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 1lco_1_A DATA FIRST_RESID 10 DATA SEQUENCE KISPAEVAKH NKPDDCWVVI NGYVYDLTRF LPNHPGGQDV IKFNAGKDVT DATA SEQUENCE AIFEPLHAPN VIDKYIAPEK KLGPLQGSMP PELVCPPYAP GETKEDIARK DATA SEQUENCE EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAFYSSGAN DEVTHRENHN DATA SEQUENCE AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATAL CKLGNPLEGE DATA SEQUENCE KDVARGCGQG VTKVPQMIST LASCSPEEII EAAPSDKQIQ WYQLYVNSDR DATA SEQUENCE KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKFSX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XALSKFIDPS LTWKDIEELK KKTKLPIVIK GVQRTEDVIK DATA SEQUENCE AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN LKDKLEVFVD DATA SEQUENCE GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK AIEILRDEIE DATA SEQUENCE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV YEGPTLTEFE DATA SEQUENCE DA 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 10 K HA 0.000 nan 4.320 nan 0.000 0.191 10 K C 0.000 176.561 176.600 -0.065 0.000 0.988 10 K CA 0.000 56.255 56.287 -0.053 0.000 0.838 10 K CB 0.000 32.485 32.500 -0.026 0.000 1.064 11 I N 2.110 122.638 120.570 -0.070 0.000 2.571 11 I HA 0.210 nan 4.170 nan 0.000 0.286 11 I C -1.066 175.047 176.117 -0.005 0.000 1.134 11 I CA -0.606 60.669 61.300 -0.042 0.000 1.052 11 I CB 4.088 42.011 38.000 -0.128 0.000 1.237 11 I HN 0.475 8.639 8.210 -0.075 0.000 0.435 12 S N 8.661 124.381 115.700 0.034 0.000 2.546 12 S HA -0.045 nan 4.470 nan 0.000 0.290 12 S C -0.263 174.376 174.600 0.065 0.000 1.262 12 S CA -0.909 57.315 58.200 0.041 0.000 1.083 12 S CB 0.040 63.267 63.200 0.044 0.000 0.859 12 S HN 0.364 8.701 8.310 0.045 0.000 0.495 13 P HA -0.190 nan 4.420 nan 0.000 0.216 13 P C 0.509 177.856 177.300 0.079 0.000 1.150 13 P CA 2.635 65.767 63.100 0.053 0.000 0.843 13 P CB 0.122 31.839 31.700 0.029 0.000 0.787 14 A N -3.986 118.875 122.820 0.068 0.000 2.067 14 A HA -0.059 nan 4.320 nan 0.000 0.217 14 A C 2.156 179.797 177.584 0.095 0.000 1.156 14 A CA 2.556 54.635 52.037 0.070 0.000 0.683 14 A CB -0.874 18.153 19.000 0.044 0.000 0.808 14 A HN 0.226 8.408 8.150 0.053 0.000 0.455 15 E N -0.256 120.013 120.200 0.116 0.000 2.106 15 E HA -0.269 nan 4.350 nan 0.000 0.192 15 E C 1.884 178.654 176.600 0.284 0.000 0.984 15 E CA 2.519 59.010 56.400 0.150 0.000 0.806 15 E CB -0.463 29.325 29.700 0.147 0.000 0.750 15 E HN -0.392 7.899 8.360 0.106 0.132 0.458 16 V N 0.757 120.871 119.914 0.333 0.000 2.214 16 V HA -0.462 nan 4.120 nan 0.000 0.245 16 V C 2.227 178.544 176.094 0.372 0.000 1.047 16 V CA 4.514 67.103 62.300 0.481 0.000 0.998 16 V CB -0.982 30.989 31.823 0.248 0.000 0.633 16 V HN -0.282 8.055 8.190 0.246 0.000 0.446 17 A N -2.165 120.791 122.820 0.226 0.000 1.997 17 A HA -0.451 nan 4.320 nan 0.000 0.221 17 A C 1.334 179.012 177.584 0.157 0.000 1.172 17 A CA 3.052 55.189 52.037 0.166 0.000 0.645 17 A CB -0.786 18.277 19.000 0.104 0.000 0.813 17 A HN -0.244 8.015 8.150 0.181 0.000 0.454 18 K N -3.641 116.848 120.400 0.149 0.000 2.127 18 K HA -0.388 nan 4.320 nan 0.000 0.212 18 K C 2.290 178.874 176.600 -0.027 0.000 1.050 18 K CA 2.650 58.942 56.287 0.009 0.000 0.929 18 K CB 0.028 32.425 32.500 -0.172 0.000 0.715 18 K HN -0.561 7.774 8.250 0.155 0.008 0.457 19 H N -2.446 116.549 119.070 -0.124 0.000 2.588 19 H HA 0.256 nan 4.556 nan 0.000 0.223 19 H C -1.868 173.462 175.328 0.003 0.000 1.804 19 H CA -3.310 52.653 56.048 -0.141 0.000 1.269 19 H CB -3.019 26.513 29.762 -0.384 0.000 1.670 19 H HN -0.273 8.208 8.280 0.432 0.059 0.539 20 N N 0.170 118.942 118.700 0.119 0.000 3.228 20 N HA 0.046 nan 4.740 nan 0.000 0.289 20 N C -0.654 174.906 175.510 0.083 0.000 1.419 20 N CA -0.938 52.178 53.050 0.110 0.000 1.088 20 N CB -0.210 38.331 38.487 0.089 0.000 1.357 20 N HN -0.441 7.911 8.380 0.073 0.071 0.504 21 K N 1.449 121.902 120.400 0.088 0.000 2.464 21 K HA 0.336 nan 4.320 nan 0.000 0.253 21 K C -2.487 174.160 176.600 0.079 0.000 0.933 21 K CA -3.390 52.937 56.287 0.067 0.000 0.801 21 K CB 3.369 35.892 32.500 0.039 0.000 1.271 21 K HN -0.631 7.650 8.250 0.110 0.035 0.430 22 P HA -0.223 nan 4.420 nan 0.000 0.257 22 P C -1.444 175.891 177.300 0.058 0.000 1.189 22 P CA 1.090 64.232 63.100 0.071 0.000 0.780 22 P CB -0.573 31.170 31.700 0.070 0.000 0.772 23 D N 5.237 125.676 120.400 0.065 0.000 8.956 23 D HA -0.363 nan 4.640 nan 0.000 0.275 23 D C -1.837 174.504 176.300 0.068 0.000 2.495 23 D CA 0.509 54.546 54.000 0.063 0.000 2.321 23 D CB 0.114 40.940 40.800 0.044 0.000 0.956 23 D HN -0.162 8.251 8.370 0.072 0.000 0.669 24 D N -1.934 118.520 120.400 0.090 0.000 3.187 24 D HA -0.384 nan 4.640 nan 0.000 0.244 24 D C -1.129 175.244 176.300 0.122 0.000 1.114 24 D CA 1.245 55.304 54.000 0.099 0.000 0.920 24 D CB -1.159 39.669 40.800 0.046 0.000 0.970 24 D HN 0.165 8.595 8.370 0.100 0.000 0.418 25 C N 0.130 119.535 119.300 0.175 0.000 2.298 25 C HA 0.649 nan 4.460 nan 0.000 0.323 25 C C -1.306 173.885 174.990 0.336 0.000 1.284 25 C CA -2.063 57.080 59.018 0.209 0.000 1.577 25 C CB 1.170 29.012 27.740 0.171 0.000 2.249 25 C HN 0.004 8.346 8.230 0.185 0.000 0.497 26 W N 8.241 129.550 121.300 0.016 0.000 2.570 26 W HA 0.661 nan 4.660 nan 0.000 0.337 26 W C -2.102 174.407 176.519 -0.017 0.000 1.067 26 W CA -2.411 54.891 57.345 -0.072 0.000 1.229 26 W CB 3.053 32.351 29.460 -0.271 0.000 1.355 26 W HN 0.385 8.767 8.180 0.337 0.000 0.555 27 V N 0.815 120.781 119.914 0.087 0.000 3.178 27 V HA 0.650 nan 4.120 nan 0.000 0.302 27 V C -2.610 173.485 176.094 0.001 0.000 1.262 27 V CA -1.081 61.260 62.300 0.068 0.000 1.030 27 V CB 4.687 36.562 31.823 0.087 0.000 1.074 27 V HN 0.047 8.210 8.190 -0.044 0.000 0.438 28 V N 3.993 123.912 119.914 0.008 0.000 2.448 28 V HA 0.820 nan 4.120 nan 0.000 0.295 28 V C -1.175 174.928 176.094 0.015 0.000 1.025 28 V CA -1.843 60.444 62.300 -0.022 0.000 0.859 28 V CB 1.036 32.837 31.823 -0.037 0.000 0.988 28 V HN 0.546 8.754 8.190 0.030 0.000 0.431 29 I N 5.382 125.984 120.570 0.054 0.000 2.468 29 I HA 0.213 nan 4.170 nan 0.000 0.284 29 I C -1.058 175.072 176.117 0.022 0.000 1.038 29 I CA -0.904 60.382 61.300 -0.023 0.000 1.083 29 I CB 2.444 40.258 38.000 -0.311 0.000 1.223 29 I HN 0.055 8.326 8.210 0.103 0.000 0.443 30 N N 7.105 125.809 118.700 0.007 0.000 2.725 30 N HA -0.474 nan 4.740 nan 0.000 0.251 30 N C 0.597 176.120 175.510 0.021 0.000 1.031 30 N CA 1.440 54.498 53.050 0.014 0.000 0.720 30 N CB -1.053 37.435 38.487 0.002 0.000 0.930 30 N HN 1.071 9.456 8.380 0.009 0.000 0.543 31 G N -4.055 104.753 108.800 0.014 0.000 2.454 31 G HA2 -0.521 nan 3.960 nan 0.000 0.225 31 G HA3 -0.521 nan 3.960 nan 0.000 0.225 31 G C -1.021 173.887 174.900 0.012 0.000 1.138 31 G CA 0.189 45.295 45.100 0.011 0.000 0.667 31 G HN 0.477 8.770 8.290 0.006 0.000 0.512 32 Y N 3.407 123.591 120.300 -0.194 0.000 2.314 32 Y HA 0.228 nan 4.550 nan 0.000 0.334 32 Y C -1.154 174.380 175.900 -0.611 0.000 1.266 32 Y CA 0.575 58.445 58.100 -0.384 0.000 1.391 32 Y CB 1.278 39.506 38.460 -0.386 0.000 1.306 32 Y HN -0.814 7.463 8.280 0.128 0.080 0.558 33 V N 1.743 121.064 119.914 -0.990 0.000 2.628 33 V HA 0.594 nan 4.120 nan 0.000 0.306 33 V C -1.812 173.491 176.094 -1.319 0.000 1.045 33 V CA -1.368 60.348 62.300 -0.973 0.000 0.905 33 V CB 2.663 33.968 31.823 -0.863 0.000 0.997 33 V HN 0.170 7.548 8.190 -1.353 0.000 0.436 34 Y N 2.457 122.455 120.300 -0.503 0.000 2.524 34 Y HA 0.356 nan 4.550 nan 0.000 0.347 34 Y C -2.159 173.505 175.900 -0.393 0.000 1.005 34 Y CA -2.013 55.851 58.100 -0.394 0.000 1.025 34 Y CB 3.958 42.267 38.460 -0.252 0.000 1.275 34 Y HN 0.645 8.630 8.280 -0.492 0.000 0.460 35 D N 1.333 121.677 120.400 -0.093 0.000 2.396 35 D HA 0.265 nan 4.640 nan 0.000 0.225 35 D C -0.648 175.757 176.300 0.176 0.000 1.121 35 D CA -0.814 53.246 54.000 0.101 0.000 0.853 35 D CB 1.048 41.978 40.800 0.216 0.000 1.043 35 D HN 0.291 8.628 8.370 -0.054 0.000 0.500 36 L N 7.890 129.242 121.223 0.215 0.000 2.956 36 L HA 0.336 nan 4.340 nan 0.000 0.232 36 L C -0.708 176.319 176.870 0.262 0.000 1.291 36 L CA -1.259 53.734 54.840 0.256 0.000 1.122 36 L CB -0.873 41.323 42.059 0.229 0.000 1.461 36 L HN -0.113 8.261 8.230 0.239 0.000 0.470 37 T N 1.456 116.153 114.554 0.238 0.000 3.246 37 T HA 0.259 nan 4.350 nan 0.000 0.231 37 T C 1.232 176.034 174.700 0.170 0.000 0.986 37 T CA 2.703 64.915 62.100 0.185 0.000 1.340 37 T CB 0.510 69.480 68.868 0.170 0.000 1.063 37 T HN -0.524 7.916 8.240 0.239 -0.056 0.427 38 R N 3.084 123.683 120.500 0.165 0.000 2.185 38 R HA -0.325 nan 4.340 nan 0.000 0.247 38 R C 1.201 177.602 176.300 0.168 0.000 1.159 38 R CA 2.549 58.735 56.100 0.143 0.000 0.988 38 R CB -1.012 29.371 30.300 0.139 0.000 0.871 38 R HN 0.248 8.614 8.270 0.161 0.000 0.458 39 F N -1.523 118.484 119.950 0.095 0.000 2.075 39 F HA -0.214 nan 4.527 nan 0.000 0.297 39 F C 1.269 177.131 175.800 0.104 0.000 1.113 39 F CA 1.833 59.898 58.000 0.108 0.000 1.218 39 F CB 0.054 39.122 39.000 0.113 0.000 0.984 39 F HN -0.528 7.951 8.300 0.351 0.032 0.472 40 L N 0.027 121.265 121.223 0.025 0.000 2.058 40 L HA -0.368 nan 4.340 nan 0.000 0.226 40 L C -0.846 175.896 176.870 -0.213 0.000 1.089 40 L CA 5.745 60.527 54.840 -0.095 0.000 0.799 40 L CB -2.111 39.963 42.059 0.025 0.000 0.900 40 L HN -0.289 7.963 8.230 0.191 0.092 0.442 41 P HA -0.105 nan 4.420 nan 0.000 0.233 41 P C 0.696 177.897 177.300 -0.164 0.000 1.167 41 P CA 1.964 64.993 63.100 -0.118 0.000 0.770 41 P CB -0.640 31.025 31.700 -0.058 0.000 0.837 42 N N -2.385 116.148 118.700 -0.278 0.000 2.280 42 N HA 0.039 nan 4.740 nan 0.000 0.192 42 N C -0.654 174.664 175.510 -0.319 0.000 1.109 42 N CA -0.408 52.505 53.050 -0.229 0.000 0.855 42 N CB 0.685 39.096 38.487 -0.128 0.000 0.974 42 N HN -0.068 8.021 8.380 -0.392 0.056 0.482 43 H N 4.026 122.732 119.070 -0.606 0.000 3.034 43 H HA 0.044 nan 4.556 nan 0.000 0.324 43 H C -0.177 174.953 175.328 -0.330 0.000 1.015 43 H CA 0.244 55.996 56.048 -0.494 0.000 1.429 43 H CB 1.430 30.973 29.762 -0.366 0.000 1.429 43 H HN -0.870 7.085 8.280 -0.417 0.074 0.585 44 P HA -0.170 nan 4.420 nan 0.000 0.215 44 P C 0.077 177.088 177.300 -0.482 0.000 1.163 44 P CA 2.389 65.024 63.100 -0.775 0.000 0.894 44 P CB -0.153 31.001 31.700 -0.911 0.000 0.791 45 G N -6.178 102.343 108.800 -0.466 0.000 2.679 45 G HA2 -0.082 nan 3.960 nan 0.000 0.212 45 G HA3 -0.082 nan 3.960 nan 0.000 0.212 45 G C -0.681 174.215 174.900 -0.007 0.000 1.137 45 G CA -0.636 44.397 45.100 -0.113 0.000 0.787 45 G HN -0.108 7.620 8.290 -0.938 0.000 0.534 46 G N -0.824 107.998 108.800 0.037 0.000 2.911 46 G HA2 -0.166 nan 3.960 nan 0.000 0.686 46 G HA3 -0.166 nan 3.960 nan 0.000 0.686 46 G C 0.888 175.795 174.900 0.011 0.000 1.136 46 G CA -0.853 44.246 45.100 -0.003 0.000 0.764 46 G HN -0.660 7.416 8.290 -0.038 0.190 0.626 47 Q N 2.956 122.721 119.800 -0.059 0.000 2.376 47 Q HA -0.446 nan 4.340 nan 0.000 0.211 47 Q C 1.153 177.047 176.000 -0.177 0.000 0.986 47 Q CA 2.545 58.280 55.803 -0.114 0.000 0.886 47 Q CB -0.195 28.492 28.738 -0.085 0.000 0.927 47 Q HN 0.647 8.881 8.270 -0.061 0.000 0.457 48 D N -0.118 120.145 120.400 -0.228 0.000 2.127 48 D HA -0.393 nan 4.640 nan 0.000 0.190 48 D C 1.601 177.543 176.300 -0.596 0.000 1.000 48 D CA 3.735 57.462 54.000 -0.455 0.000 0.839 48 D CB -0.255 40.264 40.800 -0.468 0.000 0.955 48 D HN -0.076 8.108 8.370 -0.174 0.081 0.446 49 V N -1.678 117.979 119.914 -0.428 0.000 2.287 49 V HA -0.400 nan 4.120 nan 0.000 0.248 49 V C 2.062 178.036 176.094 -0.200 0.000 1.053 49 V CA 3.858 65.960 62.300 -0.330 0.000 1.027 49 V CB -0.620 30.982 31.823 -0.369 0.000 0.646 49 V HN -0.622 7.361 8.190 -0.346 0.000 0.447 50 I N -2.186 118.252 120.570 -0.219 0.000 2.286 50 I HA -0.492 nan 4.170 nan 0.000 0.245 50 I C 1.069 177.186 176.117 -0.000 0.000 1.104 50 I CA 2.942 64.184 61.300 -0.098 0.000 1.397 50 I CB -0.314 37.627 38.000 -0.098 0.000 1.072 50 I HN -0.721 7.312 8.210 -0.295 0.000 0.417 51 K N -1.969 118.426 120.400 -0.009 0.000 1.987 51 K HA -0.338 nan 4.320 nan 0.000 0.216 51 K C 2.868 179.609 176.600 0.236 0.000 1.051 51 K CA 3.064 59.411 56.287 0.099 0.000 0.942 51 K CB 0.176 32.729 32.500 0.088 0.000 0.722 51 K HN -0.392 7.804 8.250 -0.091 0.000 0.444 52 F N -1.885 118.084 119.950 0.031 0.000 2.063 52 F HA -0.351 nan 4.527 nan 0.000 0.298 52 F C 1.696 177.522 175.800 0.043 0.000 1.109 52 F CA 1.623 59.649 58.000 0.043 0.000 1.212 52 F CB -0.606 38.428 39.000 0.055 0.000 0.973 52 F HN 0.040 8.490 8.300 0.250 0.000 0.480 53 N N -3.260 115.580 118.700 0.234 0.000 2.378 53 N HA 0.004 nan 4.740 nan 0.000 0.243 53 N C -1.532 174.047 175.510 0.115 0.000 1.137 53 N CA -0.621 52.516 53.050 0.145 0.000 0.862 53 N CB -0.718 37.837 38.487 0.113 0.000 1.116 53 N HN -0.686 7.823 8.380 0.214 0.000 0.499 54 A N -1.630 121.265 122.820 0.124 0.000 2.313 54 A HA 0.374 nan 4.320 nan 0.000 0.261 54 A C 0.855 178.511 177.584 0.119 0.000 1.090 54 A CA -0.019 52.089 52.037 0.118 0.000 0.807 54 A CB 0.496 19.570 19.000 0.125 0.000 1.055 54 A HN -0.148 7.935 8.150 0.145 0.153 0.492 55 G N -2.140 106.742 108.800 0.138 0.000 2.168 55 G HA2 -0.466 nan 3.960 nan 0.000 0.257 55 G HA3 -0.466 nan 3.960 nan 0.000 0.257 55 G C -1.230 173.738 174.900 0.114 0.000 0.997 55 G CA 1.139 46.328 45.100 0.148 0.000 0.708 55 G HN 0.316 8.696 8.290 0.150 0.000 0.520 56 K N -1.661 118.796 120.400 0.095 0.000 2.208 56 K HA 0.519 nan 4.320 nan 0.000 0.241 56 K C -2.403 174.234 176.600 0.062 0.000 1.087 56 K CA -2.423 53.910 56.287 0.076 0.000 0.883 56 K CB 2.885 35.429 32.500 0.074 0.000 1.360 56 K HN -0.793 7.472 8.250 0.097 0.043 0.496 57 D N -0.182 120.249 120.400 0.052 0.000 2.380 57 D HA 0.212 nan 4.640 nan 0.000 0.230 57 D C -0.505 175.829 176.300 0.056 0.000 1.154 57 D CA 0.576 54.602 54.000 0.042 0.000 0.859 57 D CB 1.209 42.030 40.800 0.036 0.000 1.045 57 D HN 0.241 8.643 8.370 0.054 0.000 0.495 58 V N 7.169 127.118 119.914 0.057 0.000 3.499 58 V HA 0.205 nan 4.120 nan 0.000 0.308 58 V C 0.628 176.782 176.094 0.101 0.000 1.319 58 V CA -0.515 61.831 62.300 0.076 0.000 1.194 58 V CB -0.231 31.635 31.823 0.072 0.000 1.072 58 V HN 0.281 8.498 8.190 0.045 0.000 0.426 59 T N 3.322 117.926 114.554 0.083 0.000 2.803 59 T HA -0.354 nan 4.350 nan 0.000 0.269 59 T C 0.831 175.616 174.700 0.141 0.000 1.052 59 T CA 5.019 67.183 62.100 0.107 0.000 1.136 59 T CB -0.748 68.159 68.868 0.066 0.000 0.864 59 T HN -0.437 7.956 8.240 0.063 -0.115 0.467 60 A N 0.480 123.368 122.820 0.113 0.000 2.014 60 A HA -0.067 nan 4.320 nan 0.000 0.218 60 A C 1.744 179.404 177.584 0.126 0.000 1.163 60 A CA 2.688 54.791 52.037 0.111 0.000 0.652 60 A CB -0.980 18.076 19.000 0.093 0.000 0.808 60 A HN -0.018 8.190 8.150 0.097 0.000 0.449 61 I N -1.989 118.659 120.570 0.130 0.000 2.233 61 I HA -0.300 nan 4.170 nan 0.000 0.243 61 I C 1.446 177.644 176.117 0.136 0.000 1.093 61 I CA 1.554 62.915 61.300 0.102 0.000 1.380 61 I CB -0.990 37.032 38.000 0.036 0.000 1.067 61 I HN -0.480 7.783 8.210 0.128 0.024 0.413 62 F N 0.198 120.181 119.950 0.053 0.000 2.009 62 F HA -0.403 nan 4.527 nan 0.000 0.293 