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 1i7s_1_A DATA FIRST_RESID 4 DATA SEQUENCE TKPQLTLLKV QASYRGDPTT LFHQLCGARP ATLLLESAEX XXXXXLQSLL DATA SEQUENCE VIDSALRITA LGHTVSVQAL TANGPALLPL LDEALPPEVR NQARPNGREL DATA SEQUENCE TFPAIDAVQD EDARLRSLSV FDALRTILTL VDSPADEREA VMLGGLFAYD DATA SEQUENCE LVAGFENLPA LRQDQRCPDF CFYLAETLLV LDHQRGSARL QASVFSEQAS DATA SEQUENCE EAQRLQHRLE QLQAELQQPP QPIPHQKLEN MQLSCNQSDE EYGAVVSELQ DATA SEQUENCE EAIRQGEIFQ VVPSRRFSLP CPAPLGPYQT LKDNNPSPYM FFMQDDDFTL DATA SEQUENCE FGASPESALK YDAGNRQIEI YPIAGTRPRG RRADGSLDLD LDSRIELEMR DATA SEQUENCE TDHKELAEHL MLVDLARNDL ARICQAGSRY VADLTKVDRY SFVMHLVSRV DATA SEQUENCE VGTLRADLDV LHAYQACMNM GTLSGAPKVR AMQLIAALRS TRRGSYGGRV DATA SEQUENCE GYFTAVRNLD TCIVIRSAYV EDGHRTVQAG AGVVQDSIPE READETRNKA DATA SEQUENCE RAVLRAIATA HHAKEVF 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.715 174.700 0.025 0.000 1.109 4 T CA 0.000 62.113 62.100 0.022 0.000 1.349 4 T CB 0.000 68.882 68.868 0.023 0.000 0.612 5 K N 1.626 122.043 120.400 0.029 0.000 2.219 5 K HA 0.518 4.835 4.320 -0.006 0.000 0.258 5 K C -2.525 174.096 176.600 0.036 0.000 1.008 5 K CA -1.128 55.179 56.287 0.034 0.000 0.928 5 K CB 0.154 32.677 32.500 0.038 0.000 0.983 5 K HN 0.299 nan 8.250 nan 0.000 0.484 6 P HA -0.044 nan 4.420 nan 0.000 0.268 6 P C -1.028 176.301 177.300 0.048 0.000 1.208 6 P CA -0.001 63.126 63.100 0.044 0.000 0.777 6 P CB 0.521 32.255 31.700 0.056 0.000 0.875 7 Q N 1.202 121.024 119.800 0.037 0.000 2.257 7 Q HA 0.428 4.764 4.340 -0.006 0.000 0.255 7 Q C -0.695 175.324 176.000 0.033 0.000 0.920 7 Q CA -0.476 55.347 55.803 0.034 0.000 0.927 7 Q CB 0.774 29.523 28.738 0.019 0.000 1.229 7 Q HN 0.369 nan 8.270 nan 0.000 0.433 8 L N 2.349 123.598 121.223 0.043 0.000 2.380 8 L HA 0.402 4.738 4.340 -0.006 0.000 0.273 8 L C -0.677 176.182 176.870 -0.019 0.000 1.138 8 L CA 0.180 55.036 54.840 0.027 0.000 0.832 8 L CB 0.895 42.997 42.059 0.072 0.000 1.124 8 L HN 0.521 nan 8.230 nan 0.000 0.454 9 T N 6.123 120.636 114.554 -0.068 0.000 2.758 9 T HA 0.387 4.733 4.350 -0.006 0.000 0.285 9 T C -0.572 174.067 174.700 -0.102 0.000 0.981 9 T CA -0.262 61.794 62.100 -0.073 0.000 0.965 9 T CB 1.144 69.965 68.868 -0.078 0.000 0.927 9 T HN 0.375 nan 8.240 nan 0.000 0.448 10 L N 5.732 126.912 121.223 -0.071 0.000 2.297 10 L HA 0.462 4.798 4.340 -0.006 0.000 0.277 10 L C -0.545 176.285 176.870 -0.067 0.000 1.040 10 L CA -0.368 54.428 54.840 -0.074 0.000 0.867 10 L CB 0.160 42.192 42.059 -0.045 0.000 1.244 10 L HN 0.605 nan 8.230 nan 0.000 0.433 11 L N 5.798 126.971 121.223 -0.083 0.000 2.536 11 L HA 0.195 4.531 4.340 -0.006 0.000 0.282 11 L C 0.427 177.264 176.870 -0.056 0.000 1.147 11 L CA 0.020 54.818 54.840 -0.070 0.000 0.936 11 L CB -0.454 41.555 42.059 -0.084 0.000 1.279 11 L HN 0.547 nan 8.230 nan 0.000 0.461 12 K N 2.644 123.019 120.400 -0.042 0.000 2.098 12 K HA 0.731 5.048 4.320 -0.006 0.000 0.257 12 K C -0.620 175.963 176.600 -0.028 0.000 0.999 12 K CA -0.707 55.560 56.287 -0.033 0.000 0.924 12 K CB 2.323 34.808 32.500 -0.025 0.000 1.028 12 K HN 0.213 nan 8.250 nan 0.000 0.466 13 V N 1.223 121.123 119.914 -0.023 0.000 3.087 13 V HA 0.129 4.246 4.120 -0.006 0.000 0.306 13 V C -1.321 174.765 176.094 -0.012 0.000 1.187 13 V CA -1.131 61.158 62.300 -0.018 0.000 0.999 13 V CB 2.172 33.983 31.823 -0.020 0.000 1.049 13 V HN 0.850 nan 8.190 nan 0.000 0.431 14 Q N 2.447 122.243 119.800 -0.007 0.000 2.245 14 Q HA 0.925 5.261 4.340 -0.006 0.000 0.256 14 Q C -0.628 175.373 176.000 0.002 0.000 0.942 14 Q CA -0.425 55.378 55.803 0.000 0.000 0.896 14 Q CB 2.183 30.922 28.738 0.002 0.000 1.272 14 Q HN 1.222 nan 8.270 nan 0.000 0.442 15 A N 1.219 124.044 122.820 0.009 0.000 2.604 15 A HA 0.656 4.972 4.320 -0.006 0.000 0.295 15 A C -0.868 176.732 177.584 0.027 0.000 1.067 15 A CA -0.703 51.340 52.037 0.009 0.000 0.683 15 A CB 1.215 20.211 19.000 -0.006 0.000 1.281 15 A HN 0.992 nan 8.150 nan 0.000 0.407 16 S N 0.893 116.609 115.700 0.027 0.000 2.546 16 S HA 0.312 4.779 4.470 -0.006 0.000 0.290 16 S C 0.146 174.790 174.600 0.072 0.000 1.290 16 S CA -0.051 58.181 58.200 0.054 0.000 1.069 16 S CB -0.222 63.000 63.200 0.037 0.000 0.846 16 S HN 1.089 nan 8.310 nan 0.000 0.495 17 Y N 2.931 123.227 120.300 -0.005 0.000 2.536 17 Y HA 0.116 4.662 4.550 -0.006 0.000 0.354 17 Y C 0.824 176.727 175.900 0.004 0.000 1.266 17 Y CA 0.488 58.586 58.100 -0.003 0.000 1.494 17 Y CB 0.474 38.934 38.460 0.000 0.000 1.355 17 Y HN 0.629 nan 8.280 nan 0.000 0.683 18 R N 2.051 121.887 120.500 -1.107 0.000 3.039 18 R HA 0.216 4.553 4.340 -0.006 0.000 0.264 18 R C -0.882 174.974 176.300 -0.740 0.000 1.708 18 R CA -0.156 55.568 56.100 -0.626 0.000 1.134 18 R CB 0.806 30.899 30.300 -0.345 0.000 1.386 18 R HN 0.910 nan 8.270 nan 0.000 0.477 19 G N 1.431 110.099 108.800 -0.221 0.000 2.915 19 G HA2 0.323 4.280 3.960 -0.006 0.000 0.298 19 G HA3 0.323 4.280 3.960 -0.006 0.000 0.298 19 G C 0.315 175.243 174.900 0.048 0.000 0.837 19 G CA -0.020 45.148 45.100 0.115 0.000 1.752 19 G HN 0.703 nan 8.290 nan 0.000 0.526 20 D N -0.507 119.892 120.400 -0.001 0.000 2.481 20 D HA 0.000 4.637 4.640 -0.006 0.000 0.568 20 D C -1.145 175.170 176.300 0.025 0.000 0.968 20 D CA -0.155 53.854 54.000 0.015 0.000 1.126 20 D CB -0.646 40.161 40.800 0.012 0.000 1.576 20 D HN 0.225 nan 8.370 nan 0.000 0.365 21 P HA -0.415 nan 4.420 nan 0.000 0.249 21 P C 1.398 178.767 177.300 0.115 0.000 0.736 21 P CA 3.423 66.571 63.100 0.079 0.000 1.064 21 P CB -1.157 30.613 31.700 0.117 0.000 0.752 22 T N -1.708 112.907 114.554 0.102 0.000 2.624 22 T HA -0.214 4.133 4.350 -0.006 0.000 0.268 22 T C 1.745 176.502 174.700 0.094 0.000 1.041 22 T CA 2.532 64.692 62.100 0.099 0.000 1.159 22 T CB -1.192 67.708 68.868 0.055 0.000 0.863 22 T HN 0.330 nan 8.240 nan 0.000 0.434 23 T N 1.421 116.015 114.554 0.066 0.000 2.867 23 T HA 0.036 4.383 4.350 -0.006 0.000 0.268 23 T C 1.848 176.626 174.700 0.130 0.000 1.057 23 T CA 0.544 62.697 62.100 0.090 0.000 1.136 23 T CB -0.348 68.550 68.868 0.051 0.000 0.874 23 T HN 0.165 nan 8.240 nan 0.000 0.466 24 L N 0.527 121.809 121.223 0.098 0.000 2.083 24 L HA 0.072 4.408 4.340 -0.006 0.000 0.209 24 L C 1.887 178.815 176.870 0.097 0.000 1.083 24 L CA 1.691 56.570 54.840 0.066 0.000 0.752 24 L CB -0.762 41.314 42.059 0.029 0.000 0.899 24 L HN 0.324 nan 8.230 nan 0.000 0.433 25 F N -0.411 119.547 119.950 0.014 0.000 2.102 25 F HA -0.258 4.266 4.527 -0.005 0.000 0.298 25 F C 2.629 178.446 175.800 0.027 0.000 1.105 25 F CA 1.992 60.002 58.000 0.016 0.000 1.239 25 F CB -0.502 38.504 39.000 0.010 0.000 0.991 25 F HN 0.359 nan 8.300 nan 0.000 0.474 26 H N 0.379 119.552 119.070 0.172 0.000 2.394 26 H HA -0.243 4.309 4.556 -0.006 0.000 0.297 26 H C 2.318 177.610 175.328 -0.060 0.000 1.113 26 H CA 2.499 58.578 56.048 0.052 0.000 1.277 26 H CB -0.526 29.258 29.762 0.037 0.000 1.370 26 H HN 0.546 nan 8.280 nan 0.000 0.506 27 Q N -0.039 119.700 119.800 -0.101 0.000 1.990 27 Q HA -0.081 4.255 4.340 -0.006 0.000 0.200 27 Q C 1.817 177.691 176.000 -0.209 0.000 0.980 27 Q CA 1.832 57.527 55.803 -0.179 0.000 0.832 27 Q CB 0.026 28.715 28.738 -0.081 0.000 0.897 27 Q HN 0.651 nan 8.270 nan 0.000 0.427 28 L N -1.282 119.819 121.223 -0.203 0.000 2.627 28 L HA 0.203 4.539 4.340 -0.006 0.000 0.232 28 L C 1.049 177.736 176.870 -0.305 0.000 1.150 28 L CA -0.342 54.369 54.840 -0.215 0.000 0.917 28 L CB 0.263 42.225 42.059 -0.161 0.000 1.104 28 L HN 0.226 nan 8.230 nan 0.000 0.445 29 C N -1.099 117.944 119.300 -0.428 0.000 4.049 29 C HA 0.502 4.959 4.460 -0.006 0.000 0.493 29 C C 1.942 176.744 174.990 -0.314 0.000 1.535 29 C CA -0.006 58.718 59.018 -0.491 0.000 2.218 29 C CB -0.005 27.084 27.740 -1.086 0.000 3.323 29 C HN 0.743 nan 8.230 nan 0.000 0.654 30 G N 2.050 110.682 108.800 -0.280 0.000 2.698 30 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.337 30 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.337 30 G C 1.039 175.940 174.900 0.001 0.000 1.286 30 G CA 1.127 46.133 45.100 -0.158 0.000 1.000 30 G HN 1.249 nan 8.290 nan 0.000 0.547 31 A N 0.099 122.921 122.820 0.002 0.000 2.308 31 A HA 0.471 4.787 4.320 -0.006 0.000 0.217 31 A C 1.351 178.948 177.584 0.022 0.000 1.216 31 A CA 0.690 52.760 52.037 0.054 0.000 0.864 31 A CB 0.035 19.060 19.000 0.041 0.000 0.902 31 A HN 0.574 nan 8.150 nan 0.000 0.499 32 R N 1.571 122.053 120.500 -0.030 0.000 2.538 32 R HA 0.146 4.483 4.340 -0.006 0.000 0.282 32 R C -2.327 173.944 176.300 -0.048 0.000 1.009 32 R CA -1.044 55.022 56.100 -0.057 0.000 1.063 32 R CB 0.163 30.404 30.300 -0.098 0.000 0.945 32 R HN 0.322 nan 8.270 nan 0.000 0.414 33 P HA 0.004 nan 4.420 nan 0.000 0.275 33 P C -0.450 176.708 177.300 -0.237 0.000 1.266 33 P CA -0.068 62.960 63.100 -0.120 0.000 0.793 33 P CB 0.628 32.257 31.700 -0.119 0.000 1.074 34 A N -1.197 121.358 122.820 -0.442 0.000 2.822 34 A HA -0.117 4.199 4.320 -0.006 0.000 0.287 34 A C 0.518 177.649 177.584 -0.756 0.000 1.479 34 A CA 1.352 52.668 52.037 -1.202 0.000 0.779 34 A CB -2.875 15.570 19.000 -0.925 0.000 1.022 34 A HN 0.788 nan 8.150 nan 0.000 0.532 35 T N -2.547 111.916 114.554 -0.152 0.000 2.912 35 T HA 0.801 5.148 4.350 -0.006 0.000 0.288 35 T C -0.623 174.384 174.700 0.511 0.000 1.030 35 T CA -0.406 61.799 62.100 0.175 0.000 1.020 35 T CB 2.129 71.065 68.868 0.113 0.000 1.056 35 T HN 1.628 nan 8.240 nan 0.000 0.480 36 L N 1.849 123.412 121.223 0.566 0.000 2.482 36 L HA 0.774 5.110 4.340 -0.006 0.000 0.263 36 L C -2.035 175.083 176.870 0.413 0.000 0.957 36 L CA -0.994 54.120 54.840 0.456 0.000 0.836 36 L CB 2.101 44.373 42.059 0.355 0.000 1.324 36 L HN 0.845 nan 8.230 nan 0.000 0.406 37 L N 5.742 127.077 121.223 0.187 0.000 2.325 37 L HA 0.642 4.978 4.340 -0.006 0.000 0.281 37 L C -1.689 175.281 176.870 0.166 0.000 1.004 37 L CA -0.169 54.737 54.840 0.110 0.000 0.823 37 L CB 1.444 43.342 42.059 -0.268 0.000 1.236 37 L HN 0.601 nan 8.230 nan 0.000 0.415 38 L N 5.415 126.757 121.223 0.198 0.000 2.387 38 L HA 0.489 4.826 4.340 -0.006 0.000 0.259 38 L C -0.120 176.872 176.870 0.204 0.000 1.050 38 L CA -0.219 54.768 54.840 0.245 0.000 0.922 38 L CB 1.043 43.241 42.059 0.232 0.000 1.280 38 L HN 0.654 nan 8.230 nan 0.000 0.449 39 E N 1.475 121.810 120.200 0.225 0.000 2.197 39 E HA 0.394 4.741 4.350 -0.006 0.000 0.281 39 E C -0.713 175.962 176.600 0.125 0.000 0.995 39 E CA -0.306 56.210 56.400 0.193 0.000 0.808 39 E CB 1.447 31.279 29.700 0.220 0.000 1.093 39 E HN 0.405 nan 8.360 nan 0.000 0.394 40 S N 1.919 117.667 115.700 0.079 0.000 2.617 40 S HA 0.455 4.921 4.470 -0.006 0.000 0.283 40 S C 0.011 174.505 174.600 -0.176 0.000 1.189 40 S CA -0.566 57.603 58.200 -0.052 0.000 1.036 40 S CB 1.745 64.924 63.200 -0.034 0.000 1.014 40 S HN 0.618 nan 8.310 nan 0.000 0.522 41 A N 1.688 124.400 122.820 -0.179 0.000 2.842 41 A HA 0.635 4.952 4.320 -0.006 0.000 0.298 41 A C -0.021 177.414 177.584 -0.250 0.000 1.293 41 A CA -0.239 51.670 52.037 -0.214 0.000 0.959 41 A CB -0.675 18.223 19.000 -0.171 0.000 1.119 41 A HN 0.755 nan 8.150 nan 0.000 0.564 50 Q N 1.291 121.193 119.800 0.169 0.000 3.001 50 Q HA -0.097 4.239 4.340 -0.006 0.000 0.109 50 Q C -1.528 174.518 176.000 0.076 0.000 1.575 50 Q CA 0.445 56.226 55.803 -0.038 0.000 0.345 50 Q CB -0.015 28.728 28.738 0.008 0.000 0.591 50 Q HN 0.595 nan 8.270 nan 0.000 0.321 51 S N 3.491 119.147 115.700 -0.074 0.000 2.594 51 S HA 0.778 5.244 4.470 -0.006 0.000 0.296 51 S C -1.438 173.166 174.600 0.007 0.000 1.124 51 S CA -0.645 57.608 58.200 0.088 0.000 1.011 51 S CB 0.879 64.210 63.200 0.218 0.000 1.016 51 S HN 0.406 nan 8.310 nan 0.000 0.485 52 L N 3.910 125.155 121.223 0.037 0.000 2.313 52 L HA 0.619 4.956 4.340 -0.006 0.000 0.283 52 L C -1.063 175.856 176.870 0.083 0.000 1.013 52 L CA -0.373 54.470 54.840 0.004 0.000 0.816 52 L CB 1.260 43.261 42.059 -0.096 0.000 1.236 52 L HN 0.425 nan 8.230 nan 0.000 0.419 53 L N 4.248 125.521 121.223 0.084 0.000 2.318 53 L HA 0.448 4.784 4.340 -0.006 0.000 0.277 53 L C -0.397 176.541 176.870 0.114 0.000 1.008 53 L CA -0.137 54.798 54.840 0.159 0.000 0.846 53 L CB 1.747 43.895 42.059 0.149 0.000 1.220 53 L HN 0.259 nan 8.230 nan 0.000 0.423 54 V N 5.609 125.621 119.914 0.164 0.000 2.405 54 V HA 0.154 4.271 4.120 -0.006 0.000 0.264 54 V C 1.282 177.433 176.094 0.095 0.000 1.048 54 V CA 0.268 62.645 62.300 0.128 0.000 0.966 54 V CB 0.753 32.692 31.823 0.193 0.000 1.015 54 V HN 0.672 nan 8.190 nan 0.000 0.477 55 I N 2.398 122.979 120.570 0.017 0.000 2.494 55 I HA 0.132 4.299 4.170 -0.006 0.000 0.250 55 I C 0.200 176.276 176.117 -0.068 0.000 1.112 55 I CA 0.884 62.149 61.300 -0.058 0.000 1.438 55 I CB 0.292 38.249 38.000 -0.073 0.000 1.111 55 I HN 0.533 nan 8.210 nan 0.000 0.431 56 D N 0.292 120.672 120.400 -0.034 0.000 2.879 56 D HA 0.400 5.036 4.640 -0.006 0.000 0.236 56 D C -1.020 175.281 176.300 0.001 0.000 1.171 56 D CA -0.135 53.842 54.000 -0.037 0.000 0.868 56 D CB 2.315 43.094 40.800 -0.035 0.000 1.598 56 D HN -0.145 nan 8.370 nan 0.000 0.497 57 S N 0.120 115.811 115.700 -0.015 0.000 2.503 57 S HA 0.606 5.072 4.470 -0.006 0.000 0.301 57 S C 0.814 175.441 174.600 0.045 0.000 1.087 57 S CA -0.675 57.544 58.200 0.032 0.000 1.042 57 S CB 2.128 65.316 63.200 -0.021 0.000 1.043 57 S HN 0.533 nan 8.310 nan 0.000 0.489 58 A N 2.073 124.962 122.820 0.116 0.000 1.903 58 A HA 0.396 4.712 4.320 -0.006 0.000 0.213 58 A C 0.415 178.038 177.584 0.065 0.000 1.185 58 A CA 0.732 52.843 52.037 0.123 0.000 0.628 58 A CB -0.158 18.999 19.000 0.262 0.000 0.830 58 A HN 0.684 nan 8.150 nan 0.000 0.446 59 L N -0.789 120.465 121.223 0.052 0.000 2.354 59 L HA 0.523 4.860 4.340 -0.006 0.000 0.269 59 L C -0.115 176.814 176.870 0.098 0.000 1.005 59 L CA -0.781 54.088 54.840 0.049 0.000 0.819 59 L CB 2.120 44.188 42.059 0.015 0.000 1.311 59 L HN 0.321 nan 8.230 nan 0.000 0.423 60 R N 3.009 123.575 120.500 0.111 0.000 2.494 60 R HA 0.769 5.105 4.340 -0.006 0.000 0.305 60 R C -1.540 174.883 176.300 0.206 0.000 0.959 60 R CA -0.401 55.818 56.100 0.200 0.000 0.864 60 R CB 1.220 31.597 30.300 0.129 0.000 1.159 60 R HN 0.583 nan 8.270 nan 0.000 0.446 61 I N 3.651 124.385 120.570 0.274 0.000 2.499 61 I HA 0.356 4.522 4.170 -0.006 0.000 0.288 61 I C -0.422 175.933 176.117 0.397 0.000 1.048 61 I CA -0.822 60.660 61.300 0.302 0.000 1.062 61 I CB 2.253 40.442 38.000 0.316 0.000 1.238 61 I HN 0.734 nan 8.210 nan 0.000 0.426 62 T N 2.193 116.934 114.554 0.312 0.000 2.906 62 T HA 0.926 5.273 4.350 -0.006 0.000 0.295 62 T C -0.780 173.851 174.700 -0.116 0.000 1.075 62 T CA -0.846 61.376 62.100 0.202 0.000 1.005 62 T CB 2.362 71.309 68.868 0.132 0.000 1.136 62 T HN 0.770 nan 8.240 nan 0.000 0.498 63 A N 1.209 123.726 122.820 -0.505 0.000 2.435 63 A HA 0.855 5.171 4.320 -0.006 0.000 0.304 63 A C -1.578 175.795 177.584 -0.352 0.000 1.064 63 A CA -0.852 50.799 52.037 -0.643 0.000 0.727 63 A CB 1.747 19.864 19.000 -1.473 0.000 1.284 63 A HN 1.059 nan 8.150 nan 0.000 0.415 64 L N 1.936 123.040 121.223 -0.198 0.000 2.541 64 L HA 0.642 4.978 4.340 -0.006 0.000 0.266 64 L C 0.626 177.466 176.870 -0.049 0.000 0.966 64 L CA 1.484 56.262 54.840 -0.102 0.000 0.871 64 L CB 1.161 43.193 42.059 -0.046 0.000 1.232 64 L HN 2.203 nan 8.230 nan 0.000 0.408 65 G N 3.377 112.150 108.800 -0.046 0.000 2.550 65 G HA2 -0.328 3.628 3.960 -0.006 0.000 0.277 65 G HA3 -0.328 3.628 3.960 -0.006 0.000 0.277 65 G C 0.669 175.601 174.900 0.053 0.000 1.190 65 G CA 0.512 45.629 45.100 0.029 0.000 0.971 65 G HN 0.839 nan 8.290 nan 0.000 0.559 66 H N 0.172 119.213 119.070 -0.048 0.000 2.539 66 H HA 0.282 4.835 4.556 -0.006 0.000 0.267 66 H C 0.695 176.100 175.328 0.128 0.000 0.982 66 H CA 0.601 56.659 56.048 0.016 0.000 1.146 66 H CB 0.122 29.919 29.762 0.059 0.000 1.382 66 H HN 0.287 nan 8.280 nan 0.000 0.577 67 T N 2.356 117.006 114.554 0.161 0.000 2.795 67 T HA 0.321 4.668 4.350 -0.006 0.000 0.282 67 T C -0.037 174.716 174.700 0.088 0.000 0.980 67 T CA -0.512 61.669 62.100 0.134 0.000 1.012 67 T CB 2.081 70.979 68.868 0.049 0.000 0.936 67 T HN -0.053 nan 8.240 nan 0.000 0.457 68 V N 3.392 123.409 119.914 0.172 0.000 2.513 68 V HA 0.494 4.610 4.120 -0.006 0.000 0.299 68 V C 0.024 176.184 176.094 0.110 0.000 1.035 68 V CA -0.775 61.595 62.300 0.117 0.000 0.889 68 V CB 2.037 34.036 31.823 0.295 0.000 0.988 68 V HN 0.919 nan 8.190 nan 0.000 0.440 69 S N 3.288 119.040 115.700 0.086 0.000 2.451 69 S HA 0.718 5.184 4.470 -0.006 0.000 0.301 69 S C -0.463 174.211 174.600 0.123 0.000 1.116 69 S CA -0.587 57.667 58.200 0.090 0.000 1.093 69 S CB 1.604 64.846 63.200 0.071 0.000 1.017 69 S HN 0.525 nan 8.310 nan 0.000 0.482 70 V N 3.232 123.208 119.914 0.104 0.000 2.483 70 V HA 0.540 4.656 4.120 -0.006 0.000 0.297 70 V C -0.854 175.285 176.094 0.074 0.000 1.027 70 V CA -0.876 61.487 62.300 0.105 0.000 0.855 70 V CB 1.397 33.280 31.823 0.101 0.000 0.995 70 V HN 0.770 nan 8.190 nan 0.000 0.424 71 Q N 2.665 122.509 119.800 0.073 0.000 2.321 71 Q HA 0.781 5.117 4.340 -0.006 0.000 0.270 71 Q C -0.198 175.828 176.000 0.042 0.000 1.032 71 Q CA -0.184 55.650 55.803 0.051 0.000 0.784 71 Q CB 2.248 31.014 28.738 0.046 0.000 1.264 71 Q HN 1.048 nan 8.270 nan 0.000 0.448 72 A N 2.592 125.432 122.820 0.033 0.000 2.340 72 A HA 0.563 4.879 4.320 -0.006 0.000 0.268 72 A C -0.177 177.421 177.584 0.023 0.000 1.100 72 A CA -0.240 51.816 52.037 0.031 0.000 0.803 72 A CB 0.217 19.236 19.000 0.032 0.000 1.043 72 A HN 0.870 nan 8.150 nan 0.000 0.488 73 L N 1.452 122.689 121.223 0.022 0.000 3.298 73 L HA 0.261 4.597 4.340 -0.006 0.000 0.296 73 L C 0.521 177.398 176.870 0.012 0.000 1.237 73 L CA 0.411 55.255 54.840 0.007 0.000 1.038 73 L CB 0.095 42.146 42.059 -0.014 0.000 1.423 73 L HN 0.937 nan 8.230 nan 0.000 0.605 74 T N -5.547 109.024 114.554 0.028 0.000 2.665 74 T HA 0.594 4.940 4.350 -0.006 0.000 0.303 74 T C 0.443 175.166 174.700 0.038 