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 2pnc_1_B DATA FIRST_RESID 57 DATA SEQUENCE QLFADLSREE LTTVMSFLTQ QLGPDLVDAA QARPSDNCVF SVELQLPPKA DATA SEQUENCE AALAHLDRGS PPPAREALAI VFFGGQPQPN VTELVVGPLP QPSYMRDVTV DATA SEQUENCE ERHGGPLPYY RRPVLLREYL DIDQMIFNRE LPQAAGVLHH CCSYKQGGQK DATA SEQUENCE LLTMNSAPRG VQSGDRSTWF GIYYNITKGG PYLHPVGLEL LVDHKALDPA DATA SEQUENCE DWTVQKVFFQ GRYYENLAQL EEQFEAGQVN VVVIPDXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXRFSVQG NRVASSLWTF SFGLGAFSGP RVFDVRFQGE DATA SEQUENCE RLAYEISLQE AGAVYGGNTP AAMLTRYMDS GFGMGYFATP LIRGVDcPYL DATA SEQUENCE ATYMDWHFVV ESQTPKTLHD AFcVFEQNKG LPLRRXXXXX XXXXXGGVAQ DATA SEQUENCE TVLVFRSVST MLNXDYVWDM VFYPNGAIEV KLHATGYISS AFLFGAARRY DATA SEQUENCE GNQVGEHTLG PVHTHSAHYK VDLDVGGLEN WVWAEDMAFV PTAIPWSPEH DATA SEQUENCE QIQRLQVTRK QLETEEQAAF PLGGASPRYL YLASKQSNKW GHPRGYRIQT DATA SEQUENCE VSFAGGPMPQ NSPMERAFSW GRYQLAITQR KETEPSSSSV FNQNDPWTPT DATA SEQUENCE VDFSDFINNE TIAGKDLVAW VTAGFLHIPH AEDIPNTVTV GNGVGFFLRP DATA SEQUENCE YNFFDQEPSM D 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 175.881 176.000 -0.198 0.000 1.003 57 Q CA 0.000 55.741 55.803 -0.103 0.000 1.022 57 Q CB 0.000 28.691 28.738 -0.079 0.000 1.108 58 L N -3.480 117.535 121.223 -0.348 0.000 2.567 58 L HA 0.379 4.722 4.340 0.005 0.000 0.225 58 L C 0.830 177.244 176.870 -0.761 0.000 1.119 58 L CA 0.542 55.043 54.840 -0.566 0.000 0.871 58 L CB -0.215 41.423 42.059 -0.702 0.000 1.036 58 L HN -0.108 nan 8.230 nan 0.000 0.459 59 F N 1.177 120.977 119.950 -0.250 0.000 2.728 59 F HA 0.510 5.039 4.527 0.004 0.000 0.314 59 F C 1.563 177.229 175.800 -0.225 0.000 1.094 59 F CA -0.750 57.011 58.000 -0.398 0.000 1.217 59 F CB -0.105 38.562 39.000 -0.556 0.000 1.056 59 F HN -0.006 nan 8.300 nan 0.000 0.577 60 A N 0.795 123.589 122.820 -0.043 0.000 2.520 60 A HA 0.147 4.469 4.320 0.005 0.000 0.245 60 A C 0.111 177.698 177.584 0.005 0.000 1.072 60 A CA -0.261 51.745 52.037 -0.051 0.000 0.761 60 A CB -0.198 18.755 19.000 -0.078 0.000 1.004 60 A HN 0.087 nan 8.150 nan 0.000 0.499 61 D N 1.415 121.858 120.400 0.072 0.000 2.423 61 D HA 0.170 4.812 4.640 0.005 0.000 0.238 61 D C 0.506 176.856 176.300 0.082 0.000 1.142 61 D CA 0.299 54.394 54.000 0.158 0.000 0.884 61 D CB 0.453 41.466 40.800 0.355 0.000 1.199 61 D HN 0.459 nan 8.370 nan 0.000 0.438 62 L N 1.759 123.015 121.223 0.055 0.000 2.601 62 L HA -0.058 4.285 4.340 0.005 0.000 0.277 62 L C 1.354 178.199 176.870 -0.042 0.000 1.219 62 L CA 0.037 54.871 54.840 -0.009 0.000 0.915 62 L CB -0.174 41.873 42.059 -0.021 0.000 1.160 62 L HN 0.402 nan 8.230 nan 0.000 0.494 63 S N 3.658 119.309 115.700 -0.080 0.000 2.589 63 S HA 0.054 4.527 4.470 0.005 0.000 0.265 63 S C 1.171 175.634 174.600 -0.228 0.000 1.342 63 S CA -0.316 57.788 58.200 -0.159 0.000 1.005 63 S CB 1.012 64.129 63.200 -0.139 0.000 0.909 63 S HN 0.782 nan 8.310 nan 0.000 0.555 64 R N 0.745 120.997 120.500 -0.413 0.000 2.105 64 R HA -0.183 4.160 4.340 0.005 0.000 0.239 64 R C 2.125 178.308 176.300 -0.195 0.000 1.135 64 R CA 1.908 57.804 56.100 -0.340 0.000 0.967 64 R CB -0.537 29.503 30.300 -0.433 0.000 0.861 64 R HN 0.914 nan 8.270 nan 0.000 0.442 65 E N 0.549 120.647 120.200 -0.170 0.000 2.077 65 E HA -0.222 4.131 4.350 0.005 0.000 0.193 65 E C 1.648 178.187 176.600 -0.101 0.000 0.989 65 E CA 1.544 57.875 56.400 -0.115 0.000 0.800 65 E CB -0.002 29.640 29.700 -0.098 0.000 0.746 65 E HN 0.552 nan 8.360 nan 0.000 0.452 66 E N 0.101 120.237 120.200 -0.107 0.000 2.085 66 E HA -0.202 4.151 4.350 0.005 0.000 0.194 66 E C 2.130 178.679 176.600 -0.085 0.000 0.994 66 E CA 0.765 57.109 56.400 -0.093 0.000 0.801 66 E CB -0.000 29.646 29.700 -0.090 0.000 0.743 66 E HN 0.180 nan 8.360 nan 0.000 0.453 67 L N 0.736 121.902 121.223 -0.096 0.000 2.042 67 L HA -0.182 4.161 4.340 0.005 0.000 0.210 67 L C 2.375 179.201 176.870 -0.074 0.000 1.076 67 L CA 1.837 56.623 54.840 -0.090 0.000 0.749 67 L CB -1.225 40.759 42.059 -0.124 0.000 0.893 67 L HN 0.139 nan 8.230 nan 0.000 0.432 68 T N -1.402 113.105 114.554 -0.077 0.000 2.746 68 T HA -0.171 4.181 4.350 0.005 0.000 0.267 68 T C 1.830 176.513 174.700 -0.029 0.000 1.039 68 T CA 1.783 63.850 62.100 -0.056 0.000 1.142 68 T CB -0.310 68.523 68.868 -0.058 0.000 0.866 68 T HN 0.353 nan 8.240 nan 0.000 0.444 69 T N 2.037 116.568 114.554 -0.037 0.000 2.652 69 T HA -0.112 4.241 4.350 0.005 0.000 0.267 69 T C 2.198 176.908 174.700 0.017 0.000 1.039 69 T CA 1.276 63.362 62.100 -0.022 0.000 1.153 69 T CB -0.647 68.181 68.868 -0.066 0.000 0.863 69 T HN 0.161 nan 8.240 nan 0.000 0.428 70 V N 1.726 121.637 119.914 -0.004 0.000 2.332 70 V HA -0.200 3.923 4.120 0.005 0.000 0.248 70 V C 2.626 178.774 176.094 0.091 0.000 1.055 70 V CA 1.457 63.784 62.300 0.044 0.000 1.038 70 V CB -0.604 31.226 31.823 0.013 0.000 0.651 70 V HN 0.435 nan 8.190 nan 0.000 0.450 71 M N -0.289 119.333 119.600 0.037 0.000 2.159 71 M HA -0.125 4.357 4.480 0.005 0.000 0.263 71 M C 2.381 178.708 176.300 0.044 0.000 1.063 71 M CA 1.668 56.984 55.300 0.026 0.000 1.110 71 M CB -1.345 31.246 32.600 -0.014 0.000 1.374 71 M HN 0.379 nan 8.290 nan 0.000 0.411 72 S N -0.073 115.661 115.700 0.057 0.000 2.387 72 S HA -0.069 4.403 4.470 0.005 0.000 0.226 72 S C 1.736 176.398 174.600 0.105 0.000 1.026 72 S CA 0.751 58.989 58.200 0.063 0.000 0.972 72 S CB -0.373 62.861 63.200 0.056 0.000 0.814 72 S HN 0.418 nan 8.310 nan 0.000 0.477 73 F N 1.891 121.831 119.950 -0.016 0.000 2.186 73 F HA -0.004 4.526 4.527 0.006 0.000 0.299 73 F C 1.727 177.533 175.800 0.010 0.000 1.090 73 F CA 0.920 58.914 58.000 -0.010 0.000 1.307 73 F CB -0.093 38.891 39.000 -0.026 0.000 1.019 73 F HN 0.105 nan 8.300 nan 0.000 0.489 74 L N -0.684 120.586 121.223 0.079 0.000 2.005 74 L HA -0.231 4.112 4.340 0.005 0.000 0.207 74 L C 2.376 179.228 176.870 -0.031 0.000 1.072 74 L CA 1.814 56.665 54.840 0.019 0.000 0.744 74 L CB -1.265 40.832 42.059 0.065 0.000 0.895 74 L HN 0.032 nan 8.230 nan 0.000 0.433 75 T N -0.869 113.678 114.554 -0.012 0.000 2.699 75 T HA -0.316 4.037 4.350 0.005 0.000 0.268 75 T C 1.808 176.480 174.700 -0.047 0.000 1.036 75 T CA 1.906 63.997 62.100 -0.014 0.000 1.147 75 T CB -0.256 68.610 68.868 -0.003 0.000 0.862 75 T HN 0.438 nan 8.240 nan 0.000 0.446 76 Q N -0.257 119.488 119.800 -0.092 0.000 2.245 76 Q HA -0.079 4.264 4.340 0.005 0.000 0.201 76 Q C 2.029 177.912 176.000 -0.194 0.000 0.955 76 Q CA 0.822 56.550 55.803 -0.125 0.000 0.870 76 Q CB 0.086 28.751 28.738 -0.122 0.000 0.945 76 Q HN 0.364 nan 8.270 nan 0.000 0.461 77 Q N 0.142 119.767 119.800 -0.292 0.000 2.324 77 Q HA 0.219 4.561 4.340 0.005 0.000 0.207 77 Q C 0.470 176.395 176.000 -0.125 0.000 0.928 77 Q CA 0.238 55.858 55.803 -0.306 0.000 0.890 77 Q CB 0.353 28.745 28.738 -0.578 0.000 1.001 77 Q HN 0.329 nan 8.270 nan 0.000 0.517 78 L N 0.924 122.112 121.223 -0.060 0.000 2.410 78 L HA 0.110 4.453 4.340 0.005 0.000 0.273 78 L C 1.637 178.526 176.870 0.031 0.000 1.152 78 L CA -0.105 54.755 54.840 0.034 0.000 0.855 78 L CB 0.810 42.933 42.059 0.107 0.000 1.129 78 L HN 0.192 nan 8.230 nan 0.000 0.463 79 G N 4.008 112.829 108.800 0.034 0.000 2.453 79 G HA2 -0.084 3.879 3.960 0.005 0.000 0.215 79 G HA3 -0.084 3.879 3.960 0.005 0.000 0.215 79 G C -1.362 173.563 174.900 0.042 0.000 1.201 79 G CA 0.140 45.251 45.100 0.018 0.000 0.784 79 G HN 0.492 nan 8.290 nan 0.000 0.545 80 P HA 0.226 nan 4.420 nan 0.000 0.266 80 P C -0.818 176.548 177.300 0.111 0.000 1.195 80 P CA -0.109 63.061 63.100 0.116 0.000 0.768 80 P CB 0.798 32.640 31.700 0.238 0.000 0.838 81 D N 1.631 122.082 120.400 0.086 0.000 2.312 81 D HA 0.235 4.878 4.640 0.005 0.000 0.252 81 D C -0.633 175.717 176.300 0.083 0.000 1.150 81 D CA -0.060 53.982 54.000 0.069 0.000 0.870 81 D CB 0.229 41.059 40.800 0.050 0.000 1.153 81 D HN 0.160 nan 8.370 nan 0.000 0.457 82 L N 3.229 124.493 121.223 0.068 0.000 2.343 82 L HA 0.526 4.869 4.340 0.005 0.000 0.275 82 L C -0.276 176.627 176.870 0.054 0.000 1.056 82 L CA -1.117 53.762 54.840 0.065 0.000 0.804 82 L CB 1.691 43.778 42.059 0.046 0.000 1.203 82 L HN 0.155 nan 8.230 nan 0.000 0.440 83 V N 0.150 120.101 119.914 0.063 0.000 2.732 83 V HA 0.181 4.304 4.120 0.005 0.000 0.310 83 V C -0.255 175.868 176.094 0.050 0.000 1.053 83 V CA -0.758 61.578 62.300 0.060 0.000 0.957 83 V CB 1.893 33.764 31.823 0.079 0.000 1.018 83 V HN 0.679 nan 8.190 nan 0.000 0.452 84 D N 2.492 122.917 120.400 0.042 0.000 2.451 84 D HA 0.135 4.778 4.640 0.005 0.000 0.254 84 D C 1.084 177.413 176.300 0.049 0.000 1.204 84 D CA 0.592 54.611 54.000 0.032 0.000 0.896 84 D CB 1.510 42.328 40.800 0.029 0.000 1.136 84 D HN 0.675 nan 8.370 nan 0.000 0.499 85 A N 4.187 127.026 122.820 0.031 0.000 2.076 85 A HA -0.078 4.245 4.320 0.005 0.000 0.220 85 A C 2.099 179.739 177.584 0.094 0.000 1.160 85 A CA 1.749 53.817 52.037 0.053 0.000 0.653 85 A CB -0.469 18.524 19.000 -0.011 0.000 0.801 85 A HN 0.672 nan 8.150 nan 0.000 0.455 86 A N -1.643 121.221 122.820 0.073 0.000 2.015 86 A HA -0.043 4.280 4.320 0.005 0.000 0.219 86 A C 1.646 179.301 177.584 0.118 0.000 1.163 86 A CA 1.285 53.381 52.037 0.099 0.000 0.646 86 A CB -0.048 18.994 19.000 0.068 0.000 0.806 86 A HN 0.435 nan 8.150 nan 0.000 0.448 87 Q N -0.862 119.001 119.800 0.105 0.000 2.115 87 Q HA 0.440 4.783 4.340 0.005 0.000 0.249 87 Q C -0.292 175.779 176.000 0.118 0.000 0.830 87 Q CA 0.239 56.106 55.803 0.108 0.000 1.104 87 Q CB 0.317 29.104 28.738 0.081 0.000 1.207 87 Q HN 0.489 nan 8.270 nan 0.000 0.464 88 A N 1.035 123.942 122.820 0.144 0.000 2.309 88 A HA 0.655 4.978 4.320 0.005 0.000 0.298 88 A C 0.016 177.717 177.584 0.196 0.000 1.165 88 A CA -0.337 51.798 52.037 0.163 0.000 0.821 88 A CB 0.736 19.844 19.000 0.180 0.000 1.102 88 A HN 0.012 nan 8.150 nan 0.000 0.500 89 R N 1.762 122.369 120.500 0.179 0.000 2.549 89 R HA 0.475 4.817 4.340 0.005 0.000 0.267 89 R C -1.905 174.546 176.300 0.251 0.000 1.045 89 R CA -2.478 53.736 56.100 0.190 0.000 1.115 89 R CB -0.156 30.213 30.300 0.115 0.000 1.121 89 R HN 0.393 nan 8.270 nan 0.000 0.543 90 P HA -0.128 nan 4.420 nan 0.000 0.217 90 P C 0.192 177.709 177.300 0.361 0.000 1.148 90 P CA 1.389 64.709 63.100 0.366 0.000 0.828 90 P CB 0.219 32.153 31.700 0.389 0.000 0.783 91 S N -2.822 113.009 115.700 0.219 0.000 2.660 91 S HA 0.132 4.605 4.470 0.005 0.000 0.227 91 S C 0.361 175.036 174.600 0.126 0.000 0.948 91 S CA -0.409 57.871 58.200 0.133 0.000 0.948 91 S CB -0.585 62.663 63.200 0.080 0.000 0.779 91 S HN -0.062 nan 8.310 nan 0.000 0.487 92 D N 2.372 122.882 120.400 0.184 0.000 2.268 92 D HA 0.391 5.034 4.640 0.005 0.000 0.249 92 D C -0.529 175.892 176.300 0.202 0.000 1.008 92 D CA -0.489 53.612 54.000 0.167 0.000 0.939 92 D CB 0.806 41.702 40.800 0.160 0.000 1.170 92 D HN 0.134 nan 8.370 nan 0.000 0.468 93 N N 0.373 119.174 118.700 0.169 0.000 2.434 93 N HA 0.384 5.126 4.740 0.005 0.000 0.272 93 N C -0.388 175.190 175.510 0.113 0.000 1.040 93 N CA -0.250 52.900 53.050 0.167 0.000 0.956 93 N CB 0.914 39.518 38.487 0.195 0.000 1.108 93 N HN 0.437 nan 8.380 nan 0.000 0.481 94 C N -1.157 118.190 119.300 0.079 0.000 3.239 94 C HA 0.509 4.971 4.460 0.005 0.000 0.329 94 C C -0.446 174.509 174.990 -0.058 0.000 1.252 94 C CA -0.987 58.049 59.018 0.030 0.000 1.323 94 C CB 0.492 28.275 27.740 0.072 0.000 1.663 94 C HN 0.363 nan 8.230 nan 0.000 0.487 95 V N 2.940 122.814 119.914 -0.068 0.000 2.353 95 V HA 0.202 4.324 4.120 0.005 0.000 0.264 95 V C 0.810 176.825 176.094 -0.131 0.000 1.049 95 V CA 0.195 62.444 62.300 -0.085 0.000 0.896 95 V CB 0.304 32.098 31.823 -0.049 0.000 1.025 95 V HN 0.943 nan 8.190 nan 0.000 0.475 96 F N 4.146 123.853 119.950 -0.405 0.000 2.102 96 F HA -0.042 4.487 4.527 0.004 0.000 0.298 96 F C 1.235 176.920 175.800 -0.192 0.000 1.105 96 F CA 1.349 59.047 58.000 -0.502 0.000 1.239 96 F CB 0.512 38.986 39.000 -0.878 0.000 0.991 96 F HN 0.609 nan 8.300 nan 0.000 0.474 97 S N -0.488 115.104 115.700 -0.180 0.000 2.552 97 S HA 0.533 5.005 4.470 0.005 0.000 0.272 97 S C -1.177 173.423 174.600 0.001 0.000 1.150 97 S CA -0.379 57.706 58.200 -0.192 0.000 0.849 97 S CB 1.372 64.456 63.200 -0.194 0.000 1.113 97 S HN 0.653 nan 8.310 nan 0.000 0.458 98 V N 0.128 120.028 119.914 -0.024 0.000 2.760 98 V HA 0.992 5.114 4.120 0.005 0.000 0.309 98 V C -0.970 175.142 176.094 0.030 0.000 1.077 98 V CA -0.251 62.070 62.300 0.034 0.000 0.910 98 V CB 1.181 33.013 31.823 0.014 0.000 1.008 98 V HN 1.366 nan 8.190 nan 0.000 0.424 99 E N 4.630 124.883 120.200 0.087 0.000 2.456 99 E HA 0.528 4.881 4.350 0.005 0.000 0.278 99 E C -1.321 175.349 176.600 0.117 0.000 1.034 99 E CA -1.290 55.170 56.400 0.100 0.000 0.846 99 E CB 1.774 31.565 29.700 0.151 0.000 1.460 99 E HN 0.886 nan 8.360 nan 0.000 0.463 100 L N 1.654 122.954 121.223 0.129 0.000 2.559 100 L HA 0.097 4.440 4.340 0.005 0.000 0.274 100 L C -0.235 176.717 176.870 0.136 0.000 1.205 100 L CA 0.518 55.425 54.840 0.111 0.000 0.907 100 L CB 0.444 42.572 42.059 0.116 0.000 1.153 100 L HN 0.603 nan 8.230 nan 0.000 0.490 101 Q N 4.875 124.741 119.800 0.110 0.000 2.337 101 Q HA 0.298 4.640 4.340 0.005 0.000 0.255 101 Q C -1.082 174.979 176.000 0.102 0.000 0.997 101 Q CA -0.343 55.536 55.803 0.126 0.000 0.925 101 Q CB 0.504 29.314 28.738 0.119 0.000 1.212 101 Q HN 0.639 nan 8.270 nan 0.000 0.436 102 L N 7.211 128.517 121.223 0.138 0.000 2.540 102 L HA 0.201 4.543 4.340 0.005 0.000 0.276 102 L C -1.805 175.128 176.870 0.104 0.000 1.212 102 L CA -0.900 54.014 54.840 0.124 0.000 0.893 102 L CB -0.219 41.976 42.059 0.227 0.000 1.138 102 L HN 0.719 nan 8.230 nan 0.000 0.491 103 P HA 0.240 nan 4.420 nan 0.000 0.274 103 P C -2.597 174.769 177.300 0.110 0.000 1.237 103 P CA -1.511 61.608 63.100 0.030 0.000 0.793 103 P CB -0.256 31.392 31.700 -0.086 0.000 0.977 104 P HA 0.077 nan 4.420 nan 0.000 0.265 104 P C 1.068 178.417 177.300 0.083 0.000 1.193 104 P CA 0.046 63.189 63.100 0.073 0.000 0.765 104 P CB 0.460 32.180 31.700 0.033 0.000 0.823 105 K N 3.121 123.542 120.400 0.034 0.000 2.057 105 K HA -0.196 4.127 4.320 0.005 0.000 0.207 105 K C 1.794 178.359 176.600 -0.058 0.000 1.049 105 K CA 1.663 57.882 56.287 -0.114 0.000 0.931 105 K CB -0.509 31.739 32.500 -0.420 0.000 0.714 105 K HN 0.472 nan 8.250 nan 0.000 0.440 106 A N 1.025 123.821 122.820 -0.041 0.000 1.883 106 A HA -0.151 4.172 4.320 0.005 0.000 0.217 106 A C 2.307 179.903 177.584 0.020 0.000 1.186 106 A CA 2.085 54.112 52.037 -0.015 0.000 0.624 106 A CB -0.835 18.155 19.000 -0.015 0.000 0.822 106 A HN 0.496 nan 8.150 nan 0.000 0.444 107 A N -0.692 122.142 122.820 0.025 0.000 2.014 107 A HA 0.313 4.636 4.320 0.005 0.000 0.218 107 A C 2.393 180.011 177.584 0.056 0.000 1.163 107 A CA 1.677 53.732 52.037 0.030 0.000 0.652 107 A CB -0.715 18.290 19.000 0.008 0.000 0.808 107 A HN 0.946 nan 8.150 nan 0.000 0.449 108 A N -0.147 122.721 122.820 0.080 0.000 1.872 108 A HA 0.082 4.404 4.320 0.005 0.000 0.214 108 A C 2.085 179.794 177.584 0.209 0.000 1.187 108 A CA 1.254 53.367 52.037 0.126 0.000 0.614 108 A CB -0.498 18.641 19.000 0.231 0.000 0.826 108 A HN 0.432 nan 8.150 nan 0.000 0.442 109 L N -0.737 120.600 121.223 0.190 0.000 2.156 109 L HA -0.114 4.229 4.340 0.005 0.000 0.208 109 L C 3.033 179.970 176.870 0.111 0.000 1.095 109 L CA 0.795 55.735 54.840 0.167 0.000 0.770 109 L CB -0.520 41.605 42.059 0.110 0.000 0.914 109 L HN 0.435 nan 8.230 nan 0.000 0.439 110 A N -0.249 122.627 122.820 0.092 0.000 1.933 110 A HA -0.301 4.022 4.320 0.005 0.000 0.218 110 A C 2.115 179.753 177.584 0.089 0.000 1.175 110 A CA 2.090 54.171 52.037 0.073 0.000 0.628 110 A CB -0.732 18.305 19.000 0.060 0.000 0.814 110 A HN 0.524 nan 8.150 nan 0.000 0.444 111 H N -0.424 118.658 119.070 0.021 0.000 2.333 111 H HA 0.115 4.674 4.556 0.004 0.000 0.302 111 H C 1.715 177.059 175.328 0.026 0.000 1.075 111 H CA 1.703 57.756 56.048 0.008 0.000 1.348 111 H CB -0.246 29.504 29.762 -0.020 0.000 1.393 111 H HN 0.325 nan 8.280 nan 0.000 0.509 112 L N -0.164 121.060 121.223 0.001 0.000 2.141 112 L HA -0.105 4.238 4.340 0.005 0.000 0.209 112 L C 1.148 178.000 176.870 -0.030 0.000 1.094 112 L CA 1.436 56.262 54.840 -0.023 0.000 0.763 112 L CB -0.038 42.114 42.059 0.156 0.000 0.908 112 L HN 0.382 nan 8.230 nan 0.000 0.437 113 D N -1.481 118.921 120.400 0.004 0.000 2.473 113 D HA 0.057 4.700 4.640 0.005 0.000 0.230 113 D C 1.630 177.928 176.300 -0.004 0.000 1.097 113 D CA 0.356 54.364 54.000 0.014 0.000 0.861 113 D CB 0.479 41.309 40.800 0.051 0.000 1.114 113 D HN 0.073 nan 8.370 nan 0.000 0.500 114 R N -0.331 120.164 120.500 -0.010 0.000 2.476 114 R HA 0.312 4.655 4.340 0.005 0.000 0.276 114 R C 0.931 177.219 176.300 -0.020 0.000 0.941 114 R CA 0.430 56.527 56.100 -0.005 0.000 1.088 114 R CB 1.140 31.448 30.300 0.013 0.000 1.216 114 R HN 0.066 nan 8.270 nan 0.000 0.533 115 G N 0.701 109.462 108.800 -0.064 0.000 2.153 115 G HA2 -0.303 3.660 3.960 0.005 0.000 0.252 115 G HA3 -0.303 3.660 3.960 0.005 0.000 0.252 115 G C 0.053 174.950 174.900 -0.004 0.000 0.994 115 G CA 0.470 45.526 45.100 -0.075 0.000 0.698 115 G HN 0.307 nan 8.290 nan 0.000 0.521 116 S N 1.159 116.881 115.700 0.038 0.000 2.600 116 S HA 0.490 4.963 4.470 0.005 0.000 0.265 116 S C -1.656 173.077 174.600 0.221 0.000 1.325 116 S CA -0.647 57.609 58.200 0.094 0.000 1.002 116 S CB 1.045 64.293 63.200 0.080 0.000 0.921 116 S HN 0.269 nan 8.310 nan 0.000 0.554 117 P HA 0.200 nan 4.420 nan 0.000 0.269 117 P C -2.420 174.870 177.300 -0.016 0.000 1.215 117 P CA -1.140 62.021 63.100 0.103 0.000 0.780 117 P CB -0.426 31.287 31.700 0.021 0.000 0.898 118 P HA 0.186 nan 4.420 nan 0.000 0.269 118 P C -2.446 174.701 177.300 -0.256 0.000 1.215 118 P CA -1.117 61.619 63.100 -0.608 0.000 0.780 118 P CB -0.927 30.373 31.700 -0.666 0.000 0.898 119 P HA 0.140 nan 4.420 nan 0.000 0.272 119 P C -0.422 176.815 177.300 -0.106 0.000 1.230 119 P CA -0.245 62.787 63.100 -0.114 0.000 0.788 119 P CB 0.122 31.765 31.700 -0.095 0.000 0.949 120 A N 2.307 125.099 122.820 -0.046 0.000 2.537 120 A HA -0.003 4.320 4.320 0.005 0.000 0.260 120 A C 0.620 178.182 177.584 -0.037 0.000 1.082 120 A CA 0.119 52.144 52.037 -0.020 0.000 0.765 120 A CB -0.738 18.303 19.000 0.068 0.000 1.019 120 A HN 0.519 nan 8.150 nan 0.000 0.507 121 R N 2.562 123.015 120.500 -0.078 0.000 2.370 121 R HA 0.262 4.605 4.340 0.005 0.000 0.309 121 R C -0.324 175.938 176.300 -0.062 0.000 1.059 121 R CA 0.478 56.525 56.100 -0.088 0.000 0.981 121 R CB 0.250 30.482 30.300 -0.115 0.000 0.972 121 R HN 0.839 nan 8.270 nan 0.000 0.437 122 E N 1.996 122.180 120.200 -0.027 0.000 2.369 122 E HA 0.605 4.958 4.350 0.005 0.000 0.270 122 E C -1.385 175.228 176.600 0.021 0.000 0.909 122 E CA -1.220 55.185 56.400 0.009 0.000 0.775 122 E CB 2.146 31.896 29.700 0.083 0.000 1.270 122 E HN 0.662 nan 8.360 nan 0.000 0.445 123 A N 1.402 124.242 122.820 0.034 0.000 2.380 123 A HA 0.667 4.990 4.320 0.005 0.000 0.315 123 A C -1.576 176.071 177.584 0.106 0.000 1.101 123 A CA -0.614 51.459 52.037 0.060 0.000 0.771 123 A CB 1.021 20.040 19.000 0.030 0.000 1.287 123 A HN 0.410 nan 8.150 nan 0.000 0.436 124 L N 1.880 123.183 121.223 0.134 0.000 2.298 124 L HA 0.751 5.094 4.340 0.005 0.000 0.284 124 L C 0.123 177.100 176.870 0.178 0.000 1.013 124 L CA -0.031 54.911 54.840 0.170 0.000 0.824 124 L CB 1.147 43.327 42.059 0.200 0.000 1.221 124 L HN 0.861 nan 8.230 nan 0.000 0.418 125 A N 6.317 129.241 122.820 0.174 0.000 2.292 125 A HA 0.697 5.020 4.320 0.005 0.000 0.319 125 A C -0.500 177.209 177.584 0.208 0.000 1.206 125 A CA -0.483 51.652 52.037 0.164 0.000 0.835 125 A CB 0.348 19.425 19.000 0.128 0.000 1.164 125 A HN 0.709 nan 8.150 nan 0.000 0.505 126 I N 3.207 123.922 120.570 0.242 0.000 2.312 126 I HA 0.311 4.483 4.170 0.005 0.000 0.290 126 I C -0.747 175.505 176.117 0.226 0.000 1.008 126 I CA -0.484 61.012 61.300 0.327 0.000 1.226 126 I CB 1.513 39.820 38.000 0.511 0.000 1.371 126 I HN 0.291 nan 8.210 nan 0.000 0.468 127 V N 7.046 127.060 119.914 0.165 0.000 2.448 127 V HA 0.358 4.480 4.120 0.005 0.000 0.295 127 V C -0.177 175.976 176.094 0.099 0.000 1.025 127 V CA -0.558 61.712 62.300 -0.051 0.000 0.859 127 V CB 1.663 33.253 31.823 -0.389 0.000 0.988 127 V HN 0.442 nan 8.190 nan 0.000 0.431 128 F N 4.413 124.288 119.950 -0.125 0.000 2.405 128 F HA 0.394 4.924 4.527 0.004 0.000 0.358 128 F C 0.223 176.029 175.800 0.010 0.000 1.151 128 F CA -0.410 57.633 58.000 0.070 0.000 1.161 128 F CB 0.477 39.577 39.000 0.167 0.000 1.245 128 F HN 0.452 nan 8.300 nan 0.000 0.545 129 F N 2.182 122.344 119.950 0.353 0.000 2.573 129 F HA 0.198 4.728 4.527 0.004 0.000 0.349 129 F C 1.333 177.034 175.800 -0.165 0.000 1.213 129 F CA -0.376 57.687 58.000 0.105 0.000 1.300 129 F CB 0.546 39.575 39.000 0.047 0.000 1.661 129 F HN 0.576 nan 8.300 nan 0.000 0.616 130 G N 0.506 109.315 108.800 0.015 0.000 2.939 130 G HA2 0.041 4.004 3.960 0.005 0.000 0.210 130 G HA3 0.041 4.004 3.960 0.005 0.000 0.210 130 G C 1.220 176.064 174.900 -0.092 0.000 1.160 130 G CA 0.123 45.029 45.100 -0.322 0.000 0.770 130 G HN 0.620 nan 8.290 nan 0.000 0.543 131 G N 0.491 109.317 108.800 0.045 0.000 3.939 131 G HA2 0.511 4.474 3.960 0.005 0.000 0.268 131 G HA3 0.511 4.474 3.960 0.005 0.000 0.268 131 G C -0.040 174.873 174.900 0.023 0.000 1.172 131 G CA -0.394 44.736 45.100 0.049 0.000 1.614 131 G HN 0.558 nan 8.290 nan 0.000 0.639 132 Q N -0.882 118.901 119.800 -0.028 0.000 2.575 132 Q HA 0.389 4.732 4.340 0.005 0.000 0.290 132 Q C -2.501 173.463 176.000 -0.059 