 2.179 142 G HA2 -0.239 3.722 3.960 0.003 0.000 0.220 142 G HA3 -0.239 3.722 3.960 0.003 0.000 0.220 142 G C -0.187 174.606 174.900 -0.178 0.000 0.990 142 G CA -0.017 45.123 45.100 0.068 0.000 0.646 142 G HN 0.650 nan 8.290 nan 0.000 0.517 143 H N 1.300 120.339 119.070 -0.051 0.000 2.519 143 H HA 0.355 4.912 4.556 0.003 0.000 0.316 143 H C -2.450 172.952 175.328 0.123 0.000 1.065 143 H CA -1.388 54.634 56.048 -0.044 0.000 1.264 143 H CB 1.869 31.541 29.762 -0.150 0.000 1.413 143 H HN 0.118 nan 8.280 nan 0.000 0.465 144 P HA 0.087 nan 4.420 nan 0.000 0.275 144 P C -0.412 177.120 177.300 0.387 0.000 1.227 144 P CA -0.284 62.964 63.100 0.247 0.000 0.781 144 P CB 0.789 32.505 31.700 0.025 0.000 0.906 145 A N 1.965 125.062 122.820 0.463 0.000 2.313 145 A HA 0.182 4.503 4.320 0.003 0.000 0.261 145 A C 0.445 178.044 177.584 0.025 0.000 1.090 145 A CA -0.203 51.960 52.037 0.209 0.000 0.807 145 A CB -0.175 18.846 19.000 0.036 0.000 1.055 145 A HN 0.479 nan 8.150 nan 0.000 0.492 146 D N 2.014 122.437 120.400 0.038 0.000 2.541 146 D HA 0.072 4.714 4.640 0.003 0.000 0.231 146 D C 1.251 177.447 176.300 -0.173 0.000 1.163 146 D CA -0.094 53.904 54.000 -0.003 0.000 1.077 146 D CB -0.181 40.697 40.800 0.130 0.000 1.110 146 D HN 0.337 nan 8.370 nan 0.000 0.499 147 M N 1.087 120.311 119.600 -0.627 0.000 2.106 147 M HA -0.171 4.311 4.480 0.003 0.000 0.259 147 M C 1.224 177.437 176.300 -0.145 0.000 1.068 147 M CA 1.260 56.279 55.300 -0.468 0.000 1.100 147 M CB -0.652 31.581 32.600 -0.611 0.000 1.351 147 M HN 0.238 nan 8.290 nan 0.000 0.404 148 D N 0.643 121.067 120.400 0.041 0.000 2.092 148 D HA -0.083 4.558 4.640 0.003 0.000 0.193 148 D C 2.083 178.423 176.300 0.067 0.000 0.994 148 D CA 1.946 56.024 54.000 0.131 0.000 0.828 148 D CB -0.257 40.672 40.800 0.216 0.000 0.963 148 D HN 0.362 nan 8.370 nan 0.000 0.450 149 A N 0.437 123.297 122.820 0.067 0.000 1.902 149 A HA -0.133 4.188 4.320 0.003 0.000 0.217 149 A C 2.420 180.015 177.584 0.019 0.000 1.181 149 A CA 1.045 53.110 52.037 0.046 0.000 0.623 149 A CB -0.795 18.239 19.000 0.058 0.000 0.818 149 A HN 0.227 nan 8.150 nan 0.000 0.443 150 L N -0.978 120.241 121.223 -0.006 0.000 2.046 150 L HA -0.198 4.143 4.340 0.003 0.000 0.208 150 L C 2.874 179.736 176.870 -0.013 0.000 1.077 150 L CA 1.499 56.324 54.840 -0.026 0.000 0.747 150 L CB -0.549 41.476 42.059 -0.057 0.000 0.896 150 L HN 0.350 nan 8.230 nan 0.000 0.432 151 R N 0.003 120.498 120.500 -0.008 0.000 2.081 151 R HA -0.167 4.175 4.340 0.003 0.000 0.235 151 R C 2.193 178.502 176.300 0.016 0.000 1.131 151 R CA 1.286 57.388 56.100 0.004 0.000 0.960 151 R CB -0.329 29.977 30.300 0.010 0.000 0.856 151 R HN 0.313 nan 8.270 nan 0.000 0.436 152 E N 0.993 121.207 120.200 0.023 0.000 2.023 152 E HA -0.192 4.159 4.350 0.003 0.000 0.196 152 E C 1.827 178.450 176.600 0.040 0.000 1.003 152 E CA 0.959 57.375 56.400 0.026 0.000 0.809 152 E CB -0.309 29.409 29.700 0.030 0.000 0.755 152 E HN 0.033 nan 8.360 nan 0.000 0.449 153 L N 0.444 121.700 121.223 0.056 0.000 2.012 153 L HA -0.157 4.185 4.340 0.003 0.000 0.210 153 L C 2.062 179.035 176.870 0.171 0.000 1.073 153 L CA 2.257 57.168 54.840 0.118 0.000 0.748 153 L CB -1.106 40.982 42.059 0.047 0.000 0.891 153 L HN 0.160 nan 8.230 nan 0.000 0.431 154 A N -0.983 121.878 122.820 0.068 0.000 1.877 154 A HA -0.227 4.095 4.320 0.003 0.000 0.216 154 A C 2.004 179.612 177.584 0.039 0.000 1.186 154 A CA 1.880 53.944 52.037 0.046 0.000 0.620 154 A CB -0.833 18.169 19.000 0.003 0.000 0.822 154 A HN 0.507 nan 8.150 nan 0.000 0.443 155 D N -0.857 119.553 120.400 0.016 0.000 2.144 155 D HA -0.158 4.483 4.640 0.003 0.000 0.199 155 D C 2.047 178.321 176.300 -0.043 0.000 0.984 155 D CA 1.369 55.360 54.000 -0.015 0.000 0.834 155 D CB -0.335 40.458 40.800 -0.012 0.000 0.955 155 D HN 0.569 nan 8.370 nan 0.000 0.465 156 R N 0.034 120.505 120.500 -0.048 0.000 2.115 156 R HA -0.098 4.244 4.340 0.003 0.000 0.230 156 R C 1.329 177.400 176.300 -0.381 0.000 1.111 156 R CA 1.149 57.131 56.100 -0.198 0.000 0.976 156 R CB -0.002 30.171 30.300 -0.212 0.000 0.870 156 R HN 0.360 nan 8.270 nan 0.000 0.445 157 H N -1.438 117.602 119.070 -0.050 0.000 2.586 157 H HA 0.174 4.731 4.556 0.003 0.000 0.273 157 H C 0.659 175.942 175.328 -0.075 0.000 0.997 157 H CA 0.521 56.535 56.048 -0.057 0.000 1.177 157 H CB 1.061 30.790 29.762 -0.056 0.000 1.471 157 H HN 0.513 nan 8.280 nan 0.000 0.538 158 G N 1.780 110.567 108.800 -0.022 0.000 2.221 158 G HA2 -0.271 3.691 3.960 0.003 0.000 0.265 158 G HA3 -0.271 3.691 3.960 0.003 0.000 0.265 158 G C 0.023 174.846 174.900 -0.129 0.000 1.041 158 G CA 0.158 45.211 45.100 -0.079 0.000 0.807 158 G HN 0.260 nan 8.290 nan 0.000 0.502 159 L N 0.042 121.209 121.223 -0.094 0.000 2.344 159 L HA 0.593 4.935 4.340 0.003 0.000 0.272 159 L C 0.812 177.586 176.870 -0.161 0.000 1.035 159 L CA -1.405 53.360 54.840 -0.125 0.000 0.807 159 L CB 1.091 43.125 42.059 -0.042 0.000 1.237 159 L HN 0.120 nan 8.230 nan 0.000 0.442 160 H N 2.011 121.069 119.070 -0.021 0.000 2.508 160 H HA 0.524 5.081 4.556 0.003 0.000 0.358 160 H C -0.528 174.776 175.328 -0.039 0.000 1.212 160 H CA -0.238 55.795 56.048 -0.025 0.000 1.356 160 H CB 2.081 31.826 29.762 -0.028 0.000 1.525 160 H HN 0.331 nan 8.280 nan 0.000 0.578 161 I N 2.010 122.646 120.570 0.109 0.000 2.439 161 I HA 0.130 4.302 4.170 0.003 0.000 0.285 161 I C -0.614 175.498 176.117 -0.008 0.000 1.021 161 I CA -0.673 60.638 61.300 0.018 0.000 1.091 161 I CB 1.940 39.937 38.000 -0.005 0.000 1.242 161 I HN 0.038 nan 8.210 nan 0.000 0.439 162 V N 6.115 126.002 119.914 -0.046 0.000 2.334 162 V HA 0.276 4.398 4.120 0.003 0.000 0.281 162 V C 0.005 176.034 176.094 -0.109 0.000 1.016 162 V CA -0.650 61.608 62.300 -0.070 0.000 0.832 162 V CB 1.531 33.307 31.823 -0.077 0.000 0.999 162 V HN 0.688 nan 8.190 nan 0.000 0.439 163 E N 2.823 122.955 120.200 -0.115 0.000 2.283 163 E HA 0.259 4.611 4.350 0.003 0.000 0.278 163 E C -0.654 175.810 176.600 -0.225 0.000 1.027 163 E CA -0.516 55.779 56.400 -0.174 0.000 0.843 163 E CB 1.268 30.933 29.700 -0.057 0.000 1.062 163 E HN 0.576 nan 8.360 nan 0.000 0.401 164 D N 2.152 122.387 120.400 -0.275 0.000 2.456 164 D HA 0.203 4.844 4.640 0.003 0.000 0.219 164 D C -0.497 175.649 176.300 -0.257 0.000 1.126 164 D CA -0.404 53.449 54.000 -0.246 0.000 0.890 164 D CB 0.839 41.529 40.800 -0.184 0.000 1.025 164 D HN 0.469 nan 8.370 nan 0.000 0.511 165 A N 3.209 125.803 122.820 -0.377 0.000 2.507 165 A HA 0.461 4.782 4.320 0.003 0.000 0.270 165 A C 1.748 179.078 177.584 -0.423 0.000 1.318 165 A CA 0.346 52.140 52.037 -0.406 0.000 0.924 165 A CB 0.022 18.531 19.000 -0.818 0.000 1.061 165 A HN 0.548 nan 8.150 nan 0.000 0.516 166 A N -0.144 122.510 122.820 -0.277 0.000 2.024 166 A HA -0.177 4.145 4.320 0.003 0.000 0.220 166 A C 1.727 179.270 177.584 -0.068 0.000 1.164 166 A CA 1.568 53.520 52.037 -0.141 0.000 0.643 166 A CB -0.227 18.729 19.000 -0.074 0.000 0.806 166 A HN 0.608 nan 8.150 nan 0.000 0.451 167 Q N -1.865 117.880 119.800 -0.092 0.000 2.172 167 Q HA 0.461 4.803 4.340 0.003 0.000 0.217 167 Q C 0.436 176.506 176.000 0.116 0.000 0.832 167 Q CA 0.355 56.088 55.803 -0.116 0.000 1.010 167 Q CB 0.685 29.394 28.738 -0.049 0.000 1.133 167 Q HN 0.535 nan 8.270 nan 0.000 0.489 168 A N 0.126 123.018 122.820 0.119 0.000 2.594 168 A HA 0.168 4.490 4.320 0.003 0.000 0.292 168 A C -0.438 177.346 177.584 0.333 0.000 1.026 168 A CA -0.532 51.620 52.037 0.192 0.000 0.983 168 A CB -0.035 19.033 19.000 0.112 0.000 1.233 168 A HN 0.318 nan 8.150 nan 0.000 0.519 169 H N 0.060 119.414 119.070 0.473 0.000 3.070 169 H HA 0.227 4.785 4.556 0.002 0.000 0.313 169 H C 1.489 177.068 175.328 0.419 0.000 0.997 169 H CA 1.329 57.695 56.048 0.530 0.000 1.438 169 H CB 0.480 30.501 29.762 0.432 0.000 1.455 169 H HN 0.727 nan 8.280 nan 0.000 0.575 170 G N 1.794 110.920 108.800 0.544 0.000 2.179 170 G HA2 -0.295 3.667 3.960 0.003 0.000 0.260 170 G HA3 -0.295 3.667 3.960 0.003 0.000 0.260 170 G C 0.576 175.581 174.900 0.175 0.000 0.977 170 G CA 0.079 45.418 