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 2flo_1_C DATA FIRST_RESID 11 DATA SEQUENCE QEFAAVDLGS NSFHXVIARV VDGAXQIIGR LKQRVHLADG LGPDNXLSEE DATA SEQUENCE AXTRGLNCLS LFAERLQGFS PASVCIVGTH TLRQALNATD FLKRAEKVIP DATA SEQUENCE YPIEIISGNE EARLIFXGVE HTQPEKGRKL VIDIGGGSTE LVIGENFEPI DATA SEQUENCE LVESRRXGCV SFAQLYFPGG VINKENFQRA RXAAAQKLET LTWQFRIQGW DATA SEQUENCE NVAXGASGTI KAAHEVLXEX GEKDGIITPE RLEKLVKEVL RHRNFASLSL DATA SEQUENCE PGLSEERKTV FVPGLAILCG VFDALAIREL RLSDGALREG VLYEXEGRFR DATA SEQUENCE HQDVRSRTAS SLANQYHIDS EQARRVLDTT XQXYEQWREQ QPKLAHPQLE DATA SEQUENCE ALLRWAAXLH EVGLNINHSG LHRHSAYILQ NSDLPGFNQE QQLXXATLVR DATA SEQUENCE YHRKAIKLDD LPRFTLFKKK QFLPLIQLLR LGVLLNNQRQ ATTTPPTLTL DATA SEQUENCE ITDDSHWTLR FPHDWFSQNA LVLLDLEKEQ EYWEGVAGWR LKIEEE 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.970 176.000 -0.049 0.000 1.003 11 Q CA 0.000 55.733 55.803 -0.116 0.000 1.022 11 Q CB 0.000 28.635 28.738 -0.172 0.000 1.108 12 E N 1.234 121.357 120.200 -0.129 0.000 2.319 12 E HA 0.646 4.997 4.350 0.003 0.000 0.268 12 E C -0.810 175.895 176.600 0.174 0.000 1.050 12 E CA -0.511 55.865 56.400 -0.040 0.000 0.878 12 E CB 0.940 30.609 29.700 -0.052 0.000 1.066 12 E HN 0.448 nan 8.360 nan 0.000 0.406 13 F N -1.230 118.829 119.950 0.182 0.000 2.643 13 F HA 0.840 5.368 4.527 0.003 0.000 0.314 13 F C -1.160 174.770 175.800 0.216 0.000 1.096 13 F CA -1.279 56.900 58.000 0.297 0.000 0.953 13 F CB 1.336 40.520 39.000 0.306 0.000 1.345 13 F HN 0.418 nan 8.300 nan 0.000 0.468 14 A N 1.142 124.090 122.820 0.214 0.000 2.449 14 A HA 0.926 5.248 4.320 0.003 0.000 0.302 14 A C -1.437 176.119 177.584 -0.046 0.000 1.048 14 A CA -0.513 51.482 52.037 -0.070 0.000 0.708 14 A CB 1.294 20.113 19.000 -0.303 0.000 1.274 14 A HN 1.667 nan 8.150 nan 0.000 0.410 15 A N 1.222 123.991 122.820 -0.084 0.000 2.331 15 A HA 0.722 5.044 4.320 0.003 0.000 0.320 15 A C -0.896 176.641 177.584 -0.078 0.000 1.138 15 A CA -0.477 51.528 52.037 -0.054 0.000 0.790 15 A CB 1.120 20.106 19.000 -0.023 0.000 1.206 15 A HN 1.248 nan 8.150 nan 0.000 0.470 16 V N 2.323 122.208 119.914 -0.047 0.000 2.540 16 V HA 0.467 4.589 4.120 0.003 0.000 0.302 16 V C -1.110 175.004 176.094 0.033 0.000 1.035 16 V CA -0.474 61.825 62.300 -0.001 0.000 0.873 16 V CB 1.948 33.786 31.823 0.025 0.000 0.992 16 V HN 0.958 nan 8.190 nan 0.000 0.428 17 D N 4.323 124.780 120.400 0.094 0.000 2.471 17 D HA 0.378 5.019 4.640 0.003 0.000 0.245 17 D C -0.567 175.794 176.300 0.103 0.000 1.116 17 D CA -0.345 53.704 54.000 0.081 0.000 0.853 17 D CB 1.275 42.111 40.800 0.060 0.000 1.123 17 D HN 0.417 nan 8.370 nan 0.000 0.540 18 L N 3.987 125.159 121.223 -0.085 0.000 2.356 18 L HA 0.507 4.849 4.340 0.003 0.000 0.282 18 L C 1.233 178.127 176.870 0.041 0.000 1.132 18 L CA -0.663 53.975 54.840 -0.336 0.000 0.923 18 L CB 0.613 42.284 42.059 -0.646 0.000 1.278 18 L HN 0.360 nan 8.230 nan 0.000 0.436 19 G N 0.876 109.848 108.800 0.287 0.000 2.531 19 G HA2 0.299 4.261 3.960 0.003 0.000 0.281 19 G HA3 0.299 4.261 3.960 0.003 0.000 0.281 19 G C 0.631 175.685 174.900 0.257 0.000 1.382 19 G CA -0.292 44.967 45.100 0.264 0.000 1.045 19 G HN 0.416 nan 8.290 nan 0.000 0.533 20 S N -0.356 115.461 115.700 0.195 0.000 2.348 20 S HA -0.070 4.402 4.470 0.003 0.000 0.219 20 S C 2.160 176.836 174.600 0.127 0.000 1.033 20 S CA 0.699 58.993 58.200 0.157 0.000 0.974 20 S CB -0.190 63.090 63.200 0.134 0.000 0.868 20 S HN 0.546 nan 8.310 nan 0.000 0.459 21 N N 0.580 119.349 118.700 0.115 0.000 2.336 21 N HA 0.154 4.895 4.740 0.003 0.000 0.177 21 N C -0.090 175.332 175.510 -0.147 0.000 1.018 21 N CA 0.510 53.581 53.050 0.034 0.000 0.878 21 N CB 0.298 38.825 38.487 0.067 0.000 0.997 21 N HN 0.193 nan 8.380 nan 0.000 0.433 22 S N -0.225 115.463 115.700 -0.020 0.000 2.588 22 S HA 0.488 4.959 4.470 0.003 0.000 0.275 22 S C -1.268 173.403 174.600 0.119 0.000 1.130 22 S CA -0.654 57.452 58.200 -0.156 0.000 0.855 22 S CB 1.771 64.740 63.200 -0.386 0.000 1.116 22 S HN -0.065 nan 8.310 nan 0.000 0.472 23 F N 2.750 122.602 119.950 -0.163 0.000 2.410 23 F HA 0.483 5.011 4.527 0.002 0.000 0.349 23 F C 1.114 176.971 175.800 0.095 0.000 1.117 23 F CA -0.725 57.296 58.000 0.035 0.000 1.104 23 F CB 0.556 39.519 39.000 -0.062 0.000 1.122 23 F HN 0.545 nan 8.300 nan 0.000 0.483 27 I N 3.486 123.940 120.570 -0.194 0.000 2.404 27 I HA 0.894 5.066 4.170 0.003 0.000 0.293 27 I C 0.337 176.302 176.117 -0.253 0.000 0.992 27 I CA -0.381 60.799 61.300 -0.199 0.000 1.149 27 I CB 1.879 39.808 38.000 -0.118 0.000 1.315 27 I HN 0.832 nan 8.210 nan 0.000 0.446 28 A N 6.631 129.185 122.820 -0.444 0.000 2.532 28 A HA 0.995 5.316 4.320 0.003 0.000 0.290 28 A C -0.870 176.346 177.584 -0.614 0.000 1.143 28 A CA -0.721 50.991 52.037 -0.542 0.000 0.728 28 A CB 2.155 20.749 19.000 -0.677 0.000 1.317 28 A HN 0.858 nan 8.150 nan 0.000 0.414 29 R N -1.045 119.253 120.500 -0.336 0.000 2.752 29 R HA 0.748 5.090 4.340 0.003 0.000 0.271 29 R C -1.983 174.351 176.300 0.056 0.000 1.026 29 R CA -0.842 55.212 56.100 -0.075 0.000 0.901 29 R CB 1.236 31.515 30.300 -0.035 0.000 1.243 29 R HN 0.417 nan 8.270 nan 0.000 0.463 30 V N 1.545 121.548 119.914 0.148 0.000 2.398 30 V HA 0.452 4.574 4.120 0.003 0.000 0.286 30 V C -0.623 175.492 176.094 0.035 0.000 1.026 30 V CA -0.708 61.645 62.300 0.088 0.000 0.868 30 V CB 1.535 33.414 31.823 0.094 0.000 0.982 30 V HN 0.512 nan 8.190 nan 0.000 0.443 31 V N 4.034 123.962 119.914 0.023 0.000 2.376 31 V HA 0.437 4.559 4.120 0.003 0.000 0.287 31 V C -0.081 176.022 176.094 0.015 0.000 1.015 31 V CA -0.550 61.756 62.300 0.010 0.000 0.834 31 V CB 1.222 33.047 31.823 0.003 0.000 1.001 31 V HN 0.984 nan 8.190 nan 0.000 0.428 32 D N 4.506 124.912 120.400 0.010 0.000 2.699 32 D HA -0.190 4.452 4.640 0.003 0.000 0.239 32 D C 1.332 177.645 176.300 0.022 0.000 1.136 32 D CA 1.681 55.688 54.000 0.012 0.000 0.668 32 D CB -1.023 39.783 40.800 0.010 0.000 1.060 32 D HN 1.380 nan 8.370 nan 0.000 0.429 33 G N -1.677 107.139 108.800 0.026 0.000 2.205 33 G HA2 -0.138 3.823 3.960 0.003 0.000 0.261 33 G HA3 -0.138 3.823 3.960 0.003 0.000 0.261 33 G C 0.501 175.438 174.900 0.062 0.000 0.980 33 G CA 0.925 46.049 45.100 0.040 0.000 0.632 33 G HN 1.188 nan 8.290 nan 0.000 0.533 37 I N 5.776 126.301 120.570 -0.075 0.000 2.436 37 I HA 0.024 4.195 4.170 0.003 0.000 0.289 37 I C 1.118 177.188 176.117 -0.079 0.000 1.083 37 I CA 0.042 61.285 61.300 -0.095 0.000 1.372 37 I CB 0.212 38.176 38.000 -0.061 0.000 1.408 37 I HN 0.759 nan 8.210 nan 0.000 0.516 38 I N 4.630 125.140 120.570 -0.100 0.000 2.494 38 I HA 0.183 4.355 4.170 0.003 0.000 0.250 38 I C 1.186 177.267 176.117 -0.061 0.000 1.112 38 I CA 0.608 61.865 61.300 -0.072 0.000 1.438 38 I CB -0.494 37.462 38.000 -0.074 0.000 1.111 38 I HN 0.647 nan 8.210 nan 0.000 0.431 39 G N 0.989 109.743 108.800 -0.077 0.000 2.703 39 G HA2 0.610 4.572 3.960 0.003 0.000 0.294 39 G HA3 0.610 4.572 3.960 0.003 0.000 0.294 39 G C -1.010 173.840 174.900 -0.084 0.000 1.451 39 G CA -0.785 44.274 45.100 -0.069 0.000 0.869 39 G HN 0.006 nan 8.290 nan 0.000 0.516 40 R N 0.219 120.681 120.500 -0.063 0.000 2.532 40 R HA 0.641 4.983 4.340 0.003 0.000 0.297 40 R C -1.004 175.269 176.300 -0.045 0.000 0.984 40 R CA -0.761 55.306 56.100 -0.055 0.000 0.884 40 R CB 2.137 32.424 30.300 -0.022 0.000 1.182 40 R HN 0.623 nan 8.270 nan 0.000 0.442 41 L N -0.587 120.595 121.223 -0.068 0.000 2.415 41 L HA 0.745 5.087 4.340 0.003 0.000 0.256 41 L C -0.971 175.896 176.870 -0.006 0.000 1.010 41 L CA -0.896 53.920 54.840 -0.040 0.000 0.826 41 L CB 1.982 44.005 42.059 -0.058 0.000 1.405 41 L HN 0.634 nan 8.230 nan 0.000 0.410 42 K N 0.179 120.597 120.400 0.031 0.000 2.495 42 K HA 0.669 4.990 4.320 0.003 0.000 0.268 42 K C -1.613 175.025 176.600 0.063 0.000 1.008 42 K CA -0.826 55.481 56.287 0.034 0.000 0.882 42 K CB 2.160 34.538 32.500 -0.203 0.000 1.443 42 K HN 0.803 nan 8.250 nan 0.000 0.447 43 Q N 1.314 121.134 119.800 0.032 0.000 2.321 43 Q HA 0.292 4.634 4.340 0.003 0.000 0.270 43 Q C -1.066 174.799 176.000 -0.225 0.000 1.032 43 Q CA -0.811 54.944 55.803 -0.081 0.000 0.784 43 Q CB 1.758 30.434 28.738 -0.103 0.000 1.264 43 Q HN 0.567 nan 8.270 nan 0.000 0.448 44 R N 3.308 123.657 120.500 -0.253 0.000 2.605 44 R HA 0.059 4.401 4.340 0.003 0.000 0.271 44 R C 0.514 176.495 176.300 -0.532 0.000 1.418 44 R CA -0.095 55.736 56.100 -0.449 0.000 1.102 44 R CB 0.108 30.161 30.300 -0.412 0.000 1.131 44 R HN 0.452 nan 8.270 nan 0.000 0.554 45 V N 1.606 121.197 119.914 -0.539 0.000 2.951 45 V HA -0.135 3.986 4.120 0.003 0.000 0.255 45 V C 0.724 176.632 176.094 -0.309 0.000 1.088 45 V CA 0.494 62.488 62.300 -0.510 0.000 1.109 45 V CB -0.748 30.492 31.823 -0.971 0.000 0.724 45 V HN 0.868 nan 8.190 nan 0.000 0.471 46 H N -1.402 117.567 119.070 -0.169 0.000 2.626 46 H HA -0.213 4.344 4.556 0.002 0.000 0.317 46 H C 1.428 176.700 175.328 -0.093 0.000 1.140 46 H CA 0.836 56.832 56.048 -0.087 0.000 1.134 46 H CB -1.359 28.368 29.762 -0.059 0.000 1.486 46 H HN 0.358 nan 8.280 nan 0.000 0.417 47 L N 0.518 121.707 121.223 -0.056 0.000 2.042 47 L HA -0.140 4.202 4.340 0.003 0.000 0.210 47 L C 2.474 179.347 176.870 0.005 0.000 1.076 47 L CA 2.284 57.088 54.840 -0.060 0.000 0.749 47 L CB -0.379 41.668 42.059 -0.019 0.000 0.893 47 L HN 0.490 nan 8.230 nan 0.000 0.432 48 A N -1.140 121.717 122.820 0.062 0.000 2.019 48 A HA -0.208 4.114 4.320 0.003 0.000 0.219 48 A C 1.886 179.511 177.584 0.069 0.000 1.164 48 A CA 1.749 53.835 52.037 0.082 0.000 0.644 48 A CB -0.711 18.362 19.000 0.122 0.000 0.805 48 A HN 0.525 nan 8.150 nan 0.000 0.449 49 D N -0.252 120.190 120.400 0.070 0.000 2.219 49 D HA -0.035 4.607 4.640 0.003 0.000 0.205 49 D C 1.784 178.096 176.300 0.021 0.000 0.970 49 D CA 1.314 55.340 54.000 0.042 0.000 0.851 49 D CB -0.412 40.401 40.800 0.021 0.000 0.943 49 D HN 0.439 nan 8.370 nan 0.000 0.488 50 G N -0.106 108.700 108.800 0.011 0.000 3.181 50 G HA2 0.114 4.076 3.960 0.003 0.000 0.219 50 G HA3 0.114 4.076 3.960 0.003 0.000 0.219 50 G C 0.159 175.056 174.900 -0.005 0.000 1.182 50 G CA -0.261 44.837 45.100 -0.004 0.000 0.791 50 G HN 0.121 nan 8.290 nan 0.000 0.537 51 L N 2.194 123.422 121.223 0.009 0.000 2.264 51 L HA 0.707 5.049 4.340 0.003 0.000 0.287 51 L C 0.741 177.623 176.870 0.020 0.000 1.039 51 L CA -0.717 54.130 54.840 0.011 0.000 0.829 51 L CB 0.646 42.719 42.059 0.023 0.000 1.211 51 L HN -0.016 nan 8.230 nan 0.000 0.427 52 G N 4.626 113.433 108.800 0.012 0.000 2.580 52 G HA2 0.379 4.341 3.960 0.003 0.000 0.278 52 G HA3 0.379 4.341 3.960 0.003 0.000 0.278 52 G C -1.895 173.014 174.900 0.014 0.000 1.212 52 G CA -0.914 44.194 45.100 0.012 0.000 0.939 52 G HN 0.605 nan 8.290 nan 0.000 0.513 53 P HA -0.038 nan 4.420 nan 0.000 0.220 53 P C 1.153 178.457 177.300 0.007 0.000 1.148 53 P CA 0.769 63.875 63.100 0.009 0.000 0.803 53 P CB 0.240 31.941 31.700 0.002 0.000 0.782 54 D N -1.225 119.178 120.400 0.005 0.000 2.254 54 D HA -0.161 4.480 4.640 0.003 0.000 0.201 54 D C 0.617 176.920 176.300 0.004 0.000 0.998 54 D CA 1.031 55.033 54.000 0.004 0.000 0.885 54 D CB -0.635 40.167 40.800 0.004 0.000 0.915 54 D HN 0.092 nan 8.370 nan 0.000 0.460 58 S N 1.329 117.026 115.700 -0.005 0.000 2.572 58 S HA 0.073 4.544 4.470 0.003 0.000 0.279 58 S C 0.964 175.575 174.600 0.019 0.000 1.341 58 S CA -0.583 57.621 58.200 0.006 0.000 1.043 58 S CB 1.165 64.366 63.200 0.001 0.000 0.887 58 S HN 0.580 nan 8.310 nan 0.000 0.516 59 E N 1.937 122.153 120.200 0.027 0.000 2.160 59 E HA -0.173 4.179 4.350 0.003 0.000 0.195 59 E C 1.727 178.349 176.600 0.037 0.000 0.991 59 E CA 1.081 57.505 56.400 0.041 0.000 0.810 59 E CB -0.028 29.692 29.700 0.033 0.000 0.742 59 E HN 0.598 nan 8.360 nan 0.000 0.466 60 E N 0.944 121.156 120.200 0.020 0.000 2.031 60 E HA -0.080 4.272 4.350 0.003 0.000 0.193 60 E C 1.326 177.929 176.600 0.005 0.000 0.994 60 E CA 0.651 57.058 56.400 0.011 0.000 0.800 60 E CB -0.546 29.156 29.700 0.003 0.000 0.752 60 E HN 0.141 nan 8.360 nan 0.000 0.447 64 R N 1.119 121.620 120.500 0.002 0.000 2.096 64 R HA -0.047 4.294 4.340 0.003 0.000 0.240 64 R C 2.588 178.826 176.300 -0.104 0.000 1.139 64 R CA 2.069 58.128 56.100 -0.069 0.000 0.952 64 R CB -0.676 29.558 30.300 -0.110 0.000 0.854 64 R HN 0.438 nan 8.270 nan 0.000 0.436 65 G N 0.698 109.476 108.800 -0.036 0.000 2.421 65 G HA2 -0.234 3.728 3.960 0.003 0.000 0.216 65 G HA3 -0.234 3.728 3.960 0.003 0.000 0.216 65 G C 1.415 176.505 174.900 0.317 0.000 1.171 65 G CA 0.574 45.750 45.100 0.126 0.000 0.775 65 G HN 0.163 nan 8.290 nan 0.000 0.543 66 L N 0.468 121.851 121.223 0.267 0.000 2.093 66 L HA -0.044 4.298 4.340 0.003 0.000 0.208 66 L C 2.677 179.565 176.870 0.029 0.000 1.085 66 L CA 0.727 55.622 54.840 0.092 0.000 0.755 66 L CB -0.420 41.658 42.059 0.031 0.000 0.904 66 L HN 0.099 nan 8.230 nan 0.000 0.435 67 N N -0.442 118.265 118.700 0.012 0.000 2.166 67 N HA -0.202 4.540 4.740 0.003 0.000 0.186 67 N C 1.941 177.416 175.510 -0.058 0.000 1.019 67 N CA 1.542 54.579 53.050 -0.021 0.000 0.856 67 N CB -0.720 37.751 38.487 -0.026 0.000 0.993 67 N HN 0.384 nan 8.380 nan 0.000 0.426 68 C N 0.937 120.169 119.300 -0.113 0.000 2.446 68 C HA 0.065 4.527 4.460 0.003 0.000 0.277 68 C C 2.639 177.435 174.990 -0.324 0.000 1.275 68 C CA 0.249 59.111 59.018 -0.259 0.000 1.727 68 C CB -1.193 26.318 27.740 -0.382 0.000 2.010 68 C HN 0.384 nan 8.230 nan 0.000 0.486 69 L N 1.099 122.243 121.223 -0.130 0.000 2.083 69 L HA -0.120 4.222 4.340 0.003 0.000 0.209 69 L C 2.803 179.687 176.870 0.024 0.000 1.083 69 L CA 1.867 56.675 54.840 -0.055 0.000 0.752 69 L CB -0.678 41.395 42.059 0.024 0.000 0.899 69 L HN 0.382 nan 8.230 nan 0.000 0.433 70 S N 0.284 115.990 115.700 0.009 0.000 2.370 70 S HA -0.179 4.293 4.470 0.003 0.000 0.226 70 S C 1.969 176.612 174.600 0.071 0.000 1.033 70 S CA 1.289 59.510 58.200 0.034 0.000 1.011 70 S CB -0.383 62.826 63.200 0.015 0.000 0.852 70 S HN 0.317 nan 8.310 nan 0.000 0.457 71 L N -0.070 121.194 121.223 0.068 0.000 2.056 71 L HA -0.078 4.263 4.340 0.003 0.000 0.207 71 L C 2.327 179.363 176.870 0.277 0.000 1.078 71 L CA 1.145 56.066 54.840 0.135 0.000 0.749 71 L CB -0.589 41.540 42.059 0.117 0.000 0.901 71 L HN 0.240 nan 8.230 nan 0.000 0.433 72 F N 0.511 120.481 119.950 0.034 0.000 2.134 72 F HA -0.173 4.356 4.527 0.004 0.000 0.299 72 F C 2.668 178.469 175.800 0.001 0.000 1.097 72 F CA 0.788 58.794 58.000 0.010 0.000 1.264 72 F CB -1.327 37.690 39.000 0.027 0.000 1.001 72 F HN 0.029 nan 8.300 nan 0.000 0.479 73 A N 0.061 123.026 122.820 0.242 0.000 1.908 73 A HA -0.235 4.087 4.320 0.003 0.000 0.218 73 A C 2.165 179.825 177.584 0.128 0.000 1.181 73 A CA 1.900 54.042 52.037 0.175 0.000 0.627 73 A CB -0.847 18.229 19.000 0.128 0.000 0.818 73 A HN 0.456 nan 8.150 nan 0.000 0.445 74 E N -1.027 119.239 120.200 0.109 0.000 2.085 74 E HA -0.250 4.102 4.350 0.003 0.000 0.194 74 E C 2.278 178.919 176.600 0.069 0.000 0.994 74 E CA 1.396 57.847 56.400 0.085 0.000 0.801 74 E CB -0.172 29.573 29.700 0.076 0.000 0.743 74 E HN 0.488 nan 8.360 nan 0.000 0.453 75 R N 1.164 121.690 120.500 0.044 0.000 2.096 75 R HA -0.065 4.277 4.340 0.003 0.000 0.235 75 R C 1.738 177.993 176.300 -0.075 0.000 1.127 75 R CA 1.197 57.285 56.100 -0.020 0.000 0.968 75 R CB -0.214 30.033 30.300 -0.089 0.000 0.861 75 R HN 0.168 nan 8.270 nan 0.000 0.440 76 L N 1.973 123.116 121.223 -0.134 0.000 2.611 76 L HA 0.147 4.489 4.340 0.003 0.000 0.229 76 L C 0.202 177.177 176.870 0.175 0.000 1.137 76 L CA -0.301 54.351 54.840 -0.313 0.000 0.901 76 L CB -0.382 41.395 42.059 -0.471 0.000 1.098 76 L HN 0.307 nan 8.230 nan 0.000 0.456 77 Q N 0.750 120.671 119.800 0.203 0.000 2.269 77 Q HA 0.118 4.459 4.340 0.003 0.000 0.300 77 Q C 0.998 177.180 176.000 0.304 0.000 1.070 77 Q CA 0.819 56.760 55.803 0.229 0.000 0.957 77 Q CB 0.268 29.091 28.738 0.142 0.000 1.131 77 Q HN 0.315 nan 8.270 nan 0.000 