62 F C 2.130 178.016 175.800 0.143 0.000 1.156 62 F CA 3.723 61.747 58.000 0.041 0.000 1.168 62 F CB 0.525 39.439 39.000 -0.143 0.000 0.981 62 F HN -0.504 7.887 8.300 0.280 0.078 0.475 63 E N -0.460 119.956 120.200 0.359 0.000 2.113 63 E HA -0.261 nan 4.350 nan 0.000 0.210 63 E C -0.346 176.328 176.600 0.122 0.000 1.040 63 E CA 4.459 61.009 56.400 0.249 0.000 0.847 63 E CB -1.522 28.287 29.700 0.183 0.000 0.755 63 E HN -0.220 8.362 8.360 0.371 0.000 0.459 64 P HA 0.004 nan 4.420 nan 0.000 0.258 64 P C -1.225 176.070 177.300 -0.009 0.000 1.559 64 P CA 0.708 63.832 63.100 0.041 0.000 0.855 64 P CB -0.937 30.791 31.700 0.046 0.000 1.594 65 L N -4.247 116.948 121.223 -0.046 0.000 4.368 65 L HA 0.079 nan 4.340 nan 0.000 0.430 65 L C -1.608 175.038 176.870 -0.373 0.000 1.098 65 L CA 0.463 55.185 54.840 -0.197 0.000 1.557 65 L CB 2.240 44.140 42.059 -0.266 0.000 1.638 65 L HN -0.479 7.660 8.230 -0.002 0.089 0.622 66 H N -1.107 117.786 119.070 -0.294 0.000 2.637 66 H HA 0.235 nan 4.556 nan 0.000 0.363 66 H C -1.238 174.034 175.328 -0.095 0.000 1.131 66 H CA -1.505 54.369 56.048 -0.289 0.000 1.183 66 H CB 2.492 31.868 29.762 -0.644 0.000 1.637 66 H HN -0.929 7.340 8.280 -0.017 0.000 0.531 67 A N 3.513 126.393 122.820 0.100 0.000 2.524 67 A HA 0.124 nan 4.320 nan 0.000 0.250 67 A C -0.089 177.577 177.584 0.138 0.000 1.078 67 A CA -1.770 50.333 52.037 0.110 0.000 0.761 67 A CB -0.486 18.595 19.000 0.134 0.000 1.012 67 A HN 0.571 8.773 8.150 0.086 0.000 0.500 68 P HA -0.273 nan 4.420 nan 0.000 0.216 68 P C 0.756 178.116 177.300 0.101 0.000 1.153 68 P CA 2.227 65.394 63.100 0.111 0.000 0.858 68 P CB -0.299 31.444 31.700 0.071 0.000 0.789 69 N N -3.398 115.349 118.700 0.078 0.000 2.430 69 N HA -0.293 nan 4.740 nan 0.000 0.186 69 N C 2.009 177.555 175.510 0.061 0.000 1.032 69 N CA 1.741 54.819 53.050 0.047 0.000 0.893 69 N CB -0.927 37.578 38.487 0.031 0.000 0.957 69 N HN 0.009 8.414 8.380 0.078 0.021 0.442 70 V N -4.335 115.675 119.914 0.161 0.000 2.343 70 V HA -0.336 nan 4.120 nan 0.000 0.247 70 V C 1.360 177.563 176.094 0.182 0.000 1.051 70 V CA 3.146 65.605 62.300 0.265 0.000 1.036 70 V CB -1.076 31.005 31.823 0.429 0.000 0.654 70 V HN 0.053 8.299 8.190 0.190 0.058 0.451 71 I N 0.281 120.887 120.570 0.060 0.000 2.179 71 I HA -0.569 nan 4.170 nan 0.000 0.242 71 I C 1.586 177.663 176.117 -0.067 0.000 1.088 71 I CA 3.789 65.027 61.300 -0.103 0.000 1.357 71 I CB -0.653 37.161 38.000 -0.309 0.000 1.051 71 I HN -0.470 7.790 8.210 0.083 0.000 0.409 72 D N -2.178 118.190 120.400 -0.053 0.000 2.219 72 D HA -0.267 nan 4.640 nan 0.000 0.205 72 D C 2.350 178.600 176.300 -0.082 0.000 0.970 72 D CA 3.115 57.083 54.000 -0.054 0.000 0.851 72 D CB -0.658 40.110 40.800 -0.052 0.000 0.943 72 D HN 0.186 8.518 8.370 -0.040 0.014 0.488 73 K N -0.957 119.361 120.400 -0.136 0.000 2.262 73 K HA -0.102 nan 4.320 nan 0.000 0.200 73 K C 0.987 177.350 176.600 -0.395 0.000 1.049 73 K CA 2.141 58.233 56.287 -0.325 0.000 0.979 73 K CB 0.658 32.867 32.500 -0.485 0.000 0.773 73 K HN -0.502 7.557 8.250 -0.092 0.136 0.474 74 Y N -5.840 114.483 120.300 0.039 0.000 2.425 74 Y HA 0.081 nan 4.550 nan 0.000 0.261 74 Y C -0.054 175.869 175.900 0.039 0.000 1.084 74 Y CA 0.241 58.376 58.100 0.059 0.000 1.248 74 Y CB 2.320 40.891 38.460 0.185 0.000 1.270 74 Y HN -0.423 7.890 8.280 0.055 0.000 0.524 75 I N 0.721 121.345 120.570 0.091 0.000 2.472 75 I HA -0.047 nan 4.170 nan 0.000 0.290 75 I C -0.671 175.477 176.117 0.050 0.000 1.016 75 I CA -1.553 59.755 61.300 0.012 0.000 1.348 75 I CB 0.534 38.458 38.000 -0.128 0.000 1.417 75 I HN -0.633 7.607 8.210 0.049 0.000 0.521 76 A N 6.677 129.542 122.820 0.074 0.000 2.511 76 A HA 0.125 nan 4.320 nan 0.000 0.242 76 A C -0.095 177.524 177.584 0.059 0.000 1.069 76 A CA -1.618 50.459 52.037 0.066 0.000 0.763 76 A CB -0.467 18.578 19.000 0.076 0.000 1.001 76 A HN 0.199 8.406 8.150 0.094 0.000 0.498 77 P HA -0.226 nan 4.420 nan 0.000 0.216 77 P C 0.635 177.967 177.300 0.054 0.000 1.153 77 P CA 2.467 65.597 63.100 0.051 0.000 0.858 77 P CB -0.180 31.540 31.700 0.033 0.000 0.789 78 E N -2.535 117.691 120.200 0.044 0.000 2.516 78 E HA -0.103 nan 4.350 nan 0.000 0.199 78 E C 1.056 177.675 176.600 0.030 0.000 1.069 78 E CA 1.491 57.911 56.400 0.033 0.000 0.876 78 E CB -1.625 28.095 29.700 0.033 0.000 0.843 78 E HN 0.511 8.897 8.360 0.043 0.000 0.530 79 K N -2.312 118.117 120.400 0.048 0.000 2.379 79 K HA 0.054 nan 4.320 nan 0.000 0.194 79 K C -0.386 176.229 176.600 0.024 0.000 1.031 79 K CA -0.002 56.314 56.287 0.048 0.000 1.037 79 K CB 0.835 33.385 32.500 0.084 0.000 0.824 79 K HN -0.029 8.058 8.250 0.061 0.199 0.516 80 K N 1.570 122.008 120.400 0.063 0.000 2.171 80 K HA 0.059 nan 4.320 nan 0.000 0.274 80 K C -0.834 175.631 176.600 -0.225 0.000 1.110 80 K CA -0.124 56.222 56.287 0.098 0.000 0.952 80 K CB -0.696 31.989 32.500 0.309 0.000 1.309 80 K HN -0.353 7.763 8.250 0.069 0.176 0.414 81 L N 4.287 125.146 121.223 -0.607 0.000 2.375 81 L HA 0.098 nan 4.340 nan 0.000 0.271 81 L C 0.497 176.600 176.870 -1.279 0.000 1.107 81 L CA -1.116 53.276 54.840 -0.747 0.000 0.806 81 L CB 1.371 42.974 42.059 -0.759 0.000 1.146 81 L HN 0.268 8.079 8.230 -0.699 0.000 0.447 82 G N 0.339 108.610 108.800 -0.881 0.000 2.771 82 G HA2 -0.115 nan 3.960 nan 0.000 0.242 82 G HA3 -0.115 nan 3.960 nan 0.000 0.242 82 G C -1.749 172.708 174.900 -0.739 0.000 1.233 82 G CA -1.063 43.559 45.100 -0.797 0.000 0.858 82 G HN 0.092 8.044 8.290 -0.562 0.000 0.591 83 P HA -0.076 nan 4.420 nan 0.000 0.271 83 P C -1.475 175.716 177.300 -0.182 0.000 1.216 83 P CA -0.513 62.461 63.100 -0.210 0.000 0.776 83 P CB 0.952 32.645 31.700 -0.011 0.000 0.881 84 L N 1.921 123.048 121.223 -0.161 0.000 2.462 84 L HA -0.137 nan 4.340 nan 0.000 0.272 84 L C -0.612 176.225 176.870 -0.056 0.000 1.166 84 L CA 0.231 55.006 54.840 -0.108 0.000 0.880 84 L CB 0.573 42.578 42.059 -0.090 0.000 1.142 84 L HN 0.228 8.359 8.230 -0.165 0.000 0.473 85 Q N 5.931 125.709 119.800 -0.037 0.000 2.301 85 Q HA -0.228 nan 4.340 nan 0.000 0.262 85 Q C 1.026 177.021 176.000 -0.009 0.000 1.168 85 Q CA 0.809 56.601 55.803 -0.018 0.000 0.908 85 Q CB -0.897 27.836 28.738 -0.008 0.000 1.348 85 Q HN 0.349 8.598 8.270 -0.036 0.000 0.441 86 G N 7.233 116.028 108.800 -0.008 0.000 4.026 86 G HA2 -0.428 nan 3.960 nan 0.000 0.309 86 G HA3 -0.428 nan 3.960 nan 0.000 0.309 86 G C -0.807 174.092 174.900 -0.001 0.000 1.411 86 G CA 0.624 45.723 45.100 -0.002 0.000 1.037 86 G HN 0.234 8.517 8.290 -0.011 0.000 0.687 87 S N 0.309 116.011 115.700 0.003 0.000 2.757 87 S HA 0.254 nan 4.470 nan 0.000 0.285 87 S C -1.852 172.755 174.600 0.012 0.000 1.196 87 S CA -0.877 57.326 58.200 0.006 0.000 0.856 87 S CB 2.069 65.275 63.200 0.010 0.000 1.212 87 S HN -0.175 8.112 8.310 0.004 0.025 0.516 88 M N 2.172 121.783 119.600 0.017 0.000 2.294 88 M HA 0.357 nan 4.480 nan 0.000 0.335 88 M C -2.366 173.949 176.300 0.026 0.000 1.079 88 M CA -2.742 52.572 55.300 0.025 0.000 0.982 88 M CB 0.272 32.889 32.600 0.029 0.000 1.651 88 M HN -0.028 8.272 8.290 0.017 0.000 0.437 89 P HA 0.200 nan 4.420 nan 0.000 0.262 89 P C -1.348 175.968 177.300 0.026 0.000 1.199 89 P CA -0.768 62.347 63.100 0.025 0.000 0.763 89 P CB -0.354 31.361 31.700 0.025 0.000 0.790 90 P HA -0.367 nan 4.420 nan 0.000 0.225 90 P C 1.480 178.797 177.300 0.028 0.000 1.154 90 P CA 2.767 65.882 63.100 0.024 0.000 0.885 90 P CB 0.074 31.786 31.700 0.020 0.000 0.785 91 E N -3.502 116.714 120.200 0.028 0.000 2.502 91 E HA -0.023 nan 4.350 nan 0.000 0.194 91 E C 0.304 176.926 176.600 0.037 0.000 1.062 91 E CA 0.629 57.047 56.400 0.030 0.000 0.867 91 E CB -0.681 29.034 29.700 0.026 0.000 0.888 91 E HN -0.240 8.097 8.360 0.026 0.038 0.510 92 L N -2.361 118.885 121.223 0.038 0.000 2.628 92 L HA 0.223 nan 4.340 nan 0.000 0.229 92 L C -1.269 175.629 176.870 0.048 0.000 1.137 92 L CA -0.124 54.743 54.840 0.045 0.000 0.909 92 L CB 0.489 42.575 42.059 0.045 0.000 1.137 92 L HN 0.081 8.145 8.230 0.035 0.186 0.470 93 V N -7.186 112.754 119.914 0.045 0.000 2.350 93 V HA 0.415 nan 4.120 nan 0.000 0.276 93 V C 0.108 176.235 176.094 0.054 0.000 1.028 93 V CA -3.333 58.995 62.300 0.047 0.000 0.860 93 V CB -0.478 31.369 31.823 0.040 0.000 0.990 93 V HN -0.730 7.421 8.190 0.041 0.065 0.453 94 C N 8.906 128.245 119.300 0.065 0.000 2.651 94 C HA 0.205 nan 4.460 nan 0.000 0.410 94 C C -0.724 174.313 174.990 0.078 0.000 1.372 94 C CA -1.381 57.683 59.018 0.077 0.000 1.707 94 C CB -1.761 26.032 27.740 0.089 0.000 2.501 94 C HN 0.623 8.892 8.230 0.065 0.000 0.598 95 P HA -0.007 nan 4.420 nan 0.000 0.269 95 P C -2.206 175.152 177.300 0.096 0.000 1.215 95 P CA -1.154 61.989 63.100 0.073 0.000 0.780 95 P CB -0.325 31.412 31.700 0.061 0.000 0.898 96 P HA -0.060 nan 4.420 nan 0.000 0.265 96 P C -1.101 176.290 177.300 0.151 0.000 1.187 96 P CA 0.188 63.356 63.100 0.114 0.000 0.766 96 P CB 0.407 32.155 31.700 0.080 0.000 0.820 97 Y N 5.224 125.538 120.300 0.023 0.000 2.713 97 Y HA -0.301 nan 4.550 nan 0.000 0.341 97 Y C -1.292 174.607 175.900 -0.002 0.000 1.167 97 Y CA 0.657 58.764 58.100 0.013 0.000 1.503 97 Y CB -0.265 38.194 38.460 -0.002 0.000 1.199 97 Y HN 0.278 8.717 8.280 0.266 0.000 0.525 98 A N 9.204 131.901 122.820 -0.204 0.000 3.307 98 A HA 0.344 nan 4.320 nan 0.000 0.289 98 A C -3.023 174.405 177.584 -0.260 0.000 1.138 98 A CA -2.045 49.843 52.037 -0.249 0.000 0.860 98 A CB 0.491 19.432 19.000 -0.099 0.000 1.318 98 A HN 0.059 8.151 8.150 -0.097 0.000 0.551 99 P HA 0.028 nan 4.420 nan 0.000 0.271 99 P C 0.152 177.377 177.300 -0.125 0.000 1.216 99 P CA 0.707 63.673 63.100 -0.225 0.000 0.776 99 P CB 0.220 31.762 31.700 -0.265 0.000 0.881 100 G N 2.345 111.113 108.800 -0.052 0.000 2.245 100 G HA2 -0.405 nan 3.960 nan 0.000 0.264 100 G HA3 -0.405 nan 3.960 nan 0.000 0.264 100 G C -0.405 174.479 174.900 -0.025 0.000 0.985 100 G CA 0.312 45.398 45.100 -0.024 0.000 0.625 100 G HN 0.469 8.743 8.290 -0.027 0.000 0.536 101 E N 1.626 121.800 120.200 -0.043 0.000 2.313 101 E HA 0.179 nan 4.350 nan 0.000 0.276 101 E C 0.034 176.621 176.600 -0.021 0.000 1.031 101 E CA -0.414 55.965 56.400 -0.035 0.000 0.857 101 E CB 0.984 30.655 29.700 -0.048 0.000 1.040 101 E HN -0.706 7.540 8.360 -0.061 0.077 0.408 102 T N 3.323 117.868 114.554 -0.015 0.000 3.485 102 T HA 0.260 nan 4.350 nan 0.000 0.237 102 T C 1.519 176.214 174.700 -0.008 0.000 0.947 102 T CA -0.233 61.862 62.100 -0.008 0.000 1.490 102 T CB 0.606 69.470 68.868 -0.006 0.000 2.655 102 T HN -0.281 8.125 8.240 -0.017 -0.176 0.416 103 K N -0.786 119.610 120.400 -0.006 0.000 2.459 103 K HA 0.031 nan 4.320 nan 0.000 0.193 103 K C 1.938 178.532 176.600 -0.011 0.000 1.030 103 K CA 0.905 57.189 56.287 -0.006 0.000 1.026 103 K CB -0.203 32.295 32.500 -0.004 0.000 0.809 103 K HN 0.081 8.327 8.250 -0.005 0.000 0.504 104 E N 0.096 120.287 120.200 -0.015 0.000 2.315 104 E HA -0.500 nan 4.350 nan 0.000 0.215 104 E C 1.217 177.802 176.600 -0.025 0.000 1.069 104 E CA 3.193 59.581 56.400 -0.021 0.000 0.859 104 E CB -0.284 29.401 29.700 -0.025 0.000 0.743 104 E HN -0.260 8.031 8.360 -0.013 0.062 0.469 105 D N -1.859 118.528 120.400 -0.021 0.000 2.220 105 D HA -0.311 nan 4.640 nan 0.000 0.198 105 D C 2.273 178.561 176.300 -0.020 0.000 1.001 105 D CA 2.894 56.882 54.000 -0.020 0.000 0.875 105 D CB -0.438 40.354 40.800 -0.013 0.000 0.921 105 D HN -0.039 8.260 8.370 -0.018 0.060 0.454 106 I N -1.485 119.074 120.570 -0.018 0.000 2.494 106 I HA -0.163 nan 4.170 nan 0.000 0.250 106 I C 1.655 177.757 176.117 -0.024 0.000 1.112 106 I CA 1.288 62.577 61.300 -0.018 0.000 1.438 106 I CB -1.167 36.826 38.000 -0.012 0.000 1.111 106 I HN 0.011 8.203 8.210 -0.015 0.009 0.431 107 A N 0.749 123.554 122.820 -0.026 0.000 1.940 107 A HA -0.336 nan 4.320 nan 0.000 0.219 107 A C 2.320 179.878 177.584 -0.043 0.000 1.176 107 A CA 3.308 55.326 52.037 -0.031 0.000 0.631 107 A CB -1.000 17.982 19.000 -0.031 0.000 0.814 107 A HN -0.469 7.667 8.150 -0.024 0.000 0.446 108 R N -2.718 117.752 120.500 -0.049 0.000 2.092 108 R HA -0.319 nan 4.340 nan 0.000 0.231 108 R C 2.494 178.760 176.300 -0.056 0.000 1.119 108 R CA 3.595 59.657 56.100 -0.064 0.000 0.970 108 R CB -0.082 30.180 30.300 -0.063 0.000 0.864 108 R HN -0.110 8.130 8.270 -0.043 0.004 0.440 109 K N -1.570 118.805 120.400 -0.041 0.000 2.366 109 K HA -0.207 nan 4.320 nan 0.000 0.198 109 K C 2.412 178.992 176.600 -0.034 0.000 1.044 109 K CA 3.046 59.312 56.287 -0.035 0.000 0.973 109 K CB -0.278 32.207 32.500 -0.024 0.000 0.767 109 K HN -0.498 7.642 8.250 -0.035 0.089 0.475 110 E N -0.090 120.091 120.200 -0.032 0.000 2.076 110 E HA -0.227 nan 4.350 nan 0.000 0.190 110 E C 2.878 179.458 176.600 -0.033 0.000 0.979 110 E CA 2.308 58.692 56.400 -0.027 0.000 0.807 110 E CB -1.236 28.451 29.700 -0.022 0.000 0.761 110 E HN 0.179 8.401 8.360 -0.033 0.118 0.454 111 Q N 0.922 120.695 119.800 -0.045 0.000 2.029 111 Q HA -0.355 nan 4.340 nan 0.000 0.209 111 Q C 1.932 177.893 176.000 -0.065 0.000 0.999 111 Q CA 3.101 58.868 55.803 -0.059 0.000 0.857 111 Q CB -0.231 28.458 28.738 -0.081 0.000 0.926 111 Q HN -0.088 8.154 8.270 -0.046 0.000 0.415 112 L N -3.834 117.346 121.223 -0.072 0.000 1.989 112 L HA -0.339 nan 4.340 nan 0.000 0.211 112 L C 0.439 177.273 176.870 -0.060 0.000 1.071 112 L CA 2.140 56.931 54.840 -0.082 0.000 0.749 112 L CB 0.323 42.338 42.059 -0.073 0.000 0.890 112 L HN -0.052 8.137 8.230 -0.068 0.000 0.431 113 K N -1.445 118.931 120.400 -0.040 0.000 2.315 113 K HA -0.183 nan 4.320 nan 0.000 0.281 113 K C 0.245 176.836 176.600 -0.015 0.000 1.086 113 K CA 0.434 56.707 56.287 -0.024 0.000 1.042 113 K CB -1.526 30.964 32.500 -0.016 0.000 0.949 113 K HN -0.320 7.716 8.250 -0.038 0.191 0.450 114 S N 1.765 117.458 115.700 -0.011 0.000 3.002 114 S HA -0.394 nan 4.470 nan 0.000 0.289 114 S C 0.157 174.763 174.600 0.010 0.000 1.309 114 S CA 1.919 60.123 58.200 0.007 0.000 1.195 114 S CB -0.531 62.677 63.200 0.012 0.000 1.433 114 S HN 0.360 8.641 8.310 -0.019 0.018 0.711 115 L N 0.161 121.382 121.223 -0.003 0.000 2.395 115 L HA -0.117 nan 4.340 nan 0.000 0.218 115 L C -0.032 176.843 176.870 0.008 0.000 1.130 115 L CA 0.927 55.768 54.840 0.001 0.000 0.826 115 L CB 0.620 42.673 42.059 -0.010 0.000 0.941 115 L HN -0.452 7.667 8.230 -0.016 0.101 0.451 116 L N 0.561 121.780 121.223 -0.006 0.000 2.584 116 L HA -0.073 nan 4.340 nan 0.000 0.272 116 L C -1.195 175.733 176.870 0.097 0.000 1.195 116 L CA -1.084 53.760 54.840 0.007 0.000 0.920 116 L CB -0.061 41.937 42.059 -0.101 0.000 1.173 116 L HN -0.775 7.418 8.230 -0.026 0.022 0.489 117 P HA 0.144 nan 4.420 nan 0.000 0.268 117 P C -1.894 175.500 177.300 0.157 0.000 1.208 117 P CA -1.429 61.741 63.100 0.116 0.000 0.777 117 P CB -0.596 31.157 31.700 0.088 0.000 0.875 118 P HA -0.050 nan 4.420 nan 0.000 0.264 118 P C 0.712 178.016 177.300 0.006 0.000 1.193 118 P CA 0.057 63.204 63.100 0.078 0.000 0.763 118 P CB 0.632 32.356 31.700 0.040 0.000 0.810 119 L N 4.439 125.625 121.223 -0.062 0.000 2.283 119 L HA -0.444 nan 4.340 nan 0.000 0.217 119 L C 1.548 178.316 176.870 -0.170 