0.000 0.963 132 Q CA -1.586 54.190 55.803 -0.044 0.000 0.783 132 Q CB 1.185 29.884 28.738 -0.067 0.000 1.467 132 Q HN -0.055 nan 8.270 nan 0.000 0.402 133 P HA -0.223 nan 4.420 nan 0.000 0.219 133 P C -0.444 176.825 177.300 -0.052 0.000 1.158 133 P CA 1.626 64.700 63.100 -0.044 0.000 0.895 133 P CB 0.207 31.883 31.700 -0.041 0.000 0.792 134 Q N -0.714 119.046 119.800 -0.066 0.000 2.394 134 Q HA 0.277 4.620 4.340 0.005 0.000 0.261 134 Q C -2.547 173.389 176.000 -0.106 0.000 1.023 134 Q CA -2.131 53.630 55.803 -0.070 0.000 0.720 134 Q CB 2.074 30.782 28.738 -0.050 0.000 1.241 134 Q HN 0.144 nan 8.270 nan 0.000 0.483 135 P HA 0.062 nan 4.420 nan 0.000 0.275 135 P C -1.152 176.032 177.300 -0.192 0.000 1.227 135 P CA -0.127 62.771 63.100 -0.337 0.000 0.781 135 P CB 0.829 32.072 31.700 -0.762 0.000 0.906 136 N N 0.608 119.279 118.700 -0.048 0.000 2.610 136 N HA 0.388 5.131 4.740 0.005 0.000 0.264 136 N C -1.662 174.013 175.510 0.275 0.000 1.348 136 N CA -1.063 52.052 53.050 0.110 0.000 0.819 136 N CB 0.881 39.404 38.487 0.061 0.000 1.521 136 N HN 0.004 nan 8.380 nan 0.000 0.497 137 V N 0.209 120.200 119.914 0.128 0.000 2.394 137 V HA 0.579 4.702 4.120 0.005 0.000 0.282 137 V C -0.177 175.988 176.094 0.118 0.000 1.031 137 V CA -0.303 62.055 62.300 0.097 0.000 0.881 137 V CB 0.997 32.715 31.823 -0.174 0.000 0.982 137 V HN 0.806 nan 8.190 nan 0.000 0.451 138 T N 4.476 119.177 114.554 0.245 0.000 2.841 138 T HA 0.407 4.760 4.350 0.005 0.000 0.283 138 T C -0.458 174.389 174.700 0.244 0.000 1.000 138 T CA -0.490 61.774 62.100 0.272 0.000 0.977 138 T CB 1.275 70.440 68.868 0.494 0.000 0.979 138 T HN 0.741 nan 8.240 nan 0.000 0.446 139 E N 2.825 123.161 120.200 0.227 0.000 2.109 139 E HA 0.395 4.747 4.350 0.005 0.000 0.278 139 E C -0.761 175.966 176.600 0.211 0.000 0.954 139 E CA -0.391 56.154 56.400 0.243 0.000 0.779 139 E CB 1.125 30.984 29.700 0.266 0.000 1.093 139 E HN 0.400 nan 8.360 nan 0.000 0.401 140 L N 3.633 124.982 121.223 0.210 0.000 2.287 140 L HA 0.361 4.703 4.340 0.005 0.000 0.287 140 L C -0.505 176.481 176.870 0.192 0.000 1.022 140 L CA -1.016 53.944 54.840 0.200 0.000 0.814 140 L CB 1.524 43.707 42.059 0.206 0.000 1.217 140 L HN 0.264 nan 8.230 nan 0.000 0.420 141 V N 4.963 124.991 119.914 0.190 0.000 2.408 141 V HA 0.246 4.368 4.120 0.005 0.000 0.267 141 V C 0.180 176.426 176.094 0.254 0.000 1.047 141 V CA -0.359 62.059 62.300 0.198 0.000 0.937 141 V CB 1.487 33.416 31.823 0.175 0.000 0.999 141 V HN 0.418 nan 8.190 nan 0.000 0.472 142 V N 4.434 124.461 119.914 0.187 0.000 2.513 142 V HA 1.038 5.161 4.120 0.005 0.000 0.299 142 V C 0.534 176.577 176.094 -0.085 0.000 1.035 142 V CA 0.146 62.505 62.300 0.098 0.000 0.889 142 V CB 1.299 33.174 31.823 0.087 0.000 0.988 142 V HN 1.084 nan 8.190 nan 0.000 0.440 143 G N 4.636 113.137 108.800 -0.499 0.000 2.320 143 G HA2 0.526 4.488 3.960 0.005 0.000 0.296 143 G HA3 0.526 4.488 3.960 0.005 0.000 0.296 143 G C -3.582 170.534 174.900 -1.306 0.000 1.306 143 G CA -0.661 44.044 45.100 -0.658 0.000 0.836 143 G HN 0.520 nan 8.290 nan 0.000 0.517 144 P HA 0.564 nan 4.420 nan 0.000 0.292 144 P C -0.083 177.049 177.300 -0.281 0.000 1.283 144 P CA -0.571 62.341 63.100 -0.313 0.000 0.835 144 P CB 1.567 33.188 31.700 -0.132 0.000 1.017 145 L N 4.604 125.700 121.223 -0.211 0.000 2.452 145 L HA 0.178 4.521 4.340 0.005 0.000 0.267 145 L C -0.498 176.285 176.870 -0.145 0.000 1.188 145 L CA -1.232 53.499 54.840 -0.181 0.000 0.821 145 L CB 0.049 42.022 42.059 -0.143 0.000 1.102 145 L HN 0.366 nan 8.230 nan 0.000 0.470 146 P HA -0.045 nan 4.420 nan 0.000 0.240 146 P C -0.106 177.102 177.300 -0.153 0.000 1.190 146 P CA 0.532 63.556 63.100 -0.127 0.000 0.781 146 P CB 0.440 32.083 31.700 -0.095 0.000 0.931 147 Q N 1.060 120.752 119.800 -0.180 0.000 2.394 147 Q HA 0.414 4.757 4.340 0.005 0.000 0.261 147 Q C -2.761 173.033 176.000 -0.343 0.000 1.023 147 Q CA -2.637 53.039 55.803 -0.212 0.000 0.720 147 Q CB 1.273 29.932 28.738 -0.132 0.000 1.241 147 Q HN 0.004 nan 8.270 nan 0.000 0.483 148 P HA 0.123 nan 4.420 nan 0.000 0.271 148 P C -0.202 176.558 177.300 -0.899 0.000 1.216 148 P CA 0.098 62.626 63.100 -0.953 0.000 0.776 148 P CB 1.181 31.960 31.700 -1.535 0.000 0.881 149 S N 0.315 115.637 115.700 -0.630 0.000 2.728 149 S HA 0.210 4.683 4.470 0.005 0.000 0.257 149 S C -0.113 174.585 174.600 0.162 0.000 1.060 149 S CA -0.255 57.877 58.200 -0.114 0.000 1.126 149 S CB -0.415 62.767 63.200 -0.029 0.000 1.099 149 S HN 0.484 nan 8.310 nan 0.000 0.617 150 Y N -0.645 119.713 120.300 0.097 0.000 2.588 150 Y HA 0.817 5.369 4.550 0.004 0.000 0.343 150 Y C -0.844 175.222 175.900 0.277 0.000 1.065 150 Y CA -1.963 56.255 58.100 0.198 0.000 1.038 150 Y CB 1.389 39.903 38.460 0.091 0.000 1.297 150 Y HN 0.084 nan 8.280 nan 0.000 0.467 151 M N 3.532 123.436 119.600 0.506 0.000 2.037 151 M HA 0.534 5.017 4.480 0.005 0.000 0.255 151 M C -2.135 174.326 176.300 0.270 0.000 0.914 151 M CA -0.495 55.035 55.300 0.384 0.000 0.986 151 M CB 0.814 33.607 32.600 0.321 0.000 1.947 151 M HN 0.857 nan 8.290 nan 0.000 0.419 152 R N 2.198 122.848 120.500 0.250 0.000 2.255 152 R HA 0.320 4.663 4.340 0.005 0.000 0.326 152 R C -0.808 175.576 176.300 0.139 0.000 0.986 152 R CA -0.434 55.754 56.100 0.148 0.000 0.847 152 R CB 0.905 31.248 30.300 0.072 0.000 1.111 152 R HN 0.483 nan 8.270 nan 0.000 0.452 153 D N 3.000 123.473 120.400 0.122 0.000 2.344 153 D HA 0.001 4.644 4.640 0.005 0.000 0.253 153 D C 0.616 176.970 176.300 0.090 0.000 1.255 153 D CA -0.303 53.771 54.000 0.124 0.000 0.894 153 D CB 0.900 41.771 40.800 0.118 0.000 1.067 153 D HN 0.344 nan 8.370 nan 0.000 0.492 154 V N 1.247 121.217 119.914 0.094 0.000 3.444 154 V HA 0.107 4.229 4.120 0.005 0.000 0.308 154 V C 1.579 177.696 176.094 0.039 0.000 1.371 154 V CA 0.117 62.450 62.300 0.056 0.000 1.141 154 V CB -0.530 31.326 31.823 0.054 0.000 1.037 154 V HN 0.423 nan 8.190 nan 0.000 0.433 155 T N 1.834 116.434 114.554 0.077 0.000 2.569 155 T HA -0.201 4.151 4.350 0.005 0.000 0.263 155 T C 1.965 176.701 174.700 0.060 0.000 1.074 155 T CA 2.373 64.532 62.100 0.097 0.000 1.176 155 T CB -0.409 68.528 68.868 0.115 0.000 0.863 155 T HN 0.404 nan 8.240 nan 0.000 0.410 156 V N 1.790 121.734 119.914 0.050 0.000 2.380 156 V HA -0.230 3.893 4.120 0.005 0.000 0.251 156 V C 2.538 178.639 176.094 0.012 0.000 1.063 156 V CA 2.143 64.465 62.300 0.037 0.000 1.055 156 V CB -0.798 31.040 31.823 0.026 0.000 0.657 156 V HN 0.579 nan 8.190 nan 0.000 0.455 157 E N 0.497 120.693 120.200 -0.005 0.000 2.058 157 E HA -0.252 4.101 4.350 0.005 0.000 0.194 157 E C 2.381 178.941 176.600 -0.066 0.000 0.997 157 E CA 1.560 57.945 56.400 -0.024 0.000 0.801 157 E CB -0.057 29.632 29.700 -0.018 0.000 0.746 157 E HN 0.565 nan 8.360 nan 0.000 0.450 158 R N -1.342 119.064 120.500 -0.157 0.000 2.246 158 R HA 0.039 4.382 4.340 0.005 0.000 0.199 158 R C 1.081 177.117 176.300 -0.439 0.000 0.984 158 R CA 0.653 56.551 56.100 -0.337 0.000 1.015 158 R CB 0.253 30.247 30.300 -0.509 0.000 0.930 158 R HN 0.317 nan 8.270 nan 0.000 0.475 159 H N -1.992 117.107 119.070 0.048 0.000 3.398 159 H HA 0.240 4.799 4.556 0.005 0.000 0.260 159 H C 1.229 176.572 175.328 0.025 0.000 1.189 159 H CA 0.560 56.632 56.048 0.040 0.000 1.145 159 H CB 1.552 31.324 29.762 0.017 0.000 1.599 159 H HN 0.353 nan 8.280 nan 0.000 0.615 160 G N 0.620 109.478 108.800 0.096 0.000 2.245 160 G HA2 -0.232 3.731 3.960 0.005 0.000 0.264 160 G HA3 -0.232 3.731 3.960 0.005 0.000 0.264 160 G C 0.692 175.624 174.900 0.053 0.000 0.985 160 G CA 0.588 45.726 45.100 0.062 0.000 0.625 160 G HN 0.872 nan 8.290 nan 0.000 0.536 161 G N -1.139 107.703 108.800 0.070 0.000 2.554 161 G HA2 0.711 4.673 3.960 0.005 0.000 0.306 161 G HA3 0.711 4.673 3.960 0.005 0.000 0.306 161 G C -3.292 171.630 174.900 0.037 0.000 1.320 161 G CA -0.021 45.103 45.100 0.040 0.000 0.800 161 G HN 0.286 nan 8.290 nan 0.000 0.481 162 P HA 0.416 nan 4.420 nan 0.000 0.274 162 P C -0.426 176.822 177.300 -0.087 0.000 1.231 162 P CA -0.393 62.695 63.100 -0.021 0.000 0.790 162 P CB 0.821 32.505 31.700 -0.026 0.000 0.951 163 L N 4.238 125.373 121.223 -0.147 0.000 2.283 163 L HA 0.297 4.640 4.340 0.005 0.000 0.287 163 L C -2.026 174.655 176.870 -0.315 0.000 1.073 163 L CA -2.034 52.613 54.840 -0.321 0.000 0.822 163 L CB 0.421 42.150 42.059 -0.551 0.000 1.186 163 L HN 0.188 nan 8.230 nan 0.000 0.436 164 P HA -0.149 nan 4.420 nan 0.000 0.263 164 P C 0.101 177.055 177.300 -0.577 0.000 1.175 164 P CA 0.374 63.129 63.100 -0.576 0.000 0.761 164 P CB 0.340 31.414 31.700 -1.043 0.000 0.794 165 Y N 3.163 123.155 120.300 -0.513 0.000 2.497 165 Y HA -0.205 4.347 4.550 0.004 0.000 0.292 165 Y C 1.649 177.362 175.900 -0.311 0.000 1.137 165 Y CA 0.898 58.787 58.100 -0.351 0.000 1.285 165 Y CB -0.143 38.213 38.460 -0.173 0.000 0.991 165 Y HN 0.418 nan 8.280 nan 0.000 0.556 166 Y N -2.310 117.920 120.300 -0.118 0.000 2.523 166 Y HA 0.234 4.787 4.550 0.005 0.000 0.279 166 Y C 1.722 177.526 175.900 -0.161 0.000 1.139 166 Y CA -0.214 57.789 58.100 -0.161 0.000 1.296 166 Y CB -0.799 37.615 38.460 -0.076 0.000 1.045 166 Y HN -0.148 nan 8.280 nan 0.000 0.538 167 R N 1.699 122.055 120.500 -0.240 0.000 2.240 167 R HA 0.047 4.390 4.340 0.005 0.000 0.203 167 R C 0.733 176.992 176.300 -0.067 0.000 1.011 167 R CA 0.123 56.178 56.100 -0.075 0.000 1.007 167 R CB -0.108 30.114 30.300 -0.131 0.000 0.911 167 R HN 0.405 nan 8.270 nan 0.000 0.468 168 R N 2.635 122.958 120.500 -0.295 0.000 2.570 168 R HA 0.100 4.442 4.340 0.005 0.000 0.277 168 R C -2.559 173.555 176.300 -0.311 0.000 1.039 168 R CA -1.522 54.318 56.100 -0.433 0.000 1.065 168 R CB -0.214 29.329 30.300 -1.262 0.000 0.964 168 R HN -0.229 nan 8.270 nan 0.000 0.428 169 P HA -0.077 nan 4.420 nan 0.000 0.267 169 P C -0.545 176.751 177.300 -0.006 0.000 1.200 169 P CA -0.244 62.774 63.100 -0.136 0.000 0.772 169 P CB 0.489 32.108 31.700 -0.135 0.000 0.855 170 V N 4.688 124.632 119.914 0.050 0.000 2.450 170 V HA -0.063 4.059 4.120 0.005 0.000 0.281 170 V C 0.937 177.135 176.094 0.173 0.000 1.019 170 V CA 0.079 62.387 62.300 0.013 0.000 1.062 170 V CB -0.395 31.292 31.823 -0.226 0.000 0.979 170 V HN 0.376 nan 8.190 nan 0.000 0.477 171 L N 4.562 125.926 121.223 0.235 0.000 2.499 171 L HA 0.023 4.366 4.340 0.005 0.000 0.281 171 L C 1.170 178.276 176.870 0.392 0.000 1.234 171 L CA 0.528 55.590 54.840 0.371 0.000 0.839 171 L CB 0.074 42.346 42.059 0.354 0.000 1.104 171 L HN 0.576 nan 8.230 nan 0.000 0.500 172 L N 2.053 123.568 121.223 0.487 0.000 2.046 172 L HA -0.167 4.176 4.340 0.005 0.000 0.208 172 L C 2.396 179.510 176.870 0.406 0.000 1.077 172 L CA 1.507 56.662 54.840 0.525 0.000 0.747 172 L CB -0.540 41.766 42.059 0.412 0.000 0.896 172 L HN 0.816 nan 8.230 nan 0.000 0.432 173 R N -0.012 120.677 120.500 0.314 0.000 2.148 173 R HA -0.174 4.168 4.340 0.005 0.000 0.227 173 R C 2.111 178.580 176.300 0.281 0.000 1.103 173 R CA 1.749 58.008 56.100 0.264 0.000 0.983 173 R CB -0.504 29.930 30.300 0.223 0.000 0.874 173 R HN 0.600 nan 8.270 nan 0.000 0.451 174 E N -1.167 119.196 120.200 0.272 0.000 2.107 174 E HA -0.176 4.177 4.350 0.005 0.000 0.191 174 E C 1.374 178.051 176.600 0.129 0.000 0.982 174 E CA 0.981 57.525 56.400 0.240 0.000 0.809 174 E CB -0.189 29.582 29.700 0.119 0.000 0.756 174 E HN 0.519 nan 8.360 nan 0.000 0.459 175 Y N 0.603 121.022 120.300 0.197 0.000 2.181 175 Y HA -0.196 4.356 4.550 0.004 0.000 0.288 175 Y C 2.234 178.203 175.900 0.116 0.000 1.146 175 Y CA 0.992 59.173 58.100 0.136 0.000 1.164 175 Y CB 0.024 38.614 38.460 0.217 0.000 0.982 175 Y HN 0.076 nan 8.280 nan 0.000 0.515 176 L N -0.540 120.881 121.223 0.329 0.000 2.093 176 L HA -0.215 4.128 4.340 0.005 0.000 0.208 176 L C 1.654 178.660 176.870 0.226 0.000 1.085 176 L CA 1.103 56.094 54.840 0.251 0.000 0.755 176 L CB -0.480 41.711 42.059 0.220 0.000 0.904 176 L HN 0.219 nan 8.230 nan 0.000 0.435 177 D N 0.240 120.797 120.400 0.261 0.000 2.224 177 D HA -0.084 4.558 4.640 0.005 0.000 0.205 177 D C 2.282 178.801 176.300 0.365 0.000 0.965 177 D CA 1.021 55.194 54.000 0.289 0.000 0.852 177 D CB 0.088 41.082 40.800 0.322 0.000 0.947 177 D HN 0.322 nan 8.370 nan 0.000 0.494 178 I N 0.819 121.555 120.570 0.276 0.000 2.315 178 I HA -0.217 3.956 4.170 0.005 0.000 0.248 178 I C 1.746 177.828 176.117 -0.058 0.000 1.117 178 I CA 0.913 62.223 61.300 0.016 0.000 1.404 178 I CB -0.004 37.743 38.000 -0.422 0.000 1.071 178 I HN -0.167 nan 8.210 nan 0.000 0.419 179 D N 0.388 120.812 120.400 0.041 0.000 2.117 179 D HA -0.165 4.478 4.640 0.005 0.000 0.197 179 D C 2.314 178.780 176.300 0.276 0.000 0.987 179 D CA 0.964 55.064 54.000 0.166 0.000 0.829 179 D CB -0.181 40.838 40.800 0.364 0.000 0.961 179 D HN 0.245 nan 8.370 nan 0.000 0.460 180 Q N 0.059 119.996 119.800 0.229 0.000 2.045 180 Q HA -0.200 4.143 4.340 0.005 0.000 0.206 180 Q C 2.298 178.387 176.000 0.150 0.000 0.991 180 Q CA 1.050 56.972 55.803 0.198 0.000 0.851 180 Q CB -0.698 28.124 28.738 0.141 0.000 0.911 180 Q HN 0.422 nan 8.270 nan 0.000 0.418 181 M N 0.122 119.791 119.600 0.115 0.000 2.080 181 M HA -0.182 4.301 4.480 0.005 0.000 0.260 181 M C 2.061 178.368 176.300 0.011 0.000 1.068 181 M CA 1.525 56.873 55.300 0.081 0.000 1.109 181 M CB -0.078 32.607 32.600 0.142 0.000 1.342 181 M HN 0.129 nan 8.290 nan 0.000 0.405 182 I N -0.347 120.167 120.570 -0.093 0.000 2.142 182 I HA -0.292 3.881 4.170 0.005 0.000 0.240 182 I C 2.026 178.007 176.117 -0.228 0.000 1.078 182 I CA 1.616 62.760 61.300 -0.259 0.000 1.343 182 I CB -0.518 37.158 38.000 -0.541 0.000 1.046 182 I HN 0.252 nan 8.210 nan 0.000 0.405 183 F N 0.695 120.670 119.950 0.040 0.000 2.259 183 F HA -0.088 4.441 4.527 0.005 0.000 0.298 183 F C 2.069 177.916 175.800 0.077 0.000 1.088 183 F CA 1.259 59.301 58.000 0.071 0.000 1.358 183 F CB -0.413 38.631 39.000 0.074 0.000 1.040 183 F HN 0.098 nan 8.300 nan 0.000 0.505 184 N N -0.426 118.406 118.700 0.219 0.000 2.415 184 N HA 0.032 4.775 4.740 0.005 0.000 0.174 184 N C 1.034 176.602 175.510 0.098 0.000 1.048 184 N CA 0.283 53.422 53.050 0.149 0.000 0.895 184 N CB 0.177 38.739 38.487 0.125 0.000 1.036 184 N HN 0.203 nan 8.380 nan 0.000 0.449 185 R N -0.787 119.756 120.500 0.071 0.000 2.569 185 R HA 0.334 4.677 4.340 0.005 0.000 0.422 185 R C -0.104 176.208 176.300 0.020 0.000 0.980 185 R CA -0.002 56.125 56.100 0.045 0.000 1.164 185 R CB 0.449 30.774 30.300 0.041 0.000 1.520 185 R HN -0.008 nan 8.270 nan 0.000 0.567 186 E N 0.747 120.947 120.200 -0.000 0.000 2.940 186 E HA 0.179 4.532 4.350 0.005 0.000 0.203 186 E C 1.797 178.353 176.600 -0.074 0.000 0.995 186 E CA 0.026 56.402 56.400 -0.039 0.000 1.396 186 E CB 0.087 29.750 29.700 -0.062 0.000 1.310 186 E HN 0.090 nan 8.360 nan 0.000 0.613 187 L N 1.784 122.953 121.223 -0.091 0.000 2.042 187 L HA -0.110 4.232 4.340 0.005 0.000 0.210 187 L C -0.625 176.156 176.870 -0.147 0.000 1.076 187 L CA 1.512 56.246 54.840 -0.178 0.000 0.749 187 L CB -1.512 40.452 42.059 -0.159 0.000 0.893 187 L HN 0.087 nan 8.230 nan 0.000 0.432 188 P HA -0.184 nan 4.420 nan 0.000 0.221 188 P C 1.192 178.522 177.300 0.050 0.000 1.145 188 P CA 1.146 64.334 63.100 0.146 0.000 0.795 188 P CB -0.013 31.777 31.700 0.150 0.000 0.775 189 Q N -1.243 118.544 119.800 -0.020 0.000 2.515 189 Q HA 0.138 4.481 4.340 0.005 0.000 0.212 189 Q C 1.058 177.000 176.000 -0.096 0.000 0.970 189 Q CA 0.731 56.509 55.803 -0.041 0.000 0.941 189 Q CB -0.069 28.642 28.738 -0.046 0.000 0.998 189 Q HN 0.142 nan 8.270 nan 0.000 0.518 190 A N -0.746 121.977 122.820 -0.161 0.000 2.663 190 A HA 0.594 4.917 4.320 0.005 0.000 0.273 190 A C 1.118 178.541 177.584 -0.268 0.000 0.932 190 A CA 0.198 52.079 52.037 -0.260 0.000 1.055 190 A CB 0.108 18.877 19.000 -0.386 0.000 1.206 190 A HN 0.230 nan 8.150 nan 0.000 0.485 191 A N 0.118 122.906 122.820 -0.053 0.000 1.877 191 A HA 0.143 4.466 4.320 0.005 0.000 0.216 191 A C 2.253 180.016 177.584 0.298 0.000 1.186 191 A CA 2.172 54.347 52.037 0.229 0.000 0.620 191 A CB -1.035 18.263 19.000 0.496 0.000 0.822 191 A HN 1.039 nan 8.150 nan 0.000 0.443 192 G N -0.830 108.064 108.800 0.156 0.000 2.476 192 G HA2 -0.204 3.759 3.960 0.005 0.000 0.218 192 G HA3 -0.204 3.759 3.960 0.005 0.000 0.218 192 G C 1.636 176.479 174.900 -0.094 0.000 1.164 192 G CA 1.389 46.594 45.100 0.176 0.000 0.768 192 G HN 0.626 nan 8.290 nan 0.000 0.560 193 V N -0.225 119.306 119.914 -0.638 0.000 2.719 193 V HA 0.070 4.193 4.120 0.005 0.000 0.252 193 V C 2.680 178.421 176.094 -0.587 0.000 1.065 193 V CA 1.175 62.695 62.300 -1.301 0.000 1.086 193 V CB -0.050 30.903 31.823 -1.450 0.000 0.700 193 V HN 0.226 nan 8.190 nan 0.000 0.467 194 L N -0.403 120.597 121.223 -0.371 0.000 2.095 194 L HA 0.005 4.348 4.340 0.005 0.000 0.204 194 L C 2.482 179.358 176.870 0.010 0.000 1.080 194 L CA 1.797 56.491 54.840 -0.244 0.000 0.759 194 L CB -1.204 40.529 42.059 -0.543 0.000 0.914 194 L HN 0.393 nan 8.230 nan 0.000 0.439 195 H N -1.644 117.489 119.070 0.104 0.000 2.353 195 H HA -0.235 4.324 4.556 0.005 0.000 0.298 195 H C 2.197 177.586 175.328 0.100 0.000 1.103 195 H CA 2.185 58.318 56.048 0.142 0.000 1.293 195 H CB 0.013 29.856 29.762 0.135 0.000 1.372 195 H HN 0.474 nan 8.280 nan 0.000 0.501 196 H N -0.103 119.034 119.070 0.111 0.000 2.276 196 H HA -0.133 4.426 4.556 0.005 0.000 0.301 196 H C 2.844 178.209 175.328 0.061 0.000 1.073 196 H CA 2.608 58.712 56.048 0.094 0.000 1.311 196 H CB -0.118 29.684 29.762 0.066 0.000 1.379 196 H HN 0.455 nan 8.280 nan 0.000 0.494 197 C N -0.762 118.653 119.300 0.193 0.000 2.446 197 C HA 0.015 4.478 4.460 0.005 0.000 0.277 197 C C 1.882 176.928 174.990 0.092 0.000 1.275 197 C CA 0.406 59.504 59.018 0.134 0.000 1.727 197 C CB -0.797 26.995 27.740 0.088 0.000 2.010 197 C HN 0.658 nan 8.230 nan 0.000 0.486 198 C N 1.021 120.359 119.300 0.063 0.000 3.144 198 C HA 0.559 5.021 4.460 0.005 0.000 0.253 198 C C 0.877 175.940 174.990 0.121 0.000 2.010 198 C CA 0.084 59.127 59.018 0.043 0.000 1.698 198 C CB -2.067 25.573 27.740 -0.167 0.000 3.346 198 C HN 0.755 nan 8.230 nan 0.000 0.449 199 S N 1.081 116.857 115.700 0.126 0.000 3.477 199 S HA -0.281 4.191 4.470 0.005 0.000 0.371 199 S C -0.075 174.542 174.600 0.028 0.000 0.965 199 S CA 0.174 58.435 58.200 0.102 0.000 1.239 199 S CB -1.082 62.190 63.200 0.121 0.000 0.918 199 S HN 0.800 nan 8.310 nan 0.000 0.498 200 Y N 2.436 122.599 120.300 -0.229 0.000 2.637 200 Y HA 0.376 4.929 4.550 0.005 0.000 0.350 200 Y C 1.028 176.627 175.900 -0.502 0.000 1.069 200 Y CA 0.540 58.441 58.100 -0.332 0.000 1.397 200 Y CB -0.117 38.140 38.460 -0.338 0.000 1.163 200 Y HN 0.521 nan 8.280 nan 0.000 0.527 201 K N 1.879 121.883 120.400 -0.660 0.000 3.606 201 K HA -0.298 4.025 4.320 0.005 0.000 0.289 201 K C 0.366 176.810 176.600 -0.259 0.000 1.221 201 K CA 1.393 57.329 56.287 -0.585 0.000 1.028 201 K CB -0.667 31.273 32.500 -0.934 0.000 1.299 201 K HN 0.686 nan 8.250 nan 0.000 0.454 202 Q N 0.962 120.666 119.800 -0.161 0.000 3.150 202 Q HA 0.170 4.513 4.340 0.005 0.000 0.297 202 Q C 0.655 176.670 176.000 0.025 0.000 1.382 202 Q CA 1.012 56.857 55.803 0.070 0.000 1.059 202 Q CB -0.023 28.899 28.738 0.306 0.000 1.559 202 Q HN 0.473 nan 8.270 nan 0.000 0.548 203 G N 1.838 110.631 108.800 -0.011 0.000 2.233 203 G HA2 -0.301 3.662 3.960 0.005 0.000 0.270 203 G HA3 -0.301 3.662 3.960 0.005 0.000 0.270 203 G C 0.330 175.227 174.900 -0.004 0.000 1.011 203 G CA 0.398 45.493 45.100 -0.008 0.000 0.762 203 G HN 0.698 nan 8.290 nan 0.000 0.511 204 G N -1.879 106.916 108.800 -0.008 0.000 2.890 204 G HA2 0.601 4.564 3.960 0.005 0.000 0.189 204 G HA3 0.601 4.564 3.960 0.005 0.000 0.189 204 G C 0.008 174.925 174.900 0.028 0.000 1.342 204 G CA -0.313 44.797 45.100 0.018 0.000 1.026 204 G HN 0.291 nan 8.290 nan 0.000 0.579 205 Q N -0.426 119.430 119.800 0.093 0.000 2.396 205 Q HA 0.324 4.667 4.340 0.005 0.000 0.221 205 Q C -0.538 175.546 176.000 0.141 0.000 1.025 205 Q CA -0.121 55.760 55.803 0.129 0.000 0.946 205 Q CB 1.429 30.310 28.738 0.237 0.000 1.224 205 Q HN 0.296 nan 8.270 nan 0.000 0.539 206 K N 0.577 121.056 120.400 0.131 0.000 2.110 206 K HA 0.448 4.771 4.320 0.005 0.000 0.263 206 K C -0.924 175.790 176.600 0.189 0.000 0.975 206 K CA -0.365 55.985 56.287 0.105 0.000 0.895 206 K CB 0.650 33.169 32.500 0.033 0.000 1.060 206 K HN 0.278 nan 8.250 nan 0.000 0.448 207 L N 3.447 124.784 121.223 0.189 0.000 2.332 207 L HA 0.675 5.018 4.340 0.005 0.000 0.269 207 L C -0.698 176.355 176.870 0.305 0.000 1.016 207 L CA -0.988 54.001 54.840 0.249 0.000 0.809 207 L CB 0.807 43.023 42.059 0.261 0.000 1.280 207 L HN 0.526 nan 8.230 nan 0.000 0.447 208 L N -2.452 118.994 121.223 0.373 0.000 2.403 208 L HA 0.987 5.330 4.340 0.005 0.000 0.253 208 L C -0.280 176.884 176.870 0.490 0.000 1.045 208 L CA -0.540 54.559 54.840 0.432 0.000 0.845 208 L CB 1.624 43.852 42.059 0.282 0.000 1.447 208 L HN 0.609 nan 8.230 nan 0.000 0.411 209 T N -1.452 113.382 114.554 0.466 0.000 2.918 209 T HA 0.760 5.113 4.350 0.005 0.000 0.286 209 T C -0.386 174.555 174.700 0.402 0.000 1.026 209 T CA -0.572 61.774 62.100 0.410 0.000 1.031 209 T CB 1.495 70.524 68.868 0.269 0.000 1.046 209 T HN 0.891 nan 8.240 nan 0.000 0.479 210 M N 2.361 122.148 119.600 0.311 0.000 2.393 210 M HA 0.461 4.944 4.480 0.005 0.000 0.316 210 M C -0.827 175.509 176.300 0.060 0.000 1.087 210 M CA -0.778 54.469 55.300 -0.088 0.000 0.937 210 M CB 1.943 34.107 32.600 -0.726 0.000 1.668 210 M HN 0.883 nan 8.290 nan 