0.377 78 G N 2.370 111.343 108.800 0.288 0.000 2.241 78 G HA2 -0.297 3.665 3.960 0.003 0.000 0.244 78 G HA3 -0.297 3.665 3.960 0.003 0.000 0.244 78 G C -0.243 174.820 174.900 0.271 0.000 0.998 78 G CA -0.136 45.101 45.100 0.228 0.000 0.621 78 G HN 0.600 nan 8.290 nan 0.000 0.519 79 F N 3.266 123.308 119.950 0.153 0.000 2.608 79 F HA 0.409 4.938 4.527 0.003 0.000 0.380 79 F C 1.690 177.619 175.800 0.216 0.000 1.083 79 F CA 0.258 58.334 58.000 0.127 0.000 1.266 79 F CB 0.662 39.677 39.000 0.025 0.000 1.076 79 F HN 0.351 nan 8.300 nan 0.000 0.574 80 S N 4.131 119.987 115.700 0.260 0.000 2.584 80 S HA 0.199 4.671 4.470 0.003 0.000 0.270 80 S C -1.887 172.921 174.600 0.345 0.000 1.346 80 S CA -1.080 57.273 58.200 0.254 0.000 1.018 80 S CB 0.967 64.250 63.200 0.139 0.000 0.899 80 S HN 0.396 nan 8.310 nan 0.000 0.542 81 P HA 0.028 nan 4.420 nan 0.000 0.220 81 P C 1.394 178.824 177.300 0.217 0.000 1.148 81 P CA 1.425 64.739 63.100 0.357 0.000 0.803 81 P CB -0.227 31.626 31.700 0.254 0.000 0.782 82 A N -0.647 122.290 122.820 0.195 0.000 2.070 82 A HA -0.103 4.219 4.320 0.003 0.000 0.220 82 A C 2.055 179.790 177.584 0.250 0.000 1.159 82 A CA 1.650 53.801 52.037 0.190 0.000 0.656 82 A CB -1.200 17.943 19.000 0.238 0.000 0.800 82 A HN 0.145 nan 8.150 nan 0.000 0.453 83 S N -1.105 114.763 115.700 0.280 0.000 2.577 83 S HA 0.339 4.811 4.470 0.003 0.000 0.219 83 S C -0.049 174.730 174.600 0.297 0.000 0.962 83 S CA -0.020 58.416 58.200 0.392 0.000 0.921 83 S CB 0.162 63.575 63.200 0.354 0.000 0.789 83 S HN 0.195 nan 8.310 nan 0.000 0.497 84 V N 0.866 120.818 119.914 0.063 0.000 2.686 84 V HA 0.458 4.579 4.120 0.003 0.000 0.306 84 V C -0.775 175.271 176.094 -0.081 0.000 1.065 84 V CA -1.020 61.192 62.300 -0.148 0.000 0.894 84 V CB 1.604 33.001 31.823 -0.709 0.000 1.004 84 V HN 0.282 nan 8.190 nan 0.000 0.424 85 C N 6.880 126.142 119.300 -0.064 0.000 2.397 85 C HA 0.730 5.191 4.460 0.003 0.000 0.325 85 C C -0.601 174.369 174.990 -0.034 0.000 1.201 85 C CA -0.370 58.627 59.018 -0.036 0.000 1.377 85 C CB -0.215 27.507 27.740 -0.030 0.000 2.038 85 C HN 0.826 nan 8.230 nan 0.000 0.457 86 I N 7.131 127.694 120.570 -0.012 0.000 2.389 86 I HA 0.503 4.674 4.170 0.003 0.000 0.288 86 I C 0.069 176.185 176.117 -0.002 0.000 0.999 86 I CA -0.450 60.847 61.300 -0.004 0.000 1.129 86 I CB 1.593 39.603 38.000 0.017 0.000 1.288 86 I HN 0.571 nan 8.210 nan 0.000 0.444 87 V N 2.559 122.470 119.914 -0.005 0.000 2.667 87 V HA 0.969 5.090 4.120 0.003 0.000 0.308 87 V C 0.101 176.190 176.094 -0.008 0.000 1.048 87 V CA -0.400 61.901 62.300 0.002 0.000 0.928 87 V CB 1.557 33.387 31.823 0.012 0.000 1.004 87 V HN 0.771 nan 8.190 nan 0.000 0.444 88 G N 1.763 110.567 108.800 0.006 0.000 2.416 88 G HA2 0.695 4.657 3.960 0.003 0.000 0.329 88 G HA3 0.695 4.657 3.960 0.003 0.000 0.329 88 G C -0.155 174.760 174.900 0.024 0.000 1.173 88 G CA 0.108 45.210 45.100 0.004 0.000 0.929 88 G HN 1.304 nan 8.290 nan 0.000 0.475 89 T N -1.276 113.300 114.554 0.037 0.000 2.628 89 T HA 0.246 4.597 4.350 0.003 0.000 0.223 89 T C 1.503 176.244 174.700 0.069 0.000 0.959 89 T CA 0.351 62.488 62.100 0.061 0.000 1.113 89 T CB 0.105 69.019 68.868 0.076 0.000 2.140 89 T HN 0.521 nan 8.240 nan 0.000 0.516 90 H N 0.861 119.947 119.070 0.026 0.000 2.267 90 H HA -0.118 4.440 4.556 0.003 0.000 0.291 90 H C 2.086 177.429 175.328 0.024 0.000 1.094 90 H CA 3.169 59.231 56.048 0.024 0.000 1.227 90 H CB -1.000 28.776 29.762 0.023 0.000 1.351 90 H HN 0.567 nan 8.280 nan 0.000 0.483 91 T N 0.692 115.255 114.554 0.015 0.000 2.720 91 T HA -0.147 4.205 4.350 0.003 0.000 0.268 91 T C 2.171 176.804 174.700 -0.113 0.000 1.037 91 T CA 1.648 63.722 62.100 -0.043 0.000 1.144 91 T CB -0.287 68.622 68.868 0.069 0.000 0.864 91 T HN 0.265 nan 8.240 nan 0.000 0.444 92 L N -0.082 121.099 121.223 -0.070 0.000 2.341 92 L HA 0.108 4.450 4.340 0.003 0.000 0.214 92 L C 2.804 179.638 176.870 -0.060 0.000 1.115 92 L CA 0.640 55.449 54.840 -0.053 0.000 0.820 92 L CB -0.350 41.706 42.059 -0.005 0.000 0.944 92 L HN 0.119 nan 8.230 nan 0.000 0.452 93 R N -0.257 120.185 120.500 -0.096 0.000 2.081 93 R HA -0.169 4.173 4.340 0.003 0.000 0.235 93 R C 2.227 178.440 176.300 -0.144 0.000 1.131 93 R CA 1.284 57.322 56.100 -0.103 0.000 0.960 93 R CB -0.170 30.070 30.300 -0.101 0.000 0.856 93 R HN 0.443 nan 8.270 nan 0.000 0.436 94 Q N 0.094 119.741 119.800 -0.256 0.000 2.137 94 Q HA 0.076 4.418 4.340 0.003 0.000 0.198 94 Q C 0.175 176.113 176.000 -0.103 0.000 0.960 94 Q CA 0.382 56.058 55.803 -0.211 0.000 0.847 94 Q CB 0.238 28.784 28.738 -0.320 0.000 0.915 94 Q HN 0.209 nan 8.270 nan 0.000 0.448 95 A N 0.933 123.700 122.820 -0.089 0.000 2.522 95 A HA 0.024 4.346 4.320 0.003 0.000 0.256 95 A C 0.934 178.503 177.584 -0.025 0.000 1.086 95 A CA 0.108 52.116 52.037 -0.047 0.000 0.763 95 A CB 0.082 19.053 19.000 -0.048 0.000 1.024 95 A HN 0.395 nan 8.150 nan 0.000 0.502 96 L N 1.945 123.159 121.223 -0.014 0.000 2.217 96 L HA -0.097 4.245 4.340 0.003 0.000 0.211 96 L C 1.651 178.525 176.870 0.005 0.000 1.107 96 L CA 1.082 55.918 54.840 -0.006 0.000 0.783 96 L CB -0.302 41.755 42.059 -0.003 0.000 0.919 96 L HN 0.933 nan 8.230 nan 0.000 0.442 97 N N 0.122 118.832 118.700 0.015 0.000 2.320 97 N HA 0.083 4.825 4.740 0.003 0.000 0.237 97 N C 1.169 176.719 175.510 0.067 0.000 1.129 97 N CA 0.558 53.630 53.050 0.036 0.000 0.854 97 N CB 0.260 38.772 38.487 0.041 0.000 1.083 97 N HN 0.078 nan 8.380 nan 0.000 0.504 98 A N 0.554 123.407 122.820 0.055 0.000 1.940 98 A HA -0.199 4.123 4.320 0.003 0.000 0.219 98 A C 2.251 179.915 177.584 0.134 0.000 1.176 98 A CA 2.142 54.236 52.037 0.095 0.000 0.631 98 A CB -1.171 17.861 19.000 0.053 0.000 0.814 98 A HN 0.466 nan 8.150 nan 0.000 0.446 99 T N -1.272 113.328 114.554 0.077 0.000 2.951 99 T HA -0.140 4.211 4.350 0.003 0.000 0.268 99 T C 1.646 176.386 174.700 0.066 0.000 1.073 99 T CA 1.789 63.925 62.100 0.061 0.000 1.134 99 T CB -0.435 68.446 68.868 0.021 0.000 0.884 99 T HN 0.488 nan 8.240 nan 0.000 0.479 100 D N 0.010 120.459 120.400 0.081 0.000 2.084 100 D HA -0.101 4.541 4.640 0.003 0.000 0.194 100 D C 1.742 178.107 176.300 0.109 0.000 0.990 100 D CA 1.047 55.095 54.000 0.080 0.000 0.826 100 D CB -0.652 40.195 40.800 0.079 0.000 0.971 100 D HN 0.436 nan 8.370 nan 0.000 0.453 101 F N 0.462 120.423 119.950 0.018 0.000 2.091 101 F HA -0.200 4.328 4.527 0.001 0.000 0.299 101 F C 2.023 177.836 175.800 0.022 0.000 1.103 101 F CA 1.181 59.197 58.000 0.027 0.000 1.228 101 F CB -0.474 38.549 39.000 0.039 0.000 0.984 101 F HN 0.018 nan 8.300 nan 0.000 0.477 102 L N 0.553 121.786 121.223 0.016 0.000 2.083 102 L HA -0.199 4.143 4.340 0.003 0.000 0.209 102 L C 2.383 179.186 176.870 -0.113 0.000 1.083 102 L CA 1.752 56.543 54.840 -0.081 0.000 0.752 102 L CB -0.967 41.114 42.059 0.037 0.000 0.899 102 L HN 0.082 nan 8.230 nan 0.000 0.433 103 K N -0.939 119.428 120.400 -0.055 0.000 2.026 103 K HA -0.134 4.188 4.320 0.003 0.000 0.208 103 K C 2.204 178.755 176.600 -0.082 0.000 1.048 103 K CA 1.270 57.531 56.287 -0.044 0.000 0.929 103 K CB -0.146 32.350 32.500 -0.006 0.000 0.713 103 K HN 0.244 nan 8.250 nan 0.000 0.439 104 R N 0.265 120.698 120.500 -0.112 0.000 2.096 104 R HA -0.083 4.259 4.340 0.003 0.000 0.235 104 R C 2.304 178.485 176.300 -0.199 0.000 1.127 104 R CA 1.158 57.179 56.100 -0.132 0.000 0.968 104 R CB -0.309 29.923 30.300 -0.114 0.000 0.861 104 R HN 0.180 nan 8.270 nan 0.000 0.440 105 A N 1.446 124.070 122.820 -0.328 0.000 2.015 105 A HA -0.171 4.151 4.320 0.003 0.000 0.219 105 A C 1.766 179.249 177.584 -0.168 0.000 1.163 105 A CA 1.176 53.019 52.037 -0.323 0.000 0.646 105 A CB -0.253 18.460 19.000 -0.479 0.000 0.806 105 A HN 0.332 nan 8.150 nan 0.000 0.448 106 E N -0.013 120.109 120.200 -0.130 0.000 2.209 106 E HA -0.199 4.152 4.350 0.003 0.000 0.196 106 E C 1.659 178.213 176.600 -0.077 0.000 0.993 106 E CA 1.335 57.683 56.400 -0.088 0.000 0.819 106 E CB -0.128 29.533 29.700 -0.064 0.000 0.745 106 E HN 0.631 nan 8.360 nan 0.000 0.477 107 K N 0.242 120.597 120.400 -0.076 0.000 2.365 107 K HA -0.027 4.295 4.320 0.003 0.000 0.197 107 K C 2.048 178.616 176.600 -0.053 0.000 1.042 107 K CA 0.872 57.125 56.287 -0.057 0.000 0.987 107 K CB 0.511 32.983 32.500 -0.047 0.000 0.779 107 K HN 0.105 nan 8.250 nan 0.000 0.484 108 V N -2.078 117.798 119.914 -0.063 0.000 3.379 108 V HA 0.327 4.449 4.120 0.003 0.000 0.249 108 V C 0.606 176.687 176.094 -0.023 0.000 1.184 108 V CA -0.020 62.255 62.300 -0.041 0.000 1.106 108 V CB 0.199 31.995 31.823 -0.044 0.000 0.826 108 V HN 0.096 nan 8.190 nan 0.000 0.465 109 I N 2.040 122.590 120.570 -0.034 0.000 2.534 109 I HA 0.527 4.699 4.170 0.003 0.000 0.288 109 I C -2.580 173.485 176.117 -0.086 0.000 1.077 109 I CA -2.291 59.010 61.300 0.002 0.000 1.051 109 I CB 3.018 41.075 38.000 0.094 0.000 1.234 109 I HN -0.016 nan 8.210 nan 0.000 0.425 110 P HA 0.190 nan 4.420 nan 0.000 0.236 110 P C -1.434 175.469 177.300 -0.662 0.000 1.709 110 P CA 0.181 63.028 63.100 -0.421 0.000 0.942 110 P CB -0.534 30.889 31.700 -0.462 0.000 1.615 111 Y N 0.876 121.174 120.300 -0.004 0.000 2.442 111 Y HA 0.422 4.974 4.550 0.003 0.000 0.344 111 Y C -2.003 173.880 175.900 -0.028 0.000 0.976 111 Y CA -3.088 55.009 58.100 -0.005 0.000 1.040 111 Y CB 1.246 39.712 38.460 0.009 0.000 1.228 111 Y HN -0.084 nan 8.280 nan 0.000 0.451 112 P HA 0.225 nan 4.420 nan 0.000 0.271 112 P C -0.557 176.757 177.300 0.024 0.000 1.218 112 P CA 0.102 63.209 63.100 0.012 0.000 0.780 112 P CB 1.349 33.022 31.700 -0.045 0.000 0.901 113 I N 2.204 122.773 120.570 -0.001 0.000 2.336 113 I HA 0.197 4.368 4.170 0.003 0.000 0.292 113 I C 0.645 176.765 176.117 0.005 0.000 0.991 113 I CA -0.355 60.950 61.300 0.007 0.000 1.227 113 I CB 0.889 38.895 38.000 0.010 0.000 1.366 113 I HN 0.227 nan 8.210 nan 0.000 0.466 114 E N 7.228 127.435 120.200 0.010 0.000 2.101 114 E HA 0.414 4.765 4.350 0.003 0.000 0.260 114 E C -0.686 175.933 176.600 0.032 0.000 0.897 114 E CA -0.479 55.932 56.400 0.018 0.000 0.744 114 E CB 1.541 31.250 29.700 0.015 0.000 1.140 114 E HN 0.471 nan 8.360 nan 0.000 0.419 115 I N 4.798 125.393 120.570 0.043 0.000 2.588 115 I HA 0.138 4.309 4.170 0.003 0.000 0.283 115 I C 0.506 176.654 176.117 0.052 0.000 1.119 115 I CA -0.016 61.311 61.300 0.044 0.000 1.419 115 I CB 0.185 38.212 38.000 0.044 0.000 1.394 115 I HN 0.456 nan 8.210 nan 0.000 0.562 116 I N 2.037 122.636 120.570 0.047 0.000 2.785 116 I HA 0.558 4.729 4.170 0.003 0.000 0.302 116 I C 0.220 176.367 176.117 0.051 0.000 1.069 116 I CA -0.734 60.599 61.300 0.056 0.000 1.045 116 I CB 2.064 40.096 38.000 0.053 0.000 1.236 116 I HN 0.581 nan 8.210 nan 0.000 0.429 117 S N 2.819 118.551 115.700 0.053 0.000 2.600 117 S HA 0.296 4.767 4.470 0.003 0.000 0.265 117 S C 1.270 175.899 174.600 0.049 0.000 1.325 117 S CA -0.024 58.203 58.200 0.045 0.000 1.002 117 S CB 1.144 64.368 63.200 0.039 0.000 0.921 117 S HN 1.038 nan 8.310 nan 0.000 0.554 118 G N 1.477 110.308 108.800 0.050 0.000 2.440 118 G HA2 -0.247 3.715 3.960 0.003 0.000 0.218 118 G HA3 -0.247 3.715 3.960 0.003 0.000 0.218 118 G C 1.266 176.191 174.900 0.042 0.000 1.154 118 G CA 0.742 45.873 45.100 0.053 0.000 0.767 118 G HN 0.715 nan 8.290 nan 0.000 0.552 119 N N 0.261 118.984 118.700 0.038 0.000 2.270 119 N HA -0.032 4.710 4.740 0.003 0.000 0.181 119 N C 2.051 177.587 175.510 0.043 0.000 1.016 119 N CA 1.164 54.236 53.050 0.036 0.000 0.870 119 N CB -0.211 38.294 38.487 0.029 0.000 0.979 119 N HN 0.380 nan 8.380 nan 0.000 0.431 120 E N 1.300 121.530 120.200 0.050 0.000 2.072 120 E HA -0.133 4.219 4.350 0.003 0.000 0.191 120 E C 1.744 178.380 176.600 0.061 0.000 0.985 120 E CA 1.039 57.475 56.400 0.060 0.000 0.801 120 E CB -0.132 29.608 29.700 0.067 0.000 0.750 120 E HN 0.420 nan 8.360 nan 0.000 0.452 121 E N -0.308 119.925 120.200 0.054 0.000 2.058 121 E HA -0.259 4.092 4.350 0.003 0.000 0.194 121 E C 1.937 178.569 176.600 0.055 0.000 0.997 121 E CA 1.292 57.722 56.400 0.051 0.000 0.801 121 E CB -0.283 29.445 29.700 0.047 0.000 0.746 121 E HN 0.324 nan 8.360 nan 0.000 0.450 122 A N 1.261 124.112 122.820 0.051 0.000 1.883 122 A HA -0.219 4.103 4.320 0.003 0.000 0.217 122 A C 2.193 179.832 177.584 0.091 0.000 1.186 122 A CA 1.757 53.828 52.037 0.056 0.000 0.624 122 A CB -0.563 18.460 19.000 0.039 0.000 0.822 122 A HN 0.219 nan 8.150 nan 0.000 0.444 123 R N -0.802 119.750 120.500 0.086 0.000 2.096 123 R HA -0.022 4.319 4.340 0.003 0.000 0.235 123 R C 2.023 178.435 176.300 0.186 0.000 1.127 123 R CA 1.359 57.539 56.100 0.133 0.000 0.968 123 R CB -0.453 29.904 30.300 0.096 0.000 0.861 123 R HN 0.523 nan 8.270 nan 0.000 0.440 124 L N 0.150 121.450 121.223 0.128 0.000 2.109 124 L HA -0.134 4.208 4.340 0.003 0.000 0.207 124 L C 2.214 179.147 176.870 0.105 0.000 1.086 124 L CA 1.035 55.945 54.840 0.116 0.000 0.760 124 L CB -0.260 41.847 42.059 0.080 0.000 0.910 124 L HN 0.147 nan 8.230 nan 0.000 0.437 125 I N -1.118 119.508 120.570 0.094 0.000 2.179 125 I HA -0.252 3.920 4.170 0.003 0.000 0.242 125 I C 1.538 177.699 176.117 0.073 0.000 1.088 125 I CA 0.604 61.942 61.300 0.065 0.000 1.357 125 I CB -0.203 37.826 38.000 0.049 0.000 1.051 125 I HN 0.038 nan 8.210 nan 0.000 0.409 129 V N 1.699 121.496 119.914 -0.195 0.000 2.307 129 V HA -0.078 4.044 4.120 0.003 0.000 0.245 129 V C 2.661 178.523 176.094 -0.387 0.000 1.045 129 V CA 2.387 64.536 62.300 -0.252 0.000 1.024 129 V CB -0.283 31.391 31.823 -0.248 0.000 0.651 129 V HN 0.282 nan 8.190 nan 0.000 0.449 130 E N -0.574 119.229 120.200 -0.662 0.000 2.110 130 E HA -0.205 4.147 4.350 0.003 0.000 0.193 130 E C 2.156 178.325 176.600 -0.719 0.000 0.988 130 E CA 1.232 57.058 56.400 -0.957 0.000 0.804 130 E CB -0.352 28.406 29.700 -1.570 0.000 0.745 130 E HN 0.675 nan 8.360 nan 0.000 0.458 131 H N -0.434 118.390 119.070 -0.410 0.000 2.529 131 H HA 0.016 4.574 4.556 0.003 0.000 0.277 131 H C 1.918 177.075 175.328 -0.286 0.000 0.999 131 H CA 1.724 57.552 56.048 -0.366 0.000 1.256 131 H CB 0.476 29.657 29.762 -0.968 0.000 1.402 131 H HN 0.286 nan 8.280 nan 0.000 0.566 132 T N -2.757 111.737 114.554 -0.100 0.000 2.955 132 T HA 0.098 4.450 4.350 0.003 0.000 0.251 132 T C 0.762 175.436 174.700 -0.044 0.000 1.002 132 T CA -0.335 61.750 62.100 -0.024 0.000 0.970 132 T CB 0.724 69.604 68.868 0.020 0.000 1.091 132 T HN -0.090 nan 8.240 nan 0.000 0.495 133 Q N 2.307 122.047 119.800 -0.100 0.000 2.241 133 Q HA 0.364 4.706 4.340 0.003 0.000 0.254 133 Q C -1.927 174.024 176.000 -0.082 0.000 0.917 133 Q CA -2.369 53.382 55.803 -0.088 0.000 0.919 133 Q CB 1.843 30.515 28.738 -0.111 0.000 1.237 133 Q HN 0.221 nan 8.270 nan 0.000 0.434 134 P HA 0.026 nan 4.420 nan 0.000 0.245 134 P C -0.500 176.777 177.300 -0.038 0.000 1.206 134 P CA 0.218 63.297 63.100 -0.034 0.000 0.781 134 P CB 0.754 32.445 31.700 -0.014 0.000 0.994 135 E N 1.205 121.377 120.200 -0.046 0.000 2.413 135 E HA 0.105 4.456 4.350 0.003 0.000 0.263 135 E C 0.486 177.057 176.600 -0.049 0.000 1.015 135 E CA 0.362 56.740 56.400 -0.036 0.000 0.916 135 E CB 0.375 30.057 29.700 -0.031 0.000 0.947 135 E HN 0.014 nan 8.360 nan 0.000 0.440 136 K N 1.192 121.574 120.400 -0.030 0.000 2.106 136 K HA 0.777 5.099 4.320 0.003 0.000 0.246 136 K C 0.371 176.960 176.600 -0.019 0.000 0.987 136 K CA -0.340 55.929 56.287 -0.030 0.000 0.904 136 K CB 1.412 33.904 32.500 -0.015 0.000 1.071 136 K HN 0.725 nan 8.250 nan 0.000 0.453 137 G N 0.383 109.173 108.800 -0.017 0.000 2.479 137 G HA2 -0.148 3.814 3.960 0.003 0.000 0.686 137 G HA3 -0.148 3.814 3.960 0.003 0.000 0.686 137 G C -1.155 173.752 174.900 0.012 0.000 1.295 137 G CA -0.932 44.169 45.100 0.002 0.000 0.922 137 G HN 0.555 nan 8.290 nan 0.000 0.582 138 R N 0.560 121.079 120.500 0.032 0.000 2.449 138 R HA 0.411 4.753 4.340 0.003 0.000 0.296 138 R C 0.153 176.519 176.300 0.109 0.000 1.047 138 R CA 0.212 56.347 56.100 0.058 0.000 1.018 