0.000 1.334 74 T CA 0.034 62.151 62.100 0.029 0.000 1.011 74 T CB 1.782 70.674 68.868 0.041 0.000 1.573 74 T HN -0.212 nan 8.240 nan 0.000 0.492 75 A N 0.263 123.104 122.820 0.034 0.000 2.030 75 A HA 0.171 4.487 4.320 -0.006 0.000 0.215 75 A C 2.049 179.668 177.584 0.059 0.000 1.164 75 A CA 1.389 53.447 52.037 0.036 0.000 0.697 75 A CB -1.206 17.806 19.000 0.021 0.000 0.827 75 A HN 0.803 nan 8.150 nan 0.000 0.457 76 N N 0.678 119.422 118.700 0.072 0.000 2.069 76 N HA -0.111 4.625 4.740 -0.006 0.000 0.191 76 N C 1.764 177.412 175.510 0.230 0.000 1.031 76 N CA 2.271 55.399 53.050 0.130 0.000 0.852 76 N CB -0.605 37.935 38.487 0.089 0.000 1.018 76 N HN 0.295 nan 8.380 nan 0.000 0.423 77 G N 0.785 109.695 108.800 0.184 0.000 2.414 77 G HA2 -0.135 3.821 3.960 -0.006 0.000 0.215 77 G HA3 -0.135 3.821 3.960 -0.006 0.000 0.215 77 G C -0.675 174.267 174.900 0.070 0.000 1.188 77 G CA 0.831 46.007 45.100 0.126 0.000 0.783 77 G HN 0.440 nan 8.290 nan 0.000 0.537 78 P HA -0.111 nan 4.420 nan 0.000 0.217 78 P C 1.914 179.240 177.300 0.043 0.000 1.148 78 P CA 1.917 65.042 63.100 0.042 0.000 0.828 78 P CB -0.160 31.561 31.700 0.036 0.000 0.783 79 A N -0.143 122.713 122.820 0.059 0.000 2.019 79 A HA -0.108 4.208 4.320 -0.006 0.000 0.219 79 A C 2.355 179.972 177.584 0.055 0.000 1.164 79 A CA 1.145 53.218 52.037 0.060 0.000 0.644 79 A CB -1.457 17.590 19.000 0.079 0.000 0.805 79 A HN 0.197 nan 8.150 nan 0.000 0.449 80 L N -0.872 120.380 121.223 0.049 0.000 2.341 80 L HA 0.032 4.368 4.340 -0.006 0.000 0.214 80 L C 2.217 179.095 176.870 0.012 0.000 1.115 80 L CA 0.128 54.978 54.840 0.018 0.000 0.820 80 L CB -0.233 41.800 42.059 -0.043 0.000 0.944 80 L HN 0.366 nan 8.230 nan 0.000 0.452 81 L N 0.191 121.426 121.223 0.019 0.000 2.046 81 L HA -0.145 4.191 4.340 -0.006 0.000 0.208 81 L C -0.281 176.601 176.870 0.020 0.000 1.077 81 L CA 1.465 56.317 54.840 0.020 0.000 0.747 81 L CB -1.586 40.486 42.059 0.023 0.000 0.896 81 L HN 0.256 nan 8.230 nan 0.000 0.432 82 P HA -0.106 nan 4.420 nan 0.000 0.218 82 P C 1.841 179.153 177.300 0.020 0.000 1.152 82 P CA 1.125 64.237 63.100 0.019 0.000 0.826 82 P CB 0.067 31.779 31.700 0.020 0.000 0.790 83 L N -1.122 120.115 121.223 0.023 0.000 2.093 83 L HA -0.113 4.223 4.340 -0.006 0.000 0.208 83 L C 2.486 179.370 176.870 0.024 0.000 1.085 83 L CA 1.030 55.885 54.840 0.024 0.000 0.755 83 L CB -1.337 40.738 42.059 0.028 0.000 0.904 83 L HN 0.005 nan 8.230 nan 0.000 0.435 84 L N 0.554 121.791 121.223 0.023 0.000 2.017 84 L HA -0.220 4.116 4.340 -0.006 0.000 0.208 84 L C 2.224 179.109 176.870 0.026 0.000 1.073 84 L CA 2.029 56.887 54.840 0.029 0.000 0.745 84 L CB -0.748 41.331 42.059 0.032 0.000 0.894 84 L HN 0.362 nan 8.230 nan 0.000 0.432 85 D N -0.061 120.349 120.400 0.017 0.000 2.133 85 D HA -0.228 4.408 4.640 -0.006 0.000 0.192 85 D C 1.996 178.302 176.300 0.010 0.000 1.001 85 D CA 1.374 55.379 54.000 0.008 0.000 0.844 85 D CB 0.048 40.852 40.800 0.006 0.000 0.944 85 D HN 0.400 nan 8.370 nan 0.000 0.447 86 E N 0.710 120.920 120.200 0.016 0.000 2.047 86 E HA -0.068 4.279 4.350 -0.006 0.000 0.191 86 E C 2.136 178.750 176.600 0.023 0.000 0.987 86 E CA 0.876 57.287 56.400 0.018 0.000 0.799 86 E CB -0.449 29.262 29.700 0.020 0.000 0.752 86 E HN 0.246 nan 8.360 nan 0.000 0.449 87 A N 1.194 124.032 122.820 0.030 0.000 1.968 87 A HA -0.002 4.315 4.320 -0.006 0.000 0.217 87 A C 1.461 179.074 177.584 0.047 0.000 1.169 87 A CA 0.151 52.212 52.037 0.039 0.000 0.638 87 A CB -0.481 18.544 19.000 0.042 0.000 0.812 87 A HN 0.147 nan 8.150 nan 0.000 0.446 88 L N 1.622 122.872 121.223 0.045 0.000 2.506 88 L HA 0.094 4.430 4.340 -0.006 0.000 0.281 88 L C -1.723 175.173 176.870 0.042 0.000 1.228 88 L CA -1.331 53.541 54.840 0.053 0.000 0.850 88 L CB 0.136 42.208 42.059 0.022 0.000 1.110 88 L HN 0.245 nan 8.230 nan 0.000 0.496 89 P HA 0.062 nan 4.420 nan 0.000 0.271 89 P C -2.143 175.168 177.300 0.019 0.000 1.216 89 P CA -1.328 61.805 63.100 0.054 0.000 0.771 89 P CB 0.415 32.170 31.700 0.091 0.000 0.864 90 P HA -0.223 nan 4.420 nan 0.000 0.218 90 P C 0.965 178.255 177.300 -0.016 0.000 1.154 90 P CA 1.758 64.858 63.100 -0.001 0.000 0.872 90 P CB 0.015 31.719 31.700 0.007 0.000 0.790 91 E N -0.506 119.693 120.200 -0.003 0.000 2.401 91 E HA -0.032 4.315 4.350 -0.006 0.000 0.199 91 E C 0.540 177.098 176.600 -0.070 0.000 1.023 91 E CA 0.215 56.607 56.400 -0.013 0.000 0.859 91 E CB -0.772 28.943 29.700 0.025 0.000 0.780 91 E HN 0.149 nan 8.360 nan 0.000 0.523 92 V N 2.240 122.077 119.914 -0.129 0.000 2.439 92 V HA 0.050 4.167 4.120 -0.006 0.000 0.271 92 V C 0.693 176.644 176.094 -0.239 0.000 1.040 92 V CA -0.182 61.934 62.300 -0.308 0.000 1.002 92 V CB 0.683 32.235 31.823 -0.452 0.000 1.000 92 V HN 0.113 nan 8.190 nan 0.000 0.477 93 R N 4.015 124.376 120.500 -0.231 0.000 2.489 93 R HA 0.128 4.464 4.340 -0.006 0.000 0.287 93 R C -0.004 176.202 176.300 -0.156 0.000 1.053 93 R CA -0.002 56.007 56.100 -0.152 0.000 1.036 93 R CB 0.222 30.449 30.300 -0.122 0.000 0.966 93 R HN 0.642 nan 8.270 nan 0.000 0.432 94 N N 2.673 121.313 118.700 -0.101 0.000 2.372 94 N HA 0.195 4.931 4.740 -0.006 0.000 0.285 94 N C -1.457 174.024 175.510 -0.048 0.000 1.008 94 N CA -0.538 52.466 53.050 -0.076 0.000 0.880 94 N CB 1.920 40.370 38.487 -0.062 0.000 1.239 94 N HN 0.463 nan 8.380 nan 0.000 0.484 95 Q N 0.752 120.531 119.800 -0.036 0.000 2.375 95 Q HA 0.759 5.096 4.340 -0.006 0.000 0.271 95 Q C -1.066 174.928 176.000 -0.009 0.000 1.074 95 Q CA -0.892 54.898 55.803 -0.022 0.000 0.808 95 Q CB 2.323 31.049 28.738 -0.021 0.000 1.327 95 Q HN 0.588 nan 8.270 nan 0.000 0.441 96 A N 2.324 125.141 122.820 -0.005 0.000 2.318 96 A HA 0.848 5.164 4.320 -0.006 0.000 0.324 96 A C -0.736 176.850 177.584 0.004 0.000 1.170 96 A CA -0.653 51.384 52.037 0.001 0.000 0.810 96 A CB 0.655 19.656 19.000 0.001 0.000 1.198 96 A HN 0.784 nan 8.150 nan 0.000 0.484 97 R N 1.398 121.903 120.500 0.009 0.000 2.869 97 R HA 0.633 4.970 4.340 -0.006 0.000 0.263 97 R C -3.052 173.255 176.300 0.012 0.000 1.066 97 R CA -2.170 53.936 56.100 0.010 0.000 0.960 97 R CB -0.056 30.251 30.300 0.012 0.000 1.221 97 R HN 0.293 nan 8.270 nan 0.000 0.474 98 P HA 0.025 nan 4.420 nan 0.000 0.250 98 P C -1.018 176.290 177.300 0.014 0.000 1.161 98 P CA 0.668 63.775 63.100 0.011 0.000 0.863 98 P CB -0.246 31.460 31.700 0.009 0.000 0.827 99 N N 1.398 120.106 118.700 0.015 0.000 2.740 99 N HA -0.150 4.587 4.740 -0.006 0.000 0.248 99 N C 0.364 175.887 175.510 0.023 0.000 1.062 99 N CA 1.360 54.421 53.050 0.018 0.000 0.704 99 N CB -1.073 37.424 38.487 0.016 0.000 0.968 99 N HN 0.662 nan 8.380 nan 0.000 0.547 100 G N -1.452 107.362 108.800 0.023 0.000 2.554 100 G HA2 0.755 4.711 3.960 -0.006 0.000 0.306 100 G HA3 0.755 4.711 3.960 -0.006 0.000 0.306 100 G C -1.570 173.346 174.900 0.027 0.000 1.320 100 G CA -0.834 44.284 45.100 0.030 0.000 0.800 100 G HN 0.082 nan 8.290 nan 0.000 0.481 101 R N -0.525 119.995 120.500 0.033 0.000 2.774 101 R HA 0.667 5.004 4.340 -0.006 0.000 0.272 101 R C -1.664 174.655 176.300 0.032 0.000 1.000 101 R CA -0.848 55.267 56.100 0.026 0.000 0.906 101 R CB 2.180 32.496 30.300 0.026 0.000 1.227 101 R HN 0.574 nan 8.270 nan 0.000 0.468 102 E N 1.532 121.742 120.200 0.017 0.000 2.199 102 E HA 0.497 4.843 4.350 -0.006 0.000 0.265 102 E C -1.190 175.406 176.600 -0.007 0.000 0.882 102 E CA -0.439 55.971 56.400 0.017 0.000 0.759 102 E CB 1.147 30.852 29.700 0.008 0.000 1.148 102 E HN 0.415 nan 8.360 nan 0.000 0.412 103 L N 2.700 123.927 121.223 0.006 0.000 2.342 103 L HA 0.685 5.022 4.340 -0.006 0.000 0.271 103 L C -0.386 176.432 176.870 -0.087 0.000 1.008 103 L CA -0.944 53.845 54.840 -0.085 0.000 0.818 103 L CB 2.333 44.353 42.059 -0.065 0.000 1.296 103 L HN 0.462 nan 8.230 nan 0.000 0.427 104 T N 1.617 116.029 114.554 -0.238 0.000 2.906 104 T HA 0.498 4.844 4.350 -0.006 0.000 0.302 104 T C -0.682 173.872 174.700 -0.243 0.000 1.002 104 T CA -0.351 61.672 62.100 -0.129 0.000 0.988 104 T CB 0.564 69.373 68.868 -0.099 0.000 0.972 104 T HN 0.092 nan 8.240 nan 0.000 0.447 105 F N 5.268 125.245 119.950 0.046 0.000 2.394 105 F HA 0.442 4.965 4.527 -0.005 0.000 0.340 105 F C -1.491 174.370 175.800 0.102 0.000 1.105 105 F CA -2.193 55.854 58.000 0.078 0.000 1.124 105 F CB 0.850 39.907 39.000 0.095 0.000 1.145 105 F HN 0.292 nan 8.300 nan 0.000 0.505 106 P HA 0.221 nan 4.420 nan 0.000 0.274 106 P C -1.142 176.307 177.300 0.247 0.000 1.237 106 P CA -0.484 62.712 63.100 0.160 0.000 0.793 106 P CB 0.991 32.747 31.700 0.094 0.000 0.977 107 A N 3.422 126.376 122.820 0.223 0.000 2.451 107 A HA 0.236 4.552 4.320 -0.006 0.000 0.266 107 A C 0.769 178.405 177.584 0.087 0.000 1.119 107 A CA -0.459 51.694 52.037 0.193 0.000 0.786 107 A CB -0.909 18.213 19.000 0.203 0.000 1.061 107 A HN 0.506 nan 8.150 nan 0.000 0.503 108 I N 2.743 123.334 120.570 0.035 0.000 2.752 108 I HA -0.072 4.095 4.170 -0.006 0.000 0.289 108 I C 0.922 177.052 176.117 0.021 0.000 1.197 108 I CA 0.252 61.569 61.300 0.028 0.000 1.432 108 I CB 0.421 38.420 38.000 -0.000 0.000 1.359 108 I HN 0.692 nan 8.210 nan 0.000 0.571 109 D N 6.282 126.700 120.400 0.030 0.000 2.401 109 D HA 0.043 4.679 4.640 -0.006 0.000 0.254 109 D C 0.721 177.030 176.300 0.015 0.000 1.192 109 D CA 0.012 54.025 54.000 0.022 0.000 0.885 109 D CB 1.404 42.218 40.800 0.023 0.000 1.147 109 D HN 0.694 nan 8.370 nan 0.000 0.478 110 A N 3.932 126.757 122.820 0.008 0.000 2.016 110 A HA -0.010 4.307 4.320 -0.006 0.000 0.217 110 A C 1.349 178.935 177.584 0.004 0.000 1.162 110 A CA 0.253 52.292 52.037 0.004 0.000 0.662 110 A CB 0.180 19.179 19.000 -0.002 0.000 0.812 110 A HN 0.481 nan 8.150 nan 0.000 0.450 111 V N 1.970 121.887 119.914 0.005 0.000 2.055 111 V HA 0.168 4.285 4.120 -0.006 0.000 0.248 111 V C -0.142 175.955 176.094 0.005 0.000 1.476 111 V CA 0.339 62.641 62.300 0.004 0.000 1.417 111 V CB -1.251 30.573 31.823 0.003 0.000 1.465 111 V HN 0.584 nan 8.190 nan 0.000 0.502 112 Q N 1.231 121.033 119.800 0.004 0.000 2.511 112 Q HA 0.383 4.719 4.340 -0.006 0.000 0.289 112 Q C -1.087 174.912 176.000 -0.002 0.000 1.021 112 Q CA -1.071 54.734 55.803 0.003 0.000 0.785 112 Q CB 2.403 31.146 28.738 0.007 0.000 1.472 112 Q HN 0.673 nan 8.270 nan 0.000 0.411 113 D N -0.270 120.126 120.400 -0.006 0.000 2.358 113 D HA -0.004 4.632 4.640 -0.006 0.000 0.244 113 D C 0.560 176.852 176.300 -0.014 0.000 1.163 113 D CA -0.214 53.779 54.000 -0.011 0.000 0.945 113 D CB 0.786 41.577 40.800 -0.015 0.000 1.152 113 D HN 0.333 nan 8.370 nan 0.000 0.451 114 E N 0.406 120.594 120.200 -0.020 0.000 2.118 114 E HA -0.161 4.185 4.350 -0.006 0.000 0.195 114 E C 1.171 177.750 176.600 -0.036 0.000 0.992 114 E CA 1.114 57.499 56.400 -0.025 0.000 0.804 114 E CB -0.174 29.507 29.700 -0.031 0.000 0.741 114 E HN 0.556 nan 8.360 nan 0.000 0.458 115 D N 0.131 120.506 120.400 -0.043 0.000 2.224 115 D HA -0.046 4.590 4.640 -0.006 0.000 0.205 115 D C 1.738 178.006 176.300 -0.054 0.000 0.965 115 D CA 1.106 55.071 54.000 -0.060 0.000 0.852 115 D CB -0.065 40.698 40.800 -0.062 0.000 0.947 115 D HN 0.150 nan 8.370 nan 0.000 0.494 116 A N 0.775 123.576 122.820 -0.031 0.000 1.898 116 A HA -0.095 4.221 4.320 -0.006 0.000 0.214 116 A C 2.178 179.762 177.584 -0.000 0.000 1.183 116 A CA 0.972 52.998 52.037 -0.017 0.000 0.622 116 A CB -0.339 18.657 19.000 -0.006 0.000 0.824 116 A HN 0.059 nan 8.150 nan 0.000 0.444 117 R N -0.712 119.791 120.500 0.005 0.000 2.094 117 R HA -0.181 4.155 4.340 -0.006 0.000 0.239 117 R C 2.020 178.348 176.300 0.046 0.000 1.137 117 R CA 1.853 57.970 56.100 0.029 0.000 0.943 117 R CB -0.497 29.817 30.300 0.025 0.000 0.850 117 R HN 0.430 nan 8.270 nan 0.000 0.433 118 L N 1.098 122.325 121.223 0.006 0.000 2.129 118 L HA -0.166 4.171 4.340 -0.006 0.000 0.212 118 L C 1.699 178.584 176.870 0.024 0.000 1.087 118 L CA 1.846 56.682 54.840 -0.008 0.000 0.757 118 L CB -0.214 41.790 42.059 -0.092 0.000 0.896 118 L HN 0.111 nan 8.230 nan 0.000 0.434 119 R N -1.027 119.472 120.500 -0.001 0.000 2.297 119 R HA 0.170 4.506 4.340 -0.006 0.000 0.197 119 R C 0.849 177.210 176.300 0.102 0.000 0.943 119 R CA 0.089 56.202 56.100 0.022 0.000 1.038 119 R CB -0.013 30.253 30.300 -0.057 0.000 0.957 119 R HN 0.288 nan 8.270 nan 0.000 0.484 120 S N 1.193 116.954 115.700 0.102 0.000 2.580 120 S HA 0.012 4.478 4.470 -0.006 0.000 0.266 120 S C -0.039 174.656 174.600 0.159 0.000 1.354 120 S CA -0.609 57.660 58.200 0.115 0.000 1.008 120 S CB 0.519 63.776 63.200 0.096 0.000 0.898 120 S HN 0.089 nan 8.310 nan 0.000 0.555 121 L N 2.842 124.160 121.223 0.159 0.000 2.540 121 L HA 0.294 4.630 4.340 -0.006 0.000 0.276 121 L C 0.248 177.237 176.870 0.198 0.000 1.212 121 L CA 0.861 55.823 54.840 0.204 0.000 0.893 121 L CB -0.301 41.895 42.059 0.229 0.000 1.138 121 L HN 0.788 nan 8.230 nan 0.000 0.491 122 S N 2.566 118.358 115.700 0.152 0.000 2.638 122 S HA 0.399 4.866 4.470 -0.006 0.000 0.274 122 S C 0.780 175.086 174.600 -0.490 0.000 1.157 122 S CA -0.321 57.898 58.200 0.032 0.000 0.826 122 S CB 0.943 64.379 63.200 0.393 0.000 1.139 122 S HN 1.055 nan 8.310 nan 0.000 0.474 123 V N -0.903 118.595 119.914 -0.694 0.000 2.794 123 V HA -0.019 4.097 4.120 -0.006 0.000 0.260 123 V C 1.641 177.441 176.094 -0.490 0.000 1.103 123 V CA 1.514 63.133 62.300 -1.136 0.000 1.125 123 V CB -1.692 29.776 31.823 -0.592 0.000 0.702 123 V HN 0.748 nan 8.190 nan 0.000 0.494 124 F N 1.110 121.012 119.950 -0.080 0.000 2.293 124 F HA -0.024 4.499 4.527 -0.006 0.000 0.300 124 F C 2.328 178.103 175.800 -0.042 0.000 1.086 124 F CA 1.745 59.768 58.000 0.037 0.000 1.375 124 F CB -0.432 38.551 39.000 -0.028 0.000 1.045 124 F HN 0.202 nan 8.300 nan 0.000 0.516 125 D N 0.207 120.638 120.400 0.052 0.000 2.218 125 D HA -0.142 4.495 4.640 -0.006 0.000 0.204 125 D C 2.340 178.758 176.300 0.197 0.000 0.976 125 D CA 1.152 55.225 54.000 0.122 0.000 0.853 125 D CB -0.221 40.702 40.800 0.206 0.000 0.939 125 D HN 0.292 nan 8.370 nan 0.000 0.481 126 A N 0.817 123.767 122.820 0.217 0.000 1.940 126 A HA -0.144 4.172 4.320 -0.006 0.000 0.219 126 A C 2.359 180.069 177.584 0.210 0.000 1.176 126 A CA 0.938 53.186 52.037 0.351 0.000 0.631 126 A CB -0.608 18.662 19.000 0.451 0.000 0.814 126 A HN 0.197 nan 8.150 nan 0.000 0.446 127 L N -1.489 119.832 121.223 0.163 0.000 2.095 127 L HA -0.068 4.269 4.340 -0.006 0.000 0.204 127 L C 2.706 179.635 176.870 0.098 0.000 1.080 127 L CA 1.439 56.335 54.840 0.093 0.000 0.759 127 L CB -0.482 41.588 42.059 0.017 0.000 0.914 127 L HN 0.431 nan 8.230 nan 0.000 0.439 128 R N 0.021 120.574 120.500 0.088 0.000 2.083 128 R HA -0.170 4.167 4.340 -0.006 0.000 0.237 128 R C 2.238 178.581 176.300 0.072 0.000 1.137 128 R CA 2.228 58.363 56.100 0.058 0.000 0.951 128 R CB -0.355 29.957 30.300 0.020 0.000 0.851 128 R HN 0.240 nan 8.270 nan 0.000 0.434 129 T N 1.360 115.971 114.554 0.095 0.000 2.643 129 T HA -0.134 4.212 4.350 -0.006 0.000 0.264 129 T C 1.873 176.605 174.700 0.054 0.000 1.045 129 T CA 1.656 63.807 62.100 0.085 0.000 1.155 129 T CB -0.271 68.662 68.868 0.109 0.000 0.863 129 T HN 0.211 nan 8.240 nan 0.000 0.420 130 I N 0.916 121.514 120.570 0.047 0.000 2.229 130 I HA -0.233 3.934 4.170 -0.006 0.000 0.250 130 I C 2.220 178.311 176.117 -0.042 0.000 1.096 130 I CA 1.333 62.627 61.300 -0.010 0.000 1.358 130 I CB -0.388 37.592 38.000 -0.032 0.000 1.047 130 I HN 0.252 nan 8.210 nan 0.000 0.422 131 L N 0.022 121.238 121.223 -0.010 0.000 2.275 131 L HA -0.138 4.199 4.340 -0.006 0.000 0.215 131 L C 1.564 178.444 176.870 0.016 0.000 1.119 131 L CA 1.632 56.469 54.840 -0.005 0.000 0.790 131 L CB -0.511 41.574 42.059 0.043 0.000 0.919 131 L HN 0.445 nan 8.230 nan 0.000 0.443 132 T N -4.808 109.763 114.554 0.027 0.000 3.415 132 T HA 0.290 4.636 4.350 -0.006 0.000 0.282 132 T C 1.059 175.780 174.700 0.035 0.000 1.007 132 T CA -0.347 61.775 62.100 0.037 0.000 0.958 132 T CB -0.047 68.849 68.868 0.047 0.000 1.171 132 T HN 0.032 nan 8.240 nan 0.000 0.500 133 L N 0.347 121.583 121.223 0.022 0.000 2.217 133 L HA 0.246 4.583 4.340 -0.006 0.000 0.211 133 L C 0.506 177.400 176.870 0.039 0.000 1.107 133 L CA 0.530 55.385 54.840 0.026 0.000 0.783 133 L CB 0.063 42.127 42.059 0.008 0.000 0.919 133 L HN 0.281 nan 8.230 nan 0.000 0.442 134 V N -0.667 119.277 119.914 0.049 0.000 2.656 134 V HA 0.230 4.346 4.120 -0.006 0.000 0.307 134 V C -0.956 175.181 176.094 0.071 0.000 1.051 134 V CA -1.029 61.315 62.300 0.073 0.000 0.893 134 V CB 2.168 34.064 31.823 0.121 0.000 0.999 134 V HN -0.042 nan 8.190 nan 0.000 0.426 135 D N 2.614 123.051 120.400 0.062 0.000 2.371 135 D HA 0.302 4.939 4.640 -0.006 0.000 0.256 135 D C 0.042 176.379 176.300 0.061 0.000 1.193 135 D CA 0.621 54.654 54.000 0.054 0.000 0.881 135 D CB 1.482 42.307 40.800 0.042 0.000 1.143 135 D HN 0.475 nan 8.370 nan 0.000 0.473 136 S N 1.710 117.448 115.700 0.062 0.000 2.607 136 S HA 0.556 5.023 4.470 -0.006 0.000 0.303 136 S C -2.551 172.076 174.600 0.046 0.000 1.086 136 S CA -1.576 56.662 58.200 0.063 0.000 0.995 136 S CB 1.198 64.448 63.200 0.083 0.000 1.084 136 S HN 0.191 nan 8.310 nan 0.000 0.507 137 P HA 0.163 nan 4.420 nan 0.000 0.263 137 P C -0.773 176.545 177.300 0.031 0.000 1.247 137 P CA -0.066 63.050 63.100 0.028 0.000 0.876 137 P CB 0.003 31.714 31.700 0.018 0.000 0.928 138 A N 4.134 126.973 122.820 0.032 0.000 3.051 138 A HA 0.074 4.391 4.320 -0.006 0.000 0.275 138 A C 0.943 178.542 177.584 0.026 0.000 1.900 138 A CA 0.432 52.488 52.037 0.033 0.000 1.496 138 A CB -1.009 18.010 19.000 0.033 0.000 1.013 138 A HN 0.706 nan 8.150 nan 0.000 0.611 139 D N 0.031 120.446 120.400 0.026 0.000 4.220 139 D HA -0.074 4.563 4.640 -0.006 0.000 0.196 139 D C -0.957 175.354 176.300 0.019 0.000 0.597 139 D CA -0.159 53.853 54.000 0.020 0.000 0.671 139 D CB -0.575 40.235 40.800 0.016 0.000 1.694 139 D HN 0.299 nan 8.370 nan 0.000 0.159 140 E N 1.697 