45.100 0.397 0.000 0.641 170 G HN 0.956 nan 8.290 nan 0.000 0.533 171 A N -0.132 122.785 122.820 0.161 0.000 2.406 171 A HA 0.746 5.068 4.320 0.003 0.000 0.243 171 A C 0.739 178.329 177.584 0.011 0.000 1.082 171 A CA 0.476 52.548 52.037 0.059 0.000 0.786 171 A CB 0.339 19.343 19.000 0.007 0.000 1.029 171 A HN 0.606 nan 8.150 nan 0.000 0.495 172 R N -0.752 119.749 120.500 0.002 0.000 2.740 172 R HA 0.473 4.814 4.340 0.003 0.000 0.282 172 R C -1.868 174.461 176.300 0.048 0.000 0.969 172 R CA -0.497 55.605 56.100 0.004 0.000 0.918 172 R CB 1.932 32.221 30.300 -0.019 0.000 1.175 172 R HN 0.730 nan 8.270 nan 0.000 0.464 173 Y N 1.974 122.231 120.300 -0.071 0.000 2.332 173 Y HA 0.254 4.805 4.550 0.002 0.000 0.326 173 Y C -0.219 175.659 175.900 -0.037 0.000 0.978 173 Y CA -0.671 57.396 58.100 -0.055 0.000 1.205 173 Y CB 0.923 39.341 38.460 -0.070 0.000 1.131 173 Y HN 0.668 nan 8.280 nan 0.000 0.462 174 R N 4.499 124.655 120.500 -0.573 0.000 3.422 174 R HA -0.233 4.109 4.340 0.003 0.000 0.267 174 R C 1.043 177.225 176.300 -0.197 0.000 1.074 174 R CA 1.021 56.850 56.100 -0.451 0.000 0.718 174 R CB -1.896 28.057 30.300 -0.578 0.000 1.157 174 R HN 1.442 nan 8.270 nan 0.000 0.440 175 G N -0.378 108.345 108.800 -0.129 0.000 2.245 175 G HA2 -0.400 3.562 3.960 0.003 0.000 0.264 175 G HA3 -0.400 3.562 3.960 0.003 0.000 0.264 175 G C 0.260 175.126 174.900 -0.057 0.000 0.985 175 G CA 0.843 45.898 45.100 -0.075 0.000 0.625 175 G HN 0.458 nan 8.290 nan 0.000 0.536 176 R N 0.433 120.911 120.500 -0.037 0.000 2.404 176 R HA 0.535 4.877 4.340 0.003 0.000 0.291 176 R C 0.477 176.764 176.300 -0.021 0.000 1.025 176 R CA -0.980 55.108 56.100 -0.020 0.000 0.991 176 R CB 0.775 31.085 30.300 0.016 0.000 1.053 176 R HN 0.069 nan 8.270 nan 0.000 0.479 177 R N 1.556 122.016 120.500 -0.067 0.000 2.643 177 R HA 0.115 4.456 4.340 0.003 0.000 0.270 177 R C 0.468 176.749 176.300 -0.031 0.000 1.061 177 R CA -0.287 55.762 56.100 -0.085 0.000 1.107 177 R CB 0.367 30.557 30.300 -0.183 0.000 0.999 177 R HN 0.438 nan 8.270 nan 0.000 0.460 178 I N 1.647 122.212 120.570 -0.009 0.000 2.598 178 I HA -0.011 4.160 4.170 0.003 0.000 0.284 178 I C 1.572 177.751 176.117 0.103 0.000 1.140 178 I CA 1.130 62.422 61.300 -0.014 0.000 1.420 178 I CB 0.088 38.053 38.000 -0.059 0.000 1.387 178 I HN 0.947 nan 8.210 nan 0.000 0.553 179 G N 4.829 113.672 108.800 0.072 0.000 2.176 179 G HA2 -0.146 3.815 3.960 0.003 0.000 0.232 179 G HA3 -0.146 3.815 3.960 0.003 0.000 0.232 179 G C 0.521 175.445 174.900 0.041 0.000 0.986 179 G CA 0.016 45.186 45.100 0.117 0.000 0.643 179 G HN 0.993 nan 8.290 nan 0.000 0.522 180 A N 0.157 122.980 122.820 0.006 0.000 2.483 180 A HA 0.701 5.022 4.320 0.003 0.000 0.238 180 A C 2.147 179.731 177.584 -0.001 0.000 1.070 180 A CA 1.875 53.901 52.037 -0.018 0.000 0.770 180 A CB -0.097 18.887 19.000 -0.026 0.000 1.008 180 A HN 2.365 nan 8.150 nan 0.000 0.497 181 G N 1.258 110.050 108.800 -0.013 0.000 2.692 181 G HA2 -0.372 3.589 3.960 0.003 0.000 0.339 181 G HA3 -0.372 3.589 3.960 0.003 0.000 0.339 181 G C 1.466 176.377 174.900 0.018 0.000 1.226 181 G CA 2.056 47.155 45.100 -0.002 0.000 0.979 181 G HN 2.293 nan 8.290 nan 0.000 0.549 182 S N 0.437 116.153 115.700 0.026 0.000 2.631 182 S HA 0.479 4.951 4.470 0.003 0.000 0.217 182 S C 1.134 175.758 174.600 0.040 0.000 0.958 182 S CA 1.025 59.248 58.200 0.038 0.000 0.920 182 S CB -0.051 63.171 63.200 0.036 0.000 0.776 182 S HN 0.996 nan 8.310 nan 0.000 0.517 183 S N 1.108 116.830 115.700 0.036 0.000 2.580 183 S HA 0.403 4.874 4.470 0.003 0.000 0.266 183 S C -0.170 174.455 174.600 0.041 0.000 1.354 183 S CA -0.482 57.739 58.200 0.034 0.000 1.008 183 S CB 1.039 64.259 63.200 0.034 0.000 0.898 183 S HN 0.293 nan 8.310 nan 0.000 0.555 184 V N 1.414 121.344 119.914 0.027 0.000 2.419 184 V HA 0.683 4.804 4.120 0.003 0.000 0.287 184 V C -0.198 175.891 176.094 -0.009 0.000 1.017 184 V CA -0.462 61.849 62.300 0.018 0.000 0.844 184 V CB 0.768 32.589 31.823 -0.004 0.000 1.011 184 V HN 0.978 nan 8.190 nan 0.000 0.429 185 A N 3.915 126.735 122.820 -0.000 0.000 2.414 185 A HA 0.991 5.313 4.320 0.003 0.000 0.306 185 A C -0.296 177.194 177.584 -0.156 0.000 1.054 185 A CA -0.308 51.658 52.037 -0.117 0.000 0.724 185 A CB 1.843 20.755 19.000 -0.146 0.000 1.267 185 A HN 1.249 nan 8.150 nan 0.000 0.418 186 A N 1.336 123.971 122.820 -0.309 0.000 2.317 186 A HA 0.873 5.194 4.320 0.003 0.000 0.327 186 A C -1.044 176.215 177.584 -0.541 0.000 1.178 186 A CA -0.297 51.596 52.037 -0.241 0.000 0.817 186 A CB 0.309 19.225 19.000 -0.141 0.000 1.189 186 A HN 0.714 nan 8.150 nan 0.000 0.489 187 F N 0.393 120.281 119.950 -0.105 0.000 2.593 187 F HA 0.677 5.206 4.527 0.003 0.000 0.320 187 F C 0.682 176.238 175.800 -0.407 0.000 1.060 187 F CA -0.395 57.456 58.000 -0.248 0.000 0.940 187 F CB 2.490 41.371 39.000 -0.199 0.000 1.268 187 F HN 0.505 nan 8.300 nan 0.000 0.475 188 S N 0.696 116.330 115.700 -0.110 0.000 2.503 188 S HA 0.613 5.085 4.470 0.003 0.000 0.301 188 S C -0.750 173.801 174.600 -0.081 0.000 1.087 188 S CA -0.396 57.722 58.200 -0.136 0.000 1.042 188 S CB 0.500 63.728 63.200 0.046 0.000 1.043 188 S HN 0.427 nan 8.310 nan 0.000 0.489 189 F N 2.968 123.032 119.950 0.190 0.000 2.735 189 F HA 0.303 4.832 4.527 0.003 0.000 0.304 189 F C 0.180 176.007 175.800 0.045 0.000 1.119 189 F CA -1.250 56.776 58.000 0.044 0.000 1.280 189 F CB -0.760 38.177 39.000 -0.106 0.000 0.994 189 F HN 0.686 nan 8.300 nan 0.000 0.520 190 Y N 4.074 124.452 120.300 0.131 0.000 2.805 190 Y HA 0.062 4.613 4.550 0.003 0.000 0.337 190 Y C -1.243 174.709 175.900 0.087 0.000 1.252 190 Y CA -1.611 56.547 58.100 0.097 0.000 1.515 190 Y CB 0.657 39.172 38.460 0.092 0.000 1.305 190 Y HN -0.068 nan 8.280 nan 0.000 0.600 191 P HA -0.184 nan 4.420 nan 0.000 0.220 191 P C 0.412 177.649 177.300 -0.105 0.000 1.155 191 P CA 2.076 64.967 63.100 -0.348 0.000 0.880 191 P CB -0.172 31.287 31.700 -0.403 0.000 0.790 195 L N 1.627 122.643 121.223 -0.344 0.000 2.318 195 L HA 0.877 5.219 4.340 0.003 0.000 0.277 195 L C -0.093 176.673 176.870 -0.174 0.000 1.008 195 L CA -0.438 54.200 54.840 -0.336 0.000 0.846 195 L CB 0.801 42.561 42.059 -0.498 0.000 1.220 195 L HN 0.172 nan 8.230 nan 0.000 0.423 196 G N 2.862 111.588 108.800 -0.124 0.000 2.658 196 G HA2 0.666 4.627 3.960 0.003 0.000 0.292 196 G HA3 0.666 4.627 3.960 0.003 0.000 0.292 196 G C -0.633 174.096 174.900 -0.286 0.000 1.320 196 G CA -0.118 44.920 45.100 -0.103 0.000 0.933 196 G HN 0.934 nan 8.290 nan 0.000 0.476 197 C N -2.312 116.800 119.300 -0.313 0.000 3.590 197 C HA 0.803 5.265 4.460 0.003 0.000 0.338 197 C C 0.283 174.914 174.990 -0.599 0.000 3.308 197 C CA -0.930 57.779 59.018 -0.514 0.000 1.716 197 C CB -0.051 27.482 27.740 -0.346 0.000 3.622 197 C HN 0.517 nan 8.230 nan 0.000 0.515 198 F N 1.410 121.291 119.950 -0.116 0.000 2.923 198 F HA 0.619 5.147 4.527 0.002 0.000 0.314 198 F C 1.052 176.786 175.800 -0.110 0.000 1.196 198 F CA 0.560 58.484 58.000 -0.126 0.000 1.320 198 F CB 0.366 39.278 39.000 -0.148 0.000 0.953 198 F HN 1.153 nan 8.300 nan 0.000 0.505 199 G N -1.117 107.680 108.800 -0.005 0.000 2.341 199 G HA2 0.110 4.071 3.960 0.003 0.000 0.299 199 G HA3 0.110 4.071 3.960 0.003 0.000 0.299 199 G C -1.978 172.929 174.900 0.012 0.000 1.274 199 G CA -0.854 44.250 45.100 0.006 0.000 0.853 199 G HN -0.172 nan 8.290 nan 0.000 0.493 200 D N 0.049 120.490 120.400 0.068 0.000 2.304 200 D HA 0.570 5.212 4.640 0.003 0.000 0.247 200 D C 0.415 176.784 176.300 0.116 0.000 1.089 200 D CA 1.099 55.176 54.000 0.128 0.000 0.910 200 D CB 1.570 42.452 40.800 0.137 0.000 1.199 200 D HN 0.877 nan 8.370 nan 0.000 0.426 201 G N -0.820 108.071 108.800 0.152 0.000 2.632 201 G HA2 0.596 4.557 3.960 0.003 0.000 0.292 201 G HA3 0.596 4.557 3.960 0.003 0.000 0.292 201 G C -0.971 173.998 174.900 0.114 0.000 1.465 201 G CA -0.358 44.855 45.100 0.189 0.000 0.824 201 G HN 0.618 nan 8.290 nan 0.000 0.509 202 G N -1.502 107.352 108.800 0.090 0.000 2.600 202 G HA2 1.038 5.000 3.960 0.003 0.000 0.293 202 G HA3 1.038 