0.000 1.104 119 L CA 2.859 57.529 54.840 -0.284 0.000 0.772 119 L CB -0.385 41.507 42.059 -0.277 0.000 0.899 119 L HN 0.582 8.842 8.230 0.050 0.000 0.439 120 D N -2.141 118.209 120.400 -0.084 0.000 2.234 120 D HA -0.130 nan 4.640 nan 0.000 0.205 120 D C 1.846 178.104 176.300 -0.070 0.000 0.962 120 D CA 3.098 57.060 54.000 -0.062 0.000 0.855 120 D CB -0.429 40.352 40.800 -0.031 0.000 0.951 120 D HN 0.172 8.447 8.370 -0.052 0.064 0.500 121 N N -2.044 116.614 118.700 -0.070 0.000 2.521 121 N HA -0.040 nan 4.740 nan 0.000 0.188 121 N C -0.626 174.820 175.510 -0.107 0.000 1.146 121 N CA 0.204 53.215 53.050 -0.065 0.000 0.893 121 N CB 0.067 38.532 38.487 -0.036 0.000 0.975 121 N HN 0.034 8.261 8.380 -0.059 0.118 0.451 122 I N 0.904 121.366 120.570 -0.180 0.000 2.416 122 I HA -0.074 nan 4.170 nan 0.000 0.288 122 I C -0.584 175.416 176.117 -0.195 0.000 1.051 122 I CA -0.931 60.206 61.300 -0.271 0.000 1.375 122 I CB -0.832 36.855 38.000 -0.521 0.000 1.407 122 I HN -0.858 7.174 8.210 -0.186 0.066 0.516 123 I N 5.725 126.204 120.570 -0.152 0.000 3.265 123 I HA -0.150 nan 4.170 nan 0.000 0.282 123 I C -0.711 175.352 176.117 -0.089 0.000 1.207 123 I CA 0.845 62.089 61.300 -0.093 0.000 1.449 123 I CB 0.706 38.672 38.000 -0.058 0.000 1.121 123 I HN 0.411 8.729 8.210 -0.146 -0.195 0.442 124 N N -3.294 115.330 118.700 -0.126 0.000 3.020 124 N HA 0.155 nan 4.740 nan 0.000 0.248 124 N C 0.182 175.612 175.510 -0.134 0.000 1.480 124 N CA -0.800 52.190 53.050 -0.100 0.000 0.874 124 N CB 1.823 40.293 38.487 -0.027 0.000 1.433 124 N HN -0.568 7.996 8.380 -0.183 -0.294 0.530 125 L N 0.053 121.206 121.223 -0.116 0.000 2.127 125 L HA -0.313 nan 4.340 nan 0.000 0.211 125 L C 1.280 178.113 176.870 -0.062 0.000 1.089 125 L CA 3.109 57.915 54.840 -0.057 0.000 0.757 125 L CB -0.350 41.528 42.059 -0.301 0.000 0.899 125 L HN 0.709 8.845 8.230 -0.158 0.000 0.434 126 Y N -4.677 115.631 120.300 0.013 0.000 2.509 126 Y HA -0.340 nan 4.550 nan 0.000 0.293 126 Y C 1.728 177.642 175.900 0.023 0.000 1.133 126 Y CA 1.901 60.011 58.100 0.017 0.000 1.283 126 Y CB -1.306 37.145 38.460 -0.015 0.000 1.001 126 Y HN -0.205 7.909 8.280 -0.266 0.006 0.555 127 D N 0.863 121.305 120.400 0.070 0.000 2.137 127 D HA -0.215 nan 4.640 nan 0.000 0.202 127 D C 2.187 178.508 176.300 0.035 0.000 0.970 127 D CA 3.532 57.537 54.000 0.008 0.000 0.837 127 D CB -0.582 40.112 40.800 -0.177 0.000 0.981 127 D HN 0.106 8.283 8.370 -0.032 0.174 0.475 128 F N -1.040 118.978 119.950 0.113 0.000 2.154 128 F HA -0.383 nan 4.527 nan 0.000 0.301 128 F C 2.284 178.112 175.800 0.047 0.000 1.087 128 F CA 3.686 61.764 58.000 0.131 0.000 1.274 128 F CB -0.609 38.471 39.000 0.133 0.000 1.009 128 F HN -0.714 7.421 8.300 -0.274 0.000 0.485 129 E N -0.473 119.834 120.200 0.178 0.000 2.047 129 E HA -0.425 nan 4.350 nan 0.000 0.191 129 E C 2.095 178.617 176.600 -0.131 0.000 0.987 129 E CA 3.221 59.543 56.400 -0.130 0.000 0.799 129 E CB -0.166 29.536 29.700 0.003 0.000 0.752 129 E HN -0.612 7.790 8.360 0.244 0.104 0.449 130 Y N 1.302 121.560 120.300 -0.071 0.000 2.097 130 Y HA -0.413 nan 4.550 nan 0.000 0.282 130 Y C 1.983 177.793 175.900 -0.151 0.000 1.152 130 Y CA 3.206 61.236 58.100 -0.116 0.000 1.136 130 Y CB 0.001 38.422 38.460 -0.065 0.000 0.975 130 Y HN -0.507 7.900 8.280 0.212 0.000 0.498 131 L N -2.158 118.854 121.223 -0.351 0.000 2.042 131 L HA -0.431 nan 4.340 nan 0.000 0.210 131 L C 2.400 179.076 176.870 -0.324 0.000 1.076 131 L CA 2.226 56.853 54.840 -0.356 0.000 0.749 131 L CB -1.509 40.531 42.059 -0.033 0.000 0.893 131 L HN 0.203 8.430 8.230 -0.005 0.000 0.432 132 A N -2.278 120.420 122.820 -0.203 0.000 2.014 132 A HA -0.234 nan 4.320 nan 0.000 0.218 132 A C 2.102 179.412 177.584 -0.458 0.000 1.163 132 A CA 3.165 55.119 52.037 -0.138 0.000 0.652 132 A CB -0.831 18.237 19.000 0.114 0.000 0.808 132 A HN 0.452 8.335 8.150 -0.129 0.189 0.449 133 S N -3.319 111.829 115.700 -0.920 0.000 2.453 133 S HA -0.322 nan 4.470 nan 0.000 0.231 133 S C 1.906 175.929 174.600 -0.963 0.000 1.005 133 S CA 3.151 60.351 58.200 -1.667 0.000 0.949 133 S CB -0.241 62.032 63.200 -1.544 0.000 0.774 133 S HN 0.120 7.879 8.310 -0.754 0.099 0.510 134 Q N 0.078 119.475 119.800 -0.672 0.000 2.089 134 Q HA -0.020 nan 4.340 nan 0.000 0.195 134 Q C 2.658 178.475 176.000 -0.306 0.000 0.963 134 Q CA 2.328 57.855 55.803 -0.460 0.000 0.834 134 Q CB 0.161 28.617 28.738 -0.469 0.000 0.906 134 Q HN -0.519 7.287 8.270 -0.712 0.037 0.452 135 T N -4.856 109.542 114.554 -0.261 0.000 3.065 135 T HA 0.068 nan 4.350 nan 0.000 0.252 135 T C 0.462 175.099 174.700 -0.106 0.000 1.099 135 T CA 0.497 62.501 62.100 -0.160 0.000 1.063 135 T CB 0.274 69.058 68.868 -0.140 0.000 0.948 135 T HN -0.534 7.528 8.240 -0.297 0.000 0.506 136 L N 1.687 122.856 121.223 -0.090 0.000 2.439 136 L HA 0.026 nan 4.340 nan 0.000 0.269 136 L C 0.305 177.177 176.870 0.003 0.000 1.179 136 L CA 0.199 55.050 54.840 0.019 0.000 0.828 136 L CB 0.670 42.839 42.059 0.184 0.000 1.106 136 L HN -0.529 7.607 8.230 -0.156 0.000 0.467 137 T N 1.536 116.099 114.554 0.015 0.000 2.946 137 T HA -0.100 nan 4.350 nan 0.000 0.311 137 T C 1.257 175.974 174.700 0.029 0.000 1.063 137 T CA 0.801 62.898 62.100 -0.005 0.000 1.139 137 T CB 0.493 69.345 68.868 -0.027 0.000 0.994 137 T HN 0.142 8.394 8.240 0.020 0.000 0.547 138 K N 7.836 128.246 120.400 0.016 0.000 2.113 138 K HA -0.497 nan 4.320 nan 0.000 0.208 138 K C 1.873 178.482 176.600 0.015 0.000 1.047 138 K CA 4.192 60.511 56.287 0.053 0.000 0.928 138 K CB -0.181 32.325 32.500 0.010 0.000 0.716 138 K HN -0.029 8.573 8.250 -0.013 -0.361 0.446 139 Q N -1.363 118.387 119.800 -0.083 0.000 2.016 139 Q HA -0.279 nan 4.340 nan 0.000 0.200 139 Q C 1.720 177.668 176.000 -0.087 0.000 0.978 139 Q CA 2.933 58.661 55.803 -0.125 0.000 0.833 139 Q CB -1.043 27.545 28.738 -0.250 0.000 0.895 139 Q HN 0.193 8.394 8.270 -0.115 0.000 0.427 140 A N -0.120 122.626 122.820 -0.124 0.000 1.930 140 A HA -0.216 nan 4.320 nan 0.000 0.217 140 A C 1.917 179.404 177.584 -0.161 0.000 1.175 140 A CA 2.690 54.553 52.037 -0.289 0.000 0.627 140 A CB -1.138 17.707 19.000 -0.259 0.000 0.815 140 A HN -0.511 7.581 8.150 -0.097 0.000 0.443 141 W N -0.887 120.357 121.300 -0.093 0.000 2.381 141 W HA -0.480 nan 4.660 nan 0.000 0.301 141 W C 1.123 177.672 176.519 0.049 0.000 1.205 141 W CA 2.731 60.094 57.345 0.030 0.000 1.285 141 W CB 0.647 30.117 29.460 0.017 0.000 1.133 141 W HN 0.409 8.717 8.180 0.213 0.000 0.521 142 A N -1.299 121.488 122.820 -0.055 0.000 1.883 142 A HA -0.386 nan 4.320 nan 0.000 0.217 142 A C 1.781 179.277 177.584 -0.147 0.000 1.186 142 A CA 3.140 55.093 52.037 -0.139 0.000 0.624 142 A CB -1.081 17.899 19.000 -0.033 0.000 0.822 142 A HN -0.058 8.140 8.150 0.079 0.000 0.444 143 F N -0.421 119.395 119.950 -0.223 0.000 2.146 143 F HA -0.362 nan 4.527 nan 0.000 0.298 143 F C 1.408 177.155 175.800 -0.089 0.000 1.096 143 F CA 3.959 61.853 58.000 -0.177 0.000 1.275 143 F CB 0.549 39.419 39.000 -0.217 0.000 1.008 143 F HN 0.026 8.348 8.300 0.037 0.000 0.480 144 Y N -2.720 117.507 120.300 -0.121 0.000 2.242 144 Y HA -0.351 nan 4.550 nan 0.000 0.291 144 Y C 2.372 178.056 175.900 -0.360 0.000 1.137 144 Y CA 0.958 58.918 58.100 -0.233 0.000 1.181 144 Y CB -0.607 37.831 38.460 -0.037 0.000 0.989 144 Y HN 0.255 8.464 8.280 -0.119 0.000 0.527 145 S N -3.359 112.134 115.700 -0.345 0.000 2.535 145 S HA 0.044 nan 4.470 nan 0.000 0.214 145 S C 0.162 174.552 174.600 -0.350 0.000 0.980 145 S CA 0.846 58.778 58.200 -0.447 0.000 0.907 145 S CB 0.903 63.439 63.200 -1.107 0.000 0.790 145 S HN 0.095 8.134 8.310 -0.452 0.000 0.510 146 S N 0.818 116.318 115.700 -0.333 0.000 2.632 146 S HA 0.339 nan 4.470 nan 0.000 0.267 146 S C 0.121 174.539 174.600 -0.303 0.000 1.276 146 S CA -0.392 57.655 58.200 -0.255 0.000 0.998 146 S CB 1.308 64.387 63.200 -0.202 0.000 0.953 146 S HN -0.699 7.404 8.310 -0.345 0.000 0.547 147 G N -3.179 105.503 108.800 -0.196 0.000 2.685 147 G HA2 0.471 nan 3.960 nan 0.000 0.298 147 G HA3 0.471 nan 3.960 nan 0.000 0.298 147 G C -2.421 172.417 174.900 -0.104 0.000 1.277 147 G CA -1.741 43.251 45.100 -0.181 0.000 0.986 147 G HN -0.229 8.161 8.290 -0.116 -0.170 0.487 148 A N -1.962 120.810 122.820 -0.080 0.000 2.366 148 A HA 0.041 nan 4.320 nan 0.000 0.272 148 A C -0.434 177.133 177.584 -0.029 0.000 1.135 148 A CA -0.582 51.419 52.037 -0.059 0.000 0.804 148 A CB 0.554 19.523 19.000 -0.050 0.000 1.064 148 A HN 0.349 8.344 8.150 -0.073 0.111 0.499 149 N N 5.248 123.939 118.700 -0.016 0.000 2.568 149 N HA -0.362 nan 4.740 nan 0.000 0.277 149 N C -0.875 174.648 175.510 0.021 0.000 1.200 149 N CA 1.048 54.106 53.050 0.013 0.000 0.702 149 N CB -0.673 37.833 38.487 0.031 0.000 0.889 149 N HN 0.492 8.856 8.380 -0.026 0.000 0.546 150 D N -4.919 115.493 120.400 0.021 0.000 3.068 150 D HA -0.467 nan 4.640 nan 0.000 0.219 150 D C -0.176 176.120 176.300 -0.006 0.000 1.175 150 D CA 1.743 55.758 54.000 0.025 0.000 0.942 150 D CB -1.293 39.540 40.800 0.056 0.000 1.127 150 D HN 0.486 8.866 8.370 0.017 0.000 0.404 151 E N -6.770 113.416 120.200 -0.025 0.000 2.971 151 E HA -0.495 nan 4.350 nan 0.000 0.278 151 E C 0.691 177.241 176.600 -0.084 0.000 1.009 151 E CA 0.774 57.165 56.400 -0.016 0.000 0.862 151 E CB -1.606 28.124 29.700 0.051 0.000 1.436 151 E HN -0.060 8.191 8.360 -0.025 0.094 0.434 152 V N -5.665 114.110 119.914 -0.231 0.000 2.379 152 V HA -0.185 nan 4.120 nan 0.000 0.245 152 V C 0.923 176.857 176.094 -0.267 0.000 1.044 152 V CA 4.046 66.158 62.300 -0.313 0.000 1.036 152 V CB -0.409 31.058 31.823 -0.593 0.000 0.664 152 V HN -0.342 7.921 8.190 -0.273 -0.237 0.453 153 T N 3.222 117.624 114.554 -0.253 0.000 2.881 153 T HA -0.302 nan 4.350 nan 0.000 0.270 153 T C 1.445 176.145 174.700 0.001 0.000 1.068 153 T CA 5.230 67.258 62.100 -0.120 0.000 1.131 153 T CB -0.864 67.955 68.868 -0.082 0.000 0.871 153 T HN -0.299 8.022 8.240 -0.294 -0.258 0.479 154 H N 2.686 121.704 119.070 -0.087 0.000 2.276 154 H HA -0.222 nan 4.556 nan 0.000 0.301 154 H C 1.557 176.871 175.328 -0.023 0.000 1.073 154 H CA 3.006 59.026 56.048 -0.046 0.000 1.311 154 H CB -0.304 29.426 29.762 -0.054 0.000 1.379 154 H HN -0.120 8.181 8.280 0.066 0.020 0.494 155 R N -1.992 118.352 120.500 -0.260 0.000 2.115 155 R HA -0.366 nan 4.340 nan 0.000 0.230 155 R C 2.179 178.425 176.300 -0.090 0.000 1.111 155 R CA 3.107 59.058 56.100 -0.249 0.000 0.976 155 R CB -0.113 30.069 30.300 -0.197 0.000 0.870 155 R HN -0.651 7.513 8.270 -0.176 0.000 0.445 156 E N 0.131 120.284 120.200 -0.078 0.000 2.070 156 E HA -0.366 nan 4.350 nan 0.000 0.197 156 E C 1.930 178.512 176.600 -0.030 0.000 1.004 156 E CA 2.895 59.260 56.400 -0.057 0.000 0.805 156 E CB -0.608 29.047 29.700 -0.076 0.000 0.744 156 E HN 0.179 8.480 8.360 -0.099 0.000 0.451 157 N N -2.349 116.357 118.700 0.010 0.000 2.184 157 N HA -0.366 nan 4.740 nan 0.000 0.190 157 N C 1.936 177.526 175.510 0.133 0.000 1.011 157 N CA 2.771 55.853 53.050 0.054 0.000 0.867 157 N CB 0.096 38.654 38.487 0.118 0.000 0.993 157 N HN -0.136 8.251 8.380 0.012 0.000 0.433 158 H N -0.634 118.455 119.070 0.031 0.000 2.388 158 H HA 0.040 nan 4.556 nan 0.000 0.304 158 H C 1.798 177.113 175.328 -0.022 0.000 1.049 158 H CA 2.613 58.711 56.048 0.083 0.000 1.371 158 H CB 1.207 30.959 29.762 -0.015 0.000 1.436 158 H HN -0.462 7.766 8.280 0.137 0.134 0.544 159 N N 0.718 119.324 118.700 -0.157 0.000 2.272 159 N HA -0.395 nan 4.740 nan 0.000 0.185 159 N C 2.431 177.850 175.510 -0.153 0.000 1.014 159 N CA 2.882 55.781 53.050 -0.252 0.000 0.870 159 N CB -0.153 38.271 38.487 -0.105 0.000 0.975 159 N HN -0.099 8.267 8.380 -0.024 0.000 0.433 160 A N 0.351 123.086 122.820 -0.141 0.000 2.015 160 A HA -0.191 nan 4.320 nan 0.000 0.219 160 A C 2.049 179.523 177.584 -0.183 0.000 1.163 160 A CA 2.574 54.518 52.037 -0.155 0.000 0.646 160 A CB -0.886 17.984 19.000 -0.217 0.000 0.806 160 A HN 0.090 8.133 8.150 -0.129 0.030 0.448 161 Y N -2.321 117.915 120.300 -0.106 0.000 2.224 161 Y HA -0.367 nan 4.550 nan 0.000 0.289 161 Y C 2.074 177.964 175.900 -0.017 0.000 1.146 161 Y CA 3.992 62.045 58.100 -0.078 0.000 1.182 161 Y CB -0.543 37.852 38.460 -0.109 0.000 0.983 161 Y HN -0.324 7.839 8.280 -0.174 0.013 0.524 162 H N -2.340 116.689 119.070 -0.069 0.000 2.563 162 H HA 0.023 nan 4.556 nan 0.000 0.272 162 H C 0.665 175.991 175.328 -0.003 0.000 1.005 162 H CA 1.057 57.048 56.048 -0.095 0.000 1.171 162 H CB -0.708 28.999 29.762 -0.092 0.000 1.351 162 H HN -0.438 7.710 8.280 0.059 0.168 0.602 163 R N -1.462 119.101 120.500 0.106 0.000 2.320 163 R HA 0.026 nan 4.340 nan 0.000 0.211 163 R C -0.401 175.968 176.300 0.115 0.000 0.931 163 R CA 0.613 56.779 56.100 0.109 0.000 1.071 163 R CB 0.451 30.776 30.300 0.042 0.000 1.025 163 R HN -0.413 7.704 8.270 0.053 0.184 0.495 164 I N 0.980 121.585 120.570 0.058 0.000 2.418 164 I HA 0.038 nan 4.170 nan 0.000 0.287 164 I C -1.879 174.174 176.117 -0.107 0.000 1.008 164 I CA -0.705 60.603 61.300 0.013 0.000 1.104 164 I CB 1.582 39.547 38.000 -0.058 0.000 1.264 164 I HN -0.403 7.647 8.210 0.006 0.164 0.438 165 F N 5.022 124.851 119.950 -0.202 0.000 2.452 165 F HA 0.213 nan 4.527 nan 0.000 0.353 165 F C -0.065 175.594 175.800 -0.235 0.000 1.089 165 F CA -1.460 56.388 58.000 -0.253 0.000 1.080 165 F CB 2.166 41.110 39.000 -0.094 0.000 1.399 165 F HN -0.256 8.225 8.300 0.302 0.000 0.492 166 F N 0.171 120.217 119.950 0.160 0.000 2.575 166 F HA 0.537 nan 4.527 nan 0.000 0.330 166 F C -0.786 175.070 175.800 0.094 0.000 1.056 166 F CA -1.367 56.685 58.000 0.088 0.000 0.964 166 F CB 2.365 41.386 39.000 0.036 0.000 1.258 166 F HN -0.115 8.358 8.300 0.288 0.000 0.484 167 K N 0.613 121.195 120.400 0.304 0.000 2.842 167 K HA 0.381 nan 4.320 nan 0.000 0.176 167 K C -2.522 174.133 176.600 0.091 0.000 1.080 167 K CA -1.830 54.554 56.287 0.162 0.000 0.954 167 K CB 0.669 33.247 32.500 0.129 0.000 1.203 167 K HN 0.098 8.546 8.250 0.330 0.000 0.611 168 P HA -0.038 nan 4.420 nan 0.000 0.268 168 P C -1.792 175.508 177.300 0.001 0.000 1.204 168 P CA -0.241 62.856 63.100 -0.005 0.000 0.768 168 P CB 0.600 32.294 31.700 -0.011 0.000 0.842 169 K N 4.076 124.467 120.400 -0.015 0.000 2.144 169 K HA 0.131 nan 4.320 nan 0.000 0.270 169 K C -0.834 175.760 176.600 -0.009 0.000 1.005 169 K CA -0.827 55.457 56.287 -0.005 0.000 0.932 169 K CB 0.998 33.495 32.500 -0.007 0.000 1.021 169 K HN -0.190 8.039 8.250 -0.034 0.000 0.462 170 I N -0.066 120.503 120.570 -0.002 0.000 2.910 170 I HA 0.161 nan 4.170 nan 0.000 0.310 170 I C -0.542 175.574 176.117 -0.002 0.000 1.043 170 I CA -2.139 59.160 61.300 -0.002 0.000 1.053 170 I CB 2.136 40.138 38.000 0.003 0.000 1.242 170 I HN -0.146 8.065 8.210 0.001 0.000 0.452 171 L N 2.498 123.720 121.223 -0.002 0.000 3.677 171 L HA -0.348 nan 4.340 nan 0.000 0.464 171 L C -1.611 175.258 176.870 -0.001 0.000 1.278 171 L CA 0.516 55.356 54.840 -0.001 0.000 0.806 171 L CB -1.347 40.712 42.059 0.001 0.000 1.610 171 L HN 0.356 8.584 8.230 -0.003 0.000 0.867 172 V N -2.211 117.701 119.914 -0.004 0.000 2.656 172 V HA 0.105 nan 4.120 nan 0.000 0.307 