138 R CB 0.157 30.483 30.300 0.043 0.000 0.962 138 R HN 0.458 nan 8.270 nan 0.000 0.428 139 K N 4.430 124.898 120.400 0.113 0.000 2.182 139 K HA 0.256 4.578 4.320 0.003 0.000 0.262 139 K C -0.972 175.669 176.600 0.068 0.000 0.957 139 K CA -0.988 55.358 56.287 0.098 0.000 0.842 139 K CB 1.680 34.215 32.500 0.058 0.000 1.099 139 K HN 0.293 nan 8.250 nan 0.000 0.438 140 L N 3.109 124.283 121.223 -0.081 0.000 2.275 140 L HA 0.315 4.657 4.340 0.003 0.000 0.288 140 L C -1.148 175.605 176.870 -0.196 0.000 1.046 140 L CA -0.337 54.329 54.840 -0.290 0.000 0.805 140 L CB 1.411 42.869 42.059 -1.003 0.000 1.193 140 L HN 0.330 nan 8.230 nan 0.000 0.426 141 V N 7.171 127.039 119.914 -0.077 0.000 2.378 141 V HA 0.468 4.589 4.120 0.003 0.000 0.288 141 V C -0.034 176.023 176.094 -0.061 0.000 1.016 141 V CA -0.343 61.936 62.300 -0.035 0.000 0.840 141 V CB 1.416 33.294 31.823 0.091 0.000 0.994 141 V HN 0.634 nan 8.190 nan 0.000 0.431 142 I N 4.392 124.905 120.570 -0.095 0.000 2.404 142 I HA 0.490 4.661 4.170 0.003 0.000 0.293 142 I C -0.524 175.557 176.117 -0.061 0.000 0.992 142 I CA -0.096 61.148 61.300 -0.094 0.000 1.149 142 I CB 1.802 39.725 38.000 -0.128 0.000 1.315 142 I HN 0.507 nan 8.210 nan 0.000 0.446 143 D N 7.898 128.264 120.400 -0.057 0.000 2.542 143 D HA 0.386 5.028 4.640 0.003 0.000 0.252 143 D C -0.908 175.353 176.300 -0.066 0.000 1.222 143 D CA -0.336 53.636 54.000 -0.048 0.000 0.895 143 D CB 1.382 42.163 40.800 -0.032 0.000 1.207 143 D HN 0.323 nan 8.370 nan 0.000 0.558 144 I N 3.327 123.856 120.570 -0.068 0.000 2.297 144 I HA 0.386 4.558 4.170 0.003 0.000 0.291 144 I C 1.213 177.283 176.117 -0.078 0.000 1.033 144 I CA -0.440 60.803 61.300 -0.095 0.000 1.253 144 I CB 1.607 39.543 38.000 -0.107 0.000 1.396 144 I HN 0.260 nan 8.210 nan 0.000 0.476 145 G N 3.302 112.050 108.800 -0.087 0.000 2.613 145 G HA2 0.429 4.391 3.960 0.003 0.000 0.303 145 G HA3 0.429 4.391 3.960 0.003 0.000 0.303 145 G C 0.953 175.814 174.900 -0.065 0.000 1.312 145 G CA -0.169 44.898 45.100 -0.056 0.000 1.036 145 G HN 0.665 nan 8.290 nan 0.000 0.513 146 G N -0.968 107.821 108.800 -0.018 0.000 2.418 146 G HA2 0.167 4.128 3.960 0.003 0.000 0.217 146 G HA3 0.167 4.128 3.960 0.003 0.000 0.217 146 G C 1.308 176.172 174.900 -0.061 0.000 1.158 146 G CA 1.618 46.717 45.100 -0.001 0.000 0.771 146 G HN 1.060 nan 8.290 nan 0.000 0.545 147 G N -1.044 107.665 108.800 -0.151 0.000 2.759 147 G HA2 0.406 4.368 3.960 0.003 0.000 0.208 147 G HA3 0.406 4.368 3.960 0.003 0.000 0.208 147 G C 0.496 174.956 174.900 -0.733 0.000 1.076 147 G CA 1.048 45.852 45.100 -0.494 0.000 0.789 147 G HN 0.871 nan 8.290 nan 0.000 0.546 148 S N -0.879 114.592 115.700 -0.382 0.000 2.627 148 S HA 0.762 5.233 4.470 0.003 0.000 0.283 148 S C -1.181 173.324 174.600 -0.158 0.000 1.127 148 S CA -0.528 57.521 58.200 -0.251 0.000 0.863 148 S CB 2.349 65.486 63.200 -0.105 0.000 1.121 148 S HN -0.057 nan 8.310 nan 0.000 0.479 149 T N 1.847 116.319 114.554 -0.137 0.000 2.879 149 T HA 0.593 4.944 4.350 0.003 0.000 0.290 149 T C -1.430 173.215 174.700 -0.091 0.000 0.993 149 T CA -0.424 61.601 62.100 -0.125 0.000 0.975 149 T CB 1.521 70.287 68.868 -0.171 0.000 0.981 149 T HN 0.669 nan 8.240 nan 0.000 0.439 150 E N 2.000 122.159 120.200 -0.069 0.000 2.195 150 E HA 0.698 5.050 4.350 0.003 0.000 0.271 150 E C -1.172 175.396 176.600 -0.054 0.000 0.923 150 E CA -0.620 55.754 56.400 -0.044 0.000 0.790 150 E CB 1.312 31.007 29.700 -0.008 0.000 1.155 150 E HN 0.306 nan 8.360 nan 0.000 0.402 151 L N 2.145 123.343 121.223 -0.042 0.000 2.406 151 L HA 0.585 4.926 4.340 0.003 0.000 0.272 151 L C -1.238 175.734 176.870 0.170 0.000 0.980 151 L CA -0.719 54.110 54.840 -0.019 0.000 0.831 151 L CB 1.757 43.672 42.059 -0.240 0.000 1.253 151 L HN 0.262 nan 8.230 nan 0.000 0.406 152 V N 3.954 123.960 119.914 0.152 0.000 2.709 152 V HA 0.554 4.676 4.120 0.003 0.000 0.308 152 V C -0.305 175.754 176.094 -0.059 0.000 1.062 152 V CA -0.482 61.842 62.300 0.040 0.000 0.901 152 V CB 2.477 34.248 31.823 -0.086 0.000 1.003 152 V HN 0.530 nan 8.190 nan 0.000 0.425 153 I N 3.108 123.519 120.570 -0.265 0.000 2.404 153 I HA 0.862 5.034 4.170 0.003 0.000 0.293 153 I C 0.595 176.491 176.117 -0.368 0.000 0.992 153 I CA 0.000 61.137 61.300 -0.273 0.000 1.149 153 I CB 1.921 39.719 38.000 -0.336 0.000 1.315 153 I HN 0.809 nan 8.210 nan 0.000 0.446 154 G N 4.567 113.220 108.800 -0.244 0.000 2.608 154 G HA2 0.698 4.660 3.960 0.003 0.000 0.291 154 G HA3 0.698 4.660 3.960 0.003 0.000 0.291 154 G C -1.942 173.035 174.900 0.129 0.000 1.425 154 G CA -0.502 44.437 45.100 -0.269 0.000 0.787 154 G HN 0.657 nan 8.290 nan 0.000 0.484 155 E N -1.097 119.198 120.200 0.158 0.000 2.390 155 E HA 0.486 4.838 4.350 0.003 0.000 0.280 155 E C -0.276 176.392 176.600 0.112 0.000 0.992 155 E CA -0.967 55.507 56.400 0.123 0.000 0.790 155 E CB 1.634 31.363 29.700 0.047 0.000 1.248 155 E HN 0.632 nan 8.360 nan 0.000 0.447 156 N N 0.917 119.640 118.700 0.038 0.000 2.740 156 N HA -0.259 4.482 4.740 0.003 0.000 0.248 156 N C -0.847 174.852 175.510 0.314 0.000 1.062 156 N CA 1.292 54.437 53.050 0.158 0.000 0.704 156 N CB -1.665 36.904 38.487 0.138 0.000 0.968 156 N HN 0.799 nan 8.380 nan 0.000 0.547 157 F N -2.822 117.145 119.950 0.030 0.000 2.988 157 F HA -0.277 4.252 4.527 0.003 0.000 0.287 157 F C 0.235 176.168 175.800 0.221 0.000 0.781 157 F CA 1.209 59.232 58.000 0.038 0.000 1.221 157 F CB -1.112 37.826 39.000 -0.103 0.000 1.392 157 F HN 0.225 nan 8.300 nan 0.000 0.425 158 E N 0.230 120.647 120.200 0.361 0.000 2.244 158 E HA 0.401 4.752 4.350 0.003 0.000 0.260 158 E C -2.414 174.163 176.600 -0.039 0.000 0.884 158 E CA -1.923 54.585 56.400 0.180 0.000 0.777 158 E CB 1.866 31.625 29.700 0.099 0.000 1.197 158 E HN -0.172 nan 8.360 nan 0.000 0.416 159 P HA 0.287 nan 4.420 nan 0.000 0.274 159 P C 0.385 177.500 177.300 -0.310 0.000 1.231 159 P CA -0.102 62.633 63.100 -0.608 0.000 0.790 159 P CB 1.114 32.491 31.700 -0.537 0.000 0.951 160 I N 0.396 120.772 120.570 -0.323 0.000 3.136 160 I HA 0.141 4.312 4.170 0.003 0.000 0.262 160 I C 0.409 176.399 176.117 -0.212 0.000 1.132 160 I CA 0.559 61.730 61.300 -0.213 0.000 1.450 160 I CB 0.170 38.053 38.000 -0.195 0.000 1.315 160 I HN 0.106 nan 8.210 nan 0.000 0.460 161 L N 1.268 122.316 121.223 -0.291 0.000 2.362 161 L HA 0.591 4.933 4.340 0.003 0.000 0.275 161 L C -1.295 175.494 176.870 -0.135 0.000 0.998 161 L CA -0.690 53.996 54.840 -0.256 0.000 0.820 161 L CB 2.486 44.191 42.059 -0.589 0.000 1.270 161 L HN -0.254 nan 8.230 nan 0.000 0.415 162 V N 2.500 122.425 119.914 0.018 0.000 2.524 162 V HA 0.525 4.647 4.120 0.003 0.000 0.297 162 V C -0.625 175.542 176.094 0.122 0.000 1.035 162 V CA -0.605 61.726 62.300 0.051 0.000 0.867 162 V CB 2.002 33.816 31.823 -0.015 0.000 1.004 162 V HN 0.673 nan 8.190 nan 0.000 0.426 163 E N 1.926 122.206 120.200 0.134 0.000 2.393 163 E HA 0.714 5.066 4.350 0.003 0.000 0.273 163 E C -1.065 175.535 176.600 0.000 0.000 0.918 163 E CA -0.563 55.868 56.400 0.052 0.000 0.773 163 E CB 2.616 32.307 29.700 -0.015 0.000 1.275 163 E HN 0.526 nan 8.360 nan 0.000 0.451 164 S N 0.819 116.512 115.700 -0.012 0.000 2.540 164 S HA 0.658 5.130 4.470 0.003 0.000 0.275 164 S C -1.255 173.328 174.600 -0.028 0.000 1.123 164 S CA -0.750 57.439 58.200 -0.019 0.000 0.907 164 S CB 0.923 64.129 63.200 0.011 0.000 1.081 164 S HN 0.292 nan 8.310 nan 0.000 0.476 165 R N 2.465 122.935 120.500 -0.050 0.000 2.750 165 R HA 0.505 4.847 4.340 0.003 0.000 0.281 165 R C -0.180 176.091 176.300 -0.050 0.000 0.972 165 R CA -0.757 55.316 56.100 -0.047 0.000 0.912 165 R CB 1.503 31.756 30.300 -0.077 0.000 1.187 165 R HN 0.699 nan 8.270 nan 0.000 0.464 169 C N -0.966 118.280 119.300 -0.090 0.000 2.440 169 C HA 0.111 4.572 4.460 0.003 0.000 0.278 169 C C 2.490 177.527 174.990 0.077 0.000 1.295 169 C CA 1.366 60.373 59.018 -0.018 0.000 1.738 169 C CB -1.426 26.286 27.740 -0.047 0.000 1.987 169 C HN 0.455 nan 8.230 nan 0.000 0.492 170 V N 2.952 122.910 119.914 0.074 0.000 2.270 170 V HA -0.155 3.967 4.120 0.003 0.000 0.245 170 V C 3.128 179.321 176.094 0.164 0.000 1.043 170 V CA 2.616 64.985 62.300 0.114 0.000 1.014 170 V CB -1.120 30.763 31.823 0.100 0.000 0.645 170 V HN 0.791 nan 8.190 nan 0.000 0.447 171 S N -0.221 115.579 115.700 0.165 0.000 2.399 171 S HA -0.162 4.309 4.470 0.003 0.000 0.231 171 S C 1.875 176.699 174.600 0.374 0.000 1.022 171 S CA 1.447 59.783 58.200 0.226 0.000 0.983 171 S CB -0.635 62.686 63.200 0.202 0.000 0.803 171 S HN 0.402 nan 8.310 nan 0.000 0.480 172 F N 2.257 122.296 119.950 0.148 0.000 2.512 172 F HA 0.449 4.977 4.527 0.002 0.000 0.296 172 F C 2.622 178.665 175.800 0.405 0.000 1.110 172 F CA -0.646 57.529 58.000 0.290 0.000 1.446 172 F CB -1.038 38.131 39.000 0.282 0.000 1.092 172 F HN 0.295 nan 8.300 nan 0.000 0.554 173 A N -0.146 122.960 122.820 0.477 0.000 1.865 173 A HA -0.280 4.042 4.320 0.003 0.000 0.217 173 A C 2.264 180.086 177.584 0.397 0.000 1.191 173 A CA 1.983 54.320 52.037 0.501 0.000 0.623 173 A CB -1.001 18.223 19.000 0.373 0.000 0.826 173 A HN 0.433 nan 8.150 nan 0.000 0.444 174 Q N -0.575 119.359 119.800 0.224 0.000 2.079 174 Q HA -0.100 4.241 4.340 0.003 0.000 0.200 174 Q C 2.052 178.041 176.000 -0.018 0.000 0.974 174 Q CA 1.427 57.287 55.803 0.095 0.000 0.840 174 Q CB -0.202 28.574 28.738 0.064 0.000 0.898 174 Q HN 0.659 nan 8.270 nan 0.000 0.430 175 L N -0.757 120.400 121.223 -0.110 0.000 2.072 175 L HA -0.140 4.202 4.340 0.003 0.000 0.205 175 L C 1.436 177.890 176.870 -0.693 0.000 1.079 175 L CA 1.155 55.699 54.840 -0.494 0.000 0.752 175 L CB -0.049 41.509 42.059 -0.835 0.000 0.906 175 L HN 0.306 nan 8.230 nan 0.000 0.436 176 Y N -2.995 117.197 120.300 -0.180 0.000 2.426 176 Y HA 0.192 4.744 4.550 0.004 0.000 0.249 176 Y C 0.212 175.745 175.900 -0.612 0.000 1.103 176 Y CA -0.487 57.344 58.100 -0.448 0.000 1.256 176 Y CB 0.534 38.607 38.460 -0.645 0.000 1.208 176 Y HN -0.070 nan 8.280 nan 0.000 0.519 177 F N 1.109 121.127 119.950 0.113 0.000 2.542 177 F HA 0.436 4.965 4.527 0.002 0.000 0.323 177 F C -2.662 173.091 175.800 -0.078 0.000 1.411 177 F CA -2.744 55.290 58.000 0.056 0.000 1.124 177 F CB 0.325 39.446 39.000 0.201 0.000 1.331 177 F HN -0.212 nan 8.300 nan 0.000 0.560 178 P HA 0.153 nan 4.420 nan 0.000 0.265 178 P C 1.033 178.298 177.300 -0.058 0.000 1.193 178 P CA 0.957 64.042 63.100 -0.025 0.000 0.765 178 P CB 0.918 32.588 31.700 -0.050 0.000 0.823 179 G N 2.666 111.423 108.800 -0.070 0.000 2.189 179 G HA2 -0.170 3.792 3.960 0.003 0.000 0.267 179 G HA3 -0.170 3.792 3.960 0.003 0.000 0.267 179 G C 0.856 175.638 174.900 -0.196 0.000 0.975 179 G CA 0.462 45.505 45.100 -0.096 0.000 0.644 179 G HN 1.102 nan 8.290 nan 0.000 0.537 180 G N -2.328 106.244 108.800 -0.380 0.000 2.141 180 G HA2 0.009 3.971 3.960 0.003 0.000 0.242 180 G HA3 0.009 3.971 3.960 0.003 0.000 0.242 180 G C 0.363 174.762 174.900 -0.835 0.000 0.982 180 G CA 0.478 44.985 45.100 -0.988 0.000 0.662 180 G HN 1.651 nan 8.290 nan 0.000 0.527 181 V N 1.980 121.693 119.914 -0.336 0.000 2.439 181 V HA 0.365 4.487 4.120 0.003 0.000 0.271 181 V C 1.069 177.230 176.094 0.111 0.000 1.040 181 V CA 0.019 62.267 62.300 -0.086 0.000 1.002 181 V CB 0.961 32.772 31.823 -0.020 0.000 1.000 181 V HN 0.327 nan 8.190 nan 0.000 0.477 182 I N 6.562 127.239 120.570 0.177 0.000 2.325 182 I HA 0.451 4.623 4.170 0.003 0.000 0.291 182 I C 0.027 176.295 176.117 0.251 0.000 1.019 182 I CA -0.085 61.423 61.300 0.346 0.000 1.302 182 I CB 0.891 39.090 38.000 0.331 0.000 1.401 182 I HN 0.906 nan 8.210 nan 0.000 0.485 183 N N 4.232 123.104 118.700 0.286 0.000 2.927 183 N HA 0.186 4.928 4.740 0.003 0.000 0.248 183 N C 0.006 175.641 175.510 0.208 0.000 1.443 183 N CA -1.104 52.057 53.050 0.184 0.000 0.870 183 N CB 1.029 39.583 38.487 0.112 0.000 1.444 183 N HN 0.330 nan 8.380 nan 0.000 0.519 184 K N -0.350 120.135 120.400 0.141 0.000 2.113 184 K HA -0.184 4.137 4.320 0.003 0.000 0.208 184 K C 0.455 177.143 176.600 0.147 0.000 1.047 184 K CA 1.872 58.245 56.287 0.144 0.000 0.928 184 K CB -0.023 32.526 32.500 0.082 0.000 0.716 184 K HN 0.603 nan 8.250 nan 0.000 0.446 185 E N 0.445 120.699 120.200 0.090 0.000 2.072 185 E HA -0.100 4.252 4.350 0.003 0.000 0.190 185 E C 1.798 178.395 176.600 -0.005 0.000 0.982 185 E CA 1.092 57.516 56.400 0.040 0.000 0.803 185 E CB -0.125 29.586 29.700 0.019 0.000 0.755 185 E HN 0.299 nan 8.360 nan 0.000 0.453 186 N N -0.031 118.658 118.700 -0.018 0.000 2.120 186 N HA -0.157 4.585 4.740 0.003 0.000 0.188 186 N C 1.527 176.849 175.510 -0.313 0.000 1.024 186 N CA 0.852 53.765 53.050 -0.228 0.000 0.852 186 N CB -0.408 37.946 38.487 -0.221 0.000 1.003 186 N HN 0.125 nan 8.380 nan 0.000 0.424 187 F N 1.449 121.387 119.950 -0.020 0.000 2.146 187 F HA -0.140 4.389 4.527 0.003 0.000 0.298 187 F C 2.558 178.373 175.800 0.026 0.000 1.096 187 F CA 1.201 59.302 58.000 0.169 0.000 1.275 187 F CB -0.166 38.993 39.000 0.265 0.000 1.008 187 F HN -0.018 nan 8.300 nan 0.000 0.480 188 Q N 0.505 120.387 119.800 0.136 0.000 2.084 188 Q HA -0.163 4.179 4.340 0.003 0.000 0.202 188 Q C 2.323 178.233 176.000 -0.150 0.000 0.978 188 Q CA 1.711 57.527 55.803 0.021 0.000 0.844 188 Q CB -0.225 28.550 28.738 0.061 0.000 0.898 188 Q HN 0.304 nan 8.270 nan 0.000 0.426 189 R N -0.829 119.545 120.500 -0.210 0.000 2.081 189 R HA -0.075 4.267 4.340 0.003 0.000 0.235 189 R C 2.172 178.051 176.300 -0.701 0.000 1.131 189 R CA 1.160 57.070 56.100 -0.317 0.000 0.960 189 R CB -0.392 29.796 30.300 -0.187 0.000 0.856 189 R HN 0.334 nan 8.270 nan 0.000 0.436 190 A N 1.227 123.550 122.820 -0.828 0.000 1.930 190 A HA -0.133 4.189 4.320 0.003 0.000 0.217 190 A C 1.495 178.832 177.584 -0.412 0.000 1.175 190 A CA 0.543 52.026 52.037 -0.925 0.000 0.627 190 A CB -0.338 18.420 19.000 -0.404 0.000 0.815 190 A HN 0.219 nan 8.150 nan 0.000 0.443 194 A N 0.591 123.481 122.820 0.117 0.000 1.930 194 A HA 0.329 4.650 4.320 0.003 0.000 0.217 194 A C 2.322 179.907 177.584 0.001 0.000 1.175 194 A CA 2.420 54.495 52.037 0.064 0.000 0.627 194 A CB -0.867 18.121 19.000 -0.020 0.000 0.815 194 A HN 1.586 nan 8.150 nan 0.000 0.443 195 A N -0.806 122.011 122.820 -0.005 0.000 1.930 195 A HA -0.183 4.139 4.320 0.003 0.000 0.217 195 A C 2.181 179.766 177.584 0.001 0.000 1.175 195 A CA 1.654 53.688 52.037 -0.006 0.000 0.627 195 A CB -0.551 18.451 19.000 0.003 0.000 0.815 195 A HN 0.658 nan 8.150 nan 0.000 0.443 196 Q N -0.107 119.698 119.800 0.009 0.000 2.096 196 Q HA -0.230 4.112 4.340 0.003 0.000 0.204 196 Q C 1.903 177.916 176.000 0.021 0.000 0.982 196 Q CA 1.998 57.811 55.803 0.017 0.000 0.850 196 Q CB -0.163 28.587 28.738 0.021 0.000 0.901 196 Q HN 0.636 nan 8.270 nan 0.000 0.422 197 K N -0.131 120.288 120.400 0.032 0.000 2.280 197 K HA -0.059 4.262 4.320 0.003 0.000 0.202 197 K C 1.620 178.207 176.600 -0.022 0.000 1.047 197 K CA 0.761 57.060 56.287 0.021 0.000 0.942 197 K CB 0.120 32.644 32.500 0.039 0.000 0.739 197 K HN 0.294 nan 8.250 nan 0.000 0.457 198 L N 0.498 121.698 121.223 -0.038 0.000 2.607 198 L HA 0.035 4.376 4.340 0.003 0.000 0.228 198 L C 1.869 178.715 176.870 -0.039 0.000 1.123 198 L CA 0.013 54.807 54.840 -0.076 0.000 0.890 198 L CB -0.167 41.828 42.059 -0.107 0.000 1.103 198 L HN 0.239 nan 8.230 nan 0.000 0.468 199 E N 0.507 120.704 120.200 -0.005 0.000 2.153 199 E HA -0.230 4.122 4.350 0.003 0.000 0.194 199 E C 1.782 178.406 176.600 0.039 0.000 0.988 199 E CA 1.842 58.255 56.400 0.021 0.000 0.811 199 E CB -0.404 29.311 29.700 0.025 0.000 0.746 199 E HN 0.463 nan 8.360 nan 0.000 0.466 200 T N -0.252 114.318 114.554 0.027 0.000 3.072 200 T HA -0.029 4.323 4.350 0.003 0.000 0.266 200 T C 1.741 176.487 174.700 0.077 0.000 1.127 200 T CA 0.885 63.013 62.100 0.045 0.000 1.107 200 T CB -0.171 68.716 68.868 0.032 0.000 0.910 200 T HN 0.318 nan 8.240 nan 0.000 0.513 201 L N -0.149 121.100 121.223 0.044 