5.000 3.960 0.003 0.000 0.293 202 G C -1.175 173.695 174.900 -0.051 0.000 1.408 202 G CA 0.249 45.208 45.100 -0.236 0.000 0.782 202 G HN 2.119 nan 8.290 nan 0.000 0.482 203 A N -1.255 121.532 122.820 -0.055 0.000 2.599 203 A HA 0.728 5.049 4.320 0.003 0.000 0.294 203 A C -1.648 176.111 177.584 0.293 0.000 1.055 203 A CA -0.427 51.759 52.037 0.249 0.000 0.683 203 A CB 1.525 20.847 19.000 0.537 0.000 1.278 203 A HN 1.633 nan 8.150 nan 0.000 0.412 204 V N 1.650 121.732 119.914 0.279 0.000 2.448 204 V HA 0.671 4.792 4.120 0.003 0.000 0.295 204 V C 0.047 176.310 176.094 0.283 0.000 1.025 204 V CA -0.470 61.970 62.300 0.234 0.000 0.859 204 V CB 1.423 33.317 31.823 0.118 0.000 0.988 204 V HN 1.409 nan 8.190 nan 0.000 0.431 205 V N 1.743 121.839 119.914 0.304 0.000 2.581 205 V HA 1.006 5.127 4.120 0.003 0.000 0.303 205 V C -0.366 175.828 176.094 0.167 0.000 1.041 205 V CA -0.169 62.279 62.300 0.247 0.000 0.907 205 V CB 1.768 33.735 31.823 0.240 0.000 0.994 205 V HN 0.959 nan 8.190 nan 0.000 0.442 206 T N 1.983 116.634 114.554 0.161 0.000 2.830 206 T HA 0.614 4.965 4.350 0.003 0.000 0.322 206 T C 0.489 175.317 174.700 0.212 0.000 1.501 206 T CA 0.215 62.400 62.100 0.141 0.000 1.036 206 T CB 1.600 70.529 68.868 0.102 0.000 1.379 206 T HN 1.366 nan 8.240 nan 0.000 0.493 207 G N 1.139 110.035 108.800 0.160 0.000 3.337 207 G HA2 0.231 4.192 3.960 0.003 0.000 0.246 207 G HA3 0.231 4.192 3.960 0.003 0.000 0.246 207 G C -0.096 174.938 174.900 0.223 0.000 1.131 207 G CA -0.108 45.091 45.100 0.166 0.000 0.773 207 G HN 0.620 nan 8.290 nan 0.000 0.544 208 D N 0.677 121.192 120.400 0.192 0.000 2.373 208 D HA 0.297 4.938 4.640 0.003 0.000 0.227 208 D C -1.237 175.021 176.300 -0.070 0.000 1.091 208 D CA -2.440 51.609 54.000 0.081 0.000 0.840 208 D CB 2.479 43.299 40.800 0.033 0.000 1.060 208 D HN -0.038 nan 8.370 nan 0.000 0.502 209 P HA -0.149 nan 4.420 nan 0.000 0.217 209 P C 1.047 178.221 177.300 -0.210 0.000 1.150 209 P CA 0.943 63.880 63.100 -0.271 0.000 0.832 209 P CB 0.567 32.272 31.700 0.008 0.000 0.787 210 E N 0.040 120.181 120.200 -0.098 0.000 2.046 210 E HA -0.138 4.213 4.350 0.003 0.000 0.190 210 E C 1.939 178.490 176.600 -0.081 0.000 0.982 210 E CA 0.671 57.030 56.400 -0.070 0.000 0.800 210 E CB -1.290 28.392 29.700 -0.031 0.000 0.756 210 E HN 0.032 nan 8.360 nan 0.000 0.449 211 L N 0.476 121.651 121.223 -0.080 0.000 2.046 211 L HA -0.012 4.330 4.340 0.003 0.000 0.208 211 L C 2.239 179.056 176.870 -0.089 0.000 1.077 211 L CA 2.248 57.045 54.840 -0.072 0.000 0.747 211 L CB -1.027 40.998 42.059 -0.057 0.000 0.896 211 L HN 0.211 nan 8.230 nan 0.000 0.432 212 A N -0.767 121.955 122.820 -0.163 0.000 1.908 212 A HA -0.275 4.047 4.320 0.003 0.000 0.218 212 A C 2.262 179.777 177.584 -0.115 0.000 1.181 212 A CA 1.901 53.829 52.037 -0.182 0.000 0.627 212 A CB -0.760 17.944 19.000 -0.494 0.000 0.818 212 A HN 0.536 nan 8.150 nan 0.000 0.445 213 E N -0.110 120.016 120.200 -0.125 0.000 2.072 213 E HA -0.130 4.222 4.350 0.003 0.000 0.191 213 E C 2.238 178.815 176.600 -0.038 0.000 0.985 213 E CA 1.286 57.645 56.400 -0.068 0.000 0.801 213 E CB -0.202 29.463 29.700 -0.060 0.000 0.750 213 E HN 0.581 nan 8.360 nan 0.000 0.452 214 R N -0.242 120.233 120.500 -0.041 0.000 2.081 214 R HA -0.101 4.240 4.340 0.003 0.000 0.235 214 R C 2.511 178.802 176.300 -0.015 0.000 1.131 214 R CA 1.432 57.517 56.100 -0.024 0.000 0.960 214 R CB -0.477 29.805 30.300 -0.030 0.000 0.856 214 R HN 0.259 nan 8.270 nan 0.000 0.436 215 L N 0.195 121.407 121.223 -0.018 0.000 2.046 215 L HA -0.161 4.180 4.340 0.003 0.000 0.208 215 L C 2.594 179.470 176.870 0.010 0.000 1.077 215 L CA 1.339 56.178 54.840 -0.002 0.000 0.747 215 L CB -0.419 41.644 42.059 0.008 0.000 0.896 215 L HN 0.156 nan 8.230 nan 0.000 0.432 216 R N -0.450 120.055 120.500 0.009 0.000 2.127 216 R HA -0.149 4.192 4.340 0.003 0.000 0.238 216 R C 2.243 178.555 176.300 0.020 0.000 1.134 216 R CA 1.395 57.508 56.100 0.021 0.000 0.975 216 R CB -0.292 30.019 30.300 0.018 0.000 0.865 216 R HN 0.398 nan 8.270 nan 0.000 0.447 217 M N 0.171 119.779 119.600 0.014 0.000 2.160 217 M HA -0.088 4.394 4.480 0.003 0.000 0.264 217 M C 2.231 178.547 176.300 0.027 0.000 1.073 217 M CA 1.380 56.694 55.300 0.024 0.000 1.142 217 M CB -0.156 32.456 32.600 0.019 0.000 1.358 217 M HN 0.089 nan 8.290 nan 0.000 0.422 218 L N 0.264 121.494 121.223 0.011 0.000 2.129 218 L HA -0.228 4.113 4.340 0.003 0.000 0.212 218 L C 2.541 179.394 176.870 -0.028 0.000 1.087 218 L CA 1.423 56.262 54.840 -0.002 0.000 0.757 218 L CB -0.625 41.429 42.059 -0.009 0.000 0.896 218 L HN 0.397 nan 8.230 nan 0.000 0.434 219 R N -0.722 119.767 120.500 -0.019 0.000 2.299 219 R HA -0.055 4.286 4.340 0.003 0.000 0.197 219 R C 0.827 177.088 176.300 -0.064 0.000 0.971 219 R CA 0.846 56.923 56.100 -0.039 0.000 1.030 219 R CB -0.237 30.065 30.300 0.003 0.000 0.932 219 R HN 0.132 nan 8.270 nan 0.000 0.477 220 N N -0.065 118.621 118.700 -0.022 0.000 2.599 220 N HA 0.085 4.826 4.740 0.003 0.000 0.309 220 N C -1.344 174.276 175.510 0.182 0.000 1.743 220 N CA -0.682 52.394 53.050 0.042 0.000 0.918 220 N CB -0.134 38.400 38.487 0.079 0.000 1.339 220 N HN 0.310 nan 8.380 nan 0.000 0.493 221 Y N -0.760 119.599 120.300 0.098 0.000 4.177 221 Y HA -0.288 4.263 4.550 0.003 0.000 0.227 221 Y C 1.341 177.371 175.900 0.217 0.000 1.154 221 Y CA 0.848 59.038 58.100 0.151 0.000 1.887 221 Y CB -1.441 37.152 38.460 0.222 0.000 1.594 221 Y HN 0.419 nan 8.280 nan 0.000 0.668 222 G N 0.332 109.263 108.800 0.218 0.000 2.198 222 G HA2 -0.218 3.743 3.960 0.003 0.000 0.260 222 G HA3 -0.218 3.743 3.960 0.003 0.000 0.260 222 G C 0.009 174.983 174.900 0.123 0.000 1.025 222 G CA 0.635 45.830 45.100 0.159 0.000 0.769 222 G HN 0.967 nan 8.290 nan 0.000 0.507 223 S N -1.204 114.550 115.700 0.089 0.000 2.542 223 S HA 0.781 5.253 4.470 0.003 0.000 0.293 223 S C 0.831 175.416 174.600 -0.025 0.000 1.089 223 S CA -0.137 58.036 58.200 -0.046 0.000 0.961 223 S CB 0.997 64.072 63.200 -0.210 0.000 1.062 223 S HN 0.700 nan 8.310 nan 0.000 0.483 224 R N 2.207 122.677 120.500 -0.050 0.000 2.566 224 R HA 0.441 4.783 4.340 0.003 0.000 0.388 224 R C -0.153 176.118 176.300 -0.048 0.000 0.989 224 R CA -0.482 55.599 56.100 -0.031 0.000 1.164 224 R CB 0.258 30.547 30.300 -0.017 0.000 1.459 224 R HN 0.555 nan 8.270 nan 0.000 0.553 225 Q N 1.087 120.836 119.800 -0.084 0.000 2.541 225 Q HA 0.176 4.518 4.340 0.003 0.000 0.259 225 Q C -1.573 174.334 176.000 -0.156 0.000 0.974 225 Q CA -0.819 54.927 55.803 -0.095 0.000 0.955 225 Q CB 1.677 30.379 28.738 -0.060 0.000 1.517 225 Q HN 0.144 nan 8.270 nan 0.000 0.412 226 K N 2.784 123.060 120.400 -0.208 0.000 2.530 226 K HA -0.091 4.231 4.320 0.003 0.000 0.280 226 K C -0.711 175.684 176.600 -0.343 0.000 1.004 226 K CA 1.348 57.401 56.287 -0.389 0.000 1.071 226 K CB 0.024 32.168 32.500 -0.595 0.000 0.876 226 K HN 0.771 nan 8.250 nan 0.000 0.487 227 Y N -0.598 119.664 120.300 -0.064 0.000 4.884 227 Y HA -0.337 4.214 4.550 0.001 0.000 0.276 227 Y C 0.254 176.112 175.900 -0.070 0.000 0.915 227 Y CA 0.560 58.648 58.100 -0.020 0.000 1.768 227 Y CB -1.421 37.039 38.460 0.000 0.000 1.172 227 Y HN 0.558 nan 8.280 nan 0.000 0.470 228 S N 1.057 116.694 115.700 -0.106 0.000 2.451 228 S HA 0.511 4.982 4.470 0.003 0.000 0.301 228 S C -0.724 173.595 174.600 -0.469 0.000 1.116 228 S CA -0.469 57.647 58.200 -0.140 0.000 1.093 228 S CB 0.675 63.833 63.200 -0.070 0.000 1.017 228 S HN 0.285 nan 8.310 nan 0.000 0.482 229 H N 4.218 123.326 119.070 0.063 0.000 2.716 229 H HA 0.262 4.820 4.556 0.003 0.000 0.260 229 H C 0.281 175.640 175.328 0.052 0.000 1.280 229 H CA -0.318 55.769 56.048 0.064 0.000 1.506 229 H CB 0.946 30.748 29.762 0.068 0.000 1.514 229 H HN 0.741 nan 8.280 nan 0.000 0.502 230 E N 1.102 121.355 120.200 0.089 0.000 2.150 230 E HA -0.060 4.292 4.350 0.003 0.000 0.193 230 E C 0.509 177.152 176.600 0.072 0.000 0.985 230 E CA 0.909 57.347 56.400 0.065 0.000 0.814 230 E CB 0.590 30.311 29.700 0.034 0.000 0.752 230 E HN 0.266 nan 8.360 nan 0.000 0.466 231 T N -0.782 113.825 114.554 0.089 0.000 2.843 231 T HA 0.238 4.590 4.350 0.003 0.000 0.302 231 T C -1.419 173.340 174.700 0.099 0.000 1.232 231 T CA -0.883 61.262 62.100 0.075 0.000 1.009 231 T CB 1.278 70.177 68.868 0.051 0.000 1.254 231 T HN -0.199 nan 8.240 nan 0.000 0.504 232 K N 0.905 121.350 120.400 0.074 0.000 2.319 232 K HA 0.545 4.867 4.320 0.003 0.000 0.265 232 K C 0.337 176.984 176.600 0.078 0.000 1.000 232 K CA -0.204 56.131 56.287 0.079 0.000 0.943 232 K CB 0.659 33.189 32.500 0.051 0.000 0.950 232 K HN 0.726 nan 8.250 nan 0.000 0.485 233 G N -0.136 108.718 108.800 0.090 0.000 2.606 233 G HA2 0.402 4.363 3.960 0.003 0.000 0.300 233 G HA3 0.402 4.363 3.960 0.003 0.000 0.300 233 G C -1.294 173.586 174.900 -0.034 0.000 1.360 233 G CA -0.309 44.815 45.100 0.040 0.000 0.783 233 G HN 0.508 nan 8.290 nan 0.000 0.484 234 T N -1.283 113.171 114.554 -0.167 0.000 2.645 234 T HA 0.550 4.902 4.350 0.003 0.000 0.273 234 T C -1.348 172.981 174.700 -0.619 0.000 0.960 234 T CA -0.639 61.267 62.100 -0.323 0.000 1.051 234 T CB 1.768 70.541 68.868 -0.158 0.000 1.366 234 T HN 0.540 nan 8.240 nan 0.000 0.536 235 N N 1.543 119.928 118.700 -0.525 0.000 2.511 235 N HA 0.434 5.175 4.740 0.003 0.000 0.249 235 N C -1.636 173.776 175.510 -0.164 0.000 0.971 235 N CA -0.149 52.649 53.050 -0.420 0.000 0.938 235 N CB 1.050 39.360 38.487 -0.294 0.000 1.131 235 N HN 0.459 nan 8.380 nan 0.000 0.505 236 S N 4.078 119.715 115.700 -0.104 0.000 2.413 236 S HA 0.439 4.910 4.470 0.003 0.000 0.170 236 S C -1.051 173.552 174.600 0.006 0.000 1.294 236 S CA -0.716 57.464 58.200 -0.034 0.000 1.201 236 S CB -0.020 63.162 63.200 -0.030 0.000 1.328 236 S HN 0.558 nan 8.310 nan 0.000 0.418 237 R N 1.459 121.974 120.500 0.026 0.000 2.803 237 R HA 0.608 4.950 4.340 0.003 0.000 0.276 237 R C -1.264 175.079 176.300 0.071 0.000 0.978 237 R CA -1.057 55.076 56.100 0.055 0.000 0.939 237 R CB 1.531 31.865 30.300 0.056 0.000 1.179 237 R HN 0.414 nan 8.270 nan 0.000 0.472 238 L N 2.102 123.379 121.223 0.090 0.000 2.264 238 L HA 0.271 4.612 4.340 0.003 0.000 0.289 238 L C -0.738 176.169 176.870 0.062 0.000 1.044 238 L CA -0.276 54.616 54.840 0.087 0.000 0.807 238 L CB 0.804 42.939 42.059 0.126 0.000 1.192 238 L HN 0.447 nan 8.230 nan 0.000 0.425 239 D N 3.661 124.089 120.400 0.047 0.000 2.400 239 D HA -0.019 4.622 4.640 0.003 0.000 0.238 239 D C 1.005 177.329 176.300 0.039 0.000 1.157 239 D CA -0.030 54.001 54.000 0.052 0.000 0.889 239 D CB 0.829 41.657 40.800 0.047 0.000 1.199 239 D HN 0.557 nan 8.370 nan 0.000 0.436 240 E N 1.126 121.369 120.200 0.071 0.000 2.085 240 E HA -0.187 4.164 4.350 0.003 0.000 0.194 240 E C 1.986 178.611 176.600 0.041 0.000 0.994 240 E CA 1.010 57.448 56.400 0.063 0.000 0.801 240 E CB -0.104 29.652 29.700 0.095 0.000 0.743 240 E HN 0.527 nan 8.360 nan 0.000 0.453 241 M N 0.435 120.070 119.600 0.058 0.000 2.080 241 M HA -0.217 4.265 4.480 0.003 0.000 0.260 241 M C 2.245 178.544 176.300 -0.003 0.000 1.068 241 M CA 1.453 56.776 55.300 0.039 0.000 1.109 241 M CB -0.067 32.554 32.600 0.035 0.000 1.342 241 M HN -0.023 nan 8.290 nan 0.000 0.405 242 Q N -0.376 119.406 119.800 -0.030 0.000 2.079 242 Q HA -0.058 4.284 4.340 0.003 0.000 0.200 242 Q C 2.203 178.053 176.000 -0.251 0.000 0.974 242 Q CA 1.783 57.522 55.803 -0.107 0.000 0.840 242 Q CB -0.724 27.963 28.738 -0.084 0.000 0.898 242 Q HN 0.583 nan 8.270 nan 0.000 0.430 243 A N 1.250 123.935 122.820 -0.225 0.000 1.933 243 A HA -0.064 4.258 4.320 0.003 0.000 0.218 243 A C 2.353 179.775 177.584 -0.271 0.000 1.175 243 A CA 1.870 53.696 52.037 -0.351 0.000 0.628 243 A CB -0.662 18.261 19.000 -0.129 0.000 0.814 243 A HN 0.355 nan 8.150 nan 0.000 0.444 244 A N -0.496 122.252 122.820 -0.120 0.000 1.902 244 A HA -0.018 4.304 4.320 0.003 0.000 0.217 244 A C 2.214 179.742 177.584 -0.094 0.000 1.181 244 A CA 1.828 53.828 52.037 -0.062 0.000 0.623 244 A CB -0.931 18.066 19.000 -0.006 0.000 0.818 244 A HN 0.409 nan 8.150 nan 0.000 0.443 245 V N -0.026 119.817 119.914 -0.120 0.000 2.343 245 V HA -0.246 3.876 4.120 0.003 0.000 0.247 245 V C 2.518 178.454 176.094 -0.264 0.000 1.051 245 V CA 1.890 64.115 62.300 -0.126 0.000 1.036 245 V CB -0.775 30.987 31.823 -0.101 0.000 0.654 245 V HN 0.559 nan 8.190 nan 0.000 0.451 246 L N -0.494 120.460 121.223 -0.448 0.000 2.131 246 L HA -0.134 4.208 4.340 0.003 0.000 0.210 246 L C 2.799 179.458 176.870 -0.352 0.000 1.092 246 L CA 1.386 55.826 54.840 -0.667 0.000 0.759 246 L CB -0.543 40.651 42.059 -1.443 0.000 0.903 246 L HN 0.266 nan 8.230 nan 0.000 0.435 247 R N -0.013 120.396 120.500 -0.151 0.000 2.092 247 R HA -0.110 4.232 4.340 0.003 0.000 0.231 247 R C 2.224 178.511 176.300 -0.022 0.000 1.119 247 R CA 1.314 57.447 56.100 0.054 0.000 0.970 247 R CB -0.492 29.852 30.300 0.073 0.000 0.864 247 R HN 0.371 nan 8.270 nan 0.000 0.440 248 I N 0.727 121.262 120.570 -0.059 0.000 2.202 248 I HA -0.245 3.927 4.170 0.003 0.000 0.242 248 I C 2.600 178.678 176.117 -0.065 0.000 1.091 248 I CA 1.224 62.507 61.300 -0.029 0.000 1.368 248 I CB -0.236 37.747 38.000 -0.028 0.000 1.058 248 I HN 0.057 nan 8.210 nan 0.000 0.410 249 R N 0.335 120.710 120.500 -0.208 0.000 2.096 249 R HA -0.160 4.182 4.340 0.003 0.000 0.235 249 R C 2.261 178.376 176.300 -0.309 0.000 1.127 249 R CA 1.174 57.061 56.100 -0.355 0.000 0.968 249 R CB -0.988 29.075 30.300 -0.395 0.000 0.861 249 R HN 0.289 nan 8.270 nan 0.000 0.440 250 L N 1.191 122.281 121.223 -0.223 0.000 2.079 250 L HA -0.084 4.258 4.340 0.003 0.000 0.210 250 L C 2.196 178.923 176.870 -0.239 0.000 1.081 250 L CA 1.897 56.596 54.840 -0.236 0.000 0.752 250 L CB -0.692 41.302 42.059 -0.108 0.000 0.896 250 L HN 0.138 nan 8.230 nan 0.000 0.433 251 A N -1.803 120.922 122.820 -0.157 0.000 2.070 251 A HA -0.198 4.124 4.320 0.003 0.000 0.220 251 A C 1.560 178.920 177.584 -0.374 0.000 1.159 251 A CA 1.701 53.616 52.037 -0.202 0.000 0.656 251 A CB -0.875 18.024 19.000 -0.168 0.000 0.800 251 A HN 0.715 nan 8.150 nan 0.000 0.453 252 H N -2.141 116.714 119.070 -0.358 0.000 2.594 252 H HA 0.255 4.812 4.556 0.002 0.000 0.279 252 H C 1.393 176.445 175.328 -0.460 0.000 1.042 252 H CA -0.102 55.665 56.048 -0.468 0.000 1.177 252 H CB 0.353 29.581 29.762 -0.891 0.000 1.524 252 H HN 0.331 nan 8.280 nan 0.000 0.537 253 L N 0.914 121.999 121.223 -0.231 0.000 1.990 253 L HA -0.205 4.137 4.340 0.003 0.000 0.213 253 L C 1.446 178.380 176.870 0.106 0.000 1.072 253 L CA 1.946 56.731 54.840 -0.092 0.000 0.755 253 L CB -0.377 41.576 42.059 -0.178 0.000 0.889 253 L HN 0.209 nan 8.230 nan 0.000 0.432 254 D N -1.251 119.233 120.400 0.140 0.000 2.123 254 D HA -0.192 4.450 4.640 0.003 0.000 0.196 254 D C 2.400 178.801 176.300 0.169 0.000 0.992 254 D CA 1.456 55.570 54.000 0.190 0.000 0.833 254 D CB -0.183 40.726 40.800 0.182 0.000 0.954 254 D HN 0.470 nan 8.370 nan 0.000 0.455 255 S N -0.533 115.254 115.700 0.144 0.000 2.348 255 S HA -0.163 4.308 4.470 0.003 0.000 0.221 255 S C 1.866 176.670 174.600 0.340 0.000 1.033 255 S CA 1.100 59.426 58.200 0.210 0.000 1.010 255 S CB -0.375 62.957 63.200 0.219 0.000 0.891 255 S HN 0.257 nan 8.310 nan 0.000 0.442 256 W N 2.385 123.725 121.300 0.066 0.000 2.358 256 W HA 0.106 4.768 4.660 0.003 0.000 0.303 256 W C 2.336 178.883 176.519 0.047 0.000 1.208 256 W CA 0.495 57.852 57.345 0.019 0.000 1.274 256 W CB -1.539 27.925 29.460 0.007 0.000 1.138 256 W HN 0.378 nan 8.180 nan 0.000 0.515 257 N N -0.292 118.603 118.700 0.325 0.000 2.166 257 N HA -0.110 4.632 4.740 0.003 0.000 0.186 257 N C 2.029 177.673 175.510 0.224 0.000 1.019 257 N CA 1.807 55.021 53.050 0.272 0.000 0.856 257 N CB -1.169 37.482 38.487 0.273 0.000 0.993 257 N HN 0.216 nan 8.380 nan 0.000 0.426 258 G N 1.400 110.316 108.800 0.193 0.000 2.442 258 G HA2 -0.268 3.693 3.960 0.003 0.000 0.219 258 G HA3 -0.268 3.693 3.960 0.003 0.000 0.219 258 G C 1.664 176.621 174.900 0.096 0.000 1.141 258 G CA 0.519 45.704 45.100 0.142 0.000 0.763 258 G HN 0.343 nan 8.290 nan 0.000 0.554 259 R N 0.008 120.555 120.500 0.079 0.000 2.092 259 R HA 0.027 4.369 4.340 0.003 