0.000 0.438 211 N N 1.551 120.228 118.700 -0.039 0.000 2.493 211 N HA 0.575 5.318 4.740 0.005 0.000 0.275 211 N C -1.409 174.038 175.510 -0.105 0.000 1.186 211 N CA -0.057 52.945 53.050 -0.081 0.000 0.978 211 N CB 1.134 39.694 38.487 0.121 0.000 1.184 211 N HN 0.697 nan 8.380 nan 0.000 0.487 212 S N 0.165 115.803 115.700 -0.104 0.000 2.638 212 S HA 0.908 5.380 4.470 0.005 0.000 0.274 212 S C -1.471 173.183 174.600 0.089 0.000 1.157 212 S CA -0.759 57.436 58.200 -0.008 0.000 0.826 212 S CB 1.304 64.442 63.200 -0.103 0.000 1.139 212 S HN 0.870 nan 8.310 nan 0.000 0.474 213 A N 1.007 123.846 122.820 0.030 0.000 2.589 213 A HA 0.915 5.238 4.320 0.005 0.000 0.296 213 A C -3.208 174.333 177.584 -0.072 0.000 1.062 213 A CA -1.575 50.514 52.037 0.086 0.000 0.686 213 A CB 1.180 20.389 19.000 0.347 0.000 1.282 213 A HN 0.624 nan 8.150 nan 0.000 0.404 214 P HA 0.398 nan 4.420 nan 0.000 0.297 214 P C -0.857 176.521 177.300 0.130 0.000 1.303 214 P CA -0.292 62.819 63.100 0.019 0.000 0.753 214 P CB 0.523 32.115 31.700 -0.180 0.000 1.281 215 R N -0.237 120.383 120.500 0.200 0.000 2.860 215 R HA 0.657 5.000 4.340 0.005 0.000 0.282 215 R C 0.405 176.787 176.300 0.137 0.000 1.408 215 R CA -0.384 55.794 56.100 0.129 0.000 1.636 215 R CB 0.300 30.633 30.300 0.055 0.000 1.187 215 R HN 0.838 nan 8.270 nan 0.000 0.611 216 G N -0.398 108.508 108.800 0.176 0.000 2.302 216 G HA2 -0.056 3.907 3.960 0.005 0.000 0.264 216 G HA3 -0.056 3.907 3.960 0.005 0.000 0.264 216 G C -0.187 174.729 174.900 0.027 0.000 1.335 216 G CA -0.278 44.820 45.100 -0.003 0.000 0.982 216 G HN 0.212 nan 8.290 nan 0.000 0.473 217 V N -2.418 117.299 119.914 -0.328 0.000 3.432 217 V HA 0.577 4.699 4.120 0.005 0.000 0.298 217 V C 0.147 175.650 176.094 -0.984 0.000 1.464 217 V CA 1.439 63.546 62.300 -0.323 0.000 1.046 217 V CB -0.135 31.579 31.823 -0.182 0.000 0.887 217 V HN 1.438 nan 8.190 nan 0.000 0.441 218 Q N -1.073 117.706 119.800 -1.701 0.000 2.804 218 Q HA 0.473 4.816 4.340 0.005 0.000 0.302 218 Q C -1.259 173.894 176.000 -1.411 0.000 0.885 218 Q CA -0.640 54.101 55.803 -1.771 0.000 0.759 218 Q CB 1.159 29.431 28.738 -0.776 0.000 1.465 218 Q HN 0.054 nan 8.270 nan 0.000 0.432 219 S N -0.388 114.946 115.700 -0.610 0.000 2.560 219 S HA 0.450 4.923 4.470 0.005 0.000 0.284 219 S C 0.996 175.280 174.600 -0.526 0.000 1.327 219 S CA 1.072 59.145 58.200 -0.211 0.000 1.055 219 S CB 0.489 63.720 63.200 0.052 0.000 0.868 219 S HN 1.143 nan 8.310 nan 0.000 0.506 220 G N 2.595 110.788 108.800 -1.012 0.000 2.213 220 G HA2 -0.187 3.775 3.960 0.005 0.000 0.236 220 G HA3 -0.187 3.775 3.960 0.005 0.000 0.236 220 G C -0.407 174.044 174.900 -0.748 0.000 0.991 220 G CA -0.226 44.007 45.100 -1.444 0.000 0.629 220 G HN 0.636 nan 8.290 nan 0.000 0.517 221 D N 0.112 120.205 120.400 -0.511 0.000 2.350 221 D HA 0.545 5.187 4.640 0.005 0.000 0.249 221 D C 0.864 177.034 176.300 -0.217 0.000 1.119 221 D CA 0.075 53.874 54.000 -0.335 0.000 0.886 221 D CB 1.048 41.632 40.800 -0.359 0.000 1.195 221 D HN 0.338 nan 8.370 nan 0.000 0.437 222 R N 0.958 121.305 120.500 -0.254 0.000 2.701 222 R HA 0.212 4.555 4.340 0.005 0.000 0.281 222 R C -1.120 174.894 176.300 -0.477 0.000 1.367 222 R CA -0.302 55.578 56.100 -0.366 0.000 1.510 222 R CB 0.097 30.127 30.300 -0.451 0.000 1.306 222 R HN 0.179 nan 8.270 nan 0.000 0.682 223 S N 0.430 115.984 115.700 -0.243 0.000 2.566 223 S HA 0.360 4.833 4.470 0.005 0.000 0.324 223 S C -0.528 174.004 174.600 -0.114 0.000 1.081 223 S CA -0.451 57.647 58.200 -0.169 0.000 1.105 223 S CB 1.964 65.043 63.200 -0.202 0.000 0.981 223 S HN 0.159 nan 8.310 nan 0.000 0.464 224 T N 2.579 117.129 114.554 -0.006 0.000 2.797 224 T HA 0.319 4.672 4.350 0.005 0.000 0.279 224 T C -0.586 173.980 174.700 -0.223 0.000 0.991 224 T CA -0.476 61.554 62.100 -0.117 0.000 0.979 224 T CB 0.507 69.251 68.868 -0.208 0.000 0.943 224 T HN 0.583 nan 8.240 nan 0.000 0.444 225 W N 3.252 124.458 121.300 -0.155 0.000 2.546 225 W HA 0.405 5.068 4.660 0.004 0.000 0.323 225 W C -0.561 175.822 176.519 -0.227 0.000 1.272 225 W CA -0.764 56.518 57.345 -0.104 0.000 1.404 225 W CB -0.050 29.356 29.460 -0.091 0.000 1.411 225 W HN 0.525 nan 8.180 nan 0.000 0.480 226 F N 2.850 122.958 119.950 0.264 0.000 2.415 226 F HA 0.502 5.032 4.527 0.005 0.000 0.348 226 F C 1.059 176.975 175.800 0.193 0.000 1.119 226 F CA -0.660 57.446 58.000 0.177 0.000 1.069 226 F CB 0.946 40.000 39.000 0.089 0.000 1.124 226 F HN 0.250 nan 8.300 nan 0.000 0.472 227 G N 3.876 112.875 108.800 0.332 0.000 2.425 227 G HA2 0.561 4.523 3.960 0.005 0.000 0.302 227 G HA3 0.561 4.523 3.960 0.005 0.000 0.302 227 G C -0.814 174.250 174.900 0.274 0.000 1.159 227 G CA -0.559 44.690 45.100 0.248 0.000 0.865 227 G HN 0.404 nan 8.290 nan 0.000 0.515 228 I N 1.007 121.619 120.570 0.071 0.000 2.336 228 I HA 0.405 4.578 4.170 0.005 0.000 0.292 228 I C -0.787 175.293 176.117 -0.063 0.000 0.991 228 I CA -0.865 60.481 61.300 0.076 0.000 1.227 228 I CB 0.811 38.801 38.000 -0.016 0.000 1.366 228 I HN 0.387 nan 8.210 nan 0.000 0.466 229 Y N 4.272 124.660 120.300 0.146 0.000 2.605 229 Y HA 0.410 4.963 4.550 0.005 0.000 0.343 229 Y C -0.136 175.840 175.900 0.127 0.000 1.036 229 Y CA -0.742 57.459 58.100 0.168 0.000 1.065 229 Y CB 1.702 40.348 38.460 0.311 0.000 1.288 229 Y HN 0.329 nan 8.280 nan 0.000 0.481 230 Y N 0.827 121.316 120.300 0.315 0.000 2.480 230 Y HA -0.053 4.500 4.550 0.005 0.000 0.338 230 Y C 1.276 177.267 175.900 0.152 0.000 1.220 230 Y CA 0.418 58.625 58.100 0.179 0.000 1.430 230 Y CB 0.499 39.009 38.460 0.084 0.000 1.311 230 Y HN 0.633 nan 8.280 nan 0.000 0.575 231 N N 3.986 122.870 118.700 0.308 0.000 2.322 231 N HA 0.033 4.776 4.740 0.005 0.000 0.216 231 N C -0.104 175.449 175.510 0.072 0.000 1.144 231 N CA -0.241 52.898 53.050 0.149 0.000 0.830 231 N CB -0.006 38.546 38.487 0.109 0.000 1.034 231 N HN 0.558 nan 8.380 nan 0.000 0.484 232 I N 1.281 121.895 120.570 0.072 0.000 2.845 232 I HA -0.068 4.105 4.170 0.005 0.000 0.290 232 I C -0.359 175.743 176.117 -0.026 0.000 1.202 232 I CA 0.619 61.914 61.300 -0.007 0.000 1.406 232 I CB 0.674 38.655 38.000 -0.032 0.000 1.383 232 I HN 0.042 nan 8.210 nan 0.000 0.549 233 T N 5.859 120.390 114.554 -0.038 0.000 3.242 233 T HA 0.316 4.669 4.350 0.005 0.000 0.253 233 T C 0.257 174.925 174.700 -0.053 0.000 0.946 233 T CA -0.469 61.600 62.100 -0.052 0.000 0.944 233 T CB -0.116 68.733 68.868 -0.031 0.000 1.122 233 T HN 0.653 nan 8.240 nan 0.000 0.546 234 K N 0.743 121.099 120.400 -0.073 0.000 2.096 234 K HA 0.581 4.904 4.320 0.005 0.000 0.263 234 K C 1.042 177.569 176.600 -0.121 0.000 1.013 234 K CA -1.001 55.249 56.287 -0.062 0.000 1.218 234 K CB 0.265 32.736 32.500 -0.048 0.000 1.961 234 K HN 0.146 nan 8.250 nan 0.000 0.851 235 G N 0.404 109.137 108.800 -0.112 0.000 2.843 235 G HA2 0.394 4.357 3.960 0.005 0.000 0.275 235 G HA3 0.394 4.357 3.960 0.005 0.000 0.275 235 G C -0.052 174.415 174.900 -0.722 0.000 0.709 235 G CA 0.556 45.539 45.100 -0.196 0.000 2.089 235 G HN 0.643 nan 8.290 nan 0.000 0.571 236 G N 2.625 110.665 108.800 -1.267 0.000 2.952 236 G HA2 0.167 4.130 3.960 0.005 0.000 0.431 236 G HA3 0.167 4.130 3.960 0.005 0.000 0.431 236 G C -1.870 172.693 174.900 -0.561 0.000 1.325 236 G CA -0.145 44.258 45.100 -1.162 0.000 1.146 236 G HN 0.210 nan 8.290 nan 0.000 0.581 237 P HA 0.117 nan 4.420 nan 0.000 0.213 237 P C 0.493 177.433 177.300 -0.600 0.000 1.156 237 P CA 0.855 63.603 63.100 -0.586 0.000 0.884 237 P CB 0.207 31.376 31.700 -0.884 0.000 0.774 238 Y N -0.085 120.048 120.300 -0.278 0.000 2.928 238 Y HA 0.307 4.859 4.550 0.005 0.000 0.390 238 Y C 1.063 176.924 175.900 -0.065 0.000 1.101 238 Y CA -0.200 57.610 58.100 -0.483 0.000 1.777 238 Y CB -0.694 37.340 38.460 -0.710 0.000 1.720 238 Y HN -0.165 nan 8.280 nan 0.000 0.484 239 L N -0.314 120.955 121.223 0.077 0.000 2.858 239 L HA 0.219 4.562 4.340 0.005 0.000 0.251 239 L C 0.126 176.936 176.870 -0.101 0.000 1.149 239 L CA 0.308 55.137 54.840 -0.018 0.000 0.955 239 L CB 0.189 42.139 42.059 -0.181 0.000 1.289 239 L HN 0.311 nan 8.230 nan 0.000 0.542 240 H N 0.627 119.922 119.070 0.375 0.000 2.448 240 H HA 0.345 4.904 4.556 0.005 0.000 0.237 240 H C -2.465 173.070 175.328 0.345 0.000 1.391 240 H CA -1.691 54.581 56.048 0.374 0.000 1.477 240 H CB 0.876 30.881 29.762 0.405 0.000 1.520 240 H HN -0.065 nan 8.280 nan 0.000 0.502 241 P HA 0.016 nan 4.420 nan 0.000 0.276 241 P C 1.046 178.295 177.300 -0.085 0.000 1.230 241 P CA -0.173 62.733 63.100 -0.322 0.000 0.776 241 P CB 2.269 33.887 31.700 -0.137 0.000 0.888 242 V N 2.100 121.839 119.914 -0.292 0.000 3.235 242 V HA 0.100 4.223 4.120 0.005 0.000 0.259 242 V C 1.875 177.646 176.094 -0.539 0.000 1.133 242 V CA 1.606 63.734 62.300 -0.286 0.000 1.128 242 V CB -1.204 30.446 31.823 -0.288 0.000 0.757 242 V HN 0.979 nan 8.190 nan 0.000 0.469 243 G N 0.621 109.118 108.800 -0.506 0.000 2.143 243 G HA2 -0.234 3.729 3.960 0.005 0.000 0.249 243 G HA3 -0.234 3.729 3.960 0.005 0.000 0.249 243 G C -0.155 174.419 174.900 -0.544 0.000 0.981 243 G CA 0.334 44.969 45.100 -0.775 0.000 0.665 243 G HN 0.450 nan 8.290 nan 0.000 0.528 244 L N 1.046 122.120 121.223 -0.250 0.000 2.294 244 L HA 0.759 5.101 4.340 0.005 0.000 0.283 244 L C -0.205 176.717 176.870 0.085 0.000 1.015 244 L CA -0.899 53.946 54.840 0.009 0.000 0.831 244 L CB 0.927 43.028 42.059 0.070 0.000 1.217 244 L HN 0.218 nan 8.230 nan 0.000 0.420 245 E N 5.748 126.088 120.200 0.234 0.000 2.199 245 E HA 0.543 4.896 4.350 0.005 0.000 0.269 245 E C -1.375 175.569 176.600 0.573 0.000 0.899 245 E CA -0.776 55.830 56.400 0.343 0.000 0.772 245 E CB 2.464 32.272 29.700 0.181 0.000 1.155 245 E HN 0.531 nan 8.360 nan 0.000 0.408 246 L N 3.045 124.576 121.223 0.514 0.000 2.333 246 L HA 0.424 4.766 4.340 0.005 0.000 0.280 246 L C -0.389 176.528 176.870 0.078 0.000 1.004 246 L CA -0.723 54.304 54.840 0.312 0.000 0.820 246 L CB 1.563 43.708 42.059 0.143 0.000 1.247 246 L HN 0.383 nan 8.230 nan 0.000 0.416 247 L N 4.988 125.970 121.223 -0.402 0.000 2.302 247 L HA 0.333 4.676 4.340 0.005 0.000 0.285 247 L C -0.353 176.338 176.870 -0.298 0.000 1.090 247 L CA -0.329 54.024 54.840 -0.811 0.000 0.866 247 L CB 1.241 42.536 42.059 -1.273 0.000 1.244 247 L HN 0.440 nan 8.230 nan 0.000 0.435 248 V N 4.866 124.724 119.914 -0.094 0.000 2.348 248 V HA 0.233 4.356 4.120 0.005 0.000 0.270 248 V C -0.080 176.033 176.094 0.031 0.000 1.037 248 V CA -0.625 61.679 62.300 0.006 0.000 0.872 248 V CB 1.471 33.322 31.823 0.047 0.000 1.002 248 V HN 0.615 nan 8.190 nan 0.000 0.464 249 D N 5.647 126.029 120.400 -0.030 0.000 2.342 249 D HA 0.119 4.761 4.640 0.005 0.000 0.260 249 D C 0.459 176.702 176.300 -0.095 0.000 1.278 249 D CA 0.182 54.139 54.000 -0.072 0.000 0.910 249 D CB 0.255 41.021 40.800 -0.057 0.000 1.079 249 D HN 0.945 nan 8.370 nan 0.000 0.496 250 H N 1.268 120.092 119.070 -0.409 0.000 2.481 250 H HA 0.282 4.841 4.556 0.005 0.000 0.273 250 H C 1.089 176.123 175.328 -0.490 0.000 1.145 250 H CA -0.659 54.773 56.048 -1.026 0.000 0.964 250 H CB 0.559 29.352 29.762 -1.614 0.000 1.722 250 H HN 0.229 nan 8.280 nan 0.000 0.573 251 K N 1.036 121.286 120.400 -0.251 0.000 2.186 251 K HA 0.202 4.524 4.320 0.005 0.000 0.202 251 K C 0.776 177.471 176.600 0.158 0.000 1.052 251 K CA 0.514 56.746 56.287 -0.091 0.000 0.965 251 K CB 0.052 32.491 32.500 -0.102 0.000 0.746 251 K HN 0.399 nan 8.250 nan 0.000 0.457 252 A N 1.385 124.386 122.820 0.303 0.000 2.511 252 A HA 0.096 4.419 4.320 0.005 0.000 0.242 252 A C 0.760 178.587 177.584 0.406 0.000 1.069 252 A CA -0.245 51.987 52.037 0.324 0.000 0.763 252 A CB 0.267 19.443 19.000 0.292 0.000 1.001 252 A HN 0.302 nan 8.150 nan 0.000 0.498 253 L N 1.049 122.421 121.223 0.248 0.000 2.362 253 L HA 0.008 4.351 4.340 0.005 0.000 0.219 253 L C 0.742 177.674 176.870 0.104 0.000 1.134 253 L CA 1.446 56.420 54.840 0.224 0.000 0.807 253 L CB -0.742 41.414 42.059 0.161 0.000 0.927 253 L HN 0.774 nan 8.230 nan 0.000 0.447 254 D N -0.978 119.430 120.400 0.013 0.000 2.412 254 D HA 0.196 4.839 4.640 0.005 0.000 0.224 254 D C -1.771 174.278 176.300 -0.419 0.000 1.093 254 D CA -2.329 51.589 54.000 -0.138 0.000 0.850 254 D CB 1.589 42.341 40.800 -0.079 0.000 1.046 254 D HN -0.130 nan 8.370 nan 0.000 0.507 255 P HA -0.123 nan 4.420 nan 0.000 0.218 255 P C 0.893 177.693 177.300 -0.833 0.000 1.146 255 P CA 0.997 63.084 63.100 -1.689 0.000 0.813 255 P CB 0.186 31.080 31.700 -1.344 0.000 0.778 256 A N -0.592 121.979 122.820 -0.415 0.000 2.172 256 A HA -0.148 4.175 4.320 0.005 0.000 0.216 256 A C 1.404 178.924 177.584 -0.107 0.000 1.154 256 A CA 1.579 53.500 52.037 -0.194 0.000 0.701 256 A CB -0.906 18.019 19.000 -0.126 0.000 0.789 256 A HN 0.099 nan 8.150 nan 0.000 0.465 257 D N -1.892 118.435 120.400 -0.121 0.000 2.379 257 D HA 0.056 4.699 4.640 0.005 0.000 0.208 257 D C -0.087 176.317 176.300 0.173 0.000 1.065 257 D CA -0.224 53.789 54.000 0.021 0.000 0.848 257 D CB -0.079 40.741 40.800 0.033 0.000 0.949 257 D HN 0.456 nan 8.370 nan 0.000 0.509 258 W N 2.561 123.883 121.300 0.037 0.000 2.193 258 W HA 0.266 4.929 4.660 0.005 0.000 0.338 258 W C 1.069 177.602 176.519 0.023 0.000 1.310 258 W CA -0.450 56.922 57.345 0.045 0.000 1.243 258 W CB -0.233 29.268 29.460 0.069 0.000 1.165 258 W HN -0.217 nan 8.180 nan 0.000 0.566 259 T N -1.285 113.408 114.554 0.231 0.000 2.883 259 T HA 0.615 4.968 4.350 0.005 0.000 0.296 259 T C -0.692 174.045 174.700 0.062 0.000 1.117 259 T CA -1.079 61.090 62.100 0.116 0.000 1.006 259 T CB 1.618 70.529 68.868 0.071 0.000 1.191 259 T HN 0.415 nan 8.240 nan 0.000 0.508 260 V N 0.897 120.830 119.914 0.031 0.000 2.364 260 V HA 0.473 4.596 4.120 0.005 0.000 0.272 260 V C 0.587 176.669 176.094 -0.020 0.000 1.036 260 V CA -0.491 61.805 62.300 -0.007 0.000 0.880 260 V CB 1.096 32.919 31.823 0.000 0.000 0.991 260 V HN 0.846 nan 8.190 nan 0.000 0.460 261 Q N 2.780 122.538 119.800 -0.069 0.000 2.408 261 Q HA 0.296 4.639 4.340 0.005 0.000 0.205 261 Q C 0.395 176.377 176.000 -0.031 0.000 0.919 261 Q CA 0.612 56.379 55.803 -0.061 0.000 0.932 261 Q CB 0.525 29.202 28.738 -0.101 0.000 1.058 261 Q HN 0.948 nan 8.270 nan 0.000 0.517 262 K N -0.647 119.737 120.400 -0.026 0.000 2.653 262 K HA 0.274 4.597 4.320 0.005 0.000 0.274 262 K C -1.607 175.137 176.600 0.241 0.000 0.974 262 K CA -0.467 55.894 56.287 0.123 0.000 0.868 262 K CB 1.457 34.068 32.500 0.184 0.000 1.408 262 K HN -0.093 nan 8.250 nan 0.000 0.397 263 V N 0.591 120.734 119.914 0.382 0.000 2.628 263 V HA 0.763 4.886 4.120 0.005 0.000 0.306 263 V C -1.159 175.267 176.094 0.554 0.000 1.045 263 V CA -0.686 61.880 62.300 0.442 0.000 0.905 263 V CB 1.400 33.369 31.823 0.242 0.000 0.997 263 V HN 0.698 nan 8.190 nan 0.000 0.436 264 F N 5.762 125.892 119.950 0.301 0.000 2.427 264 F HA 0.743 5.273 4.527 0.005 0.000 0.348 264 F C -1.230 174.551 175.800 -0.032 0.000 1.125 264 F CA -1.346 56.595 58.000 -0.097 0.000 0.989 264 F CB 1.510 40.232 39.000 -0.464 0.000 1.165 264 F HN 0.659 nan 8.300 nan 0.000 0.442 265 F N 6.530 126.019 119.950 -0.769 0.000 2.445 265 F HA 0.297 4.827 4.527 0.005 0.000 0.348 265 F C 0.150 175.355 175.800 -0.992 0.000 1.125 265 F CA -0.450 57.131 58.000 -0.697 0.000 0.983 265 F CB 1.010 39.788 39.000 -0.370 0.000 1.198 265 F HN 0.677 nan 8.300 nan 0.000 0.436 266 Q N 4.534 123.350 119.800 -1.640 0.000 2.416 266 Q HA -0.268 4.074 4.340 0.005 0.000 0.319 266 Q C 0.924 176.256 176.000 -1.112 0.000 1.318 266 Q CA 1.069 56.013 55.803 -1.430 0.000 0.915 266 Q CB -1.462 26.341 28.738 -1.558 0.000 1.184 266 Q HN 1.253 nan 8.270 nan 0.000 0.444 267 G N -0.215 107.582 108.800 -1.673 0.000 2.799 267 G HA2 -0.238 3.725 3.960 0.005 0.000 0.200 267 G HA3 -0.238 3.725 3.960 0.005 0.000 0.200 267 G C -0.035 174.230 174.900 -1.059 0.000 1.206 267 G CA -0.185 43.894 45.100 -1.701 0.000 0.827 267 G HN 0.406 nan 8.290 nan 0.000 0.511 268 R N -0.048 119.919 120.500 -0.888 0.000 2.828 268 R HA 0.753 5.096 4.340 0.005 0.000 0.264 268 R C -0.930 174.935 176.300 -0.725 0.000 1.022 268 R CA -0.874 54.864 56.100 -0.603 0.000 1.021 268 R CB 1.192 31.253 30.300 -0.399 0.000 1.163 268 R HN 0.236 nan 8.270 nan 0.000 0.494 269 Y N -0.034 120.042 120.300 -0.373 0.000 2.419 269 Y HA 0.420 4.973 4.550 0.005 0.000 0.328 269 Y C -0.535 175.076 175.900 -0.483 0.000 1.162 269 Y CA -0.370 57.622 58.100 -0.180 0.000 1.174 269 Y CB 1.355 39.836 38.460 0.035 0.000 1.228 269 Y HN 0.427 nan 8.280 nan 0.000 0.473 270 Y N -0.483 119.945 120.300 0.212 0.000 2.553 270 Y HA 0.275 4.828 4.550 0.005 0.000 0.347 270 Y C 0.853 176.828 175.900 0.124 0.000 1.019 270 Y CA -1.201 56.969 58.100 0.116 0.000 1.032 270 Y CB 1.489 39.970 38.460 0.035 0.000 1.284 270 Y HN 0.502 nan 8.280 nan 0.000 0.466 271 E N 1.288 121.623 120.200 0.225 0.000 2.106 271 E HA -0.096 4.257 4.350 0.005 0.000 0.192 271 E C -0.347 176.324 176.600 0.119 0.000 0.984 271 E CA 1.213 57.697 56.400 0.140 0.000 0.806 271 E CB -0.217 29.538 29.700 0.091 0.000 0.750 271 E HN 0.826 nan 8.360 nan 0.000 0.458 272 N N -2.448 116.322 118.700 0.116 0.000 3.116 272 N HA 0.152 4.895 4.740 0.005 0.000 0.244 272 N C 0.103 175.615 175.510 0.003 0.000 1.485 272 N CA -0.592 52.491 53.050 0.056 0.000 0.884 272 N CB 0.382 38.887 38.487 0.030 0.000 1.415 272 N HN -0.210 nan 8.380 nan 0.000 0.524 273 L N -0.569 120.627 121.223 -0.045 0.000 2.201 273 L HA 0.045 4.387 4.340 0.005 0.000 0.212 273 L C 2.244 179.032 176.870 -0.137 0.000 1.105 273 L CA 1.516 56.279 54.840 -0.129 0.000 0.775 273 L CB -0.570 41.410 42.059 -0.130 0.000 0.913 273 L HN 0.856 nan 8.230 nan 0.000 0.440 274 A N -0.545 122.231 122.820 -0.074 0.000 1.969 274 A HA -0.239 4.084 4.320 0.005 0.000 0.218 274 A C 2.276 179.825 177.584 -0.059 0.000 1.169 274 A CA 1.428 53.430 52.037 -0.058 0.000 0.635 274 A CB -0.393 18.592 19.000 -0.026 0.000 0.810 274 A HN 0.464 nan 8.150 nan 0.000 0.445 275 Q N -0.758 119.017 119.800 -0.041 0.000 2.079 275 Q HA -0.151 4.192 4.340 0.005 0.000 0.200 275 Q C 1.997 177.938 176.000 -0.098 0.000 0.974 275 Q CA 1.590 57.386 55.803 -0.010 0.000 0.840 275 Q CB -0.202 28.583 28.738 0.078 0.000 0.898 275 Q HN 0.559 nan 8.270 nan 0.000 0.430 276 L N 1.169 122.221 121.223 -0.285 0.000 2.046 276 L HA -0.158 4.184 4.340 0.005 0.000 0.208 276 L C 2.156 178.799 176.870 -0.379 0.000 1.077 276 L CA 2.229 56.686 54.840 -0.639 0.000 0.747 276 L CB -0.545 40.986 42.059 -0.880 0.000 0.896 276 L HN 0.197 nan 8.230 nan 0.000 0.432 277 E N 0.204 120.254 120.200 -0.249 0.000 2.077 277 E HA -0.254 4.098 4.350 0.005 0.000 0.193 277 E C 2.066 178.661 176.600 -0.008 0.000 0.989 277 E CA 1.841 58.167 56.400 -0.123 0.000 0.800 277 E CB -0.250 29.390 29.700 -0.099 0.000 0.746 277 E HN 0.787 nan 8.360 nan 0.000 0.452 278 E N -0.027 120.153 120.200 -0.033 0.000 2.107 278 E HA -0.207 4.146 4.350 0.005 0.000 0.191 278 E C 2.132 178.724 176.600 -0.014 0.000 0.982 278 E CA 0.850 57.241 56.400 -0.014 0.000 0.809 278 E CB -0.441 29.251 29.700 -0.013 0.000 0.756 278 E HN 0.342 nan 8.360 nan 0.000 0.459 279 Q N -0.022 119.772 119.800 -0.010 0.000 2.124 279 Q HA -0.149 4.194 4.340 0.005 0.000 0.202 279 Q C 2.004 178.008 176.000 0.007 0.000 0.977 279 Q CA 1.448 57.257 55.803 0.011 0.000 0.850 279 Q CB -0.265 28.510 28.738 0.062 0.000 0.901 279 Q HN 0.313 nan 8.270 nan 0.000 0.429 280 F N 2.292 122.151 119.950 -0.152 0.000 2.075 280 F HA -0.177 4.353 4.527 0.005 0.000 0.297 280 F C 2.072 177.805 175.800 -0.112 0.000 1.113 280 F CA 1.392 59.294 58.000 -0.164 0.000 1.218 280 F CB -0.071 38.785 39.000 -0.241 0.000 0.984 280 F HN -0.044 nan 8.300 nan 0.000 0.472 281 E N 0.656 120.742 120.200 -0.191 0.000 2.118 281 E HA -0.199 4.154 4.350 0.005 0.000 0.195 281 E C 2.084 178.549 176.600 -0.225 0.000 0.992 281 E CA 1.252 57.506 56.400 -0.245 0.000 0.804 281 E CB -0.882 28.774 29.700 -0.072 0.000 0.741 281 E HN 0.470 nan 8.360 nan 0.000 0.458 282 A N 0.495 123.228 122.820 -0.145 0.000 2.276 282 A HA 0.291 4.614 4.320 0.005 0.000 0.212 282 A C 1.477 178.989 177.584 -0.120 0.000 1.230 282 A CA 0.733 52.708 52.037 -0.104 0.000 0.844 282 A CB -0.616 18.352 19.000 -0.053 0.000 0.860 282 A HN 0.242 nan 8.150 nan 0.000 0.486 283 G N -0.571 108.106 108.800 -0.206 0.000 2.305 283 G HA2 -0.312 3.651 3.960 0.005 0.000 0.287 283 G HA3 -0.312 3.651 3.960 0.005 0.000 0.287 283 G C 0.437 175.284 174.900 -0.088 0.000 1.036 283 G CA 0.747 45.737 45.100 -0.184 0.000 0.887 283 G HN 0.657 nan 8.290 nan 0.000 0.505 284 Q N -1.641 118.126 119.800 -0.055 0.000 2.247 284 Q HA 0.338 4.681 4.340 0.005 0.000 0.211 284 Q C 0.373 176.404 176.000 0.051 0.000 0.861 284 Q CA 0.215 56.022 55.803 0.006 0.000 0.949 284 Q CB 1.422 30.174 28.738 0.023 0.000 1.115 284 Q HN 0.422 nan 8.270 nan 0.000 0.507 285 V N 1.461 121.412 119.914 0.062 0.000 2.483 285 V HA 0.206 4.329 4.120 0.005 0.000 0.297 285 V C -0.406 175.762 176.094 0.122 0.000 1.027 285 V CA -0.959 61.417 62.300 0.128 0.000 0.855 285 V CB 1.729 33.648 31.823 0.160 0.000 0.995 285 V HN 0.202 nan 8.190 nan 0.000 0.424 286 N N 3.137 121.897 118.700 0.099 0.000 2.411 286 N HA 0.341 5.083 4.740 0.005 0.000 0.259 286 N C -0.970 174.595 175.510 0.091 0.000 1.103 286 N CA -0.148 52.950 53.050 0.079 0.000 0.954 286 N CB 1.494 40.017 38.487 0.060 0.000 1.085 286 N HN 0.446 nan 8.380 nan 0.000 0.485 287 V N 4.248 124.214 119.914 0.087 0.000 2.347 287 V HA 0.205 4.328 4.120 0.005 0.000 0.280 287 V C 0.310 176.454 176.094 0.083 0.000 1.021 287 V CA -0.800 