0.000 2.701 201 L HA 0.452 4.794 4.340 0.003 0.000 0.238 201 L C 2.131 179.086 176.870 0.141 0.000 1.106 201 L CA 0.655 55.538 54.840 0.072 0.000 0.898 201 L CB -1.127 40.845 42.059 -0.145 0.000 1.188 201 L HN 0.225 nan 8.230 nan 0.000 0.508 202 T N -3.623 110.997 114.554 0.109 0.000 2.708 202 T HA -0.265 4.086 4.350 0.003 0.000 0.266 202 T C 1.608 176.447 174.700 0.233 0.000 1.037 202 T CA 1.522 63.706 62.100 0.140 0.000 1.146 202 T CB -1.193 67.736 68.868 0.101 0.000 0.865 202 T HN 0.565 nan 8.240 nan 0.000 0.435 203 W N 1.807 123.162 121.300 0.092 0.000 2.333 203 W HA -0.156 4.506 4.660 0.003 0.000 0.316 203 W C 2.794 179.381 176.519 0.113 0.000 1.215 203 W CA 1.735 59.130 57.345 0.083 0.000 1.278 203 W CB -0.370 29.122 29.460 0.052 0.000 1.154 203 W HN 0.336 nan 8.180 nan 0.000 0.486 204 Q N -0.891 119.188 119.800 0.466 0.000 2.061 204 Q HA -0.251 4.091 4.340 0.003 0.000 0.204 204 Q C 2.256 178.333 176.000 0.128 0.000 0.984 204 Q CA 2.156 58.152 55.803 0.321 0.000 0.846 204 Q CB -0.710 28.266 28.738 0.396 0.000 0.902 204 Q HN 0.311 nan 8.270 nan 0.000 0.421 205 F N 0.565 120.538 119.950 0.038 0.000 2.102 205 F HA -0.126 4.402 4.527 0.003 0.000 0.298 205 F C 2.509 178.367 175.800 0.096 0.000 1.105 205 F CA 1.373 59.422 58.000 0.082 0.000 1.239 205 F CB -0.202 38.858 39.000 0.100 0.000 0.991 205 F HN 0.044 nan 8.300 nan 0.000 0.474 206 R N -0.321 120.272 120.500 0.156 0.000 2.092 206 R HA -0.119 4.222 4.340 0.003 0.000 0.231 206 R C 2.213 178.330 176.300 -0.305 0.000 1.119 206 R CA 1.071 57.137 56.100 -0.056 0.000 0.970 206 R CB -0.402 29.854 30.300 -0.073 0.000 0.864 206 R HN 0.243 nan 8.270 nan 0.000 0.440 207 I N 0.942 121.227 120.570 -0.474 0.000 2.226 207 I HA -0.256 3.916 4.170 0.003 0.000 0.245 207 I C 2.442 178.344 176.117 -0.359 0.000 1.100 207 I CA 1.410 62.361 61.300 -0.581 0.000 1.374 207 I CB -0.592 36.753 38.000 -1.092 0.000 1.057 207 I HN 0.187 nan 8.210 nan 0.000 0.413 208 Q N 1.098 120.736 119.800 -0.269 0.000 2.084 208 Q HA -0.016 4.326 4.340 0.003 0.000 0.202 208 Q C 1.147 177.034 176.000 -0.187 0.000 0.978 208 Q CA 1.330 57.016 55.803 -0.196 0.000 0.844 208 Q CB -0.465 28.157 28.738 -0.195 0.000 0.898 208 Q HN 0.563 nan 8.270 nan 0.000 0.426 209 G N -1.237 107.435 108.800 -0.213 0.000 2.749 209 G HA2 -0.192 3.770 3.960 0.003 0.000 0.242 209 G HA3 -0.192 3.770 3.960 0.003 0.000 0.242 209 G C -0.739 174.116 174.900 -0.075 0.000 1.364 209 G CA -0.033 44.782 45.100 -0.474 0.000 0.888 209 G HN 0.763 nan 8.290 nan 0.000 0.566 210 W N -2.612 118.633 121.300 -0.092 0.000 3.153 210 W HA 0.686 5.348 4.660 0.003 0.000 0.316 210 W C -0.009 176.475 176.519 -0.059 0.000 1.255 210 W CA -0.614 56.686 57.345 -0.075 0.000 1.192 210 W CB 0.168 29.590 29.460 -0.064 0.000 1.400 210 W HN 0.474 nan 8.180 nan 0.000 0.568 211 N N 0.250 119.039 118.700 0.149 0.000 2.395 211 N HA 0.138 4.879 4.740 0.003 0.000 0.175 211 N C -0.606 174.993 175.510 0.147 0.000 1.029 211 N CA 0.482 53.574 53.050 0.071 0.000 0.897 211 N CB 1.131 39.638 38.487 0.034 0.000 0.991 211 N HN 0.226 nan 8.380 nan 0.000 0.441 212 V N -0.137 119.915 119.914 0.230 0.000 2.851 212 V HA 0.763 4.885 4.120 0.003 0.000 0.307 212 V C -1.494 174.685 176.094 0.140 0.000 1.129 212 V CA -0.759 61.650 62.300 0.181 0.000 0.932 212 V CB 1.613 33.478 31.823 0.072 0.000 1.024 212 V HN 0.098 nan 8.190 nan 0.000 0.426 216 A N 0.979 123.778 122.820 -0.035 0.000 2.430 216 A HA 1.104 5.426 4.320 0.003 0.000 0.300 216 A C 0.635 178.203 177.584 -0.027 0.000 1.124 216 A CA 0.586 52.601 52.037 -0.037 0.000 0.766 216 A CB 1.177 20.154 19.000 -0.039 0.000 1.328 216 A HN 2.893 nan 8.150 nan 0.000 0.424 217 S N -1.218 114.467 115.700 -0.025 0.000 3.845 217 S HA -0.034 4.438 4.470 0.003 0.000 0.641 217 S C 1.261 175.868 174.600 0.013 0.000 1.900 217 S CA 0.695 58.887 58.200 -0.014 0.000 2.062 217 S CB -1.620 61.564 63.200 -0.027 0.000 0.327 217 S HN 2.527 nan 8.310 nan 0.000 1.788 218 G N 0.601 109.419 108.800 0.030 0.000 2.491 218 G HA2 -0.109 3.853 3.960 0.003 0.000 0.218 218 G HA3 -0.109 3.853 3.960 0.003 0.000 0.218 218 G C 1.400 176.344 174.900 0.073 0.000 1.180 218 G CA 1.984 47.120 45.100 0.059 0.000 0.774 218 G HN 1.252 nan 8.290 nan 0.000 0.562 219 T N 1.198 115.779 114.554 0.045 0.000 2.684 219 T HA -0.067 4.284 4.350 0.003 0.000 0.267 219 T C 2.419 177.157 174.700 0.063 0.000 1.036 219 T CA 1.226 63.347 62.100 0.036 0.000 1.148 219 T CB -0.177 68.661 68.868 -0.049 0.000 0.863 219 T HN 0.250 nan 8.240 nan 0.000 0.436 220 I N 0.601 121.196 120.570 0.042 0.000 2.252 220 I HA -0.120 4.052 4.170 0.003 0.000 0.245 220 I C 2.574 178.754 176.117 0.104 0.000 1.102 220 I CA 1.125 62.462 61.300 0.062 0.000 1.385 220 I CB -0.265 37.756 38.000 0.035 0.000 1.064 220 I HN 0.173 nan 8.210 nan 0.000 0.414 221 K N 1.439 121.889 120.400 0.083 0.000 2.032 221 K HA -0.223 4.099 4.320 0.003 0.000 0.209 221 K C 2.219 178.921 176.600 0.169 0.000 1.048 221 K CA 1.707 58.056 56.287 0.104 0.000 0.927 221 K CB -0.198 32.340 32.500 0.063 0.000 0.712 221 K HN 0.274 nan 8.250 nan 0.000 0.441 222 A N 1.022 123.942 122.820 0.167 0.000 1.873 222 A HA -0.190 4.131 4.320 0.003 0.000 0.218 222 A C 2.392 180.123 177.584 0.245 0.000 1.193 222 A CA 2.270 54.414 52.037 0.178 0.000 0.629 222 A CB -1.182 17.982 19.000 0.272 0.000 0.826 222 A HN 0.529 nan 8.150 nan 0.000 0.447 223 A N -0.842 122.204 122.820 0.376 0.000 1.908 223 A HA -0.223 4.099 4.320 0.003 0.000 0.218 223 A C 2.016 179.711 177.584 0.185 0.000 1.181 223 A CA 2.302 54.535 52.037 0.327 0.000 0.627 223 A CB -0.996 18.115 19.000 0.185 0.000 0.818 223 A HN 0.878 nan 8.150 nan 0.000 0.445 224 H N -0.266 118.852 119.070 0.080 0.000 2.319 224 H HA -0.117 4.441 4.556 0.003 0.000 0.299 224 H C 1.937 177.282 175.328 0.029 0.000 1.092 224 H CA 2.156 58.232 56.048 0.047 0.000 1.302 224 H CB -0.146 29.640 29.762 0.040 0.000 1.373 224 H HN 0.609 nan 8.280 nan 0.000 0.497 225 E N -0.212 119.979 120.200 -0.015 0.000 2.028 225 E HA -0.132 4.220 4.350 0.003 0.000 0.191 225 E C 2.491 179.020 176.600 -0.119 0.000 0.988 225 E CA 1.295 57.637 56.400 -0.097 0.000 0.799 225 E CB -0.021 29.684 29.700 0.008 0.000 0.755 225 E HN 0.305 nan 8.360 nan 0.000 0.447 226 V N 1.915 121.777 119.914 -0.088 0.000 2.324 226 V HA -0.226 3.896 4.120 0.003 0.000 0.250 226 V C 1.750 177.797 176.094 -0.078 0.000 1.060 226 V CA 1.183 63.418 62.300 -0.109 0.000 1.042 226 V CB -0.486 31.249 31.823 -0.147 0.000 0.650 226 V HN 0.168 nan 8.190 nan 0.000 0.450 232 E N 0.684 120.866 120.200 -0.030 0.000 2.301 232 E HA 0.361 4.713 4.350 0.003 0.000 0.275 232 E C 0.733 177.319 176.600 -0.024 0.000 1.030 232 E CA -0.467 55.920 56.400 -0.022 0.000 0.852 232 E CB 2.527 32.213 29.700 -0.023 0.000 1.060 232 E HN 0.107 nan 8.360 nan 0.000 0.401 233 K N 1.686 122.081 120.400 -0.009 0.000 1.968 233 K HA -0.112 4.210 4.320 0.003 0.000 0.215 233 K C 0.160 176.760 176.600 0.000 0.000 1.040 233 K CA 1.427 57.712 56.287 -0.004 0.000 0.959 233 K CB -0.323 32.181 32.500 0.006 0.000 0.740 233 K HN 0.622 nan 8.250 nan 0.000 0.443 234 D N -1.618 118.793 120.400 0.017 0.000 2.360 234 D HA 0.087 4.729 4.640 0.003 0.000 0.242 234 D C 0.943 177.265 176.300 0.037 0.000 1.184 234 D CA 0.110 54.134 54.000 0.040 0.000 0.930 234 D CB 0.476 41.309 40.800 0.054 0.000 1.161 234 D HN 0.277 nan 8.370 nan 0.000 0.447 235 G N -0.309 108.556 108.800 0.108 0.000 2.920 235 G HA2 0.059 4.020 3.960 0.003 0.000 0.208 235 G HA3 0.059 4.020 3.960 0.003 0.000 0.208 235 G C 0.653 175.684 174.900 0.220 0.000 1.159 235 G CA -0.380 44.797 45.100 0.128 0.000 0.784 235 G HN 0.511 nan 8.290 nan 0.000 0.535 236 I N 1.540 122.195 120.570 0.142 0.000 2.598 236 I HA 0.099 4.271 4.170 0.003 0.000 0.284 236 I C 0.116 176.304 176.117 0.118 0.000 1.140 236 I CA -0.072 61.310 61.300 0.136 0.000 1.420 236 I CB 1.017 39.082 38.000 0.108 0.000 1.387 236 I HN -0.068 nan 8.210 nan 0.000 0.553 237 I N 6.271 126.928 120.570 0.146 0.000 2.395 237 I HA 0.219 4.390 4.170 0.003 0.000 0.289 237 I C 0.389 176.601 176.117 0.159 0.000 1.023 237 I CA 0.377 61.736 61.300 0.099 0.000 1.350 237 I CB 0.959 39.012 38.000 0.088 0.000 1.409 237 I HN 0.535 nan 8.210 nan 0.000 0.507 238 T N 6.600 121.173 114.554 0.031 0.000 2.903 238 T HA 0.315 4.666 4.350 0.003 0.000 0.299 238 T C -1.997 172.680 174.700 -0.037 0.000 1.093 238 T CA -1.140 61.025 62.100 0.108 0.000 1.002 238 T CB 2.290 71.203 68.868 0.076 0.000 1.127 238 T HN 0.244 nan 8.240 nan 0.000 0.488 239 P HA -0.049 nan 4.420 nan 0.000 0.215 239 P C 0.994 178.280 177.300 -0.023 0.000 1.153 239 P CA 1.080 64.187 63.100 0.011 0.000 0.853 239 P CB 0.297 32.095 31.700 0.164 0.000 0.788 240 E N -0.471 119.738 120.200 0.014 0.000 2.110 240 E HA -0.147 4.205 4.350 0.003 0.000 0.193 240 E C 2.067 178.656 176.600 -0.018 0.000 0.988 240 E CA 1.075 57.479 56.400 0.005 0.000 0.804 240 E CB -0.553 29.159 29.700 0.020 0.000 0.745 240 E HN 0.257 nan 8.360 nan 0.000 0.458 241 R N 0.031 120.513 120.500 -0.030 0.000 2.153 241 R HA 0.054 4.396 4.340 0.003 0.000 0.218 241 R C 2.305 178.563 176.300 -0.069 0.000 1.072 241 R CA 0.551 56.628 56.100 -0.039 0.000 0.990 241 R CB -0.276 30.008 30.300 -0.026 0.000 0.889 241 R HN 0.238 nan 8.270 nan 0.000 0.452 242 L N 1.007 122.153 121.223 -0.128 0.000 2.056 242 L HA -0.140 4.201 4.340 0.003 0.000 0.207 242 L C 2.285 179.108 176.870 -0.078 0.000 1.078 242 L CA 1.148 55.899 54.840 -0.148 0.000 0.749 242 L CB -0.320 41.573 42.059 -0.277 0.000 0.901 242 L HN 0.080 nan 8.230 nan 0.000 0.433 243 E N 0.219 120.386 120.200 -0.056 0.000 2.153 243 E HA -0.205 4.147 4.350 0.003 0.000 0.194 243 E C 2.094 178.669 176.600 -0.042 0.000 0.988 243 E CA 0.994 57.372 56.400 -0.037 0.000 0.811 243 E CB -0.087 29.605 29.700 -0.014 0.000 0.746 243 E HN 0.237 nan 8.360 nan 0.000 0.466 244 K N 0.682 121.062 120.400 -0.033 0.000 2.057 244 K HA 0.002 4.324 4.320 0.003 0.000 0.206 244 K C 2.227 178.815 176.600 -0.021 0.000 1.050 244 K CA 0.487 56.760 56.287 -0.024 0.000 0.935 244 K CB -0.533 31.957 32.500 -0.016 0.000 0.715 244 K HN 0.106 nan 8.250 nan 0.000 0.439 245 L N 0.335 121.547 121.223 -0.018 0.000 2.017 245 L HA -0.174 4.168 4.340 0.003 0.000 0.208 245 L C 2.244 179.093 176.870 -0.035 0.000 1.073 245 L CA 1.324 56.172 54.840 0.015 0.000 0.745 245 L CB -0.660 41.430 42.059 0.051 0.000 0.894 245 L HN 0.102 nan 8.230 nan 0.000 0.432 246 V N -0.718 119.120 119.914 -0.125 0.000 2.343 246 V HA -0.277 3.844 4.120 0.003 0.000 0.247 246 V C 2.517 178.473 176.094 -0.229 0.000 1.051 246 V CA 2.114 64.220 62.300 -0.322 0.000 1.036 246 V CB -0.806 30.721 31.823 -0.493 0.000 0.654 246 V HN 0.609 nan 8.190 nan 0.000 0.451 247 K N 0.234 120.561 120.400 -0.121 0.000 2.097 247 K HA -0.242 4.079 4.320 0.003 0.000 0.206 247 K C 2.027 178.606 176.600 -0.034 0.000 1.049 247 K CA 2.191 58.434 56.287 -0.072 0.000 0.933 247 K CB -0.358 32.115 32.500 -0.044 0.000 0.717 247 K HN 0.512 nan 8.250 nan 0.000 0.442 248 E N 0.641 120.836 120.200 -0.009 0.000 2.107 248 E HA -0.107 4.245 4.350 0.003 0.000 0.191 248 E C 1.944 178.624 176.600 0.133 0.000 0.982 248 E CA 1.186 57.616 56.400 0.050 0.000 0.809 248 E CB 0.134 29.864 29.700 0.051 0.000 0.756 248 E HN 0.353 nan 8.360 nan 0.000 0.459 249 V N -1.066 118.898 119.914 0.083 0.000 2.515 249 V HA -0.093 4.029 4.120 0.003 0.000 0.250 249 V C 1.893 178.078 176.094 0.151 0.000 1.058 249 V CA 1.296 63.675 62.300 0.133 0.000 1.064 249 V CB -0.514 31.352 31.823 0.072 0.000 0.675 249 V HN 0.193 nan 8.190 nan 0.000 0.461 250 L N 0.938 122.179 121.223 0.030 0.000 2.552 250 L HA 0.095 4.436 4.340 0.003 0.000 0.227 250 L C 2.771 179.664 176.870 0.039 0.000 1.146 250 L CA 1.133 55.988 54.840 0.026 0.000 0.858 250 L CB -0.385 41.646 42.059 -0.048 0.000 0.969 250 L HN 0.501 nan 8.230 nan 0.000 0.451 251 R N -1.243 119.271 120.500 0.023 0.000 2.310 251 R HA 0.037 4.379 4.340 0.003 0.000 0.202 251 R C -0.268 175.893 176.300 -0.232 0.000 0.933 251 R CA -0.023 56.021 56.100 -0.093 0.000 1.054 251 R CB -0.198 30.020 30.300 -0.137 0.000 0.985 251 R HN 0.285 nan 8.270 nan 0.000 0.489 252 H N -0.213 118.878 119.070 0.035 0.000 2.533 252 H HA 0.403 4.960 4.556 0.003 0.000 0.343 252 H C 0.326 175.696 175.328 0.071 0.000 1.160 252 H CA -0.859 55.219 56.048 0.051 0.000 1.218 252 H CB 2.087 31.887 29.762 0.063 0.000 1.566 252 H HN -0.125 nan 8.280 nan 0.000 0.522 253 R N 0.249 120.858 120.500 0.181 0.000 2.237 253 R HA 0.184 4.526 4.340 0.003 0.000 0.195 253 R C 0.102 176.472 176.300 0.116 0.000 0.956 253 R CA 0.243 56.415 56.100 0.121 0.000 1.029 253 R CB 0.582 30.923 30.300 0.069 0.000 0.972 253 R HN 0.533 nan 8.270 nan 0.000 0.493 254 N N -1.018 117.766 118.700 0.140 0.000 2.494 254 N HA 0.120 4.862 4.740 0.003 0.000 0.270 254 N C 0.089 175.730 175.510 0.218 0.000 1.285 254 N CA -0.444 52.657 53.050 0.086 0.000 0.812 254 N CB 1.215 39.723 38.487 0.035 0.000 1.557 254 N HN -0.175 nan 8.380 nan 0.000 0.487 255 F N 0.890 120.862 119.950 0.037 0.000 2.161 255 F HA -0.167 4.361 4.527 0.002 0.000 0.300 255 F C 2.463 178.259 175.800 -0.007 0.000 1.089 255 F CA 1.002 59.004 58.000 0.003 0.000 1.282 255 F CB 0.014 39.011 39.000 -0.004 0.000 1.010 255 F HN 0.575 nan 8.300 nan 0.000 0.485 256 A N 0.246 123.175 122.820 0.182 0.000 1.978 256 A HA -0.224 4.098 4.320 0.003 0.000 0.220 256 A C 2.147 179.774 177.584 0.072 0.000 1.170 256 A CA 2.088 54.182 52.037 0.096 0.000 0.636 256 A CB -0.815 18.222 19.000 0.061 0.000 0.810 256 A HN 0.429 nan 8.150 nan 0.000 0.448 257 S N -1.377 114.378 115.700 0.092 0.000 2.535 257 S HA 0.312 4.784 4.470 0.003 0.000 0.214 257 S C 0.520 175.163 174.600 0.071 0.000 0.980 257 S CA -0.437 57.823 58.200 0.101 0.000 0.907 257 S CB -0.525 62.760 63.200 0.140 0.000 0.790 257 S HN 0.362 nan 8.310 nan 0.000 0.510 258 L N 3.540 124.735 121.223 -0.047 0.000 2.601 258 L HA 0.070 4.412 4.340 0.003 0.000 0.277 258 L C 0.130 176.822 176.870 -0.296 0.000 1.219 258 L CA 0.386 55.010 54.840 -0.361 0.000 0.915 258 L CB 0.567 42.498 42.059 -0.214 0.000 1.160 258 L HN 0.549 nan 8.230 nan 0.000 0.494 259 S N 3.491 118.946 115.700 -0.408 0.000 2.539 259 S HA 0.313 4.785 4.470 0.003 0.000 0.185 259 S C -0.714 173.800 174.600 -0.142 0.000 1.181 259 S CA -0.888 57.214 58.200 -0.164 0.000 1.216 259 S CB 0.116 63.304 63.200 -0.020 0.000 1.476 259 S HN 0.283 nan 8.310 nan 0.000 0.395 260 L N 3.396 124.485 121.223 -0.223 0.000 2.380 260 L HA 0.497 4.839 4.340 0.003 0.000 0.273 260 L C -2.037 174.738 176.870 -0.158 0.000 1.138 260 L CA -1.542 53.190 54.840 -0.180 0.000 0.832 260 L CB -0.126 41.772 42.059 -0.268 0.000 1.124 260 L HN 0.281 nan 8.230 nan 0.000 0.454 261 P HA 0.179 nan 4.420 nan 0.000 0.271 261 P C 0.683 177.912 177.300 -0.119 0.000 1.226 261 P CA 0.393 63.438 63.100 -0.093 0.000 0.765 261 P CB 0.962 32.624 31.700 -0.062 0.000 0.835 262 G N 1.907 110.639 108.800 -0.112 0.000 2.195 262 G HA2 -0.244 3.718 3.960 0.003 0.000 0.246 262 G HA3 -0.244 3.718 3.960 0.003 0.000 0.246 262 G C -0.322 174.484 174.900 -0.157 0.000 0.984 262 G CA -0.103 44.928 45.100 -0.114 0.000 0.633 262 G HN 0.587 nan 8.290 nan 0.000 0.525 263 L N 3.019 124.112 121.223 -0.218 0.000 2.260 263 L HA 0.721 5.062 4.340 0.003 0.000 0.289 263 L C 0.937 177.696 176.870 -0.185 0.000 1.057 263 L CA -0.349 54.316 54.840 -0.291 0.000 0.811 263 L CB 1.031 42.804 42.059 -0.476 0.000 1.184 263 L HN 0.597 nan 8.230 nan 0.000 0.429 264 S N 3.032 118.650 115.700 -0.136 0.000 2.592 264 S HA 0.241 4.712 4.470 0.003 0.000 0.271 264 S C 0.898 175.454 174.600 -0.074 0.000 1.326 264 S CA -0.537 57.615 58.200 -0.081 0.000 1.024 264 S CB 0.923 64.095 63.200 -0.046 0.000 0.921 264 S HN 0.660 nan 8.310 nan 0.000 0.527 265 E N 1.638 121.809 120.200 -0.049 0.000 2.118 265 E HA -0.168 4.184 4.350 0.003 0.000 0.195 265 E C 2.043 178.634 176.600 -0.015 0.000 0.992 265 E CA 1.542 57.922 56.400 -0.033 