172 V C -1.054 175.037 176.094 -0.005 0.000 1.051 172 V CA -0.960 61.337 62.300 -0.004 0.000 0.893 172 V CB 2.725 34.544 31.823 -0.007 0.000 0.999 172 V HN -0.631 7.556 8.190 -0.005 0.000 0.426 173 D N 4.656 125.055 120.400 -0.003 0.000 2.393 173 D HA -0.035 nan 4.640 nan 0.000 0.232 173 D C 0.554 176.852 176.300 -0.003 0.000 1.192 173 D CA -0.028 53.970 54.000 -0.002 0.000 0.882 173 D CB -0.159 40.641 40.800 -0.000 0.000 1.038 173 D HN -0.011 8.357 8.370 -0.002 0.000 0.499 174 V N 2.096 122.007 119.914 -0.005 0.000 2.611 174 V HA 0.402 nan 4.120 nan 0.000 0.286 174 V C -0.068 176.023 176.094 -0.004 0.000 1.118 174 V CA -1.804 60.492 62.300 -0.007 0.000 1.334 174 V CB -1.209 30.607 31.823 -0.013 0.000 1.555 174 V HN 0.109 8.296 8.190 -0.006 0.000 0.594 175 R N 2.780 123.279 120.500 -0.001 0.000 2.052 175 R HA -0.140 nan 4.340 nan 0.000 0.226 175 R C -0.229 176.073 176.300 0.003 0.000 1.145 175 R CA 2.001 58.101 56.100 0.001 0.000 0.952 175 R CB 0.476 30.777 30.300 0.002 0.000 0.847 175 R HN -0.103 8.101 8.270 -0.001 0.065 0.431 176 K N -1.050 119.352 120.400 0.004 0.000 2.182 176 K HA 0.070 nan 4.320 nan 0.000 0.262 176 K C -1.646 174.958 176.600 0.007 0.000 0.957 176 K CA -0.816 55.475 56.287 0.007 0.000 0.842 176 K CB 1.401 33.906 32.500 0.009 0.000 1.099 176 K HN -0.096 8.156 8.250 0.003 0.000 0.438 177 V N 1.502 121.421 119.914 0.009 0.000 2.656 177 V HA 0.336 nan 4.120 nan 0.000 0.307 177 V C -1.346 174.758 176.094 0.017 0.000 1.051 177 V CA -1.518 60.788 62.300 0.009 0.000 0.893 177 V CB 2.584 34.410 31.823 0.005 0.000 0.999 177 V HN 0.136 8.332 8.190 0.010 0.000 0.426 178 D N 4.693 125.106 120.400 0.021 0.000 2.593 178 D HA 0.306 nan 4.640 nan 0.000 0.251 178 D C -0.260 176.057 176.300 0.028 0.000 1.140 178 D CA -0.656 53.362 54.000 0.029 0.000 0.855 178 D CB 3.102 43.925 40.800 0.039 0.000 1.267 178 D HN 0.526 8.799 8.370 0.019 0.108 0.532 179 I N -3.394 117.191 120.570 0.025 0.000 3.891 179 I HA 0.445 nan 4.170 nan 0.000 0.331 179 I C -0.437 175.674 176.117 -0.009 0.000 1.406 179 I CA -1.371 59.942 61.300 0.020 0.000 1.139 179 I CB -0.680 37.342 38.000 0.036 0.000 1.056 179 I HN 0.118 8.344 8.210 0.026 0.000 0.399 180 S N 1.301 116.987 115.700 -0.023 0.000 2.645 180 S HA 0.400 nan 4.470 nan 0.000 0.266 180 S C -1.347 173.178 174.600 -0.125 0.000 1.258 180 S CA -0.995 57.125 58.200 -0.132 0.000 0.990 180 S CB 2.116 65.234 63.200 -0.137 0.000 0.967 180 S HN -0.673 7.845 8.310 0.014 -0.200 0.556 181 T N -0.811 113.612 114.554 -0.218 0.000 2.665 181 T HA 0.373 nan 4.350 nan 0.000 0.303 181 T C -2.773 171.857 174.700 -0.118 0.000 1.334 181 T CA -1.072 60.977 62.100 -0.086 0.000 1.011 181 T CB 2.036 70.897 68.868 -0.011 0.000 1.573 181 T HN 0.396 8.407 8.240 -0.381 0.000 0.492 182 D N -0.963 119.444 120.400 0.012 0.000 2.619 182 D HA 0.830 nan 4.640 nan 0.000 0.241 182 D C -2.074 174.304 176.300 0.131 0.000 1.087 182 D CA -1.683 52.354 54.000 0.061 0.000 0.851 182 D CB 2.643 43.502 40.800 0.099 0.000 1.474 182 D HN 0.102 8.494 8.370 0.037 0.000 0.478 183 M N -0.780 118.943 119.600 0.206 0.000 2.327 183 M HA 0.254 nan 4.480 nan 0.000 0.298 183 M C -0.189 176.290 176.300 0.298 0.000 1.065 183 M CA -0.791 54.712 55.300 0.337 0.000 0.916 183 M CB 4.031 36.955 32.600 0.540 0.000 1.630 183 M HN 0.302 8.706 8.290 0.190 0.000 0.442 184 L N 2.436 123.802 121.223 0.239 0.000 3.833 184 L HA -0.429 nan 4.340 nan 0.000 0.447 184 L C 0.325 177.258 176.870 0.105 0.000 1.213 184 L CA 0.705 55.612 54.840 0.112 0.000 0.801 184 L CB -1.839 40.210 42.059 -0.016 0.000 1.676 184 L HN 0.872 9.691 8.230 0.283 -0.419 0.883 185 G N -4.373 104.489 108.800 0.104 0.000 2.198 185 G HA2 -0.447 nan 3.960 nan 0.000 0.260 185 G HA3 -0.447 nan 3.960 nan 0.000 0.260 185 G C -0.426 174.541 174.900 0.113 0.000 1.025 185 G CA 0.343 45.497 45.100 0.089 0.000 0.769 185 G HN 0.473 8.812 8.290 0.108 0.016 0.507 186 S N -1.478 114.311 115.700 0.149 0.000 2.536 186 S HA 0.234 nan 4.470 nan 0.000 0.287 186 S C -1.971 172.728 174.600 0.165 0.000 1.101 186 S CA -1.103 57.188 58.200 0.151 0.000 0.950 186 S CB 2.680 65.980 63.200 0.167 0.000 1.056 186 S HN -0.269 8.028 8.310 0.171 0.115 0.481 187 H N 5.269 124.372 119.070 0.055 0.000 2.580 187 H HA 0.518 nan 4.556 nan 0.000 0.322 187 H C -1.554 173.790 175.328 0.026 0.000 1.082 187 H CA 0.249 56.322 56.048 0.042 0.000 1.383 187 H CB 0.740 30.517 29.762 0.025 0.000 1.450 187 H HN 0.006 8.421 8.280 0.225 0.000 0.505 188 V N 6.585 126.318 119.914 -0.301 0.000 2.628 188 V HA 0.230 nan 4.120 nan 0.000 0.306 188 V C -0.264 175.592 176.094 -0.397 0.000 1.045 188 V CA -1.631 60.531 62.300 -0.230 0.000 0.905 188 V CB 3.872 35.632 31.823 -0.105 0.000 0.997 188 V HN 0.739 8.686 8.190 -0.405 0.000 0.436 189 D N 5.751 126.011 120.400 -0.233 0.000 2.264 189 D HA -0.191 nan 4.640 nan 0.000 0.208 189 D C -0.883 175.304 176.300 -0.188 0.000 0.966 189 D CA 2.567 56.463 54.000 -0.174 0.000 0.864 189 D CB 0.458 41.196 40.800 -0.104 0.000 0.933 189 D HN 0.298 8.562 8.370 -0.178 0.000 0.499 190 V N -4.026 115.732 119.914 -0.261 0.000 3.049 190 V HA 0.353 nan 4.120 nan 0.000 0.309 190 V C -1.999 173.948 176.094 -0.244 0.000 1.148 190 V CA -3.606 58.513 62.300 -0.303 0.000 0.990 190 V CB 3.945 35.428 31.823 -0.567 0.000 1.039 190 V HN -0.524 7.449 8.190 -0.278 0.050 0.430 191 P HA 0.291 nan 4.420 nan 0.000 0.253 191 P C -2.166 175.256 177.300 0.203 0.000 1.508 191 P CA 0.612 63.762 63.100 0.084 0.000 0.883 191 P CB -1.108 30.670 31.700 0.130 0.000 1.519 192 F N -5.219 114.796 119.950 0.108 0.000 2.643 192 F HA 0.753 nan 4.527 nan 0.000 0.314 192 F C -2.918 172.924 175.800 0.069 0.000 1.096 192 F CA -2.221 55.818 58.000 0.064 0.000 0.953 192 F CB 2.913 41.917 39.000 0.006 0.000 1.345 192 F HN -1.041 6.914 8.300 -0.465 0.067 0.468 193 Y N -6.098 114.364 120.300 0.269 0.000 2.615 193 Y HA 0.491 nan 4.550 nan 0.000 0.341 193 Y C -2.401 173.512 175.900 0.020 0.000 1.089 193 Y CA -2.575 55.522 58.100 -0.005 0.000 1.049 193 Y CB 1.904 40.334 38.460 -0.049 0.000 1.296 193 Y HN 0.073 8.315 8.280 -0.063 0.000 0.470 194 V N 0.750 120.636 119.914 -0.047 0.000 2.432 194 V HA 0.170 nan 4.120 nan 0.000 0.271 194 V C -0.242 175.887 176.094 0.058 0.000 1.046 194 V CA -0.485 61.727 62.300 -0.147 0.000 0.945 194 V CB -0.787 30.752 31.823 -0.473 0.000 0.992 194 V HN 0.054 8.172 8.190 -0.119 0.000 0.471 195 S N 6.789 122.513 115.700 0.041 0.000 2.617 195 S HA 0.089 nan 4.470 nan 0.000 0.269 195 S C -1.155 173.395 174.600 -0.083 0.000 1.292 195 S CA -0.494 57.735 58.200 0.049 0.000 1.010 195 S CB 2.001 65.193 63.200 -0.013 0.000 0.944 195 S HN 0.274 8.493 8.310 0.007 0.095 0.536 196 A N 2.338 125.067 122.820 -0.151 0.000 2.498 196 A HA -0.031 nan 4.320 nan 0.000 0.239 196 A C -1.480 176.011 177.584 -0.155 0.000 1.068 196 A CA 0.803 52.737 52.037 -0.173 0.000 0.766 196 A CB 0.790 19.653 19.000 -0.228 0.000 1.003 196 A HN 0.079 8.121 8.150 -0.179 0.000 0.497 197 T N 2.076 116.560 114.554 -0.116 0.000 2.928 197 T HA 0.309 nan 4.350 nan 0.000 0.296 197 T C -1.216 173.486 174.700 0.004 0.000 1.000 197 T CA -0.815 61.233 62.100 -0.086 0.000 0.989 197 T CB 1.620 70.405 68.868 -0.137 0.000 1.005 197 T HN 0.213 8.389 8.240 -0.106 0.000 0.442 198 A N 5.113 127.996 122.820 0.105 0.000 2.310 198 A HA 0.326 nan 4.320 nan 0.000 0.260 198 A C 0.168 177.883 177.584 0.219 0.000 1.112 198 A CA -0.910 51.227 52.037 0.165 0.000 0.804 198 A CB 0.672 19.831 19.000 0.264 0.000 1.081 198 A HN 0.231 8.449 8.150 0.113 0.000 0.499 199 L N -4.258 117.023 121.223 0.097 0.000 4.241 199 L HA -0.505 nan 4.340 nan 0.000 0.480 199 L C 1.273 178.235 176.870 0.154 0.000 1.086 199 L CA 0.393 55.252 54.840 0.031 0.000 0.653 199 L CB -2.814 39.133 42.059 -0.187 0.000 1.525 199 L HN 0.188 8.439 8.230 0.035 0.000 0.763 200 C N -0.371 119.000 119.300 0.119 0.000 2.419 200 C HA -0.395 nan 4.460 nan 0.000 0.283 200 C C 1.848 176.915 174.990 0.128 0.000 1.373 200 C CA 2.777 61.873 59.018 0.131 0.000 1.781 200 C CB -1.527 26.233 27.740 0.033 0.000 1.886 200 C HN 0.224 8.647 8.230 0.073 -0.149 0.520 201 K N -0.644 119.793 120.400 0.062 0.000 2.442 201 K HA -0.234 nan 4.320 nan 0.000 0.198 201 K C 1.141 177.768 176.600 0.045 0.000 1.044 201 K CA 2.164 58.476 56.287 0.042 0.000 0.948 201 K CB -0.544 31.959 32.500 0.005 0.000 0.762 201 K HN -0.433 7.812 8.250 0.032 0.024 0.472 202 L N -3.102 118.148 121.223 0.046 0.000 2.083 202 L HA -0.225 nan 4.340 nan 0.000 0.209 202 L C 0.851 177.758 176.870 0.062 0.000 1.083 202 L CA 2.054 56.887 54.840 -0.012 0.000 0.752 202 L CB 0.145 42.107 42.059 -0.161 0.000 0.899 202 L HN -0.654 7.579 8.230 0.069 0.038 0.433 203 G N -5.443 103.492 108.800 0.225 0.000 2.656 203 G HA2 -0.036 nan 3.960 nan 0.000 0.211 203 G HA3 -0.036 nan 3.960 nan 0.000 0.211 203 G C -0.504 174.494 174.900 0.164 0.000 1.137 203 G CA -0.462 44.806 45.100 0.281 0.000 0.802 203 G HN -0.650 7.813 8.290 0.317 0.018 0.527 204 N N 0.228 119.004 118.700 0.126 0.000 2.762 204 N HA 0.509 nan 4.740 nan 0.000 0.252 204 N C -1.467 174.076 175.510 0.056 0.000 1.269 204 N CA -2.778 50.317 53.050 0.076 0.000 0.799 204 N CB 1.862 40.387 38.487 0.064 0.000 1.173 204 N HN -0.525 7.940 8.380 0.141 0.000 0.516 205 P HA -0.141 nan 4.420 nan 0.000 0.216 205 P C 0.419 177.736 177.300 0.029 0.000 1.153 205 P CA 1.858 64.977 63.100 0.033 0.000 0.848 205 P CB -0.190 31.527 31.700 0.028 0.000 0.787 206 L N -3.665 117.575 121.223 0.028 0.000 2.046 206 L HA -0.112 nan 4.340 nan 0.000 0.208 206 L C 1.833 178.718 176.870 0.024 0.000 1.077 206 L CA 2.094 56.949 54.840 0.025 0.000 0.747 206 L CB -0.399 41.674 42.059 0.024 0.000 0.896 206 L HN -0.420 7.827 8.230 0.029 0.000 0.432 207 E N -6.391 113.824 120.200 0.025 0.000 2.391 207 E HA 0.140 nan 4.350 nan 0.000 0.206 207 E C 1.366 177.977 176.600 0.019 0.000 0.851 207 E CA -0.432 55.981 56.400 0.021 0.000 1.059 207 E CB 2.543 32.255 29.700 0.019 0.000 1.065 207 E HN -0.352 8.278 8.360 0.029 -0.253 0.512 208 G N -0.011 108.804 108.800 0.025 0.000 2.672 208 G HA2 -0.548 nan 3.960 nan 0.000 0.324 208 G HA3 -0.548 nan 3.960 nan 0.000 0.324 208 G C 0.727 175.631 174.900 0.007 0.000 1.286 208 G CA 1.474 46.588 45.100 0.024 0.000 1.004 208 G HN -0.182 8.365 8.290 0.031 -0.239 0.548 209 E N 3.195 123.395 120.200 -0.000 0.000 2.265 209 E HA -0.304 nan 4.350 nan 0.000 0.196 209 E C 2.222 178.809 176.600 -0.021 0.000 0.996 209 E CA 3.107 59.496 56.400 -0.019 0.000 0.832 209 E CB -0.326 29.365 29.700 -0.014 0.000 0.756 209 E HN 0.323 8.688 8.360 0.007 0.000 0.491 210 K N -0.399 119.996 120.400 -0.008 0.000 2.026 210 K HA -0.339 nan 4.320 nan 0.000 0.208 210 K C 2.248 178.838 176.600 -0.016 0.000 1.048 210 K CA 3.558 59.839 56.287 -0.010 0.000 0.929 210 K CB -0.224 32.277 32.500 0.001 0.000 0.713 210 K HN -0.091 8.123 8.250 0.001 0.037 0.439 211 D N -1.244 119.152 120.400 -0.008 0.000 2.263 211 D HA -0.147 nan 4.640 nan 0.000 0.208 211 D C 2.002 178.286 176.300 -0.027 0.000 0.971 211 D CA 3.256 57.252 54.000 -0.007 0.000 0.867 211 D CB -0.062 40.743 40.800 0.010 0.000 0.929 211 D HN -0.433 7.937 8.370 -0.001 0.000 0.492 212 V N -2.356 117.530 119.914 -0.047 0.000 2.649 212 V HA 0.031 nan 4.120 nan 0.000 0.248 212 V C 1.117 177.147 176.094 -0.108 0.000 1.054 212 V CA 2.725 64.973 62.300 -0.085 0.000 1.073 212 V CB -0.728 31.026 31.823 -0.115 0.000 0.699 212 V HN -0.415 7.594 8.190 -0.042 0.157 0.463 213 A N 1.256 124.023 122.820 -0.087 0.000 1.917 213 A HA -0.373 nan 4.320 nan 0.000 0.219 213 A C 1.963 179.500 177.584 -0.077 0.000 1.182 213 A CA 3.447 55.432 52.037 -0.088 0.000 0.633 213 A CB -0.781 18.183 19.000 -0.059 0.000 0.819 213 A HN 0.146 8.255 8.150 -0.069 0.000 0.448 214 R N -2.329 118.140 120.500 -0.053 0.000 2.062 214 R HA -0.352 nan 4.340 nan 0.000 0.231 214 R C 2.601 178.876 176.300 -0.041 0.000 1.136 214 R CA 3.234 59.311 56.100 -0.037 0.000 0.948 214 R CB 0.075 30.364 30.300 -0.018 0.000 0.845 214 R HN -0.008 8.236 8.270 -0.045 0.000 0.430 215 G N -2.439 106.336 108.800 -0.041 0.000 2.432 215 G HA2 -0.220 nan 3.960 nan 0.000 0.219 215 G HA3 -0.220 nan 3.960 nan 0.000 0.219 215 G C 1.162 176.025 174.900 -0.063 0.000 1.135 215 G CA 1.878 46.958 45.100 -0.033 0.000 0.767 215 G HN -0.358 7.907 8.290 -0.041 0.000 0.550 216 C N 0.361 119.592 119.300 -0.115 0.000 2.440 216 C HA -0.127 nan 4.460 nan 0.000 0.278 216 C C 2.257 177.176 174.990 -0.119 0.000 1.295 216 C CA 3.046 61.971 59.018 -0.155 0.000 1.738 216 C CB -1.096 26.507 27.740 -0.228 0.000 1.987 216 C HN 0.106 8.262 8.230 -0.124 0.000 0.492 217 G N -2.285 106.458 108.800 -0.095 0.000 3.159 217 G HA2 0.047 nan 3.960 nan 0.000 0.232 217 G HA3 0.047 nan 3.960 nan 0.000 0.232 217 G C 0.253 175.124 174.900 -0.048 0.000 1.116 217 G CA 0.659 45.714 45.100 -0.075 0.000 0.767 217 G HN -0.317 7.918 8.290 -0.091 0.000 0.547 218 Q N 0.446 120.224 119.800 -0.036 0.000 2.269 218 Q HA -0.104 nan 4.340 nan 0.000 0.201 218 Q C 0.913 176.905 176.000 -0.014 0.000 0.946 218 Q CA 0.859 56.649 55.803 -0.020 0.000 0.877 218 Q CB 0.181 28.912 28.738 -0.012 0.000 0.963 218 Q HN -0.328 7.918 8.270 -0.039 0.000 0.472 219 G N -0.469 108.323 108.800 -0.013 0.000 2.543 219 G HA2 0.138 nan 3.960 nan 0.000 0.267 219 G HA3 0.138 nan 3.960 nan 0.000 0.267 219 G C -0.480 174.416 174.900 -0.006 0.000 1.406 219 G CA -1.091 44.007 45.100 -0.003 0.000 1.048 219 G HN -0.582 7.696 8.290 -0.020 0.000 0.548 220 V N -6.658 113.257 119.914 0.001 0.000 2.951 220 V HA 0.056 nan 4.120 nan 0.000 0.255 220 V C 0.355 176.447 176.094 -0.003 0.000 1.088 220 V CA 1.406 63.706 62.300 0.001 0.000 1.109 220 V CB -0.241 31.586 31.823 0.007 0.000 0.724 220 V HN 0.364 8.558 8.190 0.007 0.000 0.471 221 T N 3.643 118.194 114.554 -0.005 0.000 2.749 221 T HA 0.168 nan 4.350 nan 0.000 0.287 221 T C -1.406 173.262 174.700 -0.052 0.000 0.970 221 T CA -0.026 62.061 62.100 -0.022 0.000 0.980 221 T CB 0.104 68.973 68.868 0.001 0.000 0.924 221 T HN -0.353 7.888 8.240 0.002 0.000 0.456 222 K N 5.776 126.124 120.400 -0.087 0.000 2.324 222 K HA 0.571 nan 4.320 nan 0.000 0.253 222 K C -1.980 174.506 176.600 -0.190 0.000 0.932 222 K CA -1.154 55.063 56.287 -0.117 0.000 0.799 222 K CB 2.885 35.326 32.500 -0.097 0.000 1.154 222 K HN -0.058 8.391 8.250 -0.087 -0.250 0.425 223 V N 3.673 123.447 119.914 -0.233 0.000 2.628 223 V HA 0.410 nan 4.120 nan 0.000 0.306 223 V C -2.210 173.663 176.094 -0.368 0.000 1.045 223 V CA -3.872 58.230 62.300 -0.329 0.000 0.905 223 V CB 1.746 33.383 31.823 -0.311 0.000 0.997 223 V HN -0.223 7.845 8.190 -0.203 0.000 0.436 224 P HA 0.061 nan 4.420 nan 0.000 0.265 224 P C -2.264 174.656 177.300 -0.634 0.000 1.193 224 P CA 0.003 62.648 63.100 -0.757 0.000 0.765 224 P CB 0.516 31.429 31.700 -1.311 0.000 0.823 225 Q N 3.041 122.497 119.800 -0.575 0.000 2.333 225 Q HA 0.595 nan 4.340 nan 0.000 0.265 225 Q C -1.901 173.926 176.000 -0.289 0.000 0.989 225 Q CA -1.873 53.713 55.803 -0.362 0.000 0.842 225 Q CB 3.016 31.599 28.738 -0.259 0.000 1.262 225 Q HN 0.179 8.076 8.270 -0.622 0.000 0.451 226 M N 6.842 126.330 119.600 -0.187 0.000 2.108 226 M HA 0.358 nan 4.480 nan 0.000 0.354 226 M C -1.200 175.015 176.300 -0.141 0.000 1.229 226 M CA -0.126 55.100 55.300 -0.123 0.000 1.081 226 M CB 1.382 33.852 32.600 -0.216 0.000 1.606 226 M HN -0.027 8.166 8.290 -0.161 0.000 0.467 227 I N 6.791 127.290 120.570 -0.119 0.000 2.428 227 I HA 0.145 nan 4.170 nan 0.000 0.289 227 I C -1.104 174.833 176.117 -0.301 0.000 1.019 227 I CA -0.684 60.533 61.300 -0.138 0.000 1.351 227 I CB 1.206 39.212 38.000 0.010 0.000 1.412 227 I HN 0.840 9.015 8.210 -0.058 0.000 0.513 228 S N 3.933 119.499 115.700 -0.223 0.000 2.513 228 S HA 0.088 nan 4.470 nan 0.000 0.276 228 S C 0.904 175.380 174.600 -0.208 0.000 1.254 228 S CA -0.879 57.177 58.200 -0.241 0.000 1.053 228 S CB 1.153 64.287 63.200 -0.110 0.000 0.958 228 S HN 0.108 8.337 8.310 -0.134 0.000 0.491 229 T N 8.162 122.581 114.554 -0.225 0.000 2.996 229 T HA -0.187 nan 4.350 nan 0.000 0.271 229 T C 0.559 175.384 174.700 0.208 0.000 1.126 229 T CA 3.069 65.219 62.100 0.082 0.000 1.103 229 T CB -0.098 68.865 68.868 0.158 0.000 0.870 229 T HN 0.299 8.309 8.240 -0.385 0.000 0.528 230 L N 1.505 122.809 121.223 0.135 0.000 2.839 230 L HA 0.228 nan 4.340 nan 0.000 0.259 230 L C -2.433 174.465 176.870 0.048 0.000 1.369 230 L CA -0.809 54.092 54.840 0.101 0.000 0.845 230 L CB 0.563 42.681 42.059 0.097 0.000 1.181 230 L HN -0.546 7.642 8.230 0.065 0.081 0.529 231 A N -0.654 122.200 122.820 0.057 0.000 2.312 231 A HA 0.433 nan 4.320 nan 0.000 0.328 231 A C -0.115 177.479 177.584 0.018 0.000 1.158 231 A CA -1.306 50.749 52.037 0.030 0.000 0.821 231 A CB 1.634 20.654 19.000 0.033 0.000 1.170 231 A HN -0.419 7.791 8.150 0.099 0.000 0.490 232 S N 0.333 116.027 115.700 -0.011 0.000 2.440 232 S HA -0.243 nan 4.470 nan 0.000 0.238 232 S C -0.205 174.405 174.600 0.017 0.000 1.010 232 S CA 2.853 61.037 58.200 -0.027 0.000 0.972 232 S CB 0.224 63.404 63.200 -0.034 0.000 0.774 232 S HN -0.012 8.428 8.310 -0.009 -0.135 0.501 233 C N -2.073 117.248 119.300 0.034 0.000 2.486 233 C HA 0.372 nan 4.460 nan 0.000 0.348 233 C C -1.247 173.784 174.990 0.069 0.000 1.203 233 C CA -1.772 57.274 59.018 0.046 0.000 1.911 233 C CB 3.193 30.954 27.740 0.034 0.000 2.340 233 C HN -0.448 7.779 8.230 0.035 0.023 0.511 234 S N 1.497 117.237 115.700 0.068 0.000 2.632 234 S HA 0.479 nan 4.470 nan 0.000 0.267 234 S C 0.001 174.652 174.600 0.084 0.000 1.276 234 S CA -1.931 56.318 58.200 0.081 0.000 0.998 234 S CB -0.194 63.042 63.200 0.059 0.000 0.953 234 S HN 0.051 8.659 8.310 0.055 -0.265 0.547 235 P HA -0.170 nan 4.420 nan 0.000 0.217 235 P C 0.855 178.185 177.300 0.050 0.000 1.150 235 P CA 2.685 65.850 63.100 0.108 0.000 0.832 235 P CB -0.048 31.727 31.700 0.124 0.000 0.787 236 E N -2.261 117.956 120.200 0.028 0.000 2.153 236 E HA -0.295 nan 4.350 nan 0.000 0.194 236 E C 2.187 178.796 176.600 0.015 0.000 0.988 236 E CA 2.921 59.328 56.400 0.011 0.000 0.811 236 E CB -1.736 27.964 29.700 0.000 0.000 0.746 236 E HN 0.616 8.993 8.360 0.029 0.000 0.466 237 E N 0.080 120.293 120.200 0.022 0.000 2.072 237 E HA -0.236 nan 4.350 nan 0.000 0.191 237 E C 2.614 179.222 176.600 0.013 0.000 0.985 237 E CA 2.366 58.776 56.400 0.017 0.000 0.801 237 E CB -0.181 29.532 29.700 0.022 0.000 0.750 237 E HN -0.854 7.521 8.360 0.030 0.002 0.452 238 I N -0.541 120.040 120.570 0.019 0.000 2.286 238 I HA -0.451 nan 4.170 nan 0.000 0.248 238 I C 1.871 177.988 176.117 0.000 0.000 1.115 238 I CA 3.877 65.182 61.300 0.009 0.000 1.392 238 I CB -0.080 37.932 38.000 0.020 0.000 1.065 238 I HN -0.761 7.467 8.210 0.031 0.000 0.418 239 I N -2.319 118.256 120.570 0.008 0.000 2.500 239 I HA -0.390 nan 4.170 nan 0.000 0.252 239 I C 2.660 178.773 176.117 -0.007 0.000 1.142 239 I CA 3.395 64.694 61.300 -0.001 0.000 1.451 239 I CB 0.112 38.116 38.000 0.007 0.000 1.093 239 I HN -0.089 8.132 8.210 0.018 0.000 0.430 240 E N 0.777 120.975 120.200 -0.003 0.000 2.110 240 E HA -0.303 nan 4.350 nan 0.000 0.193 240 E C 1.219 177.814 176.600 -0.008 0.000 0.988 240 E CA 2.744 59.141 56.400 -0.005 0.000 0.804 240 E CB -0.114 29.585 29.700 -0.002 0.000 0.745 240 E HN -0.378 7.982 8.360 0.001 0.000 0.458 241 A N -2.918 119.897 122.820 -0.008 0.000 2.235 241 A HA -0.051 nan 4.320 nan 0.000 0.208 241 A C -0.352 177.220 177.584 -0.020 0.000 1.172 241 A CA -0.199 51.832 52.037 -0.011 0.000 0.786 241 A CB -0.031 18.963 19.000 -0.010 0.000 0.804 241 A HN -0.471 7.555 8.150 -0.006 0.120 0.479 242 A N -0.285 122.520 122.820 -0.026 0.000 2.484 242 A HA 0.050 nan 4.320 nan 0.000 0.268 242 A C -1.550 176.016 177.584 -0.031 0.000 1.114 242 A CA -1.843 50.171 52.037 -0.038 0.000 0.780 242 A CB -0.504 18.470 19.000 -0.044 0.000 1.061 242 A HN -0.707 7.242 8.150 -0.022 0.188 0.505 243 P HA -0.003 nan 4.420 nan 0.000 0.241 243 P C -1.019 176.266 177.300 -0.025 0.000 1.191 243 P CA 0.353 63.438 63.100 -0.024 0.000 0.771 243 P CB 0.792 32.479 31.700 -0.021 0.000 0.929 244 S N 0.085 115.765 115.700 -0.033 0.000 2.502 244 S HA 0.184 nan 4.470 nan 0.000 0.304 244 S C 0.514 175.096 174.600 -0.030 0.000 1.097 244 S CA -2.097 56.085 58.200 -0.030 0.000 1.045 244 S CB 1.875 65.053 63.200 -0.035 0.000 1.019 244 S HN -0.119 8.551 8.310 -0.041 -0.384 0.481 245 D N 8.648 129.034 120.400 -0.022 0.000 2.264 245 D HA -0.134 nan 4.640 nan 0.000 0.208 245 D C 0.732 177.020 176.300 -0.021 0.000 0.966 245 D CA 2.184 56.172 54.000 -0.019 0.000 0.864 245 D CB -0.265 40.527 40.800 -0.013 0.000 0.933 245 D HN 0.616 8.975 8.370 -0.018 0.000 0.499 246 K N -3.689 116.698 120.400 -0.022 0.000 2.487 246 K HA -0.076 nan 4.320 nan 0.000 0.192 246 K C -0.082 176.495 176.600 -0.038 0.000 1.027 246 K CA 0.119 56.394 56.287 -0.020 0.000 1.054 246 K CB 0.398 32.890 32.500 -0.012 0.000 0.824 246 K HN -0.553 7.644 8.250 -0.022 0.040 0.510 247 Q N -0.464 119.301 119.800 -0.059 0.000 2.312 247 Q HA -0.053 nan 4.340 nan 0.000 0.236 247 Q C -0.896 175.035 176.000 -0.115 0.000 0.965 247 Q CA -0.430 55.314 55.803 -0.098 0.000 0.894 247 Q CB 1.107 29.778 28.738 -0.111 0.000 1.225 247 Q HN -0.625 7.463 8.270 -0.052 0.151 0.478 248 I N 1.347 121.803 120.570 -0.190 0.000 2.460 248 I HA 0.108 nan 4.170 nan 0.000 0.298 248 I C -1.125 174.782 176.117 -0.349 0.000 0.989 248 I CA -1.173 59.983 61.300 -0.240 0.000 1.173 248 I CB 2.146 39.960 38.000 -0.310 0.000 1.338 248 I HN 0.126 8.198 8.210 -0.229 0.000 0.456 249 Q N 3.446 123.100 119.800 -0.243 0.000 2.372 249 Q HA 0.623 nan 4.340 nan 0.000 0.273 249 Q C -1.736 174.287 176.000 0.039 0.000 1.078 249 Q CA -1.028 54.664 55.803 -0.185 0.000 0.806 249 Q CB 4.077 32.782 28.738 -0.056 0.000 1.332 249 Q HN 0.224 8.426 8.270 -0.113 0.000 0.435 250 W N 0.170 121.468 121.300 -0.004 0.000 2.844 250 W HA 0.676 nan 4.660 nan 0.000 0.340 250 W C -1.677 174.902 176.519 0.099 0.000 1.093 250 W CA -2.350 55.037 57.345 0.070 0.000 1.212 250 W CB 3.566 33.056 29.460 0.050 0.000 1.422 250 W HN 0.833 9.043 8.180 0.051 0.000 0.515 251 Y N 1.601 122.058 120.300 0.261 0.000 2.377 251 Y HA 0.429 nan 4.550 nan 0.000 0.339 251 Y C -2.484 173.492 175.900 0.127 0.000 1.011 251 Y CA -1.659 56.522 58.100 0.135 0.000 1.093 251 Y CB 3.751 42.262 38.460 0.085 0.000 1.201 251 Y HN 0.826 9.373 8.280 0.445 0.000 0.455 252 Q N 6.414 125.864 119.800 -0.582 0.000 2.316 252 Q HA 0.692 nan 4.340 nan 0.000 0.264 252 Q C -2.578 173.155 176.000 -0.444 0.000 0.987 252 Q CA -1.671 53.924 55.803 -0.347 0.000 0.852 252 Q CB 3.667 32.181 28.738 -0.373 0.000 1.287 252 Q HN 0.338 7.910 8.270 -1.163 0.000 0.448 253 L N 6.036 127.157 121.223 -0.170 0.000 2.385 253 L HA 0.408 nan 4.340 nan 0.000 0.273 253 L C -2.785 174.045 176.870 -0.066 0.000 0.990 253 L CA -0.739 54.102 54.840 0.002 0.000 0.821 253 L CB 3.740 45.889 42.059 0.151 0.000 1.279 253 L HN 0.507 8.657 8.230 -0.133 0.000 0.412 254 Y N 4.361 124.730 120.300 0.115 0.000 2.328 254 Y HA 0.109 nan 4.550 nan 0.000 0.337 254 Y C -1.055 174.900 175.900 0.091 0.000 1.008 254 Y CA -0.559 57.602 58.100 0.101 0.000 1.129 254 Y CB 0.684 39.225 38.460 0.135 0.000 1.185 254 Y HN 0.052 8.455 8.280 0.206 0.000 0.476 255 V N 4.950 124.985 119.914 0.201 0.000 2.498 255 V HA 0.220 nan 4.120 nan 0.000 0.279 255 V C -1.613 174.532 176.094 0.085 0.000 1.048 255 V CA -2.319 60.051 62.300 0.118 0.000 0.967 255 V CB 0.951 32.815 31.823 0.068 0.000 0.988 255 V HN 0.361 8.671 8.190 0.200 0.000 0.473 256 N N 7.728 126.452 118.700 0.039 0.000 2.467 256 N HA 0.147 nan 4.740 nan 0.000 0.262 256 N C 1.270 176.766 175.510 -0.023 0.000 1.234 256 N CA 0.480 53.508 53.050 -0.038 0.000 0.952 256 N CB 1.973 40.404 38.487 -0.092 0.000 1.158 256 N HN 0.096 8.504 8.380 0.047 0.000 0.463 257 S N 0.204 115.882 115.700 -0.036 0.000 2.474 257 S HA -0.265 nan 4.470 nan 0.000 0.235 257 S C -0.526 174.067 174.600 -0.012 0.000 0.997 257 S CA 3.140 61.330 58.200 -0.017 0.000 0.949 257 S CB 0.246 63.438 63.200 -0.014 0.000 0.766 257 S HN 0.516 8.794 8.310 -0.053 0.000 0.517 258 D N -0.433 119.955 120.400 -0.020 0.000 2.485 258 D HA 0.099 nan 4.640 nan 0.000 0.229 258 D C -0.136 176.162 176.300 -0.003 0.000 1.101 258 D CA -1.742 52.254 54.000 -0.005 0.000 0.906 258 D CB 0.253 41.052 40.800 -0.001 0.000 1.019 258 D HN -0.265 8.030 8.370 -0.040 0.051 0.516 259 R N 4.484 124.986 120.500 0.002 0.000 2.193 259 R HA -0.314 nan 4.340 nan 0.000 0.229 259 R C 1.865 178.168 176.300 0.005 0.000 1.110 259 R CA 1.857 57.960 56.100 0.006 0.000 0.988 259 R CB -0.592 29.713 30.300 0.007 0.000 0.871 259 R HN 0.329 8.601 8.270 0.003 0.000 0.458 260 K N 0.976 121.377 120.400 0.001 0.000 2.097 260 K HA -0.223 nan 4.320 nan 0.000 0.206 260 K C 2.085 178.680 176.600 -0.007 0.000 1.049 260 K CA 3.203 59.488 56.287 -0.003 0.000 0.933 260 K CB -0.331 32.166 32.500 -0.004 0.000 0.717 260 K HN -0.685 7.654 8.250 0.002 -0.087 0.442 261 I N -1.572 118.995 120.570 -0.005 0.000 2.163 261 I HA -0.531 nan 4.170 nan 0.000 0.243 261 I C 1.647 177.769 176.117 0.008 0.000 1.085 261 I CA 4.112 65.407 61.300 -0.008 0.000 1.347 261 I CB -0.355 37.653 38.000 0.012 0.000 1.044 261 I HN 0.129 8.387 8.210 -0.001 -0.048 0.408 262 T N 1.962 116.530 114.554 0.023 0.000 2.720 262 T HA -0.415 nan 4.350 nan 0.000 0.268 262 T C 1.668 176.378 174.700 0.017 0.000 1.037 262 T CA 5.197 67.321 62.100 0.040 0.000 1.144 262 T CB -0.902 67.993 68.868 0.045 0.000 0.864 262 T HN -0.445 7.806 8.240 0.018 0.000 0.444 263 D N 1.213 121.616 120.400 0.004 0.000 2.116 263 D HA -0.342 nan 4.640 nan 0.000 0.193 263 D C 1.767 178.055 176.300 -0.020 0.000 0.998 263 D CA 4.351 58.347 54.000 -0.006 0.000 0.836 263 D CB 0.064 40.860 40.800 -0.007 0.000 0.951 263 D HN -0.135 8.147 8.370 0.005 0.091 0.449 264 D N -0.324 120.060 120.400 -0.027 0.000 2.183 264 D HA -0.123 nan 4.640 nan 0.000 0.203 264 D C 2.723 178.989 176.300 -0.056 0.000 0.969 264 D CA 2.830 56.804 54.000 -0.042 0.000 0.842 264 D CB -0.232 40.539 40.800 -0.049 0.000 0.957 264 D HN 0.068 8.425 8.370 -0.022 0.000 0.484 265 L N 0.422 121.617 121.223 -0.047 0.000 2.083 265 L HA -0.308 nan 4.340 nan 0.000 0.209 265 L C 1.817 178.611 176.870 -0.127 0.000 1.083 265 L CA 3.204 58.002 54.840 -0.069 0.000 0.752 265 L CB -0.016 42.047 42.059 0.008 0.000 0.899 265 L HN -0.071 8.052 8.230 -0.025 0.092 0.433 266 V N -0.551 119.319 119.914 -0.074 0.000 2.358 266 V HA -0.528 nan 4.120 nan 0.000 0.246 266 V C 2.097 178.140 176.094 -0.086 0.000 1.047 266 V CA 4.940 67.192 62.300 -0.079 0.000 1.035 266 V CB -0.754 31.054 31.823 -0.025 0.000 0.658 266 V HN 0.336 8.504 8.190 -0.036 0.000 0.452 267 K N -1.817 118.544 120.400 -0.065 0.000 2.148 267 K HA -0.397 nan 4.320 nan 0.000 0.204 267 K C 2.003 178.560 176.600 -0.073 0.000 1.050 267 K CA 3.565 59.818 56.287 -0.056 0.000 0.942 267 K CB -0.413 32.061 32.500 -0.042 0.000 0.724 267 K HN -0.410 7.807 8.250 -0.054 0.000 0.446 268 N N -0.042 118.602 118.700 -0.094 0.000 2.106 268 N HA -0.203 nan 4.740 nan 0.000 0.188 268 N C 1.976 177.407 175.510 -0.132 0.000 1.029 268 N CA 3.228 56.217 53.050 -0.102 0.000 0.848 268 N CB 0.756 39.180 38.487 -0.105 0.000 1.007 268 N HN -0.377 7.943 8.380 -0.094 0.004 0.423 269 V N -4.095 115.688 119.914 -0.219 0.000 2.970 269 V HA -0.196 nan 4.120 nan 0.000 0.260 269 V C 1.416 177.436 176.094 -0.122 0.000 1.100 269 V CA 2.358 64.512 62.300 -0.242 0.000 1.122 269 V CB -1.388 30.110 31.823 -0.543 0.000 0.721 269 V HN -0.046 7.986 8.190 -0.262 0.000 0.483 270 E N 1.043 121.190 120.200 -0.088 0.000 2.072 270 E HA -0.308 nan 4.350 nan 0.000 0.191 270 E C 2.867 179.447 176.600 -0.033 0.000 0.985 270 E CA 3.199 59.574 56.400 -0.042 0.000 0.801 270 E CB -0.384 29.296 29.700 -0.034 0.000 0.750 270 E HN -0.144 8.155 8.360 -0.102 0.000 0.452 271 K N 0.423 120.798 120.400 -0.042 0.000 2.057 271 K HA -0.210 nan 4.320 nan 0.000 0.206 271 K C 2.058 178.641 176.600 -0.028 0.000 1.050 271 K CA 2.141 58.409 56.287 -0.032 0.000 0.935 271 K CB -0.172 32.307 32.500 -0.035 0.000 0.715 271 K HN -0.697 7.520 8.250 -0.054 0.000 0.439 272 L N -3.871 117.330 121.223 -0.038 0.000 2.450 272 L HA -0.202 nan 4.340 nan 0.000 0.224 272 L C 0.553 177.416 176.870 -0.011 0.000 1.149 272 L CA 1.105 55.929 54.840 -0.027 0.000 0.816 272 L CB 0.212 42.249 42.059 -0.037 0.000 0.932 272 L HN -0.294 7.903 8.230 -0.055 0.000 0.449 273 G N -3.774 105.023 108.800 -0.005 0.000 2.179 273 G HA2 -0.313 nan 3.960 nan 0.000 0.220 273 G HA3 -0.313 nan 3.960 nan 0.000 0.220 273 G C -1.128 173.793 174.900 0.035 0.000 0.990 273 G CA -0.325 44.782 45.100 0.011 0.000 0.646 273 G HN -0.478 7.625 8.290 -0.013 0.180 0.517 274 V N -3.096 116.846 119.914 0.047 0.000 2.740 274 V HA 0.155 nan 4.120 nan 0.000 0.303 274 V C -0.317 175.859 176.094 0.136 0.000 1.054 274 V CA -1.001 61.365 62.300 0.109 0.000 1.106 274 V CB -0.386 31.529 31.823 0.155 0.000 0.957 274 V HN -0.751 7.452 8.190 0.022 0.000 0.486 275 K N 5.535 126.065 120.400 0.218 0.000 2.418 275 K HA -0.055 nan 4.320 nan 0.000 0.195 275 K C -0.748 175.955 176.600 0.172 0.000 1.035 275 K CA 1.387 57.804 56.287 0.217 0.000 1.003 275 K CB 0.658 33.327 32.500 0.281 0.000 0.793 275 K HN 0.632 9.036 8.250 0.256 0.000 0.494 276 A N -4.176 118.738 122.820 0.157 0.000 2.610 276 A HA 0.370 nan 4.320 nan 0.000 0.291 276 A C -2.641 174.902 177.584 -0.069 0.000 1.086 276 A CA -0.750 51.220 52.037 -0.110 0.000 0.677 276 A CB 3.102 21.807 19.000 -0.492 0.000 1.278 276 A HN -0.749 7.579 8.150 0.297 0.000 0.414 277 L N -0.882 120.228 121.223 -0.189 0.000 2.276 277 L HA 0.679 nan 4.340 nan 0.000 0.286 277 L C -1.681 175.041 176.870 -0.247 0.000 1.024 277 L CA -1.421 53.373 54.840 -0.077 0.000 0.826 277 L CB 1.956 43.994 42.059 -0.035 0.000 1.211 277 L HN 0.733 8.684 8.230 -0.288 0.106 0.422 278 F N 5.071 124.933 119.950 -0.146 0.000 2.391 278 F HA 0.326 nan 4.527 nan 0.000 0.359 278 F C -1.007 174.709 175.800 -0.139 0.000 1.122 278 F CA -0.621 57.265 58.000 -0.190 0.000 1.120 278 F CB 0.724 39.573 39.000 -0.252 0.000 1.142 278 F HN 0.827 9.154 8.300 0.229 0.110 0.483 279 V N 6.801 126.703 119.914 -0.020 0.000 2.406 279 V HA 0.263 nan 4.120 nan 0.000 0.272 279 V C -0.576 175.508 