61.554 62.300 0.090 0.000 0.847 287 V CB 1.558 33.394 31.823 0.021 0.000 0.990 287 V HN 0.304 nan 8.190 nan 0.000 0.444 288 V N 6.066 125.987 119.914 0.011 0.000 2.427 288 V HA 0.178 4.301 4.120 0.005 0.000 0.268 288 V C 0.408 176.498 176.094 -0.007 0.000 1.046 288 V CA -0.208 62.094 62.300 0.002 0.000 0.970 288 V CB 1.570 33.409 31.823 0.027 0.000 1.001 288 V HN 0.670 nan 8.190 nan 0.000 0.476 289 V N 8.046 127.987 119.914 0.045 0.000 2.521 289 V HA 0.355 4.478 4.120 0.005 0.000 0.286 289 V C -0.033 176.094 176.094 0.054 0.000 1.034 289 V CA 0.213 62.564 62.300 0.085 0.000 1.045 289 V CB 0.693 32.588 31.823 0.120 0.000 0.974 289 V HN 0.702 nan 8.190 nan 0.000 0.480 290 I N 9.583 130.225 120.570 0.120 0.000 2.355 290 I HA 0.464 4.637 4.170 0.005 0.000 0.288 290 I C -2.257 174.055 176.117 0.325 0.000 0.999 290 I CA -1.785 59.651 61.300 0.226 0.000 1.163 290 I CB 1.831 39.964 38.000 0.221 0.000 1.316 290 I HN 0.549 nan 8.210 nan 0.000 0.454 291 P HA 0.620 nan 4.420 nan 0.000 0.292 291 P C -1.144 176.073 177.300 -0.137 0.000 1.283 291 P CA -0.260 62.895 63.100 0.093 0.000 0.835 291 P CB 1.896 33.654 31.700 0.096 0.000 1.017 322 F N -0.942 119.025 119.950 0.030 0.000 2.654 322 F HA 0.720 5.249 4.527 0.004 0.000 0.308 322 F C -1.099 174.702 175.800 0.002 0.000 1.108 322 F CA -1.047 56.959 58.000 0.010 0.000 0.957 322 F CB 1.558 40.561 39.000 0.004 0.000 1.309 322 F HN -0.109 nan 8.300 nan 0.000 0.446 323 S N 2.269 118.034 115.700 0.109 0.000 2.756 323 S HA 0.619 5.092 4.470 0.005 0.000 0.303 323 S C -1.508 173.154 174.600 0.104 0.000 1.135 323 S CA -0.719 57.489 58.200 0.013 0.000 1.066 323 S CB 1.105 64.300 63.200 -0.009 0.000 1.008 323 S HN 1.032 nan 8.310 nan 0.000 0.482 324 V N 3.963 123.958 119.914 0.135 0.000 2.461 324 V HA 0.468 4.591 4.120 0.005 0.000 0.275 324 V C -0.665 175.500 176.094 0.118 0.000 1.047 324 V CA 0.218 62.614 62.300 0.161 0.000 0.955 324 V CB 1.132 33.092 31.823 0.228 0.000 0.988 324 V HN 1.004 nan 8.190 nan 0.000 0.471 325 Q N 5.115 124.973 119.800 0.097 0.000 2.444 325 Q HA 0.516 4.859 4.340 0.005 0.000 0.251 325 Q C 0.359 176.385 176.000 0.043 0.000 0.939 325 Q CA 0.058 55.901 55.803 0.067 0.000 0.740 325 Q CB 1.814 30.574 28.738 0.036 0.000 1.308 325 Q HN 1.160 nan 8.270 nan 0.000 0.461 326 G N 3.424 112.257 108.800 0.055 0.000 2.523 326 G HA2 -0.351 3.612 3.960 0.005 0.000 0.271 326 G HA3 -0.351 3.612 3.960 0.005 0.000 0.271 326 G C 0.256 175.100 174.900 -0.093 0.000 1.146 326 G CA 0.355 45.455 45.100 0.000 0.000 0.961 326 G HN 0.733 nan 8.290 nan 0.000 0.549 327 N N 0.839 119.386 118.700 -0.256 0.000 2.235 327 N HA 0.203 4.946 4.740 0.005 0.000 0.209 327 N C 0.656 175.817 175.510 -0.582 0.000 1.122 327 N CA 0.687 53.307 53.050 -0.716 0.000 0.845 327 N CB 0.594 38.767 38.487 -0.524 0.000 1.004 327 N HN 0.816 nan 8.380 nan 0.000 0.499 328 R N 0.518 120.915 120.500 -0.171 0.000 2.393 328 R HA 0.469 4.812 4.340 0.005 0.000 0.315 328 R C -1.609 174.650 176.300 -0.070 0.000 0.952 328 R CA -0.542 55.495 56.100 -0.105 0.000 0.842 328 R CB 1.145 31.401 30.300 -0.073 0.000 1.163 328 R HN -0.146 nan 8.270 nan 0.000 0.450 329 V N 3.647 123.372 119.914 -0.315 0.000 2.439 329 V HA 0.793 4.916 4.120 0.005 0.000 0.282 329 V C -0.256 175.594 176.094 -0.408 0.000 1.039 329 V CA -0.387 61.657 62.300 -0.426 0.000 0.913 329 V CB 1.412 32.686 31.823 -0.914 0.000 0.983 329 V HN 0.935 nan 8.190 nan 0.000 0.460 330 A N 3.831 126.572 122.820 -0.131 0.000 2.385 330 A HA 0.797 5.120 4.320 0.005 0.000 0.290 330 A C -0.046 177.577 177.584 0.065 0.000 1.094 330 A CA -0.232 51.776 52.037 -0.049 0.000 0.729 330 A CB 1.570 20.555 19.000 -0.024 0.000 1.194 330 A HN 0.936 nan 8.150 nan 0.000 0.442 331 S N 0.933 116.689 115.700 0.094 0.000 2.713 331 S HA 0.584 5.057 4.470 0.005 0.000 0.296 331 S C 1.310 175.964 174.600 0.090 0.000 1.114 331 S CA 0.293 58.586 58.200 0.154 0.000 0.997 331 S CB 0.734 64.068 63.200 0.222 0.000 1.249 331 S HN 1.497 nan 8.310 nan 0.000 0.534 332 S N -0.172 115.579 115.700 0.085 0.000 2.453 332 S HA 0.112 4.585 4.470 0.005 0.000 0.231 332 S C 1.376 175.942 174.600 -0.056 0.000 1.005 332 S CA 0.578 58.789 58.200 0.018 0.000 0.949 332 S CB -0.788 62.428 63.200 0.027 0.000 0.774 332 S HN 0.614 nan 8.310 nan 0.000 0.510 333 L N -2.342 118.854 121.223 -0.044 0.000 2.685 333 L HA 0.490 4.833 4.340 0.005 0.000 0.235 333 L C 0.105 176.765 176.870 -0.351 0.000 1.070 333 L CA -0.278 54.388 54.840 -0.291 0.000 0.888 333 L CB 0.229 42.158 42.059 -0.217 0.000 1.203 333 L HN 0.252 nan 8.230 nan 0.000 0.499 334 W N -0.427 120.924 121.300 0.086 0.000 2.689 334 W HA 0.579 5.242 4.660 0.004 0.000 0.340 334 W C -0.318 176.188 176.519 -0.022 0.000 1.060 334 W CA -0.425 56.981 57.345 0.101 0.000 1.218 334 W CB 1.957 31.465 29.460 0.081 0.000 1.410 334 W HN -0.406 nan 8.180 nan 0.000 0.528 335 T N 3.396 118.132 114.554 0.304 0.000 3.109 335 T HA 0.555 4.907 4.350 0.005 0.000 0.311 335 T C -1.534 173.254 174.700 0.146 0.000 1.011 335 T CA -0.555 61.592 62.100 0.077 0.000 1.026 335 T CB 0.425 69.330 68.868 0.062 0.000 1.047 335 T HN 0.254 nan 8.240 nan 0.000 0.448 336 F N -0.258 119.650 119.950 -0.070 0.000 2.665 336 F HA 0.777 5.307 4.527 0.004 0.000 0.308 336 F C -0.668 175.086 175.800 -0.076 0.000 1.112 336 F CA -1.078 56.856 58.000 -0.110 0.000 0.972 336 F CB 1.022 39.867 39.000 -0.259 0.000 1.295 336 F HN 0.284 nan 8.300 nan 0.000 0.440 337 S N 2.942 118.721 115.700 0.132 0.000 2.457 337 S HA 0.641 5.113 4.470 0.005 0.000 0.289 337 S C -0.678 173.996 174.600 0.123 0.000 1.163 337 S CA -0.634 57.597 58.200 0.052 0.000 1.078 337 S CB 0.327 63.590 63.200 0.106 0.000 0.987 337 S HN 0.592 nan 8.310 nan 0.000 0.482 338 F N 0.820 120.740 119.950 -0.050 0.000 2.518 338 F HA 1.028 5.558 4.527 0.005 0.000 0.338 338 F C 0.543 176.293 175.800 -0.082 0.000 1.065 338 F CA -0.725 57.165 58.000 -0.183 0.000 1.012 338 F CB 0.681 39.323 39.000 -0.598 0.000 1.297 338 F HN 0.691 nan 8.300 nan 0.000 0.489 339 G N 0.029 108.922 108.800 0.155 0.000 2.489 339 G HA2 0.523 4.486 3.960 0.005 0.000 0.305 339 G HA3 0.523 4.486 3.960 0.005 0.000 0.305 339 G C -2.751 172.364 174.900 0.358 0.000 1.311 339 G CA -0.844 44.356 45.100 0.166 0.000 0.813 339 G HN 0.922 nan 8.290 nan 0.000 0.480 340 L N 0.824 122.247 121.223 0.333 0.000 2.541 340 L HA 0.700 5.043 4.340 0.005 0.000 0.266 340 L C 0.360 177.301 176.870 0.119 0.000 0.966 340 L CA -0.014 54.879 54.840 0.089 0.000 0.871 340 L CB 1.424 43.205 42.059 -0.463 0.000 1.232 340 L HN 1.107 nan 8.230 nan 0.000 0.408 341 G N 2.970 111.822 108.800 0.087 0.000 2.354 341 G HA2 0.430 4.393 3.960 0.005 0.000 0.266 341 G HA3 0.430 4.393 3.960 0.005 0.000 0.266 341 G C 0.928 175.864 174.900 0.060 0.000 1.242 341 G CA 0.081 45.270 45.100 0.148 0.000 0.923 341 G HN 1.079 nan 8.290 nan 0.000 0.476 342 A N 2.560 125.452 122.820 0.120 0.000 2.032 342 A HA 0.010 4.333 4.320 0.005 0.000 0.221 342 A C 1.578 178.941 177.584 -0.368 0.000 1.165 342 A CA 1.444 53.425 52.037 -0.093 0.000 0.645 342 A CB -0.219 18.585 19.000 -0.327 0.000 0.807 342 A HN 0.626 nan 8.150 nan 0.000 0.453 343 F N -1.240 118.818 119.950 0.181 0.000 2.577 343 F HA 0.074 4.603 4.527 0.004 0.000 0.276 343 F C 2.555 178.405 175.800 0.083 0.000 1.032 343 F CA 0.742 58.840 58.000 0.165 0.000 1.297 343 F CB -0.333 38.755 39.000 0.146 0.000 1.061 343 F HN 0.178 nan 8.300 nan 0.000 0.680 344 S N -0.538 115.284 115.700 0.204 0.000 2.501 344 S HA 0.496 4.969 4.470 0.005 0.000 0.220 344 S C 1.306 175.821 174.600 -0.142 0.000 0.997 344 S CA 0.448 58.671 58.200 0.038 0.000 0.919 344 S CB -0.358 62.880 63.200 0.063 0.000 0.778 344 S HN 0.644 nan 8.310 nan 0.000 0.523 345 G N 1.879 110.596 108.800 -0.137 0.000 2.545 345 G HA2 -0.092 3.871 3.960 0.005 0.000 0.216 345 G HA3 -0.092 3.871 3.960 0.005 0.000 0.216 345 G C -3.158 171.593 174.900 -0.249 0.000 1.314 345 G CA -0.592 44.325 45.100 -0.305 0.000 0.906 345 G HN 0.387 nan 8.290 nan 0.000 0.563 346 P HA 0.302 nan 4.420 nan 0.000 0.265 346 P C -0.209 177.091 177.300 0.001 0.000 1.193 346 P CA 0.549 63.615 63.100 -0.056 0.000 0.765 346 P CB 0.812 32.444 31.700 -0.114 0.000 0.823 347 R N 1.327 121.906 120.500 0.132 0.000 2.764 347 R HA 0.735 5.078 4.340 0.005 0.000 0.270 347 R C -2.246 174.024 176.300 -0.050 0.000 1.014 347 R CA -1.056 55.029 56.100 -0.025 0.000 0.904 347 R CB 1.031 31.276 30.300 -0.091 0.000 1.236 347 R HN 0.243 nan 8.270 nan 0.000 0.466 348 V N 1.904 121.619 119.914 -0.332 0.000 2.888 348 V HA 0.611 4.734 4.120 0.005 0.000 0.309 348 V C -1.348 174.362 176.094 -0.640 0.000 1.114 348 V CA -0.579 61.533 62.300 -0.314 0.000 0.940 348 V CB 2.107 33.763 31.823 -0.278 0.000 1.021 348 V HN 0.679 nan 8.190 nan 0.000 0.426 349 F N 1.490 121.243 119.950 -0.329 0.000 2.577 349 F HA 0.526 5.056 4.527 0.005 0.000 0.318 349 F C 0.450 175.960 175.800 -0.483 0.000 1.065 349 F CA -0.478 57.104 58.000 -0.697 0.000 0.929 349 F CB 1.675 39.776 39.000 -1.498 0.000 1.237 349 F HN 0.645 nan 8.300 nan 0.000 0.468 350 D N 1.375 121.595 120.400 -0.300 0.000 2.697 350 D HA -0.159 4.484 4.640 0.005 0.000 0.238 350 D C -0.947 175.399 176.300 0.078 0.000 1.152 350 D CA 0.247 54.221 54.000 -0.043 0.000 0.666 350 D CB -0.708 40.134 40.800 0.070 0.000 1.037 350 D HN 0.162 nan 8.370 nan 0.000 0.423 351 V N 2.529 122.490 119.914 0.079 0.000 2.403 351 V HA 0.154 4.277 4.120 0.005 0.000 0.265 351 V C 1.285 177.540 176.094 0.268 0.000 1.034 351 V CA 0.432 62.852 62.300 0.200 0.000 1.036 351 V CB 0.460 32.380 31.823 0.163 0.000 1.032 351 V HN 0.156 nan 8.190 nan 0.000 0.478 352 R N 4.416 125.109 120.500 0.322 0.000 2.494 352 R HA 0.503 4.846 4.340 0.005 0.000 0.305 352 R C -1.140 175.330 176.300 0.283 0.000 0.959 352 R CA -0.623 55.634 56.100 0.262 0.000 0.864 352 R CB 2.193 32.591 30.300 0.164 0.000 1.159 352 R HN 0.586 nan 8.270 nan 0.000 0.446 353 F N 2.998 122.933 119.950 -0.024 0.000 2.375 353 F HA 0.153 4.683 4.527 0.005 0.000 0.361 353 F C 0.284 176.007 175.800 -0.128 0.000 1.117 353 F CA -0.318 57.464 58.000 -0.364 0.000 1.037 353 F CB 0.828 39.505 39.000 -0.537 0.000 1.192 353 F HN 0.664 nan 8.300 nan 0.000 0.452 354 Q N 4.307 123.691 119.800 -0.693 0.000 2.481 354 Q HA -0.237 4.106 4.340 0.005 0.000 0.272 354 Q C 1.057 176.949 176.000 -0.179 0.000 1.157 354 Q CA 1.032 56.535 55.803 -0.499 0.000 0.935 354 Q CB -1.593 26.755 28.738 -0.651 0.000 1.338 354 Q HN 1.379 nan 8.270 nan 0.000 0.494 355 G N -0.068 108.681 108.800 -0.085 0.000 2.213 355 G HA2 -0.320 3.643 3.960 0.005 0.000 0.236 355 G HA3 -0.320 3.643 3.960 0.005 0.000 0.236 355 G C -0.171 174.763 174.900 0.057 0.000 0.991 355 G CA 0.250 45.347 45.100 -0.006 0.000 0.629 355 G HN 0.390 nan 8.290 nan 0.000 0.517 356 E N 0.705 120.968 120.200 0.105 0.000 2.134 356 E HA 0.513 4.865 4.350 0.005 0.000 0.278 356 E C 0.546 177.271 176.600 0.208 0.000 0.959 356 E CA -0.946 55.561 56.400 0.179 0.000 0.783 356 E CB 0.548 30.407 29.700 0.266 0.000 1.095 356 E HN 0.336 nan 8.360 nan 0.000 0.399 357 R N 5.095 125.701 120.500 0.176 0.000 2.421 357 R HA 0.049 4.391 4.340 0.005 0.000 0.305 357 R C 0.557 176.934 176.300 0.128 0.000 1.039 357 R CA 0.084 56.282 56.100 0.163 0.000 1.003 357 R CB 0.395 30.790 30.300 0.159 0.000 0.959 357 R HN 0.721 nan 8.270 nan 0.000 0.427 358 L N 3.193 124.454 121.223 0.065 0.000 2.253 358 L HA 0.277 4.619 4.340 0.005 0.000 0.205 358 L C 0.696 177.509 176.870 -0.096 0.000 1.078 358 L CA 0.440 55.189 54.840 -0.151 0.000 0.805 358 L CB 0.065 41.943 42.059 -0.303 0.000 0.963 358 L HN 0.662 nan 8.230 nan 0.000 0.459 359 A N -2.310 120.511 122.820 0.003 0.000 2.549 359 A HA 0.339 4.662 4.320 0.005 0.000 0.297 359 A C -0.494 177.133 177.584 0.071 0.000 1.061 359 A CA -0.559 51.489 52.037 0.018 0.000 0.690 359 A CB 0.776 19.752 19.000 -0.040 0.000 1.287 359 A HN 0.155 nan 8.150 nan 0.000 0.402 360 Y N 1.090 121.382 120.300 -0.012 0.000 2.286 360 Y HA 0.204 4.757 4.550 0.004 0.000 0.293 360 Y C 0.688 176.558 175.900 -0.050 0.000 1.124 360 Y CA 2.195 60.308 58.100 0.022 0.000 1.178 360 Y CB 0.370 38.873 38.460 0.072 0.000 1.010 360 Y HN 0.712 nan 8.280 nan 0.000 0.536 361 E N 0.218 120.323 120.200 -0.159 0.000 2.343 361 E HA 0.348 4.701 4.350 0.005 0.000 0.286 361 E C -1.909 174.481 176.600 -0.350 0.000 0.915 361 E CA -0.507 55.602 56.400 -0.483 0.000 0.784 361 E CB 1.132 30.594 29.700 -0.396 0.000 1.251 361 E HN 0.188 nan 8.360 nan 0.000 0.407 362 I N 3.924 124.244 120.570 -0.417 0.000 2.420 362 I HA 0.310 4.483 4.170 0.005 0.000 0.282 362 I C -0.618 175.353 176.117 -0.242 0.000 1.019 362 I CA -0.507 60.642 61.300 -0.252 0.000 1.130 362 I CB 1.553 39.439 38.000 -0.189 0.000 1.262 362 I HN 0.477 nan 8.210 nan 0.000 0.454 363 S N 5.799 121.404 115.700 -0.159 0.000 2.569 363 S HA 0.650 5.122 4.470 0.005 0.000 0.280 363 S C -0.926 173.646 174.600 -0.047 0.000 1.111 363 S CA -0.889 57.238 58.200 -0.122 0.000 0.887 363 S CB 2.308 65.398 63.200 -0.184 0.000 1.095 363 S HN 0.426 nan 8.310 nan 0.000 0.476 364 L N 2.322 123.448 121.223 -0.161 0.000 2.367 364 L HA 0.417 4.760 4.340 0.005 0.000 0.275 364 L C 1.061 177.724 176.870 -0.344 0.000 1.129 364 L CA 0.484 55.044 54.840 -0.466 0.000 0.839 364 L CB 0.446 42.065 42.059 -0.733 0.000 1.133 364 L HN 0.805 nan 8.230 nan 0.000 0.453 365 Q N 2.421 121.995 119.800 -0.376 0.000 2.287 365 Q HA 0.221 4.564 4.340 0.005 0.000 0.201 365 Q C -0.139 175.706 176.000 -0.258 0.000 0.946 365 Q CA 0.598 56.286 55.803 -0.192 0.000 0.868 365 Q CB 0.420 29.130 28.738 -0.047 0.000 0.967 365 Q HN 0.725 nan 8.270 nan 0.000 0.516 366 E N -1.206 118.724 120.200 -0.449 0.000 2.380 366 E HA 0.590 4.943 4.350 0.005 0.000 0.281 366 E C -2.041 174.339 176.600 -0.366 0.000 0.999 366 E CA -0.340 55.842 56.400 -0.363 0.000 0.800 366 E CB 1.702 31.159 29.700 -0.407 0.000 1.228 366 E HN 0.081 nan 8.360 nan 0.000 0.436 367 A N 2.233 125.004 122.820 -0.081 0.000 2.318 367 A HA 0.847 5.170 4.320 0.005 0.000 0.317 367 A C -0.077 177.667 177.584 0.267 0.000 1.159 367 A CA 0.003 52.071 52.037 0.052 0.000 0.799 367 A CB 1.262 20.269 19.000 0.011 0.000 1.194 367 A HN 0.572 nan 8.150 nan 0.000 0.479 368 G N 0.077 109.102 108.800 0.376 0.000 2.511 368 G HA2 0.828 4.791 3.960 0.005 0.000 0.318 368 G HA3 0.828 4.791 3.960 0.005 0.000 0.318 368 G C -0.673 174.347 174.900 0.201 0.000 1.210 368 G CA -0.177 45.096 45.100 0.288 0.000 0.969 368 G HN 1.807 nan 8.290 nan 0.000 0.484 369 A N 0.012 122.885 122.820 0.089 0.000 2.465 369 A HA 0.638 4.961 4.320 0.005 0.000 0.292 369 A C -1.344 176.177 177.584 -0.105 0.000 1.041 369 A CA -0.394 51.667 52.037 0.039 0.000 0.718 369 A CB 1.758 20.934 19.000 0.294 0.000 1.266 369 A HN 1.138 nan 8.150 nan 0.000 0.403 370 V N 3.213 122.994 119.914 -0.222 0.000 2.409 370 V HA 0.496 4.619 4.120 0.005 0.000 0.291 370 V C -0.906 175.061 176.094 -0.213 0.000 1.020 370 V CA -0.353 61.832 62.300 -0.191 0.000 0.848 370 V CB 1.028 32.737 31.823 -0.190 0.000 0.990 370 V HN 0.827 nan 8.190 nan 0.000 0.430 371 Y N 2.035 122.246 120.300 -0.148 0.000 2.568 371 Y HA 0.842 5.395 4.550 0.005 0.000 0.327 371 Y C 0.795 176.646 175.900 -0.081 0.000 1.163 371 Y CA -0.294 57.743 58.100 -0.104 0.000 1.219 371 Y CB 2.187 40.551 38.460 -0.160 0.000 1.308 371 Y HN 0.702 nan 8.280 nan 0.000 0.503 372 G N -0.882 107.997 108.800 0.131 0.000 2.659 372 G HA2 0.631 4.594 3.960 0.005 0.000 0.296 372 G HA3 0.631 4.594 3.960 0.005 0.000 0.296 372 G C -1.032 173.891 174.900 0.038 0.000 1.369 372 G CA -0.358 44.793 45.100 0.085 0.000 0.937 372 G HN 0.952 nan 8.290 nan 0.000 0.485 373 G N -0.095 108.575 108.800 -0.218 0.000 2.328 373 G HA2 0.428 4.390 3.960 0.005 0.000 0.295 373 G HA3 0.428 4.390 3.960 0.005 0.000 0.295 373 G C -0.253 174.077 174.900 -0.950 0.000 1.413 373 G CA 0.022 44.833 45.100 -0.483 0.000 0.817 373 G HN 1.099 nan 8.290 nan 0.000 0.546 374 N N -1.107 117.131 118.700 -0.770 0.000 2.203 374 N HA 0.165 4.907 4.740 0.005 0.000 0.207 374 N C 0.581 175.968 175.510 -0.205 0.000 1.130 374 N CA 0.597 53.334 53.050 -0.522 0.000 0.861 374 N CB 0.541 38.757 38.487 -0.452 0.000 1.005 374 N HN 0.772 nan 8.380 nan 0.000 0.507 375 T N -3.368 110.988 114.554 -0.331 0.000 2.888 375 T HA 0.462 4.815 4.350 0.005 0.000 0.284 375 T C -2.063 172.215 174.700 -0.703 0.000 1.017 375 T CA -1.850 59.872 62.100 -0.630 0.000 1.022 375 T CB 2.544 71.174 68.868 -0.397 0.000 1.013 375 T HN -0.331 nan 8.240 nan 0.000 0.465 376 P HA -0.158 nan 4.420 nan 0.000 0.213 376 P C 1.798 178.691 177.300 -0.678 0.000 1.176 376 P CA 1.967 64.438 63.100 -1.047 0.000 0.919 376 P CB -0.337 30.067 31.700 -2.160 0.000 0.791 377 A N -0.195 122.282 122.820 -0.572 0.000 1.873 377 A HA -0.209 4.114 4.320 0.005 0.000 0.218 377 A C 2.372 179.768 177.584 -0.314 0.000 1.193 377 A CA 2.740 54.593 52.037 -0.306 0.000 0.629 377 A CB -1.764 17.108 19.000 -0.212 0.000 0.826 377 A HN 0.226 nan 8.150 nan 0.000 0.447 378 A N -0.901 121.729 122.820 -0.317 0.000 2.015 378 A HA -0.027 4.295 4.320 0.005 0.000 0.219 378 A C 2.225 179.703 177.584 -0.176 0.000 1.163 378 A CA 1.752 53.635 52.037 -0.256 0.000 0.646 378 A CB -0.512 18.382 19.000 -0.177 0.000 0.806 378 A HN 0.726 nan 8.150 nan 0.000 0.448 379 M N -1.458 117.995 119.600 -0.244 0.000 2.254 379 M HA 0.095 4.578 4.480 0.005 0.000 0.265 379 M C 1.675 177.900 176.300 -0.125 0.000 1.066 379 M CA 1.538 56.714 55.300 -0.207 0.000 1.123 379 M CB -0.008 32.431 32.600 -0.268 0.000 1.388 379 M HN 0.374 nan 8.290 nan 0.000 0.425 380 L N -0.388 120.756 121.223 -0.133 0.000 2.470 380 L HA 0.178 4.521 4.340 0.005 0.000 0.219 380 L C 0.176 176.989 176.870 -0.094 0.000 1.071 380 L CA 0.138 54.941 54.840 -0.061 0.000 0.850 380 L CB 0.307 42.372 42.059 0.010 0.000 1.040 380 L HN 0.100 nan 8.230 nan 0.000 0.475 381 T N 2.197 116.641 114.554 -0.184 0.000 2.822 381 T HA 0.023 4.376 4.350 0.005 0.000 0.288 381 T C -0.172 174.363 174.700 -0.275 0.000 0.991 381 T CA 0.463 62.361 62.100 -0.336 0.000 1.176 381 T CB 0.046 68.560 68.868 -0.590 0.000 0.951 381 T HN 0.131 nan 8.240 nan 0.000 0.526 382 R N 2.661 122.963 120.500 -0.330 0.000 2.521 382 R HA 0.306 4.649 4.340 0.005 0.000 0.295 382 R C -1.407 174.749 176.300 -0.241 0.000 1.183 382 R CA -0.528 55.395 56.100 -0.294 0.000 0.957 382 R CB 0.587 30.740 30.300 -0.244 0.000 1.171 382 R HN 0.501 nan 8.270 nan 0.000 0.494 383 Y N 2.594 122.871 120.300 -0.039 0.000 2.335 383 Y HA 0.309 4.861 4.550 0.005 0.000 0.331 383 Y C 0.637 176.564 175.900 0.045 0.000 1.094 383 Y CA -0.483 57.661 58.100 0.073 0.000 1.253 383 Y CB 1.084 39.633 38.460 0.148 0.000 1.203 383 Y HN 0.369 nan 8.280 nan 0.000 0.508 384 M N 3.694 123.488 119.600 0.322 0.000 2.182 384 M HA 0.189 4.671 4.480 0.005 0.000 0.285 384 M C 0.314 176.797 176.300 0.306 0.000 0.956 384 M CA -0.257 55.199 55.300 0.259 0.000 0.878 384 M CB 0.668 33.383 32.600 0.192 0.000 1.373 384 M HN 0.586 nan 8.290 nan 0.000 0.393 385 D N 0.367 120.978 120.400 0.351 0.000 2.315 385 D HA -0.140 4.502 4.640 0.005 0.000 0.211 385 D C 1.888 178.429 176.300 0.402 0.000 0.977 385 D CA 1.533 55.782 54.000 0.416 0.000 0.894 385 D CB 0.160 41.158 40.800 0.330 0.000 0.910 385 D HN 0.577 nan 8.370 nan 0.000 0.490 386 S N -0.460 115.403 115.700 0.272 0.000 2.474 386 S HA -0.029 4.443 4.470 0.005 0.000 0.235 386 S C 2.103 176.844 174.600 0.235 0.000 0.997 386 S CA 0.905 59.268 58.200 0.272 0.000 0.949 386 S CB -0.365 62.935 63.200 0.168 0.000 0.766 386 S HN 0.218 nan 8.310 nan 0.000 0.517 387 G N -0.190 108.665 108.800 0.092 0.000 2.559 387 G HA2 0.099 4.062 3.960 0.005 0.000 0.216 387 G HA3 0.099 4.062 3.960 0.005 0.000 0.216 387 G C 0.817 175.626 174.900 -0.152 0.000 1.126 387 G CA 0.490 45.498 45.100 -0.153 0.000 0.778 387 G HN 0.604 nan 8.290 nan 0.000 0.543 388 F N -0.133 120.039 119.950 0.369 0.000 2.480 388 F HA 0.444 4.974 4.527 0.005 0.000 0.280 388 F C 1.401 177.734 175.800 0.887 0.000 1.002 388 F CA 0.717 59.048 58.000 0.552 0.000 1.325 388 F CB 0.499 39.582 39.000 0.138 0.000 1.134 388 F HN 0.232 nan 8.300 nan 0.000 0.646 389 G N 0.467 109.795 108.800 0.880 0.000 3.160 389 G HA2 -0.025 3.938 3.960 0.005 0.000 0.573 389 G HA3 -0.025 3.938 3.960 0.005 0.000 0.573 389 G C -0.212 174.998 174.900 0.517 0.000 1.286 389 G CA -0.703 44.823 45.100 0.710 0.000 1.151 389 G HN -0.003 nan 8.290 nan 0.000 0.555 390 M N 1.913 121.686 119.600 0.288 0.000 2.254 390 M HA 0.148 4.631 4.480 0.005 0.000 0.265 390 M C 2.450 178.764 176.300 0.024 0.000 1.066 390 M CA 2.775 58.181 55.300 0.177 0.000 1.123 390 M CB -0.177 32.428 32.600 0.009 0.000 1.388 390 M HN 0.770 nan 8.290 nan 0.000 0.425 391 G N -1.782 106.951 108.800 -0.113 0.000 2.408 391 G HA2 -0.216 3.746 3.960 0.005 0.000 0.213 391 G HA3 -0.216 3.746 3.960 0.005 0.000 0.213 391 G C 1.412 176.130 174.900 -0.304 0.000 1.177 391 G CA 0.170 44.987 45.100 -0.471 0.000 0.802 391 G HN 0.409 nan 8.290 nan 0.000 0.533 392 Y N 1.108 121.285 120.300 -0.204 0.000 2.241 392 Y HA -0.039 4.513 4.550 0.005 0.000 0.286 392 Y C 1.262 176.892 175.900 -0.449 0.000 1.166 392 Y CA 0.564 58.450 58.100 -0.356 0.000 1.203 392 Y CB -0.327 37.948 38.460 -0.309 0.000 0.977 392 Y HN 0.163 nan 8.280 nan 0.000 0.529 393 F N 0.197 120.038 119.950 -0.181 0.000 2.668 393 F HA 0.475 5.005 4.527 0.005 0.000 0.297 393 F C 1.054 176.764 175.800 -0.150 0.000 1.124 393 F CA -0.073 57.791 58.000 -0.226 0.000 1.353 393 F CB -0.578 38.338 39.000 -0.140 0.000 0.992 393 F HN 0.030 nan 8.300 nan 0.000 0.524 394 