0.000 0.804 265 E CB -0.236 29.453 29.700 -0.018 0.000 0.741 265 E HN 0.911 nan 8.360 nan 0.000 0.458 266 E N 0.465 120.665 120.200 -0.000 0.000 2.152 266 E HA -0.174 4.177 4.350 0.003 0.000 0.192 266 E C 1.939 178.559 176.600 0.033 0.000 0.983 266 E CA 0.760 57.179 56.400 0.031 0.000 0.818 266 E CB -0.287 29.438 29.700 0.042 0.000 0.758 266 E HN -0.015 nan 8.360 nan 0.000 0.467 267 R N 1.616 122.118 120.500 0.003 0.000 2.297 267 R HA 0.112 4.453 4.340 0.003 0.000 0.197 267 R C 1.795 178.084 176.300 -0.019 0.000 0.943 267 R CA 0.511 56.616 56.100 0.008 0.000 1.038 267 R CB -0.079 30.222 30.300 0.001 0.000 0.957 267 R HN 0.041 nan 8.270 nan 0.000 0.484 268 K N -1.270 119.097 120.400 -0.055 0.000 2.097 268 K HA -0.099 4.223 4.320 0.003 0.000 0.206 268 K C 1.607 178.130 176.600 -0.127 0.000 1.049 268 K CA 1.745 57.979 56.287 -0.087 0.000 0.933 268 K CB -0.160 32.302 32.500 -0.063 0.000 0.717 268 K HN 0.098 nan 8.250 nan 0.000 0.442 269 T N 0.112 114.624 114.554 -0.070 0.000 3.035 269 T HA -0.032 4.320 4.350 0.003 0.000 0.268 269 T C 1.371 175.934 174.700 -0.228 0.000 1.109 269 T CA 1.121 63.186 62.100 -0.058 0.000 1.119 269 T CB 0.161 69.058 68.868 0.047 0.000 0.900 269 T HN 0.147 nan 8.240 nan 0.000 0.503 270 V N -2.287 117.512 119.914 -0.192 0.000 3.451 270 V HA 0.415 4.537 4.120 0.003 0.000 0.288 270 V C 1.626 177.609 176.094 -0.186 0.000 1.502 270 V CA -0.291 61.906 62.300 -0.172 0.000 1.026 270 V CB -0.855 30.952 31.823 -0.027 0.000 0.840 270 V HN 0.307 nan 8.190 nan 0.000 0.437 271 F N 2.175 121.931 119.950 -0.324 0.000 2.126 271 F HA -0.112 4.417 4.527 0.003 0.000 0.299 271 F C 2.017 177.665 175.800 -0.253 0.000 1.096 271 F CA 2.495 60.351 58.000 -0.241 0.000 1.255 271 F CB -0.084 38.790 39.000 -0.210 0.000 0.997 271 F HN 0.048 nan 8.300 nan 0.000 0.479 272 V N 1.757 121.397 119.914 -0.456 0.000 2.323 272 V HA -0.149 3.972 4.120 0.003 0.000 0.244 272 V C -0.425 175.436 176.094 -0.389 0.000 1.041 272 V CA 1.997 64.040 62.300 -0.428 0.000 1.025 272 V CB -2.039 29.502 31.823 -0.471 0.000 0.656 272 V HN 0.219 nan 8.190 nan 0.000 0.451 273 P HA -0.106 nan 4.420 nan 0.000 0.218 273 P C 1.771 179.028 177.300 -0.072 0.000 1.149 273 P CA 1.966 65.038 63.100 -0.047 0.000 0.817 273 P CB -0.268 31.529 31.700 0.161 0.000 0.785 274 G N 0.721 109.407 108.800 -0.191 0.000 2.421 274 G HA2 -0.245 3.717 3.960 0.003 0.000 0.216 274 G HA3 -0.245 3.717 3.960 0.003 0.000 0.216 274 G C 1.515 176.264 174.900 -0.251 0.000 1.171 274 G CA 0.694 45.667 45.100 -0.211 0.000 0.775 274 G HN 0.252 nan 8.290 nan 0.000 0.543 275 L N 1.431 122.430 121.223 -0.373 0.000 2.046 275 L HA 0.130 4.471 4.340 0.003 0.000 0.208 275 L C 3.023 179.843 176.870 -0.083 0.000 1.077 275 L CA 2.159 56.825 54.840 -0.291 0.000 0.747 275 L CB -0.691 41.105 42.059 -0.438 0.000 0.896 275 L HN 0.235 nan 8.230 nan 0.000 0.432 276 A N -0.249 122.453 122.820 -0.196 0.000 1.902 276 A HA -0.187 4.135 4.320 0.003 0.000 0.217 276 A C 2.266 179.716 177.584 -0.223 0.000 1.181 276 A CA 2.124 53.855 52.037 -0.509 0.000 0.623 276 A CB -0.863 17.733 19.000 -0.673 0.000 0.818 276 A HN 0.529 nan 8.150 nan 0.000 0.443 277 I N -0.988 119.485 120.570 -0.162 0.000 2.142 277 I HA -0.232 3.939 4.170 0.003 0.000 0.240 277 I C 2.429 178.485 176.117 -0.101 0.000 1.078 277 I CA 1.248 62.442 61.300 -0.177 0.000 1.343 277 I CB -0.345 37.471 38.000 -0.306 0.000 1.046 277 I HN 0.382 nan 8.210 nan 0.000 0.405 278 L N 0.697 121.872 121.223 -0.080 0.000 2.013 278 L HA -0.274 4.068 4.340 0.003 0.000 0.212 278 L C 2.596 179.522 176.870 0.093 0.000 1.073 278 L CA 1.927 56.776 54.840 0.015 0.000 0.753 278 L CB -0.763 41.278 42.059 -0.030 0.000 0.890 278 L HN 0.324 nan 8.230 nan 0.000 0.432 279 C N -0.171 119.138 119.300 0.014 0.000 2.401 279 C HA -0.138 4.324 4.460 0.003 0.000 0.276 279 C C 2.770 177.820 174.990 0.099 0.000 1.233 279 C CA 0.854 59.904 59.018 0.053 0.000 1.753 279 C CB -2.011 25.783 27.740 0.090 0.000 2.029 279 C HN 0.781 nan 8.230 nan 0.000 0.478 280 G N -0.243 108.575 108.800 0.029 0.000 2.422 280 G HA2 -0.098 3.864 3.960 0.003 0.000 0.218 280 G HA3 -0.098 3.864 3.960 0.003 0.000 0.218 280 G C 1.653 176.575 174.900 0.038 0.000 1.140 280 G CA 1.119 46.231 45.100 0.019 0.000 0.775 280 G HN 0.413 nan 8.290 nan 0.000 0.545 281 V N 0.194 120.133 119.914 0.043 0.000 2.307 281 V HA -0.087 4.035 4.120 0.003 0.000 0.245 281 V C 2.423 178.542 176.094 0.041 0.000 1.045 281 V CA 1.421 63.724 62.300 0.005 0.000 1.024 281 V CB -0.609 31.199 31.823 -0.025 0.000 0.651 281 V HN 0.298 nan 8.190 nan 0.000 0.449 282 F N 0.973 120.909 119.950 -0.024 0.000 2.095 282 F HA -0.201 4.327 4.527 0.003 0.000 0.298 282 F C 2.346 178.168 175.800 0.036 0.000 1.104 282 F CA 2.016 60.025 58.000 0.016 0.000 1.232 282 F CB -0.519 38.495 39.000 0.023 0.000 0.987 282 F HN 0.249 nan 8.300 nan 0.000 0.475 283 D N -0.174 120.350 120.400 0.208 0.000 2.117 283 D HA -0.157 4.484 4.640 0.003 0.000 0.197 283 D C 2.316 178.667 176.300 0.085 0.000 0.987 283 D CA 1.486 55.564 54.000 0.129 0.000 0.829 283 D CB -0.695 40.161 40.800 0.093 0.000 0.961 283 D HN 0.292 nan 8.370 nan 0.000 0.460 284 A N 0.426 123.281 122.820 0.057 0.000 1.897 284 A HA -0.004 4.317 4.320 0.003 0.000 0.215 284 A C 2.209 179.825 177.584 0.053 0.000 1.181 284 A CA 0.700 52.760 52.037 0.037 0.000 0.620 284 A CB -0.433 18.567 19.000 -0.001 0.000 0.821 284 A HN 0.195 nan 8.150 nan 0.000 0.443 285 L N -1.456 119.793 121.223 0.044 0.000 2.607 285 L HA 0.289 4.630 4.340 0.003 0.000 0.228 285 L C 1.298 178.283 176.870 0.191 0.000 1.123 285 L CA 0.330 55.245 54.840 0.126 0.000 0.890 285 L CB -0.176 41.903 42.059 0.033 0.000 1.103 285 L HN 0.480 nan 8.230 nan 0.000 0.468 286 A N 1.245 124.128 122.820 0.105 0.000 2.687 286 A HA -0.222 4.099 4.320 0.003 0.000 0.299 286 A C 0.334 177.986 177.584 0.114 0.000 1.497 286 A CA 0.422 52.521 52.037 0.103 0.000 0.751 286 A CB -2.512 16.534 19.000 0.076 0.000 1.048 286 A HN 0.391 nan 8.150 nan 0.000 0.464 287 I N -0.013 120.546 120.570 -0.019 0.000 2.588 287 I HA 0.121 4.293 4.170 0.003 0.000 0.283 287 I C 1.695 177.816 176.117 0.006 0.000 1.119 287 I CA -0.618 60.609 61.300 -0.122 0.000 1.419 287 I CB 0.553 38.028 38.000 -0.875 0.000 1.394 287 I HN 0.358 nan 8.210 nan 0.000 0.562 288 R N 3.970 124.544 120.500 0.124 0.000 2.075 288 R HA 0.226 4.568 4.340 0.003 0.000 0.220 288 R C -0.042 176.399 176.300 0.235 0.000 1.118 288 R CA 0.872 57.076 56.100 0.174 0.000 0.986 288 R CB -0.069 30.303 30.300 0.119 0.000 0.884 288 R HN 0.630 nan 8.270 nan 0.000 0.439 289 E N 0.194 120.512 120.200 0.197 0.000 2.308 289 E HA 0.373 4.725 4.350 0.003 0.000 0.275 289 E C -1.474 175.228 176.600 0.170 0.000 0.890 289 E CA -0.717 55.808 56.400 0.209 0.000 0.754 289 E CB 2.576 32.363 29.700 0.145 0.000 1.207 289 E HN -0.155 nan 8.360 nan 0.000 0.426 290 L N 2.349 123.712 121.223 0.234 0.000 2.385 290 L HA 0.497 4.838 4.340 0.003 0.000 0.273 290 L C -1.223 175.724 176.870 0.128 0.000 0.990 290 L CA -0.325 54.608 54.840 0.155 0.000 0.821 290 L CB 1.288 43.503 42.059 0.261 0.000 1.279 290 L HN 0.441 nan 8.230 nan 0.000 0.412 291 R N 4.056 124.592 120.500 0.060 0.000 2.589 291 R HA 0.524 4.866 4.340 0.003 0.000 0.293 291 R C -1.109 175.182 176.300 -0.016 0.000 0.963 291 R CA -1.189 54.931 56.100 0.035 0.000 0.905 291 R CB 1.864 32.174 30.300 0.017 0.000 1.144 291 R HN 0.516 nan 8.270 nan 0.000 0.459 292 L N 1.459 122.637 121.223 -0.076 0.000 2.410 292 L HA 0.128 4.469 4.340 0.003 0.000 0.273 292 L C -0.080 176.713 176.870 -0.129 0.000 1.152 292 L CA 0.695 55.444 54.840 -0.152 0.000 0.855 292 L CB 1.284 43.105 42.059 -0.397 0.000 1.129 292 L HN 0.613 nan 8.230 nan 0.000 0.463 293 S N 2.111 117.753 115.700 -0.098 0.000 2.449 293 S HA 0.374 4.846 4.470 0.003 0.000 0.310 293 S C 0.387 174.942 174.600 -0.075 0.000 1.096 293 S CA -0.424 57.726 58.200 -0.083 0.000 1.095 293 S CB 0.770 63.924 63.200 -0.076 0.000 1.007 293 S HN 0.770 nan 8.310 nan 0.000 0.474 294 D N 3.384 123.745 120.400 -0.065 0.000 2.355 294 D HA 0.150 4.792 4.640 0.003 0.000 0.218 294 D C 0.880 177.164 176.300 -0.027 0.000 1.004 294 D CA 0.043 54.017 54.000 -0.044 0.000 0.880 294 D CB -0.333 40.447 40.800 -0.034 0.000 0.911 294 D HN 0.502 nan 8.370 nan 0.000 0.528 295 G N -0.671 108.112 108.800 -0.029 0.000 2.332 295 G HA2 0.610 4.571 3.960 0.003 0.000 0.310 295 G HA3 0.610 4.571 3.960 0.003 0.000 0.310 295 G C -0.427 174.457 174.900 -0.027 0.000 1.123 295 G CA -0.066 45.027 45.100 -0.012 0.000 0.873 295 G HN 0.388 nan 8.290 nan 0.000 0.460 296 A N 2.016 124.828 122.820 -0.013 0.000 3.972 296 A HA 0.624 4.946 4.320 0.003 0.000 0.166 296 A C 1.317 178.901 177.584 0.001 0.000 0.722 296 A CA 0.261 52.287 52.037 -0.019 0.000 1.045 296 A CB -0.531 18.447 19.000 -0.037 0.000 1.949 296 A HN 1.216 nan 8.150 nan 0.000 0.853 297 L N 0.365 121.580 121.223 -0.014 0.000 2.046 297 L HA -0.015 4.327 4.340 0.003 0.000 0.208 297 L C 2.299 179.175 176.870 0.010 0.000 1.077 297 L CA 2.442 57.283 54.840 0.001 0.000 0.747 297 L CB -0.632 41.416 42.059 -0.019 0.000 0.896 297 L HN 0.615 nan 8.230 nan 0.000 0.432 298 R N -0.801 119.690 120.500 -0.015 0.000 2.115 298 R HA -0.102 4.240 4.340 0.003 0.000 0.226 298 R C 2.057 178.372 176.300 0.025 0.000 1.100 298 R CA 1.199 57.293 56.100 -0.009 0.000 0.980 298 R CB -0.124 30.154 30.300 -0.038 0.000 0.875 298 R HN 0.383 nan 8.270 nan 0.000 0.445 299 E N -0.306 119.928 120.200 0.056 0.000 2.072 299 E HA -0.068 4.283 4.350 0.003 0.000 0.191 299 E C 1.967 178.705 176.600 0.230 0.000 0.985 299 E CA 1.260 57.749 56.400 0.149 0.000 0.801 299 E CB -0.466 29.334 29.700 0.168 0.000 0.750 299 E HN 0.416 nan 8.360 nan 0.000 0.452 300 G N 0.601 109.490 108.800 0.149 0.000 2.476 300 G HA2 -0.278 3.683 3.960 0.003 0.000 0.218 300 G HA3 -0.278 3.683 3.960 0.003 0.000 0.218 300 G C 1.739 176.715 174.900 0.126 0.000 1.164 300 G CA 1.219 46.410 45.100 0.152 0.000 0.768 300 G HN 0.212 nan 8.290 nan 0.000 0.560 301 V N 0.950 120.911 119.914 0.078 0.000 2.295 301 V HA -0.140 3.981 4.120 0.003 0.000 0.246 301 V C 2.939 179.057 176.094 0.039 0.000 1.049 301 V CA 1.582 63.907 62.300 0.043 0.000 1.024 301 V CB -0.512 31.324 31.823 0.022 0.000 0.648 301 V HN 0.351 nan 8.190 nan 0.000 0.447 302 L N -1.483 119.774 121.223 0.056 0.000 2.012 302 L HA -0.231 4.111 4.340 0.003 0.000 0.210 302 L C 2.543 179.397 176.870 -0.026 0.000 1.073 302 L CA 1.982 56.873 54.840 0.085 0.000 0.748 302 L CB -0.731 41.314 42.059 -0.024 0.000 0.891 302 L HN 0.290 nan 8.230 nan 0.000 0.431 303 Y N 0.008 120.281 120.300 -0.044 0.000 2.274 303 Y HA -0.139 4.413 4.550 0.003 0.000 0.290 303 Y C 1.801 177.606 175.900 -0.159 0.000 1.145 303 Y CA 0.413 58.388 58.100 -0.208 0.000 1.203 303 Y CB -0.205 37.885 38.460 -0.617 0.000 0.984 303 Y HN 0.199 nan 8.280 nan 0.000 0.533 307 G N 1.655 110.364 108.800 -0.151 0.000 2.418 307 G HA2 -0.239 3.723 3.960 0.003 0.000 0.217 307 G HA3 -0.239 3.723 3.960 0.003 0.000 0.217 307 G C 1.530 176.361 174.900 -0.116 0.000 1.158 307 G CA 0.920 45.971 45.100 -0.080 0.000 0.771 307 G HN 0.094 nan 8.290 nan 0.000 0.545 308 R N -0.644 119.720 120.500 -0.228 0.000 2.148 308 R HA 0.054 4.396 4.340 0.003 0.000 0.223 308 R C 2.181 178.333 176.300 -0.247 0.000 1.088 308 R CA 0.465 56.429 56.100 -0.226 0.000 0.985 308 R CB -0.422 29.728 30.300 -0.250 0.000 0.880 308 R HN 0.338 nan 8.270 nan 0.000 0.451 309 F N 1.193 120.997 119.950 -0.243 0.000 2.250 309 F HA -0.114 4.415 4.527 0.003 0.000 0.301 309 F C 1.728 177.334 175.800 -0.324 0.000 1.077 309 F CA 1.152 58.975 58.000 -0.295 0.000 1.348 309 F CB -0.209 38.610 39.000 -0.302 0.000 1.040 309 F HN -0.117 nan 8.300 nan 0.000 0.509 310 R N -1.316 119.146 120.500 -0.063 0.000 2.552 310 R HA 0.145 4.486 4.340 0.003 0.000 0.314 310 R C -0.469 175.840 176.300 0.014 0.000 1.041 310 R CA -0.122 55.957 56.100 -0.035 0.000 1.076 310 R CB -0.579 29.731 30.300 0.016 0.000 1.290 310 R HN 0.332 nan 8.270 nan 0.000 0.563 311 H N -0.026 119.066 119.070 0.036 0.000 2.791 311 H HA -0.191 4.366 4.556 0.003 0.000 0.302 311 H C -0.644 174.699 175.328 0.025 0.000 1.198 311 H CA 0.707 56.772 56.048 0.028 0.000 1.145 311 H CB -1.195 28.584 29.762 0.029 0.000 1.385 311 H HN 0.339 nan 8.280 nan 0.000 0.409 312 Q N 0.826 120.670 119.800 0.073 0.000 2.293 312 Q HA 0.457 4.799 4.340 0.003 0.000 0.261 312 Q C -0.644 175.377 176.000 0.036 0.000 0.960 312 Q CA -0.738 55.100 55.803 0.058 0.000 0.882 312 Q CB 2.586 31.346 28.738 0.036 0.000 1.275 312 Q HN 0.243 nan 8.270 nan 0.000 0.445 313 D N 1.975 122.407 120.400 0.053 0.000 2.478 313 D HA 0.033 4.674 4.640 0.003 0.000 0.240 313 D C -0.072 176.241 176.300 0.023 0.000 1.364 313 D CA -0.438 53.586 54.000 0.039 0.000 0.987 313 D CB 1.909 42.767 40.800 0.097 0.000 1.328 313 D HN 0.303 nan 8.370 nan 0.000 0.584 314 V N 5.034 124.943 119.914 -0.010 0.000 2.982 314 V HA -0.172 3.949 4.120 0.003 0.000 0.265 314 V C 1.989 178.036 176.094 -0.079 0.000 1.122 314 V CA 1.808 64.097 62.300 -0.018 0.000 1.143 314 V CB -0.320 31.504 31.823 0.001 0.000 0.726 314 V HN 0.484 nan 8.190 nan 0.000 0.507 315 R N -0.674 119.712 120.500 -0.189 0.000 2.148 315 R HA -0.084 4.257 4.340 0.003 0.000 0.227 315 R C 2.527 178.551 176.300 -0.459 0.000 1.103 315 R CA 1.426 57.244 56.100 -0.471 0.000 0.983 315 R CB -0.357 29.343 30.300 -1.000 0.000 0.874 315 R HN 0.509 nan 8.270 nan 0.000 0.451 316 S N 0.597 116.235 115.700 -0.105 0.000 2.356 316 S HA -0.173 4.299 4.470 0.003 0.000 0.223 316 S C 1.843 176.448 174.600 0.008 0.000 1.032 316 S CA 1.255 59.508 58.200 0.088 0.000 1.005 316 S CB -0.162 63.168 63.200 0.217 0.000 0.867 316 S HN 0.336 nan 8.310 nan 0.000 0.449 317 R N 0.657 121.157 120.500 0.001 0.000 2.081 317 R HA -0.095 4.247 4.340 0.003 0.000 0.235 317 R C 2.161 178.451 176.300 -0.017 0.000 1.131 317 R CA 1.777 57.881 56.100 0.006 0.000 0.960 317 R CB -0.606 29.703 30.300 0.015 0.000 0.856 317 R HN 0.303 nan 8.270 nan 0.000 0.436 318 T N 0.586 115.115 114.554 -0.042 0.000 2.708 318 T HA -0.136 4.216 4.350 0.003 0.000 0.266 318 T C 1.795 176.454 174.700 -0.069 0.000 1.037 318 T CA 1.466 63.549 62.100 -0.028 0.000 1.146 318 T CB -0.324 68.573 68.868 0.050 0.000 0.865 318 T HN 0.483 nan 8.240 nan 0.000 0.435 319 A N 1.167 123.896 122.820 -0.151 0.000 1.877 319 A HA -0.097 4.225 4.320 0.003 0.000 0.216 319 A C 2.641 180.209 177.584 -0.026 0.000 1.186 319 A CA 2.032 53.978 52.037 -0.152 0.000 0.620 319 A CB -0.953 17.857 19.000 -0.316 0.000 0.822 319 A HN 0.432 nan 8.150 nan 0.000 0.443 320 S N 0.110 115.814 115.700 0.007 0.000 2.368 320 S HA -0.121 4.351 4.470 0.003 0.000 0.225 320 S C 2.318 176.929 174.600 0.019 0.000 1.030 320 S CA 1.482 59.704 58.200 0.037 0.000 0.999 320 S CB -0.318 62.911 63.200 0.048 0.000 0.844 320 S HN 0.650 nan 8.310 nan 0.000 0.459 321 S N 1.514 117.217 115.700 0.004 0.000 2.370 321 S HA -0.062 4.409 4.470 0.003 0.000 0.226 321 S C 1.791 176.393 174.600 0.003 0.000 1.033 321 S CA 0.951 59.149 58.200 -0.003 0.000 1.011 321 S CB -0.413 62.783 63.200 -0.007 0.000 0.852 321 S HN 0.303 nan 8.310 nan 0.000 0.457 322 L N 1.679 122.910 121.223 0.014 0.000 2.056 322 L HA 0.045 4.386 4.340 0.003 0.000 0.207 322 L C 2.399 179.338 176.870 0.115 0.000 1.078 322 L CA 1.644 56.527 54.840 0.072 0.000 0.749 322 L CB -0.952 41.110 42.059 0.005 0.000 0.901 322 L HN 0.256 nan 8.230 nan 0.000 0.433 323 A N -0.454 122.396 122.820 0.050 0.000 1.908 323 A HA -0.288 4.034 4.320 0.003 0.000 0.218 323 A C 2.190 179.787 177.584 0.021 0.000 1.181 323 A CA 2.042 54.108 52.037 0.049 0.000 0.627 323 A CB -0.950 18.078 19.000 0.047 0.000 0.818 323 A HN 0.597 nan 8.150 nan 0.000 0.445 324 N N -0.431 118.263 118.700 -0.011 0.000 2.216 324 N HA -0.188 4.553 4.740 0.003 0.000 0.183 324 N C 1.911 177.272 175.510 -0.247 0.000 1.017 324 N CA 1.720 54.728 53.050 -0.070 0.000 0.861 324 N CB -0.391 