121.911 120.200 0.023 0.000 3.108 140 E HA 0.202 4.549 4.350 -0.006 0.000 0.228 140 E C 1.080 177.698 176.600 0.030 0.000 1.176 140 E CA -0.408 56.004 56.400 0.020 0.000 0.881 140 E CB 1.274 30.983 29.700 0.015 0.000 1.354 140 E HN 0.259 nan 8.360 nan 0.000 0.400 141 R N 1.417 121.937 120.500 0.034 0.000 2.190 141 R HA -0.244 4.092 4.340 -0.006 0.000 0.255 141 R C 0.276 176.611 176.300 0.059 0.000 1.143 141 R CA 2.335 58.466 56.100 0.051 0.000 0.965 141 R CB 0.306 30.638 30.300 0.054 0.000 0.889 141 R HN 0.107 nan 8.270 nan 0.000 0.448 142 E N -0.952 119.267 120.200 0.032 0.000 2.411 142 E HA 0.205 4.552 4.350 -0.006 0.000 0.204 142 E C 0.612 177.230 176.600 0.029 0.000 1.059 142 E CA 0.429 56.839 56.400 0.018 0.000 1.112 142 E CB 1.019 30.697 29.700 -0.036 0.000 1.168 142 E HN 0.411 nan 8.360 nan 0.000 0.445 143 A N 0.535 123.383 122.820 0.048 0.000 2.014 143 A HA 0.046 4.363 4.320 -0.006 0.000 0.218 143 A C 0.833 178.503 177.584 0.143 0.000 1.163 143 A CA 0.629 52.706 52.037 0.065 0.000 0.652 143 A CB 0.176 19.211 19.000 0.059 0.000 0.808 143 A HN 0.163 nan 8.150 nan 0.000 0.449 144 V N -1.286 118.703 119.914 0.124 0.000 2.439 144 V HA 0.542 4.659 4.120 -0.006 0.000 0.277 144 V C -0.566 175.538 176.094 0.016 0.000 1.008 144 V CA -0.370 62.008 62.300 0.129 0.000 0.846 144 V CB 0.686 32.562 31.823 0.088 0.000 1.031 144 V HN 0.458 nan 8.190 nan 0.000 0.441 145 M N 5.422 125.019 119.600 -0.004 0.000 2.393 145 M HA 0.714 5.191 4.480 -0.006 0.000 0.316 145 M C -2.065 174.123 176.300 -0.188 0.000 1.087 145 M CA -0.629 54.623 55.300 -0.080 0.000 0.937 145 M CB 2.214 34.796 32.600 -0.030 0.000 1.668 145 M HN 0.599 nan 8.290 nan 0.000 0.438 146 L N 4.530 125.478 121.223 -0.458 0.000 2.305 146 L HA 0.730 5.067 4.340 -0.006 0.000 0.284 146 L C 0.060 176.682 176.870 -0.413 0.000 1.013 146 L CA -0.660 53.801 54.840 -0.631 0.000 0.819 146 L CB 1.725 42.940 42.059 -1.405 0.000 1.227 146 L HN 0.930 nan 8.230 nan 0.000 0.417 147 G N 1.364 110.151 108.800 -0.022 0.000 2.448 147 G HA2 0.789 4.745 3.960 -0.006 0.000 0.324 147 G HA3 0.789 4.745 3.960 -0.006 0.000 0.324 147 G C -0.369 174.608 174.900 0.128 0.000 1.203 147 G CA -0.026 45.160 45.100 0.145 0.000 0.954 147 G HN 0.877 nan 8.290 nan 0.000 0.480 148 G N -0.536 108.273 108.800 0.015 0.000 2.332 148 G HA2 0.456 4.412 3.960 -0.006 0.000 0.265 148 G HA3 0.456 4.412 3.960 -0.006 0.000 0.265 148 G C -1.883 172.573 174.900 -0.740 0.000 1.329 148 G CA -0.239 44.531 45.100 -0.549 0.000 0.949 148 G HN 1.456 nan 8.290 nan 0.000 0.476 149 L N 0.049 120.646 121.223 -1.044 0.000 2.329 149 L HA 0.876 5.212 4.340 -0.006 0.000 0.279 149 L C -1.237 175.206 176.870 -0.711 0.000 1.014 149 L CA -0.938 53.499 54.840 -0.673 0.000 0.814 149 L CB 1.257 43.136 42.059 -0.300 0.000 1.257 149 L HN 0.424 nan 8.230 nan 0.000 0.424 150 F N 4.884 124.659 119.950 -0.292 0.000 2.334 150 F HA 0.642 5.166 4.527 -0.006 0.000 0.367 150 F C 0.896 176.686 175.800 -0.017 0.000 1.115 150 F CA -0.474 57.471 58.000 -0.093 0.000 1.116 150 F CB 1.198 40.075 39.000 -0.205 0.000 1.230 150 F HN 0.711 nan 8.300 nan 0.000 0.484 151 A N 3.269 126.198 122.820 0.182 0.000 2.386 151 A HA 0.051 4.367 4.320 -0.006 0.000 0.248 151 A C 0.838 178.528 177.584 0.178 0.000 1.082 151 A CA -0.300 51.804 52.037 0.111 0.000 0.789 151 A CB 0.114 19.126 19.000 0.020 0.000 1.025 151 A HN 0.914 nan 8.150 nan 0.000 0.490 152 Y N 0.487 120.799 120.300 0.020 0.000 2.207 152 Y HA -0.227 4.319 4.550 -0.007 0.000 0.287 152 Y C 1.475 177.393 175.900 0.031 0.000 1.156 152 Y CA 2.415 60.521 58.100 0.011 0.000 1.182 152 Y CB 0.166 38.596 38.460 -0.049 0.000 0.979 152 Y HN 0.740 nan 8.280 nan 0.000 0.521 153 D N 0.406 120.959 120.400 0.255 0.000 2.348 153 D HA -0.134 4.502 4.640 -0.006 0.000 0.216 153 D C 2.024 178.380 176.300 0.094 0.000 0.970 153 D CA 0.645 54.751 54.000 0.176 0.000 0.889 153 D CB -0.122 40.754 40.800 0.126 0.000 0.912 153 D HN 0.398 nan 8.370 nan 0.000 0.524 154 L N 1.089 122.377 121.223 0.109 0.000 2.129 154 L HA -0.153 4.183 4.340 -0.006 0.000 0.212 154 L C 2.196 179.218 176.870 0.252 0.000 1.087 154 L CA 1.192 56.133 54.840 0.170 0.000 0.757 154 L CB -0.591 41.617 42.059 0.249 0.000 0.896 154 L HN -0.121 nan 8.230 nan 0.000 0.434 155 V N -0.172 119.807 119.914 0.109 0.000 2.688 155 V HA -0.269 3.847 4.120 -0.006 0.000 0.256 155 V C 2.595 178.803 176.094 0.190 0.000 1.084 155 V CA 1.537 63.904 62.300 0.112 0.000 1.103 155 V CB -0.619 31.105 31.823 -0.164 0.000 0.688 155 V HN 0.634 nan 8.190 nan 0.000 0.480 156 A N -0.180 122.700 122.820 0.100 0.000 2.076 156 A HA -0.036 4.281 4.320 -0.006 0.000 0.220 156 A C 2.131 179.686 177.584 -0.048 0.000 1.160 156 A CA 1.545 53.603 52.037 0.035 0.000 0.653 156 A CB -0.840 18.172 19.000 0.020 0.000 0.801 156 A HN 0.668 nan 8.150 nan 0.000 0.455 157 G N -2.758 105.979 108.800 -0.105 0.000 2.985 157 G HA2 0.285 4.241 3.960 -0.006 0.000 0.209 157 G HA3 0.285 4.241 3.960 -0.006 0.000 0.209 157 G C 0.606 174.961 174.900 -0.910 0.000 1.165 157 G CA 0.451 45.209 45.100 -0.569 0.000 0.776 157 G HN 0.461 nan 8.290 nan 0.000 0.541 158 F N -0.561 119.360 119.950 -0.048 0.000 2.871 158 F HA 0.424 4.947 4.527 -0.005 0.000 0.344 158 F C 0.186 175.956 175.800 -0.050 0.000 1.078 158 F CA -0.376 57.600 58.000 -0.039 0.000 1.149 158 F CB 0.931 39.920 39.000 -0.018 0.000 1.087 158 F HN -0.148 nan 8.300 nan 0.000 0.557 159 E N 0.213 120.469 120.200 0.094 0.000 2.366 159 E HA 0.275 4.622 4.350 -0.006 0.000 0.278 159 E C -1.344 175.259 176.600 0.004 0.000 0.923 159 E CA -0.740 55.680 56.400 0.034 0.000 0.761 159 E CB 1.440 31.154 29.700 0.022 0.000 1.231 159 E HN -0.153 nan 8.360 nan 0.000 0.443 160 N N 1.554 120.250 118.700 -0.006 0.000 2.421 160 N HA 0.160 4.896 4.740 -0.006 0.000 0.260 160 N C -0.641 174.868 175.510 -0.002 0.000 1.173 160 N CA -0.022 53.023 53.050 -0.010 0.000 0.960 160 N CB 0.215 38.695 38.487 -0.011 0.000 1.273 160 N HN 0.169 nan 8.380 nan 0.000 0.497 161 L N 2.815 124.040 121.223 0.004 0.000 2.352 161 L HA 0.618 4.954 4.340 -0.006 0.000 0.269 161 L C -1.596 175.281 176.870 0.012 0.000 1.034 161 L CA -1.802 53.048 54.840 0.016 0.000 0.806 161 L CB 0.737 42.817 42.059 0.036 0.000 1.244 161 L HN 0.299 nan 8.230 nan 0.000 0.447 162 P HA 0.219 nan 4.420 nan 0.000 0.272 162 P C -0.786 176.520 177.300 0.009 0.000 1.230 162 P CA -0.453 62.651 63.100 0.007 0.000 0.788 162 P CB 0.539 32.243 31.700 0.005 0.000 0.949 163 A N 2.411 125.234 122.820 0.005 0.000 2.491 163 A HA 0.350 4.666 4.320 -0.006 0.000 0.261 163 A C -0.131 177.455 177.584 0.004 0.000 1.101 163 A CA 0.175 52.215 52.037 0.005 0.000 0.772 163 A CB -0.831 18.171 19.000 0.002 0.000 1.043 163 A HN 0.471 nan 8.150 nan 0.000 0.501 164 L N 2.221 123.447 121.223 0.005 0.000 2.271 164 L HA 0.601 4.937 4.340 -0.006 0.000 0.265 164 L C 0.627 177.495 176.870 -0.003 0.000 1.013 164 L CA -0.963 53.877 54.840 0.000 0.000 0.820 164 L CB 1.418 43.479 42.059 0.003 0.000 1.352 164 L HN 0.720 nan 8.230 nan 0.000 0.443 165 R N 0.475 120.970 120.500 -0.008 0.000 2.500 165 R HA 0.342 4.679 4.340 -0.006 0.000 0.277 165 R C -0.742 175.551 176.300 -0.012 0.000 1.026 165 R CA -0.554 55.541 56.100 -0.008 0.000 1.058 165 R CB 1.264 31.558 30.300 -0.010 0.000 1.078 165 R HN 0.489 nan 8.270 nan 0.000 0.509 166 Q N 1.760 121.555 119.800 -0.008 0.000 2.381 166 Q HA 0.130 4.466 4.340 -0.006 0.000 0.263 166 Q C -0.969 175.029 176.000 -0.004 0.000 1.030 166 Q CA -0.410 55.386 55.803 -0.012 0.000 0.772 166 Q CB 1.112 29.846 28.738 -0.005 0.000 1.232 166 Q HN 0.538 nan 8.270 nan 0.000 0.476 167 D N 3.659 124.053 120.400 -0.009 0.000 2.424 167 D HA 0.113 4.749 4.640 -0.006 0.000 0.220 167 D C -0.493 175.829 176.300 0.036 0.000 1.150 167 D CA 0.352 54.358 54.000 0.010 0.000 0.831 167 D CB 0.744 41.544 40.800 -0.001 0.000 0.981 167 D HN 0.555 nan 8.370 nan 0.000 0.500 168 Q N -0.550 119.267 119.800 0.029 0.000 2.456 168 Q HA 0.428 4.764 4.340 -0.006 0.000 0.284 168 Q C 0.453 176.502 176.000 0.082 0.000 1.061 168 Q CA -0.688 55.170 55.803 0.091 0.000 0.799 168 Q CB 2.453 31.197 28.738 0.009 0.000 1.445 168 Q HN -0.178 nan 8.270 nan 0.000 0.411 169 R N -0.304 120.294 120.500 0.163 0.000 2.299 169 R HA 0.100 4.437 4.340 -0.006 0.000 0.197 169 R C 0.558 176.929 176.300 0.118 0.000 0.971 169 R CA 0.001 56.188 56.100 0.144 0.000 1.030 169 R CB 0.041 30.455 30.300 0.189 0.000 0.932 169 R HN 0.486 nan 8.270 nan 0.000 0.477 170 C N 3.819 123.149 119.300 0.049 0.000 2.523 170 C HA 0.080 4.537 4.460 -0.006 0.000 0.406 170 C C -1.519 173.403 174.990 -0.114 0.000 1.449 170 C CA -1.475 57.430 59.018 -0.188 0.000 1.588 170 C CB -0.008 27.396 27.740 -0.560 0.000 2.514 170 C HN 0.304 nan 8.230 nan 0.000 0.606 171 P HA 0.299 nan 4.420 nan 0.000 0.284 171 P C 0.214 177.477 177.300 -0.061 0.000 1.287 171 P CA -0.120 62.957 63.100 -0.040 0.000 0.824 171 P CB 0.794 32.499 31.700 0.009 0.000 1.180 172 D N -0.699 119.656 120.400 -0.074 0.000 2.149 172 D HA -0.057 4.579 4.640 -0.006 0.000 0.198 172 D C 0.627 176.964 176.300 0.062 0.000 0.990 172 D CA 1.952 55.925 54.000 -0.045 0.000 0.839 172 D CB -0.289 40.434 40.800 -0.129 0.000 0.948 172 D HN 0.420 nan 8.370 nan 0.000 0.460 173 F N -1.623 118.296 119.950 -0.051 0.000 2.678 173 F HA 0.471 4.994 4.527 -0.006 0.000 0.308 173 F C -1.526 174.149 175.800 -0.208 0.000 1.118 173 F CA -2.470 55.443 58.000 -0.145 0.000 0.959 173 F CB 0.858 39.843 39.000 -0.024 0.000 1.305 173 F HN -0.172 nan 8.300 nan 0.000 0.443 174 C N 4.146 123.381 119.300 -0.108 0.000 2.620 174 C HA 0.824 5.280 4.460 -0.006 0.000 0.356 174 C C -1.903 172.703 174.990 -0.640 0.000 1.082 174 C CA -0.606 58.357 59.018 -0.091 0.000 1.293 174 C CB -0.623 27.157 27.740 0.067 0.000 1.836 174 C HN 0.748 nan 8.230 nan 0.000 0.453 175 F N 4.061 123.949 119.950 -0.103 0.000 2.563 175 F HA 0.605 5.128 4.527 -0.007 0.000 0.316 175 F C -0.297 175.471 175.800 -0.053 0.000 1.076 175 F CA -0.633 57.186 58.000 -0.301 0.000 0.921 175 F CB 1.602 40.382 39.000 -0.367 0.000 1.209 175 F HN 0.506 nan 8.300 nan 0.000 0.462 176 Y N 3.202 123.584 120.300 0.137 0.000 2.335 176 Y HA 0.415 4.962 4.550 -0.006 0.000 0.338 176 Y C -0.273 175.633 175.900 0.010 0.000 0.977 176 Y CA -1.186 56.952 58.100 0.063 0.000 1.114 176 Y CB 1.585 40.079 38.460 0.056 0.000 1.182 176 Y HN 0.293 nan 8.280 nan 0.000 0.463 177 L N 4.146 125.454 121.223 0.142 0.000 2.315 177 L HA 0.436 4.772 4.340 -0.006 0.000 0.283 177 L C 0.181 177.122 176.870 0.120 0.000 1.089 177 L CA -0.456 54.395 54.840 0.019 0.000 0.833 177 L CB 0.376 42.367 42.059 -0.113 0.000 1.170 177 L HN 0.822 nan 8.230 nan 0.000 0.442 178 A N 4.071 126.969 122.820 0.130 0.000 2.488 178 A HA 0.064 4.381 4.320 -0.006 0.000 0.249 178 A C 0.805 178.534 177.584 0.242 0.000 1.083 178 A CA -0.019 52.110 52.037 0.153 0.000 0.768 178 A CB 0.526 19.585 19.000 0.097 0.000 1.017 178 A HN 0.938 nan 8.150 nan 0.000 0.496 179 E N 1.274 121.567 120.200 0.155 0.000 2.256 179 E HA 0.064 4.410 4.350 -0.006 0.000 0.198 179 E C -0.250 176.346 176.600 -0.006 0.000 0.908 179 E CA 0.739 57.197 56.400 0.098 0.000 0.915 179 E CB 0.629 30.377 29.700 0.081 0.000 0.890 179 E HN 0.583 nan 8.360 nan 0.000 0.484 180 T N 1.533 116.089 114.554 0.004 0.000 2.892 180 T HA 0.395 4.741 4.350 -0.006 0.000 0.311 180 T C -1.378 173.317 174.700 -0.008 0.000 1.033 180 T CA -0.517 61.570 62.100 -0.021 0.000 0.991 180 T CB 1.247 70.096 68.868 -0.033 0.000 0.981 180 T HN 0.060 nan 8.240 nan 0.000 0.457 181 L N 4.939 126.154 121.223 -0.014 0.000 2.313 181 L HA 0.798 5.135 4.340 -0.006 0.000 0.283 181 L C -1.305 175.550 176.870 -0.024 0.000 1.013 181 L CA -0.920 53.912 54.840 -0.012 0.000 0.816 181 L CB 1.255 43.303 42.059 -0.017 0.000 1.236 181 L HN 0.527 nan 8.230 nan 0.000 0.419 182 L N 5.947 127.159 121.223 -0.018 0.000 2.322 182 L HA 0.775 5.111 4.340 -0.006 0.000 0.281 182 L C -1.294 175.556 176.870 -0.034 0.000 1.014 182 L CA -0.291 54.532 54.840 -0.028 0.000 0.815 182 L CB 1.963 44.005 42.059 -0.027 0.000 1.247 182 L HN 0.412 nan 8.230 nan 0.000 0.421 183 V N 6.155 126.039 119.914 -0.050 0.000 2.577 183 V HA 0.477 4.594 4.120 -0.006 0.000 0.303 183 V C -0.434 175.609 176.094 -0.085 0.000 1.042 183 V CA -0.548 61.711 62.300 -0.068 0.000 0.872 183 V CB 1.952 33.731 31.823 -0.072 0.000 0.998 183 V HN 0.620 nan 8.190 nan 0.000 0.423 184 L N 3.936 125.079 121.223 -0.135 0.000 2.307 184 L HA 0.569 4.905 4.340 -0.006 0.000 0.284 184 L C -0.201 176.506 176.870 -0.272 0.000 1.023 184 L CA -0.433 54.295 54.840 -0.186 0.000 0.810 184 L CB 1.651 43.555 42.059 -0.257 0.000 1.231 184 L HN 0.555 nan 8.230 nan 0.000 0.423 185 D N 2.224 122.557 120.400 -0.112 0.000 2.485 185 D HA 0.090 4.726 4.640 -0.006 0.000 0.221 185 D C 1.082 177.380 176.300 -0.004 0.000 1.112 185 D CA -0.309 53.640 54.000 -0.084 0.000 0.911 185 D CB 0.576 41.373 40.800 -0.006 0.000 1.019 185 D HN 0.473 nan 8.370 nan 0.000 0.516 186 H N 2.210 121.364 119.070 0.140 0.000 2.265 186 H HA -0.194 4.359 4.556 -0.006 0.000 0.295 186 H C 1.782 177.139 175.328 0.047 0.000 1.084 186 H CA 1.346 57.482 56.048 0.147 0.000 1.261 186 H CB -0.075 29.736 29.762 0.081 0.000 1.360 186 H HN 0.581 nan 8.280 nan 0.000 0.487 187 Q N 1.616 121.506 119.800 0.149 0.000 1.900 187 Q HA -0.207 4.130 4.340 -0.006 0.000 0.219 187 Q C 2.091 178.085 176.000 -0.011 0.000 1.012 187 Q CA 1.720 57.555 55.803 0.054 0.000 0.876 187 Q CB -0.194 28.574 28.738 0.050 0.000 0.952 187 Q HN 0.395 nan 8.270 nan 0.000 0.419 188 R N -0.184 120.308 120.500 -0.015 0.000 2.377 188 R HA -0.009 4.328 4.340 -0.006 0.000 0.207 188 R C 1.045 177.278 176.300 -0.113 0.000 1.075 188 R CA 0.462 56.534 56.100 -0.046 0.000 1.035 188 R CB -0.540 29.748 30.300 -0.021 0.000 0.857 188 R HN 0.678 nan 8.270 nan 0.000 0.475 189 G N 1.478 110.173 108.800 -0.175 0.000 2.371 189 G HA2 -0.294 3.662 3.960 -0.006 0.000 0.299 189 G HA3 -0.294 3.662 3.960 -0.006 0.000 0.299 189 G C -0.269 174.493 174.900 -0.231 0.000 1.014 189 G CA 0.701 45.458 45.100 -0.571 0.000 1.097 189 G HN 0.348 nan 8.290 nan 0.000 0.512 190 S N -0.848 114.923 115.700 0.117 0.000 2.536 190 S HA 0.876 5.342 4.470 -0.006 0.000 0.298 190 S C 0.051 174.781 174.600 0.216 0.000 1.083 190 S CA 0.313 58.611 58.200 0.165 0.000 0.995 190 S CB 1.790 65.021 63.200 0.052 0.000 1.058 190 S HN 1.843 nan 8.310 nan 0.000 0.488 191 A N 3.748 126.651 122.820 0.139 0.000 2.323 191 A HA 0.623 4.940 4.320 -0.006 0.000 0.305 191 A C -0.299 177.289 177.584 0.007 0.000 1.275 191 A CA -0.665 51.395 52.037 0.039 0.000 0.804 191 A CB 0.437 19.434 19.000 -0.005 0.000 1.152 191 A HN 0.806 nan 8.150 nan 0.000 0.487 192 R N 3.001 123.495 120.500 -0.012 0.000 2.221 192 R HA 0.630 4.967 4.340 -0.006 0.000 0.327 192 R C -1.310 174.974 176.300 -0.027 0.000 1.033 192 R CA -0.269 55.821 56.100 -0.017 0.000 0.887 192 R CB 0.563 30.851 30.300 -0.020 0.000 1.057 192 R HN 0.741 nan 8.270 nan 0.000 0.455 193 L N 4.750 125.958 121.223 -0.025 0.000 2.346 193 L HA 0.483 4.819 4.340 -0.006 0.000 0.274 193 L C -1.053 175.797 176.870 -0.032 0.000 1.007 193 L CA -0.507 54.315 54.840 -0.030 0.000 0.818 193 L CB 1.648 43.690 42.059 -0.028 0.000 1.284 193 L HN 0.841 nan 8.230 nan 0.000 0.424 194 Q N 3.526 123.304 119.800 -0.037 0.000 2.522 194 Q HA 0.812 5.149 4.340 -0.006 0.000 0.285 194 Q C -2.094 173.873 176.000 -0.055 0.000 0.982 194 Q CA -1.062 54.715 55.803 -0.044 0.000 0.805 194 Q CB 2.185 30.898 28.738 -0.041 0.000 1.457 194 Q HN 0.633 nan 8.270 nan 0.000 0.394 195 A N 0.965 123.739 122.820 -0.077 0.000 2.414 195 A HA 0.806 5.123 4.320 -0.006 0.000 0.306 195 A C -1.117 176.365 177.584 -0.170 0.000 1.054 195 A CA -0.670 51.301 52.037 -0.110 0.000 0.724 195 A CB 2.314 21.250 19.000 -0.106 0.000 1.267 195 A HN 0.560 nan 8.150 nan 0.000 0.418 196 S N 0.604 116.137 115.700 -0.277 0.000 2.552 196 S HA 0.514 4.981 4.470 -0.006 0.000 0.314 196 S C -0.691 173.410 174.600 -0.832 0.000 1.099 196 S CA -0.457 57.456 58.200 -0.479 0.000 1.070 196 S CB 1.447 64.368 63.200 -0.464 0.000 0.998 196 S HN 0.690 nan 8.310 nan 0.000 0.474 197 V N 4.959 124.523 119.914 -0.585 0.000 2.259 197 V HA 0.247 4.364 4.120 -0.006 0.000 0.267 197 V C 0.370 176.227 176.094 -0.395 0.000 1.051 197 V CA -0.421 61.597 62.300 -0.470 0.000 0.830 197 V CB -0.595 31.095 31.823 -0.222 0.000 1.080 197 V HN 0.940 nan 8.190 nan 0.000 0.467 198 F N 1.101 121.047 119.950 -0.007 0.000 2.250 198 F HA -0.134 4.389 4.527 -0.006 0.000 0.301 198 F C 1.901 177.701 175.800 0.000 0.000 1.077 198 F CA 1.373 59.371 58.000 -0.002 0.000 1.348 198 F CB -0.085 38.916 39.000 0.002 0.000 1.040 198 F HN 0.523 nan 8.300 nan 0.000 0.509 199 S N -1.442 114.316 115.700 0.096 0.000 4.337 199 S HA 0.207 4.674 4.470 -0.006 0.000 0.207 199 S C 1.402 176.010 174.600 0.013 0.000 1.031 199 S CA -0.531 57.707 58.200 0.064 0.000 1.792 199 S CB 0.498 63.742 63.200 0.073 0.000 0.767 199 S HN -0.001 nan 8.310 nan 0.000 0.736 200 E N 0.373 120.578 120.200 0.010 0.000 2.175 200 E HA 0.198 4.544 4.350 -0.006 0.000 0.193 200 E C -0.516 176.073 176.600 -0.019 0.000 0.962 200 E CA 0.201 56.597 56.400 -0.006 0.000 0.981 200 E CB -0.366 29.335 29.700 0.002 0.000 1.093 200 E HN 0.437 nan 8.360 nan 0.000 0.483 201 Q N 0.583 120.377 119.800 -0.010 0.000 2.926 201 Q HA -0.211 4.125 4.340 -0.006 0.000 0.109 201 Q C 0.606 176.586 176.000 -0.033 0.000 1.525 201 Q CA 0.738 56.532 55.803 -0.016 0.000 0.447 201 Q CB -0.964 27.768 28.738 -0.010 0.000 0.672 201 Q HN 0.386 nan 8.270 nan 0.000 0.340 202 A N 2.595 125.396 122.820 -0.031 0.000 2.014 202 A HA -0.155 4.162 4.320 -0.006 0.000 0.218 202 A C 2.069 179.623 177.584 -0.051 0.000 1.163 202 A CA 1.340 53.350 52.037 -0.044 0.000 0.652 202 A CB -0.199 18.780 19.000 -0.034 0.000 0.808 202 A HN 0.798 nan 8.150 nan 0.000 0.449 203 S N 0.210 115.889 115.700 -0.035 0.000 2.370 203 S HA -0.202 4.264 4.470 -0.006 0.000 0.226 203 S C 1.640 176.214 174.600 -0.044 0.000 1.033 203 S CA 1.444 59.626 58.200 -0.030 0.000 1.011 203 S CB -0.359 62.832 63.200 -0.015 0.000 0.852 203 S HN 0.572 nan 8.310 nan 0.000 0.457 204 E N 1.973 122.145 120.200 -0.047 0.000 2.051 204 E HA 0.118 4.465 4.350 -0.006 0.000 0.189 204 E C 2.607 179.151 176.600 -0.093 0.000 0.979 204 E CA 1.038 57.403 56.400 -0.059 0.000 0.803 204 E CB -0.930 28.740 29.700 -0.050 0.000 0.761 204 E HN 0.591 nan 8.360 nan 0.000 0.451 205 A N 1.965 124.726 122.820 -0.098 0.000 1.884 205 A HA -0.272 4.044 4.320 -0.006 0.000 0.219 205 A C 2.181 179.667 177.584 -0.162 0.000 1.197 205 A CA 1.847 53.812 52.037 -0.120 0.000 0.637 205 A CB -0.548 18.392 19.000 -0.100 0.000 0.827 205 A HN 0.125 nan 8.150 nan 0.000 0.450 206 Q N -1.031 118.660 119.800 -0.181 0.000 2.119 206 Q HA -0.133 4.204 4.340 -0.006 0.000 0.201 206 Q C 2.250 178.035 176.000 -0.358 0.000 0.972 206 Q CA 1.609 57.212 55.803 -0.333 0.000 0.847 206 Q CB -0.424 28.159 28.738 -0.259 0.000 0.903 206 Q HN 0.771 nan 8.270 nan 0.000 0.433 207 R N 0.159 120.571 120.500 -0.146 0.000 2.073 207 R HA -0.094 4.242 4.340 -0.006 0.000 0.234 207 R C 2.330 178.597 176.300 -0.054 0.000 1.134 207 R CA 1.085 57.155 56.100 -0.050 0.000 0.952 207 R CB -0.174 30.112 30.300 -0.024 0.000 0.850 207 R HN 0.204 nan 8.270 nan 0.000 0.433 208 L N 0.331 121.500 121.223 -0.090 0.000 2.072 208 L HA -0.153 4.183 4.340 -0.006 0.000 0.205 208 L C 2.722 179.539 176.870 -0.089 0.000 1.079 208 L CA 1.035 55.826 54.840 -0.081 0.000 0.752 208 L CB -0.562 41.434 42.059 -0.104 0.000 0.906 208 L HN 0.253 nan 8.230 nan 0.000 0.436 209 Q N 0.062 119.771 119.800 -0.151 0.000 2.062 209 Q HA -0.277 4.060 4.340 -0.006 0.000 0.209 209 Q C 2.189 178.148 176.000 -0.069 0.000 0.996 209 Q CA 2.046 57.757 55.803 -0.155 0.000 0.859 209 Q CB -0.318 28.262 28.738 -0.264 0.000 0.920 209 Q HN 0.466 nan 8.270 nan 0.000 0.415 210 H N -0.777 118.271 119.070 -0.036 0.000 2.387 210 H HA -0.020 4.532 4.556 -0.006 0.000 0.299 210 H C 2.047 177.353 175.328 -0.037 0.000 1.090 210 H CA 1.581 57.610 56.048 -0.033 0.000 1.332 210 H CB -0.235 29.509 29.762 -0.030 0.000 1.386 210 H HN 0.173 nan 8.280 nan 0.000 0.516 211 R N 0.726 121.273 120.500 0.077 0.000 2.159 211 R HA -0.092 4.245 4.340 -0.006 0.000 0.237 211 R C 1.698 177.998 176.300 0.000 0.000 1.131 211 R CA 0.577 56.689 56.100 0.020 0.000 0.982 211 R CB -0.513 29.782 30.300 -0.009 0.000 0.868 211 R HN 0.127 nan 8.270 nan 0.000 0.453 212 L N -0.142 121.081 121.223 0.001 0.000 2.341 212 L HA 0.090 4.427 4.340 -0.006 0.000 0.214 212 L C 1.683 178.553 176.870 0.001 0.000 1.115 212 L CA 1.376 56.210 54.840 -0.010 0.000 0.820 212 L CB -0.361 41.686 42.059 -0.021 0.000 0.944 212 L HN 0.075 nan 8.230 nan 0.000 0.452 213 E N -0.821 119.393 120.200 0.025 0.000 2.051 213 E HA -0.172 4.175 4.350 -0.006 0.000 0.189 213 E C 2.119 178.719 176.600 -0.001 0.000 0.979 213 E CA 0.814 57.226 56.400 0.021 0.000 0.803 213 E CB -0.116 29.613 29.700 0.048 0.000 0.761 213 E HN 0.432 nan 8.360 nan 0.000 0.451 214 Q N 0.354 120.153 119.800 -0.001 0.000 2.030 214 Q HA -0.178 4.158 4.340 -0.006 0.000 0.204 214 Q C 2.210 178.193 176.000 -0.028 0.000 0.986 214 Q CA 1.483 57.274 55.803 -0.020 0.000 0.843 214 Q CB -0.283 28.442 28.738 -0.020 0.000 0.904 214 Q HN 0.335 nan 8.270 nan 0.000 0.420 215 L N 0.200 121.406 121.223 -0.028 0.000 2.083 215 L HA -0.252 4.084 4.340 -0.006 0.000 0.209 215 L C 2.491 179.342 176.870 -0.033 0.000 1.083 215 L CA 1.468 56.285 54.840 -0.038 0.000 0.752 215 L CB -0.175 41.861 42.059 -0.039 0.000 0.899 215 L HN 0.448 nan 8.230 nan 0.000 0.433 216 Q N -0.673 119.113 119.800 -0.023 0.000 2.016 216 Q HA -0.192 4.145 4.340 -0.006 0.000 0.200 216 Q C 2.225 178.214 176.000 -0.020 0.000 0.978 216 Q CA 1.529 57.321 55.803 -0.019 0.000 0.833 216 Q CB -0.267 28.464 28.738 -0.011 0.000 0.895 216 Q HN 0.635 nan 8.270 nan 0.000 0.427 217 A N 1.102 123.910 122.820 -0.020 0.000 2.194 217 A HA -0.232 4.084 4.320 -0.006 0.000 0.220 217 A C 1.589 179.158 177.584 -0.026 0.000 1.162 217 A CA 1.436 53.460 52.037 -0.022 0.000 0.674 217 A CB -0.316 18.669 19.000 -0.025 0.000 0.789 217 A HN 0.369 nan 8.150 nan 0.000 0.470 218 E N -0.580 119.601 120.200 -0.031 0.000 2.216 218 E HA 0.104 4.451 4.350 -0.006 0.000 0.192 218 E C 1.333 177.912 176.600 -0.034 0.000 0.973 218 E CA 0.050 56.428 56.400 -0.037 0.000 0.851 218 E CB -0.118 29.552 29.700 -0.049 0.000 0.804 218 E HN 0.607 nan 8.360 nan 0.000 0.477 219 L N 1.119 122.324 121.223 -0.031 0.000 2.633 219 L HA -0.155 4.181 4.340 -0.006 0.000 0.235 219 L C 1.620 178.478 176.870 -0.019 0.000 1.163 219 L CA 0.766 55.587 54.840 -0.031 0.000 0.859 219 L CB -0.133 41.908 42.059 -0.030 0.000 0.973 219 L HN 0.124 nan 8.230 nan 0.000 0.451 220 Q N -0.878 118.913 119.800 -0.016 0.000 2.622 220 Q HA 0.122 4.459 4.340 -0.006 0.000 0.208 220 Q C 1.521 177.515 176.000 -0.011 0.000 0.911 220 Q CA 0.726 56.524 55.803 -0.009 0.000 0.893 220 Q CB -0.435 28.298 28.738 -0.007 0.000 1.124 220 Q HN 0.433 nan 8.270 nan 0.000 0.634 221 Q N 2.324 122.114 119.800 -0.016 0.000 3.326 221 Q HA -0.086 4.251 4.340 -0.006 0.000 0.243 221 Q C -1.968 174.024 176.000 -0.015 0.000 1.286 221 Q CA 0.843 56.635 55.803 -0.018 0.000 1.189 221 Q CB -2.399 26.323 28.738 -0.026 0.000 1.447 221 Q HN 0.304 nan 8.270 nan 0.000 0.620 222 P HA 0.111 nan 4.420 nan 0.000 0.263 222 P C -2.401 174.896 177.300 -0.006 0.000 1.345 222 P CA -0.852 62.243 63.100 -0.009 0.000 1.119 222 P CB -0.087 31.607 31.700 -0.011 0.000 1.363 223 P HA 0.073 nan 4.420 nan 0.000 0.226 223 P C 0.067 177.393 177.300 0.043 0.000 1.783 223 P CA -0.094 63.016 63.100 0.017 0.000 0.980 223 P CB 0.005 31.714 31.700 0.014 0.000 1.967 224 Q N 1.654 121.483 119.800 0.049 0.000 2.333 224 Q HA 0.074 4.411 4.340 -0.006 0.000 0.299 224 Q C -1.762 174.313 176.000 0.126 0.000 1.067 224 Q CA -1.248 54.601 55.803 0.075 0.000 0.943 224 Q CB -0.665 28.116 28.738 0.072 0.000 1.233 224 Q HN 0.353 nan 8.270 nan 0.000 0.401 225 P HA -0.093 nan 4.420 nan 0.000 0.272 225 P C -0.896 176.435 177.300 0.052 0.000 1.243 225 P CA -0.072 63.066 63.100 0.063 0.000 0.803 225 P CB 0.305 32.030 31.700 0.041 0.000 0.974 226 I N -1.745 118.806 120.570 -0.032 0.000 2.304 226 I HA 0.383 4.549 4.170 -0.006 0.000 0.291 226 I C -2.375 173.728 176.117 -0.022 0.000 1.018 226 I CA -3.036 58.131 61.300 -0.222 0.000 1.260 226 I CB -0.378 37.480 38.000 -0.237 0.000 1.390 226 I HN 0.090 nan 8.210 nan 0.000 0.475 227 P HA 0.108 nan 4.420 nan 0.000 0.262 227 P C -1.048 176.290 177.300 0.063 0.000 1.182 227 P CA 0.498 63.631 63.100 0.055 0.000 0.761 227 P CB 0.133 31.861 31.700 0.047 0.000 0.795 228 H N 0.385 119.466 119.070 0.018 0.000 2.658 228 H HA 0.342 4.895 4.556 -0.006 0.000 0.337 228 H C -0.202 175.199 175.328 0.121 0.000 1.009 228 H CA -0.546 55.538 56.048 0.060 0.000 1.231 228 H CB 1.365 31.195 29.762 0.113 0.000 1.508 228 H HN 0.339 nan 8.280 nan 0.000 0.517 229 Q N 2.624 122.602 119.800 0.295 0.000 2.243 229 Q HA 0.273 4.609 4.340 -0.006 0.000 0.252 229 Q C -0.641 175.560 176.000 0.334 0.000 0.909 229 Q CA -0.841 55.119 55.803 0.262 0.000 0.922 229 Q CB 0.717 29.590 28.738 0.226 0.000 1.215 229 Q HN 0.532 nan 8.270 nan 0.000 0.427 230 K N 4.643 125.164 120.400 0.202 0.000 2.518 230 K HA 0.100 4.417 4.320 -0.006 0.000 0.244 230 K C 0.215 176.914 176.600 0.166 0.000 1.232 230 K CA -0.206 56.199 56.287 0.197 0.000 1.189 230 K CB 0.165 32.661 32.500 -0.007 0.000 1.737 230 K HN 0.545 nan 8.250 nan 0.000 0.333 231 L N 1.778 123.118 121.223 0.196 0.000 2.821 231 L HA -0.047 4.290 4.340 -0.006 0.000 0.254 231 L C 0.546 177.484 176.870 0.114 0.000 1.151 231 L CA 0.717 55.622 54.840 0.108 0.000 0.937 231 L CB -1.251 40.823 42.059 0.025 0.000 1.141 231 L HN 0.414 nan 8.230 nan 0.000 0.425 232 E N 1.268 121.552 120.200 0.139 0.000 3.048 232 E HA -0.280 4.067 4.350 -0.006 0.000 0.280 232 E C -0.049 176.598 176.600 0.078 0.000 0.905 232 E CA 0.857 57.328 56.400 0.117 0.000 0.977 232 E CB 0.047 29.802 29.700 0.093 0.000 0.954 232 E HN 0.554 nan 8.360 nan 0.000 0.500 233 N N 2.236 120.978 118.700 0.069 0.000 2.858 233 N HA -0.158 4.578 4.740 -0.006 0.000 0.247 233 N C -0.973 174.569 175.510 0.054 0.000 1.092 233 N CA 1.322 54.401 53.050 0.048 0.000 0.675 233 N CB -1.607 36.902 38.487 0.036 0.000 0.959 233 N HN 0.608 nan 8.380 nan 0.000 0.558 234 M N -1.751 117.892 119.600 0.072 0.000 2.363 234 M HA 0.602 5.078 4.480 -0.006 0.000 0.343 234 M C 0.144 176.499 176.300 0.091 0.000 1.165 234 M CA -0.693 54.653 55.300 0.077 0.000 1.046 234 M CB 2.047 34.700 32.600 0.088 0.000 1.648 234 M HN -0.009 nan 8.290 nan 0.000 0.452 235 Q N 2.620 122.466 119.800 0.076 0.000 2.293 235 Q HA 0.574 4.910 4.340 -0.006 0.000 0.261 235 Q C -1.548 174.510 176.000 0.097 0.000 0.960 235 Q CA -0.704 55.151 55.803 0.087 0.000 0.882 235 Q CB 1.740 30.510 28.738 0.054 0.000 1.275 235 Q HN 0.849 nan 8.270 nan 0.000 0.445 236 L N 2.717 124.036 121.223 0.159 0.000 2.439 236 L HA 0.553 4.889 4.340 -0.006 0.000 0.269 236 L C -0.901 176.021 176.870 0.086 0.000 1.179 236 L CA 0.785 55.700 54.840 0.125 0.000 0.828 236 L CB 0.962 43.129 42.059 0.181 0.000 1.106 236 L HN 0.767 nan 8.230 nan 0.000 0.467 237 S N 2.179 117.918 115.700 0.065 0.000 2.632 237 S HA 0.802 5.269 4.470 -0.006 0.000 0.289 237 S C -1.197 173.457 174.600 0.090 0.000 1.115 237 S CA -0.776 57.454 58.200 0.051 0.000 0.889 237 S CB 1.512 64.709 63.200 -0.005 0.000 1.116 237 S HN 0.778 nan 8.310 nan 0.000 0.486 238 C N 2.115 121.445 119.300 0.050 0.000 2.797 238 C HA 0.528 4.985 4.460 -0.006 0.000 0.306 238 C C 1.254 176.195 174.990 -0.082 0.000 1.207 238 C CA -1.012 57.999 59.018 -0.011 0.000 1.507 238 C CB 1.476 29.235 27.740 0.033 0.000 2.028 238 C HN 1.076 nan 8.230 nan 0.000 0.475 239 N N 1.048 119.648 118.700 -0.167 0.000 2.398 239 N HA -0.029 4.708 4.740 -0.006 0.000 0.188 239 N C -0.046 175.406 175.510 -0.097 0.000 1.122 239 N CA 0.316 53.293 53.050 -0.120 0.000 0.866 239 N CB 0.351 38.755 38.487 -0.138 0.000 0.970 239 N HN 0.967 nan 8.380 nan 0.000 0.462 240 Q N -0.503 119.234 119.800 -0.106 0.000 2.541 240 Q HA 0.226 4.563 4.340 -0.006 0.000 0.259 240 Q C -1.649 174.334 176.000 -0.028 0.000 0.974 240 Q CA -0.817 54.956 55.803 -0.050 0.000 0.955 240 Q CB 0.743 29.463 28.738 -0.030 0.000 1.517 240 Q HN 0.104 nan 8.270 nan 0.000 0.412 241 S N 1.497 117.207 115.700 0.018 0.000 2.632 241 S HA 0.213 4.680 4.470 -0.006 0.000 0.267 241 S C 0.178 174.829 174.600 0.084 0.000 1.276 241 S CA 0.308 58.536 58.200 0.047 0.000 0.998 241 S CB 0.860 64.087 63.200 0.044 0.000 0.953 241 S HN 0.667 nan 8.310 nan 0.000 0.547 242 D N 0.930 121.388 120.400 0.097 0.000 2.239 242 D HA -0.104 4.532 4.640 -0.006 0.000 0.202 242 D C 1.515 177.888 176.300 0.121 0.000 0.993 242 D CA 1.564 55.644 54.000 0.134 0.000 0.874 242 D CB -0.186 40.678 40.800 0.107 0.000 0.922 242 D HN 0.665 nan 8.370 nan 0.000 0.464 243 E N 0.232 120.480 120.200 0.079 0.000 2.112 243 E HA -0.073 4.274 4.350 -0.006 0.000 0.190 243 E C 1.902 178.529 176.600 0.045 0.000 0.979 243 E CA 0.756 57.187 56.400 0.053 0.000 0.814 243 E CB -0.024 29.697 29.700 0.036 0.000 0.762 243 E HN 0.423 nan 8.360 nan 0.000 0.460 244 E N -0.628 119.605 120.200 0.055 0.000 2.046 244 E HA -0.168 4.178 4.350 -0.006 0.000 0.190 244 E C 1.790 178.420 176.600 0.050 0.000 0.982 244 E CA 0.799 57.223 56.400 0.039 0.000 0.800 244 E CB -0.292 29.429 29.700 0.035 0.000 0.756 244 E HN 0.224 nan 8.360 nan 0.000 0.449 245 Y N 1.719 122.003 120.300 -0.026 0.000 2.081 245 Y HA -0.224 4.322 4.550 -0.007 0.000 0.280 245 Y C 2.401 178.293 175.900 -0.014 0.000 1.163 245 Y CA 1.953 60.035 58.100 -0.030 0.000 1.135 245 Y CB -0.887 37.556 38.460 -0.029 0.000 0.970 245 Y HN 0.026 nan 8.280 nan 0.000 0.498 246 G N -0.424 108.379 108.800 0.005 0.000 2.469 246 G HA2 -0.318 3.639 3.960 -0.006 0.000 0.219 246 G HA3 -0.318 3.639 3.960 -0.006 0.000 0.219 246 G C 1.830 176.668 174.900 -0.103 0.000 1.150 246 G CA 1.333 46.398 45.100 -0.059 0.000 0.763 246 G HN 0.645 nan 8.290 nan 0.000 0.561 247 A N -0.186 122.594 122.820 -0.066 0.000 1.930 247 A HA 0.150 4.467 4.320 -0.006 0.000 0.217 247 A C 2.606 180.131 177.584 -0.098 0.000 1.175 247 A CA 1.668 53.668 52.037 -0.062 0.000 0.627 247 A CB -0.539 18.441 19.000 -0.034 0.000 0.815 247 A HN 0.256 nan 8.150 nan 0.000 0.443 248 V N -0.270 119.559 119.914 -0.141 0.000 2.233 248 V HA -0.266 3.850 4.120 -0.006 0.000 0.247 248 V C 2.605 178.576 176.094 -0.205 0.000 1.050 248 V CA 2.162 64.361 62.300 -0.168 0.000 1.010 248 V CB -0.823 30.875 31.823 -0.208 0.000 0.637 248 V HN 0.383 nan 8.190 nan 0.000 0.444 249 V N -0.164 119.554 119.914 -0.326 0.000 2.231 249 V HA -0.342 3.774 4.120 -0.006 0.000 0.250 249 V C 2.555 178.565 176.094 -0.140 0.000 1.058 249 V CA 2.653 64.792 62.300 -0.268 0.000 1.022 249 V CB -1.037 30.601 31.823 -0.307 0.000 0.640 249 V HN 0.567 nan 8.190 nan 0.000 0.445 250 S N -1.121 114.511 115.700 -0.113 0.000 2.419 250 S HA -0.267 4.199 4.470 -0.006 0.000 0.235 250 S C 1.991 176.556 174.600 -0.060 0.000 1.019 250 S CA 1.800 59.959 58.200 -0.067 0.000 0.982 250 S CB -0.331 62.839 63.200 -0.050 0.000 0.789 250 S HN 0.782 nan 8.310 nan 0.000 0.490 251 E N 0.513 120.670 120.200 -0.072 0.000 2.216 251 E HA 0.019 4.365 4.350 -0.006 0.000 0.192 251 E C 1.831 178.396 176.600 -0.057 0.000 0.988 251 E CA 0.381 56.746 56.400 -0.058 0.000 0.834 251 E CB -0.001 29.665 29.700 -0.058 0.000 0.772 251 E HN 0.437 nan 8.360 nan 0.000 0.479 252 L N 0.471 121.652 121.223 -0.071 0.000 2.095 252 L HA -0.111 4.226 4.340 -0.006 0.000 0.204 252 L C 2.497 179.338 176.870 -0.048 0.000 1.080 252 L CA 0.922 55.725 54.840 -0.061 0.000 0.759 252 L CB -0.273 41.743 42.059 -0.072 0.000 0.914 252 L HN 0.152 nan 8.230 nan 0.000 0.439 253 Q N -0.260 119.513 119.800 -0.045 0.000 2.297 253 Q HA -0.215 4.121 4.340 -0.006 0.000 0.208 253 Q C 1.939 177.923 176.000 -0.026 0.000 0.981 253 Q CA 0.959 56.745 55.803 -0.029 0.000 0.876 253 Q CB 0.008 28.732 28.738 -0.024 0.000 0.921 253 Q HN 0.378 nan 8.270 nan 0.000 0.446 254 E N 0.338 120.519 120.200 -0.032 0.000 2.106 254 E HA -0.115 4.231 4.350 -0.006 0.000 0.192 254 E C 1.905 178.485 176.600 -0.033 0.000 0.984 254 E CA 1.053 57.436 56.400 -0.028 0.000 0.806 254 E CB -0.119 29.563 29.700 -0.029 0.000 0.750 254 E HN 0.374 nan 8.360 nan 0.000 0.458 255 A N 0.970 123.765 122.820 -0.040 0.000 1.930 255 A HA -0.119 4.198 4.320 -0.006 0.000 0.217 255 A C 2.304 179.853 177.584 -0.058 0.000 1.175 255 A CA 0.915 52.921 52.037 -0.051 0.000 0.627 255 A CB -0.525 18.440 19.000 -0.057 0.000 0.815 255 A HN 0.171 nan 8.150 nan 0.000 0.443 256 I N -0.787 119.756 120.570 -0.044 0.000 2.113 256 I HA -0.279 3.887 4.170 -0.006 0.000 0.238 256 I C 2.701 178.808 176.117 -0.017 0.000 1.070 256 I CA 1.532 62.813 61.300 -0.032 0.000 1.332 256 I CB -0.477 37.522 38.000 -0.002 0.000 1.044 256 I HN 0.276 nan 8.210 nan 0.000 0.402 257 R N 0.695 121.189 120.500 -0.010 0.000 2.139 257 R HA -0.184 4.153 4.340 -0.006 0.000 0.243 257 R C 1.853 178.147 176.300 -0.011 0.000 1.145 257 R CA 1.055 57.153 56.100 -0.003 0.000 0.976 257 R CB -0.306 29.991 30.300 -0.006 0.000 0.866 257 R HN 0.458 nan 8.270 nan 0.000 0.449 258 Q N -0.055 119.730 119.800 -0.025 0.000 2.415 258 Q HA 0.069 4.406 4.340 -0.006 0.000 0.206 258 Q C 0.663 176.637 176.000 -0.043 0.000 0.946 258 Q CA 0.724 56.509 55.803 -0.030 0.000 0.951 258 Q CB 0.498 29.214 28.738 -0.036 0.000 1.026 258 Q HN 0.517 nan 8.270 nan 0.000 0.510 259 G N 1.982 110.754 108.800 -0.047 0.000 2.371 259 G HA2 -0.295 3.662 3.960 -0.006 0.000 0.299 259 G HA3 -0.295 3.662 3.960 -0.006 0.000 0.299 259 G C 0.455 175.269 174.900 -0.144 0.000 1.014 259 G CA 0.666 45.721 45.100 -0.075 0.000 1.097 259 G HN 0.468 nan 8.290 nan 0.000 0.512 260 E N -1.116 118.983 120.200 -0.169 0.000 2.465 260 E HA 0.291 4.637 4.350 -0.006 0.000 0.209 260 E C 1.230 177.657 176.600 -0.288 0.000 0.951 260 E CA 0.891 57.180 56.400 -0.184 0.000 0.997 260 E CB 0.584 30.214 29.700 -0.117 0.000 1.025 260 E HN 0.865 nan 8.360 nan 0.000 0.500 261 I N -3.981 116.383 120.570 -0.345 0.000 2.984 261 I HA 0.318 4.484 4.170 -0.006 0.000 0.303 261 I C -0.389 175.490 176.117 -0.397 0.000 1.381 261 I CA -0.899 60.148 61.300 -0.423 0.000 0.988 261 I CB 1.206 39.100 38.000 -0.178 0.000 1.307 261 I HN -0.248 nan 8.210 nan 0.000 0.460 262 F N 0.620 120.566 119.950 -0.007 0.000 2.559 262 F HA 0.364 4.889 4.527 -0.004 0.000 0.286 262 F C 0.587 176.387 175.800 0.001 0.000 1.108 262 F CA -0.096 57.902 58.000 -0.004 0.000 1.436 262 F CB 0.540 39.536 39.000 -0.006 0.000 1.130 262 F HN 0.448 nan 8.300 nan 0.000 0.584 263 Q N 0.072 119.973 119.800 0.169 0.000 2.353 263 Q HA 0.596 4.933 4.340 -0.006 0.000 0.275 263 Q C -1.620 174.417 176.000 0.063 0.000 1.029 263 Q CA -0.583 55.285 55.803 0.109 0.000 0.848 263 Q CB 3.657 32.465 28.738 0.116 0.000 1.390 263 Q HN -0.080 nan 8.270 nan 0.000 0.401 264 V N 1.236 121.179 119.914 0.049 0.000 3.087 264 V HA 0.649 4.766 4.120 -0.006 0.000 0.306 264 V C -1.858 174.268 176.094 0.054 0.000 1.187 264 V CA -0.562 61.762 62.300 0.039 0.000 0.999 264 V CB 2.551 34.382 31.823 0.013 0.000 1.049 264 V HN 0.577 nan 8.190 nan 0.000 0.431 265 V N 6.886 126.841 119.914 0.069 0.000 2.315 265 V HA 0.421 4.538 4.120 -0.006 0.000 0.265 265 V C -2.338 173.822 176.094 0.110 0.000 1.019 265 V CA -1.245 61.114 62.300 0.097 0.000 0.824 265 V CB 1.145 33.036 31.823 0.115 0.000 1.072 265 V HN 0.819 nan 8.190 nan 0.000 0.448 266 P HA 0.303 nan 4.420 nan 0.000 0.275 266 P C -0.204 177.226 177.300 0.215 0.000 1.228 266 P CA 0.268 63.429 63.100 0.102 0.000 0.786 266 P CB 1.673 33.373 31.700 0.000 0.000 0.927 267 S N 1.898 117.682 115.700 0.140 0.000 2.745 267 S HA 0.892 5.358 4.470 -0.006 0.000 0.306 267 S C -0.387 174.156 174.600 -0.094 0.000 1.137 267 S CA -0.852 57.350 58.200 0.003 0.000 0.900 267 S CB 2.339 65.432 63.200 -0.177 0.000 1.176 267 S HN 0.725 nan 8.310 nan 0.000 0.520 268 R N -0.499 119.783 120.500 -0.363 0.000 2.764 268 R HA 0.646 4.982 4.340 -0.006 0.000 0.270 268 R C -1.635 174.267 176.300 -0.663 0.000 1.014 268 R CA -1.138 54.678 56.100 -0.472 0.000 0.904 268 R CB 1.204 31.159 30.300 -0.576 0.000 1.236 268 R HN 0.640 nan 8.270 nan 0.000 0.466 269 R N 1.097 121.236 120.500 -0.602 0.000 2.295 269 R HA 0.354 4.690 4.340 -0.006 0.000 0.324 269 R C -1.215 174.762 176.300 -0.538 0.000 0.968 269 R CA -0.421 55.372 56.100 -0.511 0.000 0.837 269 R CB 1.185 31.319 30.300 -0.278 0.000 1.133 269 R HN 0.411 nan 8.270 nan 0.000 0.450 270 F N 1.191 121.046 119.950 -0.160 0.000 2.361 270 F HA 0.232 4.755 4.527 -0.006 0.000 0.364 270 F C 0.852 176.580 175.800 -0.120 0.000 1.120 270 F CA -0.457 57.456 58.000 -0.146 0.000 1.102 270 F CB 1.712 40.602 39.000 -0.182 0.000 1.183 270 F HN 0.333 nan 8.300 nan 0.000 0.476 271 S N 5.069 120.800 115.700 0.052 0.000 2.525 271 S HA 0.692 5.158 4.470 -0.006 0.000 0.278 271 S C -1.012 173.578 174.600 -0.017 0.000 1.234 271 S CA -0.535 57.659 58.200 -0.009 0.000 1.058 271 S CB 0.760 63.922 63.200 -0.063 0.000 0.983 271 S HN 0.543 nan 8.310 nan 0.000 0.495 272 L N 6.378 127.586 121.223 -0.026 0.000 2.614 272 L HA 0.495 4.831 4.340 -0.006 0.000 0.264 272 L C -2.884 174.000 176.870 0.024 0.000 0.940 272 L CA -1.669 53.166 54.840 -0.007 0.000 0.903 272 L CB 1.824 43.883 42.059 -0.000 0.000 1.306 272 L HN 0.448 nan 8.230 nan 0.000 0.410 273 P HA 0.015 nan 4.420 nan 0.000 0.261 273 P C -0.661 176.651 177.300 0.021 0.000 1.173 273 P CA 0.271 63.431 63.100 0.100 0.000 0.760 273 P CB 0.214 31.954 31.700 0.067 0.000 0.783 274 C N 6.809 126.135 119.300 0.043 0.000 3.287 274 C HA 0.367 4.824 4.460 -0.006 0.000 0.260 274 C C -1.571 173.435 174.990 0.027 0.000 1.133 274 C CA -1.884 57.151 59.018 0.027 0.000 1.402 274 C CB -0.130 27.763 27.740 0.256 0.000 1.832 274 C HN 0.515 nan 8.230 nan 0.000 0.509 275 P HA 0.016 nan 4.420 nan 0.000 0.215 275 P C 0.282 177.684 177.300 0.170 0.000 1.157 275 P CA 1.281 64.391 63.100 0.018 0.000 0.863 275 P CB 0.255 31.937 31.700 -0.029 0.000 0.787 276 A N -0.958 122.086 122.820 0.373 0.000 2.511 276 A HA 0.426 4.742 4.320 -0.006 0.000 0.340 276 A C -1.945 175.741 177.584 0.171 0.000 1.396 276 A CA -1.379 50.784 52.037 0.210 0.000 0.887 276 A CB 0.435 19.486 19.000 0.085 0.000 1.145 276 A HN 0.010 nan 8.150 nan 0.000 0.497 277 P HA -0.143 nan 4.420 nan 0.000 0.217 277 P C 1.438 178.738 177.300 0.001 0.000 1.150 277 P CA 0.472 63.723 63.100 0.252 0.000 0.832 277 P CB 0.239 32.209 31.700 0.450 0.000 0.787 278 L N -1.077 120.121 121.223 -0.043 0.000 2.456 278 L HA -0.014 4.323 4.340 -0.006 0.000 0.224 278 L C 1.927 178.550 176.870 -0.411 0.000 1.148 278 L CA 1.342 55.866 54.840 -0.525 0.000 0.825 278 L CB -0.992 40.669 42.059 -0.663 0.000 0.937 278 L HN 0.078 nan 8.230 nan 0.000 0.450 279 G N 0.845 109.419 108.800 -0.377 0.000 2.425 279 G HA2 -0.126 3.830 3.960 -0.006 0.000 0.213 279 G HA3 -0.126 3.830 3.960 -0.006 0.000 0.213 279 G C -0.608 174.046 174.900 -0.410 0.000 1.201 279 G CA 0.545 45.319 45.100 -0.542 0.000 0.799 279 G HN 0.324 nan 8.290 nan 0.000 0.534 280 P HA -0.227 nan 4.420 nan 0.000 0.214 280 P C 1.649 178.808 177.300 -0.234 0.000 1.163 280 P CA 1.359 64.347 63.100 -0.186 0.000 0.883 280 P CB -0.256 31.465 31.700 0.035 0.000 0.788 281 Y N 1.496 121.384 120.300 -0.687 0.000 2.096 281 Y HA -0.283 4.264 4.550 -0.006 0.000 0.278 281 Y C 2.901 178.616 175.900 -0.307 0.000 1.192 281 Y CA 2.480 60.201 58.100 -0.631 0.000 1.143 281 Y CB -1.307 36.698 38.460 -0.758 0.000 0.963 281 Y HN -0.030 nan 8.280 nan 0.000 0.505 282 Q N -0.648 118.901 119.800 -0.417 0.000 2.061 282 Q HA -0.204 4.133 4.340 -0.006 0.000 0.204 282 Q C 2.033 177.844 176.000 -0.315 0.000 0.984 282 Q CA 2.782 58.342 55.803 -0.406 0.000 0.846 282 Q CB -0.266 28.326 28.738 -0.244 0.000 0.902 282 Q HN 0.563 nan 8.270 nan 0.000 0.421 283 T N 1.308 115.729 114.554 -0.222 0.000 2.788 283 T HA -0.153 4.194 4.350 -0.006 0.000 0.268 283 T C 1.685 176.305 174.700 -0.134 0.000 1.044 283 T CA 1.126 63.143 62.100 -0.139 0.000 1.139 283 T CB -0.269 68.537 68.868 -0.103 0.000 0.867 283 T HN 0.229 nan 8.240 nan 0.000 0.454 284 L N 1.489 122.618 121.223 -0.156 0.000 2.046 284 L HA 0.016 4.353 4.340 -0.006 0.000 0.208 284 L C 2.350 179.128 176.870 -0.154 0.000 1.077 284 L CA 1.826 56.608 54.840 -0.096 0.000 0.747 284 L CB -0.476 41.586 42.059 0.005 0.000 0.896 284 L HN 0.097 nan 8.230 nan 0.000 0.432 285 K N -1.090 119.106 120.400 -0.341 0.000 2.211 285 K HA -0.167 4.149 4.320 -0.006 0.000 0.203 285 K C 1.453 177.974 176.600 -0.133 0.000 1.050 285 K CA 1.528 57.640 56.287 -0.291 0.000 0.945 285 K CB -0.031 32.183 32.500 -0.477 0.000 0.732 285 K HN 0.395 nan 8.250 nan 0.000 0.451 286 D N 0.183 120.512 120.400 -0.119 0.000 2.149 286 D HA -0.065 4.572 4.640 -0.006 0.000 0.206 286 D C 1.334 177.649 176.300 0.025 0.000 0.967 286 D CA 1.093 55.069 54.000 -0.040 0.000 0.848 286 D CB -0.228 40.537 40.800 -0.059 0.000 0.998 286 D HN 0.346 nan 8.370 nan 0.000 0.474 287 N N 0.279 118.972 118.700 -0.012 0.000 2.354 287 N HA -0.001 4.735 4.740 -0.006 0.000 0.179 287 N C 0.026 175.544 175.510 0.014 0.000 1.021 287 N CA 0.491 53.525 53.050 -0.028 0.000 0.887 287 N CB 0.314 38.772 38.487 -0.048 0.000 0.974 287 N HN 0.043 nan 8.380 nan 0.000 0.437 288 N N 0.859 119.603 118.700 0.075 0.000 2.672 288 N HA 0.180 4.917 4.740 -0.006 0.000 0.295 288 N C -2.852 172.752 175.510 0.157 0.000 1.924 288 N CA -0.661 52.475 53.050 0.143 0.000 0.851 288 N CB 1.493 40.039 38.487 0.098 0.000 1.281 288 N HN 0.145 nan 8.380 nan 0.000 0.494 289 P HA 0.025 nan 4.420 nan 0.000 0.267 289 P C 0.008 177.352 177.300 0.074 0.000 1.200 289 P CA 0.472 63.615 63.100 0.071 0.000 0.772 289 P CB 1.017 32.729 31.700 0.019 0.000 0.855 290 S N 0.847 116.562 115.700 0.025 0.000 2.595 290 S HA 0.418 4.884 4.470 -0.006 0.000 0.270 290 S C -2.630 171.971 174.600 0.001 0.000 1.145 290 S CA -1.014 57.207 58.200 0.034 0.000 0.825 290 S CB 1.530 64.845 63.200 0.192 0.000 1.107 290 S HN 0.271 nan 8.310 nan 0.000 0.461 291 P HA 0.119 nan 4.420 nan 0.000 0.237 291 P C -0.622 176.654 177.300 -0.040 0.000 1.178 291 P CA 0.762 63.840 63.100 -0.037 0.000 0.766 291 P CB -0.363 31.340 31.700 0.004 0.000 0.876 292 Y N -0.090 120.285 120.300 0.125 0.000 2.628 292 Y HA 0.436 4.982 4.550 -0.007 0.000 0.354 292 Y C 0.487 176.565 175.900 0.297 0.000 1.061 292 Y CA -0.457 57.774 58.100 0.219 0.000 1.251 292 Y CB 0.751 39.338 38.460 0.212 0.000 1.098 292 Y HN -0.217 nan 8.280 nan 0.000 0.626 293 M N 3.307 123.119 119.600 0.354 0.000 2.598 293 M HA 0.686 5.163 4.480 -0.006 0.000 0.317 293 M C -1.282 175.227 176.300 0.348 0.000 1.179 293 M CA -0.905 54.549 55.300 0.256 0.000 0.936 293 M CB 2.252 34.978 32.600 0.209 0.000 1.713 293 M HN 0.394 nan 8.290 nan 0.000 0.460 294 F N 0.107 120.249 119.950 0.319 0.000 2.641 294 F HA 0.742 5.265 4.527 -0.007 0.000 0.308 294 F C -1.985 173.820 175.800 0.009 0.000 1.105 294 F CA -1.299 56.796 58.000 0.159 0.000 0.964 294 F CB 1.080 40.177 39.000 0.161 0.000 1.294 294 F HN 0.433 nan 8.300 nan 0.000 0.442 295 F N 4.487 124.323 119.950 -0.189 0.000 2.612 295 F HA 0.589 5.112 4.527 -0.007 0.000 0.332 295 F C -1.279 174.431 175.800 -0.150 0.000 1.167 295 F CA -0.868 56.885 58.000 -0.412 0.000 0.970 295 F CB 1.758 40.093 39.000 -1.107 0.000 1.234 295 F HN 0.734 nan 8.300 nan 0.000 0.453 296 M N 6.423 125.862 119.600 -0.267 0.000 2.044 296 M HA 0.328 4.804 4.480 -0.006 0.000 0.333 296 M C -0.969 175.224 176.300 -0.179 0.000 1.004 296 M CA -0.509 54.761 55.300 -0.050 0.000 0.954 296 M CB 1.034 33.682 32.600 0.079 0.000 1.468 296 M HN 0.721 nan 8.290 nan 0.000 0.414 297 Q N 3.666 123.473 119.800 0.013 0.000 2.566 297 Q HA 0.165 4.501 4.340 -0.006 0.000 0.221 297 Q C -1.093 174.872 176.000 -0.059 0.000 1.195 297 Q CA -0.171 55.636 55.803 0.006 0.000 0.967 297 Q CB 0.532 29.456 28.738 0.310 0.000 1.337 297 Q HN 0.686 nan 8.270 nan 0.000 0.553 298 D N 0.765 120.964 120.400 -0.335 0.000 2.432 298 D HA 0.073 4.709 4.640 -0.006 0.000 0.258 298 D C 0.217 176.323 176.300 -0.323 0.000 1.146 298 D CA -0.378 53.383 54.000 -0.399 0.000 1.015 298 D CB 1.240 41.403 40.800 -1.062 0.000 1.107 298 D HN 0.348 nan 8.370 nan 0.000 0.529 299 D N -0.423 119.857 120.400 -0.201 0.000 2.178 299 D HA -0.075 4.561 4.640 -0.006 0.000 0.202 299 D C 0.442 176.694 176.300 -0.080 0.000 0.974 299 D CA 1.055 54.993 54.000 -0.104 0.000 0.841 299 D CB 0.084 40.862 40.800 -0.037 0.000 0.953 299 D HN 0.370 nan 8.370 nan 0.000 0.478 300 D N -1.163 119.184 120.400 -0.087 0.000 2.398 300 D HA 0.162 4.799 4.640 -0.006 0.000 0.210 300 D C 0.187 176.596 176.300 0.182 0.000 1.094 300 D CA 0.046 54.112 54.000 0.110 0.000 0.839 300 D CB 0.828 41.811 40.800 0.304 0.000 0.963 300 D HN 0.266 nan 8.370 nan 0.000 0.506 301 F N -1.334 118.590 119.950 -0.043 0.000 2.944 301 F HA 0.375 4.899 4.527 -0.006 0.000 0.324 301 F C -1.629 174.079 175.800 -0.154 0.000 1.151 301 F CA -1.318 56.565 58.000 -0.196 0.000 0.883 301 F CB 0.644 39.420 39.000 -0.373 0.000 1.341 301 F HN -0.272 nan 8.300 nan 0.000 0.456 302 T N 1.236 115.741 114.554 -0.081 0.000 2.881 302 T HA 0.690 5.036 4.350 -0.006 0.000 0.290 302 T C -1.585 173.127 174.700 0.021 0.000 1.000 302 T CA -0.578 61.441 62.100 -0.135 0.000 0.978 302 T CB 1.854 70.643 68.868 -0.133 0.000 0.997 302 T HN 1.018 nan 8.240 nan 0.000 0.443 303 L N 4.806 126.060 121.223 0.051 0.000 2.356 303 L HA 0.815 5.152 4.340 -0.006 0.000 0.277 303 L C -1.687 175.241 176.870 0.096 0.000 0.996 303 L CA -1.126 53.803 54.840 0.148 0.000 0.822 303 L CB 1.234 43.535 42.059 0.404 0.000 1.256 303 L HN 0.918 nan 8.230 nan 0.000 0.413 304 F N 2.592 122.581 119.950 0.064 0.000 2.631 304 F HA 0.963 5.486 4.527 -0.007 0.000 0.308 304 F C -0.383 175.314 175.800 -0.172 0.000 1.097 304 F CA -0.526 57.398 58.000 -0.128 0.000 0.952 304 F CB 1.659 40.567 39.000 -0.153 0.000 1.307 304 F HN 0.508 nan 8.300 nan 0.000 0.450 305 G N 0.002 108.402 108.800 -0.666 0.000 2.488 305 G HA2 0.764 4.721 3.960 -0.006 0.000 0.301 305 G HA3 0.764 4.721 3.960 -0.006 0.000 0.301 305 G C -2.429 172.195 174.900 -0.459 0.000 1.339 305 G CA -0.505 44.363 45.100 -0.386 0.000 0.803 305 G HN 1.473 nan 8.290 nan 0.000 0.482 306 A N -0.349 122.450 122.820 -0.034 0.000 2.402 306 A HA 0.827 5.143 4.320 -0.006 0.000 0.291 306 A C -0.480 177.242 177.584 0.229 0.000 1.051 306 A CA -0.167 51.929 52.037 0.098 0.000 0.716 306 A CB 1.700 20.763 19.000 0.104 0.000 1.223 306 A HN 1.355 nan 8.150 nan 0.000 0.425 307 S N 2.834 118.734 115.700 0.334 0.000 2.501 307 S HA 0.683 5.149 4.470 -0.006 0.000 0.301 307 S C -1.484 173.259 174.600 0.239 0.000 1.096 307 S CA -1.711 56.656 58.200 0.279 0.000 1.063 307 S CB 1.383 64.762 63.200 0.298 0.000 1.042 307 S HN 0.594 nan 8.310 nan 0.000 0.494 308 P HA 0.004 nan 4.420 nan 0.000 0.223 308 P C 0.052 177.431 177.300 0.131 0.000 1.151 308 P CA 1.096 64.279 63.100 0.137 0.000 0.787 308 P CB 0.214 31.829 31.700 -0.142 0.000 0.788 309 E N -1.948 118.213 120.200 -0.065 0.000 2.382 309 E HA 0.264 4.610 4.350 -0.006 0.000 0.280 309 E C -1.224 174.934 176.600 -0.738 0.000 1.161 309 E CA -0.629 55.601 56.400 -0.283 0.000 0.905 309 E CB 0.266 29.867 29.700 -0.165 0.000 1.268 309 E HN -0.198 nan 8.360 nan 0.000 0.426 310 S N 0.599 115.628 115.700 -1.119 0.000 2.553 310 S HA 0.275 4.742 4.470 -0.006 0.000 0.293 310 S C 0.713 175.071 174.600 -0.404 0.000 1.296 310 S CA 0.802 58.466 58.200 -0.894 0.000 1.046 310 S CB 0.272 63.136 63.200 -0.559 0.000 0.810 310 S HN 0.709 nan 8.310 nan 0.000 0.505 311 A N 4.144 126.830 122.820 -0.223 0.000 1.919 311 A HA 0.459 4.776 4.320 -0.006 0.000 0.211 311 A C 0.175 177.755 177.584 -0.007 0.000 1.310 311 A CA 0.291 52.277 52.037 -0.085 0.000 0.651 311 A CB -0.188 18.783 19.000 -0.049 0.000 0.996 311 A HN 0.645 nan 8.150 nan 0.000 0.479 312 L N -0.072 121.161 121.223 0.017 0.000 2.385 312 L HA 0.542 4.878 4.340 -0.006 0.000 0.273 312 L C -0.645 176.284 176.870 0.100 0.000 0.990 312 L CA -0.360 54.509 54.840 0.049 0.000 0.821 312 L CB 1.832 43.897 42.059 0.010 0.000 1.279 312 L HN 0.266 nan 8.230 nan 0.000 0.412 313 K N 3.652 124.149 120.400 0.161 0.000 2.371 313 K HA 0.445 4.762 4.320 -0.006 0.000 0.251 313 K C -2.208 174.535 176.600 0.239 0.000 0.934 313 K CA -0.665 55.739 56.287 0.195 0.000 0.798 313 K CB 2.213 34.872 32.500 0.265 0.000 1.204 313 K HN 0.564 nan 8.250 nan 0.000 0.427 314 Y N 2.452 122.783 120.300 0.052 0.000 2.401 314 Y HA 0.244 4.790 4.550 -0.007 0.000 0.330 314 Y C -1.576 174.355 175.900 0.051 0.000 1.071 314 Y CA -1.250 56.873 58.100 0.037 0.000 1.049 314 Y CB 1.497 39.963 38.460 0.010 0.000 1.239 314 Y HN 0.562 nan 8.280 nan 0.000 0.437 315 D N 4.768 124.888 120.400 -0.467 0.000 2.373 315 D HA 0.394 5.030 4.640 -0.006 0.000 0.227 315 D C 0.561 176.325 176.300 -0.894 0.000 1.091 315 D CA 0.372 54.093 54.000 -0.465 0.000 0.840 315 D CB 1.944 42.637 40.800 -0.178 0.000 1.060 315 D HN 0.814 nan 8.370 nan 0.000 0.502 316 A N 3.654 126.034 122.820 -0.733 0.000 1.969 316 A HA 0.012 4.329 4.320 -0.006 0.000 0.218 316 A C 1.971 179.420 177.584 -0.225 0.000 1.169 316 A CA 1.609 53.337 52.037 -0.515 0.000 0.635 316 A CB -0.652 18.246 19.000 -0.171 0.000 0.810 316 A HN 0.649 nan 8.150 nan 0.000 0.445 317 G N 1.263 109.964 108.800 -0.166 0.000 2.545 317 G HA2 -0.347 3.609 3.960 -0.006 0.000 0.217 317 G HA3 -0.347 3.609 3.960 -0.006 0.000 0.217 317 G C 1.136 176.005 174.900 -0.052 0.000 1.218 317 G CA 1.207 46.261 45.100 -0.075 0.000 0.787 317 G HN 0.868 nan 8.290 nan 0.000 0.571 318 N N -1.287 117.377 118.700 -0.061 0.000 2.238 318 N HA 0.192 4.929 4.740 -0.006 0.000 0.222 318 N C 0.667 176.181 175.510 0.006 0.000 1.133 318 N CA -0.214 52.827 53.050 -0.014 0.000 0.854 318 N CB 0.241 38.729 38.487 0.001 0.000 1.041 318 N HN 0.223 nan 8.380 nan 0.000 0.510 319 R N -0.210 120.275 120.500 -0.025 0.000 3.932 319 R HA -0.230 4.106 4.340 -0.006 0.000 0.318 319 R C -0.473 175.974 176.300 0.245 0.000 1.219 319 R CA 0.705 56.895 56.100 0.150 0.000 0.889 319 R CB -1.809 28.603 30.300 0.187 0.000 1.309 319 R HN 0.606 nan 8.270 nan 0.000 0.537 320 Q N 1.262 121.118 119.800 0.094 0.000 2.296 320 Q HA 0.333 4.669 4.340 -0.006 0.000 0.263 320 Q C -0.535 175.595 176.000 0.217 0.000 1.026 320 Q CA -0.115 55.757 55.803 0.115 0.000 0.912 320 Q CB 0.648 29.415 28.738 0.047 0.000 1.198 320 Q HN 0.247 nan 8.270 nan 0.000 0.407 321 I N 3.971 124.663 120.570 0.204 0.000 2.392 321 I HA 0.284 4.451 4.170 -0.006 0.000 0.295 321 I C -1.036 175.103 176.117 0.037 0.000 0.985 321 I CA 0.058 61.466 61.300 0.180 0.000 1.221 321 I CB 1.310 39.331 38.000 0.035 0.000 1.366 321 I HN 0.672 nan 8.210 nan 0.000 0.467 322 E N 7.146 127.380 120.200 0.056 0.000 2.340 322 E HA 0.611 4.957 4.350 -0.006 0.000 0.273 322 E C -1.292 175.330 176.600 0.037 0.000 0.891 322 E CA -0.715 55.670 56.400 -0.024 0.000 0.757 322 E CB 2.662 32.342 29.700 -0.033 0.000 1.231 322 E HN 0.421 nan 8.360 nan 0.000 0.439 323 I N 1.579 122.103 120.570 -0.076 0.000 2.730 323 I HA 0.347 4.514 4.170 -0.006 0.000 0.298 323 I C -1.347 174.766 176.117 -0.007 0.000 1.089 323 I CA -0.971 60.341 61.300 0.020 0.000 1.041 323 I CB 1.559 39.515 38.000 -0.073 0.000 1.235 323 I HN 0.557 nan 8.210 nan 0.000 0.423 324 Y N 4.616 124.880 120.300 -0.060 0.000 2.592 324 Y HA 0.286 4.831 4.550 -0.008 0.000 0.354 324 Y C -2.294 173.588 175.900 -0.030 0.000 1.063 324 Y CA -2.588 55.491 58.100 -0.035 0.000 1.205 324 Y CB 0.474 38.920 38.460 -0.023 0.000 1.106 324 Y HN 0.270 nan 8.280 nan 0.000 0.649 325 P HA 0.111 nan 4.420 nan 0.000 0.268 325 P C -0.076 177.315 177.300 0.152 0.000 1.204 325 P CA 0.417 63.555 63.100 0.063 0.000 0.768 325 P CB 1.499 33.177 31.700 -0.037 0.000 0.842 326 I N 2.493 123.131 120.570 0.113 0.000 2.312 326 I HA 0.192 4.358 4.170 -0.006 0.000 0.290 326 I C 1.462 177.670 176.117 0.151 0.000 1.008 326 I CA -0.568 60.790 61.300 0.096 0.000 1.226 326 I CB 1.652 39.636 38.000 -0.027 0.000 1.371 326 I HN 0.369 nan 8.210 nan 0.000 0.468 327 A N 5.332 128.227 122.820 0.125 0.000 1.874 327 A HA 0.400 4.717 4.320 -0.006 0.000 0.214 327 A C 1.057 178.647 177.584 0.011 0.000 1.189 327 A CA 1.095 53.151 52.037 0.032 0.000 0.615 327 A CB -0.131 18.506 19.000 -0.605 0.000 0.830 327 A HN 0.779 nan 8.150 nan 0.000 0.443 328 G N -3.147 105.651 108.800 -0.003 0.000 2.677 328 G HA2 0.521 4.477 3.960 -0.006 0.000 0.291 328 G HA3 0.521 4.477 3.960 -0.006 0.000 0.291 328 G C -1.207 173.741 174.900 0.081 0.000 1.435 328 G CA 0.056 45.173 45.100 0.029 0.000 0.826 328 G HN 0.145 nan 8.290 nan 0.000 0.491 329 T N 0.363 114.972 114.554 0.093 0.000 2.906 329 T HA 0.854 5.200 4.350 -0.006 0.000 0.295 329 T C -0.784 173.944 174.700 0.047 0.000 1.075 329 T CA -0.729 61.451 62.100 0.134 0.000 1.005 329 T CB 1.862 70.883 68.868 0.255 0.000 1.136 329 T HN 0.549 nan 8.240 nan 0.000 0.498 330 R N 1.613 122.111 120.500 -0.004 0.000 2.634 330 R HA 0.368 4.704 4.340 -0.006 0.000 0.263 330 R C -3.162 173.125 176.300 -0.022 0.000 1.060 330 R CA -1.825 54.270 56.100 -0.009 0.000 0.898 330 R CB 1.796 32.086 30.300 -0.016 0.000 1.253 330 R HN 0.411 nan 8.270 nan 0.000 0.461 331 P HA 0.139 nan 4.420 nan 0.000 0.276 331 P C -0.331 176.980 177.300 0.018 0.000 1.230 331 P CA -0.397 62.718 63.100 0.025 0.000 0.776 331 P CB 0.705 32.421 31.700 0.027 0.000 0.888 332 R N 1.546 122.068 120.500 0.037 0.000 2.811 332 R HA 0.155 4.492 4.340 -0.006 0.000 0.265 332 R C 1.075 177.391 176.300 0.027 0.000 1.026 332 R CA 0.289 56.404 56.100 0.026 0.000 1.142 332 R CB -0.270 30.057 30.300 