0.000 0.231 259 R C 2.752 179.038 176.300 -0.023 0.000 1.119 259 R CA 1.066 57.161 56.100 -0.008 0.000 0.970 259 R CB -0.297 29.950 30.300 -0.088 0.000 0.864 259 R HN 0.282 nan 8.270 nan 0.000 0.440 260 R N 0.308 120.836 120.500 0.046 0.000 2.092 260 R HA -0.022 4.320 4.340 0.003 0.000 0.231 260 R C 2.432 178.745 176.300 0.022 0.000 1.119 260 R CA 1.503 57.642 56.100 0.065 0.000 0.970 260 R CB -0.188 30.237 30.300 0.209 0.000 0.864 260 R HN 0.098 nan 8.270 nan 0.000 0.440 261 S N 0.837 116.601 115.700 0.106 0.000 2.368 261 S HA -0.158 4.314 4.470 0.003 0.000 0.225 261 S C 2.106 176.652 174.600 -0.091 0.000 1.030 261 S CA 1.282 59.517 58.200 0.058 0.000 0.999 261 S CB -0.209 63.115 63.200 0.207 0.000 0.844 261 S HN 0.491 nan 8.310 nan 0.000 0.459 262 A N 1.367 124.151 122.820 -0.059 0.000 1.902 262 A HA -0.027 4.294 4.320 0.003 0.000 0.217 262 A C 2.119 179.588 177.584 -0.192 0.000 1.181 262 A CA 1.218 53.196 52.037 -0.098 0.000 0.623 262 A CB -0.734 18.221 19.000 -0.074 0.000 0.818 262 A HN 0.450 nan 8.150 nan 0.000 0.443 263 L N -0.747 120.336 121.223 -0.234 0.000 2.046 263 L HA -0.181 4.161 4.340 0.003 0.000 0.208 263 L C 3.091 179.677 176.870 -0.474 0.000 1.077 263 L CA 1.031 55.645 54.840 -0.378 0.000 0.747 263 L CB -0.566 41.291 42.059 -0.338 0.000 0.896 263 L HN 0.424 nan 8.230 nan 0.000 0.432 264 A N 0.178 122.747 122.820 -0.418 0.000 1.883 264 A HA -0.229 4.092 4.320 0.003 0.000 0.217 264 A C 2.548 179.929 177.584 -0.338 0.000 1.186 264 A CA 1.953 53.667 52.037 -0.539 0.000 0.624 264 A CB -0.877 17.294 19.000 -1.381 0.000 0.822 264 A HN 0.398 nan 8.150 nan 0.000 0.444 265 A N -0.503 122.161 122.820 -0.260 0.000 1.933 265 A HA -0.202 4.120 4.320 0.003 0.000 0.218 265 A C 2.035 179.543 177.584 -0.126 0.000 1.175 265 A CA 1.905 53.873 52.037 -0.116 0.000 0.628 265 A CB -0.551 18.411 19.000 -0.064 0.000 0.814 265 A HN 0.718 nan 8.150 nan 0.000 0.444 266 E N -1.511 118.553 120.200 -0.227 0.000 2.051 266 E HA -0.226 4.126 4.350 0.003 0.000 0.192 266 E C 1.757 178.210 176.600 -0.245 0.000 0.991 266 E CA 1.394 57.639 56.400 -0.259 0.000 0.799 266 E CB -0.280 29.194 29.700 -0.377 0.000 0.748 266 E HN 0.670 nan 8.360 nan 0.000 0.449 267 Y N 0.764 120.855 120.300 -0.348 0.000 2.181 267 Y HA -0.155 4.396 4.550 0.002 0.000 0.288 267 Y C 2.238 178.053 175.900 -0.141 0.000 1.146 267 Y CA 1.066 58.915 58.100 -0.418 0.000 1.164 267 Y CB -0.427 37.327 38.460 -1.177 0.000 0.982 267 Y HN 0.085 nan 8.280 nan 0.000 0.515 268 L N -1.608 119.692 121.223 0.129 0.000 2.042 268 L HA -0.270 4.072 4.340 0.003 0.000 0.210 268 L C 2.681 179.620 176.870 0.114 0.000 1.076 268 L CA 1.646 56.602 54.840 0.193 0.000 0.749 268 L CB -0.771 41.400 42.059 0.187 0.000 0.893 268 L HN 0.124 nan 8.230 nan 0.000 0.432 269 S N -0.159 115.573 115.700 0.054 0.000 2.343 269 S HA -0.128 4.343 4.470 0.003 0.000 0.219 269 S C 1.946 176.568 174.600 0.036 0.000 1.033 269 S CA 1.443 59.663 58.200 0.033 0.000 1.014 269 S CB -0.468 62.730 63.200 -0.003 0.000 0.915 269 S HN 0.541 nan 8.310 nan 0.000 0.435 270 G N 0.598 109.411 108.800 0.021 0.000 2.471 270 G HA2 -0.008 3.953 3.960 0.003 0.000 0.219 270 G HA3 -0.008 3.953 3.960 0.003 0.000 0.219 270 G C 1.073 176.012 174.900 0.066 0.000 1.125 270 G CA 0.362 45.480 45.100 0.030 0.000 0.775 270 G HN 0.517 nan 8.290 nan 0.000 0.548 271 L N 0.685 121.965 121.223 0.096 0.000 2.628 271 L HA 0.382 4.724 4.340 0.003 0.000 0.229 271 L C 1.464 178.396 176.870 0.103 0.000 1.137 271 L CA -0.586 54.322 54.840 0.114 0.000 0.909 271 L CB 0.093 42.243 42.059 0.153 0.000 1.137 271 L HN 0.172 nan 8.230 nan 0.000 0.470 272 A N -0.020 122.851 122.820 0.086 0.000 2.445 272 A HA 0.464 4.786 4.320 0.003 0.000 0.242 272 A C 1.372 178.992 177.584 0.060 0.000 1.075 272 A CA 0.645 52.727 52.037 0.075 0.000 0.777 272 A CB 0.047 19.085 19.000 0.063 0.000 1.013 272 A HN 0.525 nan 8.150 nan 0.000 0.493 273 G N 0.211 109.044 108.800 0.054 0.000 2.147 273 G HA2 -0.173 3.788 3.960 0.003 0.000 0.244 273 G HA3 -0.173 3.788 3.960 0.003 0.000 0.244 273 G C -0.130 174.795 174.900 0.041 0.000 1.005 273 G CA 0.405 45.530 45.100 0.041 0.000 0.713 273 G HN 0.947 nan 8.290 nan 0.000 0.515 274 L N 0.436 121.691 121.223 0.053 0.000 2.426 274 L HA 0.289 4.631 4.340 0.003 0.000 0.255 274 L C -0.573 176.326 176.870 0.050 0.000 1.080 274 L CA -2.030 52.843 54.840 0.054 0.000 0.960 274 L CB 1.171 43.279 42.059 0.082 0.000 1.326 274 L HN -0.074 nan 8.230 nan 0.000 0.441 275 P HA -0.224 nan 4.420 nan 0.000 0.218 275 P C 1.498 178.815 177.300 0.028 0.000 1.154 275 P CA 1.568 64.682 63.100 0.023 0.000 0.872 275 P CB 0.243 31.948 31.700 0.008 0.000 0.790 276 G N -1.162 107.658 108.800 0.032 0.000 2.572 276 G HA2 -0.009 3.952 3.960 0.003 0.000 0.216 276 G HA3 -0.009 3.952 3.960 0.003 0.000 0.216 276 G C 0.599 175.553 174.900 0.090 0.000 1.133 276 G CA 0.028 45.158 45.100 0.049 0.000 0.791 276 G HN 0.181 nan 8.290 nan 0.000 0.538 277 I N 2.205 122.835 120.570 0.101 0.000 2.297 277 I HA 0.294 4.465 4.170 0.003 0.000 0.291 277 I C 0.810 176.968 176.117 0.068 0.000 1.033 277 I CA -1.142 60.222 61.300 0.107 0.000 1.253 277 I CB 0.460 38.540 38.000 0.134 0.000 1.396 277 I HN -0.052 nan 8.210 nan 0.000 0.476 278 G N 7.495 116.317 108.800 0.036 0.000 2.355 278 G HA2 0.483 4.445 3.960 0.003 0.000 0.276 278 G HA3 0.483 4.445 3.960 0.003 0.000 0.276 278 G C -0.156 174.753 174.900 0.015 0.000 1.198 278 G CA -0.469 44.637 45.100 0.010 0.000 0.876 278 G HN 0.500 nan 8.290 nan 0.000 0.478 279 L N 3.812 125.058 121.223 0.037 0.000 2.343 279 L HA 0.363 4.705 4.340 0.003 0.000 0.275 279 L C -1.676 175.198 176.870 0.007 0.000 1.056 279 L CA -1.926 52.942 54.840 0.046 0.000 0.804 279 L CB 1.907 44.039 42.059 0.122 0.000 1.203 279 L HN 0.362 nan 8.230 nan 0.000 0.440 280 P HA 0.091 nan 4.420 nan 0.000 0.268 280 P C -0.744 176.608 177.300 0.088 0.000 1.204 280 P CA -0.174 62.897 63.100 -0.049 0.000 0.768 280 P CB 0.825 32.457 31.700 -0.113 0.000 0.842 281 V N 3.291 123.232 119.914 0.046 0.000 2.427 281 V HA 0.225 4.347 4.120 0.003 0.000 0.286 281 V C 0.667 176.875 176.094 0.191 0.000 1.034 281 V CA -0.200 62.188 62.300 0.146 0.000 0.893 281 V CB 1.380 33.297 31.823 0.158 0.000 0.982 281 V HN 0.513 nan 8.190 nan 0.000 0.452 282 T N 5.056 119.788 114.554 0.296 0.000 2.727 282 T HA 0.507 4.859 4.350 0.003 0.000 0.298 282 T C 0.485 175.328 174.700 0.238 0.000 0.942 282 T CA -0.053 62.265 62.100 0.365 0.000 0.997 282 T CB 0.858 69.964 68.868 0.396 0.000 0.917 282 T HN 0.946 nan 8.240 nan 0.000 0.487 283 A N 6.415 129.365 122.820 0.216 0.000 2.466 283 A HA 0.470 4.792 4.320 0.003 0.000 0.238 283 A C -2.082 175.518 177.584 0.027 0.000 1.074 283 A CA -1.133 50.886 52.037 -0.029 0.000 0.774 283 A CB -0.294 18.527 19.000 -0.298 0.000 1.015 283 A HN 0.475 nan 8.150 nan 0.000 0.498 284 P HA 0.240 nan 4.420 nan 0.000 0.271 284 P C -0.551 176.727 177.300 -0.038 0.000 1.218 284 P CA 0.169 63.265 63.100 -0.008 0.000 0.780 284 P CB 0.416 32.104 31.700 -0.019 0.000 0.901 285 D N -1.769 118.600 120.400 -0.053 0.000 3.090 285 D HA -0.101 4.540 4.640 0.003 0.000 0.215 285 D C -0.026 176.189 176.300 -0.143 0.000 1.140 285 D CA 1.603 55.524 54.000 -0.132 0.000 0.937 285 D CB -1.810 38.848 40.800 -0.236 0.000 1.108 285 D HN 0.616 nan 8.370 nan 0.000 0.420 286 T N -2.748 111.789 114.554 -0.028 0.000 2.907 286 T HA 0.584 4.936 4.350 0.003 0.000 0.292 286 T C -0.753 173.964 174.700 0.027 0.000 1.043 286 T CA -0.831 61.282 62.100 0.021 0.000 1.003 286 T CB 2.990 71.925 68.868 0.113 0.000 1.084 286 T HN -0.157 nan 8.240 nan 0.000 0.483 287 D N 3.348 123.755 120.400 0.011 0.000 2.404 287 D HA 0.312 4.953 4.640 0.003 0.000 0.267 287 D C -2.551 173.718 176.300 -0.052 0.000 1.194 287 D CA -1.101 52.908 54.000 0.016 0.000 0.910 287 D CB 1.742 42.560 40.800 0.029 0.000 1.090 287 D HN 0.365 nan 8.370 nan 0.000 0.511 288 P HA -0.013 nan 4.420 nan 0.000 0.272 288 P C 1.035 178.151 177.300 -0.307 0.000 1.230 288 P CA -0.305 62.465 63.100 -0.550 0.000 0.788 288 P CB 1.057 31.844 31.700 -1.521 