38.078 38.487 -0.029 0.000 0.986 324 N HN 0.648 nan 8.380 nan 0.000 0.428 325 Q N -1.204 118.478 119.800 -0.197 0.000 2.135 325 Q HA -0.180 4.161 4.340 0.003 0.000 0.204 325 Q C 0.785 176.409 176.000 -0.627 0.000 0.981 325 Q CA 1.425 57.014 55.803 -0.357 0.000 0.856 325 Q CB -0.143 28.454 28.738 -0.234 0.000 0.902 325 Q HN 0.590 nan 8.270 nan 0.000 0.425 326 Y N -0.642 119.471 120.300 -0.311 0.000 2.457 326 Y HA 0.102 4.653 4.550 0.003 0.000 0.263 326 Y C -0.302 175.513 175.900 -0.141 0.000 1.164 326 Y CA 0.174 58.152 58.100 -0.203 0.000 1.274 326 Y CB 0.496 38.901 38.460 -0.091 0.000 1.097 326 Y HN 0.212 nan 8.280 nan 0.000 0.523 327 H N -0.340 118.778 119.070 0.081 0.000 2.677 327 H HA -0.175 4.383 4.556 0.003 0.000 0.321 327 H C 0.285 175.647 175.328 0.057 0.000 1.171 327 H CA 0.657 56.735 56.048 0.050 0.000 1.139 327 H CB -2.228 27.548 29.762 0.024 0.000 1.515 327 H HN 0.508 nan 8.280 nan 0.000 0.423 328 I N -2.260 118.378 120.570 0.114 0.000 2.836 328 I HA 0.118 4.289 4.170 0.003 0.000 0.285 328 I C 1.036 177.194 176.117 0.068 0.000 1.174 328 I CA -0.044 61.296 61.300 0.067 0.000 1.405 328 I CB 0.716 38.730 38.000 0.022 0.000 1.385 328 I HN -0.040 nan 8.210 nan 0.000 0.594 329 D N 4.088 124.516 120.400 0.046 0.000 2.357 329 D HA 0.030 4.671 4.640 0.003 0.000 0.265 329 D C 0.955 177.287 176.300 0.052 0.000 1.334 329 D CA 0.393 54.424 54.000 0.052 0.000 0.984 329 D CB 0.889 41.718 40.800 0.048 0.000 1.077 329 D HN 0.715 nan 8.370 nan 0.000 0.514 330 S N 3.384 119.120 115.700 0.060 0.000 2.374 330 S HA -0.174 4.297 4.470 0.003 0.000 0.227 330 S C 1.638 176.276 174.600 0.063 0.000 1.037 330 S CA 0.832 59.068 58.200 0.061 0.000 1.024 330 S CB 0.089 63.325 63.200 0.060 0.000 0.861 330 S HN 0.577 nan 8.310 nan 0.000 0.456 331 E N 0.851 121.088 120.200 0.061 0.000 2.077 331 E HA -0.191 4.161 4.350 0.003 0.000 0.193 331 E C 2.237 178.881 176.600 0.074 0.000 0.989 331 E CA 1.125 57.563 56.400 0.062 0.000 0.800 331 E CB -0.398 29.337 29.700 0.059 0.000 0.746 331 E HN 0.453 nan 8.360 nan 0.000 0.452 332 Q N 0.708 120.556 119.800 0.081 0.000 2.119 332 Q HA -0.011 4.330 4.340 0.003 0.000 0.201 332 Q C 1.952 178.034 176.000 0.138 0.000 0.972 332 Q CA 1.703 57.570 55.803 0.106 0.000 0.847 332 Q CB -0.331 28.469 28.738 0.104 0.000 0.903 332 Q HN 0.215 nan 8.270 nan 0.000 0.433 333 A N 0.456 123.348 122.820 0.120 0.000 1.902 333 A HA -0.206 4.116 4.320 0.003 0.000 0.217 333 A C 2.096 179.746 177.584 0.110 0.000 1.181 333 A CA 1.797 53.921 52.037 0.145 0.000 0.623 333 A CB -0.664 18.397 19.000 0.101 0.000 0.818 333 A HN 0.380 nan 8.150 nan 0.000 0.443 334 R N 0.094 120.644 120.500 0.083 0.000 2.094 334 R HA -0.134 4.208 4.340 0.003 0.000 0.239 334 R C 2.230 178.565 176.300 0.058 0.000 1.137 334 R CA 2.234 58.372 56.100 0.063 0.000 0.943 334 R CB -0.609 29.725 30.300 0.057 0.000 0.850 334 R HN 0.536 nan 8.270 nan 0.000 0.433 335 R N -0.534 120.006 120.500 0.068 0.000 2.083 335 R HA -0.081 4.261 4.340 0.003 0.000 0.237 335 R C 2.290 178.623 176.300 0.054 0.000 1.137 335 R CA 1.718 57.857 56.100 0.064 0.000 0.951 335 R CB -0.493 29.854 30.300 0.078 0.000 0.851 335 R HN 0.131 nan 8.270 nan 0.000 0.434 336 V N 1.268 121.218 119.914 0.061 0.000 2.427 336 V HA -0.209 3.912 4.120 0.003 0.000 0.248 336 V C 2.181 178.267 176.094 -0.013 0.000 1.051 336 V CA 1.319 63.625 62.300 0.010 0.000 1.048 336 V CB -0.389 31.406 31.823 -0.046 0.000 0.666 336 V HN 0.238 nan 8.190 nan 0.000 0.456 337 L N 0.422 121.651 121.223 0.010 0.000 2.012 337 L HA -0.186 4.155 4.340 0.003 0.000 0.210 337 L C 2.117 178.983 176.870 -0.006 0.000 1.073 337 L CA 2.179 57.016 54.840 -0.005 0.000 0.748 337 L CB -0.850 41.216 42.059 0.013 0.000 0.891 337 L HN 0.303 nan 8.230 nan 0.000 0.431 338 D N -0.960 119.445 120.400 0.008 0.000 2.087 338 D HA -0.178 4.463 4.640 0.003 0.000 0.192 338 D C 2.088 178.390 176.300 0.004 0.000 0.993 338 D CA 2.096 56.100 54.000 0.007 0.000 0.828 338 D CB -0.648 40.160 40.800 0.014 0.000 0.968 338 D HN 0.364 nan 8.370 nan 0.000 0.448 339 T N 1.040 115.599 114.554 0.008 0.000 2.635 339 T HA -0.116 4.236 4.350 0.003 0.000 0.267 339 T C 1.250 175.956 174.700 0.010 0.000 1.040 339 T CA 1.387 63.491 62.100 0.007 0.000 1.156 339 T CB -0.631 68.251 68.868 0.024 0.000 0.863 339 T HN 0.161 nan 8.240 nan 0.000 0.430 345 E N 1.417 121.681 120.200 0.107 0.000 2.110 345 E HA -0.189 4.163 4.350 0.003 0.000 0.193 345 E C 1.645 178.186 176.600 -0.098 0.000 0.988 345 E CA 2.460 58.860 56.400 0.001 0.000 0.804 345 E CB -0.136 29.588 29.700 0.040 0.000 0.745 345 E HN 0.731 nan 8.360 nan 0.000 0.458 346 Q N -1.209 118.537 119.800 -0.090 0.000 2.119 346 Q HA -0.143 4.199 4.340 0.003 0.000 0.201 346 Q C 1.883 177.777 176.000 -0.177 0.000 0.972 346 Q CA 1.450 57.172 55.803 -0.136 0.000 0.847 346 Q CB -0.420 28.235 28.738 -0.139 0.000 0.903 346 Q HN 0.472 nan 8.270 nan 0.000 0.433 347 W N 1.810 122.875 121.300 -0.392 0.000 2.381 347 W HA -0.143 4.518 4.660 0.002 0.000 0.301 347 W C 2.270 178.538 176.519 -0.419 0.000 1.205 347 W CA 1.268 58.341 57.345 -0.453 0.000 1.285 347 W CB -0.059 29.112 29.460 -0.481 0.000 1.133 347 W HN -0.074 nan 8.180 nan 0.000 0.521 348 R N 0.793 121.019 120.500 -0.455 0.000 2.083 348 R HA -0.215 4.127 4.340 0.003 0.000 0.237 348 R C 1.964 177.994 176.300 -0.451 0.000 1.137 348 R CA 2.244 57.992 56.100 -0.586 0.000 0.951 348 R CB -0.657 29.381 30.300 -0.437 0.000 0.851 348 R HN 0.315 nan 8.270 nan 0.000 0.434 349 E N -0.049 119.961 120.200 -0.317 0.000 2.160 349 E HA -0.222 4.130 4.350 0.003 0.000 0.195 349 E C 1.831 178.266 176.600 -0.275 0.000 0.991 349 E CA 1.275 57.528 56.400 -0.245 0.000 0.810 349 E CB 0.048 29.640 29.700 -0.180 0.000 0.742 349 E HN 0.507 nan 8.360 nan 0.000 0.466 350 Q N -0.557 119.031 119.800 -0.355 0.000 2.319 350 Q HA 0.090 4.431 4.340 0.003 0.000 0.202 350 Q C 0.195 175.952 176.000 -0.405 0.000 0.896 350 Q CA 0.212 55.817 55.803 -0.330 0.000 0.942 350 Q CB 0.812 29.366 28.738 -0.306 0.000 1.083 350 Q HN 0.051 nan 8.270 nan 0.000 0.510 351 Q N -0.467 118.992 119.800 -0.568 0.000 2.781 351 Q HA 0.097 4.439 4.340 0.003 0.000 0.316 351 Q C -2.139 173.503 176.000 -0.597 0.000 0.768 351 Q CA -0.815 54.621 55.803 -0.612 0.000 1.035 351 Q CB 1.101 29.302 28.738 -0.894 0.000 1.466 351 Q HN 0.058 nan 8.270 nan 0.000 0.379 352 P HA -0.142 nan 4.420 nan 0.000 0.225 352 P C 0.811 177.928 177.300 -0.306 0.000 1.148 352 P CA 0.880 63.774 63.100 -0.344 0.000 0.779 352 P CB 0.570 32.128 31.700 -0.237 0.000 0.780 353 K N -0.053 120.187 120.400 -0.266 0.000 2.116 353 K HA 0.082 4.403 4.320 0.003 0.000 0.203 353 K C 2.125 178.600 176.600 -0.208 0.000 1.052 353 K CA 0.803 56.968 56.287 -0.204 0.000 0.952 353 K CB -1.078 31.350 32.500 -0.119 0.000 0.729 353 K HN 0.108 nan 8.250 nan 0.000 0.446 354 L N 0.277 121.379 121.223 -0.201 0.000 2.291 354 L HA 0.043 4.385 4.340 0.003 0.000 0.214 354 L C 0.499 177.401 176.870 0.052 0.000 1.120 354 L CA 0.086 54.912 54.840 -0.024 0.000 0.799 354 L CB -0.288 41.770 42.059 -0.003 0.000 0.925 354 L HN 0.041 nan 8.230 nan 0.000 0.446 355 A N -0.365 122.318 122.820 -0.228 0.000 2.366 355 A HA 0.374 4.696 4.320 0.003 0.000 0.272 355 A C -0.605 176.869 177.584 -0.184 0.000 1.135 355 A CA -0.082 51.957 52.037 0.003 0.000 0.804 355 A CB 0.006 18.903 19.000 -0.172 0.000 1.064 355 A HN 0.268 nan 8.150 nan 0.000 0.499 356 H N 2.234 121.471 119.070 0.278 0.000 2.806 356 H HA 0.227 4.785 4.556 0.003 0.000 0.367 356 H C -2.086 173.357 175.328 0.191 0.000 1.136 356 H CA -1.573 54.593 56.048 0.197 0.000 1.178 356 H CB 1.861 31.732 29.762 0.182 0.000 1.718 356 H HN 0.358 nan 8.280 nan 0.000 0.540 357 P HA -0.224 nan 4.420 nan 0.000 0.217 357 P C 1.630 178.971 177.300 0.068 0.000 1.151 357 P CA 1.526 64.699 63.100 0.121 0.000 0.849 357 P CB 0.429 32.191 31.700 0.102 0.000 0.787 358 Q N -0.334 119.549 119.800 0.138 0.000 2.084 358 Q HA -0.161 4.181 4.340 0.003 0.000 0.202 358 Q C 2.004 178.051 176.000 0.078 0.000 0.978 358 Q CA 1.425 57.297 55.803 0.116 0.000 0.844 358 Q CB -0.678 28.171 28.738 0.184 0.000 0.898 358 Q HN 0.197 nan 8.270 nan 0.000 0.426 359 L N 0.532 121.839 121.223 0.139 0.000 2.017 359 L HA -0.182 4.159 4.340 0.003 0.000 0.208 359 L C 2.683 179.478 176.870 -0.124 0.000 1.073 359 L CA 1.771 56.645 54.840 0.057 0.000 0.745 359 L CB -0.670 41.529 42.059 0.234 0.000 0.894 359 L HN 0.427 nan 8.230 nan 0.000 0.432 360 E N 0.607 120.706 120.200 -0.169 0.000 2.085 360 E HA -0.278 4.074 4.350 0.003 0.000 0.194 360 E C 2.191 178.498 176.600 -0.489 0.000 0.994 360 E CA 1.397 57.484 56.400 -0.521 0.000 0.801 360 E CB -0.013 29.439 29.700 -0.413 0.000 0.743 360 E HN 0.451 nan 8.360 nan 0.000 0.453 361 A N 1.129 123.680 122.820 -0.448 0.000 1.877 361 A HA -0.156 4.166 4.320 0.003 0.000 0.216 361 A C 2.257 179.325 177.584 -0.859 0.000 1.186 361 A CA 1.370 52.915 52.037 -0.820 0.000 0.620 361 A CB -0.741 17.793 19.000 -0.777 0.000 0.822 361 A HN 0.334 nan 8.150 nan 0.000 0.443 362 L N -1.108 119.914 121.223 -0.336 0.000 2.046 362 L HA -0.180 4.162 4.340 0.003 0.000 0.208 362 L C 2.571 179.392 176.870 -0.082 0.000 1.077 362 L CA 1.196 56.024 54.840 -0.020 0.000 0.747 362 L CB -0.549 41.492 42.059 -0.032 0.000 0.896 362 L HN 0.468 nan 8.230 nan 0.000 0.432 363 L N 0.379 121.474 121.223 -0.215 0.000 2.046 363 L HA -0.206 4.135 4.340 0.003 0.000 0.208 363 L C 2.764 179.522 176.870 -0.186 0.000 1.077 363 L CA 1.715 56.435 54.840 -0.199 0.000 0.747 363 L CB -0.621 41.264 42.059 -0.289 0.000 0.896 363 L HN 0.164 nan 8.230 nan 0.000 0.432 364 R N -1.349 118.968 120.500 -0.305 0.000 2.083 364 R HA -0.222 4.120 4.340 0.003 0.000 0.237 364 R C 2.133 178.380 176.300 -0.088 0.000 1.137 364 R CA 2.099 58.040 56.100 -0.265 0.000 0.951 364 R CB -0.636 29.420 30.300 -0.407 0.000 0.851 364 R HN 0.469 nan 8.270 nan 0.000 0.434 365 W N 0.404 121.703 121.300 -0.001 0.000 2.363 365 W HA 0.020 4.682 4.660 0.002 0.000 0.296 365 W C 2.400 178.927 176.519 0.013 0.000 1.212 365 W CA 0.796 58.162 57.345 0.035 0.000 1.260 365 W CB -1.002 28.522 29.460 0.107 0.000 1.131 365 W HN 0.361 nan 8.180 nan 0.000 0.530 366 A N 0.689 123.620 122.820 0.185 0.000 1.902 366 A HA 0.111 4.432 4.320 0.003 0.000 0.217 366 A C 1.704 179.331 177.584 0.071 0.000 1.181 366 A CA 1.592 53.687 52.037 0.096 0.000 0.623 366 A CB -1.182 17.843 19.000 0.041 0.000 0.818 366 A HN 0.057 nan 8.150 nan 0.000 0.443 370 H N 0.739 119.769 119.070 -0.067 0.000 2.489 370 H HA -0.034 4.524 4.556 0.003 0.000 0.293 370 H C 0.629 175.934 175.328 -0.039 0.000 1.066 370 H CA 1.569 57.544 56.048 -0.121 0.000 1.305 370 H CB 0.181 29.717 29.762 -0.378 0.000 1.386 370 H HN 0.527 nan 8.280 nan 0.000 0.551 371 E N 0.759 120.660 120.200 -0.499 0.000 2.501 371 E HA 0.087 4.438 4.350 0.003 0.000 0.200 371 E C 1.607 178.112 176.600 -0.160 0.000 1.016 371 E CA -0.099 56.113 56.400 -0.314 0.000 0.921 371 E CB 0.769 30.245 29.700 -0.373 0.000 1.034 371 E HN 0.155 nan 8.360 nan 0.000 0.468 372 V N 0.891 120.707 119.914 -0.164 0.000 2.660 372 V HA -0.173 3.949 4.120 0.003 0.000 0.257 372 V C 1.736 177.691 176.094 -0.232 0.000 1.088 372 V CA 2.202 64.368 62.300 -0.223 0.000 1.106 372 V CB -0.214 31.395 31.823 -0.355 0.000 0.686 372 V HN 0.408 nan 8.190 nan 0.000 0.481 373 G N -0.524 108.200 108.800 -0.126 0.000 3.181 373 G HA2 0.025 3.986 3.960 0.003 0.000 0.219 373 G HA3 0.025 3.986 3.960 0.003 0.000 0.219 373 G C 1.262 176.166 174.900 0.006 0.000 1.182 373 G CA 0.428 45.511 45.100 -0.029 0.000 0.791 373 G HN 0.686 nan 8.290 nan 0.000 0.537 374 L N -2.081 119.121 121.223 -0.035 0.000 2.141 374 L HA 0.061 4.402 4.340 0.003 0.000 0.209 374 L C 1.850 178.627 176.870 -0.155 0.000 1.094 374 L CA 1.252 56.016 54.840 -0.127 0.000 0.763 374 L CB -0.411 41.571 42.059 -0.128 0.000 0.908 374 L HN -0.061 nan 8.230 nan 0.000 0.437 375 N N 0.717 119.407 118.700 -0.017 0.000 2.494 375 N HA 0.028 4.769 4.740 0.003 0.000 0.182 375 N C 1.757 177.261 175.510 -0.010 0.000 1.076 375 N CA 1.257 54.312 53.050 0.009 0.000 0.908 375 N CB 0.101 38.643 38.487 0.092 0.000 0.967 375 N HN 0.534 nan 8.380 nan 0.000 0.449 376 I N -0.249 120.303 120.570 -0.031 0.000 2.272 376 I HA -0.033 4.139 4.170 0.003 0.000 0.235 376 I C 0.545 176.593 176.117 -0.115 0.000 1.071 376 I CA 0.656 61.889 61.300 -0.112 0.000 1.374 376 I CB 0.103 37.973 38.000 -0.217 0.000 1.121 376 I HN 0.011 nan 8.210 nan 0.000 0.420 377 N N -1.138 117.541 118.700 -0.035 0.000 2.446 377 N HA 0.153 4.895 4.740 0.003 0.000 0.272 377 N C 0.231 175.819 175.510 0.129 0.000 1.127 377 N CA -0.417 52.681 53.050 0.080 0.000 0.896 377 N CB 1.308 39.870 38.487 0.124 0.000 1.658 377 N HN 0.117 nan 8.380 nan 0.000 0.483 378 H N -0.093 119.052 119.070 0.124 0.000 2.357 378 H HA -0.014 4.543 4.556 0.003 0.000 0.301 378 H C 0.370 175.763 175.328 0.109 0.000 1.082 378 H CA 1.013 57.125 56.048 0.107 0.000 1.342 378 H CB 0.252 30.062 29.762 0.080 0.000 1.389 378 H HN 0.466 nan 8.280 nan 0.000 0.511 379 S N -0.216 115.634 115.700 0.249 0.000 2.545 379 S HA 0.383 4.854 4.470 0.003 0.000 0.275 379 S C 1.282 175.947 174.600 0.108 0.000 1.299 379 S CA -0.075 58.222 58.200 0.161 0.000 1.048 379 S CB 1.541 64.821 63.200 0.133 0.000 0.938 379 S HN 0.616 nan 8.310 nan 0.000 0.496 380 G N 1.011 109.799 108.800 -0.020 0.000 2.168 380 G HA2 -0.277 3.685 3.960 0.003 0.000 0.257 380 G HA3 -0.277 3.685 3.960 0.003 0.000 0.257 380 G C 0.432 174.899 174.900 -0.722 0.000 0.997 380 G CA 0.337 45.225 45.100 -0.353 0.000 0.708 380 G HN 0.911 nan 8.290 nan 0.000 0.520 381 L N 1.007 122.087 121.223 -0.239 0.000 2.021 381 L HA -0.122 4.220 4.340 0.003 0.000 0.215 381 L C 2.717 179.497 176.870 -0.149 0.000 1.074 381 L CA 3.365 58.129 54.840 -0.127 0.000 0.760 381 L CB -0.921 41.186 42.059 0.081 0.000 0.889 381 L HN 0.742 nan 8.230 nan 0.000 0.433 382 H N -1.760 117.210 119.070 -0.167 0.000 2.390 382 H HA -0.154 4.403 4.556 0.002 0.000 0.298 382 H C 2.209 177.430 175.328 -0.180 0.000 1.106 382 H CA 1.705 57.648 56.048 -0.175 0.000 1.297 382 H CB -0.520 28.903 29.762 -0.565 0.000 1.375 382 H HN 0.355 nan 8.280 nan 0.000 0.509 383 R N 0.016 120.003 120.500 -0.854 0.000 2.062 383 R HA -0.081 4.260 4.340 0.003 0.000 0.229 383 R C 2.271 178.430 176.300 -0.235 0.000 1.128 383 R CA 1.320 57.083 56.100 -0.563 0.000 0.960 383 R CB -0.249 29.672 30.300 -0.632 0.000 0.855 383 R HN 0.549 nan 8.270 nan 0.000 0.432 384 H N 0.185 119.172 119.070 -0.139 0.000 2.353 384 H HA 0.028 4.586 4.556 0.003 0.000 0.300 384 H C 2.228 177.538 175.328 -0.030 0.000 1.090 384 H CA 1.246 57.256 56.048 -0.063 0.000 1.327 384 H CB -0.441 29.274 29.762 -0.078 0.000 1.383 384 H HN 0.077 nan 8.280 nan 0.000 0.508 385 S N 0.738 116.458 115.700 0.033 0.000 2.356 385 S HA -0.125 4.347 4.470 0.003 0.000 0.223 385 S C 2.490 177.074 174.600 -0.028 0.000 1.032 385 S CA 1.016 59.203 58.200 -0.021 0.000 1.005 385 S CB -0.345 62.864 63.200 0.015 0.000 0.867 385 S HN 0.591 nan 8.310 nan 0.000 0.449 386 A N 0.397 123.210 122.820 -0.012 0.000 1.908 386 A HA -0.149 4.172 4.320 0.003 0.000 0.218 386 A C 1.942 179.509 177.584 -0.029 0.000 1.181 386 A CA 1.660 53.678 52.037 -0.032 0.000 0.627 386 A CB -0.991 17.969 19.000 -0.066 0.000 0.818 386 A HN 0.585 nan 8.150 nan 0.000 0.445 387 Y N 0.417 120.674 120.300 -0.073 0.000 2.128 387 Y HA -0.217 4.334 4.550 0.002 0.000 0.284 387 Y C 2.076 177.936 175.900 -0.067 0.000 1.154 387 Y CA 1.988 60.056 58.100 -0.053 0.000 1.149 387 Y CB -0.251 38.196 38.460 -0.021 0.000 0.976 387 Y HN 0.282 nan 8.280 nan 0.000 0.505 388 I N -0.359 120.236 120.570 0.042 0.000 2.163 388 I HA -0.366 3.805 4.170 0.003 0.000 0.243 388 I C 2.297 178.306 176.117 -0.179 0.000 1.085 388 I CA 1.512 62.761 61.300 -0.084 0.000 1.347 388 I CB -0.522 37.336 38.000 -0.237 0.000 1.044 388 I HN 0.248 nan 8.210 nan 0.000 0.408 389 L N 0.001 121.116 121.223 -0.181 0.000 2.046 