0.044 0.000 1.027 332 R HN 0.606 nan 8.270 nan 0.000 0.465 333 G N 2.209 111.018 108.800 0.016 0.000 2.365 333 G HA2 0.272 4.229 3.960 -0.006 0.000 0.293 333 G HA3 0.272 4.229 3.960 -0.006 0.000 0.293 333 G C -0.121 174.793 174.900 0.023 0.000 1.128 333 G CA -0.387 44.722 45.100 0.015 0.000 0.971 333 G HN 0.319 nan 8.290 nan 0.000 0.422 334 R N 1.674 122.190 120.500 0.027 0.000 2.740 334 R HA 0.411 4.748 4.340 -0.006 0.000 0.282 334 R C 0.177 176.490 176.300 0.022 0.000 0.969 334 R CA -0.886 55.233 56.100 0.031 0.000 0.918 334 R CB 2.366 32.696 30.300 0.048 0.000 1.175 334 R HN 0.533 nan 8.270 nan 0.000 0.464 335 R N 0.521 121.034 120.500 0.021 0.000 2.560 335 R HA 0.213 4.549 4.340 -0.006 0.000 0.270 335 R C 1.118 177.427 176.300 0.015 0.000 1.074 335 R CA 0.089 56.198 56.100 0.015 0.000 1.140 335 R CB 0.641 30.949 30.300 0.013 0.000 1.073 335 R HN 0.764 nan 8.270 nan 0.000 0.527 336 A N 1.951 124.777 122.820 0.011 0.000 1.915 336 A HA -0.252 4.064 4.320 -0.006 0.000 0.220 336 A C 1.384 178.974 177.584 0.010 0.000 1.198 336 A CA 2.234 54.276 52.037 0.008 0.000 0.647 336 A CB -0.731 18.273 19.000 0.006 0.000 0.825 336 A HN 0.914 nan 8.150 nan 0.000 0.456 337 D N -1.021 119.386 120.400 0.011 0.000 2.368 337 D HA 0.202 4.838 4.640 -0.006 0.000 0.250 337 D C 1.145 177.457 176.300 0.018 0.000 1.142 337 D CA 1.015 55.023 54.000 0.012 0.000 0.925 337 D CB -1.223 39.583 40.800 0.011 0.000 0.896 337 D HN 0.963 nan 8.370 nan 0.000 0.525 338 G N -0.026 108.787 108.800 0.022 0.000 2.196 338 G HA2 -0.328 3.629 3.960 -0.006 0.000 0.268 338 G HA3 -0.328 3.629 3.960 -0.006 0.000 0.268 338 G C 0.406 175.333 174.900 0.045 0.000 0.975 338 G CA 0.837 45.959 45.100 0.035 0.000 0.648 338 G HN 0.913 nan 8.290 nan 0.000 0.538 339 S N -0.590 115.130 115.700 0.033 0.000 2.687 339 S HA 0.722 5.189 4.470 -0.006 0.000 0.283 339 S C 0.230 174.848 174.600 0.030 0.000 1.170 339 S CA -0.653 57.566 58.200 0.032 0.000 1.008 339 S CB 2.059 65.272 63.200 0.021 0.000 1.026 339 S HN 1.228 nan 8.310 nan 0.000 0.541 340 L N 2.474 123.713 121.223 0.026 0.000 2.562 340 L HA 0.274 4.610 4.340 -0.006 0.000 0.271 340 L C -0.113 176.766 176.870 0.015 0.000 1.167 340 L CA 0.632 55.485 54.840 0.022 0.000 0.917 340 L CB -0.198 41.869 42.059 0.014 0.000 1.187 340 L HN 0.807 nan 8.230 nan 0.000 0.482 341 D N 4.882 125.291 120.400 0.015 0.000 2.479 341 D HA 0.086 4.722 4.640 -0.006 0.000 0.218 341 D C 1.166 177.470 176.300 0.007 0.000 1.131 341 D CA -0.138 53.868 54.000 0.010 0.000 0.916 341 D CB 0.451 41.258 40.800 0.010 0.000 1.022 341 D HN 0.628 nan 8.370 nan 0.000 0.515 342 L N 2.263 123.490 121.223 0.005 0.000 2.129 342 L HA -0.145 4.191 4.340 -0.006 0.000 0.212 342 L C 2.085 178.956 176.870 0.001 0.000 1.087 342 L CA 1.214 56.055 54.840 0.003 0.000 0.757 342 L CB -0.153 41.908 42.059 0.003 0.000 0.896 342 L HN 0.469 nan 8.230 nan 0.000 0.434 343 D N 0.063 120.464 120.400 0.002 0.000 2.194 343 D HA -0.164 4.473 4.640 -0.006 0.000 0.204 343 D C 2.182 178.482 176.300 -0.000 0.000 0.964 343 D CA 0.751 54.752 54.000 0.001 0.000 0.846 343 D CB 0.348 41.149 40.800 0.001 0.000 0.962 343 D HN 0.246 nan 8.370 nan 0.000 0.490 344 L N 1.178 122.402 121.223 0.001 0.000 2.072 344 L HA -0.052 4.285 4.340 -0.006 0.000 0.205 344 L C 1.842 178.711 176.870 -0.001 0.000 1.079 344 L CA 1.692 56.532 54.840 0.001 0.000 0.752 344 L CB -0.793 41.268 42.059 0.004 0.000 0.906 344 L HN -0.158 nan 8.230 nan 0.000 0.436 345 D N -0.867 119.533 120.400 -0.001 0.000 2.133 345 D HA -0.235 4.402 4.640 -0.006 0.000 0.195 345 D C 2.399 178.693 176.300 -0.010 0.000 0.997 345 D CA 1.604 55.601 54.000 -0.005 0.000 0.840 345 D CB -0.032 40.765 40.800 -0.004 0.000 0.947 345 D HN 0.562 nan 8.370 nan 0.000 0.452 346 S N -0.086 115.609 115.700 -0.008 0.000 2.402 346 S HA -0.168 4.298 4.470 -0.006 0.000 0.229 346 S C 1.872 176.465 174.600 -0.012 0.000 1.021 346 S CA 0.686 58.880 58.200 -0.010 0.000 0.974 346 S CB -0.408 62.788 63.200 -0.007 0.000 0.800 346 S HN 0.370 nan 8.310 nan 0.000 0.484 347 R N 0.621 121.116 120.500 -0.009 0.000 2.240 347 R HA 0.308 4.645 4.340 -0.006 0.000 0.203 347 R C 1.986 178.278 176.300 -0.013 0.000 1.011 347 R CA 0.728 56.822 56.100 -0.010 0.000 1.007 347 R CB -0.653 29.644 30.300 -0.006 0.000 0.911 347 R HN 0.450 nan 8.270 nan 0.000 0.468 348 I N 1.638 122.200 120.570 -0.013 0.000 2.406 348 I HA -0.139 4.028 4.170 -0.006 0.000 0.249 348 I C 2.618 178.721 176.117 -0.023 0.000 1.122 348 I CA 1.035 62.327 61.300 -0.015 0.000 1.431 348 I CB -0.153 37.840 38.000 -0.011 0.000 1.087 348 I HN 0.242 nan 8.210 nan 0.000 0.424 349 E N 1.057 121.242 120.200 -0.026 0.000 2.077 349 E HA -0.269 4.077 4.350 -0.006 0.000 0.193 349 E C 2.214 178.792 176.600 -0.037 0.000 0.989 349 E CA 1.192 57.572 56.400 -0.033 0.000 0.800 349 E CB 0.063 29.745 29.700 -0.030 0.000 0.746 349 E HN 0.287 nan 8.360 nan 0.000 0.452 350 L N 1.686 122.890 121.223 -0.032 0.000 2.056 350 L HA -0.170 4.167 4.340 -0.006 0.000 0.207 350 L C 2.342 179.184 176.870 -0.047 0.000 1.078 350 L CA 1.932 56.750 54.840 -0.037 0.000 0.749 350 L CB -0.531 41.512 42.059 -0.027 0.000 0.901 350 L HN 0.152 nan 8.230 nan 0.000 0.433 351 E N -0.225 119.952 120.200 -0.037 0.000 2.077 351 E HA -0.307 4.040 4.350 -0.006 0.000 0.193 351 E C 2.175 178.746 176.600 -0.049 0.000 0.989 351 E CA 2.001 58.378 56.400 -0.038 0.000 0.800 351 E CB -0.317 29.370 29.700 -0.022 0.000 0.746 351 E HN 0.642 nan 8.360 nan 0.000 0.452 352 M N 0.345 119.918 119.600 -0.044 0.000 2.086 352 M HA -0.139 4.337 4.480 -0.006 0.000 0.261 352 M C 2.256 178.512 176.300 -0.074 0.000 1.067 352 M CA 1.592 56.863 55.300 -0.048 0.000 1.116 352 M CB -0.042 32.532 32.600 -0.042 0.000 1.348 352 M HN -0.082 nan 8.290 nan 0.000 0.407 353 R N -0.290 120.164 120.500 -0.077 0.000 2.341 353 R HA -0.055 4.281 4.340 -0.006 0.000 0.213 353 R C 0.840 177.061 176.300 -0.132 0.000 1.082 353 R CA 1.482 57.526 56.100 -0.093 0.000 1.017 353 R CB -0.359 29.897 30.300 -0.073 0.000 0.860 353 R HN 0.591 nan 8.270 nan 0.000 0.473 354 T N -3.553 110.906 114.554 -0.159 0.000 3.288 354 T HA 0.050 4.396 4.350 -0.006 0.000 0.293 354 T C 0.756 175.246 174.700 -0.349 0.000 1.008 354 T CA -0.498 61.426 62.100 -0.293 0.000 0.929 354 T CB 0.540 69.275 68.868 -0.223 0.000 1.152 354 T HN -0.084 nan 8.240 nan 0.000 0.517 355 D N 1.905 122.197 120.400 -0.180 0.000 2.123 355 D HA -0.196 4.441 4.640 -0.006 0.000 0.196 355 D C 1.169 177.472 176.300 0.006 0.000 0.992 355 D CA 2.051 56.008 54.000 -0.072 0.000 0.833 355 D CB -0.143 40.642 40.800 -0.025 0.000 0.954 355 D HN 0.823 nan 8.370 nan 0.000 0.455 356 H N -2.209 116.865 119.070 0.007 0.000 4.738 356 H HA -0.217 4.341 4.556 0.002 0.000 0.073 356 H C 1.655 176.992 175.328 0.015 0.000 0.608 356 H CA 1.725 57.780 56.048 0.010 0.000 0.964 356 H CB -1.016 28.750 29.762 0.007 0.000 0.423 356 H HN 0.088 nan 8.280 nan 0.000 0.797 357 K N 1.576 122.068 120.400 0.154 0.000 2.001 357 K HA -0.037 4.279 4.320 -0.006 0.000 0.208 357 K C 1.742 178.391 176.600 0.083 0.000 1.048 357 K CA 1.894 58.236 56.287 0.092 0.000 0.932 357 K CB -0.196 32.347 32.500 0.071 0.000 0.715 357 K HN 0.488 nan 8.250 nan 0.000 0.437 358 E N 0.423 120.667 120.200 0.073 0.000 2.118 358 E HA -0.179 4.167 4.350 -0.006 0.000 0.195 358 E C 1.888 178.537 176.600 0.082 0.000 0.992 358 E CA 0.919 57.357 56.400 0.064 0.000 0.804 358 E CB -0.191 29.531 29.700 0.037 0.000 0.741 358 E HN 0.115 nan 8.360 nan 0.000 0.458 359 L N 0.719 121.988 121.223 0.077 0.000 2.141 359 L HA -0.086 4.250 4.340 -0.006 0.000 0.209 359 L C 2.145 179.092 176.870 0.128 0.000 1.094 359 L CA 1.658 56.557 54.840 0.098 0.000 0.763 359 L CB -0.340 41.766 42.059 0.078 0.000 0.908 359 L HN 0.006 nan 8.230 nan 0.000 0.437 360 A N -0.611 122.268 122.820 0.097 0.000 1.855 360 A HA -0.225 4.092 4.320 -0.006 0.000 0.215 360 A C 2.205 179.813 177.584 0.040 0.000 1.191 360 A CA 1.762 53.831 52.037 0.053 0.000 0.613 360 A CB -0.720 18.301 19.000 0.036 0.000 0.829 360 A HN 0.534 nan 8.150 nan 0.000 0.442 361 E N -1.512 118.726 120.200 0.062 0.000 2.085 361 E HA -0.258 4.089 4.350 -0.006 0.000 0.194 361 E C 1.915 178.556 176.600 0.068 0.000 0.994 361 E CA 1.582 58.018 56.400 0.060 0.000 0.801 361 E CB -0.244 29.501 29.700 0.076 0.000 0.743 361 E HN 0.882 nan 8.360 nan 0.000 0.453 362 H N 0.122 119.196 119.070 0.007 0.000 2.389 362 H HA 0.003 4.558 4.556 -0.002 0.000 0.299 362 H C 1.848 177.170 175.328 -0.010 0.000 1.081 362 H CA 1.203 57.253 56.048 0.002 0.000 1.345 362 H CB -0.001 29.765 29.762 0.007 0.000 1.393 362 H HN 0.072 nan 8.280 nan 0.000 0.520 363 L N -0.511 120.683 121.223 -0.050 0.000 2.093 363 L HA -0.143 4.194 4.340 -0.006 0.000 0.208 363 L C 2.552 179.333 176.870 -0.150 0.000 1.085 363 L CA 1.346 56.117 54.840 -0.115 0.000 0.755 363 L CB -0.375 41.675 42.059 -0.014 0.000 0.904 363 L HN 0.407 nan 8.230 nan 0.000 0.435 364 M N 0.164 119.697 119.600 -0.111 0.000 2.080 364 M HA -0.218 4.259 4.480 -0.006 0.000 0.260 364 M C 2.125 178.361 176.300 -0.107 0.000 1.068 364 M CA 1.905 57.141 55.300 -0.107 0.000 1.109 364 M CB -0.250 32.302 32.600 -0.080 0.000 1.342 364 M HN 0.075 nan 8.290 nan 0.000 0.405 365 L N -1.073 120.075 121.223 -0.125 0.000 2.131 365 L HA -0.179 4.157 4.340 -0.006 0.000 0.210 365 L C 2.310 179.067 176.870 -0.187 0.000 1.092 365 L CA 0.802 55.564 54.840 -0.130 0.000 0.759 365 L CB -0.877 41.117 42.059 -0.110 0.000 0.903 365 L HN 0.217 nan 8.230 nan 0.000 0.435 366 V N -0.179 119.560 119.914 -0.291 0.000 2.295 366 V HA -0.303 3.813 4.120 -0.006 0.000 0.246 366 V C 2.157 178.159 176.094 -0.153 0.000 1.049 366 V CA 1.924 64.071 62.300 -0.256 0.000 1.024 366 V CB -0.441 31.198 31.823 -0.306 0.000 0.648 366 V HN 0.417 nan 8.190 nan 0.000 0.447 367 D N -0.301 120.021 120.400 -0.130 0.000 2.144 367 D HA -0.128 4.509 4.640 -0.006 0.000 0.199 367 D C 2.109 178.359 176.300 -0.083 0.000 0.984 367 D CA 1.101 55.045 54.000 -0.093 0.000 0.834 367 D CB -0.167 40.583 40.800 -0.085 0.000 0.955 367 D HN 0.325 nan 8.370 nan 0.000 0.465 368 L N 0.375 121.547 121.223 -0.085 0.000 2.046 368 L HA -0.162 4.175 4.340 -0.006 0.000 0.208 368 L C 2.374 179.187 176.870 -0.096 0.000 1.077 368 L CA 1.168 55.962 54.840 -0.075 0.000 0.747 368 L CB -0.195 41.825 42.059 -0.064 0.000 0.896 368 L HN -0.032 nan 8.230 nan 0.000 0.432 369 A N -0.037 122.717 122.820 -0.110 0.000 1.858 369 A HA -0.252 4.065 4.320 -0.006 0.000 0.216 369 A C 2.290 179.804 177.584 -0.116 0.000 1.190 369 A CA 1.754 53.720 52.037 -0.119 0.000 0.617 369 A CB -0.555 18.369 19.000 -0.128 0.000 0.827 369 A HN 0.346 nan 8.150 nan 0.000 0.443 370 R N -0.349 120.088 120.500 -0.106 0.000 2.103 370 R HA -0.174 4.163 4.340 -0.006 0.000 0.242 370 R C 2.323 178.575 176.300 -0.080 0.000 1.142 370 R CA 1.510 57.557 56.100 -0.088 0.000 0.960 370 R CB -0.458 29.800 30.300 -0.070 0.000 0.858 370 R HN 0.740 nan 8.270 nan 0.000 0.439 371 N N 1.035 119.688 118.700 -0.079 0.000 2.080 371 N HA -0.168 4.568 4.740 -0.006 0.000 0.189 371 N C 0.992 176.447 175.510 -0.093 0.000 1.036 371 N CA 1.762 54.767 53.050 -0.074 0.000 0.846 371 N CB -0.131 38.317 38.487 -0.065 0.000 1.015 371 N HN 0.067 nan 8.380 nan 0.000 0.423 372 D N 1.151 121.484 120.400 -0.112 0.000 2.104 372 D HA -0.115 4.521 4.640 -0.006 0.000 0.194 372 D C 2.119 178.335 176.300 -0.140 0.000 0.994 372 D CA 0.669 54.585 54.000 -0.139 0.000 0.830 372 D CB -0.401 40.300 40.800 -0.164 0.000 0.959 372 D HN 0.325 nan 8.370 nan 0.000 0.452 373 L N 0.320 121.466 121.223 -0.127 0.000 2.141 373 L HA -0.078 4.258 4.340 -0.006 0.000 0.209 373 L C 2.351 179.160 176.870 -0.100 0.000 1.094 373 L CA 0.921 55.689 54.840 -0.121 0.000 0.763 373 L CB -0.403 41.584 42.059 -0.120 0.000 0.908 373 L HN -0.004 nan 8.230 nan 0.000 0.437 374 A N -0.064 122.705 122.820 -0.085 0.000 2.067 374 A HA -0.198 4.119 4.320 -0.006 0.000 0.219 374 A C 2.382 179.921 177.584 -0.076 0.000 1.158 374 A CA 1.098 53.095 52.037 -0.067 0.000 0.661 374 A CB -0.515 18.453 19.000 -0.053 0.000 0.801 374 A HN 0.353 nan 8.150 nan 0.000 0.452 375 R N 0.223 120.666 120.500 -0.094 0.000 2.236 375 R HA 0.047 4.383 4.340 -0.006 0.000 0.208 375 R C 1.253 177.483 176.300 -0.117 0.000 1.036 375 R CA 1.557 57.595 56.100 -0.103 0.000 1.001 375 R CB -0.193 30.036 30.300 -0.119 0.000 0.896 375 R HN 0.703 nan 8.270 nan 0.000 0.464 376 I N -4.299 116.198 120.570 -0.123 0.000 4.442 376 I HA 0.330 4.496 4.170 -0.006 0.000 0.331 376 I C -0.225 175.824 176.117 -0.113 0.000 1.364 376 I CA -0.785 60.432 61.300 -0.138 0.000 1.207 376 I CB 0.313 38.210 38.000 -0.172 0.000 1.298 376 I HN -0.111 nan 8.210 nan 0.000 0.463 377 C N 1.628 120.876 119.300 -0.086 0.000 2.345 377 C HA 0.422 4.878 4.460 -0.006 0.000 0.370 377 C C 0.538 175.505 174.990 -0.039 0.000 1.209 377 C CA -0.341 58.643 59.018 -0.057 0.000 2.133 377 C CB 1.579 29.292 27.740 -0.045 0.000 2.293 377 C HN 0.354 nan 8.230 nan 0.000 0.544 378 Q N 1.413 121.202 119.800 -0.018 0.000 2.274 378 Q HA 0.245 4.581 4.340 -0.006 0.000 0.280 378 Q C 0.249 176.246 176.000 -0.005 0.000 1.047 378 Q CA 0.205 56.003 55.803 -0.009 0.000 0.907 378 Q CB 0.560 29.302 28.738 0.007 0.000 1.171 378 Q HN 0.833 nan 8.270 nan 0.000 0.381 379 A N 1.958 124.770 122.820 -0.012 0.000 2.567 379 A HA 0.335 4.652 4.320 -0.006 0.000 0.240 379 A C 1.267 178.852 177.584 0.002 0.000 1.053 379 A CA 0.868 52.900 52.037 -0.009 0.000 0.755 379 A CB -0.312 18.680 19.000 -0.014 0.000 0.978 379 A HN 1.030 nan 8.150 nan 0.000 0.507 380 G N 1.180 109.986 108.800 0.010 0.000 2.159 380 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.256 380 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.256 380 G C 0.973 175.896 174.900 0.039 0.000 0.977 380 G CA 1.134 46.243 45.100 0.015 0.000 0.652 380 G HN 2.131 nan 8.290 nan 0.000 0.531 381 S N -0.965 114.772 115.700 0.062 0.000 2.502 381 S HA 0.335 4.801 4.470 -0.006 0.000 0.215 381 S C 0.969 175.705 174.600 0.227 0.000 1.009 381 S CA 0.726 58.995 58.200 0.114 0.000 0.908 381 S CB 0.292 63.538 63.200 0.077 0.000 0.801 381 S HN 1.139 nan 8.310 nan 0.000 0.505 382 R N 0.846 121.437 120.500 0.152 0.000 2.368 382 R HA 0.666 5.002 4.340 -0.006 0.000 0.302 382 R C -0.706 175.708 176.300 0.190 0.000 1.002 382 R CA -0.684 55.475 56.100 0.098 0.000 0.929 382 R CB 0.159 30.447 30.300 -0.021 0.000 1.073 382 R HN 0.514 nan 8.270 nan 0.000 0.464 383 Y N -1.743 118.529 120.300 -0.047 0.000 2.750 383 Y HA 0.516 5.060 4.550 -0.009 0.000 0.335 383 Y C -1.484 174.382 175.900 -0.056 0.000 1.252 383 Y CA -1.779 56.293 58.100 -0.046 0.000 1.064 383 Y CB 0.737 39.176 38.460 -0.035 0.000 1.321 383 Y HN 0.198 nan 8.280 nan 0.000 0.451 384 V N 2.469 122.408 119.914 0.042 0.000 2.372 384 V HA 0.393 4.509 4.120 -0.006 0.000 0.261 384 V C 0.966 177.078 176.094 0.030 0.000 1.055 384 V CA 0.466 62.735 62.300 -0.052 0.000 0.930 384 V CB -0.074 31.751 31.823 0.003 0.000 1.031 384 V HN 1.051 nan 8.190 nan 0.000 0.479 385 A N 3.646 126.358 122.820 -0.180 0.000 1.968 385 A HA 0.016 4.332 4.320 -0.006 0.000 0.217 385 A C 0.690 178.294 177.584 0.032 0.000 1.169 385 A CA 0.944 52.976 52.037 -0.008 0.000 0.638 385 A CB -0.005 18.894 19.000 -0.168 0.000 0.812 385 A HN 0.713 nan 8.150 nan 0.000 0.446 386 D N -0.660 119.726 120.400 -0.023 0.000 2.575 386 D HA 0.424 5.060 4.640 -0.006 0.000 0.250 386 D C -1.599 174.715 176.300 0.024 0.000 1.279 386 D CA -0.217 53.788 54.000 0.010 0.000 0.925 386 D CB 1.627 42.429 40.800 0.004 0.000 1.261 386 D HN 0.074 nan 8.370 nan 0.000 0.567 387 L N 3.291 124.541 121.223 0.044 0.000 2.262 387 L HA 0.285 4.621 4.340 -0.006 0.000 0.288 387 L C 0.130 177.035 176.870 0.058 0.000 1.035 387 L CA -0.123 54.756 54.840 0.065 0.000 0.820 387 L CB 0.079 42.173 42.059 0.058 0.000 1.204 387 L HN 0.635 nan 8.230 nan 0.000 0.424 388 T N 1.696 116.294 114.554 0.073 0.000 3.357 388 T HA -0.233 4.113 4.350 -0.006 0.000 0.422 388 T C -0.014 174.676 174.700 -0.015 0.000 0.768 388 T CA 1.109 63.199 62.100 -0.017 0.000 2.153 388 T CB -2.158 66.674 68.868 -0.059 0.000 1.688 388 T HN 0.830 nan 8.240 nan 0.000 0.659 389 K N -0.426 119.979 120.400 0.009 0.000 2.098 389 K HA 0.793 5.109 4.320 -0.006 0.000 0.258 389 K C -0.307 176.295 176.600 0.005 0.000 0.973 389 K CA -1.223 55.072 56.287 0.015 0.000 0.898 389 K CB 1.745 34.269 32.500 0.040 0.000 1.057 389 K HN 0.177 nan 8.250 nan 0.000 0.447 390 V N 2.295 122.206 119.914 -0.004 0.000 2.439 390 V HA 0.173 4.289 4.120 -0.006 0.000 0.282 390 V C -0.702 175.374 176.094 -0.029 0.000 1.039 390 V CA -0.645 61.640 62.300 -0.025 0.000 0.913 390 V CB 1.210 33.009 31.823 -0.039 0.000 0.983 390 V HN 0.757 nan 8.190 nan 0.000 0.460 391 D N 3.970 124.325 120.400 -0.076 0.000 2.280 391 D HA 0.417 5.053 4.640 -0.006 0.000 0.236 391 D C 0.003 176.113 176.300 -0.316 0.000 1.082 391 D CA -0.318 53.590 54.000 -0.154 0.000 0.834 391 D CB 1.240 41.912 40.800 -0.212 0.000 1.100 391 D HN 0.356 nan 8.370 nan 0.000 0.486 392 R N 2.648 123.063 120.500 -0.142 0.000 2.215 392 R HA 0.366 4.703 4.340 -0.006 0.000 0.337 392 R C -0.505 175.886 176.300 0.153 0.000 1.010 392 R CA -0.394 55.656 56.100 -0.083 0.000 0.871 392 R CB 0.807 31.104 30.300 -0.006 0.000 1.134 392 R HN 0.459 nan 8.270 nan 0.000 0.477 393 Y N 0.078 120.325 120.300 -0.089 0.000 2.587 393 Y HA 0.327 4.876 4.550 -0.002 0.000 0.337 393 Y C 0.621 176.430 175.900 -0.151 0.000 1.065 393 Y CA -1.651 56.390 58.100 -0.098 0.000 1.126 393 Y CB 1.919 40.341 38.460 -0.062 0.000 1.279 393 Y HN 0.425 nan 8.280 nan 0.000 0.489 394 S N 1.488 117.125 115.700 -0.105 0.000 2.537 394 S HA 0.070 4.536 4.470 -0.006 0.000 0.286 394 S C 0.057 174.450 174.600 -0.345 0.000 1.299 394 S CA 0.274 58.252 58.200 -0.370 0.000 1.067 394 S CB -0.387 62.353 63.200 -0.767 0.000 0.864 394 S HN 0.822 nan 8.310 nan 0.000 0.494 395 F N -1.398 118.569 119.950 