0.000 0.949 289 V N -3.881 115.900 119.914 -0.223 0.000 3.427 289 V HA 0.277 4.398 4.120 0.003 0.000 0.305 289 V C -0.251 176.008 176.094 0.275 0.000 1.412 289 V CA -0.631 61.739 62.300 0.117 0.000 1.086 289 V CB -1.821 30.126 31.823 0.207 0.000 0.964 289 V HN 0.556 nan 8.190 nan 0.000 0.439 290 W N 1.252 122.618 121.300 0.111 0.000 6.880 290 W HA -0.259 4.402 4.660 0.002 0.000 0.423 290 W C 1.538 178.190 176.519 0.222 0.000 1.695 290 W CA 1.122 58.580 57.345 0.188 0.000 1.126 290 W CB -2.496 27.090 29.460 0.210 0.000 2.925 290 W HN 0.688 nan 8.180 nan 0.000 1.530 291 H N -0.004 119.246 119.070 0.299 0.000 2.457 291 H HA 0.166 4.724 4.556 0.003 0.000 0.294 291 H C 0.662 176.114 175.328 0.207 0.000 1.064 291 H CA 2.063 58.261 56.048 0.251 0.000 1.330 291 H CB 0.239 30.146 29.762 0.242 0.000 1.395 291 H HN 0.320 nan 8.280 nan 0.000 0.541 292 L N 0.014 121.320 121.223 0.137 0.000 2.482 292 L HA 0.210 4.552 4.340 0.003 0.000 0.263 292 L C -1.532 175.458 176.870 0.201 0.000 0.957 292 L CA -0.978 53.868 54.840 0.009 0.000 0.836 292 L CB 2.419 44.374 42.059 -0.174 0.000 1.324 292 L HN 0.050 nan 8.230 nan 0.000 0.406 293 F N 2.769 122.754 119.950 0.058 0.000 2.313 293 F HA 0.474 5.003 4.527 0.002 0.000 0.369 293 F C 0.380 176.143 175.800 -0.061 0.000 1.109 293 F CA -0.352 57.707 58.000 0.098 0.000 1.132 293 F CB 1.067 40.047 39.000 -0.033 0.000 1.291 293 F HN 0.421 nan 8.300 nan 0.000 0.496 294 T N 4.256 118.556 114.554 -0.423 0.000 2.823 294 T HA 0.722 5.074 4.350 0.003 0.000 0.279 294 T C -0.593 173.936 174.700 -0.285 0.000 0.998 294 T CA -0.607 61.301 62.100 -0.320 0.000 0.994 294 T CB 1.353 69.936 68.868 -0.475 0.000 0.960 294 T HN 0.568 nan 8.240 nan 0.000 0.448 295 V N 1.049 120.896 119.914 -0.111 0.000 2.864 295 V HA 0.828 4.949 4.120 0.003 0.000 0.314 295 V C -0.630 175.444 176.094 -0.034 0.000 1.073 295 V CA -1.436 60.836 62.300 -0.047 0.000 0.956 295 V CB 1.751 33.596 31.823 0.037 0.000 1.023 295 V HN 1.036 nan 8.190 nan 0.000 0.435 296 R N 1.090 121.572 120.500 -0.030 0.000 2.670 296 R HA 0.837 5.178 4.340 0.003 0.000 0.289 296 R C -0.834 175.462 176.300 -0.006 0.000 0.965 296 R CA -0.344 55.731 56.100 -0.042 0.000 0.899 296 R CB 2.111 32.342 30.300 -0.114 0.000 1.173 296 R HN 1.041 nan 8.270 nan 0.000 0.456 297 T N 0.551 115.107 114.554 0.004 0.000 3.047 297 T HA 0.133 4.484 4.350 0.003 0.000 0.340 297 T C -1.313 173.420 174.700 0.055 0.000 1.421 297 T CA -0.796 61.337 62.100 0.054 0.000 1.090 297 T CB 1.332 70.280 68.868 0.133 0.000 1.292 297 T HN 0.346 nan 8.240 nan 0.000 0.480 298 E N 2.255 122.498 120.200 0.071 0.000 2.383 298 E HA 0.373 4.725 4.350 0.003 0.000 0.264 298 E C 0.646 177.324 176.600 0.130 0.000 1.050 298 E CA 0.122 56.563 56.400 0.068 0.000 0.896 298 E CB 0.546 30.279 29.700 0.054 0.000 0.982 298 E HN 0.767 nan 8.360 nan 0.000 0.424 299 R N 0.373 120.940 120.500 0.112 0.000 3.854 299 R HA -0.234 4.108 4.340 0.003 0.000 0.352 299 R C 1.204 177.544 176.300 0.066 0.000 1.156 299 R CA 0.989 57.191 56.100 0.171 0.000 0.917 299 R CB -1.646 28.857 30.300 0.340 0.000 1.471 299 R HN 0.458 nan 8.270 nan 0.000 0.521 300 R N 0.433 120.922 120.500 -0.020 0.000 2.120 300 R HA -0.080 4.262 4.340 0.003 0.000 0.234 300 R C 1.107 177.309 176.300 -0.162 0.000 1.123 300 R CA 1.964 57.983 56.100 -0.135 0.000 0.975 300 R CB -0.286 29.962 30.300 -0.088 0.000 0.866 300 R HN 0.163 nan 8.270 nan 0.000 0.446 301 D N 0.938 121.291 120.400 -0.080 0.000 2.178 301 D HA -0.129 4.512 4.640 0.003 0.000 0.201 301 D C 1.544 177.795 176.300 -0.083 0.000 0.980 301 D CA 1.319 55.277 54.000 -0.071 0.000 0.842 301 D CB -0.088 40.696 40.800 -0.027 0.000 0.948 301 D HN 0.543 nan 8.370 nan 0.000 0.472 302 E N 0.040 120.207 120.200 -0.055 0.000 2.046 302 E HA -0.112 4.239 4.350 0.003 0.000 0.190 302 E C 2.099 178.530 176.600 -0.281 0.000 0.982 302 E CA 0.162 56.561 56.400 -0.002 0.000 0.800 302 E CB -0.057 29.805 29.700 0.270 0.000 0.756 302 E HN 0.083 nan 8.360 nan 0.000 0.449 303 L N 1.650 122.408 121.223 -0.775 0.000 2.012 303 L HA -0.222 4.120 4.340 0.003 0.000 0.210 303 L C 2.380 178.930 176.870 -0.534 0.000 1.073 303 L CA 1.881 55.937 54.840 -1.308 0.000 0.748 303 L CB -0.357 40.804 42.059 -1.497 0.000 0.891 303 L HN -0.072 nan 8.230 nan 0.000 0.431 304 R N -1.065 119.231 120.500 -0.340 0.000 2.105 304 R HA -0.161 4.181 4.340 0.003 0.000 0.239 304 R C 2.394 178.614 176.300 -0.134 0.000 1.135 304 R CA 1.629 57.611 56.100 -0.196 0.000 0.967 304 R CB -0.421 29.788 30.300 -0.153 0.000 0.861 304 R HN 0.479 nan 8.270 nan 0.000 0.442 305 S N -0.431 115.204 115.700 -0.108 0.000 2.348 305 S HA -0.212 4.260 4.470 0.003 0.000 0.221 305 S C 1.657 176.251 174.600 -0.011 0.000 1.033 305 S CA 1.603 59.780 58.200 -0.038 0.000 1.010 305 S CB -0.445 62.758 63.200 0.006 0.000 0.891 305 S HN 0.587 nan 8.310 nan 0.000 0.442 306 H N 1.595 120.599 119.070 -0.110 0.000 2.289 306 H HA -0.042 4.516 4.556 0.003 0.000 0.296 306 H C 1.877 177.175 175.328 -0.049 0.000 1.091 306 H CA 2.088 58.108 56.048 -0.048 0.000 1.274 306 H CB -0.546 29.171 29.762 -0.074 0.000 1.364 306 H HN 0.313 nan 8.280 nan 0.000 0.490 307 L N -0.346 120.767 121.223 -0.183 0.000 2.046 307 L HA -0.153 4.189 4.340 0.003 0.000 0.208 307 L C 2.419 179.198 176.870 -0.151 0.000 1.077 307 L CA 1.542 56.265 54.840 -0.195 0.000 0.747 307 L CB -0.650 41.345 42.059 -0.108 0.000 0.896 307 L HN 0.341 nan 8.230 nan 0.000 0.432 308 D N 0.648 120.984 120.400 -0.107 0.000 2.103 308 D HA -0.223 4.418 4.640 0.003 0.000 0.190 308 D C 2.175 178.428 176.300 -0.078 0.000 0.997 308 D CA 1.809 55.765 54.000 -0.073 0.000 0.833 308 D CB 0.046 40.813 40.800 -0.055 0.000 0.961 308 D HN 0.230 nan 8.370 nan 0.000 0.447 309 A N 0.444 123.212 122.820 -0.087 0.000 1.948 309 A HA -0.186 4.136 4.320 0.003 0.000 0.220 309 A C 2.130 179.653 177.584 -0.103 0.000 1.177 309 A CA 1.349 53.341 52.037 -0.074 0.000 0.636 309 A CB -0.462 18.509 19.000 -0.048 0.000 0.815 309 A HN 0.209 nan 8.150 nan 0.000 0.449 310 R N -1.088 119.305 120.500 -0.179 0.000 2.325 310 R HA 0.127 4.468 4.340 0.003 0.000 0.214 310 R C 1.103 177.351 176.300 -0.088 0.000 0.961 310 R CA 0.664 56.669 56.100 -0.158 0.000 1.086 310 R CB -0.560 29.586 30.300 -0.258 0.000 1.037 310 R HN 0.809 nan 8.270 nan 0.000 0.493 311 G N 1.729 110.489 108.800 -0.067 0.000 2.176 311 G HA2 -0.267 3.695 3.960 0.003 0.000 0.252 311 G HA3 -0.267 3.695 3.960 0.003 0.000 0.252 311 G C 0.007 174.892 174.900 -0.025 0.000 1.024 311 G CA -0.043 45.034 45.100 -0.037 0.000 0.755 311 G HN 0.288 nan 8.290 nan 0.000 0.507 312 I N 0.919 121.469 120.570 -0.033 0.000 2.362 312 I HA 0.345 4.517 4.170 0.003 0.000 0.289 312 I C -0.634 175.489 176.117 0.010 0.000 0.994 312 I CA -0.950 60.348 61.300 -0.005 0.000 1.158 312 I CB 1.510 39.505 38.000 -0.008 0.000 1.315 312 I HN -0.101 nan 8.210 nan 0.000 0.451 313 D N 4.656 125.088 120.400 0.054 0.000 2.308 313 D HA 0.441 5.083 4.640 0.003 0.000 0.251 313 D C 0.161 176.539 176.300 0.130 0.000 1.127 313 D CA 0.120 54.162 54.000 0.070 0.000 0.876 313 D CB 1.480 42.347 40.800 0.113 0.000 1.176 313 D HN 0.619 nan 8.370 nan 0.000 0.446 314 T N -0.919 113.641 114.554 0.009 0.000 2.865 314 T HA 0.804 5.156 4.350 0.003 0.000 0.294 314 T C -0.444 174.043 174.700 -0.354 0.000 1.119 314 T CA -0.861 61.222 62.100 -0.028 0.000 1.007 314 T CB 1.143 70.002 68.868 -0.015 0.000 1.225 314 T HN 0.220 nan 8.240 nan 0.000 0.515 315 L N -0.362 120.552 121.223 -0.516 0.000 2.322 315 L HA 0.747 5.088 4.340 0.003 0.000 0.252 315 L C -0.647 175.968 176.870 -0.425 0.000 1.055 315 L CA -1.045 53.422 54.840 -0.622 0.000 0.849 315 L CB 2.854 44.297 42.059 -1.026 0.000 1.446 315 L HN 0.800 nan 8.230 nan 0.000 0.416 316 T N -0.714 113.524 114.554 -0.526 0.000 2.847 316 T HA 0.437 4.788 4.350 0.003 0.000 0.291 316 T C -1.268 173.065 174.700 -0.612 0.000 0.998 316 T CA -0.481 61.393 62.100 -0.375 0.000 0.967 316 T CB 0.447 69.194 68.868 -0.201 0.000 0.954 316 T HN 0.387 nan 8.240 nan 0.000 0.441 317 H N 2.822 121.701 119.070 -0.318 0.000 2.786 