176.094 -0.017 0.000 1.043 279 V CA -0.349 61.940 62.300 -0.019 0.000 0.915 279 V CB 0.111 31.917 31.823 -0.029 0.000 0.988 279 V HN 0.856 9.002 8.190 -0.074 0.000 0.466 280 T N 10.268 124.794 114.554 -0.047 0.000 2.727 280 T HA 0.250 nan 4.350 nan 0.000 0.298 280 T C 0.502 175.266 174.700 0.106 0.000 0.942 280 T CA 0.532 62.633 62.100 0.002 0.000 0.997 280 T CB -0.465 68.313 68.868 -0.150 0.000 0.917 280 T HN 0.336 8.512 8.240 -0.106 0.000 0.487 281 V N 1.026 120.978 119.914 0.062 0.000 3.621 281 V HA 0.408 nan 4.120 nan 0.000 0.285 281 V C -0.220 175.901 176.094 0.044 0.000 1.346 281 V CA 0.412 62.725 62.300 0.022 0.000 1.104 281 V CB 0.337 32.104 31.823 -0.094 0.000 0.913 281 V HN 0.451 8.670 8.190 0.048 0.000 0.432 282 D N -0.404 120.059 120.400 0.106 0.000 2.370 282 D HA -0.045 nan 4.640 nan 0.000 0.230 282 D C -0.777 175.558 176.300 0.058 0.000 1.143 282 D CA -0.413 53.639 54.000 0.087 0.000 0.834 282 D CB -1.370 39.505 40.800 0.126 0.000 0.944 282 D HN -0.274 8.186 8.370 0.150 0.000 0.504 283 A N -2.189 120.663 122.820 0.052 0.000 3.234 283 A HA 0.348 nan 4.320 nan 0.000 0.247 283 A C -1.321 176.227 177.584 -0.060 0.000 0.938 283 A CA -1.609 50.403 52.037 -0.042 0.000 1.039 283 A CB -0.607 18.347 19.000 -0.076 0.000 1.197 283 A HN -0.303 7.831 8.150 0.089 0.069 0.498 284 P HA -0.187 nan 4.420 nan 0.000 0.217 284 P C -0.048 177.210 177.300 -0.069 0.000 1.158 284 P CA 1.558 64.630 63.100 -0.047 0.000 0.887 284 P CB 0.297 31.977 31.700 -0.032 0.000 0.792 285 S N -3.894 111.761 115.700 -0.075 0.000 2.500 285 S HA 0.105 nan 4.470 nan 0.000 0.301 285 S C -1.052 173.480 174.600 -0.113 0.000 1.092 285 S CA -1.914 56.237 58.200 -0.082 0.000 1.030 285 S CB 1.449 64.616 63.200 -0.055 0.000 1.031 285 S HN -0.732 7.514 8.310 -0.070 0.022 0.483 286 L N 5.407 126.552 121.223 -0.130 0.000 2.439 286 L HA 0.086 nan 4.340 nan 0.000 0.269 286 L C -0.383 176.414 176.870 -0.122 0.000 1.179 286 L CA 0.000 54.748 54.840 -0.153 0.000 0.828 286 L CB 0.755 42.724 42.059 -0.152 0.000 1.106 286 L HN -0.248 7.910 8.230 -0.120 0.000 0.467 287 G N 0.716 109.432 108.800 -0.140 0.000 2.467 287 G HA2 -0.006 nan 3.960 nan 0.000 0.257 287 G HA3 -0.006 nan 3.960 nan 0.000 0.257 287 G C -1.782 173.070 174.900 -0.079 0.000 1.227 287 G CA -0.867 44.171 45.100 -0.104 0.000 0.835 287 G HN -0.065 8.115 8.290 -0.184 0.000 0.556 288 Q N 1.708 121.478 119.800 -0.050 0.000 2.300 288 Q HA -0.197 nan 4.340 nan 0.000 0.262 288 Q C -0.573 175.399 176.000 -0.046 0.000 1.109 288 Q CA 0.006 55.786 55.803 -0.037 0.000 0.905 288 Q CB 0.159 28.890 28.738 -0.012 0.000 1.280 288 Q HN 0.387 8.634 8.270 -0.038 0.000 0.426 289 R N 7.201 127.664 120.500 -0.061 0.000 2.247 289 R HA 0.247 nan 4.340 nan 0.000 0.329 289 R C 0.343 176.605 176.300 -0.062 0.000 1.014 289 R CA -0.978 55.079 56.100 -0.072 0.000 0.907 289 R CB 0.650 30.888 30.300 -0.104 0.000 1.146 289 R HN 0.332 8.566 8.270 -0.061 0.000 0.499 290 E N 6.053 126.227 120.200 -0.043 0.000 2.153 290 E HA -0.370 nan 4.350 nan 0.000 0.194 290 E C 1.308 177.879 176.600 -0.049 0.000 0.988 290 E CA 3.677 60.056 56.400 -0.034 0.000 0.811 290 E CB -0.192 29.508 29.700 0.001 0.000 0.746 290 E HN 0.388 8.727 8.360 -0.034 0.000 0.466 291 K N -2.155 118.216 120.400 -0.048 0.000 2.147 291 K HA -0.308 nan 4.320 nan 0.000 0.205 291 K C 2.420 178.982 176.600 -0.064 0.000 1.049 291 K CA 3.019 59.279 56.287 -0.044 0.000 0.936 291 K CB -0.402 32.068 32.500 -0.050 0.000 0.722 291 K HN 0.168 8.387 8.250 -0.052 0.000 0.446 292 D N 0.624 120.980 120.400 -0.073 0.000 2.085 292 D HA -0.159 nan 4.640 nan 0.000 0.199 292 D C 2.010 178.221 176.300 -0.148 0.000 0.981 292 D CA 3.514 57.474 54.000 -0.067 0.000 0.834 292 D CB 0.063 40.856 40.800 -0.012 0.000 0.992 292 D HN -0.627 7.685 8.370 -0.074 0.014 0.457 293 M N -0.952 118.534 119.600 -0.191 0.000 2.116 293 M HA -0.458 nan 4.480 nan 0.000 0.255 293 M C 1.991 177.889 176.300 -0.669 0.000 1.075 293 M CA 3.777 58.840 55.300 -0.395 0.000 1.087 293 M CB -0.037 32.406 32.600 -0.262 0.000 1.340 293 M HN -0.533 7.679 8.290 -0.130 0.000 0.402 294 K N -1.998 118.205 120.400 -0.329 0.000 2.097 294 K HA -0.190 nan 4.320 nan 0.000 0.205 294 K C 2.351 178.848 176.600 -0.172 0.000 1.050 294 K CA 2.749 58.917 56.287 -0.198 0.000 0.938 294 K CB 0.264 32.752 32.500 -0.021 0.000 0.718 294 K HN -0.092 8.028 8.250 -0.191 0.016 0.442 295 L N -0.169 120.964 121.223 -0.150 0.000 2.156 295 L HA -0.218 nan 4.340 nan 0.000 0.208 295 L C 1.221 178.044 176.870 -0.078 0.000 1.095 295 L CA 2.516 57.308 54.840 -0.079 0.000 0.770 295 L CB 0.156 42.174 42.059 -0.069 0.000 0.914 295 L HN -0.190 7.832 8.230 -0.155 0.115 0.439 296 K N -1.609 118.689 120.400 -0.169 0.000 2.611 296 K HA -0.218 nan 4.320 nan 0.000 0.193 296 K C 0.183 176.848 176.600 0.107 0.000 1.026 296 K CA 2.203 58.462 56.287 -0.046 0.000 1.063 296 K CB -0.561 31.872 32.500 -0.112 0.000 0.839 296 K HN -0.296 7.792 8.250 -0.270 0.000 0.505 297 F N -3.260 116.765 119.950 0.125 0.000 2.724 297 F HA 0.203 nan 4.527 nan 0.000 0.310 297 F C -0.521 175.322 175.800 0.072 0.000 1.107 297 F CA -1.093 56.974 58.000 0.112 0.000 1.218 297 F CB -0.108 38.942 39.000 0.084 0.000 1.042 297 F HN -0.570 7.532 8.300 -0.008 0.193 0.540 322 L N -0.096 121.095 121.223 -0.052 0.000 2.431 322 L HA 0.355 nan 4.340 nan 0.000 0.260 322 L C -0.736 176.099 176.870 -0.058 0.000 1.098 322 L CA -0.338 54.471 54.840 -0.051 0.000 0.800 322 L CB 1.529 43.567 42.059 -0.034 0.000 1.210 322 L HN -0.310 7.894 8.230 -0.042 0.000 0.465 323 S N -2.126 113.544 115.700 -0.049 0.000 2.663 323 S HA 0.199 nan 4.470 nan 0.000 0.264 323 S C -0.567 174.028 174.600 -0.008 0.000 1.112 323 S CA -0.692 57.484 58.200 -0.040 0.000 0.823 323 S CB 2.185 65.346 63.200 -0.064 0.000 1.111 323 S HN 0.087 8.370 8.310 -0.045 0.000 0.476 324 K N -0.850 119.559 120.400 0.016 0.000 2.393 324 K HA 0.221 nan 4.320 nan 0.000 0.193 324 K C 1.128 177.734 176.600 0.010 0.000 1.026 324 K CA 0.684 56.977 56.287 0.010 0.000 1.064 324 K CB 0.610 33.113 32.500 0.005 0.000 0.833 324 K HN 0.418 8.971 8.250 0.015 -0.295 0.521 325 F N -0.070 119.817 119.950 -0.105 0.000 2.171 325 F HA -0.281 nan 4.527 nan 0.000 0.300 325 F C 0.124 175.865 175.800 -0.099 0.000 1.090 325 F CA 3.974 61.901 58.000 -0.123 0.000 1.293 325 F CB 0.910 39.785 39.000 -0.208 0.000 1.013 325 F HN -0.814 7.546 8.300 0.197 0.058 0.486 326 I N -1.983 118.628 120.570 0.068 0.000 2.420 326 I HA -0.045 nan 4.170 nan 0.000 0.282 326 I C -2.465 173.644 176.117 -0.013 0.000 1.019 326 I CA -1.442 59.848 61.300 -0.016 0.000 1.130 326 I CB 1.442 39.312 38.000 -0.215 0.000 1.262 326 I HN -0.800 7.419 8.210 0.047 0.019 0.454 327 D N 8.125 128.530 120.400 0.007 0.000 2.371 327 D HA 0.053 nan 4.640 nan 0.000 0.256 327 D C -0.047 176.247 176.300 -0.009 0.000 1.193 327 D CA -2.271 51.727 54.000 -0.003 0.000 0.881 327 D CB 1.823 42.624 40.800 0.002 0.000 1.143 327 D HN 0.139 8.527 8.370 0.030 0.000 0.473 328 P HA 0.045 nan 4.420 nan 0.000 0.241 328 P C -0.700 176.590 177.300 -0.016 0.000 1.191 328 P CA 0.696 63.784 63.100 -0.020 0.000 0.771 328 P CB -0.028 31.658 31.700 -0.023 0.000 0.929 329 S N -0.960 114.733 115.700 -0.011 0.000 2.597 329 S HA 0.044 nan 4.470 nan 0.000 0.224 329 S C -0.027 174.563 174.600 -0.017 0.000 0.955 329 S CA -0.607 57.587 58.200 -0.009 0.000 0.933 329 S CB 0.093 63.293 63.200 -0.001 0.000 0.788 329 S HN -0.371 8.312 8.310 -0.009 -0.378 0.488 330 L N 1.725 122.930 121.223 -0.029 0.000 2.543 330 L HA -0.202 nan 4.340 nan 0.000 0.285 330 L C -0.511 176.307 176.870 -0.085 0.000 1.236 330 L CA 1.542 56.352 54.840 -0.049 0.000 0.871 330 L CB 0.186 42.212 42.059 -0.056 0.000 1.121 330 L HN -0.700 7.444 8.230 -0.025 0.070 0.501 331 T N 5.438 119.940 114.554 -0.087 0.000 2.864 331 T HA 0.297 nan 4.350 nan 0.000 0.299 331 T C 0.190 174.839 174.700 -0.086 0.000 1.166 331 T CA -0.563 61.492 62.100 -0.075 0.000 1.007 331 T CB 2.503 71.387 68.868 0.026 0.000 1.219 331 T HN -0.260 8.119 8.240 -0.067 -0.180 0.506 332 W N 1.750 123.060 121.300 0.016 0.000 2.341 332 W HA -0.290 nan 4.660 nan 0.000 0.283 332 W C 1.529 178.053 176.519 0.009 0.000 1.215 332 W CA 3.072 60.425 57.345 0.012 0.000 1.211 332 W CB -0.140 29.326 29.460 0.010 0.000 1.131 332 W HN 0.345 8.576 8.180 0.086 0.000 0.552 333 K N -1.017 119.509 120.400 0.210 0.000 2.057 333 K HA -0.297 nan 4.320 nan 0.000 0.206 333 K C 1.468 178.116 176.600 0.081 0.000 1.050 333 K CA 2.648 59.009 56.287 0.124 0.000 0.935 333 K CB -1.108 31.445 32.500 0.088 0.000 0.715 333 K HN 0.088 8.441 8.250 0.208 0.022 0.439 334 D N -1.315 119.116 120.400 0.051 0.000 2.265 334 D HA -0.217 nan 4.640 nan 0.000 0.208 334 D C 2.280 178.595 176.300 0.025 0.000 0.977 334 D CA 3.164 57.179 54.000 0.025 0.000 0.871 334 D CB -0.212 40.588 40.800 -0.000 0.000 0.925 334 D HN -0.438 7.959 8.370 0.046 0.000 0.485 335 I N -0.954 119.642 120.570 0.042 0.000 2.480 335 I HA -0.208 nan 4.170 nan 0.000 0.251 335 I C 1.687 177.840 176.117 0.060 0.000 1.124 335 I CA 0.602 61.926 61.300 0.041 0.000 1.444 335 I CB -0.577 37.455 38.000 0.053 0.000 1.098 335 I HN -0.525 7.578 8.210 0.071 0.150 0.428 336 E N 0.981 121.232 120.200 0.084 0.000 2.038 336 E HA -0.418 nan 4.350 nan 0.000 0.195 336 E C 2.593 179.216 176.600 0.039 0.000 1.000 336 E CA 3.851 60.288 56.400 0.062 0.000 0.803 336 E CB -0.347 29.392 29.700 0.065 0.000 0.750 336 E HN -0.630 7.800 8.360 0.116 0.000 0.448 337 E N -2.043 118.178 120.200 0.036 0.000 2.153 337 E HA -0.265 nan 4.350 nan 0.000 0.194 337 E C 2.864 179.474 176.600 0.017 0.000 0.988 337 E CA 2.340 58.754 56.400 0.023 0.000 0.811 337 E CB -0.429 29.285 29.700 0.022 0.000 0.746 337 E HN -0.407 7.980 8.360 0.044 0.000 0.466 338 L N -0.290 120.943 121.223 0.017 0.000 2.141 338 L HA -0.236 nan 4.340 nan 0.000 0.209 338 L C 2.055 178.928 176.870 0.004 0.000 1.094 338 L CA 2.699 57.545 54.840 0.009 0.000 0.763 338 L CB -0.374 41.690 42.059 0.008 0.000 0.908 338 L HN -0.400 7.749 8.230 0.022 0.095 0.437 339 K N -0.702 119.703 120.400 0.007 0.000 2.057 339 K HA -0.370 nan 4.320 nan 0.000 0.207 339 K C 2.195 178.795 176.600 -0.001 0.000 1.049 339 K CA 3.725 60.012 56.287 0.001 0.000 0.931 339 K CB -0.365 32.138 32.500 0.005 0.000 0.714 339 K HN 0.021 8.183 8.250 0.016 0.098 0.440 340 K N -1.004 119.398 120.400 0.004 0.000 2.152 340 K HA -0.229 nan 4.320 nan 0.000 0.206 340 K C 1.691 178.291 176.600 -0.001 0.000 1.048 340 K CA 2.476 58.764 56.287 0.002 0.000 0.933 340 K CB -0.306 32.197 32.500 0.005 0.000 0.721 340 K HN -0.637 7.618 8.250 0.009 0.000 0.447 341 K N -3.665 116.734 120.400 -0.002 0.000 2.487 341 K HA 0.101 nan 4.320 nan 0.000 0.192 341 K C -1.015 175.579 176.600 -0.009 0.000 1.027 341 K CA -0.937 55.348 56.287 -0.004 0.000 1.054 341 K CB 0.180 32.678 32.500 -0.003 0.000 0.824 341 K HN -0.536 7.560 8.250 0.000 0.154 0.510 342 T N -2.474 112.074 114.554 -0.010 0.000 2.894 342 T HA 0.303 nan 4.350 nan 0.000 0.309 342 T C -1.411 173.279 174.700 -0.016 0.000 1.208 342 T CA -0.901 61.191 62.100 -0.015 0.000 1.016 342 T CB 1.753 70.611 68.868 -0.017 0.000 1.192 342 T HN -0.238 7.854 8.240 -0.009 0.142 0.491 343 K N 4.682 125.072 120.400 -0.016 0.000 2.358 343 K HA 0.208 nan 4.320 nan 0.000 0.197 343 K C -0.122 176.467 176.600 -0.019 0.000 1.025 343 K CA -0.451 55.827 56.287 -0.015 0.000 1.104 343 K CB 0.244 32.738 32.500 -0.010 0.000 0.855 343 K HN 0.234 8.699 8.250 -0.016 -0.224 0.531 344 L N 2.629 123.837 121.223 -0.025 0.000 2.418 344 L HA 0.323 nan 4.340 nan 0.000 0.265 344 L C -1.536 175.295 176.870 -0.065 0.000 1.143 344 L CA -2.106 52.715 54.840 -0.033 0.000 0.809 344 L CB -0.386 41.659 42.059 -0.023 0.000 1.124 344 L HN -0.702 7.459 8.230 -0.025 0.053 0.456 345 P HA 0.137 nan 4.420 nan 0.000 0.271 345 P C -1.946 175.229 177.300 -0.208 0.000 1.216 345 P CA -0.199 62.821 63.100 -0.135 0.000 0.776 345 P CB 0.294 31.905 31.700 -0.147 0.000 0.881 346 I N 2.520 122.978 120.570 -0.187 0.000 2.336 346 I HA 0.487 nan 4.170 nan 0.000 0.292 346 I C -1.160 174.782 176.117 -0.292 0.000 0.991 346 I CA -1.136 60.039 61.300 -0.210 0.000 1.227 346 I CB 0.772 38.710 38.000 -0.105 0.000 1.366 346 I HN -0.338 7.788 8.210 -0.141 0.000 0.466 347 V N 7.825 127.459 119.914 -0.467 0.000 2.444 347 V HA 0.516 nan 4.120 nan 0.000 0.294 347 V C -0.952 175.007 176.094 -0.226 0.000 1.022 347 V CA -1.438 60.592 62.300 -0.450 0.000 0.850 347 V CB 2.255 33.457 31.823 -1.034 0.000 0.992 347 V HN 1.075 8.852 8.190 -0.519 0.102 0.426 348 I N 8.193 128.724 120.570 -0.064 0.000 2.436 348 I HA 0.072 nan 4.170 nan 0.000 0.289 348 I C -1.501 174.650 176.117 0.057 0.000 1.083 348 I CA 0.474 61.769 61.300 -0.009 0.000 1.372 348 I CB 0.413 38.425 38.000 0.020 0.000 1.408 348 I HN 0.071 8.261 8.210 -0.033 0.000 0.516 349 K N 8.988 129.431 120.400 0.072 0.000 2.293 349 K HA 0.337 nan 4.320 nan 0.000 0.267 349 K C -0.605 176.049 176.600 0.091 0.000 1.010 349 K CA -1.057 55.302 56.287 0.120 0.000 0.875 349 K CB 1.177 33.749 32.500 0.121 0.000 1.106 349 K HN 0.723 8.895 8.250 0.039 0.102 0.450 350 G N 5.480 114.343 108.800 0.105 0.000 2.165 350 G HA2 -0.269 nan 3.960 nan 0.000 0.144 350 G HA3 -0.269 nan 3.960 nan 0.000 0.144 350 G C -1.504 173.452 174.900 0.093 0.000 1.049 350 G CA -0.468 44.694 45.100 0.103 0.000 0.741 350 G HN 0.248 8.611 8.290 0.123 0.000 0.493 351 V N -0.249 119.728 119.914 0.105 0.000 2.649 351 V HA -0.020 nan 4.120 nan 0.000 0.292 351 V C -0.382 175.772 176.094 0.101 0.000 1.055 351 V CA 0.404 62.771 62.300 0.112 0.000 1.023 351 V CB 0.574 32.477 31.823 0.134 0.000 0.992 351 V HN -0.705 7.556 8.190 0.117 0.000 0.480 352 Q N 1.739 121.596 119.800 0.095 0.000 2.064 352 Q HA 0.270 nan 4.340 nan 0.000 0.213 352 Q C -1.551 174.492 176.000 0.072 0.000 0.779 352 Q CA -0.279 55.571 55.803 0.079 0.000 1.032 352 Q CB 2.149 30.931 28.738 0.073 0.000 1.203 352 Q HN 0.515 8.848 8.270 0.106 0.000 0.457 353 R N -5.245 115.302 120.500 0.079 0.000 2.716 353 R HA 0.260 nan 4.340 nan 0.000 0.271 353 R C 0.164 176.503 176.300 0.066 0.000 1.028 353 R CA -1.064 55.075 56.100 0.066 0.000 0.883 353 R CB 1.467 31.806 30.300 0.065 0.000 1.250 353 R HN -0.604 7.723 8.270 0.094 0.000 0.465 354 T N 2.622 117.204 114.554 0.047 0.000 2.867 354 T HA -0.179 nan 4.350 nan 0.000 0.268 354 T C 1.665 176.384 174.700 0.031 0.000 1.057 354 T CA 4.325 66.447 62.100 0.036 0.000 1.136 354 T CB -0.396 68.486 68.868 0.023 0.000 0.874 354 T HN 0.676 8.940 8.240 0.041 0.000 0.466 355 E N 0.190 120.409 120.200 0.032 0.000 2.118 355 E HA -0.287 nan 4.350 nan 0.000 0.195 355 E C 2.068 178.679 176.600 0.018 0.000 0.992 355 E CA 3.863 60.272 56.400 0.015 0.000 0.804 355 E CB -0.583 29.129 29.700 0.021 0.000 0.741 355 E HN 0.537 8.899 8.360 0.038 0.021 0.458 356 D N -1.886 118.568 120.400 0.089 0.000 2.348 356 D HA 0.041 nan 4.640 nan 0.000 0.211 356 D C 1.852 178.245 176.300 0.156 0.000 0.998 356 D CA 2.252 56.357 54.000 0.175 0.000 0.873 356 D CB 0.094 41.089 40.800 0.325 0.000 0.925 356 D HN -0.500 7.914 8.370 0.099 0.015 0.524 357 V N 1.362 121.330 