0.029 0.000 2.464 395 F HA -0.295 4.228 4.527 -0.007 0.000 0.677 395 F C 0.500 176.295 175.800 -0.008 0.000 0.491 395 F CA 0.653 58.664 58.000 0.018 0.000 1.058 395 F CB -1.199 37.821 39.000 0.035 0.000 1.860 395 F HN 0.595 nan 8.300 nan 0.000 0.265 396 V N -0.335 119.666 119.914 0.144 0.000 3.114 396 V HA 0.817 4.934 4.120 -0.006 0.000 0.308 396 V C -0.433 175.496 176.094 -0.276 0.000 1.168 396 V CA -0.658 61.613 62.300 -0.049 0.000 1.015 396 V CB 2.112 33.898 31.823 -0.062 0.000 1.050 396 V HN 0.355 nan 8.190 nan 0.000 0.433 397 M N 1.739 121.140 119.600 -0.332 0.000 2.393 397 M HA 0.757 5.233 4.480 -0.006 0.000 0.316 397 M C -1.468 174.573 176.300 -0.431 0.000 1.087 397 M CA -0.352 54.711 55.300 -0.394 0.000 0.937 397 M CB 1.996 34.488 32.600 -0.179 0.000 1.668 397 M HN 0.875 nan 8.290 nan 0.000 0.438 398 H N 2.105 121.070 119.070 -0.175 0.000 2.538 398 H HA 0.551 5.103 4.556 -0.007 0.000 0.353 398 H C -1.262 173.998 175.328 -0.112 0.000 1.109 398 H CA -0.837 55.133 56.048 -0.128 0.000 1.192 398 H CB 2.420 32.097 29.762 -0.141 0.000 1.555 398 H HN 0.642 nan 8.280 nan 0.000 0.518 399 L N 4.480 125.722 121.223 0.032 0.000 2.260 399 L HA 0.402 4.738 4.340 -0.006 0.000 0.289 399 L C -0.539 176.291 176.870 -0.066 0.000 1.057 399 L CA -0.586 54.217 54.840 -0.063 0.000 0.811 399 L CB 0.283 42.256 42.059 -0.144 0.000 1.184 399 L HN 0.523 nan 8.230 nan 0.000 0.429 400 V N 0.819 120.719 119.914 -0.023 0.000 3.130 400 V HA 0.730 4.846 4.120 -0.006 0.000 0.310 400 V C -0.444 175.721 176.094 0.118 0.000 1.158 400 V CA -0.530 61.814 62.300 0.073 0.000 1.029 400 V CB 2.216 34.119 31.823 0.132 0.000 1.057 400 V HN 0.663 nan 8.190 nan 0.000 0.436 401 S N 1.194 117.029 115.700 0.225 0.000 2.599 401 S HA 0.791 5.257 4.470 -0.006 0.000 0.294 401 S C -0.832 173.775 174.600 0.012 0.000 1.094 401 S CA -0.840 57.449 58.200 0.149 0.000 0.931 401 S CB 1.910 65.248 63.200 0.230 0.000 1.093 401 S HN 1.010 nan 8.310 nan 0.000 0.488 402 R N 1.653 122.079 120.500 -0.124 0.000 2.483 402 R HA 0.612 4.948 4.340 -0.006 0.000 0.303 402 R C -1.251 174.842 176.300 -0.345 0.000 0.987 402 R CA -0.523 55.345 56.100 -0.386 0.000 0.881 402 R CB 1.107 31.078 30.300 -0.549 0.000 1.177 402 R HN 0.532 nan 8.270 nan 0.000 0.451 403 V N 4.465 124.173 119.914 -0.344 0.000 2.547 403 V HA 0.838 4.955 4.120 -0.006 0.000 0.299 403 V C -0.584 175.289 176.094 -0.369 0.000 1.040 403 V CA -0.300 61.805 62.300 -0.326 0.000 0.913 403 V CB 1.648 33.339 31.823 -0.221 0.000 0.992 403 V HN 0.581 nan 8.190 nan 0.000 0.449 404 V N 2.420 122.058 119.914 -0.460 0.000 3.078 404 V HA 1.132 5.248 4.120 -0.006 0.000 0.311 404 V C 0.067 175.959 176.094 -0.335 0.000 1.138 404 V CA 0.213 62.286 62.300 -0.378 0.000 1.007 404 V CB 1.261 32.842 31.823 -0.403 0.000 1.045 404 V HN 1.634 nan 8.190 nan 0.000 0.432 405 G N 0.189 108.897 108.800 -0.153 0.000 2.663 405 G HA2 0.628 4.585 3.960 -0.006 0.000 0.299 405 G HA3 0.628 4.585 3.960 -0.006 0.000 0.299 405 G C -1.176 173.732 174.900 0.014 0.000 1.372 405 G CA -0.338 44.732 45.100 -0.050 0.000 0.781 405 G HN 0.897 nan 8.290 nan 0.000 0.491 406 T N 1.179 115.756 114.554 0.038 0.000 2.788 406 T HA 0.409 4.755 4.350 -0.006 0.000 0.296 406 T C -0.116 174.606 174.700 0.037 0.000 1.009 406 T CA -0.245 61.892 62.100 0.062 0.000 0.949 406 T CB 1.217 70.123 68.868 0.063 0.000 0.946 406 T HN 0.469 nan 8.240 nan 0.000 0.453 407 L N 4.362 125.619 121.223 0.056 0.000 2.540 407 L HA 0.176 4.512 4.340 -0.006 0.000 0.276 407 L C 0.977 177.843 176.870 -0.006 0.000 1.212 407 L CA 0.342 55.172 54.840 -0.016 0.000 0.893 407 L CB 0.158 42.175 42.059 -0.070 0.000 1.138 407 L HN 0.520 nan 8.230 nan 0.000 0.491 408 R N 3.243 123.716 120.500 -0.045 0.000 2.697 408 R HA 0.001 4.338 4.340 -0.006 0.000 0.265 408 R C 1.207 177.494 176.300 -0.021 0.000 1.009 408 R CA 0.455 56.532 56.100 -0.038 0.000 1.099 408 R CB 0.449 30.707 30.300 -0.070 0.000 0.965 408 R HN 0.933 nan 8.270 nan 0.000 0.428 409 A N 2.397 125.214 122.820 -0.005 0.000 1.972 409 A HA -0.176 4.141 4.320 -0.006 0.000 0.219 409 A C 1.341 178.926 177.584 0.001 0.000 1.169 409 A CA 1.817 53.861 52.037 0.011 0.000 0.635 409 A CB -0.254 18.754 19.000 0.013 0.000 0.810 409 A HN 0.859 nan 8.150 nan 0.000 0.446 410 D N -0.804 119.578 120.400 -0.030 0.000 2.349 410 D HA 0.140 4.777 4.640 -0.006 0.000 0.224 410 D C 0.476 176.724 176.300 -0.086 0.000 1.029 410 D CA 0.158 54.131 54.000 -0.045 0.000 0.879 410 D CB -0.234 40.528 40.800 -0.063 0.000 0.906 410 D HN 0.429 nan 8.370 nan 0.000 0.528 411 L N 0.162 121.333 121.223 -0.086 0.000 2.279 411 L HA 0.489 4.826 4.340 -0.006 0.000 0.262 411 L C -0.495 176.428 176.870 0.087 0.000 1.019 411 L CA -1.250 53.544 54.840 -0.076 0.000 0.823 411 L CB 1.815 43.733 42.059 -0.235 0.000 1.358 411 L HN -0.116 nan 8.230 nan 0.000 0.432 412 D N -1.377 119.182 120.400 0.266 0.000 2.566 412 D HA 0.204 4.841 4.640 -0.006 0.000 0.254 412 D C 0.283 176.448 176.300 -0.224 0.000 1.090 412 D CA -0.758 53.227 54.000 -0.024 0.000 1.034 412 D CB 1.540 42.331 40.800 -0.015 0.000 1.434 412 D HN 0.146 nan 8.370 nan 0.000 0.509 413 V N 0.239 119.930 119.914 -0.372 0.000 2.568 413 V HA -0.166 3.950 4.120 -0.006 0.000 0.253 413 V C 1.752 177.632 176.094 -0.357 0.000 1.072 413 V CA 1.578 63.609 62.300 -0.448 0.000 1.084 413 V CB -0.768 30.850 31.823 -0.342 0.000 0.676 413 V HN 0.560 nan 8.190 nan 0.000 0.469 414 L N -0.974 120.015 121.223 -0.389 0.000 2.217 414 L HA -0.090 4.246 4.340 -0.006 0.000 0.211 414 L C 2.535 179.035 176.870 -0.616 0.000 1.107 414 L CA 1.211 55.755 54.840 -0.494 0.000 0.783 414 L CB -0.780 41.008 42.059 -0.453 0.000 0.919 414 L HN 0.447 nan 8.230 nan 0.000 0.442 415 H N -0.340 118.477 119.070 -0.422 0.000 2.395 415 H HA 0.010 4.563 4.556 -0.006 0.000 0.299 415 H C 2.299 177.359 175.328 -0.447 0.000 1.070 415 H CA 1.250 57.044 56.048 -0.424 0.000 1.356 415 H CB 0.036 29.628 29.762 -0.284 0.000 1.401 415 H HN 0.308 nan 8.280 nan 0.000 0.524 416 A N 0.822 123.486 122.820 -0.260 0.000 1.908 416 A HA -0.246 4.070 4.320 -0.006 0.000 0.218 416 A C 2.304 179.649 177.584 -0.399 0.000 1.181 416 A CA 1.657 53.507 52.037 -0.310 0.000 0.627 416 A CB -1.061 17.743 19.000 -0.327 0.000 0.818 416 A HN 0.463 nan 8.150 nan 0.000 0.445 417 Y N 0.064 120.045 120.300 -0.532 0.000 2.200 417 Y HA -0.212 4.335 4.550 -0.006 0.000 0.290 417 Y C 2.621 178.116 175.900 -0.675 0.000 1.137 417 Y CA 2.274 60.000 58.100 -0.622 0.000 1.163 417 Y CB -0.349 37.616 38.460 -0.825 0.000 0.988 417 Y HN 0.478 nan 8.280 nan 0.000 0.518 418 Q N -0.134 119.189 119.800 -0.796 0.000 2.124 418 Q HA -0.195 4.142 4.340 -0.006 0.000 0.202 418 Q C 2.173 177.772 176.000 -0.669 0.000 0.977 418 Q CA 1.521 56.763 55.803 -0.935 0.000 0.850 418 Q CB -0.294 27.703 28.738 -1.236 0.000 0.901 418 Q HN 0.583 nan 8.270 nan 0.000 0.429 419 A N -0.555 121.954 122.820 -0.518 0.000 2.016 419 A HA -0.077 4.240 4.320 -0.006 0.000 0.217 419 A C 1.888 179.240 177.584 -0.387 0.000 1.162 419 A CA 0.895 52.704 52.037 -0.380 0.000 0.662 419 A CB -0.232 18.599 19.000 -0.282 0.000 0.812 419 A HN 0.573 nan 8.150 nan 0.000 0.450 420 C N -0.067 118.938 119.300 -0.492 0.000 2.673 420 C HA 0.332 4.788 4.460 -0.006 0.000 0.274 420 C C 1.045 175.714 174.990 -0.535 0.000 1.276 420 C CA -0.675 58.070 59.018 -0.454 0.000 1.701 420 C CB -2.070 25.412 27.740 -0.430 0.000 1.836 420 C HN 0.554 nan 8.230 nan 0.000 0.596 421 M N 3.114 122.348 119.600 -0.610 0.000 2.603 421 M HA -0.048 4.428 4.480 -0.006 0.000 0.399 421 M C -0.536 175.508 176.300 -0.427 0.000 1.745 421 M CA 1.284 56.239 55.300 -0.576 0.000 1.055 421 M CB -0.493 31.831 32.600 -0.460 0.000 2.144 421 M HN 0.486 nan 8.290 nan 0.000 0.483 422 N N 2.587 121.031 118.700 -0.427 0.000 2.498 422 N HA -0.092 4.644 4.740 -0.006 0.000 0.275 422 N C -0.759 174.621 175.510 -0.217 0.000 1.306 422 N CA 0.303 53.157 53.050 -0.327 0.000 0.648 422 N CB -0.389 37.805 38.487 -0.489 0.000 0.918 422 N HN 0.577 nan 8.380 nan 0.000 0.520 423 M N 0.395 119.888 119.600 -0.178 0.000 2.246 423 M HA 0.048 4.524 4.480 -0.006 0.000 0.327 423 M C 2.036 178.292 176.300 -0.074 0.000 1.090 423 M CA 1.086 56.310 55.300 -0.127 0.000 1.087 423 M CB -0.302 32.239 32.600 -0.097 0.000 1.587 423 M HN 0.639 nan 8.290 nan 0.000 0.444 424 G N 1.550 110.314 108.800 -0.061 0.000 2.448 424 G HA2 -0.165 3.791 3.960 -0.006 0.000 0.219 424 G HA3 -0.165 3.791 3.960 -0.006 0.000 0.219 424 G C 1.293 176.194 174.900 0.001 0.000 1.127 424 G CA 1.107 46.192 45.100 -0.025 0.000 0.766 424 G HN 0.768 nan 8.290 nan 0.000 0.552 425 T N 0.825 115.375 114.554 -0.006 0.000 2.653 425 T HA -0.133 4.213 4.350 -0.006 0.000 0.268 425 T C 1.669 176.384 174.700 0.025 0.000 1.035 425 T CA 0.960 63.067 62.100 0.011 0.000 1.154 425 T CB -0.074 68.793 68.868 -0.002 0.000 0.862 425 T HN 0.110 nan 8.240 nan 0.000 0.441 426 L N 0.424 121.655 121.223 0.014 0.000 2.808 426 L HA 0.363 4.699 4.340 -0.006 0.000 0.246 426 L C 1.769 178.687 176.870 0.081 0.000 1.153 426 L CA 0.180 55.033 54.840 0.021 0.000 0.956 426 L CB -0.072 41.920 42.059 -0.112 0.000 1.270 426 L HN 0.318 nan 8.230 nan 0.000 0.528 427 S N -2.220 113.531 115.700 0.086 0.000 3.226 427 S HA 0.813 5.280 4.470 -0.006 0.000 0.195 427 S C 0.838 175.480 174.600 0.070 0.000 0.793 427 S CA 0.328 58.595 58.200 0.111 0.000 0.816 427 S CB 0.956 64.212 63.200 0.094 0.000 0.847 427 S HN 0.296 nan 8.310 nan 0.000 0.630 428 G N 0.519 109.347 108.800 0.047 0.000 2.350 428 G HA2 0.540 4.497 3.960 -0.006 0.000 0.282 428 G HA3 0.540 4.497 3.960 -0.006 0.000 0.282 428 G C -1.753 173.175 174.900 0.047 0.000 1.314 428 G CA -0.267 44.862 45.100 0.049 0.000 0.915 428 G HN 1.438 nan 8.290 nan 0.000 0.499 429 A N 0.087 122.952 122.820 0.074 0.000 2.437 429 A HA 0.869 5.185 4.320 -0.006 0.000 0.293 429 A C -3.136 174.485 177.584 0.061 0.000 1.038 429 A CA -1.247 50.864 52.037 0.123 0.000 0.708 429 A CB 2.038 21.177 19.000 0.232 0.000 1.251 429 A HN 0.459 nan 8.150 nan 0.000 0.409 430 P HA 0.142 nan 4.420 nan 0.000 0.271 430 P C 0.793 178.080 177.300 -0.022 0.000 1.216 430 P CA -0.149 62.948 63.100 -0.006 0.000 0.771 430 P CB 0.871 32.534 31.700 -0.060 0.000 0.864 431 K N 1.887 122.278 120.400 -0.015 0.000 2.034 431 K HA -0.184 4.132 4.320 -0.006 0.000 0.214 431 K C 1.562 178.143 176.600 -0.031 0.000 1.051 431 K CA 1.877 58.147 56.287 -0.028 0.000 0.931 431 K CB -0.597 31.870 32.500 -0.055 0.000 0.715 431 K HN 0.161 nan 8.250 nan 0.000 0.446 432 V N 0.595 120.485 119.914 -0.039 0.000 2.343 432 V HA -0.230 3.887 4.120 -0.006 0.000 0.247 432 V C 2.354 178.433 176.094 -0.025 0.000 1.051 432 V CA 1.944 64.225 62.300 -0.033 0.000 1.036 432 V CB -0.490 31.313 31.823 -0.034 0.000 0.654 432 V HN 0.297 nan 8.190 nan 0.000 0.451 433 R N 0.479 120.956 120.500 -0.039 0.000 2.115 433 R HA -0.021 4.315 4.340 -0.006 0.000 0.230 433 R C 2.163 178.443 176.300 -0.034 0.000 1.111 433 R CA 1.515 57.587 56.100 -0.046 0.000 0.976 433 R CB -0.735 29.517 30.300 -0.079 0.000 0.870 433 R HN 0.492 nan 8.270 nan 0.000 0.445 434 A N 0.151 122.956 122.820 -0.026 0.000 1.855 434 A HA -0.153 4.163 4.320 -0.006 0.000 0.215 434 A C 2.202 179.803 177.584 0.028 0.000 1.191 434 A CA 1.643 53.678 52.037 -0.003 0.000 0.613 434 A CB -0.486 18.520 19.000 0.009 0.000 0.829 434 A HN 0.339 nan 8.150 nan 0.000 0.442 435 M N -0.733 118.892 119.600 0.043 0.000 2.108 435 M HA -0.260 4.216 4.480 -0.006 0.000 0.261 435 M C 2.441 178.781 176.300 0.067 0.000 1.066 435 M CA 1.879 57.233 55.300 0.090 0.000 1.107 435 M CB -0.487 32.149 32.600 0.060 0.000 1.356 435 M HN 0.529 nan 8.290 nan 0.000 0.406 436 Q N 0.011 119.827 119.800 0.028 0.000 2.119 436 Q HA -0.091 4.245 4.340 -0.006 0.000 0.201 436 Q C 2.033 178.039 176.000 0.010 0.000 0.972 436 Q CA 1.086 56.899 55.803 0.017 0.000 0.847 436 Q CB -0.133 28.605 28.738 -0.001 0.000 0.903 436 Q HN 0.532 nan 8.270 nan 0.000 0.433 437 L N 0.102 121.326 121.223 0.001 0.000 2.109 437 L HA -0.149 4.188 4.340 -0.006 0.000 0.207 437 L C 2.247 179.115 176.870 -0.003 0.000 1.086 437 L CA 0.793 55.628 54.840 -0.009 0.000 0.760 437 L CB -0.239 41.807 42.059 -0.021 0.000 0.910 437 L HN 0.250 nan 8.230 nan 0.000 0.437 438 I N -0.201 120.378 120.570 0.015 0.000 2.163 438 I HA -0.286 3.880 4.170 -0.006 0.000 0.240 438 I C 2.800 178.923 176.117 0.010 0.000 1.081 438 I CA 1.245 62.554 61.300 0.016 0.000 1.353 438 I CB -0.341 37.684 38.000 0.041 0.000 1.054 438 I HN 0.189 nan 8.210 nan 0.000 0.407 439 A N 0.668 123.506 122.820 0.030 0.000 1.865 439 A HA -0.238 4.078 4.320 -0.006 0.000 0.217 439 A C 2.517 180.105 177.584 0.006 0.000 1.191 439 A CA 2.089 54.142 52.037 0.026 0.000 0.623 439 A CB -1.068 17.963 19.000 0.052 0.000 0.826 439 A HN 0.454 nan 8.150 nan 0.000 0.444 440 A N -0.555 122.266 122.820 0.003 0.000 1.940 440 A HA -0.084 4.232 4.320 -0.006 0.000 0.219 440 A C 2.150 179.726 177.584 -0.014 0.000 1.176 440 A CA 1.672 53.705 52.037 -0.006 0.000 0.631 440 A CB -0.538 18.456 19.000 -0.010 0.000 0.814 440 A HN 0.529 nan 8.150 nan 0.000 0.446 441 L N 0.190 121.404 121.223 -0.016 0.000 1.976 441 L HA -0.102 4.235 4.340 -0.006 0.000 0.209 441 L C 2.165 179.021 176.870 -0.024 0.000 1.071 441 L CA 2.552 57.377 54.840 -0.025 0.000 0.746 441 L CB -0.692 41.348 42.059 -0.031 0.000 0.890 441 L HN 0.616 nan 8.230 nan 0.000 0.432 442 R N -0.399 120.087 120.500 -0.023 0.000 2.507 442 R HA 0.072 4.408 4.340 -0.006 0.000 0.298 442 R C 0.931 177.213 176.300 -0.031 0.000 0.999 442 R CA 0.671 56.753 56.100 -0.030 0.000 1.082 442 R CB -1.254 29.021 30.300 -0.041 0.000 1.246 442 R HN 0.316 nan 8.270 nan 0.000 0.553 443 S N 0.275 115.962 115.700 -0.022 0.000 3.205 443 S HA -0.203 4.263 4.470 -0.006 0.000 0.399 443 S C -0.027 174.560 174.600 -0.022 0.000 1.028 443 S CA 1.544 59.733 58.200 -0.017 0.000 1.112 443 S CB -1.064 62.127 63.200 -0.015 0.000 0.878 443 S HN 0.784 nan 8.310 nan 0.000 0.487 444 T N 0.144 114.679 114.554 -0.032 0.000 2.881 444 T HA 0.561 4.907 4.350 -0.006 0.000 0.290 444 T C -0.045 174.627 174.700 -0.047 0.000 1.000 444 T CA -0.829 61.247 62.100 -0.041 0.000 0.978 444 T CB 1.050 69.884 68.868 -0.056 0.000 0.997 444 T HN 0.479 nan 8.240 nan 0.000 0.443 445 R N 2.274 122.750 120.500 -0.039 0.000 2.873 445 R HA 0.163 4.499 4.340 -0.006 0.000 0.267 445 R C 1.544 177.796 176.300 -0.080 0.000 1.009 445 R CA 0.300 56.379 56.100 -0.034 0.000 1.152 445 R CB 0.376 30.654 30.300 -0.036 0.000 1.047 445 R HN 0.625 nan 8.270 nan 0.000 0.470 446 R N 0.639 121.087 120.500 -0.087 0.000 2.237 446 R HA 0.085 4.422 4.340 -0.006 0.000 0.195 446 R C 1.195 177.404 176.300 -0.151 0.000 0.956 446 R CA 0.580 56.590 56.100 -0.151 0.000 1.029 446 R CB 0.337 30.419 30.300 -0.365 0.000 0.972 446 R HN 0.979 nan 8.270 nan 0.000 0.493 447 G N 0.714 109.426 108.800 -0.146 0.000 2.536 447 G HA2 -0.425 3.532 3.960 -0.006 0.000 0.280 447 G HA3 -0.425 3.532 3.960 -0.006 0.000 0.280 447 G C 0.790 175.569 174.900 -0.202 0.000 1.152 447 G CA 0.590 45.525 45.100 -0.275 0.000 0.970 447 G HN 0.381 nan 8.290 nan 0.000 0.549 448 S N -0.782 114.723 115.700 -0.326 0.000 2.489 448 S HA 0.126 4.592 4.470 -0.006 0.000 0.228 448 S C 1.155 175.737 174.600 -0.031 0.000 0.995 448 S CA 1.324 59.428 58.200 -0.161 0.000 0.934 448 S CB -0.056 63.052 63.200 -0.152 0.000 0.771 448 S HN 1.375 nan 8.310 nan 0.000 0.522 449 Y N 3.571 123.780 120.300 -0.151 0.000 2.677 449 Y HA 0.393 4.939 4.550 -0.006 0.000 0.335 449 Y C 1.294 177.163 175.900 -0.053 0.000 1.162 449 Y CA 0.180 58.217 58.100 -0.105 0.000 1.483 449 Y CB -0.445 37.912 38.460 -0.171 0.000 1.209 449 Y HN 0.414 nan 8.280 nan 0.000 0.528 450 G N 3.609 112.022 108.800 -0.645 0.000 2.147 450 G HA2 -0.200 3.757 3.960 -0.006 0.000 0.244 450 G HA3 -0.200 3.757 3.960 -0.006 0.000 0.244 450 G C 0.402 175.318 174.900 0.027 0.000 1.005 450 G CA 0.186 45.035 45.100 -0.419 0.000 0.713 450 G HN 1.220 nan 8.290 nan 0.000 0.515 451 G N -1.148 107.671 108.800 0.030 0.000 2.828 451 G HA2 0.771 4.727 3.960 -0.006 0.000 0.244 451 G HA3 0.771 4.727 3.960 -0.006 0.000 0.244 451 G C -0.446 174.499 174.900 0.075 0.000 1.365 451 G CA -0.888 44.277 45.100 0.109 0.000 1.041 451 G HN 0.391 nan 8.290 nan 0.000 0.560 452 R N -1.713 118.875 120.500 0.146 0.000 2.686 452 R HA 0.671 5.007 4.340 -0.006 0.000 0.286 452 R C -1.025 175.325 176.300 0.082 0.000 0.969 452 R CA -0.601 55.580 56.100 0.135 0.000 0.898 452 R CB 1.972 32.445 30.300 0.289 0.000 1.183 452 R HN 0.310 nan 8.270 nan 0.000 0.456 453 V N 2.105 121.975 119.914 -0.074 0.000 2.604 453 V HA 0.962 5.079 4.120 -0.006 0.000 0.305 453 V C 0.372 176.476 176.094 0.015 0.000 1.043 453 V CA 0.154 62.348 62.300 -0.177 0.000 0.888 453 V CB 1.764 33.170 31.823 -0.695 0.000 0.995 453 V HN 0.934 nan 8.190 nan 0.000 0.429 454 G N 3.296 112.175 108.800 0.132 0.000 2.455 454 G HA2 0.392 4.348 3.960 -0.006 0.000 0.223 454 G HA3 0.392 4.348 3.960 -0.006 0.000 0.223 454 G C -1.646 173.453 174.900 0.332 0.000 1.226 454 G CA 0.185 45.433 45.100 0.246 0.000 0.948 454 G HN 1.280 nan 8.290 nan 0.000 0.478 455 Y N -1.195 119.245 120.300 0.234 0.000 2.656 455 Y HA 0.830 5.376 4.550 -0.006 0.000 0.334 455 Y C -1.156 174.886 175.900 0.237 0.000 1.179 455 Y CA -2.031 56.149 58.100 0.133 0.000 1.050 455 Y CB 1.180 39.663 38.460 0.038 0.000 1.308 455 Y HN 1.204 nan 8.280 nan 0.000 0.456 456 F N -0.807 119.135 119.950 -0.014 0.000 2.643 456 F HA 0.950 5.474 4.527 -0.006 0.000 0.314 456 F C -0.565 175.273 175.800 0.063 0.000 1.096 456 F CA -0.663 57.316 58.000 -0.035 0.000 0.953 456 F CB 1.645 40.575 39.000 -0.117 0.000 1.345 456 F HN 0.840 nan 8.300 nan 0.000 0.468 457 T N -2.091 112.589 114.554 0.210 0.000 2.838 457 T HA 0.687 5.034 4.350 -0.006 0.000 0.292 457 T C 0.429 175.204 174.700 0.126 0.000 1.113 457 T CA -0.263 61.902 62.100 0.108 0.000 1.008 457 T CB 1.418 70.370 68.868 0.140 