317 H HA 0.498 5.055 4.556 0.003 0.000 0.284 317 H C -1.172 173.884 175.328 -0.455 0.000 1.104 317 H CA -0.348 55.179 56.048 -0.868 0.000 1.339 317 H CB 0.355 29.534 29.762 -0.972 0.000 1.427 317 H HN 0.521 nan 8.280 nan 0.000 0.497 318 Y N 1.764 122.262 120.300 0.330 0.000 2.545 318 Y HA 0.259 4.811 4.550 0.003 0.000 0.348 318 Y C -1.755 174.211 175.900 0.110 0.000 1.002 318 Y CA -2.755 55.440 58.100 0.158 0.000 1.039 318 Y CB 1.655 40.211 38.460 0.161 0.000 1.271 318 Y HN 0.375 nan 8.280 nan 0.000 0.467 319 P HA -0.049 nan 4.420 nan 0.000 0.219 319 P C -0.197 177.158 177.300 0.093 0.000 1.150 319 P CA 1.048 64.203 63.100 0.092 0.000 0.814 319 P CB 0.576 32.293 31.700 0.030 0.000 0.787 320 V N 2.625 122.596 119.914 0.094 0.000 2.409 320 V HA 0.313 4.435 4.120 0.003 0.000 0.291 320 V C -2.286 173.819 176.094 0.018 0.000 1.020 320 V CA -2.116 60.199 62.300 0.025 0.000 0.848 320 V CB 1.495 33.304 31.823 -0.022 0.000 0.990 320 V HN -0.027 nan 8.190 nan 0.000 0.430 321 P HA 0.168 nan 4.420 nan 0.000 0.271 321 P C 1.140 178.351 177.300 -0.149 0.000 1.218 321 P CA -0.028 63.095 63.100 0.039 0.000 0.780 321 P CB 1.225 33.035 31.700 0.185 0.000 0.901 322 V N 2.409 122.156 119.914 -0.280 0.000 2.278 322 V HA -0.316 3.806 4.120 0.003 0.000 0.251 322 V C 2.532 178.274 176.094 -0.587 0.000 1.062 322 V CA 2.524 64.415 62.300 -0.681 0.000 1.038 322 V CB -1.885 29.021 31.823 -1.528 0.000 0.646 322 V HN 0.754 nan 8.190 nan 0.000 0.447 323 H N 0.394 119.191 119.070 -0.454 0.000 2.457 323 H HA -0.112 4.446 4.556 0.003 0.000 0.297 323 H C 1.797 177.096 175.328 -0.048 0.000 1.092 323 H CA 1.707 57.670 56.048 -0.141 0.000 1.309 323 H CB -0.599 29.216 29.762 0.088 0.000 1.382 323 H HN 0.457 nan 8.280 nan 0.000 0.535 324 L N 1.804 122.716 121.223 -0.517 0.000 2.592 324 L HA 0.107 4.448 4.340 0.003 0.000 0.227 324 L C 0.937 177.702 176.870 -0.175 0.000 1.127 324 L CA 0.110 54.742 54.840 -0.348 0.000 0.884 324 L CB -0.004 41.821 42.059 -0.391 0.000 1.065 324 L HN 0.166 nan 8.230 nan 0.000 0.457 325 S N -0.438 115.171 115.700 -0.152 0.000 2.592 325 S HA 0.214 4.686 4.470 0.003 0.000 0.271 325 S C -1.644 172.924 174.600 -0.054 0.000 1.326 325 S CA -1.106 57.036 58.200 -0.097 0.000 1.024 325 S CB 1.025 64.163 63.200 -0.103 0.000 0.921 325 S HN -0.125 nan 8.310 nan 0.000 0.527 326 P HA -0.038 nan 4.420 nan 0.000 0.218 326 P C 1.531 178.788 177.300 -0.070 0.000 1.148 326 P CA 1.680 64.750 63.100 -0.050 0.000 0.822 326 P CB -0.315 31.355 31.700 -0.050 0.000 0.784 327 A N -1.957 120.802 122.820 -0.103 0.000 1.978 327 A HA -0.210 4.112 4.320 0.003 0.000 0.220 327 A C 1.789 179.162 177.584 -0.352 0.000 1.170 327 A CA 1.664 53.567 52.037 -0.223 0.000 0.636 327 A CB -1.457 17.390 19.000 -0.256 0.000 0.810 327 A HN 0.227 nan 8.150 nan 0.000 0.448 328 Y N -2.352 117.914 120.300 -0.056 0.000 2.638 328 Y HA 0.340 4.891 4.550 0.002 0.000 0.275 328 Y C 2.615 178.531 175.900 0.026 0.000 1.122 328 Y CA 0.093 58.198 58.100 0.008 0.000 1.266 328 Y CB -0.225 38.245 38.460 0.017 0.000 1.317 328 Y HN 0.253 nan 8.280 nan 0.000 0.501 329 A N 0.871 123.773 122.820 0.137 0.000 1.968 329 A HA -0.390 3.931 4.320 0.003 0.000 0.227 329 A C 2.427 180.070 177.584 0.097 0.000 1.381 329 A CA 2.553 54.643 52.037 0.089 0.000 0.697 329 A CB -1.705 17.307 19.000 0.020 0.000 0.836 329 A HN 0.546 nan 8.150 nan 0.000 0.497 330 G N -1.158 107.683 108.800 0.068 0.000 2.501 330 G HA2 -0.079 3.882 3.960 0.003 0.000 0.220 330 G HA3 -0.079 3.882 3.960 0.003 0.000 0.220 330 G C 1.081 176.032 174.900 0.085 0.000 1.114 330 G CA 1.173 46.307 45.100 0.057 0.000 0.757 330 G HN 0.805 nan 8.290 nan 0.000 0.559 331 E N -0.805 119.480 120.200 0.143 0.000 2.641 331 E HA 0.518 4.869 4.350 0.003 0.000 0.224 331 E C 0.770 177.490 176.600 0.200 0.000 0.951 331 E CA -0.062 56.434 56.400 0.161 0.000 1.102 331 E CB 1.019 30.832 29.700 0.189 0.000 1.091 331 E HN 0.317 nan 8.360 nan 0.000 0.507 332 A N 2.133 125.096 122.820 0.238 0.000 2.282 332 A HA 0.655 4.977 4.320 0.003 0.000 0.324 332 A C -2.507 175.194 177.584 0.195 0.000 1.119 332 A CA -1.619 50.577 52.037 0.265 0.000 0.880 332 A CB 0.182 19.428 19.000 0.410 0.000 1.294 332 A HN -0.136 nan 8.150 nan 0.000 0.493 333 P HA 0.303 nan 4.420 nan 0.000 0.271 333 P C -2.547 174.878 177.300 0.209 0.000 1.218 333 P CA -0.895 62.282 63.100 0.128 0.000 0.780 333 P CB -0.310 31.414 31.700 0.039 0.000 0.901 334 P HA 0.048 nan 4.420 nan 0.000 0.270 334 P C -0.133 177.281 177.300 0.191 0.000 1.223 334 P CA -0.082 63.102 63.100 0.139 0.000 0.785 334 P CB 0.403 32.153 31.700 0.082 0.000 0.923 335 E N 0.377 120.664 120.200 0.146 0.000 2.414 335 E HA 0.238 4.590 4.350 0.003 0.000 0.263 335 E C 1.088 177.763 176.600 0.125 0.000 1.000 335 E CA 0.816 57.303 56.400 0.146 0.000 0.914 335 E CB -0.628 29.107 29.700 0.059 0.000 0.948 335 E HN 0.771 nan 8.360 nan 0.000 0.444 336 G N 2.755 111.642 108.800 0.146 0.000 2.213 336 G HA2 -0.345 3.617 3.960 0.003 0.000 0.236 336 G HA3 -0.345 3.617 3.960 0.003 0.000 0.236 336 G C 0.869 175.811 174.900 0.071 0.000 0.991 336 G CA 0.603 45.758 45.100 0.093 0.000 0.629 336 G HN 0.812 nan 8.290 nan 0.000 0.517 337 S N -0.515 115.228 115.700 0.072 0.000 2.548 337 S HA 0.530 5.002 4.470 0.003 0.000 0.215 337 S C 0.919 175.504 174.600 -0.024 0.000 0.976 337 S CA 0.593 58.807 58.200 0.024 0.000 0.908 337 S CB 0.065 63.278 63.200 0.023 0.000 0.781 337 S HN 0.648 nan 8.310 nan 0.000 0.519 338 L N 1.726 122.924 121.223 -0.041 0.000 2.594 338 L HA 0.403 4.745 4.340 0.003 0.000 0.245 338 L C -2.097 174.785 176.870 0.019 0.000 1.460 338 L CA -1.778 53.001 54.840 -0.102 0.000 0.865 338 L CB 1.592 43.417 42.059 -0.389 0.000 1.131 338 L HN -0.004 nan 8.230 nan 0.000 0.506 339 P HA -0.176 nan 4.420 nan 0.000 0.217 339 P C 1.327 178.677 177.300 0.083 0.000 1.148 339 P CA 1.380 64.518 63.100 0.064 0.000 0.828 339 P CB 0.238 31.962 31.700 0.041 0.000 0.783 340 R N -0.130 120.426 120.500 0.094 0.000 2.057 340 R HA 0.037 4.378 4.340 0.003 0.000 0.229 340 R C 2.558 179.013 176.300 0.258 0.000 1.136 340 R CA 1.417 57.612 56.100 0.159 0.000 0.952 340 R CB -1.212 29.194 30.300 0.177 0.000 0.848 340 R HN 0.116 nan 8.270 nan 0.000 0.430 341 A N 1.700 124.647 122.820 0.212 0.000 1.917 341 A HA -0.239 4.083 4.320 0.003 0.000 0.219 341 A C 1.955 179.710 177.584 0.284 0.000 1.182 341 A CA 1.696 53.887 52.037 0.258 0.000 0.633 341 A CB -0.427 18.706 19.000 0.221 0.000 0.819 341 A HN 0.377 nan 8.150 nan 0.000 0.448 342 E N -0.710 119.637 120.200 0.244 0.000 2.051 342 E HA -0.147 4.204 4.350 0.003 0.000 0.192 342 E C 2.327 179.012 176.600 0.142 0.000 0.991 342 E CA 1.269 57.791 56.400 0.203 0.000 0.799 342 E CB -0.243 29.568 29.700 0.184 0.000 0.748 342 E HN 0.598 nan 8.360 nan 0.000 0.449 343 S N -0.019 115.745 115.700 0.106 0.000 2.356 343 S HA -0.160 4.311 4.470 0.003 0.000 0.223 343 S C 1.780 176.392 174.600 0.019 0.000 1.032 343 S CA 0.969 59.187 58.200 0.030 0.000 1.005 343 S CB -0.317 62.861 63.200 -0.036 0.000 0.867 343 S HN 0.208 nan 8.310 nan 0.000 0.449 344 F N 1.895 121.813 119.950 -0.054 0.000 2.095 344 F HA -0.054 4.475 4.527 0.003 0.000 0.298 344 F C 2.680 178.488 175.800 0.014 0.000 1.104 344 F CA 1.198 59.131 58.000 -0.112 0.000 1.232 344 F CB -0.729 37.982 39.000 -0.482 0.000 0.987 344 F HN 0.308 nan 8.300 nan 0.000 0.475 345 A N 0.579 123.570 122.820 0.285 0.000 1.908 345 A HA -0.258 4.064 4.320 0.003 0.000 0.218 345 A C 2.204 179.871 177.584 0.138 0.000 1.181 345 A CA 2.084 54.262 52.037 0.235 0.000 0.627 345 A CB -0.847 18.278 19.000 0.208 0.000 0.818 345 A HN 0.515 nan 8.150 nan 0.000 0.445 346 R N -0.868 119.692 120.500 0.100 0.000 2.200 346 R HA 0.033 4.375 4.340 0.003 0.000 0.208 346 R C 1.583 177.904 176.300 0.035 0.000 1.033 346 R CA 1.446 57.580 56.100 0.056 0.000 1.000 346 R CB -0.229 30.098 30.300 0.045 0.000 0.906 346 R HN 0.593 nan 8.270 nan 0.000 0.462 347 Q N 1.066 120.884 119.800 0.029 0.000 2.378 347 Q HA 0.136 4.478 4.340 0.003 0.000 0.229 347 Q C 0.545 176.547 176.000 0.003 0.000 0.882 347 Q CA 