119.914 0.091 0.000 2.407 357 V HA -0.261 nan 4.120 nan 0.000 0.245 357 V C 1.576 177.683 176.094 0.021 0.000 1.041 357 V CA 3.987 66.332 62.300 0.076 0.000 1.040 357 V CB -0.140 31.716 31.823 0.055 0.000 0.671 357 V HN -0.401 7.664 8.190 0.072 0.168 0.455 358 I N -0.395 120.165 120.570 -0.017 0.000 2.202 358 I HA -0.612 nan 4.170 nan 0.000 0.242 358 I C 1.446 177.487 176.117 -0.126 0.000 1.091 358 I CA 4.821 66.087 61.300 -0.057 0.000 1.368 358 I CB -0.096 37.872 38.000 -0.055 0.000 1.058 358 I HN -0.166 8.041 8.210 -0.006 0.000 0.410 359 K N -0.330 119.938 120.400 -0.220 0.000 2.020 359 K HA -0.484 nan 4.320 nan 0.000 0.212 359 K C 1.952 178.284 176.600 -0.447 0.000 1.050 359 K CA 3.927 59.919 56.287 -0.492 0.000 0.929 359 K CB -0.143 31.818 32.500 -0.898 0.000 0.714 359 K HN -0.066 8.083 8.250 -0.168 0.000 0.443 360 A N -2.076 120.629 122.820 -0.192 0.000 1.917 360 A HA -0.289 nan 4.320 nan 0.000 0.219 360 A C 1.995 179.588 177.584 0.016 0.000 1.182 360 A CA 2.961 55.054 52.037 0.094 0.000 0.633 360 A CB -0.902 18.239 19.000 0.235 0.000 0.819 360 A HN -0.408 7.687 8.150 -0.092 0.000 0.448 361 A N -2.746 120.062 122.820 -0.021 0.000 1.972 361 A HA -0.312 nan 4.320 nan 0.000 0.219 361 A C 2.167 179.723 177.584 -0.046 0.000 1.169 361 A CA 2.837 54.858 52.037 -0.026 0.000 0.635 361 A CB -0.694 18.288 19.000 -0.030 0.000 0.810 361 A HN -0.074 7.978 8.150 -0.028 0.081 0.446 362 E N -2.275 117.873 120.200 -0.087 0.000 2.076 362 E HA -0.207 nan 4.350 nan 0.000 0.190 362 E C 2.123 178.680 176.600 -0.072 0.000 0.979 362 E CA 2.118 58.464 56.400 -0.091 0.000 0.807 362 E CB 0.239 29.858 29.700 -0.136 0.000 0.761 362 E HN -0.374 7.791 8.360 -0.122 0.122 0.454 363 I N -8.871 111.658 120.570 -0.069 0.000 3.444 363 I HA -0.005 nan 4.170 nan 0.000 0.287 363 I C -0.431 175.694 176.117 0.014 0.000 1.302 363 I CA -0.036 61.259 61.300 -0.008 0.000 1.368 363 I CB -0.464 37.576 38.000 0.067 0.000 1.048 363 I HN -0.260 7.884 8.210 -0.109 0.000 0.487 364 G N -0.525 108.275 108.800 0.000 0.000 2.351 364 G HA2 -0.494 nan 3.960 nan 0.000 0.297 364 G HA3 -0.494 nan 3.960 nan 0.000 0.297 364 G C -0.631 174.274 174.900 0.008 0.000 1.054 364 G CA 0.321 45.421 45.100 0.000 0.000 1.123 364 G HN -0.671 7.417 8.290 -0.014 0.194 0.512 365 V N -1.395 118.530 119.914 0.018 0.000 3.211 365 V HA 0.386 nan 4.120 nan 0.000 0.319 365 V C -0.179 175.903 176.094 -0.019 0.000 1.096 365 V CA -2.273 60.032 62.300 0.008 0.000 1.029 365 V CB 2.777 34.630 31.823 0.049 0.000 1.137 365 V HN -0.608 7.596 8.190 0.023 0.000 0.453 366 S N 0.081 115.748 115.700 -0.055 0.000 2.501 366 S HA 0.153 nan 4.470 nan 0.000 0.220 366 S C -0.503 174.068 174.600 -0.048 0.000 0.997 366 S CA 1.394 59.558 58.200 -0.060 0.000 0.919 366 S CB 1.101 64.246 63.200 -0.092 0.000 0.778 366 S HN 0.372 8.633 8.310 -0.082 0.000 0.523 367 G N -1.661 107.116 108.800 -0.040 0.000 2.451 367 G HA2 0.231 nan 3.960 nan 0.000 0.292 367 G HA3 0.231 nan 3.960 nan 0.000 0.292 367 G C -3.851 171.081 174.900 0.054 0.000 1.427 367 G CA 0.659 45.767 45.100 0.015 0.000 0.792 367 G HN -0.906 7.349 8.290 -0.059 0.000 0.498 368 V N -1.107 118.881 119.914 0.123 0.000 2.709 368 V HA 0.719 nan 4.120 nan 0.000 0.308 368 V C -1.657 174.594 176.094 0.260 0.000 1.062 368 V CA -1.563 60.828 62.300 0.151 0.000 0.901 368 V CB 4.420 36.314 31.823 0.119 0.000 1.003 368 V HN 0.107 8.369 8.190 0.120 0.000 0.425 369 V N 7.857 127.937 119.914 0.276 0.000 2.333 369 V HA 0.511 nan 4.120 nan 0.000 0.274 369 V C -0.716 175.510 176.094 0.220 0.000 1.028 369 V CA -1.462 61.038 62.300 0.334 0.000 0.851 369 V CB 0.129 32.141 31.823 0.315 0.000 1.000 369 V HN 0.575 8.892 8.190 0.211 0.000 0.456 370 L N 8.911 130.251 121.223 0.194 0.000 2.325 370 L HA 0.338 nan 4.340 nan 0.000 0.284 370 L C -1.463 175.487 176.870 0.134 0.000 1.089 370 L CA 0.036 54.959 54.840 0.139 0.000 0.836 370 L CB -0.594 41.532 42.059 0.112 0.000 1.184 370 L HN 0.591 8.952 8.230 0.219 0.000 0.444 371 S N 3.283 119.052 115.700 0.115 0.000 2.547 371 S HA 0.253 nan 4.470 nan 0.000 0.270 371 S C -1.983 172.675 174.600 0.097 0.000 1.150 371 S CA -0.507 57.754 58.200 0.102 0.000 0.850 371 S CB 1.809 65.069 63.200 0.099 0.000 1.118 371 S HN -0.219 8.156 8.310 0.109 0.000 0.461 372 N N 4.107 122.863 118.700 0.092 0.000 2.351 372 N HA 0.084 nan 4.740 nan 0.000 0.254 372 N C -0.483 175.117 175.510 0.150 0.000 1.241 372 N CA -0.324 52.786 53.050 0.099 0.000 0.883 372 N CB 0.892 39.419 38.487 0.068 0.000 1.202 372 N HN 0.601 9.030 8.380 0.083 0.000 0.512 373 H N 0.886 119.963 119.070 0.012 0.000 2.839 373 H HA -0.398 nan 4.556 nan 0.000 0.298 373 H C -0.162 175.135 175.328 -0.052 0.000 1.224 373 H CA 0.956 56.997 56.048 -0.012 0.000 1.144 373 H CB -1.285 28.474 29.762 -0.005 0.000 1.372 373 H HN 0.278 8.560 8.280 0.124 0.072 0.408 374 G N -4.975 103.850 108.800 0.041 0.000 2.160 374 G HA2 -0.425 nan 3.960 nan 0.000 0.251 374 G HA3 -0.425 nan 3.960 nan 0.000 0.251 374 G C -0.291 174.583 174.900 -0.044 0.000 1.008 374 G CA 0.183 45.272 45.100 -0.019 0.000 0.724 374 G HN 0.293 8.608 8.290 0.042 0.000 0.514 375 G N -2.801 106.010 108.800 0.018 0.000 2.272 375 G HA2 -0.456 nan 3.960 nan 0.000 0.280 375 G HA3 -0.456 nan 3.960 nan 0.000 0.280 375 G C -0.195 174.674 174.900 -0.052 0.000 1.067 375 G CA 0.432 45.539 45.100 0.012 0.000 0.902 375 G HN -0.289 7.857 8.290 0.053 0.176 0.500 376 R N -3.533 116.933 120.500 -0.058 0.000 2.508 376 R HA 0.140 nan 4.340 nan 0.000 0.300 376 R C -0.485 175.743 176.300 -0.121 0.000 0.970 376 R CA -0.429 55.606 56.100 -0.108 0.000 1.102 376 R CB 0.440 30.669 30.300 -0.118 0.000 1.246 376 R HN -0.590 7.678 8.270 -0.004 0.000 0.539 377 Q N -1.882 117.867 119.800 -0.084 0.000 2.653 377 Q HA 0.057 nan 4.340 nan 0.000 0.212 377 Q C -1.243 174.732 176.000 -0.043 0.000 0.951 377 Q CA -0.250 55.493 55.803 -0.100 0.000 0.535 377 Q CB 1.375 30.047 28.738 -0.111 0.000 3.737 377 Q HN -0.443 7.752 8.270 -0.041 0.050 0.401 378 L N 1.117 122.335 121.223 -0.010 0.000 2.319 378 L HA 0.029 nan 4.340 nan 0.000 0.280 378 L C -0.088 176.801 176.870 0.030 0.000 1.099 378 L CA 0.363 55.216 54.840 0.022 0.000 0.828 378 L CB 0.693 42.775 42.059 0.038 0.000 1.150 378 L HN 0.061 8.288 8.230 -0.004 0.000 0.442 379 D N 6.230 126.661 120.400 0.051 0.000 2.271 379 D HA -0.159 nan 4.640 nan 0.000 0.206 379 D C 0.624 176.930 176.300 0.010 0.000 0.967 379 D CA 1.912 55.915 54.000 0.004 0.000 0.867 379 D CB 0.496 41.300 40.800 0.006 0.000 0.960 379 D HN 0.342 8.754 8.370 0.070 0.000 0.509 380 F N -1.176 118.784 119.950 0.015 0.000 2.871 380 F HA 0.179 nan 4.527 nan 0.000 0.317 380 F C -0.638 175.172 175.800 0.018 0.000 1.193 380 F CA -0.760 57.250 58.000 0.017 0.000 1.311 380 F CB -0.527 38.481 39.000 0.013 0.000 1.380 380 F HN -0.540 7.989 8.300 0.382 0.000 0.557 381 S N -0.093 115.651 115.700 0.073 0.000 2.601 381 S HA 0.004 nan 4.470 nan 0.000 0.271 381 S C -0.048 174.574 174.600 0.038 0.000 1.305 381 S CA -0.434 57.804 58.200 0.064 0.000 1.022 381 S CB 0.923 64.150 63.200 0.046 0.000 0.940 381 S HN -0.176 8.087 8.310 0.007 0.051 0.525 382 R N 2.426 122.951 120.500 0.042 0.000 2.637 382 R HA -0.052 nan 4.340 nan 0.000 0.269 382 R C -1.274 175.028 176.300 0.002 0.000 1.089 382 R CA -0.211 55.902 56.100 0.022 0.000 1.177 382 R CB 0.748 31.063 30.300 0.025 0.000 1.091 382 R HN 0.093 8.393 8.270 0.050 0.000 0.540 383 A N 1.760 124.565 122.820 -0.024 0.000 2.491 383 A HA 0.177 nan 4.320 nan 0.000 0.261 383 A C -0.627 176.925 177.584 -0.054 0.000 1.101 383 A CA -2.104 49.901 52.037 -0.053 0.000 0.772 383 A CB -0.777 18.157 19.000 -0.109 0.000 1.043 383 A HN 0.389 8.524 8.150 -0.025 0.000 0.501 384 P HA -0.284 nan 4.420 nan 0.000 0.218 384 P C 0.717 177.992 177.300 -0.042 0.000 1.146 384 P CA 2.706 65.807 63.100 0.001 0.000 0.820 384 P CB -0.063 31.667 31.700 0.051 0.000 0.778 385 I N -3.908 116.564 120.570 -0.163 0.000 2.353 385 I HA -0.307 nan 4.170 nan 0.000 0.248 385 I C 0.957 177.001 176.117 -0.123 0.000 1.119 385 I CA 1.875 63.056 61.300 -0.199 0.000 1.417 385 I CB 0.042 37.716 38.000 -0.543 0.000 1.078 385 I HN -0.260 7.782 8.210 -0.241 0.023 0.421 386 E N 0.603 120.731 120.200 -0.120 0.000 2.047 386 E HA -0.320 nan 4.350 nan 0.000 0.191 386 E C 2.380 178.962 176.600 -0.029 0.000 0.987 386 E CA 3.667 60.027 56.400 -0.067 0.000 0.799 386 E CB 0.031 29.696 29.700 -0.058 0.000 0.752 386 E HN -0.367 7.795 8.360 -0.145 0.111 0.449 387 V N 0.887 120.792 119.914 -0.014 0.000 2.407 387 V HA -0.340 nan 4.120 nan 0.000 0.248 387 V C 2.087 178.189 176.094 0.013 0.000 1.055 387 V CA 4.023 66.328 62.300 0.009 0.000 1.049 387 V CB -1.013 30.825 31.823 0.026 0.000 0.662 387 V HN -0.472 7.705 8.190 -0.022 0.000 0.455 388 L N -0.752 120.478 121.223 0.011 0.000 2.013 388 L HA -0.478 nan 4.340 nan 0.000 0.212 388 L C 1.600 178.479 176.870 0.015 0.000 1.073 388 L CA 3.489 58.342 54.840 0.021 0.000 0.753 388 L CB -0.835 41.241 42.059 0.028 0.000 0.890 388 L HN 0.062 8.118 8.230 0.000 0.175 0.432 389 A N -2.413 120.409 122.820 0.004 0.000 1.902 389 A HA -0.376 nan 4.320 nan 0.000 0.217 389 A C 1.327 178.916 177.584 0.009 0.000 1.181 389 A CA 2.838 54.879 52.037 0.006 0.000 0.623 389 A CB -0.892 18.106 19.000 -0.003 0.000 0.818 389 A HN -0.125 8.016 8.150 -0.009 0.003 0.443 390 E N -2.558 117.646 120.200 0.007 0.000 2.106 390 E HA -0.218 nan 4.350 nan 0.000 0.192 390 E C 2.348 178.955 176.600 0.011 0.000 0.984 390 E CA 2.528 58.934 56.400 0.009 0.000 0.806 390 E CB 0.349 30.055 29.700 0.010 0.000 0.750 390 E HN -0.612 7.645 8.360 0.004 0.106 0.458 391 T N 2.450 117.012 114.554 0.014 0.000 2.735 391 T HA -0.153 nan 4.350 nan 0.000 0.256 391 T C 2.489 177.195 174.700 0.010 0.000 1.042 391 T CA 4.166 66.274 62.100 0.014 0.000 1.147 391 T CB -0.207 68.674 68.868 0.021 0.000 0.865 391 T HN -0.091 8.073 8.240 0.015 0.085 0.421 392 M N 0.089 119.696 119.600 0.011 0.000 2.108 392 M HA -0.202 nan 4.480 nan 0.000 0.257 392 M C -0.819 175.485 176.300 0.006 0.000 1.071 392 M CA 3.317 58.621 55.300 0.008 0.000 1.093 392 M CB -3.325 29.282 32.600 0.011 0.000 1.345 392 M HN -0.105 8.193 8.290 0.014 0.000 0.403 393 P HA -0.207 nan 4.420 nan 0.000 0.215 393 P C 1.705 179.007 177.300 0.003 0.000 1.153 393 P CA 3.180 66.284 63.100 0.007 0.000 0.853 393 P CB -0.680 31.025 31.700 0.008 0.000 0.788 394 I N -2.290 118.281 120.570 0.003 0.000 2.142 394 I HA -0.473 nan 4.170 nan 0.000 0.240 394 I C 1.823 177.938 176.117 -0.003 0.000 1.078 394 I CA 3.781 65.081 61.300 -0.000 0.000 1.343 394 I CB -0.192 37.809 38.000 0.000 0.000 1.046 394 I HN -0.442 7.694 8.210 0.005 0.077 0.405 395 L N -1.988 119.233 121.223 -0.003 0.000 2.079 395 L HA -0.540 nan 4.340 nan 0.000 0.210 395 L C 2.273 179.139 176.870 -0.007 0.000 1.081 395 L CA 3.314 58.150 54.840 -0.007 0.000 0.752 395 L CB -0.962 41.092 42.059 -0.008 0.000 0.896 395 L HN -0.252 7.978 8.230 -0.000 0.000 0.433 396 E N -0.691 119.506 120.200 -0.004 0.000 2.007 396 E HA -0.429 nan 4.350 nan 0.000 0.194 396 E C 2.671 179.269 176.600 -0.004 0.000 0.999 396 E CA 3.274 59.672 56.400 -0.003 0.000 0.811 396 E CB -0.333 29.367 29.700 0.001 0.000 0.762 396 E HN -0.173 8.186 8.360 -0.002 0.000 0.450 397 Q N -1.200 118.598 119.800 -0.003 0.000 2.268 397 Q HA -0.293 nan 4.340 nan 0.000 0.213 397 Q C 2.285 178.281 176.000 -0.007 0.000 0.995 397 Q CA 2.724 58.525 55.803 -0.004 0.000 0.901 397 Q CB -0.236 28.500 28.738 -0.004 0.000 0.921 397 Q HN -0.142 8.127 8.270 -0.001 0.000 0.421 398 R N -4.341 116.154 120.500 -0.009 0.000 2.507 398 R HA 0.172 nan 4.340 nan 0.000 0.298 398 R C -0.496 175.796 176.300 -0.013 0.000 0.999 398 R CA -0.890 55.202 56.100 -0.012 0.000 1.082 398 R CB -0.163 30.128 30.300 -0.016 0.000 1.246 398 R HN -0.390 7.735 8.270 -0.008 0.140 0.553 399 N N -1.606 117.088 118.700 -0.010 0.000 2.693 399 N HA -0.271 nan 4.740 nan 0.000 0.250 399 N C 0.476 175.979 175.510 -0.012 0.000 1.033 399 N CA 1.520 54.564 53.050 -0.010 0.000 0.747 399 N CB -0.747 37.734 38.487 -0.009 0.000 0.964 399 N HN 0.150 8.348 8.380 -0.008 0.177 0.540 400 L N -4.435 116.780 121.223 -0.014 0.000 2.585 400 L HA 0.081 nan 4.340 nan 0.000 0.226 400 L C 0.856 177.716 176.870 -0.016 0.000 1.113 400 L CA 0.278 55.108 54.840 -0.017 0.000 0.876 400 L CB 0.077 42.124 42.059 -0.019 0.000 1.072 400 L HN 0.087 8.256 8.230 -0.013 0.054 0.468 401 K N 1.271 121.663 120.400 -0.014 0.000 2.152 401 K HA -0.336 nan 4.320 nan 0.000 0.206 401 K C 0.922 177.509 176.600 -0.021 0.000 1.048 401 K CA 3.445 59.722 56.287 -0.017 0.000 0.933 401 K CB -0.182 32.311 32.500 -0.012 0.000 0.721 401 K HN -0.783 7.414 8.250 -0.012 0.046 0.447 402 D N -2.957 117.433 120.400 -0.017 0.000 2.328 402 D HA 0.013 nan 4.640 nan 0.000 0.226 402 D C 0.223 176.510 176.300 -0.020 0.000 1.066 402 D CA 1.131 55.120 54.000 -0.018 0.000 0.861 402 D CB -0.444 40.349 40.800 -0.011 0.000 0.912 402 D HN -0.075 8.267 8.370 -0.014 0.019 0.521 403 K N -1.484 118.903 120.400 -0.022 0.000 2.618 403 K HA 0.204 nan 4.320 nan 0.000 0.207 403 K C -1.226 175.360 176.600 -0.024 0.000 1.058 403 K CA -0.584 55.690 56.287 -0.021 0.000 1.086 403 K CB 0.239 32.728 32.500 -0.017 0.000 0.827 403 K HN -0.165 7.900 8.250 -0.022 0.172 0.481 404 L N -0.171 121.032 121.223 -0.033 0.000 2.614 404 L HA 0.206 nan 4.340 nan 0.000 0.264 404 L C -1.778 175.049 176.870 -0.072 0.000 0.940 404 L CA 0.057 54.874 54.840 -0.037 0.000 0.903 404 L CB 2.887 44.933 42.059 -0.022 0.000 1.306 404 L HN -0.773 7.372 8.230 -0.038 0.062 0.410 405 E N 6.714 126.851 120.200 -0.106 0.000 2.200 405 E HA 0.220 nan 4.350 nan 0.000 0.283 405 E C -1.553 174.842 176.600 -0.343 0.000 1.015 405 E CA -0.952 55.295 56.400 -0.256 0.000 0.819 405 E CB 1.857 31.369 29.700 -0.314 0.000 1.081 405 E HN -0.086 8.233 8.360 -0.068 0.000 0.397 406 V N 4.397 124.104 119.914 -0.345 0.000 2.350 406 V HA 0.475 nan 4.120 nan 0.000 0.276 406 V C -0.992 174.950 176.094 -0.253 0.000 1.028 406 V CA -0.708 61.485 62.300 -0.179 0.000 0.860 406 V CB 0.303 32.087 31.823 -0.064 0.000 0.990 406 V HN 0.519 8.513 8.190 -0.326 0.000 0.453 407 F N 7.602 127.641 119.950 0.147 0.000 2.461 407 F HA 0.716 nan 4.527 nan 0.000 0.332 407 F C -1.200 174.717 175.800 0.194 0.000 1.073 407 F CA -1.453 56.681 58.000 0.223 0.000 1.017 407 F CB 2.895 42.103 39.000 0.348 0.000 1.301 407 F HN 0.641 9.155 8.300 0.356 0.000 0.492 408 V N -0.844 119.304 119.914 0.390 0.000 2.808 408 V HA 0.564 nan 4.120 nan 0.000 0.308 408 V C -2.329 173.895 176.094 0.216 0.000 1.099 408 V CA -0.755 61.695 62.300 0.250 0.000 0.920 408 V CB 3.417 35.369 31.823 0.215 0.000 1.014 408 V HN -0.022 8.454 8.190 0.478 0.000 0.425 409 D N 4.257 124.753 120.400 0.159 0.000 2.798 409 D HA 0.672 nan 4.640 nan 0.000 0.308 409 D C -0.856 175.508 176.300 0.107 0.000 1.187 409 D CA -2.408 51.648 54.000 0.092 0.000 1.033 409 D CB 3.040 43.855 40.800 0.025 0.000 1.445 409 D HN 0.140 8.601 8.370 0.153 0.000 0.550 410 G N -2.840 106.004 108.800 0.074 0.000 3.190 410 G HA2 -0.288 nan 3.960 nan 0.000 0.686 410 G HA3 -0.288 nan 3.960 nan 0.000 