389 L HA -0.248 4.094 4.340 0.003 0.000 0.208 389 L C 2.683 179.431 176.870 -0.204 0.000 1.077 389 L CA 1.470 56.190 54.840 -0.199 0.000 0.747 389 L CB -0.562 41.403 42.059 -0.158 0.000 0.896 389 L HN 0.350 nan 8.230 nan 0.000 0.432 390 Q N -0.106 119.576 119.800 -0.196 0.000 2.172 390 Q HA -0.142 4.200 4.340 0.003 0.000 0.200 390 Q C 1.581 177.447 176.000 -0.224 0.000 0.964 390 Q CA 1.283 56.971 55.803 -0.191 0.000 0.855 390 Q CB 0.238 28.862 28.738 -0.191 0.000 0.918 390 Q HN 0.474 nan 8.270 nan 0.000 0.444 391 N N -0.390 118.133 118.700 -0.296 0.000 2.220 391 N HA 0.101 4.842 4.740 0.003 0.000 0.195 391 N C -0.337 175.081 175.510 -0.153 0.000 1.123 391 N CA 0.082 52.967 53.050 -0.274 0.000 0.874 391 N CB 0.771 38.968 38.487 -0.482 0.000 0.995 391 N HN -0.002 nan 8.380 nan 0.000 0.498 392 S N 0.861 116.478 115.700 -0.138 0.000 2.614 392 S HA 0.055 4.526 4.470 0.003 0.000 0.265 392 S C -0.066 174.486 174.600 -0.080 0.000 1.303 392 S CA -0.315 57.835 58.200 -0.083 0.000 1.000 392 S CB 1.244 64.394 63.200 -0.083 0.000 0.935 392 S HN 0.127 nan 8.310 nan 0.000 0.551 393 D N 1.582 121.956 120.400 -0.043 0.000 2.339 393 D HA 0.259 4.900 4.640 0.003 0.000 0.241 393 D C -1.039 175.238 176.300 -0.038 0.000 1.183 393 D CA -0.123 53.861 54.000 -0.028 0.000 0.859 393 D CB -0.033 40.765 40.800 -0.004 0.000 1.067 393 D HN 0.287 nan 8.370 nan 0.000 0.484 394 L N 6.020 127.215 121.223 -0.048 0.000 2.337 394 L HA 0.375 4.717 4.340 0.003 0.000 0.269 394 L C -2.135 174.821 176.870 0.144 0.000 1.018 394 L CA -2.038 52.775 54.840 -0.045 0.000 0.876 394 L CB 1.546 43.392 42.059 -0.355 0.000 1.236 394 L HN 0.187 nan 8.230 nan 0.000 0.436 395 P HA 0.035 nan 4.420 nan 0.000 0.261 395 P C 0.971 178.349 177.300 0.130 0.000 1.183 395 P CA 0.842 64.006 63.100 0.106 0.000 0.761 395 P CB 0.844 32.579 31.700 0.059 0.000 0.785 396 G N 1.783 110.629 108.800 0.077 0.000 2.217 396 G HA2 -0.247 3.715 3.960 0.003 0.000 0.246 396 G HA3 -0.247 3.715 3.960 0.003 0.000 0.246 396 G C -0.061 174.768 174.900 -0.119 0.000 0.990 396 G CA -0.592 44.484 45.100 -0.040 0.000 0.627 396 G HN 0.413 nan 8.290 nan 0.000 0.522 397 F N 2.334 122.264 119.950 -0.033 0.000 2.394 397 F HA 0.537 5.066 4.527 0.002 0.000 0.340 397 F C 0.884 176.698 175.800 0.023 0.000 1.105 397 F CA -0.403 57.593 58.000 -0.007 0.000 1.124 397 F CB 1.102 40.083 39.000 -0.031 0.000 1.145 397 F HN 0.345 nan 8.300 nan 0.000 0.505 398 N N 1.256 120.075 118.700 0.199 0.000 2.413 398 N HA 0.120 4.862 4.740 0.003 0.000 0.266 398 N C 0.542 176.168 175.510 0.194 0.000 1.238 398 N CA -0.564 52.581 53.050 0.158 0.000 0.972 398 N CB 0.407 38.957 38.487 0.104 0.000 1.210 398 N HN 0.715 nan 8.380 nan 0.000 0.547 399 Q N -0.587 119.299 119.800 0.142 0.000 2.050 399 Q HA -0.166 4.176 4.340 0.003 0.000 0.202 399 Q C 1.164 177.281 176.000 0.194 0.000 0.980 399 Q CA 1.597 57.479 55.803 0.133 0.000 0.840 399 Q CB -0.013 28.780 28.738 0.091 0.000 0.898 399 Q HN 0.723 nan 8.270 nan 0.000 0.424 400 E N -0.139 120.204 120.200 0.238 0.000 2.107 400 E HA -0.199 4.153 4.350 0.003 0.000 0.191 400 E C 2.125 179.014 176.600 0.482 0.000 0.982 400 E CA 0.858 57.494 56.400 0.395 0.000 0.809 400 E CB 0.021 29.947 29.700 0.376 0.000 0.756 400 E HN 0.452 nan 8.360 nan 0.000 0.459 401 Q N 0.692 120.756 119.800 0.441 0.000 2.061 401 Q HA -0.259 4.082 4.340 0.003 0.000 0.204 401 Q C 2.267 178.463 176.000 0.327 0.000 0.984 401 Q CA 1.741 57.809 55.803 0.442 0.000 0.846 401 Q CB -0.144 28.872 28.738 0.462 0.000 0.902 401 Q HN 0.265 nan 8.270 nan 0.000 0.421 402 Q N 0.317 120.288 119.800 0.284 0.000 2.050 402 Q HA -0.135 4.207 4.340 0.003 0.000 0.202 402 Q C 0.807 176.832 176.000 0.042 0.000 0.980 402 Q CA 0.551 56.391 55.803 0.062 0.000 0.840 402 Q CB -0.045 28.685 28.738 -0.014 0.000 0.898 402 Q HN 0.194 nan 8.270 nan 0.000 0.424 407 T N 1.546 116.143 114.554 0.072 0.000 2.777 407 T HA -0.051 4.300 4.350 0.003 0.000 0.266 407 T C 1.868 176.689 174.700 0.201 0.000 1.040 407 T CA 1.613 63.808 62.100 0.159 0.000 1.141 407 T CB -0.449 68.577 68.868 0.263 0.000 0.868 407 T HN 0.343 nan 8.240 nan 0.000 0.444 408 L N 0.744 122.043 121.223 0.127 0.000 2.013 408 L HA -0.130 4.212 4.340 0.003 0.000 0.212 408 L C 2.656 179.629 176.870 0.171 0.000 1.073 408 L CA 1.144 56.068 54.840 0.140 0.000 0.753 408 L CB -0.787 41.302 42.059 0.051 0.000 0.890 408 L HN 0.167 nan 8.230 nan 0.000 0.432 409 V N -0.489 119.509 119.914 0.140 0.000 2.379 409 V HA -0.215 3.907 4.120 0.003 0.000 0.245 409 V C 2.617 178.856 176.094 0.242 0.000 1.044 409 V CA 1.519 63.960 62.300 0.235 0.000 1.036 409 V CB -0.550 31.361 31.823 0.146 0.000 0.664 409 V HN 0.397 nan 8.190 nan 0.000 0.453 410 R N 0.454 120.960 120.500 0.011 0.000 2.103 410 R HA -0.190 4.152 4.340 0.003 0.000 0.242 410 R C 1.440 177.514 176.300 -0.377 0.000 1.142 410 R CA 1.972 57.917 56.100 -0.258 0.000 0.960 410 R CB -0.618 29.382 30.300 -0.501 0.000 0.858 410 R HN 0.564 nan 8.270 nan 0.000 0.439 411 Y N 0.751 121.125 120.300 0.123 0.000 2.683 411 Y HA 0.159 4.711 4.550 0.003 0.000 0.297 411 Y C 1.303 177.216 175.900 0.021 0.000 1.147 411 Y CA 0.008 58.136 58.100 0.047 0.000 1.274 411 Y CB -0.330 38.167 38.460 0.061 0.000 1.143 411 Y HN 0.367 nan 8.280 nan 0.000 0.527 412 H N -1.133 117.978 119.070 0.069 0.000 2.548 412 H HA 0.298 4.856 4.556 0.003 0.000 0.268 412 H C 0.123 175.420 175.328 -0.051 0.000 0.975 412 H CA 0.307 56.376 56.048 0.035 0.000 1.195 412 H CB 0.521 30.308 29.762 0.041 0.000 1.397 412 H HN 0.178 nan 8.280 nan 0.000 0.572 413 R N 0.712 120.891 120.500 -0.534 0.000 2.867 413 R HA 0.285 4.627 4.340 0.003 0.000 0.268 413 R C -0.193 175.735 176.300 -0.621 0.000 1.014 413 R CA -0.918 54.844 56.100 -0.564 0.000 0.946 413 R CB 1.728 31.596 30.300 -0.720 0.000 1.208 413 R HN 0.048 nan 8.270 nan 0.000 0.477 414 K N -0.686 119.371 120.400 -0.571 0.000 1.079 414 K HA -0.195 4.126 4.320 0.003 0.000 0.797 414 K C -0.790 175.335 176.600 -0.792 0.000 2.041 414 K CA 1.015 56.956 56.287 -0.578 0.000 1.300 414 K CB -1.386 30.954 32.500 -0.267 0.000 2.431 414 K HN 0.829 nan 8.250 nan 0.000 0.332 415 A N 0.536 123.134 122.820 -0.370 0.000 2.450 415 A HA 0.493 4.815 4.320 0.003 0.000 0.255 415 A C 0.160 177.695 177.584 -0.082 0.000 1.096 415 A CA 0.020 51.965 52.037 -0.153 0.000 0.778 415 A CB -0.093 18.979 19.000 0.120 0.000 1.031 415 A HN 0.526 nan 8.150 nan 0.000 0.494 416 I N 2.029 122.512 120.570 -0.144 0.000 2.354 416 I HA 0.602 4.773 4.170 0.003 0.000 0.292 416 I C -0.182 175.764 176.117 -0.285 0.000 0.989 416 I CA -0.571 60.576 61.300 -0.255 0.000 1.188 416 I CB 1.388 39.161 38.000 -0.378 0.000 1.342 416 I HN 0.602 nan 8.210 nan 0.000 0.457 417 K N 6.461 126.695 120.400 -0.277 0.000 2.413 417 K HA 0.394 4.715 4.320 0.003 0.000 0.257 417 K C -0.399 176.037 176.600 -0.273 0.000 0.946 417 K CA -0.544 55.602 56.287 -0.234 0.000 0.823 417 K CB 1.551 33.982 32.500 -0.116 0.000 1.109 417 K HN 0.506 nan 8.250 nan 0.000 0.427 418 L N 2.316 123.371 121.223 -0.281 0.000 2.191 418 L HA -0.120 4.222 4.340 0.003 0.000 0.212 418 L C 1.055 177.846 176.870 -0.133 0.000 1.103 418 L CA 1.608 56.306 54.840 -0.238 0.000 0.769 418 L CB -0.664 41.248 42.059 -0.244 0.000 0.908 418 L HN 0.869 nan 8.230 nan 0.000 0.438 419 D N -0.532 119.804 120.400 -0.107 0.000 2.264 419 D HA -0.162 4.480 4.640 0.003 0.000 0.208 419 D C 1.018 177.295 176.300 -0.038 0.000 0.966 419 D CA 1.004 54.969 54.000 -0.059 0.000 0.864 419 D CB 0.090 40.861 40.800 -0.048 0.000 0.933 419 D HN 0.383 nan 8.370 nan 0.000 0.499 420 D N 0.343 120.714 120.400 -0.048 0.000 2.347 420 D HA 0.072 4.714 4.640 0.003 0.000 0.213 420 D C 0.819 177.134 176.300 0.025 0.000 0.985 420 D CA 0.072 54.074 54.000 0.003 0.000 0.879 420 D CB 0.326 41.152 40.800 0.043 0.000 0.919 420 D HN 0.203 nan 8.370 nan 0.000 0.526 421 L N 2.664 123.879 121.223 -0.014 0.000 2.416 421 L HA 0.192 4.534 4.340 0.003 0.000 0.272 421 L C -1.735 175.142 176.870 0.011 0.000 1.161 421 L CA -1.513 53.358 54.840 0.051 0.000 0.845 421 L CB 0.222 42.349 42.059 0.113 0.000 1.119 421 L HN -0.138 nan 8.230 nan 0.000 0.464 422 P HA 0.130 nan 4.420 nan 0.000 0.272 422 P C -1.008 176.042 177.300 -0.417 0.000 1.230 422 P CA -0.434 62.482 63.100 -0.307 0.000 0.788 422 P CB 0.536 31.926 31.700 -0.516 0.000 0.949 423 R N 1.706 121.997 120.500 -0.349 0.000 2.297 423 R HA 0.473 4.814 4.340 0.003 0.000 0.308 423 R C -0.151 175.935 176.300 -0.357 0.000 1.029 423 R CA -0.267 55.720 56.100 -0.189 0.000 0.929 423 R CB -0.023 30.243 30.300 -0.056 0.000 1.046 423 R HN 0.424 nan 8.270 nan 0.000 0.461 424 F N -0.432 119.586 119.950 0.113 0.000 2.523 424 F HA 0.285 4.815 4.527 0.005 0.000 0.329 424 F C 1.770 177.619 175.800 0.081 0.000 1.061 424 F CA -0.549 57.515 58.000 0.105 0.000 0.967 424 F CB 1.718 40.830 39.000 0.186 0.000 1.218 424 F HN 0.538 nan 8.300 nan 0.000 0.480 425 T N -2.394 112.285 114.554 0.209 0.000 2.969 425 T HA 0.111 4.463 4.350 0.003 0.000 0.250 425 T C 1.267 175.942 174.700 -0.042 0.000 1.021 425 T CA 0.250 62.394 62.100 0.073 0.000 1.003 425 T CB -0.050 68.835 68.868 0.028 0.000 1.040 425 T HN 0.299 nan 8.240 nan 0.000 0.492 426 L N 0.315 121.409 121.223 -0.215 0.000 2.418 426 L HA 0.506 4.848 4.340 0.003 0.000 0.218 426 L C -0.548 175.894 176.870 -0.713 0.000 1.125 426 L CA 0.535 55.003 54.840 -0.620 0.000 0.835 426 L CB -0.566 40.824 42.059 -1.114 0.000 0.953 426 L HN 0.295 nan 8.230 nan 0.000 0.454 427 F N -1.368 118.646 119.950 0.107 0.000 2.556 427 F HA 0.502 5.031 4.527 0.002 0.000 0.314 427 F C 0.296 176.264 175.800 0.279 0.000 1.106 427 F CA -1.452 56.621 58.000 0.121 0.000 0.911 427 F CB 1.087 40.059 39.000 -0.047 0.000 1.190 427 F HN -0.390 nan 8.300 nan 0.000 0.448 428 K N 2.090 122.743 120.400 0.421 0.000 2.174 428 K HA 0.291 4.613 4.320 0.003 0.000 0.275 428 K C 1.071 177.862 176.600 0.318 0.000 1.015 428 K CA -0.718 55.769 56.287 0.333 0.000 0.933 428 K CB 0.957 33.581 32.500 0.207 0.000 1.025 428 K HN 0.412 nan 8.250 nan 0.000 0.463 429 K N 2.443 122.954 120.400 0.185 0.000 2.059 429 K HA -0.271 4.051 4.320 0.003 0.000 0.212 429 K C 1.424 177.815 176.600 -0.348 0.000 1.050 429 K CA 2.050 58.172 56.287 -0.276 0.000 0.927 429 K CB -0.093 32.350 32.500 -0.095 0.000 0.714 429 K HN 0.641 nan 8.250 nan 0.000 0.447 430 K N 0.566 120.923 120.400 -0.071 0.000 2.211 430 K HA -0.199 4.122 4.320 0.003 0.000 0.204 430 K C 1.948 178.588 176.600 0.067 0.000 1.047 430 K CA 1.430 57.718 56.287 0.002 0.000 0.935 430 K CB -0.158 32.385 32.500 0.073 0.000 0.728 430 K HN 0.268 nan 8.250 nan 0.000 0.452 431 Q N 0.483 120.348 119.800 0.108 0.000 2.061 431 Q HA -0.041 4.301 4.340 0.003 0.000 0.195 431 Q C 2.130 178.200 176.000 0.117 0.000 0.967 431 Q CA 1.460 57.406 55.803 0.238 0.000 0.829 431 Q CB -0.179 28.769 28.738 0.349 0.000 0.900 431 Q HN 0.602 nan 8.270 nan 0.000 0.450 432 F N -0.522 119.457 119.950 0.049 0.000 2.512 432 F HA 0.116 4.644 4.527 0.002 0.000 0.296 432 F C 1.649 177.425 175.800 -0.040 0.000 1.110 432 F CA 0.271 58.234 58.000 -0.062 0.000 1.446 432 F CB -0.446 38.453 39.000 -0.169 0.000 1.092 432 F HN -0.112 nan 8.300 nan 0.000 0.554 433 L N 1.340 122.300 121.223 -0.439 0.000 2.012 433 L HA -0.117 4.225 4.340 0.003 0.000 0.210 433 L C -0.171 176.532 176.870 -0.279 0.000 1.073 433 L CA 1.538 56.248 54.840 -0.216 0.000 0.748 433 L CB -2.119 39.851 42.059 -0.149 0.000 0.891 433 L HN 0.144 nan 8.230 nan 0.000 0.431 434 P HA -0.138 nan 4.420 nan 0.000 0.223 434 P C 1.868 178.951 177.300 -0.362 0.000 1.151 434 P CA 1.239 64.094 63.100 -0.408 0.000 0.787 434 P CB 0.027 31.545 31.700 -0.302 0.000 0.788 435 L N -0.991 120.071 121.223 -0.268 0.000 2.093 435 L HA -0.109 4.233 4.340 0.003 0.000 0.208 435 L C 2.656 179.481 176.870 -0.076 0.000 1.085 435 L CA 1.273 56.015 54.840 -0.162 0.000 0.755 435 L CB -0.853 41.149 42.059 -0.094 0.000 0.904 435 L HN -0.100 nan 8.230 nan 0.000 0.435 436 I N -0.284 120.264 120.570 -0.036 0.000 2.179 436 I HA -0.320 3.852 4.170 0.003 0.000 0.242 436 I C 2.663 178.756 176.117 -0.040 0.000 1.088 436 I CA 1.412 62.740 61.300 0.048 0.000 1.357 436 I CB -0.356 37.755 38.000 0.185 0.000 1.051 436 I HN 0.344 nan 8.210 nan 0.000 0.409 437 Q N 0.608 120.209 119.800 -0.331 0.000 2.061 437 Q HA -0.202 4.140 4.340 0.003 0.000 0.204 437 Q C 2.395 178.399 176.000 0.007 0.000 0.984 437 Q CA 1.512 57.038 55.803 -0.461 0.000 0.846 437 Q CB -0.185 27.700 28.738 -1.423 0.000 0.902 437 Q HN 0.504 nan 8.270 nan 0.000 0.421 438 L N -0.070 121.193 121.223 0.067 0.000 1.994 438 L HA -0.220 4.122 4.340 0.003 0.000 0.208 438 L C 2.360 179.287 176.870 0.095 0.000 1.071 438 L CA 0.682 55.621 54.840 0.164 0.000 0.745 438 L CB -0.466 41.643 42.059 0.083 0.000 0.892 438 L HN 0.266 nan 8.230 nan 0.000 0.431 439 L N -0.105 121.141 121.223 0.039 0.000 2.046 439 L HA -0.188 4.154 4.340 0.003 0.000 0.208 439 L C 2.717 179.619 176.870 0.054 0.000 1.077 439 L CA 1.679 56.525 54.840 0.009 0.000 0.747 439 L CB -0.519 41.536 42.059 -0.006 0.000 0.896 439 L HN 0.089 nan 8.230 nan 0.000 0.432 440 R N -0.852 119.724 120.500 0.128 0.000 2.091 440 R HA -0.142 4.199 4.340 0.003 0.000 0.238 440 R C 2.247 178.652 176.300 0.176 0.000 1.136 440 R CA 1.815 58.025 56.100 0.182 0.000 0.959 440 R CB -0.558 29.890 30.300 0.248 0.000 0.856 440 R HN 0.384 nan 8.270 nan 0.000 0.437 441 L N -0.697 120.642 121.223 0.193 0.000 2.109 441 L HA -0.024 4.318 4.340 0.003 0.000 0.207 441 L C 2.560 179.510 176.870 0.134 0.000 1.086 441 L CA 1.184 56.134 54.840 0.183 0.000 0.760 441 L CB -0.623 41.571 42.059 0.226 0.000 0.910 441 L HN 0.350 nan 8.230 nan 0.000 0.437 442 G N -0.498 108.356 108.800 0.090 0.000 2.408 442 G HA2 -0.155 3.807 3.960 0.003 0.000 0.217 442 G HA3 -0.155 3.807 3.960 0.003 0.000 0.217 442 G C 1.586 176.497 174.900 0.019 0.000 1.150 442 G CA 0.736 45.861 45.100 0.041 0.000 0.776 442 G HN 0.159 nan 8.290 nan 0.000 0.542 443 V N 0.952 120.863 119.914 -0.005 0.000 2.323 443 V HA -0.060 4.062 4.120 0.003 0.000 0.244 443 V C 2.637 178.790 176.094 0.098 0.000 1.041 443 V CA 1.522 63.816 62.300 -0.011 0.000 1.025 443 V CB -0.372 31.435 31.823 -0.027 0.000 0.656 443 V HN 0.440 nan 8.190 nan 0.000 0.451 444 L N -0.424 120.876 121.223 0.127 0.000 2.042 444 L HA -0.196 4.146 4.340 0.003 0.000 0.210 444 L C 2.261 179.224 176.870 0.156 0.000 1.076 444 L CA 1.846 56.773 54.840 0.146 0.000 0.749 444 L CB -0.244 41.907 42.059 0.153 0.000 0.893 444 L HN 0.260 nan 8.230 nan 0.000 0.432 445 L N 0.170 121.491 121.223 0.164 0.000 2.362 445 L HA -0.136 4.206 4.340 0.003 0.000 0.219 445 L C 1.342 178.320 176.870 0.179 0.000 1.134 445 L CA 0.637 55.596 54.840 0.199 0.000 0.807 445 L CB -0.444 41.737 42.059 0.203 0.000 0.927 445 L HN 0.430 nan 8.230 nan 0.000 0.447 446 N N -0.550 118.236 118.700 0.142 0.000 2.238 446 N HA 0.020 4.761 4.740 0.003 0.000 0.222 446 N C 0.783 176.373 175.510 0.133 0.000 1.133 446 N CA -0.042 53.087 53.050 0.132 0.000 0.854 446 N CB 0.214 38.768 38.487 0.111 0.000 1.041 446 N HN 0.227 nan 8.380 nan 0.000 0.510 447 N N 1.627 120.409 118.700 0.137 0.000 2.132 447 N HA -0.187 4.555 4.740 0.003 0.000 0.191 447 N C 1.150 176.727 175.510 0.113 0.000 1.015 447 N CA 1.310 54.437 53.050 0.129 0.000 0.864 447 N CB -0.035 38.524 38.487 0.120 0.000 1.006 447 N HN 0.485 nan 8.380 nan 0.000 0.430 448 Q N 0.260 120.124 119.800 0.106 0.000 2.444 448 Q HA 0.134 4.476 4.340 0.003 0.000 0.206 448 Q C 0.192 176.244 176.000 0.086 0.000 0.948 448 Q CA -0.176 55.680 55.803 0.087 0.000 0.946 448 Q CB 0.341 29.125 28.738 0.076 0.000 1.027 448 Q HN 0.260 nan 8.270 nan 0.000 0.513 449 R N -0.129 120.431 120.500 0.099 0.000 3.910 449 R HA -0.271 4.071 4.340 0.003 0.000 0.415 449 R C 1.142 177.492 176.300 0.082 0.000 0.241 449 R CA 1.636 57.792 56.100 0.094 0.000 1.327 449 R CB -1.608 28.746 30.300 0.090 0.000 1.012 449 R HN 0.291 nan 8.270 nan 0.000 0.557 