A N 0.368 123.141 122.820 -0.078 0.000 2.351 394 A HA 0.587 4.910 4.320 0.005 0.000 0.257 394 A C 0.488 178.016 177.584 -0.095 0.000 1.087 394 A CA -0.048 51.925 52.037 -0.107 0.000 0.798 394 A CB 0.068 18.899 19.000 -0.283 0.000 1.033 394 A HN 0.255 nan 8.150 nan 0.000 0.488 395 T N -0.130 114.381 114.554 -0.071 0.000 2.924 395 T HA 0.734 5.086 4.350 0.005 0.000 0.291 395 T C -3.040 171.639 174.700 -0.035 0.000 1.045 395 T CA -2.037 60.038 62.100 -0.041 0.000 1.015 395 T CB 1.527 70.374 68.868 -0.035 0.000 1.103 395 T HN 0.481 nan 8.240 nan 0.000 0.496 396 P HA 0.229 nan 4.420 nan 0.000 0.267 396 P C -0.568 176.738 177.300 0.009 0.000 1.205 396 P CA -0.364 62.754 63.100 0.030 0.000 0.765 396 P CB 0.383 32.119 31.700 0.061 0.000 0.828 397 L N 3.951 125.196 121.223 0.037 0.000 2.367 397 L HA 0.222 4.565 4.340 0.005 0.000 0.275 397 L C 0.796 177.673 176.870 0.012 0.000 1.129 397 L CA -0.728 54.137 54.840 0.040 0.000 0.839 397 L CB -0.084 42.050 42.059 0.124 0.000 1.133 397 L HN 0.248 nan 8.230 nan 0.000 0.453 398 I N 4.076 124.625 120.570 -0.035 0.000 2.363 398 I HA 0.102 4.275 4.170 0.005 0.000 0.292 398 I C 0.574 176.624 176.117 -0.112 0.000 1.075 398 I CA 0.081 61.334 61.300 -0.078 0.000 1.333 398 I CB 0.198 38.150 38.000 -0.080 0.000 1.415 398 I HN 0.438 nan 8.210 nan 0.000 0.502 399 R N 5.401 125.799 120.500 -0.170 0.000 2.502 399 R HA 0.281 4.624 4.340 0.005 0.000 0.292 399 R C 1.268 177.321 176.300 -0.411 0.000 0.998 399 R CA 0.725 56.697 56.100 -0.213 0.000 1.056 399 R CB -0.176 29.960 30.300 -0.273 0.000 0.939 399 R HN 1.017 nan 8.270 nan 0.000 0.411 400 G N 1.166 109.541 108.800 -0.708 0.000 2.317 400 G HA2 -0.312 3.650 3.960 0.005 0.000 0.227 400 G HA3 -0.312 3.650 3.960 0.005 0.000 0.227 400 G C 0.621 175.196 174.900 -0.541 0.000 1.042 400 G CA 0.220 44.568 45.100 -1.253 0.000 0.623 400 G HN 0.423 nan 8.290 nan 0.000 0.509 401 V N 0.803 120.522 119.914 -0.326 0.000 2.502 401 V HA 0.148 4.271 4.120 0.005 0.000 0.234 401 V C 2.283 178.263 176.094 -0.190 0.000 1.072 401 V CA 2.045 64.221 62.300 -0.208 0.000 1.094 401 V CB -0.394 31.343 31.823 -0.144 0.000 0.761 401 V HN 0.255 nan 8.190 nan 0.000 0.489 402 D N -0.391 119.918 120.400 -0.151 0.000 2.149 402 D HA -0.016 4.627 4.640 0.005 0.000 0.201 402 D C 0.520 176.730 176.300 -0.149 0.000 0.972 402 D CA 1.043 54.969 54.000 -0.122 0.000 0.835 402 D CB 0.025 40.784 40.800 -0.068 0.000 0.966 402 D HN 0.399 nan 8.370 nan 0.000 0.476 403 c N 0.424 118.926 118.600 -0.164 0.000 2.797 403 c HA 0.414 4.987 4.570 0.005 0.000 0.306 403 c C -2.385 171.473 174.090 -0.388 0.000 1.207 403 c CA -1.727 54.404 56.329 -0.330 0.000 1.507 403 c CB 2.021 44.415 42.510 -0.194 0.000 2.028 403 c HN 0.032 nan 8.230 nan 0.000 0.475 404 P HA -0.017 nan 4.420 nan 0.000 0.267 404 P C 0.066 177.276 177.300 -0.150 0.000 1.195 404 P CA 0.391 63.249 63.100 -0.402 0.000 0.773 404 P CB 0.261 31.687 31.700 -0.457 0.000 0.837 405 Y N 0.720 121.014 120.300 -0.011 0.000 2.256 405 Y HA -0.104 4.448 4.550 0.005 0.000 0.288 405 Y C 1.771 177.745 175.900 0.124 0.000 1.155 405 Y CA 1.437 59.573 58.100 0.061 0.000 1.203 405 Y CB -0.489 37.984 38.460 0.022 0.000 0.980 405 Y HN 0.243 nan 8.280 nan 0.000 0.530 406 L N -0.329 121.035 121.223 0.235 0.000 2.848 406 L HA 0.344 4.687 4.340 0.005 0.000 0.240 406 L C 0.800 177.787 176.870 0.194 0.000 1.232 406 L CA -0.565 54.395 54.840 0.200 0.000 1.031 406 L CB -0.596 41.551 42.059 0.148 0.000 1.338 406 L HN 0.016 nan 8.230 nan 0.000 0.509 407 A N -0.217 122.703 122.820 0.166 0.000 2.313 407 A HA 0.492 4.815 4.320 0.005 0.000 0.261 407 A C 0.354 177.929 177.584 -0.015 0.000 1.090 407 A CA -0.045 52.023 52.037 0.052 0.000 0.807 407 A CB 0.309 19.147 19.000 -0.269 0.000 1.055 407 A HN 0.181 nan 8.150 nan 0.000 0.492 408 T N 1.109 115.696 114.554 0.056 0.000 2.856 408 T HA 0.492 4.845 4.350 0.005 0.000 0.292 408 T C -1.193 173.436 174.700 -0.117 0.000 0.980 408 T CA 0.655 62.813 62.100 0.097 0.000 1.091 408 T CB 0.050 69.086 68.868 0.281 0.000 0.936 408 T HN 0.358 nan 8.240 nan 0.000 0.503 409 Y N 2.257 122.684 120.300 0.212 0.000 2.326 409 Y HA 0.539 5.092 4.550 0.005 0.000 0.331 409 Y C -0.107 175.950 175.900 0.262 0.000 0.962 409 Y CA -1.155 57.076 58.100 0.218 0.000 1.167 409 Y CB 1.212 39.773 38.460 0.168 0.000 1.148 409 Y HN 0.461 nan 8.280 nan 0.000 0.463 410 M N 2.328 122.207 119.600 0.465 0.000 2.598 410 M HA 0.422 4.904 4.480 0.005 0.000 0.317 410 M C -0.745 175.902 176.300 0.579 0.000 1.201 410 M CA -0.521 55.093 55.300 0.523 0.000 0.971 410 M CB 1.068 34.029 32.600 0.600 0.000 1.657 410 M HN 0.441 nan 8.290 nan 0.000 0.470 411 D N -0.346 120.356 120.400 0.504 0.000 2.385 411 D HA 0.597 5.240 4.640 0.005 0.000 0.254 411 D C -1.689 174.925 176.300 0.524 0.000 1.053 411 D CA -0.007 54.216 54.000 0.372 0.000 0.992 411 D CB 1.138 42.038 40.800 0.166 0.000 1.145 411 D HN 0.568 nan 8.370 nan 0.000 0.523 412 W N 0.103 121.421 121.300 0.030 0.000 3.138 412 W HA 0.412 5.074 4.660 0.004 0.000 0.331 412 W C -1.395 175.044 176.519 -0.134 0.000 1.166 412 W CA -0.445 56.987 57.345 0.145 0.000 1.212 412 W CB 0.959 30.545 29.460 0.209 0.000 1.399 412 W HN 0.326 nan 8.180 nan 0.000 0.514 413 H N 4.634 123.458 119.070 -0.410 0.000 2.572 413 H HA 0.704 5.262 4.556 0.005 0.000 0.359 413 H C -0.887 173.990 175.328 -0.753 0.000 1.134 413 H CA -0.575 55.211 56.048 -0.438 0.000 1.187 413 H CB 1.566 31.176 29.762 -0.253 0.000 1.597 413 H HN 0.256 nan 8.280 nan 0.000 0.524 414 F N -0.313 119.231 119.950 -0.676 0.000 2.628 414 F HA 0.509 5.038 4.527 0.004 0.000 0.309 414 F C -1.695 173.884 175.800 -0.370 0.000 1.108 414 F CA -1.274 56.321 58.000 -0.675 0.000 0.971 414 F CB 1.139 39.547 39.000 -0.987 0.000 1.279 414 F HN 0.419 nan 8.300 nan 0.000 0.441 415 V N 4.557 124.312 119.914 -0.265 0.000 2.266 415 V HA 0.718 4.840 4.120 0.005 0.000 0.271 415 V C -1.709 174.229 176.094 -0.260 0.000 1.032 415 V CA -0.345 61.788 62.300 -0.278 0.000 0.806 415 V CB 0.942 32.639 31.823 -0.210 0.000 1.052 415 V HN 0.763 nan 8.190 nan 0.000 0.449 416 V N 5.838 125.574 119.914 -0.297 0.000 2.409 416 V HA 0.562 4.684 4.120 0.005 0.000 0.290 416 V C 0.316 176.104 176.094 -0.511 0.000 1.017 416 V CA -0.510 61.438 62.300 -0.588 0.000 0.841 416 V CB 1.266 32.514 31.823 -0.959 0.000 1.003 416 V HN 0.964 nan 8.190 nan 0.000 0.426 417 E N 1.914 121.839 120.200 -0.458 0.000 2.553 417 E HA -0.172 4.180 4.350 0.005 0.000 0.264 417 E C 0.115 176.660 176.600 -0.092 0.000 1.068 417 E CA 0.779 57.069 56.400 -0.184 0.000 0.774 417 E CB -0.992 28.688 29.700 -0.034 0.000 1.349 417 E HN 0.918 nan 8.360 nan 0.000 0.404 418 S N -2.117 113.503 115.700 -0.134 0.000 2.596 418 S HA 0.400 4.872 4.470 0.005 0.000 0.270 418 S C 0.540 175.080 174.600 -0.100 0.000 1.155 418 S CA -1.047 57.093 58.200 -0.100 0.000 0.827 418 S CB 2.173 65.294 63.200 -0.132 0.000 1.130 418 S HN -0.002 nan 8.310 nan 0.000 0.467 419 Q N 0.996 120.752 119.800 -0.074 0.000 2.061 419 Q HA 0.110 4.452 4.340 0.005 0.000 0.195 419 Q C 0.889 176.840 176.000 -0.083 0.000 0.967 419 Q CA 1.688 57.454 55.803 -0.062 0.000 0.829 419 Q CB -0.402 28.314 28.738 -0.037 0.000 0.900 419 Q HN 0.961 nan 8.270 nan 0.000 0.450 420 T N 0.040 114.536 114.554 -0.096 0.000 2.907 420 T HA 0.448 4.801 4.350 0.005 0.000 0.284 420 T C -2.660 171.934 174.700 -0.177 0.000 1.004 420 T CA -2.194 59.839 62.100 -0.112 0.000 1.063 420 T CB 1.444 70.260 68.868 -0.088 0.000 0.992 420 T HN -0.186 nan 8.240 nan 0.000 0.483 421 P HA 0.309 nan 4.420 nan 0.000 0.265 421 P C -0.569 176.532 177.300 -0.331 0.000 1.193 421 P CA -0.254 62.689 63.100 -0.261 0.000 0.765 421 P CB 0.330 31.918 31.700 -0.187 0.000 0.823 422 K N 1.004 121.033 120.400 -0.620 0.000 2.156 422 K HA 0.631 4.954 4.320 0.005 0.000 0.250 422 K C -0.175 176.063 176.600 -0.605 0.000 0.955 422 K CA -0.472 55.383 56.287 -0.719 0.000 0.855 422 K CB 1.275 33.049 32.500 -1.210 0.000 1.101 422 K HN 0.255 nan 8.250 nan 0.000 0.434 423 T N 2.043 116.403 114.554 -0.323 0.000 2.812 423 T HA 0.413 4.766 4.350 0.005 0.000 0.282 423 T C -1.234 173.320 174.700 -0.242 0.000 0.990 423 T CA -0.762 61.138 62.100 -0.333 0.000 0.960 423 T CB 0.321 68.988 68.868 -0.334 0.000 0.948 423 T HN 0.383 nan 8.240 nan 0.000 0.438 424 L N 6.147 127.323 121.223 -0.079 0.000 2.264 424 L HA 0.452 4.795 4.340 0.005 0.000 0.287 424 L C -0.362 176.462 176.870 -0.077 0.000 1.039 424 L CA -0.739 54.131 54.840 0.051 0.000 0.829 424 L CB 0.296 42.535 42.059 0.299 0.000 1.211 424 L HN 0.873 nan 8.230 nan 0.000 0.427 425 H N 3.667 122.791 119.070 0.092 0.000 2.683 425 H HA 0.089 4.648 4.556 0.005 0.000 0.339 425 H C -0.193 175.192 175.328 0.095 0.000 1.081 425 H CA -0.098 56.003 56.048 0.088 0.000 1.432 425 H CB 0.496 30.295 29.762 0.060 0.000 1.462 425 H HN 0.531 nan 8.280 nan 0.000 0.557 426 D N 1.526 122.084 120.400 0.265 0.000 2.689 426 D HA -0.209 4.434 4.640 0.005 0.000 0.237 426 D C 0.971 177.358 176.300 0.145 0.000 1.148 426 D CA 0.844 55.005 54.000 0.268 0.000 0.656 426 D CB -1.232 39.689 40.800 0.201 0.000 1.050 426 D HN 0.759 nan 8.370 nan 0.000 0.426 427 A N -1.006 121.832 122.820 0.031 0.000 1.968 427 A HA 0.173 4.495 4.320 0.005 0.000 0.217 427 A C 0.729 177.981 177.584 -0.554 0.000 1.169 427 A CA 0.855 52.678 52.037 -0.357 0.000 0.638 427 A CB 0.136 18.765 19.000 -0.619 0.000 0.812 427 A HN 0.260 nan 8.150 nan 0.000 0.446 428 F N -1.915 118.134 119.950 0.165 0.000 2.598 428 F HA 0.584 5.115 4.527 0.006 0.000 0.327 428 F C 0.135 175.975 175.800 0.068 0.000 1.057 428 F CA -1.120 56.938 58.000 0.096 0.000 0.957 428 F CB 1.520 40.631 39.000 0.186 0.000 1.278 428 F HN 0.211 nan 8.300 nan 0.000 0.484 429 c N 0.268 118.967 118.600 0.164 0.000 2.891 429 c HA 0.913 5.486 4.570 0.005 0.000 0.342 429 c C -1.579 172.549 174.090 0.062 0.000 1.126 429 c CA -0.830 55.488 56.329 -0.018 0.000 1.322 429 c CB 0.715 43.098 42.510 -0.211 0.000 1.763 429 c HN 0.712 nan 8.230 nan 0.000 0.491 430 V N 4.199 124.138 119.914 0.041 0.000 2.540 430 V HA 0.903 5.026 4.120 0.005 0.000 0.302 430 V C -0.281 175.857 176.094 0.073 0.000 1.035 430 V CA -0.113 62.159 62.300 -0.047 0.000 0.873 430 V CB 1.417 33.119 31.823 -0.202 0.000 0.992 430 V HN 1.063 nan 8.190 nan 0.000 0.428 431 F N 1.112 120.940 119.950 -0.203 0.000 2.711 431 F HA 0.755 5.285 4.527 0.005 0.000 0.313 431 F C -0.687 175.070 175.800 -0.071 0.000 1.141 431 F CA -1.276 56.717 58.000 -0.013 0.000 0.941 431 F CB 1.405 40.412 39.000 0.013 0.000 1.349 431 F HN 0.397 nan 8.300 nan 0.000 0.464 432 E N 0.809 121.176 120.200 0.279 0.000 2.249 432 E HA 0.399 4.751 4.350 0.005 0.000 0.280 432 E C -1.331 175.418 176.600 0.247 0.000 1.016 432 E CA -0.830 55.657 56.400 0.145 0.000 0.830 432 E CB 1.580 31.417 29.700 0.228 0.000 1.081 432 E HN 0.497 nan 8.360 nan 0.000 0.395 433 Q N 3.006 122.859 119.800 0.089 0.000 2.401 433 Q HA 0.109 4.452 4.340 0.005 0.000 0.260 433 Q C -1.138 174.911 176.000 0.081 0.000 1.034 433 Q CA -0.312 55.582 55.803 0.151 0.000 0.737 433 Q CB 0.772 29.580 28.738 0.116 0.000 1.227 433 Q HN 0.516 nan 8.270 nan 0.000 0.488 434 N N 4.241 123.001 118.700 0.099 0.000 2.400 434 N HA -0.018 4.725 4.740 0.005 0.000 0.267 434 N C 0.428 175.979 175.510 0.068 0.000 1.208 434 N CA -0.004 53.093 53.050 0.078 0.000 0.951 434 N CB 0.614 39.147 38.487 0.077 0.000 1.227 434 N HN 0.518 nan 8.380 nan 0.000 0.488 435 K N 2.869 123.307 120.400 0.064 0.000 2.281 435 K HA -0.116 4.207 4.320 0.005 0.000 0.203 435 K C 1.245 177.879 176.600 0.057 0.000 1.046 435 K CA 1.006 57.331 56.287 0.064 0.000 0.938 435 K CB -0.226 32.325 32.500 0.086 0.000 0.737 435 K HN 0.896 nan 8.250 nan 0.000 0.458 436 G N 1.375 110.208 108.800 0.055 0.000 2.184 436 G HA2 -0.267 3.696 3.960 0.005 0.000 0.264 436 G HA3 -0.267 3.696 3.960 0.005 0.000 0.264 436 G C -0.122 174.803 174.900 0.041 0.000 0.975 436 G CA 0.479 45.606 45.100 0.045 0.000 0.642 436 G HN 0.301 nan 8.290 nan 0.000 0.536 437 L N 1.826 123.078 121.223 0.049 0.000 2.346 437 L HA 0.784 5.127 4.340 0.005 0.000 0.276 437 L C -2.139 174.759 176.870 0.047 0.000 1.006 437 L CA -2.573 52.293 54.840 0.043 0.000 0.817 437 L CB 1.465 43.551 42.059 0.046 0.000 1.272 437 L HN -0.089 nan 8.230 nan 0.000 0.421 438 P HA 0.012 nan 4.420 nan 0.000 0.271 438 P C 0.607 177.930 177.300 0.039 0.000 1.233 438 P CA -0.001 63.121 63.100 0.036 0.000 0.764 438 P CB 1.037 32.752 31.700 0.025 0.000 0.825 439 L N 4.408 125.662 121.223 0.052 0.000 2.093 439 L HA -0.110 4.233 4.340 0.005 0.000 0.208 439 L C 1.989 178.879 176.870 0.033 0.000 1.085 439 L CA 1.587 56.460 54.840 0.055 0.000 0.755 439 L CB -0.074 42.035 42.059 0.084 0.000 0.904 439 L HN 0.410 nan 8.230 nan 0.000 0.435 440 R N -2.462 118.056 120.500 0.029 0.000 2.637 440 R HA 0.303 4.646 4.340 0.005 0.000 0.262 440 R C 0.167 176.475 176.300 0.014 0.000 0.959 440 R CA -0.532 55.580 56.100 0.019 0.000 1.061 440 R CB 0.188 30.501 30.300 0.022 0.000 1.610 440 R HN 0.046 nan 8.270 nan 0.000 0.548 453 G N -1.241 107.570 108.800 0.017 0.000 3.251 453 G HA2 0.986 4.949 3.960 0.005 0.000 0.248 453 G HA3 0.986 4.949 3.960 0.005 0.000 0.248 453 G C -1.235 173.682 174.900 0.027 0.000 1.320 453 G CA -0.396 44.717 45.100 0.022 0.000 0.982 453 G HN 1.741 nan 8.290 nan 0.000 0.575 454 V N -1.539 118.396 119.914 0.034 0.000 3.264 454 V HA 0.710 4.833 4.120 0.005 0.000 0.294 454 V C -0.107 176.016 176.094 0.048 0.000 1.429 454 V CA -0.087 62.237 62.300 0.040 0.000 1.053 454 V CB 1.579 33.429 31.823 0.045 0.000 1.128 454 V HN 1.666 nan 8.190 nan 0.000 0.452 455 A N 2.423 125.273 122.820 0.051 0.000 2.366 455 A HA 0.497 4.819 4.320 0.005 0.000 0.250 455 A C 0.048 177.678 177.584 0.076 0.000 1.099 455 A CA 0.027 52.099 52.037 0.058 0.000 0.794 455 A CB 0.182 19.215 19.000 0.055 0.000 1.056 455 A HN 0.915 nan 8.150 nan 0.000 0.499 456 Q N 0.209 120.060 119.800 0.085 0.000 2.377 456 Q HA 0.347 4.690 4.340 0.005 0.000 0.249 456 Q C -0.530 175.531 176.000 0.102 0.000 1.005 456 Q CA 0.019 55.891 55.803 0.116 0.000 0.912 456 Q CB 0.536 29.357 28.738 0.139 0.000 1.223 456 Q HN 0.708 nan 8.270 nan 0.000 0.459 457 T N 2.885 117.500 114.554 0.103 0.000 2.794 457 T HA 0.585 4.938 4.350 0.005 0.000 0.280 457 T C -0.954 173.774 174.700 0.047 0.000 0.987 457 T CA -0.487 61.660 62.100 0.078 0.000 0.993 457 T CB 0.834 69.757 68.868 0.092 0.000 0.939 457 T HN 0.341 nan 8.240 nan 0.000 0.449 458 V N 5.476 125.366 119.914 -0.040 0.000 2.823 458 V HA 0.585 4.708 4.120 0.005 0.000 0.312 458 V C -0.557 175.414 176.094 -0.205 0.000 1.072 458 V CA -1.047 61.142 62.300 -0.185 0.000 0.937 458 V CB 1.977 33.551 31.823 -0.415 0.000 1.013 458 V HN 0.797 nan 8.190 nan 0.000 0.430 459 L N 4.555 125.647 121.223 -0.218 0.000 2.264 459 L HA 0.631 4.974 4.340 0.005 0.000 0.289 459 L C -0.512 176.137 176.870 -0.368 0.000 1.044 459 L CA 0.270 54.945 54.840 -0.275 0.000 0.807 459 L CB 1.375 43.344 42.059 -0.150 0.000 1.192 459 L HN 0.465 nan 8.230 nan 0.000 0.425 460 V N 5.997 125.531 119.914 -0.632 0.000 2.409 460 V HA 0.359 4.482 4.120 0.005 0.000 0.291 460 V C -0.682 175.143 176.094 -0.448 0.000 1.020 460 V CA -0.595 61.288 62.300 -0.695 0.000 0.848 460 V CB 1.292 32.392 31.823 -1.205 0.000 0.990 460 V HN 0.583 nan 8.190 nan 0.000 0.430 461 F N 6.278 126.041 119.950 -0.312 0.000 2.388 461 F HA 0.734 5.265 4.527 0.006 0.000 0.358 461 F C -0.132 175.608 175.800 -0.099 0.000 1.122 461 F CA -0.516 57.387 58.000 -0.162 0.000 1.056 461 F CB 0.642 39.612 39.000 -0.050 0.000 1.155 461 F HN 0.453 nan 8.300 nan 0.000 0.461 462 R N 3.672 123.890 120.500 -0.471 0.000 2.837 462 R HA 0.789 5.132 4.340 0.005 0.000 0.271 462 R C -1.484 174.616 176.300 -0.334 0.000 0.993 462 R CA -0.491 55.384 56.100 -0.374 0.000 0.931 462 R CB 2.150 32.409 30.300 -0.069 0.000 1.206 462 R HN 0.871 nan 8.270 nan 0.000 0.474 463 S N 0.043 115.622 115.700 -0.203 0.000 2.595 463 S HA 0.465 4.938 4.470 0.005 0.000 0.270 463 S C -1.651 172.949 174.600 -0.000 0.000 1.145 463 S CA -0.842 57.288 58.200 -0.116 0.000 0.825 463 S CB 1.832 64.926 63.200 -0.176 0.000 1.107 463 S HN 0.244 nan 8.310 nan 0.000 0.461 464 V N 1.733 121.634 119.914 -0.022 0.000 2.577 464 V HA 0.672 4.795 4.120 0.005 0.000 0.303 464 V C -0.416 175.699 176.094 0.035 0.000 1.042 464 V CA -0.524 61.759 62.300 -0.028 0.000 0.872 464 V CB 1.984 33.751 31.823 -0.094 0.000 0.998 464 V HN 0.985 nan 8.190 nan 0.000 0.423 465 S N 2.722 118.505 115.700 0.138 0.000 2.462 465 S HA 0.671 5.144 4.470 0.005 0.000 0.294 465 S C -0.092 174.531 174.600 0.038 0.000 1.144 465 S CA -0.473 57.843 58.200 0.194 0.000 1.088 465 S CB 1.489 64.996 63.200 0.512 0.000 1.009 465 S HN 0.777 nan 8.310 nan 0.000 0.484 466 T N 3.910 118.470 114.554 0.010 0.000 2.840 466 T HA 0.504 4.857 4.350 0.005 0.000 0.287 466 T C -0.657 173.989 174.700 -0.090 0.000 0.991 466 T CA -0.392 61.658 62.100 -0.084 0.000 0.964 466 T CB 0.657 69.478 68.868 -0.078 0.000 0.954 466 T HN 0.468 nan 8.240 nan 0.000 0.438 467 M N 4.156 123.616 119.600 -0.234 0.000 2.093 467 M HA 0.356 4.839 4.480 0.005 0.000 0.297 467 M C -0.563 175.566 176.300 -0.284 0.000 0.938 467 M CA -0.702 54.373 55.300 -0.375 0.000 0.920 467 M CB 1.519 33.733 32.600 -0.642 0.000 1.517 467 M HN 0.407 nan 8.290 nan 0.000 0.427 468 L N 2.171 123.290 121.223 -0.173 0.000 4.040 468 L HA -0.317 4.026 4.340 0.005 0.000 0.410 468 L C -0.243 176.620 176.870 -0.011 0.000 1.187 468 L CA 0.834 55.653 54.840 -0.036 0.000 0.956 468 L CB -2.821 39.263 42.059 0.041 0.000 2.022 468 L HN 0.985 nan 8.230 nan 0.000 0.897 472 Y N 0.374 120.456 120.300 -0.365 0.000 2.331 472 Y HA 0.419 4.972 4.550 0.005 0.000 0.338 472 Y C 0.618 176.019 175.900 -0.831 0.000 0.976 472 Y CA -1.196 56.474 58.100 -0.716 0.000 1.137 472 Y CB 2.046 39.865 38.460 -1.070 0.000 1.172 472 Y HN 0.173 nan 8.280 nan 0.000 0.478 473 V N 4.976 124.585 119.914 -0.507 0.000 2.333 473 V HA 0.351 4.474 4.120 0.005 0.000 0.274 473 V C -1.331 174.529 176.094 -0.390 0.000 1.028 473 V CA -0.878 61.191 62.300 -0.386 0.000 0.851 473 V CB -0.071 31.635 31.823 -0.196 0.000 1.000 473 V HN 0.728 nan 8.190 nan 0.000 0.456 474 W N 4.913 126.183 121.300 -0.051 0.000 2.342 474 W HA 0.594 5.257 4.660 0.005 0.000 0.310 474 W C -0.324 176.078 176.519 -0.194 0.000 1.128 474 W CA -0.511 56.779 57.345 -0.093 0.000 1.322 474 W CB 0.830 30.227 29.460 -0.105 0.000 1.251 474 W HN 0.508 nan 8.180 nan 0.000 0.439 475 D N 3.310 123.714 120.400 0.007 0.000 2.256 475 D HA 0.474 5.117 4.640 0.005 0.000 0.246 475 D C -0.343 175.799 176.300 -0.264 0.000 1.042 475 D CA -0.421 53.487 54.000 -0.152 0.000 0.841 475 D CB 1.357 42.077 40.800 -0.132 0.000 1.223 475 D HN 0.175 nan 8.370 nan 0.000 0.470 476 M N 2.103 121.510 119.600 -0.321 0.000 2.142 476 M HA 0.330 4.813 4.480 0.005 0.000 0.299 476 M C -1.025 174.864 176.300 -0.685 0.000 0.960 476 M CA -1.123 53.873 55.300 -0.505 0.000 0.920 476 M CB 2.198 34.631 32.600 -0.279 0.000 1.541 476 M HN 0.169 nan 8.290 nan 0.000 0.429 477 V N 3.617 122.990 119.914 -0.902 0.000 2.495 477 V HA 0.674 4.797 4.120 0.005 0.000 0.298 477 V C -1.757 173.683 176.094 -1.089 0.000 1.031 477 V CA -0.302 61.497 62.300 -0.836 0.000 0.871 477 V CB 1.416 32.856 31.823 -0.639 0.000 0.988 477 V HN 0.677 nan 8.190 nan 0.000 0.432 478 F N 6.575 126.094 119.950 -0.718 0.000 2.375 478 F HA 0.611 5.141 4.527 0.005 0.000 0.361 478 F C -0.230 175.330 175.800 -0.399 0.000 1.117 478 F CA -0.581 56.891 58.000 -0.880 0.000 1.037 478 F CB 1.099 39.140 39.000 -1.598 0.000 1.192 478 F HN 0.492 nan 8.300 nan 0.000 0.452 479 Y N 3.978 124.372 120.300 0.156 0.000 2.307 479 Y HA 0.244 4.797 4.550 0.004 0.000 0.324 479 Y C -1.270 174.983 175.900 0.589 0.000 1.238 479 Y CA -1.914 56.368 58.100 0.304 0.000 1.280 479 Y CB 0.542 39.112 38.460 0.184 0.000 1.248 479 Y HN 0.358 nan 8.280 nan 0.000 0.508 480 P HA -0.089 nan 4.420 nan 0.000 0.237 480 P C 0.143 177.672 177.300 0.381 0.000 1.178 480 P CA 1.128 64.510 63.100 0.470 0.000 0.766 480 P CB 0.265 32.148 31.700 0.306 0.000 0.876 481 N N -0.699 118.167 118.700 0.277 0.000 2.299 481 N HA 0.074 4.817 4.740 0.005 0.000 0.187 481 N C 1.286 176.723 175.510 -0.120 0.000 1.099 481 N CA 0.742 53.858 53.050 0.111 0.000 0.867 481 N CB -0.398 38.132 38.487 0.072 0.000 0.974 481 N HN 0.171 nan 8.380 nan 0.000 0.477 482 G N -0.852 107.721 108.800 -0.377 0.000 2.184 482 G HA2 -0.073 3.890 3.960 0.005 0.000 0.206 482 G HA3 -0.073 3.890 3.960 0.005 0.000 0.206 482 G C 0.067 175.062 174.900 0.158 0.000 0.995 482 G CA -0.023 44.564 45.100 -0.854 0.000 0.651 482 G HN 0.733 nan 8.290 nan 0.000 0.511 483 A N 0.128 123.102 122.820 0.256 0.000 2.327 483 A HA 0.812 5.135 4.320 0.005 0.000 0.283 483 A C 0.161 177.942 177.584 0.329 0.000 1.127 483 A CA -0.137 52.051 52.037 0.252 0.000 0.810 483 A CB 0.499 19.511 19.000 0.020 0.000 1.066 483 A HN 0.741 nan 8.150 nan 0.000 0.492 484 I N 1.114 121.772 120.570 0.147 0.000 2.474 484 I HA 0.383 4.556 4.170 0.005 0.000 0.294 484 I C 0.003 175.879 176.117 -0.402 0.000 1.005 484 I CA -0.268 60.900 61.300 -0.219 0.000 1.113 484 I CB 1.953 39.748 38.000 -0.341 0.000 1.289 484 I HN 0.805 nan 8.210 nan 0.000 0.436 485 E N 5.813 125.620 120.200 -0.655 0.000 2.199 485 E HA 0.569 4.922 4.350 0.005 0.000 0.265 485 E C -1.808 174.200 176.600 -0.987 0.000 0.882 485 E CA -0.614 55.165 56.400 -1.036 0.000 0.759 485 E CB 2.179 31.341 29.700 -0.897 0.000 1.148 485 E HN 0.373 nan 8.360 nan 0.000 0.412 486 V N 5.432 