0.231 56.033 55.803 -0.001 0.000 0.936 347 Q CB 1.216 29.925 28.738 -0.049 0.000 1.092 347 Q HN 0.284 nan 8.270 nan 0.000 0.535 348 V N 0.253 120.196 119.914 0.049 0.000 2.872 348 V HA 0.292 4.413 4.120 0.003 0.000 0.307 348 V C -0.355 175.733 176.094 -0.009 0.000 1.072 348 V CA -0.456 61.874 62.300 0.050 0.000 1.148 348 V CB 0.625 32.541 31.823 0.155 0.000 0.954 348 V HN 0.108 nan 8.190 nan 0.000 0.490 349 L N 3.925 125.129 121.223 -0.032 0.000 2.543 349 L HA 0.664 5.006 4.340 0.003 0.000 0.265 349 L C -0.174 176.684 176.870 -0.020 0.000 0.945 349 L CA 0.128 54.937 54.840 -0.051 0.000 0.869 349 L CB 2.330 44.342 42.059 -0.077 0.000 1.294 349 L HN 0.908 nan 8.230 nan 0.000 0.405 350 S N 5.359 121.079 115.700 0.034 0.000 2.480 350 S HA 0.727 5.198 4.470 0.003 0.000 0.286 350 S C -0.354 174.408 174.600 0.270 0.000 1.180 350 S CA -0.649 57.653 58.200 0.169 0.000 1.075 350 S CB 0.937 64.367 63.200 0.384 0.000 0.996 350 S HN 0.528 nan 8.310 nan 0.000 0.487 351 L N 3.126 124.452 121.223 0.173 0.000 2.343 351 L HA 0.464 4.805 4.340 0.003 0.000 0.275 351 L C -2.390 174.510 176.870 0.049 0.000 1.056 351 L CA -2.726 52.144 54.840 0.050 0.000 0.804 351 L CB 0.353 42.206 42.059 -0.343 0.000 1.203 351 L HN 0.304 nan 8.230 nan 0.000 0.440 352 P HA 0.134 nan 4.420 nan 0.000 0.262 352 P C -0.763 176.484 177.300 -0.087 0.000 1.182 352 P CA 0.572 63.593 63.100 -0.131 0.000 0.761 352 P CB 0.629 32.334 31.700 0.007 0.000 0.795 353 I N 1.565 121.975 120.570 -0.266 0.000 2.842 353 I HA 0.714 4.886 4.170 0.003 0.000 0.297 353 I C -0.622 175.386 176.117 -0.183 0.000 1.380 353 I CA -0.224 61.004 61.300 -0.121 0.000 1.018 353 I CB 2.154 40.180 38.000 0.043 0.000 1.311 353 I HN 0.630 nan 8.210 nan 0.000 0.439 354 G N 5.201 113.928 108.800 -0.121 0.000 2.339 354 G HA2 0.205 4.166 3.960 0.003 0.000 0.302 354 G HA3 0.205 4.166 3.960 0.003 0.000 0.302 354 G C -3.012 171.759 174.900 -0.215 0.000 1.425 354 G CA -0.489 44.536 45.100 -0.124 0.000 0.899 354 G HN 0.315 nan 8.290 nan 0.000 0.619 355 P HA 0.034 nan 4.420 nan 0.000 0.239 355 P C 0.507 177.161 177.300 -1.077 0.000 1.184 355 P CA 1.128 63.780 63.100 -0.746 0.000 0.760 355 P CB -0.105 30.892 31.700 -1.172 0.000 0.884 356 H N -1.845 117.024 119.070 -0.335 0.000 2.581 356 H HA 0.311 4.868 4.556 0.003 0.000 0.275 356 H C 0.096 175.313 175.328 -0.185 0.000 1.126 356 H CA -0.583 55.297 56.048 -0.280 0.000 1.097 356 H CB 0.190 29.778 29.762 -0.291 0.000 1.626 356 H HN 0.009 nan 8.280 nan 0.000 0.565 357 L N 1.690 122.830 121.223 -0.137 0.000 2.289 357 L HA 0.338 4.680 4.340 0.003 0.000 0.285 357 L C -0.262 176.527 176.870 -0.135 0.000 1.049 357 L CA -0.364 54.406 54.840 -0.117 0.000 0.804 357 L CB 1.161 43.144 42.059 -0.126 0.000 1.195 357 L HN 0.105 nan 8.230 nan 0.000 0.428 358 E N 2.936 123.069 120.200 -0.113 0.000 2.250 358 E HA 0.319 4.671 4.350 0.003 0.000 0.269 358 E C 0.429 176.944 176.600 -0.141 0.000 1.018 358 E CA -0.565 55.765 56.400 -0.116 0.000 0.873 358 E CB 1.414 31.064 29.700 -0.084 0.000 1.134 358 E HN 0.539 nan 8.360 nan 0.000 0.403 359 R N 2.131 122.545 120.500 -0.144 0.000 2.119 359 R HA -0.153 4.189 4.340 0.003 0.000 0.246 359 R C -0.932 175.279 176.300 -0.149 0.000 1.146 359 R CA 1.968 57.968 56.100 -0.166 0.000 0.962 359 R CB -0.912 29.306 30.300 -0.137 0.000 0.863 359 R HN 0.370 nan 8.270 nan 0.000 0.442 360 P HA -0.131 nan 4.420 nan 0.000 0.216 360 P C 0.820 178.070 177.300 -0.082 0.000 1.153 360 P CA 1.478 64.528 63.100 -0.083 0.000 0.848 360 P CB -0.127 31.536 31.700 -0.062 0.000 0.787 361 Q N -0.271 119.478 119.800 -0.085 0.000 2.084 361 Q HA -0.115 4.227 4.340 0.003 0.000 0.202 361 Q C 2.289 178.239 176.000 -0.083 0.000 0.978 361 Q CA 1.734 57.496 55.803 -0.069 0.000 0.844 361 Q CB -0.903 27.798 28.738 -0.062 0.000 0.898 361 Q HN 0.160 nan 8.270 nan 0.000 0.426 362 A N 1.104 123.829 122.820 -0.159 0.000 1.933 362 A HA -0.137 4.185 4.320 0.003 0.000 0.218 362 A C 2.101 179.573 177.584 -0.187 0.000 1.175 362 A CA 1.023 52.903 52.037 -0.261 0.000 0.628 362 A CB -0.629 18.040 19.000 -0.552 0.000 0.814 362 A HN 0.283 nan 8.150 nan 0.000 0.444 363 L N -1.118 120.016 121.223 -0.149 0.000 2.046 363 L HA -0.183 4.159 4.340 0.003 0.000 0.208 363 L C 2.784 179.634 176.870 -0.034 0.000 1.077 363 L CA 1.760 56.546 54.840 -0.091 0.000 0.747 363 L CB -0.489 41.523 42.059 -0.078 0.000 0.896 363 L HN 0.492 nan 8.230 nan 0.000 0.432 364 R N 0.123 120.605 120.500 -0.030 0.000 2.081 364 R HA -0.144 4.198 4.340 0.003 0.000 0.235 364 R C 2.171 178.484 176.300 0.023 0.000 1.131 364 R CA 1.492 57.589 56.100 -0.005 0.000 0.960 364 R CB -0.155 30.136 30.300 -0.014 0.000 0.856 364 R HN 0.147 nan 8.270 nan 0.000 0.436 365 V N 1.173 121.113 119.914 0.042 0.000 2.343 365 V HA -0.249 3.873 4.120 0.003 0.000 0.247 365 V C 2.350 178.515 176.094 0.119 0.000 1.051 365 V CA 1.870 64.227 62.300 0.095 0.000 1.036 365 V CB -0.379 31.555 31.823 0.186 0.000 0.654 365 V HN 0.324 nan 8.190 nan 0.000 0.451 366 I N 0.229 120.875 120.570 0.127 0.000 2.163 366 I HA -0.247 3.924 4.170 0.003 0.000 0.243 366 I C 2.363 178.539 176.117 0.098 0.000 1.085 366 I CA 1.696 63.069 61.300 0.121 0.000 1.347 366 I CB -0.565 37.482 38.000 0.078 0.000 1.044 366 I HN 0.325 nan 8.210 nan 0.000 0.408 367 D N 1.188 121.631 120.400 0.071 0.000 2.116 367 D HA -0.211 4.431 4.640 0.003 0.000 0.193 367 D C 2.261 178.634 176.300 0.122 0.000 0.998 367 D CA 1.804 55.850 54.000 0.077 0.000 0.836 367 D CB -0.343 40.487 40.800 0.051 0.000 0.951 367 D HN 0.392 nan 8.370 nan 0.000 0.449 368 A N 0.753 123.645 122.820 0.120 0.000 1.902 368 A HA -0.141 4.180 4.320 0.003 0.000 0.217 368 A C 2.600 180.368 177.584 0.306 0.000 1.181 368 A CA 1.345 53.492 52.037 0.183 0.000 0.623 368 A CB -0.766 18.255 19.000 0.035 0.000 0.818 368 A HN 0.154 nan 8.150 nan 0.000 0.443 369 V N 0.120 120.162 119.914 0.214 0.000 2.295 369 V HA -0.279 3.842 4.120 0.003 0.000 0.246 369 V C 2.651 178.901 176.094 0.260 0.000 1.049 369 V CA 2.238 64.681 62.300 0.237 0.000 1.024 369 V CB -0.833 31.082 31.823 0.153 0.000 0.648 369 V HN 0.535 nan 8.190 nan 0.000 0.447 370 R N 0.410 121.019 120.500 0.181 0.000 2.083 370 R HA -0.245 4.096 4.340 0.003 0.000 0.237 370 R C 2.385 178.760 176.300 0.125 0.000 1.137 370 R CA 1.985 58.167 56.100 0.136 0.000 0.951 370 R CB -0.526 29.830 30.300 0.094 0.000 0.851 370 R HN 0.853 nan 8.270 nan 0.000 0.434 371 E N 0.061 120.355 120.200 0.156 0.000 2.085 371 E HA -0.259 4.093 4.350 0.003 0.000 0.194 371 E C 1.904 178.528 176.600 0.040 0.000 0.994 371 E CA 1.324 57.797 56.400 0.121 0.000 0.801 371 E CB -0.612 29.197 29.700 0.182 0.000 0.743 371 E HN 0.469 nan 8.360 nan 0.000 0.453 372 W N 1.820 123.037 121.300 -0.139 0.000 2.355 372 W HA -0.068 4.594 4.660 0.003 0.000 0.309 372 W C 2.530 178.957 176.519 -0.153 0.000 1.206 372 W CA 2.457 59.593 57.345 -0.347 0.000 1.284 372 W CB -0.501 28.761 29.460 -0.330 0.000 1.145 372 W HN 0.199 nan 8.180 nan 0.000 0.502 373 A N 0.382 123.220 122.820 0.029 0.000 1.940 373 A HA -0.249 4.072 4.320 0.003 0.000 0.219 373 A C 1.803 179.244 177.584 -0.239 0.000 1.176 373 A CA 2.055 53.994 52.037 -0.163 0.000 0.631 373 A CB -0.843 18.205 19.000 0.081 0.000 0.814 373 A HN 0.545 nan 8.150 nan 0.000 0.446 374 E N -0.517 119.602 120.200 -0.136 0.000 2.072 374 E HA -0.158 4.193 4.350 0.003 0.000 0.191 374 E C 2.346 178.838 176.600 -0.180 0.000 0.985 374 E CA 0.957 57.285 56.400 -0.120 0.000 0.801 374 E CB -0.174 29.496 29.700 -0.049 0.000 0.750 374 E HN 0.563 nan 8.360 nan 0.000 0.452 375 R N 0.908 121.267 120.500 -0.236 0.000 2.075 375 R HA -0.037 4.304 4.340 0.003 0.000 0.230 375 R C 1.452 177.551 176.300 -0.336 0.000 1.140 375 R CA 0.723 56.672 56.100 -0.251 0.000 0.928 375 R CB -0.522 29.617 30.300 -0.269 0.000 0.834 375 R HN -0.017 nan 8.270 nan 0.000 0.429 376 V N 0.000 119.560 119.914 -0.590 0.000 2.409 376 V HA 0.000 4.122 4.120 0.003 0.000 0.244 376 V CA 0.000 61.898 62.300 -0.670 0.000 1.235 376 V CB 0.000 31.006 31.823 -1.362 0.000 1.184 376 V HN 0.000 nan 8.190 nan 0.000 0.556