0.000 1.259 457 T HN 1.201 nan 8.240 nan 0.000 0.520 458 A N 0.485 123.354 122.820 0.082 0.000 2.119 458 A HA 0.183 4.500 4.320 -0.006 0.000 0.217 458 A C 2.149 179.787 177.584 0.091 0.000 1.153 458 A CA 1.404 53.490 52.037 0.082 0.000 0.692 458 A CB -1.109 17.929 19.000 0.063 0.000 0.799 458 A HN 1.464 nan 8.150 nan 0.000 0.458 459 V N -4.536 115.434 119.914 0.093 0.000 3.510 459 V HA 0.055 4.171 4.120 -0.006 0.000 0.270 459 V C 1.142 177.296 176.094 0.100 0.000 1.201 459 V CA 0.910 63.259 62.300 0.081 0.000 1.166 459 V CB -0.938 30.925 31.823 0.066 0.000 0.825 459 V HN 0.585 nan 8.190 nan 0.000 0.484 460 R N -1.439 119.149 120.500 0.146 0.000 3.224 460 R HA -0.153 4.183 4.340 -0.006 0.000 0.473 460 R C 0.248 176.729 176.300 0.302 0.000 0.599 460 R CA 1.044 57.279 56.100 0.225 0.000 1.436 460 R CB -2.473 27.972 30.300 0.241 0.000 2.091 460 R HN 0.709 nan 8.270 nan 0.000 0.386 461 N N 1.546 120.351 118.700 0.175 0.000 2.381 461 N HA 0.340 5.076 4.740 -0.006 0.000 0.241 461 N C 0.160 175.805 175.510 0.225 0.000 1.279 461 N CA 0.729 53.866 53.050 0.145 0.000 0.896 461 N CB 0.762 39.312 38.487 0.105 0.000 1.118 461 N HN 0.214 nan 8.380 nan 0.000 0.438 462 L N 0.459 121.782 121.223 0.167 0.000 2.612 462 L HA 0.396 4.733 4.340 -0.006 0.000 0.256 462 L C -2.086 174.750 176.870 -0.057 0.000 0.949 462 L CA -0.623 54.242 54.840 0.041 0.000 0.867 462 L CB 2.472 44.613 42.059 0.138 0.000 1.417 462 L HN 0.436 nan 8.230 nan 0.000 0.414 463 D N 1.557 121.793 120.400 -0.274 0.000 2.931 463 D HA 0.634 5.270 4.640 -0.006 0.000 0.215 463 D C -1.275 175.002 176.300 -0.038 0.000 1.297 463 D CA 0.367 54.297 54.000 -0.117 0.000 0.892 463 D CB 2.305 43.052 40.800 -0.089 0.000 1.642 463 D HN 0.806 nan 8.370 nan 0.000 0.560 464 T N -0.625 113.991 114.554 0.102 0.000 2.778 464 T HA 0.783 5.130 4.350 -0.006 0.000 0.293 464 T C -0.275 174.438 174.700 0.021 0.000 1.144 464 T CA -0.701 61.477 62.100 0.130 0.000 1.010 464 T CB 1.109 70.074 68.868 0.161 0.000 1.325 464 T HN 0.789 nan 8.240 nan 0.000 0.515 465 C N 0.095 119.396 119.300 0.001 0.000 2.985 465 C HA 0.813 5.269 4.460 -0.006 0.000 0.314 465 C C -0.230 174.735 174.990 -0.041 0.000 1.215 465 C CA -1.313 57.628 59.018 -0.128 0.000 1.414 465 C CB -0.332 27.384 27.740 -0.039 0.000 1.842 465 C HN 1.062 nan 8.230 nan 0.000 0.477 466 I N 2.074 122.616 120.570 -0.046 0.000 2.634 466 I HA 0.236 4.402 4.170 -0.006 0.000 0.284 466 I C 0.180 176.311 176.117 0.023 0.000 1.124 466 I CA -0.118 61.171 61.300 -0.019 0.000 1.417 466 I CB 0.972 38.950 38.000 -0.037 0.000 1.396 466 I HN 0.544 nan 8.210 nan 0.000 0.571 467 V N 7.468 127.382 119.914 0.000 0.000 2.338 467 V HA 0.226 4.342 4.120 -0.006 0.000 0.255 467 V C 0.055 176.190 176.094 0.070 0.000 1.082 467 V CA 0.023 62.367 62.300 0.075 0.000 0.951 467 V CB -0.650 31.190 31.823 0.027 0.000 1.102 467 V HN 0.499 nan 8.190 nan 0.000 0.489 468 I N 0.833 121.504 120.570 0.169 0.000 3.174 468 I HA 0.657 4.824 4.170 -0.006 0.000 0.313 468 I C 0.244 176.502 176.117 0.234 0.000 1.155 468 I CA -1.680 59.738 61.300 0.197 0.000 0.977 468 I CB 1.367 39.447 38.000 0.133 0.000 1.248 468 I HN 0.360 nan 8.210 nan 0.000 0.453 469 R N 1.318 121.944 120.500 0.211 0.000 2.974 469 R HA -0.105 4.232 4.340 -0.006 0.000 0.258 469 R C -0.928 175.471 176.300 0.165 0.000 0.892 469 R CA 0.949 57.148 56.100 0.166 0.000 0.664 469 R CB -1.138 29.257 30.300 0.158 0.000 1.478 469 R HN 1.212 nan 8.270 nan 0.000 0.498 470 S N 0.009 115.791 115.700 0.137 0.000 2.615 470 S HA 0.865 5.331 4.470 -0.006 0.000 0.269 470 S C -1.203 173.358 174.600 -0.065 0.000 1.161 470 S CA -0.496 57.740 58.200 0.061 0.000 0.817 470 S CB 2.413 65.732 63.200 0.198 0.000 1.131 470 S HN 0.740 nan 8.310 nan 0.000 0.467 471 A N 0.951 123.565 122.820 -0.342 0.000 2.374 471 A HA 0.724 5.040 4.320 -0.006 0.000 0.305 471 A C -1.742 175.655 177.584 -0.311 0.000 1.053 471 A CA -0.573 51.235 52.037 -0.381 0.000 0.726 471 A CB 1.054 19.671 19.000 -0.639 0.000 1.229 471 A HN 1.212 nan 8.150 nan 0.000 0.431 472 Y N 3.059 123.246 120.300 -0.188 0.000 2.342 472 Y HA 0.541 5.087 4.550 -0.006 0.000 0.338 472 Y C -0.837 175.057 175.900 -0.009 0.000 0.965 472 Y CA -0.693 57.352 58.100 -0.092 0.000 1.159 472 Y CB 1.312 39.726 38.460 -0.076 0.000 1.157 472 Y HN 0.452 nan 8.280 nan 0.000 0.486 473 V N 6.437 126.138 119.914 -0.355 0.000 2.370 473 V HA 0.389 4.505 4.120 -0.006 0.000 0.283 473 V C -0.489 175.444 176.094 -0.268 0.000 1.023 473 V CA -0.834 61.351 62.300 -0.193 0.000 0.857 473 V CB 1.345 33.179 31.823 0.019 0.000 0.985 473 V HN 0.748 nan 8.190 nan 0.000 0.443 474 E N 2.922 123.038 120.200 -0.141 0.000 2.218 474 E HA 0.358 4.704 4.350 -0.006 0.000 0.263 474 E C -1.076 175.512 176.600 -0.020 0.000 0.879 474 E CA -0.599 55.760 56.400 -0.069 0.000 0.762 474 E CB 1.106 30.802 29.700 -0.007 0.000 1.166 474 E HN 0.793 nan 8.360 nan 0.000 0.415 475 D N 3.366 123.743 120.400 -0.038 0.000 2.697 475 D HA -0.218 4.418 4.640 -0.006 0.000 0.238 475 D C 0.804 177.004 176.300 -0.168 0.000 1.152 475 D CA 1.571 55.520 54.000 -0.085 0.000 0.666 475 D CB -1.365 39.375 40.800 -0.100 0.000 1.037 475 D HN 0.977 nan 8.370 nan 0.000 0.423 476 G N -0.620 108.133 108.800 -0.078 0.000 2.245 476 G HA2 -0.357 3.600 3.960 -0.006 0.000 0.264 476 G HA3 -0.357 3.600 3.960 -0.006 0.000 0.264 476 G C 0.114 175.034 174.900 0.034 0.000 0.985 476 G CA 0.534 45.596 45.100 -0.064 0.000 0.625 476 G HN 0.631 nan 8.290 nan 0.000 0.536 477 H N 0.445 119.526 119.070 0.018 0.000 2.519 477 H HA 0.510 5.062 4.556 -0.006 0.000 0.316 477 H C 0.645 175.989 175.328 0.026 0.000 1.065 477 H CA -0.635 55.426 56.048 0.022 0.000 1.264 477 H CB 1.049 30.826 29.762 0.025 0.000 1.413 477 H HN 0.432 nan 8.280 nan 0.000 0.465 478 R N 2.964 123.567 120.500 0.171 0.000 2.265 478 R HA 0.242 4.579 4.340 -0.006 0.000 0.314 478 R C -0.912 175.435 176.300 0.078 0.000 1.053 478 R CA -0.233 55.934 56.100 0.111 0.000 0.931 478 R CB 0.416 30.799 30.300 0.137 0.000 1.024 478 R HN 0.494 nan 8.270 nan 0.000 0.457 479 T N 4.218 118.824 114.554 0.086 0.000 2.779 479 T HA 0.296 4.643 4.350 -0.006 0.000 0.280 479 T C -0.722 174.002 174.700 0.040 0.000 0.987 479 T CA -0.455 61.688 62.100 0.071 0.000 0.966 479 T CB 1.510 70.447 68.868 0.116 0.000 0.933 479 T HN 0.347 nan 8.240 nan 0.000 0.442 480 V N 4.540 124.465 119.914 0.018 0.000 2.304 480 V HA 0.375 4.491 4.120 -0.006 0.000 0.278 480 V C 0.101 176.169 176.094 -0.043 0.000 1.018 480 V CA -0.810 61.497 62.300 0.011 0.000 0.814 480 V CB 1.180 33.026 31.823 0.039 0.000 1.021 480 V HN 0.798 nan 8.190 nan 0.000 0.440 481 Q N 3.025 122.715 119.800 -0.183 0.000 2.235 481 Q HA 0.771 5.107 4.340 -0.006 0.000 0.250 481 Q C -0.399 175.271 176.000 -0.551 0.000 0.909 481 Q CA -0.198 55.308 55.803 -0.495 0.000 0.910 481 Q CB 1.702 29.959 28.738 -0.801 0.000 1.223 481 Q HN 0.938 nan 8.270 nan 0.000 0.432 482 A N 2.153 124.657 122.820 -0.528 0.000 2.547 482 A HA 0.820 5.137 4.320 -0.006 0.000 0.297 482 A C -0.937 176.521 177.584 -0.210 0.000 1.056 482 A CA -0.060 51.831 52.037 -0.243 0.000 0.688 482 A CB 1.783 20.809 19.000 0.042 0.000 1.282 482 A HN 0.786 nan 8.150 nan 0.000 0.400 483 G N -0.483 108.321 108.800 0.006 0.000 2.642 483 G HA2 0.866 4.822 3.960 -0.006 0.000 0.293 483 G HA3 0.866 4.822 3.960 -0.006 0.000 0.293 483 G C -0.692 174.304 174.900 0.161 0.000 1.341 483 G CA 0.039 45.201 45.100 0.104 0.000 0.916 483 G HN 1.823 nan 8.290 nan 0.000 0.474 484 A N -0.515 122.442 122.820 0.229 0.000 2.374 484 A HA 0.766 5.083 4.320 -0.006 0.000 0.317 484 A C 1.376 179.051 177.584 0.151 0.000 1.094 484 A CA 0.365 52.517 52.037 0.193 0.000 0.765 484 A CB 1.360 20.501 19.000 0.235 0.000 1.268 484 A HN 1.775 nan 8.150 nan 0.000 0.438 485 G N 0.337 109.207 108.800 0.118 0.000 2.732 485 G HA2 -0.028 3.929 3.960 -0.006 0.000 0.222 485 G HA3 -0.028 3.929 3.960 -0.006 0.000 0.222 485 G C 0.715 175.661 174.900 0.077 0.000 1.203 485 G CA 1.451 46.607 45.100 0.093 0.000 0.780 485 G HN 1.919 nan 8.290 nan 0.000 0.621 486 V N -0.686 119.268 119.914 0.068 0.000 3.683 486 V HA -0.091 4.026 4.120 -0.006 0.000 0.493 486 V C 0.401 176.521 176.094 0.043 0.000 0.682 486 V CA 0.545 62.870 62.300 0.042 0.000 2.008 486 V CB -1.746 30.085 31.823 0.014 0.000 2.427 486 V HN 1.193 nan 8.190 nan 0.000 0.505 487 V N 2.039 121.978 119.914 0.042 0.000 3.105 487 V HA 0.620 4.737 4.120 -0.006 0.000 0.311 487 V C 1.079 177.196 176.094 0.037 0.000 1.282 487 V CA -0.226 62.104 62.300 0.050 0.000 1.065 487 V CB 1.448 33.307 31.823 0.059 0.000 1.136 487 V HN 0.521 nan 8.190 nan 0.000 0.469 488 Q N 1.757 121.583 119.800 0.045 0.000 1.991 488 Q HA -0.245 4.091 4.340 -0.006 0.000 0.213 488 Q C 1.480 177.493 176.000 0.023 0.000 1.022 488 Q CA 2.918 58.741 55.803 0.034 0.000 0.877 488 Q CB -0.618 28.144 28.738 0.041 0.000 0.970 488 Q HN 1.129 nan 8.270 nan 0.000 0.414 489 D N -0.624 119.791 120.400 0.026 0.000 2.352 489 D HA 0.060 4.696 4.640 -0.006 0.000 0.236 489 D C -0.187 176.127 176.300 0.023 0.000 1.148 489 D CA -0.064 53.949 54.000 0.022 0.000 0.844 489 D CB -0.141 40.672 40.800 0.022 0.000 0.933 489 D HN -0.158 nan 8.370 nan 0.000 0.507 490 S N 0.210 115.924 115.700 0.024 0.000 2.579 490 S HA 0.181 4.647 4.470 -0.006 0.000 0.275 490 S C 0.323 174.936 174.600 0.022 0.000 1.345 490 S CA -0.361 57.855 58.200 0.027 0.000 1.031 490 S CB 0.503 63.719 63.200 0.026 0.000 0.892 490 S HN 0.204 nan 8.310 nan 0.000 0.529 491 I N 4.760 125.348 120.570 0.030 0.000 2.330 491 I HA 0.262 4.428 4.170 -0.006 0.000 0.286 491 I C -1.612 174.527 176.117 0.035 0.000 1.025 491 I CA -2.574 58.743 61.300 0.029 0.000 1.197 491 I CB 0.273 38.292 38.000 0.033 0.000 1.358 491 I HN 0.358 nan 8.210 nan 0.000 0.467 492 P HA -0.291 nan 4.420 nan 0.000 0.222 492 P C 1.532 178.877 177.300 0.075 0.000 1.147 492 P CA 1.588 64.698 63.100 0.018 0.000 0.958 492 P CB 0.445 32.144 31.700 -0.001 0.000 0.788 493 E N -1.026 119.216 120.200 0.071 0.000 2.153 493 E HA -0.197 4.150 4.350 -0.006 0.000 0.194 493 E C 1.929 178.586 176.600 0.095 0.000 0.988 493 E CA 1.221 57.674 56.400 0.089 0.000 0.811 493 E CB -0.462 29.276 29.700 0.063 0.000 0.746 493 E HN -0.006 nan 8.360 nan 0.000 0.466 494 R N 0.443 120.991 120.500 0.080 0.000 2.189 494 R HA -0.027 4.309 4.340 -0.006 0.000 0.218 494 R C 1.770 178.133 176.300 0.104 0.000 1.074 494 R CA 0.738 56.884 56.100 0.077 0.000 0.991 494 R CB -0.155 30.181 30.300 0.060 0.000 0.883 494 R HN 0.318 nan 8.270 nan 0.000 0.457 495 E N 0.615 120.901 120.200 0.143 0.000 2.042 495 E HA 0.015 4.362 4.350 -0.006 0.000 0.189 495 E C 2.023 178.802 176.600 0.297 0.000 0.974 495 E CA 1.025 57.559 56.400 0.222 0.000 0.806 495 E CB -0.286 29.558 29.700 0.241 0.000 0.769 495 E HN 0.163 nan 8.360 nan 0.000 0.451 496 A N 2.322 125.358 122.820 0.360 0.000 1.927 496 A HA -0.242 4.075 4.320 -0.006 0.000 0.220 496 A C 1.804 179.436 177.584 0.081 0.000 1.185 496 A CA 2.134 54.319 52.037 0.247 0.000 0.639 496 A CB -0.499 18.674 19.000 0.288 0.000 0.820 496 A HN 0.116 nan 8.150 nan 0.000 0.451 497 D N -1.038 119.419 120.400 0.096 0.000 2.123 497 D HA -0.119 4.517 4.640 -0.006 0.000 0.200 497 D C 1.891 178.216 176.300 0.043 0.000 0.976 497 D CA 1.398 55.432 54.000 0.056 0.000 0.831 497 D CB -0.404 40.427 40.800 0.052 0.000 0.974 497 D HN 0.771 nan 8.370 nan 0.000 0.469 498 E N 0.598 120.839 120.200 0.068 0.000 2.153 498 E HA -0.175 4.171 4.350 -0.006 0.000 0.194 498 E C 1.931 178.562 176.600 0.051 0.000 0.988 498 E CA 1.768 58.206 56.400 0.063 0.000 0.811 498 E CB 0.086 29.839 29.700 0.088 0.000 0.746 498 E HN 0.325 nan 8.360 nan 0.000 0.466 499 T N -0.950 113.626 114.554 0.037 0.000 2.643 499 T HA -0.228 4.118 4.350 -0.006 0.000 0.264 499 T C 2.054 176.798 174.700 0.074 0.000 1.045 499 T CA 1.290 63.410 62.100 0.035 0.000 1.155 499 T CB -0.520 68.276 68.868 -0.120 0.000 0.863 499 T HN 0.149 nan 8.240 nan 0.000 0.420 500 R N 1.379 121.900 120.500 0.035 0.000 2.133 500 R HA -0.147 4.189 4.340 -0.006 0.000 0.247 500 R C 2.174 178.368 176.300 -0.178 0.000 1.151 500 R CA 1.872 57.837 56.100 -0.224 0.000 0.971 500 R CB -0.441 29.751 30.300 -0.180 0.000 0.866 500 R HN 0.468 nan 8.270 nan 0.000 0.447 501 N N 0.424 119.087 118.700 -0.062 0.000 2.331 501 N HA -0.111 4.626 4.740 -0.006 0.000 0.180 501 N C 1.258 176.753 175.510 -0.025 0.000 1.019 501 N CA 1.118 54.146 53.050 -0.036 0.000 0.881 501 N CB 0.022 38.510 38.487 0.003 0.000 0.972 501 N HN 0.306 nan 8.380 nan 0.000 0.435 502 K N 0.486 120.884 120.400 -0.003 0.000 2.243 502 K HA 0.187 4.503 4.320 -0.006 0.000 0.201 502 K C 1.788 178.391 176.600 0.005 0.000 1.051 502 K CA 0.555 56.858 56.287 0.027 0.000 0.970 502 K CB 0.175 32.715 32.500 0.066 0.000 0.755 502 K HN 0.055 nan 8.250 nan 0.000 0.465 503 A N 1.148 123.938 122.820 -0.050 0.000 2.123 503 A HA -0.061 4.256 4.320 -0.006 0.000 0.214 503 A C 1.926 179.393 177.584 -0.194 0.000 1.152 503 A CA 0.576 52.556 52.037 -0.094 0.000 0.728 503 A CB -0.272 18.648 19.000 -0.132 0.000 0.814 503 A HN 0.171 nan 8.150 nan 0.000 0.464 504 R N 0.154 120.536 120.500 -0.196 0.000 2.112 504 R HA -0.219 4.118 4.340 -0.006 0.000 0.242 504 R C 2.239 178.484 176.300 -0.091 0.000 1.137 504 R CA 1.892 57.891 56.100 -0.168 0.000 0.944 504 R CB -0.473 29.778 30.300 -0.082 0.000 0.857 504 R HN 0.415 nan 8.270 nan 0.000 0.435 505 A N 0.018 122.817 122.820 -0.035 0.000 1.940 505 A HA -0.131 4.186 4.320 -0.006 0.000 0.219 505 A C 2.302 179.894 177.584 0.014 0.000 1.176 505 A CA 1.806 53.843 52.037 0.001 0.000 0.631 505 A CB -0.524 18.494 19.000 0.029 0.000 0.814 505 A HN 0.279 nan 8.150 nan 0.000 0.446 506 V N -0.068 119.852 119.914 0.010 0.000 2.379 506 V HA -0.198 3.919 4.120 -0.006 0.000 0.245 506 V C 2.516 178.620 176.094 0.017 0.000 1.044 506 V CA 1.708 64.040 62.300 0.052 0.000 1.036 506 V CB -0.657 31.197 31.823 0.051 0.000 0.664 506 V HN 0.576 nan 8.190 nan 0.000 0.453 507 L N -0.531 120.628 121.223 -0.107 0.000 2.127 507 L HA -0.203 4.133 4.340 -0.006 0.000 0.211 507 L C 2.719 179.546 176.870 -0.071 0.000 1.089 507 L CA 1.569 56.277 54.840 -0.221 0.000 0.757 507 L CB -0.576 41.099 42.059 -0.639 0.000 0.899 507 L HN 0.251 nan 8.230 nan 0.000 0.434 508 R N -0.431 120.068 120.500 -0.001 0.000 2.148 508 R HA -0.086 4.250 4.340 -0.006 0.000 0.227 508 R C 2.391 178.732 176.300 0.069 0.000 1.103 508 R CA 1.009 57.163 56.100 0.091 0.000 0.983 508 R CB -0.234 30.099 30.300 0.056 0.000 0.874 508 R HN 0.361 nan 8.270 nan 0.000 0.451 509 A N 1.489 124.345 122.820 0.060 0.000 1.855 509 A HA -0.169 4.148 4.320 -0.006 0.000 0.215 509 A C 2.031 179.656 177.584 0.068 0.000 1.191 509 A CA 1.520 53.593 52.037 0.060 0.000 0.613 509 A CB -0.349 18.724 19.000 0.122 0.000 0.829 509 A HN 0.269 nan 8.150 nan 0.000 0.442 510 I N -1.140 119.517 120.570 0.146 0.000 2.439 510 I HA 0.101 4.268 4.170 -0.006 0.000 0.251 510 I C 2.427 178.707 176.117 0.272 0.000 1.139 510 I CA 0.971 62.416 61.300 0.242 0.000 1.438 510 I CB -1.188 37.005 38.000 0.321 0.000 1.085 510 I HN 0.164 nan 8.210 nan 0.000 0.427 511 A N 1.011 123.959 122.820 0.213 0.000 1.858 511 A HA -0.155 4.162 4.320 -0.006 0.000 0.216 511 A C 2.409 180.057 177.584 0.106 0.000 1.190 511 A CA 2.565 54.735 52.037 0.221 0.000 0.617 511 A CB -1.485 17.700 19.000 0.308 0.000 0.827 511 A HN 0.459 nan 8.150 nan 0.000 0.443 512 T N 0.297 114.875 114.554 0.039 0.000 2.833 512 T HA 0.011 4.358 4.350 -0.006 0.000 0.269 512 T C 2.127 176.707 174.700 -0.200 0.000 1.054 512 T CA 1.396 63.452 62.100 -0.073 0.000 1.135 512 T CB -0.384 68.449 68.868 -0.058 0.000 0.869 512 T HN 0.586 nan 8.240 nan 0.000 0.466 513 A N 1.165 123.883 122.820 -0.171 0.000 1.933 513 A HA -0.122 4.194 4.320 -0.006 0.000 0.218 513 A C 1.703 179.043 177.584 -0.408 0.000 1.175 513 A CA 1.110 52.946 52.037 -0.336 0.000 0.628 513 A CB -0.455 18.247 19.000 -0.497 0.000 0.814 513 A HN 0.609 nan 8.150 nan 0.000 0.444 514 H N -1.750 117.341 119.070 0.034 0.000 2.505 514 H HA 0.197 4.749 4.556 -0.006 0.000 0.286 514 H C -0.462 175.026 175.328 0.266 0.000 1.072 514 H CA 0.230 56.385 56.048 0.178 0.000 1.141 514 H CB -0.197 29.650 29.762 0.142 0.000 1.550 514 H HN 0.760 nan 8.280 nan 0.000 0.547 515 H N -0.368 118.789 119.070 0.145 0.000 2.713 515 H HA -0.130 4.422 4.556 -0.006 0.000 0.311 515 H C 0.651 176.034 175.328 0.092 0.000 1.175 515 H CA 0.357 56.460 56.048 0.093 0.000 1.143 515 H CB -1.793 28.010 29.762 0.067 0.000 1.434 515 H HN 0.571 nan 8.280 nan 0.000 0.418 516 A N 0.506 123.432 122.820 0.177 0.000 2.406 516 A HA 0.552 4.869 4.320 -0.006 0.000 0.243 516 A C 1.584 179.211 177.584 0.072 0.000 1.082 516 A CA 0.370 52.487 52.037 0.134 0.000 0.786 516 A CB 0.265 19.356 19.000 0.152 0.000 1.029 516 A HN 0.642 nan 8.150 nan 0.000 0.495 517 K N 0.112 120.534 120.400 0.036 0.000 2.186 517 K HA 0.270 4.586 4.320 -0.006 0.000 0.202 517 K C 1.658 178.211 176.600 -0.077 0.000 1.052 517 K CA 1.664 57.947 56.287 -0.008 0.000 0.965 517 K CB -1.160 31.337 32.500 -0.006 0.000 0.746 517 K HN 1.151 nan 8.250 nan 0.000 0.457 518 E N 0.821 120.950 120.200 -0.119 0.000 2.463 518 E HA 0.379 4.725 4.350 -0.006 0.000 0.191 518 E C 0.682 176.909 176.600 -0.621 0.000 1.083 518 E CA 0.267 56.479 56.400 -0.314 0.000 0.872 518 E CB -1.336 28.188 29.700 -0.294 0.000 0.966 518 E HN 0.401 nan 8.360 nan 0.000 0.491 519 V N 0.708 120.443 119.914 -0.298 0.000 3.014 519 V HA -0.002 4.115 4.120 -0.006 0.000 0.277 519 V C 0.450 176.323 176.094 -0.368 0.000 1.455 519 V CA 0.846 63.049 62.300 -0.162 0.000 1.467 519 V CB -0.511 31.298 31.823 -0.024 0.000 0.913 519 V HN 0.505 nan 8.190 nan 0.000 0.529 520 F N 0.000 119.929 119.950 -0.035 0.000 2.286 520 F HA 0.000 4.523 4.527 -0.006 0.000 0.279 520 F CA 0.000 57.969 58.000 -0.051 0.000 1.383 520 F CB 0.000 38.954 39.000 -0.076 0.000 1.145 520 F HN 0.000 nan 8.300 nan 0.000 0.574