124.634 119.914 -1.186 0.000 2.376 486 V HA 0.432 4.555 4.120 0.005 0.000 0.287 486 V C -0.394 175.218 176.094 -0.802 0.000 1.015 486 V CA -0.853 60.802 62.300 -1.075 0.000 0.834 486 V CB 1.329 32.225 31.823 -1.544 0.000 1.001 486 V HN 0.552 nan 8.190 nan 0.000 0.428 487 K N 3.757 123.882 120.400 -0.459 0.000 2.328 487 K HA 0.725 5.048 4.320 0.005 0.000 0.246 487 K C -1.204 175.336 176.600 -0.099 0.000 0.955 487 K CA -0.878 55.246 56.287 -0.272 0.000 0.817 487 K CB 3.021 35.373 32.500 -0.246 0.000 1.208 487 K HN 0.512 nan 8.250 nan 0.000 0.432 488 L N 1.733 122.899 121.223 -0.094 0.000 2.346 488 L HA 0.462 4.805 4.340 0.005 0.000 0.276 488 L C -1.152 175.544 176.870 -0.290 0.000 1.006 488 L CA -0.113 54.674 54.840 -0.088 0.000 0.817 488 L CB 1.314 43.421 42.059 0.080 0.000 1.272 488 L HN 0.514 nan 8.230 nan 0.000 0.421 489 H N 4.219 123.180 119.070 -0.181 0.000 2.658 489 H HA 0.675 5.234 4.556 0.005 0.000 0.337 489 H C -0.828 174.402 175.328 -0.164 0.000 1.009 489 H CA -0.456 55.495 56.048 -0.161 0.000 1.231 489 H CB 1.957 31.616 29.762 -0.172 0.000 1.508 489 H HN 0.879 nan 8.280 nan 0.000 0.517 490 A N 2.955 125.773 122.820 -0.003 0.000 2.310 490 A HA 0.599 4.922 4.320 0.005 0.000 0.299 490 A C 0.217 177.736 177.584 -0.109 0.000 1.147 490 A CA -0.361 51.622 52.037 -0.089 0.000 0.818 490 A CB 1.196 20.109 19.000 -0.144 0.000 1.096 490 A HN 0.642 nan 8.150 nan 0.000 0.495 491 T N -0.060 114.388 114.554 -0.176 0.000 2.775 491 T HA 0.664 5.017 4.350 0.005 0.000 0.320 491 T C -0.071 174.500 174.700 -0.214 0.000 1.597 491 T CA 1.026 63.031 62.100 -0.159 0.000 1.022 491 T CB 0.816 69.588 68.868 -0.160 0.000 1.485 491 T HN 2.737 nan 8.240 nan 0.000 0.494 492 G N 1.207 109.873 108.800 -0.224 0.000 2.341 492 G HA2 0.001 3.964 3.960 0.005 0.000 0.196 492 G HA3 0.001 3.964 3.960 0.005 0.000 0.196 492 G C -1.530 173.210 174.900 -0.266 0.000 1.231 492 G CA -0.416 44.449 45.100 -0.392 0.000 1.155 492 G HN 0.899 nan 8.290 nan 0.000 0.529 493 Y N 1.283 121.555 120.300 -0.046 0.000 2.308 493 Y HA 0.575 5.128 4.550 0.005 0.000 0.329 493 Y C 1.499 177.406 175.900 0.013 0.000 1.111 493 Y CA -0.733 57.354 58.100 -0.022 0.000 1.179 493 Y CB 1.028 39.459 38.460 -0.048 0.000 1.201 493 Y HN 0.646 nan 8.280 nan 0.000 0.483 494 I N 0.227 120.924 120.570 0.212 0.000 2.662 494 I HA 0.415 4.588 4.170 0.005 0.000 0.291 494 I C 0.277 176.465 176.117 0.118 0.000 1.046 494 I CA -0.745 60.646 61.300 0.153 0.000 1.361 494 I CB 1.297 39.388 38.000 0.151 0.000 1.429 494 I HN 0.556 nan 8.210 nan 0.000 0.558 495 S N 3.890 119.630 115.700 0.068 0.000 2.565 495 S HA 0.393 4.866 4.470 0.005 0.000 0.276 495 S C 0.002 174.643 174.600 0.069 0.000 1.326 495 S CA -0.607 57.607 58.200 0.024 0.000 1.045 495 S CB 0.933 64.036 63.200 -0.162 0.000 0.918 495 S HN 0.726 nan 8.310 nan 0.000 0.505 496 S N 1.294 117.080 115.700 0.143 0.000 2.664 496 S HA 0.892 5.365 4.470 0.005 0.000 0.304 496 S C -0.388 174.325 174.600 0.188 0.000 1.099 496 S CA -0.597 57.708 58.200 0.174 0.000 1.003 496 S CB 1.572 64.902 63.200 0.216 0.000 1.092 496 S HN 1.250 nan 8.310 nan 0.000 0.525 497 A N 1.024 123.921 122.820 0.128 0.000 2.414 497 A HA 0.725 5.048 4.320 0.005 0.000 0.306 497 A C -0.989 176.683 177.584 0.146 0.000 1.054 497 A CA -0.694 51.409 52.037 0.109 0.000 0.724 497 A CB 0.594 19.622 19.000 0.047 0.000 1.267 497 A HN 0.717 nan 8.150 nan 0.000 0.418 498 F N 2.028 122.002 119.950 0.039 0.000 2.538 498 F HA 0.393 4.923 4.527 0.005 0.000 0.371 498 F C 0.025 175.923 175.800 0.164 0.000 1.087 498 F CA -0.167 57.877 58.000 0.073 0.000 1.250 498 F CB 0.451 39.456 39.000 0.008 0.000 1.110 498 F HN 0.496 nan 8.300 nan 0.000 0.570 499 L N 9.277 130.170 121.223 -0.550 0.000 2.313 499 L HA 0.399 4.742 4.340 0.005 0.000 0.282 499 L C -1.020 175.675 176.870 -0.292 0.000 1.092 499 L CA -0.065 54.582 54.840 -0.321 0.000 0.831 499 L CB -0.029 41.887 42.059 -0.238 0.000 1.159 499 L HN 0.596 nan 8.230 nan 0.000 0.442 500 F N 3.942 123.805 119.950 -0.145 0.000 2.654 500 F HA 0.831 5.361 4.527 0.005 0.000 0.308 500 F C 0.391 176.211 175.800 0.034 0.000 1.108 500 F CA -0.194 57.791 58.000 -0.024 0.000 0.957 500 F CB 0.417 39.490 39.000 0.122 0.000 1.309 500 F HN 0.832 nan 8.300 nan 0.000 0.446 501 G N 1.188 109.972 108.800 -0.025 0.000 2.594 501 G HA2 0.007 3.970 3.960 0.005 0.000 0.297 501 G HA3 0.007 3.970 3.960 0.005 0.000 0.297 501 G C 0.421 175.212 174.900 -0.183 0.000 1.273 501 G CA 0.622 45.654 45.100 -0.115 0.000 0.974 501 G HN 2.105 nan 8.290 nan 0.000 0.552 502 A N 0.334 123.055 122.820 -0.165 0.000 3.033 502 A HA 0.679 5.002 4.320 0.005 0.000 0.250 502 A C 1.951 179.493 177.584 -0.069 0.000 1.633 502 A CA 1.115 53.096 52.037 -0.094 0.000 1.290 502 A CB -0.880 18.095 19.000 -0.043 0.000 1.048 502 A HN 2.151 nan 8.150 nan 0.000 0.648 503 A N 0.579 123.318 122.820 -0.135 0.000 2.014 503 A HA -0.090 4.233 4.320 0.005 0.000 0.218 503 A C 2.084 179.685 177.584 0.028 0.000 1.163 503 A CA 0.890 52.898 52.037 -0.048 0.000 0.652 503 A CB -0.270 18.641 19.000 -0.149 0.000 0.808 503 A HN 0.649 nan 8.150 nan 0.000 0.449 504 R N -0.839 119.631 120.500 -0.050 0.000 2.285 504 R HA -0.028 4.315 4.340 0.005 0.000 0.213 504 R C 1.978 178.197 176.300 -0.135 0.000 1.068 504 R CA 0.944 57.005 56.100 -0.066 0.000 1.004 504 R CB -0.215 30.045 30.300 -0.067 0.000 0.873 504 R HN 0.488 nan 8.270 nan 0.000 0.467 505 R N 0.035 120.384 120.500 -0.252 0.000 2.316 505 R HA -0.092 4.251 4.340 0.005 0.000 0.202 505 R C 0.102 175.936 176.300 -0.776 0.000 1.029 505 R CA 1.003 56.771 56.100 -0.554 0.000 1.018 505 R CB 0.303 30.142 30.300 -0.768 0.000 0.888 505 R HN 0.219 nan 8.270 nan 0.000 0.471 506 Y N -1.781 118.478 120.300 -0.068 0.000 2.721 506 Y HA 0.452 5.005 4.550 0.005 0.000 0.251 506 Y C 0.502 176.376 175.900 -0.043 0.000 1.136 506 Y CA -0.038 58.028 58.100 -0.056 0.000 1.142 506 Y CB 1.493 39.916 38.460 -0.062 0.000 1.212 506 Y HN 0.144 nan 8.280 nan 0.000 0.565 507 G N 0.169 108.991 108.800 0.036 0.000 2.320 507 G HA2 -0.003 3.960 3.960 0.005 0.000 0.274 507 G HA3 -0.003 3.960 3.960 0.005 0.000 0.274 507 G C -1.837 173.068 174.900 0.007 0.000 1.324 507 G CA -1.134 43.981 45.100 0.025 0.000 0.957 507 G HN -0.037 nan 8.290 nan 0.000 0.481 508 N N 0.253 118.964 118.700 0.018 0.000 2.292 508 N HA 0.454 5.197 4.740 0.005 0.000 0.303 508 N C -0.457 175.058 175.510 0.009 0.000 1.140 508 N CA -0.610 52.448 53.050 0.014 0.000 0.788 508 N CB 2.089 40.599 38.487 0.039 0.000 1.361 508 N HN 0.779 nan 8.380 nan 0.000 0.489 509 Q N 0.970 120.766 119.800 -0.008 0.000 2.297 509 Q HA 0.182 4.525 4.340 0.005 0.000 0.267 509 Q C 0.442 176.436 176.000 -0.010 0.000 1.006 509 Q CA -0.142 55.648 55.803 -0.022 0.000 0.896 509 Q CB 0.568 29.281 28.738 -0.042 0.000 1.186 509 Q HN 0.584 nan 8.270 nan 0.000 0.392 510 V N 0.736 120.642 119.914 -0.014 0.000 3.528 510 V HA 0.613 4.736 4.120 0.005 0.000 0.294 510 V C 0.393 176.470 176.094 -0.028 0.000 1.404 510 V CA 0.410 62.704 62.300 -0.011 0.000 1.065 510 V CB 0.272 32.092 31.823 -0.004 0.000 0.904 510 V HN 0.714 nan 8.190 nan 0.000 0.435 511 G N -0.088 108.686 108.800 -0.044 0.000 2.368 511 G HA2 0.476 4.439 3.960 0.005 0.000 0.293 511 G HA3 0.476 4.439 3.960 0.005 0.000 0.293 511 G C -1.710 173.137 174.900 -0.088 0.000 1.467 511 G CA -0.911 44.157 45.100 -0.053 0.000 0.804 511 G HN 0.216 nan 8.290 nan 0.000 0.535 512 E N 1.493 121.624 120.200 -0.115 0.000 2.480 512 E HA 0.293 4.646 4.350 0.005 0.000 0.258 512 E C 0.264 176.700 176.600 -0.273 0.000 0.984 512 E CA 0.283 56.500 56.400 -0.304 0.000 0.930 512 E CB -0.034 29.466 29.700 -0.332 0.000 0.936 512 E HN 0.604 nan 8.360 nan 0.000 0.466 513 H N -0.077 118.936 119.070 -0.094 0.000 2.958 513 H HA -0.159 4.400 4.556 0.005 0.000 0.274 513 H C -0.603 174.590 175.328 -0.226 0.000 1.184 513 H CA 1.322 57.220 56.048 -0.250 0.000 1.143 513 H CB -2.197 27.470 29.762 -0.158 0.000 1.297 513 H HN 0.430 nan 8.280 nan 0.000 0.356 514 T N 1.236 115.751 114.554 -0.064 0.000 2.881 514 T HA 0.523 4.876 4.350 0.005 0.000 0.291 514 T C 0.168 174.850 174.700 -0.031 0.000 0.990 514 T CA -0.691 61.395 62.100 -0.023 0.000 0.976 514 T CB 2.263 71.125 68.868 -0.009 0.000 0.970 514 T HN 0.181 nan 8.240 nan 0.000 0.438 515 L N 2.807 124.025 121.223 -0.008 0.000 2.325 515 L HA 0.843 5.186 4.340 0.005 0.000 0.278 515 L C 0.344 177.234 176.870 0.034 0.000 1.023 515 L CA -0.082 54.760 54.840 0.003 0.000 0.811 515 L CB 1.329 43.388 42.059 -0.000 0.000 1.249 515 L HN 0.729 nan 8.230 nan 0.000 0.431 516 G N 4.831 113.652 108.800 0.034 0.000 2.571 516 G HA2 0.479 4.442 3.960 0.005 0.000 0.327 516 G HA3 0.479 4.442 3.960 0.005 0.000 0.327 516 G C -2.699 172.240 174.900 0.065 0.000 1.008 516 G CA -1.075 44.055 45.100 0.049 0.000 1.136 516 G HN 0.509 nan 8.290 nan 0.000 0.444 517 P HA 0.129 nan 4.420 nan 0.000 0.271 517 P C 0.679 178.073 177.300 0.158 0.000 1.218 517 P CA -0.178 63.007 63.100 0.142 0.000 0.780 517 P CB 1.351 33.159 31.700 0.179 0.000 0.901 518 V N 1.833 121.801 119.914 0.089 0.000 2.872 518 V HA 0.268 4.391 4.120 0.005 0.000 0.307 518 V C 0.596 176.638 176.094 -0.087 0.000 1.072 518 V CA 0.337 62.621 62.300 -0.027 0.000 1.148 518 V CB -0.637 31.164 31.823 -0.037 0.000 0.954 518 V HN 0.887 nan 8.190 nan 0.000 0.490 519 H N 0.971 119.785 119.070 -0.427 0.000 3.068 519 H HA 0.594 5.152 4.556 0.005 0.000 0.342 519 H C -0.843 174.137 175.328 -0.580 0.000 1.284 519 H CA -0.241 55.387 56.048 -0.699 0.000 1.181 519 H CB 1.460 30.352 29.762 -1.450 0.000 1.898 519 H HN 0.807 nan 8.280 nan 0.000 0.540 520 T N -0.149 114.095 114.554 -0.517 0.000 2.855 520 T HA 0.382 4.735 4.350 0.005 0.000 0.281 520 T C -0.508 173.876 174.700 -0.527 0.000 1.007 520 T CA -0.800 61.007 62.100 -0.488 0.000 1.009 520 T CB 1.678 70.388 68.868 -0.263 0.000 0.983 520 T HN 0.624 nan 8.240 nan 0.000 0.455 521 H N 1.239 120.055 119.070 -0.423 0.000 2.463 521 H HA 0.715 5.274 4.556 0.005 0.000 0.332 521 H C -0.332 174.958 175.328 -0.064 0.000 1.127 521 H CA -0.646 55.262 56.048 -0.233 0.000 1.238 521 H CB 1.894 31.423 29.762 -0.388 0.000 1.478 521 H HN 0.697 nan 8.280 nan 0.000 0.499 522 S N 0.489 116.332 115.700 0.237 0.000 2.556 522 S HA 0.730 5.202 4.470 0.005 0.000 0.271 522 S C -0.982 173.842 174.600 0.374 0.000 1.135 522 S CA -0.733 57.668 58.200 0.335 0.000 0.858 522 S CB 2.512 65.917 63.200 0.342 0.000 1.114 522 S HN 0.845 nan 8.310 nan 0.000 0.468 523 A N 1.641 124.660 122.820 0.331 0.000 2.515 523 A HA 0.755 5.078 4.320 0.005 0.000 0.298 523 A C -1.555 175.936 177.584 -0.155 0.000 1.059 523 A CA -0.511 51.530 52.037 0.007 0.000 0.698 523 A CB 1.305 20.325 19.000 0.034 0.000 1.289 523 A HN 0.856 nan 8.150 nan 0.000 0.404 524 H N 0.887 119.474 119.070 -0.804 0.000 2.489 524 H HA 0.599 5.158 4.556 0.005 0.000 0.343 524 H C -1.746 173.196 175.328 -0.643 0.000 1.086 524 H CA -0.157 55.448 56.048 -0.738 0.000 1.198 524 H CB 1.187 30.130 29.762 -1.364 0.000 1.490 524 H HN 0.651 nan 8.280 nan 0.000 0.504 525 Y N 2.377 122.382 120.300 -0.491 0.000 2.446 525 Y HA 0.195 4.747 4.550 0.004 0.000 0.345 525 Y C 0.108 175.768 175.900 -0.401 0.000 0.984 525 Y CA -0.846 57.058 58.100 -0.327 0.000 1.058 525 Y CB 1.744 40.121 38.460 -0.139 0.000 1.220 525 Y HN 0.403 nan 8.280 nan 0.000 0.455 526 K N 2.851 123.150 120.400 -0.167 0.000 2.264 526 K HA 0.525 4.848 4.320 0.005 0.000 0.277 526 K C -1.581 174.809 176.600 -0.351 0.000 1.067 526 K CA -0.367 55.645 56.287 -0.458 0.000 0.900 526 K CB 0.612 32.852 32.500 -0.433 0.000 1.124 526 K HN 0.573 nan 8.250 nan 0.000 0.469 527 V N 4.341 124.009 119.914 -0.409 0.000 2.220 527 V HA 0.039 4.162 4.120 0.005 0.000 0.265 527 V C -0.280 175.677 176.094 -0.229 0.000 1.078 527 V CA -0.792 61.365 62.300 -0.238 0.000 0.872 527 V CB 0.545 32.265 31.823 -0.171 0.000 1.121 527 V HN 0.721 nan 8.190 nan 0.000 0.460 528 D N 4.074 124.359 120.400 -0.190 0.000 2.551 528 D HA 0.187 4.830 4.640 0.005 0.000 0.223 528 D C 0.283 176.570 176.300 -0.020 0.000 1.144 528 D CA 0.049 53.989 54.000 -0.099 0.000 1.025 528 D CB 0.035 40.833 40.800 -0.004 0.000 1.085 528 D HN 0.423 nan 8.370 nan 0.000 0.506 529 L N 1.991 123.196 121.223 -0.029 0.000 2.453 529 L HA 0.147 4.490 4.340 0.005 0.000 0.272 529 L C 0.376 177.269 176.870 0.038 0.000 1.182 529 L CA 0.189 55.028 54.840 -0.001 0.000 0.858 529 L CB 0.604 42.673 42.059 0.017 0.000 1.120 529 L HN 0.127 nan 8.230 nan 0.000 0.474 530 D N 2.371 122.803 120.400 0.053 0.000 2.517 530 D HA 0.180 4.823 4.640 0.005 0.000 0.301 530 D C -0.478 175.893 176.300 0.119 0.000 1.202 530 D CA -0.191 53.862 54.000 0.090 0.000 0.910 530 D CB 1.088 41.954 40.800 0.110 0.000 1.021 530 D HN 0.030 nan 8.370 nan 0.000 0.499 531 V N 0.927 120.932 119.914 0.151 0.000 2.425 531 V HA 0.304 4.427 4.120 0.005 0.000 0.276 531 V C 1.607 177.885 176.094 0.307 0.000 1.017 531 V CA 0.364 62.814 62.300 0.250 0.000 1.062 531 V CB 0.411 32.428 31.823 0.323 0.000 0.997 531 V HN 0.754 nan 8.190 nan 0.000 0.476 532 G N 3.615 112.616 108.800 0.335 0.000 2.221 532 G HA2 0.158 4.121 3.960 0.005 0.000 0.265 532 G HA3 0.158 4.121 3.960 0.005 0.000 0.265 532 G C 0.758 175.766 174.900 0.180 0.000 1.041 532 G CA 0.262 45.502 45.100 0.233 0.000 0.807 532 G HN 2.235 nan 8.290 nan 0.000 0.502 533 G N -2.333 106.567 108.800 0.167 0.000 2.483 533 G HA2 0.166 4.129 3.960 0.005 0.000 0.521 533 G HA3 0.166 4.129 3.960 0.005 0.000 0.521 533 G C 0.431 175.399 174.900 0.114 0.000 1.278 533 G CA -0.045 45.132 45.100 0.129 0.000 0.965 533 G HN 1.078 nan 8.290 nan 0.000 0.504 534 L N 0.910 122.179 121.223 0.076 0.000 1.976 534 L HA 0.153 4.496 4.340 0.005 0.000 0.209 534 L C 1.839 178.721 176.870 0.019 0.000 1.071 534 L CA 2.338 57.199 54.840 0.034 0.000 0.746 534 L CB -0.846 41.215 42.059 0.003 0.000 0.890 534 L HN 0.778 nan 8.230 nan 0.000 0.432 535 E N 0.861 121.075 120.200 0.025 0.000 2.491 535 E HA -0.044 4.309 4.350 0.005 0.000 0.250 535 E C -0.396 176.202 176.600 -0.003 0.000 1.061 535 E CA 0.241 56.607 56.400 -0.056 0.000 0.942 535 E CB -0.184 29.532 29.700 0.027 0.000 0.957 535 E HN 0.363 nan 8.360 nan 0.000 0.480 536 N N 3.780 122.366 118.700 -0.191 0.000 2.265 536 N HA 0.369 5.111 4.740 0.005 0.000 0.300 536 N C -1.073 174.315 175.510 -0.203 0.000 1.148 536 N CA -0.811 52.248 53.050 0.013 0.000 0.772 536 N CB 1.267 39.791 38.487 0.061 0.000 1.434 536 N HN 0.359 nan 8.380 nan 0.000 0.481 537 W N 0.828 122.151 121.300 0.039 0.000 2.850 537 W HA 0.578 5.240 4.660 0.002 0.000 0.349 537 W C -0.795 175.651 176.519 -0.121 0.000 1.133 537 W CA -0.606 56.692 57.345 -0.079 0.000 1.117 537 W CB 1.628 31.012 29.460 -0.125 0.000 1.442 537 W HN 0.037 nan 8.180 nan 0.000 0.575 538 V N 0.713 120.589 119.914 -0.064 0.000 2.540 538 V HA 0.392 4.515 4.120 0.005 0.000 0.302 538 V C -1.238 174.639 176.094 -0.362 0.000 1.035 538 V CA -0.568 61.664 62.300 -0.113 0.000 0.873 538 V CB 1.592 33.398 31.823 -0.028 0.000 0.992 538 V HN 0.448 nan 8.190 nan 0.000 0.428 539 W N 2.063 123.232 121.300 -0.218 0.000 2.761 539 W HA 0.774 5.436 4.660 0.003 0.000 0.340 539 W C -0.162 176.275 176.519 -0.137 0.000 1.072 539 W CA -0.714 56.460 57.345 -0.284 0.000 1.215 539 W CB 2.153 31.169 29.460 -0.740 0.000 1.420 539 W HN 0.609 nan 8.180 nan 0.000 0.519 540 A N 2.516 125.508 122.820 0.286 0.000 2.483 540 A HA 0.558 4.881 4.320 0.005 0.000 0.308 540 A C -0.853 176.881 177.584 0.250 0.000 1.291 540 A CA -0.609 51.568 52.037 0.233 0.000 0.774 540 A CB 0.320 19.448 19.000 0.214 0.000 1.134 540 A HN 0.644 nan 8.150 nan 0.000 0.471 541 E N 1.507 121.862 120.200 0.258 0.000 2.191 541 E HA 0.530 4.883 4.350 0.005 0.000 0.274 541 E C -1.059 175.628 176.600 0.146 0.000 0.948 541 E CA -0.661 55.858 56.400 0.199 0.000 0.802 541 E CB 2.072 31.892 29.700 0.199 0.000 1.137 541 E HN 0.673 nan 8.360 nan 0.000 0.397 542 D N 0.987 121.438 120.400 0.084 0.000 2.921 542 D HA 0.355 4.998 4.640 0.005 0.000 0.329 542 D C -1.194 175.109 176.300 0.004 0.000 1.293 542 D CA -0.473 53.567 54.000 0.066 0.000 0.964 542 D CB 1.568 42.411 40.800 0.070 0.000 1.435 542 D HN 0.426 nan 8.370 nan 0.000 0.548 543 M N -0.081 119.514 119.600 -0.008 0.000 2.724 543 M HA 0.887 5.370 4.480 0.005 0.000 0.310 543 M C -1.117 175.135 176.300 -0.080 0.000 1.217 543 M CA -0.765 54.486 55.300 -0.082 0.000 0.894 543 M CB 2.564 35.096 32.600 -0.114 0.000 1.719 543 M HN 0.291 nan 8.290 nan 0.000 0.479 544 A N 1.109 123.821 122.820 -0.180 0.000 2.589 544 A HA 0.793 5.116 4.320 0.005 0.000 0.296 544 A C -2.114 175.312 177.584 -0.264 0.000 1.062 544 A CA -0.626 51.344 52.037 -0.111 0.000 0.686 544 A CB 1.248 20.232 19.000 -0.027 0.000 1.282 544 A HN 0.781 nan 8.150 nan 0.000 0.404 545 F N 1.153 121.111 119.950 0.014 0.000 2.426 545 F HA 0.571 5.101 4.527 0.005 0.000 0.348 545 F C 0.038 175.843 175.800 0.008 0.000 1.124 545 F CA -0.465 57.540 58.000 0.009 0.000 1.008 545 F CB 2.273 41.278 39.000 0.008 0.000 1.139 545 F HN 0.297 nan 8.300 nan 0.000 0.452 546 V N 5.620 125.624 119.914 0.151 0.000 2.444 546 V HA 0.373 4.496 4.120 0.005 0.000 0.294 546 V C -2.209 173.933 176.094 0.081 0.000 1.022 546 V CA -2.093 60.262 62.300 0.092 0.000 0.850 546 V CB 1.934 33.784 31.823 0.045 0.000 0.992 546 V HN 0.452 nan 8.190 nan 0.000 0.426 547 P HA 0.185 nan 4.420 nan 0.000 0.269 547 P C -0.296 177.012 177.300 0.014 0.000 1.252 547 P CA 0.371 63.493 63.100 0.037 0.000 0.780 547 P CB 0.586 32.300 31.700 0.024 0.000 0.829 548 T N 0.481 115.036 114.554 0.001 0.000 2.906 548 T HA 0.697 5.050 4.350 0.005 0.000 0.295 548 T C -0.360 174.310 174.700 -0.049 0.000 1.075 548 T CA -0.966 61.121 62.100 -0.021 0.000 1.005 548 T CB 1.571 70.427 68.868 -0.020 0.000 1.136 548 T HN 0.299 nan 8.240 nan 0.000 0.498 549 A N 2.495 125.277 122.820 -0.063 0.000 2.425 549 A HA 0.587 4.909 4.320 0.005 0.000 0.249 549 A C 0.594 178.077 177.584 -0.168 0.000 1.084 549 A CA -0.754 51.227 52.037 -0.094 0.000 0.781 549 A CB -0.479 18.476 19.000 -0.076 0.000 1.019 549 A HN 0.876 nan 8.150 nan 0.000 0.490 550 I N 3.798 124.215 120.570 -0.255 0.000 2.517 550 I HA 0.089 4.262 4.170 0.005 0.000 0.285 550 I C -1.476 174.335 176.117 -0.511 0.000 1.106 550 I CA -1.423 59.552 61.300 -0.542 0.000 1.402 550 I CB 1.021 38.576 38.000 -0.742 0.000 1.399 550 I HN 0.516 nan 8.210 nan 0.000 0.535 551 P HA -0.180 nan 4.420 nan 0.000 0.216 551 P C 1.038 178.327 177.300 -0.018 0.000 1.153 551 P CA 1.693 64.713 63.100 -0.133 0.000 0.858 551 P CB -0.013 31.718 31.700 0.051 0.000 0.789 552 W N -2.283 119.028 121.300 0.019 0.000 3.290 552 W HA 0.470 5.133 4.660 0.004 0.000 0.287 552 W C 0.236 176.772 176.519 0.028 0.000 1.288 552 W CA 0.044 57.398 57.345 0.016 0.000 1.725 552 W CB -0.474 28.988 29.460 0.005 0.000 1.103 552 W HN -0.157 nan 8.180 nan 0.000 0.670 553 S N 0.818 116.385 115.700 -0.221 0.000 2.605 553 S HA 0.251 4.724 4.470 0.005 0.000 0.142 553 S C -1.985 172.578 174.600 -0.062 0.000 1.452 553 S CA -0.791 57.370 58.200 -0.065 0.000 1.240 553 S CB 0.173 63.337 63.200 -0.061 0.000 1.538 553 S HN -0.224 nan 8.310 nan 0.000 0.394 554 P HA -0.077 nan 4.420 nan 0.000 0.223 554 P C 0.669 177.935 177.300 -0.057 0.000 1.144 554 P CA 1.040 64.103 63.100 -0.062 0.000 0.783 554 P CB 0.076 31.755 31.700 -0.037 0.000 0.771 555 E N -2.241 117.931 120.200 -0.046 0.000 2.427 555 E HA -0.068 4.285 4.350 0.005 0.000 0.196 555 E C 0.186 176.610 176.600 -0.294 0.000 1.028 555 E CA 0.726 57.035 56.400 -0.150 0.000 0.864 555 E CB -0.709 28.888 29.700 -0.171 0.000 0.813 555 E HN 0.488 nan 8.360 nan 0.000 0.514 556 H N -0.058 118.961 119.070 -0.085 0.000 2.573 556 H HA 0.403 4.961 4.556 0.005 0.000 0.351 556 H C -0.124 175.137 175.328 -0.111 0.000 1.163 556 H CA -0.707 55.289 56.048 -0.087 0.000 1.205 556 H CB 1.118 30.826 29.762 -0.090 0.000 1.605 556 H HN -0.104 nan 8.280 nan 0.000 0.525 557 Q N 1.188 121.007 119.800 0.033 0.000 2.297 557 Q HA 0.543 4.886 4.340 0.005 0.000 0.269 557 Q C -0.920 175.073 176.000 -0.011 0.000 1.051 557 Q CA -1.053 54.741 55.803 -0.016 0.000 0.869 557 Q CB 3.354 32.082 28.738 -0.017 0.000 1.346 557 Q HN 0.538 nan 8.270 nan 0.000 0.457 558 I N 0.624 121.182 120.570 -0.019 0.000 2.586 558 I HA 0.105 4.277 4.170 0.005 0.000 0.288 558 I C -1.057 175.088 176.117 0.046 0.000 1.147 558 I CA -0.638 60.664 61.300 0.004 0.000 1.047 558 I CB 1.833 39.818 38.000 -0.024 0.000 1.244 558 I HN 0.477 nan 8.210 nan 0.000 0.429 559 Q N 7.095 126.942 119.800 0.079 0.000 2.388 559 Q HA 0.143 4.486 4.340 0.005 0.000 0.246 559 Q C -0.517 175.679 176.000 0.327 0.000 1.246 559 Q CA -0.001 55.908 55.803 0.176 0.000 0.895 559 Q CB -0.038 28.749 28.738 0.081 0.000 1.510 559 Q HN 0.405 nan 8.270 nan 0.000 0.503 560 R N 2.085 122.697 120.500 0.186 0.000 2.404 560 R HA 0.080 4.423 4.340 0.005 0.000 0.315 560 R C 0.175 176.473 176.300 -0.005 0.000 1.032 560 R CA -0.518 55.641 56.100 0.099 0.000 0.992 560 R CB -0.091 30.229 30.300 0.033 0.000 0.959 560 R HN 0.348 nan 8.270 nan 0.000 0.428 561 L N 4.560 125.706 121.223 -0.129 0.000 2.367 561 L HA 0.092 4.435 4.340 0.005 0.000 0.275 561 L C 0.182 176.889 176.870 -0.272 0.000 1.129 561 L CA 0.642 55.179 54.840 -0.505 0.000 0.839 561 L CB 0.513 42.288 42.059 -0.472 0.000 1.133 561 L HN 0.647 nan 8.230 nan 0.000 0.453 562 Q N 3.259 122.891 119.800 -0.281 0.000 2.565 562 Q HA 0.620 4.962 4.340 0.005 0.000 0.294 562 Q C -1.779 174.136 176.000 -0.141 0.000 1.005 562 Q CA -1.154 54.555 55.803 -0.157 0.000 0.771 562 Q CB 