450 Q N 1.334 121.176 119.800 0.071 0.000 2.500 450 Q HA 0.060 4.402 4.340 0.003 0.000 0.213 450 Q C 1.580 177.615 176.000 0.058 0.000 0.974 450 Q CA 1.784 57.625 55.803 0.063 0.000 0.918 450 Q CB 0.075 28.846 28.738 0.055 0.000 0.980 450 Q HN 0.601 nan 8.270 nan 0.000 0.505 451 A N 1.082 123.936 122.820 0.058 0.000 2.251 451 A HA 0.098 4.420 4.320 0.003 0.000 0.209 451 A C 0.728 178.350 177.584 0.062 0.000 1.187 451 A CA -0.001 52.067 52.037 0.051 0.000 0.823 451 A CB -0.247 18.778 19.000 0.042 0.000 0.846 451 A HN 0.274 nan 8.150 nan 0.000 0.486 452 T N 1.858 116.461 114.554 0.082 0.000 2.946 452 T HA 0.216 4.567 4.350 0.003 0.000 0.311 452 T C 0.226 174.998 174.700 0.119 0.000 1.063 452 T CA 0.754 62.920 62.100 0.109 0.000 1.139 452 T CB 0.386 69.329 68.868 0.124 0.000 0.994 452 T HN 0.270 nan 8.240 nan 0.000 0.547 453 T N 4.016 118.664 114.554 0.157 0.000 2.743 453 T HA 0.326 4.678 4.350 0.003 0.000 0.292 453 T C 0.343 175.259 174.700 0.360 0.000 0.972 453 T CA -0.607 61.619 62.100 0.209 0.000 0.967 453 T CB 0.604 69.553 68.868 0.134 0.000 0.926 453 T HN 0.529 nan 8.240 nan 0.000 0.459 454 T N 6.870 121.582 114.554 0.263 0.000 2.749 454 T HA 0.329 4.681 4.350 0.003 0.000 0.295 454 T C -2.135 172.681 174.700 0.194 0.000 0.936 454 T CA -1.261 60.957 62.100 0.197 0.000 1.060 454 T CB 0.587 69.517 68.868 0.103 0.000 0.904 454 T HN 0.356 nan 8.240 nan 0.000 0.500 455 P HA 0.167 nan 4.420 nan 0.000 0.267 455 P C -2.101 175.084 177.300 -0.191 0.000 1.205 455 P CA -1.297 61.575 63.100 -0.379 0.000 0.765 455 P CB 0.447 31.571 31.700 -0.960 0.000 0.828 456 P HA -0.092 nan 4.420 nan 0.000 0.219 456 P C 0.354 177.586 177.300 -0.114 0.000 1.146 456 P CA 1.635 64.702 63.100 -0.056 0.000 0.808 456 P CB 0.019 31.720 31.700 0.001 0.000 0.779 457 T N -3.102 111.335 114.554 -0.195 0.000 2.933 457 T HA 0.633 4.984 4.350 0.003 0.000 0.305 457 T C -1.401 173.095 174.700 -0.341 0.000 1.092 457 T CA -0.914 61.060 62.100 -0.209 0.000 1.008 457 T CB 1.723 70.503 68.868 -0.148 0.000 1.102 457 T HN -0.148 nan 8.240 nan 0.000 0.469 458 L N 1.840 122.864 121.223 -0.331 0.000 2.528 458 L HA 0.670 5.012 4.340 0.003 0.000 0.267 458 L C -0.905 175.768 176.870 -0.329 0.000 0.961 458 L CA -0.071 54.488 54.840 -0.469 0.000 0.866 458 L CB 2.250 43.995 42.059 -0.523 0.000 1.248 458 L HN 0.975 nan 8.230 nan 0.000 0.404 459 T N 5.703 120.067 114.554 -0.316 0.000 2.770 459 T HA 0.558 4.909 4.350 0.003 0.000 0.283 459 T C -0.901 173.681 174.700 -0.196 0.000 0.988 459 T CA -0.218 61.757 62.100 -0.209 0.000 0.957 459 T CB 1.129 69.906 68.868 -0.152 0.000 0.930 459 T HN 0.478 nan 8.240 nan 0.000 0.443 460 L N 5.376 126.491 121.223 -0.180 0.000 2.272 460 L HA 0.677 5.019 4.340 0.003 0.000 0.289 460 L C -1.321 175.437 176.870 -0.187 0.000 1.032 460 L CA -0.496 54.235 54.840 -0.183 0.000 0.810 460 L CB 0.360 42.279 42.059 -0.234 0.000 1.205 460 L HN 0.531 nan 8.230 nan 0.000 0.422 461 I N 4.434 124.917 120.570 -0.145 0.000 2.389 461 I HA 0.474 4.646 4.170 0.003 0.000 0.288 461 I C 0.217 176.251 176.117 -0.139 0.000 0.999 461 I CA -0.159 61.066 61.300 -0.125 0.000 1.129 461 I CB 1.889 39.858 38.000 -0.052 0.000 1.288 461 I HN 0.722 nan 8.210 nan 0.000 0.444 462 T N 0.582 115.011 114.554 -0.208 0.000 2.925 462 T HA 0.686 5.038 4.350 0.003 0.000 0.285 462 T C -0.677 174.019 174.700 -0.008 0.000 1.021 462 T CA -0.681 61.295 62.100 -0.206 0.000 1.042 462 T CB 1.955 70.585 68.868 -0.395 0.000 1.037 462 T HN 0.549 nan 8.240 nan 0.000 0.481 463 D N 1.128 121.614 120.400 0.144 0.000 2.381 463 D HA 0.305 4.947 4.640 0.003 0.000 0.245 463 D C -0.225 176.178 176.300 0.172 0.000 1.297 463 D CA 0.023 54.105 54.000 0.138 0.000 0.931 463 D CB 0.197 41.096 40.800 0.165 0.000 1.334 463 D HN 0.683 nan 8.370 nan 0.000 0.535 464 D N 0.596 121.075 120.400 0.132 0.000 3.528 464 D HA -0.234 4.408 4.640 0.003 0.000 0.163 464 D C 0.544 177.003 176.300 0.264 0.000 1.069 464 D CA 1.508 55.585 54.000 0.129 0.000 1.082 464 D CB -1.029 39.774 40.800 0.005 0.000 0.538 464 D HN 0.266 nan 8.370 nan 0.000 0.579 465 S N -0.433 115.280 115.700 0.021 0.000 2.593 465 S HA 0.019 4.491 4.470 0.003 0.000 0.217 465 S C -0.070 174.505 174.600 -0.041 0.000 0.966 465 S CA -0.036 58.056 58.200 -0.180 0.000 0.914 465 S CB -0.153 62.846 63.200 -0.335 0.000 0.776 465 S HN 0.254 nan 8.310 nan 0.000 0.523 466 H N 0.778 120.024 119.070 0.294 0.000 2.846 466 H HA 0.209 4.767 4.556 0.003 0.000 0.278 466 H C -0.887 174.768 175.328 0.545 0.000 1.117 466 H CA -0.640 55.610 56.048 0.338 0.000 1.406 466 H CB -0.212 29.687 29.762 0.229 0.000 1.445 466 H HN 0.257 nan 8.280 nan 0.000 0.469 467 W N 1.436 122.929 121.300 0.322 0.000 2.627 467 W HA 0.366 5.028 4.660 0.003 0.000 0.339 467 W C 0.441 177.042 176.519 0.137 0.000 1.058 467 W CA -0.845 56.632 57.345 0.219 0.000 1.223 467 W CB 1.514 31.143 29.460 0.281 0.000 1.389 467 W HN 0.366 nan 8.180 nan 0.000 0.541 468 T N 2.041 116.759 114.554 0.274 0.000 2.861 468 T HA 0.772 5.123 4.350 0.003 0.000 0.287 468 T C -1.249 173.514 174.700 0.105 0.000 1.003 468 T CA -0.656 61.543 62.100 0.164 0.000 0.977 468 T CB 0.732 69.670 68.868 0.117 0.000 0.996 468 T HN 0.311 nan 8.240 nan 0.000 0.448 469 L N 3.799 125.091 121.223 0.114 0.000 2.305 469 L HA 0.601 4.942 4.340 0.003 0.000 0.284 469 L C 0.357 177.272 176.870 0.074 0.000 1.013 469 L CA -0.908 53.957 54.840 0.041 0.000 0.819 469 L CB 1.674 43.800 42.059 0.111 0.000 1.227 469 L HN 0.635 nan 8.230 nan 0.000 0.417 470 R N 3.067 123.513 120.500 -0.090 0.000 2.343 470 R HA 0.544 4.886 4.340 0.003 0.000 0.320 470 R C -1.252 174.934 176.300 -0.191 0.000 0.956 470 R CA -0.408 55.688 56.100 -0.006 0.000 0.836 470 R CB 1.011 31.308 30.300 -0.004 0.000 1.151 470 R HN 0.321 nan 8.270 nan 0.000 0.450 471 F N 4.616 124.538 119.950 -0.047 0.000 2.457 471 F HA 0.503 5.031 4.527 0.003 0.000 0.330 471 F C -1.569 174.133 175.800 -0.164 0.000 1.069 471 F CA -2.381 55.477 58.000 -0.238 0.000 1.009 471 F CB 1.112 39.888 39.000 -0.373 0.000 1.276 471 F HN 0.444 nan 8.300 nan 0.000 0.492 472 P HA -0.031 nan 4.420 nan 0.000 0.271 472 P C -1.059 176.352 177.300 0.184 0.000 1.233 472 P CA 0.014 63.149 63.100 0.058 0.000 0.789 472 P CB 0.217 31.944 31.700 0.045 0.000 0.951 473 H N 1.848 120.978 119.070 0.099 0.000 2.964 473 H HA -0.026 4.531 4.556 0.003 0.000 0.328 473 H C 0.745 176.144 175.328 0.119 0.000 1.030 473 H CA 1.428 57.538 56.048 0.103 0.000 1.445 473 H CB -0.569 29.234 29.762 0.069 0.000 1.449 473 H HN 0.469 nan 8.280 nan 0.000 0.581 474 D N 2.324 122.492 120.400 -0.386 0.000 3.079 474 D HA -0.261 4.381 4.640 0.003 0.000 0.214 474 D C 0.784 177.046 176.300 -0.064 0.000 1.145 474 D CA 0.997 54.851 54.000 -0.243 0.000 0.958 474 D CB -1.262 39.416 40.800 -0.203 0.000 1.117 474 D HN 0.742 nan 8.370 nan 0.000 0.416 475 W N 0.203 121.376 121.300 -0.213 0.000 2.379 475 W HA -0.087 4.574 4.660 0.003 0.000 0.307 475 W C 2.031 178.330 176.519 -0.367 0.000 1.200 475 W CA 1.448 58.603 57.345 -0.316 0.000 1.297 475 W CB -0.705 28.499 29.460 -0.426 0.000 1.140 475 W HN 0.069 nan 8.180 nan 0.000 0.507 476 F N 0.805 120.731 119.950 -0.040 0.000 2.451 476 F HA -0.126 4.402 4.527 0.003 0.000 0.299 476 F C 2.778 178.445 175.800 -0.221 0.000 1.101 476 F CA 1.365 59.246 58.000 -0.199 0.000 1.436 476 F CB -1.371 37.560 39.000 -0.115 0.000 1.074 476 F HN -0.070 nan 8.300 nan 0.000 0.553 477 S N -0.605 115.064 115.700 -0.051 0.000 2.442 477 S HA -0.227 4.245 4.470 0.003 0.000 0.236 477 S C 1.779 176.298 174.600 -0.135 0.000 1.007 477 S CA 1.256 59.411 58.200 -0.075 0.000 0.965 477 S CB -0.229 62.930 63.200 -0.070 0.000 0.773 477 S HN 0.381 nan 8.310 nan 0.000 0.504 478 Q N 0.941 120.592 119.800 -0.249 0.000 2.217 478 Q HA 0.379 4.720 4.340 0.003 0.000 0.217 478 Q C -0.474 175.293 176.000 -0.388 0.000 0.844 478 Q CA 0.109 55.738 55.803 -0.290 0.000 0.957 478 Q CB 0.519 29.070 28.738 -0.310 0.000 1.127 478 Q HN 0.554 nan 8.270 nan 0.000 0.503 479 N N -0.467 117.963 118.700 -0.450 0.000 2.672 479 N HA 0.235 4.977 4.740 0.003 0.000 0.295 479 N C -0.306 175.121 175.510 -0.140 0.000 1.924 479 N CA 0.384 53.160 53.050 -0.456 0.000 0.851 479 N CB 1.437 39.237 38.487 -1.144 0.000 1.281 479 N HN 0.097 nan 8.380 nan 0.000 0.494 480 A N 0.289 123.054 122.820 -0.091 0.000 1.969 480 A HA -0.012 4.310 4.320 0.003 0.000 0.218 480 A C 2.103 179.668 177.584 -0.031 0.000 1.169 480 A CA 0.859 52.873 52.037 -0.038 0.000 0.635 480 A CB -0.180 18.789 19.000 -0.052 0.000 0.810 480 A HN 0.353 nan 8.150 nan 0.000 0.445 481 L N -0.462 120.745 121.223 -0.027 0.000 2.056 481 L HA -0.148 4.194 4.340 0.003 0.000 0.207 481 L C 2.482 179.364 176.870 0.019 0.000 1.078 481 L CA 1.014 55.850 54.840 -0.007 0.000 0.749 481 L CB -0.738 41.322 42.059 0.001 0.000 0.901 481 L HN 0.235 nan 8.230 nan 0.000 0.433 482 V N 0.161 120.112 119.914 0.061 0.000 2.332 482 V HA -0.307 3.815 4.120 0.003 0.000 0.248 482 V C 2.447 178.583 176.094 0.069 0.000 1.055 482 V CA 1.802 64.189 62.300 0.145 0.000 1.038 482 V CB -0.556 31.449 31.823 0.304 0.000 0.651 482 V HN 0.337 nan 8.190 nan 0.000 0.450 483 L N -0.297 120.905 121.223 -0.034 0.000 2.046 483 L HA -0.129 4.213 4.340 0.003 0.000 0.208 483 L C 2.204 178.940 176.870 -0.222 0.000 1.077 483 L CA 1.776 56.391 54.840 -0.376 0.000 0.747 483 L CB -0.610 41.087 42.059 -0.603 0.000 0.896 483 L HN 0.207 nan 8.230 nan 0.000 0.432 484 L N -0.586 120.564 121.223 -0.121 0.000 2.012 484 L HA -0.251 4.091 4.340 0.003 0.000 0.210 484 L C 2.328 179.165 176.870 -0.054 0.000 1.073 484 L CA 1.499 56.289 54.840 -0.084 0.000 0.748 484 L CB -0.950 41.078 42.059 -0.051 0.000 0.891 484 L HN 0.299 nan 8.230 nan 0.000 0.431 485 D N -0.050 120.341 120.400 -0.014 0.000 2.104 485 D HA -0.187 4.455 4.640 0.003 0.000 0.194 485 D C 2.204 178.510 176.300 0.010 0.000 0.994 485 D CA 1.129 55.145 54.000 0.028 0.000 0.830 485 D CB -0.211 40.633 40.800 0.073 0.000 0.959 485 D HN 0.088 nan 8.370 nan 0.000 0.452 486 L N 1.252 122.458 121.223 -0.029 0.000 2.042 486 L HA -0.145 4.197 4.340 0.003 0.000 0.210 486 L C 2.212 179.011 176.870 -0.118 0.000 1.076 486 L CA 1.481 56.279 54.840 -0.071 0.000 0.749 486 L CB -0.983 41.004 42.059 -0.121 0.000 0.893 486 L HN 0.103 nan 8.230 nan 0.000 0.432 487 E N -0.806 119.314 120.200 -0.132 0.000 2.047 487 E HA -0.258 4.094 4.350 0.003 0.000 0.191 487 E C 2.165 178.700 176.600 -0.109 0.000 0.987 487 E CA 1.128 57.449 56.400 -0.130 0.000 0.799 487 E CB -0.071 29.549 29.700 -0.134 0.000 0.752 487 E HN 0.342 nan 8.360 nan 0.000 0.449 488 K N 1.085 121.432 120.400 -0.089 0.000 2.063 488 K HA -0.272 4.049 4.320 0.003 0.000 0.208 488 K C 2.122 178.683 176.600 -0.065 0.000 1.048 488 K CA 1.732 57.950 56.287 -0.113 0.000 0.928 488 K CB 0.043 32.512 32.500 -0.050 0.000 0.713 488 K HN -0.086 nan 8.250 nan 0.000 0.442 489 E N 0.750 120.981 120.200 0.053 0.000 2.077 489 E HA -0.201 4.151 4.350 0.003 0.000 0.193 489 E C 1.922 178.504 176.600 -0.030 0.000 0.989 489 E CA 1.600 58.087 56.400 0.145 0.000 0.800 489 E CB -0.050 29.665 29.700 0.024 0.000 0.746 489 E HN 0.346 nan 8.360 nan 0.000 0.452 490 Q N 0.115 119.812 119.800 -0.171 0.000 2.096 490 Q HA -0.262 4.079 4.340 0.003 0.000 0.208 490 Q C 2.156 178.170 176.000 0.024 0.000 0.993 490 Q CA 2.153 57.875 55.803 -0.134 0.000 0.862 490 Q CB -0.271 28.394 28.738 -0.122 0.000 0.915 490 Q HN 0.507 nan 8.270 nan 0.000 0.416 491 E N -0.302 119.879 120.200 -0.031 0.000 2.077 491 E HA -0.210 4.141 4.350 0.003 0.000 0.193 491 E C 1.859 178.487 176.600 0.048 0.000 0.989 491 E CA 1.148 57.521 56.400 -0.046 0.000 0.800 491 E CB -0.311 29.281 29.700 -0.181 0.000 0.746 491 E HN 0.419 nan 8.360 nan 0.000 0.452 492 Y N -0.161 120.227 120.300 0.147 0.000 2.207 492 Y HA -0.212 4.339 4.550 0.002 0.000 0.287 492 Y C 1.974 178.061 175.900 0.312 0.000 1.156 492 Y CA 0.917 59.140 58.100 0.205 0.000 1.182 492 Y CB -0.594 38.017 38.460 0.251 0.000 0.979 492 Y HN 0.170 nan 8.280 nan 0.000 0.521 493 W N 0.287 121.734 121.300 0.246 0.000 2.467 493 W HA -0.048 4.614 4.660 0.004 0.000 0.275 493 W C 2.051 178.656 176.519 0.142 0.000 1.239 493 W CA 0.550 58.045 57.345 0.251 0.000 1.266 493 W CB -0.608 29.030 29.460 0.296 0.000 1.112 493 W HN 0.023 nan 8.180 nan 0.000 0.576 494 E N -0.594 119.791 120.200 0.308 0.000 2.204 494 E HA -0.115 4.237 4.350 0.003 0.000 0.195 494 E C 2.357 179.015 176.600 0.098 0.000 0.990 494 E CA 1.435 57.937 56.400 0.170 0.000 0.821 494 E CB -0.872 28.891 29.700 0.105 0.000 0.750 494 E HN 0.352 nan 8.360 nan 0.000 0.477 495 G N 0.673 109.525 108.800 0.087 0.000 2.534 495 G HA2 -0.050 3.912 3.960 0.003 0.000 0.217 495 G HA3 -0.050 3.912 3.960 0.003 0.000 0.217 495 G C 0.715 175.557 174.900 -0.096 0.000 1.128 495 G CA 0.167 45.273 45.100 0.011 0.000 0.784 495 G HN 0.070 nan 8.290 nan 0.000 0.542 496 V N 1.256 121.072 119.914 -0.164 0.000 2.347 496 V HA 0.657 4.778 4.120 0.003 0.000 0.280 496 V C 0.595 176.507 176.094 -0.304 0.000 1.021 496 V CA -1.445 60.585 62.300 -0.449 0.000 0.847 496 V CB 0.842 31.992 31.823 -1.121 0.000 0.990 496 V HN 0.348 nan 8.190 nan 0.000 0.444 497 A N 3.997 126.668 122.820 -0.248 0.000 2.566 497 A HA 0.463 4.784 4.320 0.003 0.000 0.245 497 A C 1.649 179.214 177.584 -0.032 0.000 1.056 497 A CA 0.921 52.897 52.037 -0.102 0.000 0.757 497 A CB -0.635 18.309 19.000 -0.092 0.000 0.979 497 A HN 2.217 nan 8.150 nan 0.000 0.508 498 G N 1.422 110.271 108.800 0.082 0.000 2.304 498 G HA2 -0.257 3.705 3.960 0.003 0.000 0.252 498 G HA3 -0.257 3.705 3.960 0.003 0.000 0.252 498 G C 0.005 175.018 174.900 0.187 0.000 1.014 498 G CA 0.427 45.586 45.100 0.099 0.000 0.619 498 G HN 0.839 nan 8.290 nan 0.000 0.525 499 W N 1.524 122.762 121.300 -0.103 0.000 2.304 499 W HA 0.789 5.451 4.660 0.004 0.000 0.313 499 W C 0.880 177.558 176.519 0.265 0.000 1.323 499 W CA -0.692 56.590 57.345 -0.106 0.000 1.223 499 W CB 0.474 29.686 29.460 -0.414 0.000 1.237 499 W HN 0.337 nan 8.180 nan 0.000 0.535 500 R N 3.143 124.053 120.500 0.682 0.000 2.584 500 R HA 0.586 4.928 4.340 0.003 0.000 0.276 500 R C -2.076 174.564 176.300 0.567 0.000 1.046 500 R CA -1.003 55.457 56.100 0.600 0.000 0.906 500 R CB 1.503 32.062 30.300 0.431 0.000 1.215 500 R HN 0.446 nan 8.270 nan 0.000 0.449 501 L N 3.666 125.039 121.223 0.249 0.000 2.325 501 L HA 0.534 4.875 4.340 0.003 0.000 0.281 501 L C -1.276 175.578 176.870 -0.026 0.000 1.004 501 L CA -0.143 54.639 54.840 -0.097 0.000 0.823 501 L CB 1.454 43.033 42.059 -0.799 0.000 1.236 501 L HN 0.562 nan 8.230 nan 0.000 0.415 502 K N 5.429 125.855 120.400 0.044 0.000 2.221 502 K HA 0.621 4.942 4.320 0.003 0.000 0.258 502 K C -1.288 175.351 176.600 0.065 0.000 0.944 502 K CA -0.738 55.575 56.287 0.044 0.000 0.823 502 K CB 2.240 34.782 32.500 0.069 0.000 1.113 502 K HN 0.397 nan 8.250 nan 0.000 0.431 503 I N 2.126 122.730 120.570 0.057 0.000 2.441 503 I HA 0.263 4.435 4.170 0.003 0.000 0.295 503 I C -0.381 175.836 176.117 0.168 0.000 0.994 503 I CA -0.201 61.181 61.300 0.137 0.000 1.144 503 I CB 1.771 39.790 38.000 0.031 0.000 1.314 503 I HN 0.559 nan 8.210 nan 0.000 0.445 504 E N 4.062 124.437 120.200 0.292 0.000 2.408 504 E HA 0.513 4.864 4.350 0.003 0.000 0.275 504 E C -1.281 175.533 176.600 0.356 0.000 0.935 504 E CA -0.907 55.643 56.400 0.250 0.000 0.775 504 E CB 2.414 32.211 29.700 0.161 0.000 1.277 504 E HN 0.475 nan 8.360 nan 0.000 0.455 505 E N 0.875 121.241 120.200 0.277 0.000 2.222 505 E HA 0.289 4.641 4.350 0.003 0.000 0.267 505 E C -0.734 175.982 176.600 0.193 0.000 0.963 505 E CA -0.538 56.017 56.400 0.258 0.000 0.837 505 E CB 1.954 31.789 29.700 0.226 0.000 1.183 505 E HN 0.324 nan 8.360 nan 0.000 0.403 506 E N 0.000 120.310 120.200 0.183 0.000 2.725 506 E HA 0.000 4.352 4.350 0.003 0.000 0.291 506 E CA 0.000 56.492 56.400 0.153 0.000 0.976 506 E CB 0.000 29.754 29.700 0.091 0.000 0.812 506 E HN 0.000 nan 8.360 nan 0.000 0.440