1.661 30.342 28.738 -0.095 0.000 1.486 562 Q HN 0.326 nan 8.270 nan 0.000 0.422 563 V N 1.818 121.674 119.914 -0.096 0.000 2.439 563 V HA 0.447 4.570 4.120 0.005 0.000 0.282 563 V C 0.041 176.117 176.094 -0.029 0.000 1.039 563 V CA -0.192 62.062 62.300 -0.077 0.000 0.913 563 V CB 1.273 33.043 31.823 -0.088 0.000 0.983 563 V HN 0.917 nan 8.190 nan 0.000 0.460 564 T N 3.481 118.034 114.554 -0.003 0.000 2.867 564 T HA 0.773 5.126 4.350 0.005 0.000 0.282 564 T C -0.420 174.332 174.700 0.086 0.000 1.000 564 T CA -0.912 61.213 62.100 0.042 0.000 1.042 564 T CB 1.343 70.241 68.868 0.051 0.000 0.973 564 T HN 0.635 nan 8.240 nan 0.000 0.465 565 R N 1.487 122.062 120.500 0.125 0.000 2.686 565 R HA 0.714 5.057 4.340 0.005 0.000 0.283 565 R C -0.979 175.500 176.300 0.297 0.000 0.978 565 R CA -1.145 55.083 56.100 0.213 0.000 0.897 565 R CB 1.965 32.353 30.300 0.147 0.000 1.192 565 R HN 0.448 nan 8.270 nan 0.000 0.457 566 K N 2.128 122.773 120.400 0.409 0.000 2.565 566 K HA 0.133 4.455 4.320 0.005 0.000 0.251 566 K C -1.584 175.139 176.600 0.205 0.000 0.956 566 K CA -0.510 55.959 56.287 0.304 0.000 0.809 566 K CB 2.463 35.068 32.500 0.176 0.000 1.267 566 K HN 0.674 nan 8.250 nan 0.000 0.438 567 Q N 4.505 124.231 119.800 -0.124 0.000 2.314 567 Q HA 0.216 4.559 4.340 0.005 0.000 0.257 567 Q C -0.557 175.278 176.000 -0.275 0.000 0.975 567 Q CA -0.787 54.621 55.803 -0.658 0.000 0.933 567 Q CB 0.680 28.788 28.738 -1.050 0.000 1.195 567 Q HN 0.326 nan 8.270 nan 0.000 0.426 568 L N 4.050 125.145 121.223 -0.214 0.000 2.416 568 L HA 0.034 4.377 4.340 0.005 0.000 0.272 568 L C 1.179 177.985 176.870 -0.107 0.000 1.161 568 L CA 0.791 55.571 54.840 -0.100 0.000 0.845 568 L CB 0.766 42.798 42.059 -0.045 0.000 1.119 568 L HN 0.742 nan 8.230 nan 0.000 0.464 569 E N 0.589 120.746 120.200 -0.073 0.000 2.290 569 E HA 0.078 4.431 4.350 0.005 0.000 0.199 569 E C 0.389 176.949 176.600 -0.066 0.000 0.912 569 E CA 0.575 56.938 56.400 -0.061 0.000 0.924 569 E CB 0.465 30.142 29.700 -0.038 0.000 0.901 569 E HN 0.729 nan 8.360 nan 0.000 0.487 570 T N -1.870 112.646 114.554 -0.064 0.000 2.930 570 T HA 0.359 4.711 4.350 0.005 0.000 0.290 570 T C 0.865 175.517 174.700 -0.081 0.000 1.052 570 T CA -0.710 61.350 62.100 -0.067 0.000 1.017 570 T CB 2.398 71.231 68.868 -0.057 0.000 1.137 570 T HN -0.210 nan 8.240 nan 0.000 0.511 571 E N 0.274 120.426 120.200 -0.080 0.000 2.118 571 E HA -0.192 4.161 4.350 0.005 0.000 0.195 571 E C 1.705 178.224 176.600 -0.135 0.000 0.992 571 E CA 1.358 57.703 56.400 -0.092 0.000 0.804 571 E CB -0.058 29.593 29.700 -0.082 0.000 0.741 571 E HN 0.707 nan 8.360 nan 0.000 0.458 572 E N 0.761 120.890 120.200 -0.118 0.000 2.118 572 E HA -0.194 4.159 4.350 0.005 0.000 0.195 572 E C 1.901 178.402 176.600 -0.164 0.000 0.992 572 E CA 1.088 57.412 56.400 -0.126 0.000 0.804 572 E CB -0.006 29.646 29.700 -0.080 0.000 0.741 572 E HN 0.275 nan 8.360 nan 0.000 0.458 573 Q N -0.946 118.764 119.800 -0.149 0.000 2.224 573 Q HA 0.028 4.370 4.340 0.005 0.000 0.203 573 Q C 1.202 176.991 176.000 -0.352 0.000 0.970 573 Q CA 1.204 56.908 55.803 -0.165 0.000 0.865 573 Q CB 0.126 28.814 28.738 -0.082 0.000 0.922 573 Q HN 0.211 nan 8.270 nan 0.000 0.445 574 A N 0.048 122.650 122.820 -0.363 0.000 2.507 574 A HA 0.510 4.833 4.320 0.005 0.000 0.270 574 A C 0.265 177.454 177.584 -0.659 0.000 1.318 574 A CA -0.123 51.610 52.037 -0.507 0.000 0.924 574 A CB 0.285 19.222 19.000 -0.105 0.000 1.061 574 A HN 0.182 nan 8.150 nan 0.000 0.516 575 A N 0.364 122.790 122.820 -0.656 0.000 2.280 575 A HA 0.673 4.996 4.320 0.005 0.000 0.320 575 A C -0.950 176.422 177.584 -0.352 0.000 1.366 575 A CA -0.322 51.447 52.037 -0.447 0.000 0.938 575 A CB -0.374 18.387 19.000 -0.399 0.000 1.157 575 A HN 0.262 nan 8.150 nan 0.000 0.536 576 F N 3.690 123.760 119.950 0.199 0.000 2.361 576 F HA 0.398 4.928 4.527 0.004 0.000 0.364 576 F C -2.202 173.769 175.800 0.284 0.000 1.120 576 F CA -2.579 55.547 58.000 0.210 0.000 1.102 576 F CB 1.410 40.501 39.000 0.151 0.000 1.183 576 F HN 0.342 nan 8.300 nan 0.000 0.476 577 P HA -0.008 nan 4.420 nan 0.000 0.267 577 P C -0.227 177.186 177.300 0.188 0.000 1.205 577 P CA -0.179 63.058 63.100 0.229 0.000 0.765 577 P CB 0.625 32.412 31.700 0.145 0.000 0.828 578 L N 3.659 124.959 121.223 0.128 0.000 2.540 578 L HA 0.258 4.600 4.340 0.005 0.000 0.276 578 L C 1.481 178.400 176.870 0.080 0.000 1.212 578 L CA 1.959 56.866 54.840 0.113 0.000 0.893 578 L CB -0.818 41.288 42.059 0.078 0.000 1.138 578 L HN 0.793 nan 8.230 nan 0.000 0.491 579 G N 2.225 111.078 108.800 0.088 0.000 2.175 579 G HA2 -0.186 3.776 3.960 0.005 0.000 0.244 579 G HA3 -0.186 3.776 3.960 0.005 0.000 0.244 579 G C 0.373 175.315 174.900 0.070 0.000 0.982 579 G CA 0.025 45.166 45.100 0.069 0.000 0.641 579 G HN 1.179 nan 8.290 nan 0.000 0.527 580 G N -0.687 108.168 108.800 0.091 0.000 2.887 580 G HA2 0.872 4.834 3.960 0.005 0.000 0.277 580 G HA3 0.872 4.834 3.960 0.005 0.000 0.277 580 G C -0.133 174.820 174.900 0.088 0.000 1.346 580 G CA 0.104 45.261 45.100 0.095 0.000 1.058 580 G HN 1.496 nan 8.290 nan 0.000 0.535 581 A N -0.387 122.485 122.820 0.086 0.000 2.317 581 A HA 0.770 5.093 4.320 0.005 0.000 0.327 581 A C 0.091 177.700 177.584 0.041 0.000 1.178 581 A CA -0.379 51.689 52.037 0.051 0.000 0.817 581 A CB 1.152 20.179 19.000 0.044 0.000 1.189 581 A HN 0.725 nan 8.150 nan 0.000 0.489 582 S N 1.850 117.503 115.700 -0.079 0.000 2.664 582 S HA 0.696 5.169 4.470 0.005 0.000 0.304 582 S C -2.702 171.762 174.600 -0.227 0.000 1.099 582 S CA -1.119 56.890 58.200 -0.317 0.000 1.003 582 S CB 0.981 63.769 63.200 -0.687 0.000 1.092 582 S HN 0.613 nan 8.310 nan 0.000 0.525 583 P HA 0.189 nan 4.420 nan 0.000 0.264 583 P C 0.446 177.697 177.300 -0.081 0.000 1.183 583 P CA -0.030 63.023 63.100 -0.078 0.000 0.763 583 P CB 0.421 32.111 31.700 -0.017 0.000 0.807 584 R N 1.670 122.169 120.500 -0.001 0.000 2.127 584 R HA -0.115 4.228 4.340 0.005 0.000 0.238 584 R C 0.120 176.335 176.300 -0.141 0.000 1.134 584 R CA 1.393 57.471 56.100 -0.037 0.000 0.975 584 R CB -0.253 30.088 30.300 0.069 0.000 0.865 584 R HN 0.563 nan 8.270 nan 0.000 0.447 585 Y N 0.274 120.518 120.300 -0.094 0.000 2.712 585 Y HA 0.284 4.836 4.550 0.004 0.000 0.328 585 Y C -0.735 175.181 175.900 0.026 0.000 0.995 585 Y CA -0.796 57.232 58.100 -0.121 0.000 1.283 585 Y CB 1.197 39.504 38.460 -0.255 0.000 1.092 585 Y HN -0.082 nan 8.280 nan 0.000 0.519 586 L N 6.227 127.504 121.223 0.091 0.000 2.295 586 L HA 0.461 4.804 4.340 0.005 0.000 0.281 586 L C -1.249 175.760 176.870 0.232 0.000 1.018 586 L CA -0.714 54.204 54.840 0.130 0.000 0.841 586 L CB 0.048 42.099 42.059 -0.014 0.000 1.218 586 L HN 0.448 nan 8.230 nan 0.000 0.424 587 Y N 3.431 123.842 120.300 0.185 0.000 2.462 587 Y HA 0.748 5.301 4.550 0.004 0.000 0.346 587 Y C -1.422 174.676 175.900 0.331 0.000 0.976 587 Y CA -1.914 56.326 58.100 0.232 0.000 1.044 587 Y CB 0.858 39.461 38.460 0.238 0.000 1.230 587 Y HN 0.277 nan 8.280 nan 0.000 0.455 588 L N 3.895 125.337 121.223 0.366 0.000 2.305 588 L HA 0.738 5.080 4.340 0.005 0.000 0.281 588 L C 0.237 177.397 176.870 0.482 0.000 1.085 588 L CA -0.144 54.888 54.840 0.320 0.000 0.813 588 L CB 0.821 43.022 42.059 0.237 0.000 1.157 588 L HN 0.956 nan 8.230 nan 0.000 0.436 589 A N 2.337 125.465 122.820 0.514 0.000 2.354 589 A HA 0.805 5.128 4.320 0.005 0.000 0.321 589 A C -0.237 177.678 177.584 0.551 0.000 1.125 589 A CA -0.473 51.927 52.037 0.605 0.000 0.799 589 A CB 1.628 21.078 19.000 0.749 0.000 1.293 589 A HN 0.570 nan 8.150 nan 0.000 0.452 590 S N -0.782 115.193 115.700 0.459 0.000 2.681 590 S HA 0.334 4.806 4.470 0.005 0.000 0.270 590 S C 1.015 175.810 174.600 0.324 0.000 1.209 590 S CA -0.106 58.340 58.200 0.410 0.000 0.988 590 S CB 0.662 64.036 63.200 0.289 0.000 1.006 590 S HN 0.576 nan 8.310 nan 0.000 0.558 591 K N 0.941 121.541 120.400 0.335 0.000 2.057 591 K HA -0.062 4.261 4.320 0.005 0.000 0.207 591 K C 1.159 177.735 176.600 -0.040 0.000 1.049 591 K CA 1.249 57.564 56.287 0.046 0.000 0.931 591 K CB -0.552 32.093 32.500 0.241 0.000 0.714 591 K HN 0.753 nan 8.250 nan 0.000 0.440 592 Q N 0.239 120.064 119.800 0.041 0.000 2.237 592 Q HA 0.460 4.802 4.340 0.005 0.000 0.219 592 Q C -0.531 175.468 176.000 -0.001 0.000 0.999 592 Q CA -0.800 55.003 55.803 0.000 0.000 0.959 592 Q CB 1.434 30.171 28.738 -0.002 0.000 1.173 592 Q HN -0.054 nan 8.270 nan 0.000 0.527 593 S N 0.416 116.096 115.700 -0.034 0.000 2.715 593 S HA 0.384 4.857 4.470 0.005 0.000 0.307 593 S C -0.546 174.006 174.600 -0.080 0.000 1.119 593 S CA -0.872 57.304 58.200 -0.039 0.000 0.937 593 S CB 1.038 64.204 63.200 -0.056 0.000 1.150 593 S HN 0.857 nan 8.310 nan 0.000 0.521 594 N N 1.126 119.777 118.700 -0.081 0.000 2.381 594 N HA 0.140 4.883 4.740 0.005 0.000 0.289 594 N C 0.646 176.015 175.510 -0.234 0.000 1.288 594 N CA -0.469 52.493 53.050 -0.147 0.000 0.960 594 N CB 0.019 38.447 38.487 -0.099 0.000 1.116 594 N HN 0.606 nan 8.380 nan 0.000 0.557 595 K N -0.942 119.197 120.400 -0.436 0.000 2.280 595 K HA -0.054 4.269 4.320 0.005 0.000 0.202 595 K C 0.490 176.679 176.600 -0.684 0.000 1.047 595 K CA 0.999 56.866 56.287 -0.700 0.000 0.942 595 K CB -0.125 31.710 32.500 -1.109 0.000 0.739 595 K HN 0.649 nan 8.250 nan 0.000 0.457 596 W N -0.470 120.797 121.300 -0.056 0.000 3.132 596 W HA 0.271 4.936 4.660 0.007 0.000 0.364 596 W C 0.928 177.326 176.519 -0.201 0.000 1.129 596 W CA -0.117 57.179 57.345 -0.082 0.000 1.815 596 W CB 0.860 30.312 29.460 -0.014 0.000 1.099 596 W HN 0.213 nan 8.180 nan 0.000 0.605 597 G N 0.312 109.077 108.800 -0.058 0.000 2.157 597 G HA2 -0.247 3.715 3.960 0.005 0.000 0.248 597 G HA3 -0.247 3.715 3.960 0.005 0.000 0.248 597 G C -0.086 174.660 174.900 -0.257 0.000 0.979 597 G CA -0.389 44.611 45.100 -0.165 0.000 0.650 597 G HN 0.362 nan 8.290 nan 0.000 0.529 598 H N 0.891 119.942 119.070 -0.031 0.000 2.517 598 H HA 0.353 4.912 4.556 0.004 0.000 0.317 598 H C -2.346 172.935 175.328 -0.079 0.000 1.080 598 H CA -1.957 54.036 56.048 -0.092 0.000 1.301 598 H CB 1.383 31.060 29.762 -0.141 0.000 1.425 598 H HN 0.049 nan 8.280 nan 0.000 0.471 599 P HA -0.054 nan 4.420 nan 0.000 0.258 599 P C -0.031 177.371 177.300 0.169 0.000 1.172 599 P CA 0.330 63.497 63.100 0.111 0.000 0.762 599 P CB 0.284 32.076 31.700 0.153 0.000 0.764 600 R N 2.782 123.372 120.500 0.150 0.000 2.473 600 R HA 0.353 4.696 4.340 0.005 0.000 0.315 600 R C 0.947 177.497 176.300 0.416 0.000 0.972 600 R CA 0.282 56.497 56.100 0.192 0.000 1.047 600 R CB -0.134 30.205 30.300 0.066 0.000 0.932 600 R HN 0.556 nan 8.270 nan 0.000 0.411 601 G N 1.961 111.022 108.800 0.436 0.000 2.612 601 G HA2 0.460 4.423 3.960 0.005 0.000 0.298 601 G HA3 0.460 4.423 3.960 0.005 0.000 0.298 601 G C -1.876 173.287 174.900 0.438 0.000 1.336 601 G CA -0.464 44.981 45.100 0.574 0.000 0.953 601 G HN 0.406 nan 8.290 nan 0.000 0.482 602 Y N 0.634 121.109 120.300 0.292 0.000 2.326 602 Y HA 0.494 5.047 4.550 0.005 0.000 0.331 602 Y C 0.700 176.730 175.900 0.217 0.000 0.962 602 Y CA -0.825 57.358 58.100 0.139 0.000 1.167 602 Y CB 1.726 40.178 38.460 -0.014 0.000 1.148 602 Y HN 0.728 nan 8.280 nan 0.000 0.463 603 R N 3.667 124.277 120.500 0.184 0.000 2.486 603 R HA 0.742 5.085 4.340 0.005 0.000 0.286 603 R C -1.519 174.855 176.300 0.124 0.000 0.999 603 R CA -0.493 55.706 56.100 0.164 0.000 0.993 603 R CB 1.016 31.312 30.300 -0.006 0.000 1.084 603 R HN 0.603 nan 8.270 nan 0.000 0.487 604 I N 2.346 122.984 120.570 0.113 0.000 2.321 604 I HA 0.208 4.381 4.170 0.005 0.000 0.291 604 I C -0.198 175.948 176.117 0.048 0.000 0.998 604 I CA -0.448 60.918 61.300 0.110 0.000 1.227 604 I CB 1.683 39.725 38.000 0.070 0.000 1.368 604 I HN 0.604 nan 8.210 nan 0.000 0.466 605 Q N 5.168 125.028 119.800 0.101 0.000 2.381 605 Q HA 0.254 4.596 4.340 0.005 0.000 0.263 605 Q C -0.413 175.670 176.000 0.138 0.000 1.030 605 Q CA -0.687 55.141 55.803 0.041 0.000 0.772 605 Q CB 1.470 30.189 28.738 -0.031 0.000 1.232 605 Q HN 0.765 nan 8.270 nan 0.000 0.476 606 T N -0.405 114.195 114.554 0.077 0.000 2.769 606 T HA 0.234 4.587 4.350 0.005 0.000 0.293 606 T C 0.102 174.858 174.700 0.093 0.000 0.931 606 T CA -0.508 61.661 62.100 0.117 0.000 1.139 606 T CB 0.471 69.379 68.868 0.067 0.000 0.881 606 T HN 0.233 nan 8.240 nan 0.000 0.532 607 V N 4.346 124.341 119.914 0.134 0.000 2.204 607 V HA 0.593 4.716 4.120 0.005 0.000 0.264 607 V C 0.283 176.389 176.094 0.021 0.000 1.106 607 V CA -0.473 61.855 62.300 0.048 0.000 0.947 607 V CB -0.258 31.623 31.823 0.097 0.000 1.164 607 V HN 1.147 nan 8.190 nan 0.000 0.461 608 S N 3.877 119.567 115.700 -0.017 0.000 2.590 608 S HA 0.628 5.101 4.470 0.005 0.000 0.286 608 S C -0.630 174.020 174.600 0.084 0.000 1.147 608 S CA -0.652 57.610 58.200 0.103 0.000 0.963 608 S CB 0.682 64.018 63.200 0.228 0.000 1.124 608 S HN 0.244 nan 8.310 nan 0.000 0.458 609 F N 2.319 122.328 119.950 0.099 0.000 2.527 609 F HA 0.542 5.072 4.527 0.005 0.000 0.316 609 F C 1.327 177.206 175.800 0.133 0.000 1.258 609 F CA -0.194 57.866 58.000 0.100 0.000 1.314 609 F CB 0.488 39.555 39.000 0.113 0.000 1.200 609 F HN 0.784 nan 8.300 nan 0.000 0.577 610 A N 0.966 123.990 122.820 0.340 0.000 2.540 610 A HA 0.495 4.818 4.320 0.005 0.000 0.340 610 A C 1.211 178.879 177.584 0.140 0.000 1.424 610 A CA -0.092 52.072 52.037 0.212 0.000 0.940 610 A CB -0.267 18.827 19.000 0.155 0.000 1.149 610 A HN 0.983 nan 8.150 nan 0.000 0.505 611 G N 1.685 110.561 108.800 0.127 0.000 2.547 611 G HA2 0.242 4.205 3.960 0.005 0.000 0.221 611 G HA3 0.242 4.205 3.960 0.005 0.000 0.221 611 G C 1.133 176.034 174.900 0.003 0.000 1.140 611 G CA 0.881 45.995 45.100 0.023 0.000 0.760 611 G HN 2.312 nan 8.290 nan 0.000 0.583 612 G N -0.337 108.476 108.800 0.021 0.000 3.355 612 G HA2 0.182 4.145 3.960 0.005 0.000 0.686 612 G HA3 0.182 4.145 3.960 0.005 0.000 0.686 612 G C -2.188 172.700 174.900 -0.020 0.000 1.097 612 G CA -0.293 44.811 45.100 0.007 0.000 0.881 612 G HN 0.518 nan 8.290 nan 0.000 0.550 613 P HA 0.446 nan 4.420 nan 0.000 0.271 613 P C 0.324 177.594 177.300 -0.050 0.000 1.216 613 P CA -0.530 62.536 63.100 -0.056 0.000 0.776 613 P CB 0.962 32.615 31.700 -0.079 0.000 0.881 614 M N 4.888 124.465 119.600 -0.039 0.000 2.238 614 M HA 0.237 4.719 4.480 0.005 0.000 0.350 614 M C -2.286 173.973 176.300 -0.067 0.000 1.321 614 M CA -1.517 53.773 55.300 -0.016 0.000 1.097 614 M CB -0.492 32.165 32.600 0.094 0.000 1.713 614 M HN 0.150 nan 8.290 nan 0.000 0.455 615 P HA 0.006 nan 4.420 nan 0.000 0.266 615 P C -0.594 176.649 177.300 -0.096 0.000 1.195 615 P CA 0.214 63.275 63.100 -0.065 0.000 0.768 615 P CB 0.336 32.012 31.700 -0.040 0.000 0.838 616 Q N 1.222 120.957 119.800 -0.107 0.000 2.515 616 Q HA -0.083 4.259 4.340 0.005 0.000 0.212 616 Q C 0.868 176.809 176.000 -0.098 0.000 0.970 616 Q CA 0.525 56.249 55.803 -0.131 0.000 0.941 616 Q CB -0.239 28.426 28.738 -0.122 0.000 0.998 616 Q HN 0.422 nan 8.270 nan 0.000 0.518 617 N N 0.130 118.790 118.700 -0.068 0.000 2.457 617 N HA -0.053 4.690 4.740 0.005 0.000 0.180 617 N C 0.337 175.826 175.510 -0.034 0.000 1.050 617 N CA 0.301 53.325 53.050 -0.043 0.000 0.906 617 N CB 0.154 38.625 38.487 -0.027 0.000 0.968 617 N HN -0.008 nan 8.380 nan 0.000 0.445 618 S N 2.298 117.967 115.700 -0.051 0.000 2.515 618 S HA 0.076 4.549 4.470 0.005 0.000 0.285 618 S C -1.299 173.276 174.600 -0.042 0.000 1.265 618 S CA -1.238 56.942 58.200 -0.034 0.000 1.079 618 S CB 0.794 63.968 63.200 -0.045 0.000 0.877 618 S HN 0.106 nan 8.310 nan 0.000 0.493 619 P HA -0.121 nan 4.420 nan 0.000 0.226 619 P C 0.679 178.007 177.300 0.046 0.000 1.146 619 P CA 1.199 64.365 63.100 0.110 0.000 0.773 619 P CB -0.150 31.714 31.700 0.272 0.000 0.772 620 M N -3.832 115.700 119.600 -0.113 0.000 2.347 620 M HA 0.327 4.809 4.480 0.005 0.000 0.324 620 M C 1.575 177.593 176.300 -0.470 0.000 1.028 620 M CA -0.060 55.064 55.300 -0.293 0.000 0.988 620 M CB 0.239 32.586 32.600 -0.422 0.000 1.528 620 M HN -0.327 nan 8.290 nan 0.000 0.550 621 E N 2.476 122.349 120.200 -0.545 0.000 2.110 621 E HA -0.152 4.201 4.350 0.005 0.000 0.193 621 E C 1.677 177.700 176.600 -0.961 0.000 0.988 621 E CA 1.454 57.247 56.400 -1.012 0.000 0.804 621 E CB -0.014 29.358 29.700 -0.547 0.000 0.745 621 E HN 0.617 nan 8.360 nan 0.000 0.458 622 R N -0.053 120.141 120.500 -0.509 0.000 2.139 622 R HA -0.152 4.191 4.340 0.005 0.000 0.243 622 R C 2.394 178.508 176.300 -0.310 0.000 1.145 622 R CA 1.398 57.297 56.100 -0.335 0.000 0.976 622 R CB -0.334 29.857 30.300 -0.181 0.000 0.866 622 R HN 0.167 nan 8.270 nan 0.000 0.449 623 A N 0.845 123.469 122.820 -0.327 0.000 1.933 623 A HA -0.141 4.182 4.320 0.005 0.000 0.218 623 A C 1.094 178.681 177.584 0.006 0.000 1.175 623 A CA 1.154 53.130 52.037 -0.101 0.000 0.628 623 A CB -0.380 18.621 19.000 0.002 0.000 0.814 623 A HN 0.433 nan 8.150 nan 0.000 0.444 624 F N -0.848 118.962 119.950 -0.233 0.000 2.893 624 F HA 0.411 4.940 4.527 0.004 0.000 0.340 624 F C 1.102 176.442 175.800 -0.766 0.000 1.300 624 F CA -0.377 57.273 58.000 -0.583 0.000 1.227 624 F CB -0.804 37.794 39.000 -0.670 0.000 1.044 624 F HN 0.053 nan 8.300 nan 0.000 0.512 625 S N -0.267 115.161 115.700 -0.454 0.000 2.547 625 S HA -0.163 4.310 4.470 0.005 0.000 0.235 625 S C 1.515 176.033 174.600 -0.137 0.000 0.980 625 S CA 0.407 58.416 58.200 -0.319 0.000 0.941 625 S CB -0.958 62.152 63.200 -0.151 0.000 0.763 625 S HN 0.805 nan 8.310 nan 0.000 0.532 626 W N 1.622 122.850 121.300 -0.120 0.000 2.525 626 W HA 0.242 4.905 4.660 0.005 0.000 0.259 626 W C 1.517 177.934 176.519 -0.170 0.000 1.253 626 W CA 0.279 57.408 57.345 -0.361 0.000 1.262 626 W CB -1.180 27.447 29.460 -1.388 0.000 1.122 626 W HN 0.397 nan 8.180 nan 0.000 0.607 627 G N 1.334 109.763 108.800 -0.618 0.000 2.744 627 G HA2 -0.141 3.822 3.960 0.005 0.000 0.211 627 G HA3 -0.141 3.822 3.960 0.005 0.000 0.211 627 G C 1.771 176.518 174.900 -0.255 0.000 1.143 627 G CA -0.083 44.743 45.100 -0.456 0.000 0.788 627 G HN 0.236 nan 8.290 nan 0.000 0.534 628 R N -0.994 119.261 120.500 -0.409 0.000 2.148 628 R HA 0.055 4.397 4.340 0.005 0.000 0.223 628 R C -0.218 175.777 176.300 -0.508 0.000 1.088 628 R CA 0.494 56.235 56.100 -0.599 0.000 0.985 628 R CB -0.042 29.632 30.300 -1.043 0.000 0.880 628 R HN 0.472 nan 8.270 nan 0.000 0.451 629 Y N -0.648 119.743 120.300 0.151 0.000 2.393 629 Y HA 0.179 4.733 4.550 0.005 0.000 0.341 629 Y C 1.070 177.123 175.900 0.254 0.000 0.988 629 Y CA -1.010 57.221 58.100 0.218 0.000 1.078 629 Y CB 1.586 40.213 38.460 0.278 0.000 1.203 629 Y HN -0.268 nan 8.280 nan 0.000 0.453 630 Q N 1.659 121.688 119.800 0.381 0.000 2.172 630 Q HA 0.090 4.433 4.340 0.005 0.000 0.200 630 Q C -0.840 175.337 176.000 0.296 0.000 0.964 630 Q CA 1.080 57.061 55.803 0.296 0.000 0.855 630 Q CB 0.310 29.183 28.738 0.227 0.000 0.918 630 Q HN 0.642 nan 8.270 nan 0.000 0.444 631 L N -0.839 120.617 121.223 0.388 0.000 2.611 631 L HA 0.724 5.067 4.340 0.005 0.000 0.260 631 L C -2.221 174.906 176.870 0.430 0.000 0.924 631 L CA -0.218 54.831 54.840 0.348 0.000 0.901 631 L CB 1.674 43.888 42.059 0.258 0.000 1.369 631 L HN -0.074 nan 8.230 nan 0.000 0.415 632 A N 5.456 128.508 122.820 0.386 0.000 2.422 632 A HA 0.900 5.223 4.320 0.005 0.000 0.302 632 A C -1.512 176.313 177.584 0.401 0.000 1.041 632 A CA -0.504 51.715 52.037 0.303 0.000 0.708 632 A CB 1.425 20.562 19.000 0.228 0.000 1.257 632 A HN 0.532 nan 8.150 nan 0.000 0.414 633 I N 2.716 123.431 120.570 0.240 0.000 2.389 633 I HA 0.549 4.722 4.170 0.005 0.000 0.288 633 I C 0.233 176.464 176.117 0.191 0.000 0.999 633 I CA -0.106 61.326 61.300 0.219 0.000 1.129 633 I CB 1.058 39.134 38.000 0.126 0.000 1.288 633 I HN 0.819 nan 8.210 nan 0.000 0.444 634 T N 1.995 116.717 114.554 0.281 0.000 2.906 634 T HA 0.452 4.805 4.350 0.005 0.000 0.295 634 T C -0.367 174.417 174.700 0.139 0.000 1.075 634 T CA -0.942 61.286 62.100 0.213 0.000 1.005 634 T CB 1.926 70.990 68.868 0.327 0.000 1.136 634 T HN 0.473 nan 8.240 nan 0.000 0.498 635 Q N 1.244 121.076 119.800 0.054 0.000 2.255 635 Q HA 0.126 4.469 4.340 0.005 0.000 0.280 635 Q C 0.339 176.360 176.000 0.035 0.000 1.068 635 Q CA -0.039 55.769 55.803 0.007 0.000 0.911 635 Q CB 0.741 29.457 28.738 -0.036 0.000 1.157 635 Q HN 0.433 nan 8.270 nan 0.000 0.380 636 R N 3.031 123.545 120.500 0.024 0.000 2.522 636 R HA 0.050 4.393 4.340 0.005 0.000 0.284 636 R C -0.755 175.541 176.300 -0.006 0.000 1.032 636 R CA 0.636 56.756 56.100 0.034 0.000 1.049 636 R CB 0.433 30.733 30.300 0.000 0.000 0.956 636 R HN 0.446 nan 8.270 nan 0.000 0.422 637 K N 2.888 123.283 120.400 -0.008 0.000 2.426 637 K HA 0.084 4.407 4.320 0.005 0.000 0.251 637 K C -0.216 176.378 176.600 -0.011 0.000 0.941 637 K CA -0.772 55.490 56.287 -0.040 0.000 0.808 637 K CB 1.945 34.386 32.500 -0.099 0.000 1.265 637 K HN 0.423 nan 8.250 nan 0.000 0.432 638 E N 0.376 120.573 120.200 -0.005 0.000 2.418 638 E HA -0.090 4.262 4.350 0.005 0.000 0.197 638 E C 1.038 177.650 176.600 0.020 0.000 1.026 638 E CA 1.339 57.754 56.400 0.025 0.000 0.862 638 E CB 0.155 29.867 29.700 0.019 0.000 0.799 638 E HN 0.679 nan 8.360 nan 0.000 0.518 639 T N -2.726 111.814 114.554 -0.023 0.000 3.107 639 T HA 0.145 4.498 4.350 0.005 0.000 0.249 639 T C 0.429 175.087 174.700 -0.070 0.000 1.096 639 T CA -0.085 61.993 62.100 -0.038 0.000 1.012 639 T CB 0.042 68.875 68.868 -0.059 0.000 0.977 639 T HN -0.005 nan 8.240 nan 0.000 0.527 640 E N 1.932 122.073 120.200 -0.098 0.000 3.651 640 E HA 0.203 4.556 4.350 0.005 0.000 0.220 640 E C -2.018 174.687 176.600 0.176 0.000 1.222 640 E CA -1.667 54.614 56.400 -0.197 0.000 1.114 640 E CB 1.520 30.688 29.700 -0.886 0.000 1.278 640 E HN 0.261 nan 8.360 nan 0.000 0.412 641 P HA 0.034 nan 4.420 nan 0.000 0.226 641 P C 0.096 177.673 177.300 0.461 0.000 1.161 641 P CA 0.405 63.707 63.100 0.337 0.000 0.804 641 P CB 0.645 32.505 31.700 0.267 0.000 0.829 642 S N -0.998 115.007 115.700 0.508 0.000 2.569 642 S HA 0.300 4.772 4.470 0.005 0.000 0.280 642 S C 0.651 175.517 174.600 0.444 0.000 1.111 642 S CA -0.292 58.194 58.200 0.477 0.000 0.887 642 S CB 1.786 65.179 63.200 0.320 0.000 1.095 642 S HN 0.072 nan 8.310 nan 0.000 0.476 643 S N 0.024 115.864 115.700 0.234 0.000 2.558 643 S HA 0.286 4.759 4.470 0.005 0.000 0.217 643 S C 0.717 175.289 174.600 -0.045 0.000 0.975 643 S CA 0.244 58.382 58.200 -0.102 0.000 0.912 643 S CB 0.085 63.023 63.200 -0.437 0.000 0.776 643 S HN 0.508 nan 8.310 nan 0.000 0.526 644 S N -0.429 115.304 115.700 0.055 0.000 2.880 644 S HA 0.787 5.259 4.470 0.005 0.000 0.308 644 S C -1.374 173.305 174.600 0.133 0.000 1.195 644 S CA -0.220 58.041 58.200 0.101 0.000 0.866 644 S CB 1.506 64.750 63.200 0.072 0.000 1.254 644 S HN 0.415 nan 8.310 nan 0.000 0.571 645 S N -0.572 115.190 115.700 0.104 0.000 2.567 645 S HA 0.428 4.900 4.470 0.005 0.000 0.270 645 S C 0.452 175.005 174.600 -0.080 0.000 1.152 645 S CA -0.182 58.053 58.200 0.059 0.000 0.835 645 S CB 0.986 64.272 63.200 0.144 0.000 1.115 645 S HN 0.677 nan 8.310 nan 0.000 0.459 646 V N 2.681 122.390 119.914 -0.340 0.000 2.594 646 V HA -0.036 4.087 4.120 0.005 0.000 0.253 646 V C 1.492 177.272 176.094 -0.524 0.000 1.069 646 V CA 1.806 63.755 62.300 -0.586 0.000 1.082 646 V CB -0.977 30.130 31.823 -1.193 0.000 0.680 646 V HN 0.797 nan 8.190 nan 0.000 0.469 647 F N 0.377 120.248 119.950 -0.133 0.000 2.797 647 F HA 0.172 4.701 4.527 0.004 0.000 0.302 647 F C 1.952 177.694 175.800 -0.097 0.000 1.130 647 F CA 0.055 57.967 58.000 -0.146 0.000 1.387 647 F CB -0.823 38.070 39.000 -0.179 0.000 1.107 647 F HN 0.152 nan 8.300 nan 0.000 0.577 648 N N 0.191 118.925 118.700 0.057 0.000 2.250 648 N HA -0.137 4.606 4.740 0.005 0.000 0.181 648 N C 1.949 177.460 175.510 0.002 0.000 1.017 648 N CA 0.688 53.767 53.050 0.048 0.000 0.866 648 N CB -0.357 38.178 38.487 0.080 0.000 0.985 648 N HN 0.194 nan 8.380 nan 0.000 0.429 649 Q N 1.105 120.892 119.800 -0.022 0.000 2.061 649 Q HA -0.022 4.321 4.340 0.005 0.000 0.204 649 Q C 0.898 176.861 176.000 -0.063 0.000 0.984 649 Q CA 1.649 57.426 55.803 -0.043 0.000 0.846 649 Q CB -0.265 28.406 28.738 -0.112 0.000 0.902 649 Q HN 0.228 nan 8.270 nan 0.000 0.421 650 N N 0.033 118.713 118.700 -0.033 0.000 2.412 650 N HA 0.016 4.759 4.740 0.005 0.000 0.184 650 N C -0.696 174.901 175.510 0.145 0.000 1.101 650 N CA 0.638 53.709 53.050 0.034 0.000 0.881 650 N CB 0.481 38.982 38.487 0.024 0.000 0.969 650 N HN 0.197 nan 8.380 nan 0.000 0.459 651 D N -0.630 119.827 120.400 0.096 0.000 2.846 651 D HA 0.167 4.810 4.640 0.005 0.000 0.279 651 D C -2.139 174.174 176.300 0.023 0.000 1.222 651 D CA -1.444 52.688 54.000 0.219 0.000 0.769 651 D CB 1.103 42.114 40.800 0.352 0.000 1.299 651 D HN -0.020 nan 8.370 nan 0.000 0.537 652 P HA -0.003 nan 4.420 nan 0.000 0.231 652 P C 1.503 178.637 177.300 -0.276 0.000 1.168 652 P CA 0.307 63.210 63.100 -0.329 0.000 0.779 652 P CB 0.065 31.473 31.700 -0.487 0.000 0.844 653 W N 0.988 122.301 121.300 0.022 0.000 2.402 653 W HA 0.017 4.680 4.660 0.005 0.000 0.286 653 W C 0.105 176.623 176.519 -0.002 0.000 1.221 653 W CA 0.925 58.268 57.345 -0.004 0.000 1.257 653 W CB -1.289 28.164 29.460 -0.012 0.000 1.120 653 W HN -0.016 nan 8.180 nan 0.000 0.551 654 T N 2.126 116.822 114.554 0.237 0.000 3.150 654 T HA 0.200 4.552 4.350 0.005 0.000 0.383 654 T C -2.512 172.241 174.700 0.087 0.000 1.313 654 T CA -1.087 61.097 62.100 0.140 0.000 1.235 654 T CB 1.829 70.790 68.868 0.155 0.000 1.088 654 T HN -0.285 nan 8.240 nan 0.000 0.556 655 P HA 0.133 nan 4.420 nan 0.000 0.267 655 P C 0.789 178.113 177.300 0.040 0.000 1.205 655 P CA -0.018 63.099 63.100 0.029 0.000 0.765 655 P CB 0.984 32.685 31.700 0.001 0.000 0.828 656 T N 1.347 115.923 114.554 0.038 0.000 2.777 656 T HA 0.001 4.354 4.350 0.005 0.000 0.266 656 T C 0.871 175.629 174.700 0.096 0.000 1.040 656 T CA 1.129 63.229 62.100 0.000 0.000 1.141 656 T CB 0.010 68.854 68.868 -0.039 0.000 0.868 656 T HN 0.238 nan 8.240 nan 0.000 0.444 657 V N 2.266 122.252 119.914 0.120 0.000 2.407 657 V HA 0.394 4.517 4.120 0.005 0.000 0.291 657 V C -1.071 175.063 176.094 0.067 0.000 1.018 657 V CA -1.148 61.240 62.300 0.147 0.000 0.842 657 V CB 1.724 33.662 31.823 0.193 0.000 0.996 657 V HN 0.185 nan 8.190 nan 0.000 0.426 658 D N 3.361 123.775 120.400 0.023 0.000 2.460 658 D HA 0.216 4.859 4.640 0.005 0.000 0.232 658 D C 0.628 176.812 176.300 -0.194 0.000 1.079 658 D CA -0.597 53.375 54.000 -0.047 0.000 0.864 658 D CB 0.989 41.769 40.800 -0.034 0.000 1.048 658 D HN 0.355 nan 8.370 nan 0.000 0.523 659 F N 3.425 123.121 119.950 -0.423 0.000 2.154 659 F HA -0.246 4.283 4.527 0.004 0.000 0.301 659 F C 2.216 177.679 175.800 -0.561 0.000 1.087 659 F CA 2.061 59.558 58.000 -0.838 0.000 1.274 659 F CB -0.220 38.434 39.000 -0.575 0.000 1.009 659 F HN 0.405 nan 8.300 nan 0.000 0.485 660 S N -0.480 115.048 115.700 -0.285 0.000 2.420 660 S HA -0.246 4.227 4.470 0.005 0.000 0.237 660 S C 1.671 176.134 174.600 -0.229 0.000 1.023 660 S CA 1.446 59.526 58.200 -0.201 0.000 0.991 660 S CB -0.815 62.373 63.200 -0.020 0.000 0.792 660 S HN 0.460 nan 8.310 nan 0.000 0.488 661 D N 1.159 121.459 120.400 -0.168 0.000 2.182 661 D HA -0.027 4.616 4.640 0.005 0.000 0.201 661 D C 1.392 177.744 176.300 0.087 0.000 0.986 661 D CA 0.763 54.761 54.000 -0.003 0.000 0.847 661 D CB -0.423 40.435 40.800 0.098 0.000 0.942 661 D HN 0.405 nan 8.370 nan 0.000 0.467 662 F N 0.821 120.542 119.950 -0.380 0.000 2.216 662 F HA 0.023 4.553 4.527 0.006 0.000 0.300 662 F C 1.354 176.955 175.800 -0.333 0.000 1.085 662 F CA -0.113 57.654 58.000 -0.389 0.000 1.326 662 F CB -0.836 37.768 39.000 -0.660 0.000 1.027 662 F HN -0.090 nan 8.300 nan 0.000 0.497 663 I N 2.879 123.325 120.570 -0.206 0.000 2.347 663 I HA 0.053 4.226 4.170 0.005 0.000 0.294 663 I C 0.309 176.363 176.117 -0.106 0.000 1.090 663 I CA 0.059 61.248 61.300 -0.184 0.000 1.314 663 I CB 0.022 37.855 38.000 -0.277 0.000 1.423 663 I HN 0.139 nan 8.210 nan 0.000 0.503 664 N N 5.797 124.450 118.700 -0.077 0.000 2.475 664 N HA 0.027 4.769 4.740 0.005 0.000 0.272 664 N C 0.224 175.704 175.510 -0.050 0.000 1.482 664 N CA -0.351 52.666 53.050 -0.054 0.000 0.863 664 N CB -0.061 38.400 38.487 -0.042 0.000 1.400 664 N HN 0.624 nan 8.380 nan 0.000 0.489 665 N N 0.657 119.323 118.700 -0.058 0.000 2.878 665 N HA -0.202 4.541 4.740 0.005 0.000 0.247 665 N C -1.141 174.339 175.510 -0.049 0.000 1.021 665 N CA 0.999 54.018 53.050 -0.051 0.000 0.873 665 N CB -1.204 37.259 38.487 -0.040 0.000 1.128 665 N HN 0.623 nan 8.380 nan 0.000 0.571 666 E N 0.160 120.328 120.200 -0.053 0.000 2.390 666 E HA 0.140 4.493 4.350 0.005 0.000 0.261 666 E C 0.383 176.947 176.600 -0.060 0.000 1.076 666 E CA 0.351 56.719 56.400 -0.053 0.000 0.905 666 E CB 0.557 30.224 29.700 -0.054 0.000 0.984 666 E HN 0.270 nan 8.360 nan 0.000 0.427 667 T N 1.233 115.749 114.554 -0.064 0.000 2.930 667 T HA 0.181 4.533 4.350 0.005 0.000 0.306 667 T C 0.723 175.362 174.700 -0.102 0.000 1.045 667 T CA -0.208 61.846 62.100 -0.077 0.000 1.134 667 T CB 0.150 68.974 68.868 -0.074 0.000 0.961 667 T HN 0.503 nan 8.240 nan 0.000 0.545 668 I N 1.683 122.182 120.570 -0.118 0.000 3.947 668 I HA 0.579 4.752 4.170 0.005 0.000 0.327 668 I C 0.567 176.534 176.117 -0.249 0.000 1.519 668 I CA -0.900 60.310 61.300 -0.150 0.000 1.122 668 I CB 0.188 38.128 38.000 -0.100 0.000 1.146 668 I HN 0.525 nan 8.210 nan 0.000 0.442 669 A N 1.748 124.403 122.820 -0.275 0.000 2.444 669 A HA 0.680 5.003 4.320 0.005 0.000 0.332 669 A C 1.086 178.195 177.584 -0.792 0.000 1.430 669 A CA 0.207 51.980 52.037 -0.440 0.000 0.975 669 A CB -0.501 18.469 19.000 -0.049 0.000 1.147 669 A HN 1.008 nan 8.150 nan 0.000 0.524 670 G N 1.539 109.376 108.800 -1.604 0.000 2.141 670 G HA2 -0.144 3.819 3.960 0.005 0.000 0.195 670 G HA3 -0.144 3.819 3.960 0.005 0.000 0.195 670 G C -0.062 174.419 174.900 -0.699 0.000 1.012 670 G CA -0.004 44.177 45.100 -1.532 0.000 0.696 670 G HN 0.608 nan 8.290 nan 0.000 0.508 671 K N -0.117 119.959 120.400 -0.540 0.000 2.352 671 K HA 0.472 4.795 4.320 0.005 0.000 0.240 671 K C -0.818 175.654 176.600 -0.213 0.000 1.017 671 K CA -0.991 55.123 56.287 -0.288 0.000 0.851 671 K CB 1.307 33.682 32.500 -0.208 0.000 1.261 671 K HN 0.092 nan 8.250 nan 0.000 0.451 672 D N 1.906 122.227 120.400 -0.132 0.000 2.342 672 D HA 0.136 4.779 4.640 0.005 0.000 0.260 672 D C -0.833 175.427 176.300 -0.066 0.000 1.278 672 D CA -0.154 53.795 54.000 -0.085 0.000 0.910 672 D CB 0.101 40.857 40.800 -0.073 0.000 1.079 672 D HN 0.064 nan 8.370 nan 0.000 0.496 673 L N 4.036 125.229 121.223 -0.051 0.000 2.334 673 L HA 0.477 4.819 4.340 0.005 0.000 0.275 673 L C -0.173 176.681 176.870 -0.026 0.000 1.036 673 L CA -1.019 53.805 54.840 -0.027 0.000 0.807 673 L CB 1.891 43.937 42.059 -0.022 0.000 1.231 673 L HN 0.199 nan 8.230 nan 0.000 0.438 674 V N 1.114 121.016 119.914 -0.021 0.000 2.628 674 V HA 0.879 5.001 4.120 0.005 0.000 0.306 674 V C -0.115 175.865 176.094 -0.191 0.000 1.045 674 V CA -0.994 61.208 62.300 -0.164 0.000 0.905 674 V CB 1.593 33.260 31.823 -0.261 0.000 0.997 674 V HN 0.850 nan 8.190 nan 0.000 0.436 675 A N 3.198 125.824 122.820 -0.323 0.000 2.318 675 A HA 0.807 5.130 4.320 0.005 0.000 0.324 675 A C -1.540 175.799 177.584 -0.409 0.000 1.170 675 A CA -0.450 51.464 52.037 -0.204 0.000 0.810 675 A CB 0.599 19.538 19.000 -0.102 0.000 1.198 675 A HN 0.820 nan 8.150 nan 0.000 0.484 676 W N 2.334 123.630 121.300 -0.007 0.000 2.361 676 W HA 0.544 5.207 4.660 0.005 0.000 0.314 676 W C -0.696 175.686 176.519 -0.228 0.000 1.041 676 W CA -0.659 56.567 57.345 -0.198 0.000 1.241 676 W CB 1.671 31.083 29.460 -0.080 0.000 1.279 676 W HN 0.392 nan 8.180 nan 0.000 0.436 677 V N 3.413 123.181 119.914 -0.243 0.000 2.398 677 V HA 0.478 4.601 4.120 0.005 0.000 0.286 677 V C 0.028 176.133 176.094 0.018 0.000 1.026 677 V CA -0.646 61.533 62.300 -0.201 0.000 0.868 677 V CB 1.497 32.879 31.823 -0.736 0.000 0.982 677 V HN 0.484 nan 8.190 nan 0.000 0.443 678 T N 4.674 119.383 114.554 0.258 0.000 2.767 678 T HA 0.748 5.101 4.350 0.005 0.000 0.284 678 T C -0.038 174.870 174.700 0.348 0.000 0.973 678 T CA -0.188 62.174 62.100 0.437 0.000 0.996 678 T CB 1.388 70.604 68.868 0.580 0.000 0.927 678 T HN 0.958 nan 8.240 nan 0.000 0.456 679 A N 2.319 125.373 122.820 0.389 0.000 2.475 679 A HA 1.036 5.359 4.320 0.005 0.000 0.301 679 A C 0.034 177.847 177.584 0.382 0.000 1.059 679 A CA -0.420 51.835 52.037 0.363 0.000 0.710 679 A CB 1.884 21.111 19.000 0.378 0.000 1.288 679 A HN 1.169 nan 8.150 nan 0.000 0.408 680 G N -0.573 108.463 108.800 0.392 0.000 2.321 680 G HA2 0.701 4.664 3.960 0.005 0.000 0.296 680 G HA3 0.701 4.664 3.960 0.005 0.000 0.296 680 G C -1.231 173.972 174.900 0.506 0.000 1.287 680 G CA 0.138 45.487 45.100 0.416 0.000 0.846 680 G HN 2.012 nan 8.290 nan 0.000 0.508 681 F N -1.789 118.245 119.950 0.140 0.000 2.693 681 F HA 0.774 5.304 4.527 0.004 0.000 0.309 681 F C -1.239 174.543 175.800 -0.031 0.000 1.129 681 F CA -1.504 56.504 58.000 0.013 0.000 0.948 681 F CB 1.652 40.523 39.000 -0.215 0.000 1.315 681 F HN 0.577 nan 8.300 nan 0.000 0.447 682 L N 2.749 123.979 121.223 0.012 0.000 2.305 682 L HA 0.370 4.713 4.340 0.005 0.000 0.281 682 L C -0.968 175.887 176.870 -0.024 0.000 1.085 682 L CA -0.342 54.433 54.840 -0.107 0.000 0.813 682 L CB 0.874 42.904 42.059 -0.048 0.000 1.157 682 L HN 0.965 nan 8.230 nan 0.000 0.436 683 H N 6.130 124.967 119.070 -0.389 0.000 2.866 683 H HA 0.361 4.920 4.556 0.005 0.000 0.287 683 H C -0.880 174.250 175.328 -0.329 0.000 1.106 683 H CA -0.863 54.997 56.048 -0.313 0.000 1.396 683 H CB 0.951 30.452 29.762 -0.435 0.000 1.469 683 H HN 0.549 nan 8.280 nan 0.000 0.500 684 I N 7.528 128.116 120.570 0.031 0.000 2.281 684 I HA 0.192 4.365 4.170 0.005 0.000 0.293 684 I C -2.184 174.017 176.117 0.141 0.000 1.085 684 I CA -1.954 59.336 61.300 -0.015 0.000 1.257 684 I CB 0.756 38.761 38.000 0.008 0.000 1.430 684 I HN 0.425 nan 8.210 nan 0.000 0.489 685 P HA 0.049 nan 4.420 nan 0.000 0.266 685 P C -1.073 176.351 177.300 0.207 0.000 1.193 685 P CA 0.424 63.549 63.100 0.041 0.000 0.770 685 P CB 0.317 31.982 31.700 -0.058 0.000 0.836 686 H N -1.308 117.821 119.070 0.098 0.000 2.990 686 H HA 0.680 5.239 4.556 0.005 0.000 0.343 686 H C 0.866 176.229 175.328 0.059 0.000 1.270 686 H CA -0.978 55.106 56.048 0.061 0.000 1.118 686 H CB 0.395 30.191 29.762 0.056 0.000 1.861 686 H HN 0.220 nan 8.280 nan 0.000 0.544 687 A N 0.672 123.558 122.820 0.110 0.000 1.971 687 A HA -0.302 4.021 4.320 0.005 0.000 0.222 687 A C 1.678 179.263 177.584 0.002 0.000 1.182 687 A CA 2.355 54.418 52.037 0.043 0.000 0.649 687 A CB -0.987 18.047 19.000 0.057 0.000 0.818 687 A HN 0.837 nan 8.150 nan 0.000 0.458 688 E N 0.359 120.570 120.200 0.020 0.000 2.265 688 E HA -0.116 4.237 4.350 0.005 0.000 0.196 688 E C 0.821 177.355 176.600 -0.110 0.000 0.996 688 E CA 1.044 57.437 56.400 -0.011 0.000 0.832 688 E CB -0.164 29.601 29.700 0.109 0.000 0.756 688 E HN 0.544 nan 8.360 nan 0.000 0.491 689 D N -0.205 120.057 120.400 -0.231 0.000 2.338 689 D HA 0.046 4.688 4.640 0.005 0.000 0.239 689 D C -0.072 176.219 176.300 -0.015 0.000 1.095 689 D CA 0.450 54.372 54.000 -0.131 0.000 0.888 689 D CB 0.241 40.970 40.800 -0.118 0.000 0.899 689 D HN 0.203 nan 8.370 nan 0.000 0.525 690 I N 1.500 122.062 120.570 -0.013 0.000 2.466 690 I HA 0.128 4.300 4.170 0.005 0.000 0.289 690 I C -1.505 174.625 176.117 0.021 0.000 1.026 690 I CA -1.707 59.602 61.300 0.015 0.000 1.078 690 I CB 2.807 40.804 38.000 -0.005 0.000 1.249 690 I HN -0.293 nan 8.210 nan 0.000 0.429 691 P HA 0.064 nan 4.420 nan 0.000 0.236 691 P C -0.427 177.000 177.300 0.212 0.000 1.177 691 P CA 0.686 63.835 63.100 0.082 0.000 0.773 691 P CB 0.327 32.070 31.700 0.072 0.000 0.878 692 N N -0.064 118.716 118.700 0.135 0.000 2.240 692 N HA 0.228 4.970 4.740 0.005 0.000 0.302 692 N C -0.411 175.111 175.510 0.021 0.000 1.106 692 N CA -0.399 52.705 53.050 0.091 0.000 0.778 692 N CB 1.915 40.403 38.487 0.001 0.000 1.431 692 N HN -0.127 nan 8.380 nan 0.000 0.479 693 T N -1.648 112.912 114.554 0.009 0.000 2.794 693 T HA 0.384 4.737 4.350 0.005 0.000 0.296 693 T C 0.579 175.242 174.700 -0.061 0.000 0.949 693 T CA -0.676 61.414 62.100 -0.017 0.000 1.101 693 T CB 0.341 69.231 68.868 0.037 0.000 0.905 693 T HN 0.327 nan 8.240 nan 0.000 0.516 694 V N 1.542 121.418 119.914 -0.064 0.000 2.973 694 V HA 0.599 4.722 4.120 0.005 0.000 0.314 694 V C 1.285 177.328 176.094 -0.084 0.000 1.066 694 V CA -0.316 61.938 62.300 -0.076 0.000 1.021 694 V CB 0.829 32.617 31.823 -0.058 0.000 1.076 694 V HN 1.015 nan 8.190 nan 0.000 0.462 695 T N -1.220 113.274 114.554 -0.101 0.000 3.252 695 T HA 0.153 4.505 4.350 0.005 0.000 0.250 695 T C 0.458 175.119 174.700 -0.065 0.000 1.123 695 T CA -0.054 61.988 62.100 -0.096 0.000 1.006 695 T CB -0.738 67.985 68.868 -0.242 0.000 0.992 695 T HN 0.547 nan 8.240 nan 0.000 0.547 696 V N 2.328 122.206 119.914 -0.059 0.000 2.540 696 V HA 0.511 4.634 4.120 0.005 0.000 0.297 696 V C 1.232 177.313 176.094 -0.021 0.000 1.024 696 V CA 1.254 63.532 62.300 -0.037 0.000 1.105 696 V CB -0.431 31.375 31.823 -0.029 0.000 0.938 696 V HN 1.026 nan 8.190 nan 0.000 0.482 697 G N 4.805 113.612 108.800 0.011 0.000 2.331 697 G HA2 -0.091 3.872 3.960 0.005 0.000 0.402 697 G HA3 -0.091 3.872 3.960 0.005 0.000 0.402 697 G C -0.127 174.837 174.900 0.108 0.000 1.275 697 G CA -0.065 45.057 45.100 0.038 0.000 1.003 697 G HN 0.533 nan 8.290 nan 0.000 0.500 698 N N 0.554 119.323 118.700 0.114 0.000 2.177 698 N HA 0.473 5.216 4.740 0.005 0.000 0.218 698 N C 1.062 176.601 175.510 0.047 0.000 1.182 698 N CA 1.989 55.128 53.050 0.148 0.000 0.882 698 N CB 0.568 39.106 38.487 0.084 0.000 1.052 698 N HN 2.147 nan 8.380 nan 0.000 0.519 699 G N -0.265 108.450 108.800 -0.140 0.000 2.545 699 G HA2 -0.165 3.798 3.960 0.005 0.000 0.216 699 G HA3 -0.165 3.798 3.960 0.005 0.000 0.216 699 G C -1.414 173.348 174.900 -0.230 0.000 1.314 699 G CA -0.279 44.432 45.100 -0.649 0.000 0.906 699 G HN 0.166 nan 8.290 nan 0.000 0.563 700 V N 0.833 120.620 119.914 -0.212 0.000 2.777 700 V HA 0.832 4.955 4.120 0.005 0.000 0.306 700 V C 0.822 176.941 176.094 0.040 0.000 1.112 700 V CA 0.976 63.304 62.300 0.046 0.000 0.917 700 V CB 1.191 33.150 31.823 0.228 0.000 1.018 700 V HN 2.611 nan 8.190 nan 0.000 0.426 701 G N 4.022 112.863 108.800 0.069 0.000 2.623 701 G HA2 0.586 4.549 3.960 0.005 0.000 0.085 701 G HA3 0.586 4.549 3.960 0.005 0.000 0.085 701 G C -1.194 173.816 174.900 0.182 0.000 1.116 701 G CA 0.402 45.540 45.100 0.063 0.000 1.200 701 G HN 1.367 nan 8.290 nan 0.000 0.556 702 F N -2.357 117.454 119.950 -0.231 0.000 2.926 702 F HA 0.837 5.367 4.527 0.004 0.000 0.321 702 F C -2.183 173.444 175.800 -0.288 0.000 1.168 702 F CA -1.740 56.164 58.000 -0.159 0.000 0.890 702 F CB 1.219 40.145 39.000 -0.123 0.000 1.357 702 F HN 0.473 nan 8.300 nan 0.000 0.468 703 F N 1.546 121.507 119.950 0.017 0.000 2.551 703 F HA 0.741 5.270 4.527 0.004 0.000 0.316 703 F C -0.964 174.860 175.800 0.040 0.000 1.089 703 F CA -0.877 57.067 58.000 -0.094 0.000 0.915 703 F CB 2.315 41.240 39.000 -0.125 0.000 1.186 703 F HN 0.393 nan 8.300 nan 0.000 0.456 704 L N 4.330 125.669 121.223 0.194 0.000 2.319 704 L HA 0.659 5.002 4.340 0.005 0.000 0.281 704 L C -0.877 176.131 176.870 0.230 0.000 1.005 704 L CA -0.630 54.357 54.840 0.245 0.000 0.828 704 L CB 1.769 43.966 42.059 0.231 0.000 1.227 704 L HN 0.574 nan 8.230 nan 0.000 0.415 705 R N 3.752 124.287 120.500 0.059 0.000 2.575 705 R HA 0.438 4.781 4.340 0.005 0.000 0.293 705 R C -2.700 173.242 176.300 -0.596 0.000 0.983 705 R CA -1.859 54.126 56.100 -0.192 0.000 0.887 705 R CB 2.153 32.372 30.300 -0.135 0.000 1.184 705 R HN 0.281 nan 8.270 nan 0.000 0.445 706 P HA -0.116 nan 4.420 nan 0.000 0.263 706 P C -1.318 175.865 177.300 -0.195 0.000 1.195 706 P CA 0.355 62.946 63.100 -0.849 0.000 0.762 706 P CB 0.379 31.929 31.700 -0.249 0.000 0.799 707 Y N 4.388 124.529 120.300 -0.265 0.000 2.535 707 Y HA 0.220 4.773 4.550 0.004 0.000 0.341 707 Y C 0.241 176.041 175.900 -0.166 0.000 1.041 707 Y CA -0.497 57.475 58.100 -0.214 0.000 1.307 707 Y CB 0.052 38.311 38.460 -0.335 0.000 1.095 707 Y HN 0.378 nan 8.280 nan 0.000 0.534 708 N N 2.963 121.478 118.700 -0.309 0.000 2.829 708 N HA -0.297 4.446 4.740 0.005 0.000 0.250 708 N C 0.500 176.004 175.510 -0.010 0.000 1.090 708 N CA 1.474 54.405 53.050 -0.198 0.000 0.781 708 N CB -1.825 36.448 38.487 -0.357 0.000 1.124 708 N HN 0.712 nan 8.380 nan 0.000 0.559 709 F N 0.219 120.084 119.950 -0.141 0.000 2.187 709 F HA 0.230 4.760 4.527 0.004 0.000 0.295 709 F C 0.832 176.437 175.800 -0.324 0.000 1.091 709 F CA 0.822 58.688 58.000 -0.225 0.000 1.308 709 F CB 0.150 38.955 39.000 -0.325 0.000 1.030 709 F HN -0.042 nan 8.300 nan 0.000 0.487 710 F N 0.456 120.497 119.950 0.153 0.000 2.410 710 F HA 0.251 4.781 4.527 0.004 0.000 0.324 710 F C 1.500 177.309 175.800 0.016 0.000 1.093 710 F CA -0.743 57.288 58.000 0.052 0.000 1.028 710 F CB 0.092 39.192 39.000 0.168 0.000 1.309 710 F HN -0.262 nan 8.300 nan 0.000 0.499 711 D N -1.116 119.408 120.400 0.208 0.000 2.301 711 D HA 0.013 4.655 4.640 0.005 0.000 0.206 711 D C 0.582 177.037 176.300 0.260 0.000 0.979 711 D CA 0.813 54.870 54.000 0.095 0.000 0.874 711 D CB 0.389 41.139 40.800 -0.082 0.000 0.968 711 D HN 0.501 nan 8.370 nan 0.000 0.510 712 Q N -0.326 119.608 119.800 0.224 0.000 2.832 712 Q HA 0.137 4.479 4.340 0.005 0.000 0.331 712 Q C -1.019 175.054 176.000 0.121 0.000 0.833 712 Q CA -0.626 55.288 55.803 0.186 0.000 0.794 712 Q CB 0.993 29.828 28.738 0.161 0.000 1.387 712 Q HN -0.112 nan 8.270 nan 0.000 0.508 713 E N 1.893 122.134 120.200 0.069 0.000 2.585 713 E HA 0.113 4.465 4.350 0.005 0.000 0.252 713 E C -1.880 174.693 176.600 -0.044 0.000 0.981 713 E CA -1.039 55.370 56.400 0.015 0.000 0.943 713 E CB 0.359 30.069 29.700 0.017 0.000 0.923 713 E HN 0.237 nan 8.360 nan 0.000 0.486 714 P HA 0.026 nan 4.420 nan 0.000 0.273 714 P C -0.607 176.632 177.300 -0.102 0.000 1.250 714 P CA -0.344 62.612 63.100 -0.239 0.000 0.793 714 P CB 0.754 32.167 31.700 -0.479 0.000 1.011 715 S N 0.030 115.670 115.700 -0.101 0.000 2.640 715 S HA 0.686 5.159 4.470 0.005 0.000 0.262 715 S C 0.251 174.835 174.600 -0.026 0.000 1.232 715 S CA -0.288 57.879 58.200 -0.055 0.000 0.988 715 S CB -0.090 63.071 63.200 -0.066 0.000 1.034 715 S HN 0.562 nan 8.310 nan 0.000 0.569 716 M N -0.109 119.486 119.600 -0.008 0.000 2.484 716 M HA 0.499 4.982 4.480 0.005 0.000 0.292 716 M C -2.406 173.909 176.300 0.025 0.000 1.123 716 M CA -0.828 54.488 55.300 0.026 0.000 0.910 716 M CB 1.375 34.018 32.600 0.072 0.000 1.782 716 M HN 0.286 nan 8.290 nan 0.000 0.512 717 D N 0.000 120.422 120.400 0.036 0.000 6.856 717 D HA 0.000 4.643 4.640 0.005 0.000 0.175 717 D CA 0.000 54.022 54.000 0.036 0.000 0.868 717 D CB 0.000 40.816 40.800 0.026 0.000 0.688 717 D HN 0.000 nan 8.370 nan 0.000 0.683