0.686 410 G C 0.213 175.217 174.900 0.175 0.000 1.033 410 G CA -0.436 44.723 45.100 0.098 0.000 0.797 410 G HN -0.311 7.997 8.290 0.030 0.000 0.567 411 G N -0.470 108.428 108.800 0.163 0.000 2.234 411 G HA2 -0.433 nan 3.960 nan 0.000 0.260 411 G HA3 -0.433 nan 3.960 nan 0.000 0.260 411 G C -0.840 174.194 174.900 0.223 0.000 0.987 411 G CA 0.788 46.033 45.100 0.243 0.000 0.625 411 G HN -0.006 8.350 8.290 0.110 0.000 0.532 412 V N 1.232 121.185 119.914 0.066 0.000 2.446 412 V HA -0.098 nan 4.120 nan 0.000 0.276 412 V C -0.203 175.779 176.094 -0.186 0.000 1.030 412 V CA 0.928 63.138 62.300 -0.150 0.000 1.033 412 V CB -1.735 29.988 31.823 -0.167 0.000 0.993 412 V HN 0.053 8.210 8.190 0.076 0.079 0.477 413 R N 5.889 126.276 120.500 -0.188 0.000 2.568 413 R HA 0.349 nan 4.340 nan 0.000 0.254 413 R C -0.573 175.551 176.300 -0.294 0.000 0.925 413 R CA -0.490 55.426 56.100 -0.307 0.000 1.025 413 R CB 2.838 32.870 30.300 -0.448 0.000 1.428 413 R HN 0.530 9.053 8.270 -0.149 -0.342 0.573 414 R N -2.331 118.065 120.500 -0.173 0.000 2.750 414 R HA 0.365 nan 4.340 nan 0.000 0.281 414 R C 0.721 176.943 176.300 -0.129 0.000 0.972 414 R CA -1.489 54.538 56.100 -0.122 0.000 0.912 414 R CB 3.315 33.615 30.300 -0.000 0.000 1.187 414 R HN -0.744 7.587 8.270 -0.183 -0.171 0.464 415 G N 1.567 110.309 108.800 -0.097 0.000 2.479 415 G HA2 -0.309 nan 3.960 nan 0.000 0.220 415 G HA3 -0.309 nan 3.960 nan 0.000 0.220 415 G C 0.373 175.271 174.900 -0.004 0.000 1.115 415 G CA 2.483 47.546 45.100 -0.060 0.000 0.757 415 G HN 0.620 9.197 8.290 -0.087 -0.339 0.560 416 T N -2.038 112.533 114.554 0.029 0.000 3.023 416 T HA -0.160 nan 4.350 nan 0.000 0.266 416 T C 1.874 176.623 174.700 0.081 0.000 1.093 416 T CA 3.052 65.240 62.100 0.148 0.000 1.129 416 T CB -0.824 68.174 68.868 0.216 0.000 0.899 416 T HN 0.110 8.345 8.240 0.015 0.013 0.491 417 D N 2.955 123.286 120.400 -0.115 0.000 2.117 417 D HA -0.145 nan 4.640 nan 0.000 0.198 417 D C 1.831 177.980 176.300 -0.252 0.000 0.982 417 D CA 3.140 56.897 54.000 -0.404 0.000 0.828 417 D CB -0.582 39.707 40.800 -0.850 0.000 0.967 417 D HN -0.188 7.980 8.370 -0.117 0.132 0.464 418 V N 0.413 120.247 119.914 -0.133 0.000 2.343 418 V HA -0.363 nan 4.120 nan 0.000 0.247 418 V C 1.834 177.982 176.094 0.090 0.000 1.051 418 V CA 4.432 66.730 62.300 -0.003 0.000 1.036 418 V CB -0.542 31.296 31.823 0.025 0.000 0.654 418 V HN -0.621 7.481 8.190 -0.147 0.000 0.451 419 L N -2.529 118.766 121.223 0.119 0.000 2.141 419 L HA -0.472 nan 4.340 nan 0.000 0.209 419 L C 1.914 178.927 176.870 0.240 0.000 1.094 419 L CA 3.526 58.468 54.840 0.170 0.000 0.763 419 L CB -0.832 41.331 42.059 0.173 0.000 0.908 419 L HN -0.163 8.047 8.230 0.098 0.079 0.437 420 K N -0.688 119.868 120.400 0.261 0.000 2.057 420 K HA -0.380 nan 4.320 nan 0.000 0.207 420 K C 2.317 179.052 176.600 0.225 0.000 1.049 420 K CA 3.590 60.026 56.287 0.248 0.000 0.931 420 K CB -0.355 32.273 32.500 0.213 0.000 0.714 420 K HN -0.175 8.116 8.250 0.220 0.091 0.440 421 A N -0.712 122.260 122.820 0.254 0.000 1.898 421 A HA -0.161 nan 4.320 nan 0.000 0.216 421 A C 2.351 180.027 177.584 0.153 0.000 1.181 421 A CA 2.951 55.119 52.037 0.218 0.000 0.620 421 A CB -0.713 18.433 19.000 0.244 0.000 0.819 421 A HN -0.456 7.850 8.150 0.260 0.000 0.442 422 L N -1.866 119.445 121.223 0.146 0.000 2.046 422 L HA -0.424 nan 4.340 nan 0.000 0.208 422 L C 2.461 179.391 176.870 0.100 0.000 1.077 422 L CA 3.111 58.018 54.840 0.113 0.000 0.747 422 L CB -0.431 41.694 42.059 0.110 0.000 0.896 422 L HN 0.040 8.365 8.230 0.157 0.000 0.432 423 C N -2.160 117.212 119.300 0.120 0.000 2.419 423 C HA -0.291 nan 4.460 nan 0.000 0.281 423 C C 1.162 176.204 174.990 0.087 0.000 1.336 423 C CA 3.086 62.168 59.018 0.107 0.000 1.770 423 C CB -1.417 26.412 27.740 0.148 0.000 1.929 423 C HN 0.139 8.458 8.230 0.149 0.000 0.509 424 L N -3.482 117.795 121.223 0.090 0.000 2.599 424 L HA -0.117 nan 4.340 nan 0.000 0.230 424 L C -0.049 176.850 176.870 0.048 0.000 1.141 424 L CA 0.174 55.053 54.840 0.066 0.000 0.877 424 L CB -0.127 41.970 42.059 0.063 0.000 1.009 424 L HN -0.689 7.490 8.230 0.110 0.117 0.447 425 G N -3.937 104.891 108.800 0.048 0.000 2.144 425 G HA2 -0.309 nan 3.960 nan 0.000 0.218 425 G HA3 -0.309 nan 3.960 nan 0.000 0.218 425 G C -0.817 174.088 174.900 0.008 0.000 0.988 425 G CA -0.320 44.794 45.100 0.023 0.000 0.659 425 G HN -0.279 7.856 8.290 0.063 0.193 0.522 426 A N -0.804 122.036 122.820 0.033 0.000 2.511 426 A HA -0.083 nan 4.320 nan 0.000 0.242 426 A C 0.156 177.725 177.584 -0.026 0.000 1.069 426 A CA 0.037 52.082 52.037 0.014 0.000 0.763 426 A CB 0.376 19.434 19.000 0.095 0.000 1.001 426 A HN -0.487 7.700 8.150 0.062 0.000 0.498 427 K N 2.886 123.179 120.400 -0.179 0.000 2.209 427 K HA -0.210 nan 4.320 nan 0.000 0.204 427 K C -0.535 176.083 176.600 0.031 0.000 1.048 427 K CA -0.071 56.098 56.287 -0.197 0.000 0.940 427 K CB 0.407 32.581 32.500 -0.542 0.000 0.729 427 K HN 0.455 8.532 8.250 -0.289 0.000 0.451 428 G N -6.311 102.619 108.800 0.217 0.000 2.616 428 G HA2 0.140 nan 3.960 nan 0.000 0.294 428 G HA3 0.140 nan 3.960 nan 0.000 0.294 428 G C -3.114 172.131 174.900 0.576 0.000 1.489 428 G CA -0.221 45.184 45.100 0.509 0.000 0.836 428 G HN -0.945 7.402 8.290 0.136 0.025 0.527 429 V N -0.611 119.531 119.914 0.380 0.000 2.555 429 V HA 0.761 nan 4.120 nan 0.000 0.302 429 V C -1.001 174.958 176.094 -0.225 0.000 1.038 429 V CA -2.140 60.266 62.300 0.177 0.000 0.887 429 V CB 3.084 34.994 31.823 0.144 0.000 0.991 429 V HN 0.121 8.528 8.190 0.362 0.000 0.434 430 G N 3.669 112.152 108.800 -0.529 0.000 2.441 430 G HA2 0.937 nan 3.960 nan 0.000 0.334 430 G HA3 0.937 nan 3.960 nan 0.000 0.334 430 G C -2.920 171.776 174.900 -0.341 0.000 1.161 430 G CA -1.746 42.760 45.100 -0.991 0.000 0.935 430 G HN 0.319 8.492 8.290 -0.195 0.000 0.488 431 L N -0.666 120.428 121.223 -0.216 0.000 2.408 431 L HA 0.434 nan 4.340 nan 0.000 0.268 431 L C -0.349 176.506 176.870 -0.026 0.000 0.986 431 L CA -0.384 54.401 54.840 -0.090 0.000 0.820 431 L CB 3.250 45.255 42.059 -0.091 0.000 1.303 431 L HN -0.050 8.042 8.230 -0.229 0.000 0.411 432 G N 1.608 110.351 108.800 -0.096 0.000 2.710 432 G HA2 -0.002 nan 3.960 nan 0.000 0.215 432 G HA3 -0.002 nan 3.960 nan 0.000 0.215 432 G C 1.239 176.004 174.900 -0.225 0.000 1.345 432 G CA 1.358 46.379 45.100 -0.132 0.000 0.812 432 G HN 0.293 8.513 8.290 -0.117 0.000 0.606 433 R N 0.921 121.245 120.500 -0.294 0.000 2.083 433 R HA -0.123 nan 4.340 nan 0.000 0.237 433 R C -0.532 175.478 176.300 -0.485 0.000 1.137 433 R CA 5.095 60.888 56.100 -0.511 0.000 0.951 433 R CB -1.833 28.259 30.300 -0.347 0.000 0.851 433 R HN 0.455 8.587 8.270 -0.230 0.000 0.434 434 P HA -0.257 nan 4.420 nan 0.000 0.216 434 P C 1.490 178.456 177.300 -0.557 0.000 1.157 434 P CA 3.289 66.173 63.100 -0.360 0.000 0.880 434 P CB -0.416 30.958 31.700 -0.545 0.000 0.791 435 F N -3.953 115.839 119.950 -0.264 0.000 2.206 435 F HA -0.201 nan 4.527 nan 0.000 0.298 435 F C 2.179 177.788 175.800 -0.319 0.000 1.090 435 F CA 3.556 61.391 58.000 -0.276 0.000 1.323 435 F CB -0.492 38.377 39.000 -0.219 0.000 1.028 435 F HN -0.850 7.193 8.300 -0.429 0.000 0.492 436 L N -1.116 119.922 121.223 -0.309 0.000 2.127 436 L HA -0.502 nan 4.340 nan 0.000 0.211 436 L C 1.843 178.504 176.870 -0.349 0.000 1.089 436 L CA 3.597 58.136 54.840 -0.502 0.000 0.757 436 L CB -0.429 41.022 42.059 -1.013 0.000 0.899 436 L HN -0.461 7.490 8.230 -0.349 0.068 0.434 437 Y N -3.464 116.754 120.300 -0.137 0.000 2.448 437 Y HA -0.215 nan 4.550 nan 0.000 0.289 437 Y C 1.851 177.711 175.900 -0.066 0.000 1.114 437 Y CA 1.837 59.939 58.100 0.002 0.000 1.235 437 Y CB -1.425 37.111 38.460 0.127 0.000 1.045 437 Y HN -0.160 7.893 8.280 -0.358 0.012 0.554 438 A N 0.413 123.079 122.820 -0.257 0.000 1.855 438 A HA -0.393 nan 4.320 nan 0.000 0.215 438 A C 1.553 179.067 177.584 -0.117 0.000 1.191 438 A CA 3.114 54.744 52.037 -0.679 0.000 0.613 438 A CB -0.764 17.509 19.000 -1.211 0.000 0.829 438 A HN 0.174 8.137 8.150 -0.311 0.000 0.442 439 N N -2.153 116.507 118.700 -0.067 0.000 2.104 439 N HA -0.359 nan 4.740 nan 0.000 0.190 439 N C 2.435 177.979 175.510 0.057 0.000 1.024 439 N CA 3.379 56.436 53.050 0.012 0.000 0.853 439 N CB 0.131 38.612 38.487 -0.010 0.000 1.008 439 N HN -0.061 8.257 8.380 -0.105 0.000 0.424 440 S N 1.048 116.797 115.700 0.081 0.000 2.356 440 S HA -0.244 nan 4.470 nan 0.000 0.223 440 S C 1.827 176.479 174.600 0.087 0.000 1.032 440 S CA 3.361 61.640 58.200 0.133 0.000 1.005 440 S CB 0.123 63.475 63.200 0.253 0.000 0.867 440 S HN -0.210 8.135 8.310 0.058 0.000 0.449 441 C N -1.012 118.339 119.300 0.084 0.000 2.475 441 C HA -0.136 nan 4.460 nan 0.000 0.279 441 C C 1.379 176.189 174.990 -0.299 0.000 1.322 441 C CA 2.611 61.562 59.018 -0.110 0.000 1.734 441 C CB 0.449 28.146 27.740 -0.072 0.000 2.005 441 C HN -0.541 7.786 8.230 0.162 0.000 0.495 442 Y N -4.508 115.858 120.300 0.109 0.000 2.717 442 Y HA 0.147 nan 4.550 nan 0.000 0.250 442 Y C 0.330 176.265 175.900 0.059 0.000 1.149 442 Y CA -0.646 57.514 58.100 0.100 0.000 1.211 442 Y CB 0.105 38.663 38.460 0.162 0.000 1.289 442 Y HN 0.189 8.612 8.280 0.239 0.000 0.552 443 G N 0.760 109.645 108.800 0.143 0.000 2.602 443 G HA2 -0.524 nan 3.960 nan 0.000 0.306 443 G HA3 -0.524 nan 3.960 nan 0.000 0.306 443 G C -0.057 174.892 174.900 0.083 0.000 1.301 443 G CA 1.443 46.597 45.100 0.090 0.000 0.974 443 G HN 0.118 8.407 8.290 0.111 0.068 0.547 444 R N 1.340 121.876 120.500 0.059 0.000 2.193 444 R HA -0.285 nan 4.340 nan 0.000 0.229 444 R C 1.759 178.090 176.300 0.051 0.000 1.110 444 R CA 2.908 59.031 56.100 0.038 0.000 0.988 444 R CB -0.336 29.977 30.300 0.023 0.000 0.871 444 R HN 0.295 8.599 8.270 0.056 0.000 0.458 445 N N -0.542 118.208 118.700 0.082 0.000 2.415 445 N HA 0.002 nan 4.740 nan 0.000 0.176 445 N C 2.087 177.650 175.510 0.087 0.000 1.042 445 N CA 1.814 54.910 53.050 0.077 0.000 0.902 445 N CB -0.483 38.054 38.487 0.083 0.000 0.986 445 N HN -0.404 8.004 8.380 0.105 0.036 0.447 446 G N 1.426 110.307 108.800 0.135 0.000 2.402 446 G HA2 -0.237 nan 3.960 nan 0.000 0.216 446 G HA3 -0.237 nan 3.960 nan 0.000 0.216 446 G C 1.170 176.038 174.900 -0.053 0.000 1.162 446 G CA 2.116 47.274 45.100 0.096 0.000 0.777 446 G HN -0.065 8.137 8.290 0.176 0.194 0.539 447 V N 2.372 122.288 119.914 0.003 0.000 2.515 447 V HA -0.401 nan 4.120 nan 0.000 0.250 447 V C 1.772 177.927 176.094 0.102 0.000 1.058 447 V CA 3.964 66.306 62.300 0.072 0.000 1.064 447 V CB -0.706 31.140 31.823 0.039 0.000 0.675 447 V HN -0.224 7.985 8.190 0.032 0.000 0.461 448 E N -0.501 119.738 120.200 0.066 0.000 2.072 448 E HA -0.343 nan 4.350 nan 0.000 0.190 448 E C 1.906 178.565 176.600 0.098 0.000 0.982 448 E CA 3.340 59.783 56.400 0.071 0.000 0.803 448 E CB -0.079 29.647 29.700 0.045 0.000 0.755 448 E HN -0.319 7.998 8.360 0.050 0.073 0.453 449 K N -0.361 120.097 120.400 0.098 0.000 2.147 449 K HA -0.281 nan 4.320 nan 0.000 0.205 449 K C 2.118 178.826 176.600 0.181 0.000 1.049 449 K CA 2.536 58.898 56.287 0.125 0.000 0.936 449 K CB -0.490 32.093 32.500 0.139 0.000 0.722 449 K HN -0.015 8.175 8.250 0.082 0.109 0.446 450 A N -0.965 121.956 122.820 0.168 0.000 1.897 450 A HA -0.132 nan 4.320 nan 0.000 0.215 450 A C 2.040 179.716 177.584 0.154 0.000 1.181 450 A CA 2.946 55.059 52.037 0.126 0.000 0.620 450 A CB -0.786 18.101 19.000 -0.189 0.000 0.821 450 A HN 0.002 8.115 8.150 0.103 0.099 0.443 451 I N -1.072 119.674 120.570 0.292 0.000 2.208 451 I HA -0.666 nan 4.170 nan 0.000 0.245 451 I C 2.034 178.312 176.117 0.268 0.000 1.097 451 I CA 4.498 66.025 61.300 0.378 0.000 1.363 451 I CB -0.153 38.025 38.000 0.296 0.000 1.051 451 I HN -0.267 8.122 8.210 0.297 0.000 0.413 452 E N 0.121 120.419 120.200 0.163 0.000 2.017 452 E HA -0.377 nan 4.350 nan 0.000 0.193 452 E C 2.326 178.978 176.600 0.088 0.000 0.997 452 E CA 3.764 60.231 56.400 0.111 0.000 0.804 452 E CB -0.101 29.645 29.700 0.078 0.000 0.757 452 E HN -0.307 8.144 8.360 0.153 0.000 0.448 453 I N -0.240 120.372 120.570 0.069 0.000 2.151 453 I HA -0.493 nan 4.170 nan 0.000 0.243 453 I C 2.051 178.164 176.117 -0.006 0.000 1.080 453 I CA 4.027 65.341 61.300 0.024 0.000 1.339 453 I CB 0.052 38.066 38.000 0.023 0.000 1.039 453 I HN -0.008 8.190 8.210 0.093 0.068 0.409 454 L N -1.445 119.758 121.223 -0.034 0.000 2.179 454 L HA -0.220 nan 4.340 nan 0.000 0.208 454 L C 1.242 178.133 176.870 0.034 0.000 1.096 454 L CA 2.934 57.704 54.840 -0.116 0.000 0.779 454 L CB -0.467 41.355 42.059 -0.394 0.000 0.922 454 L HN -0.024 8.193 8.230 -0.009 0.008 0.443 455 R N 0.134 120.744 120.500 0.183 0.000 2.083 455 R HA -0.469 nan 4.340 nan 0.000 0.237 455 R C 1.974 178.338 176.300 0.108 0.000 1.137 455 R CA 3.955 60.187 56.100 0.219 0.000 0.951 455 R CB -0.565 29.848 30.300 0.189 0.000 0.851 455 R HN 0.166 8.555 8.270 0.199 0.000 0.434 456 D N -0.937 119.505 120.400 0.070 0.000 2.097 456 D HA -0.239 nan 4.640 nan 0.000 0.195 456 D C 2.468 178.783 176.300 0.025 0.000 0.989 456 D CA 3.445 57.469 54.000 0.039 0.000 0.827 456 D CB -0.594 40.222 40.800 0.027 0.000 0.966 456 D HN -0.036 8.379 8.370 0.076 0.000 0.456 457 E N 0.087 120.293 120.200 0.010 0.000 2.058 457 E HA -0.350 nan 4.350 nan 0.000 0.194 457 E C 2.907 179.512 176.600 0.008 0.000 0.997 457 E CA 3.023 59.422 56.400 -0.002 0.000 0.801 457 E CB 0.032 29.717 29.700 -0.026 0.000 0.746 457 E HN -0.341 8.022 8.360 0.005 0.000 0.450 458 I N -0.160 120.425 120.570 0.026 0.000 2.208 458 I HA -0.536 nan 4.170 nan 0.000 0.245 458 I C 1.764 177.897 176.117 0.027 0.000 1.097 458 I CA 4.217 65.542 61.300 0.041 0.000 1.363 458 I CB -0.171 37.885 38.000 0.094 0.000 1.051 458 I HN 0.198 8.427 8.210 0.032 0.000 0.413 459 E N -0.673 119.546 120.200 0.032 0.000 2.158 459 E HA -0.309 nan 4.350 nan 0.000 0.191 459 E C 2.501 179.103 176.600 0.002 0.000 0.982 459 E CA 2.922 59.334 56.400 0.021 0.000 0.823 459 E CB 0.229 29.947 29.700 0.030 0.000 0.766 459 E HN -0.394 7.892 8.360 0.043 0.099 0.468 460 M N 0.315 119.916 119.600 0.002 0.000 2.077 460 M HA -0.239 nan 4.480 nan 0.000 0.261 460 M C 2.197 178.484 176.300 -0.022 0.000 1.070 460 M CA 2.202 57.498 55.300 -0.007 0.000 1.125 460 M CB -0.419 32.181 32.600 -0.002 0.000 1.339 460 M HN 0.008 8.283 8.290 0.009 0.020 0.409 461 S N -1.165 114.520 115.700 -0.027 0.000 2.507 461 S HA -0.241 nan 4.470 nan 0.000 0.235 461 S C 1.893 176.431 174.600 -0.105 0.000 0.988 461 S CA 2.949 61.113 58.200 -0.060 0.000 0.944 461 S CB -0.336 62.841 63.200 -0.039 0.000 0.762 461 S HN -0.089 8.213 8.310 -0.013 0.000 0.526 462 M N 0.767 120.324 119.600 -0.071 0.000 2.334 462 M HA -0.254 nan 4.480 nan 0.000 0.266 462 M C 1.225 177.484 176.300 -0.068 0.000 1.082 462 M CA 3.798 59.051 55.300 -0.078 0.000 1.141 462 M CB 0.226 32.804 32.600 -0.037 0.000 1.380 462 M HN -0.274 7.851 8.290 -0.040 0.142 0.440 463 R N 0.227 120.700 120.500 -0.046 0.000 2.088 463 R HA -0.328 nan 4.340 nan 0.000 0.232 463 R C 2.581 178.851 176.300 -0.050 0.000 1.136 463 R CA 3.449 59.527 56.100 -0.036 0.000 0.926 463 R CB -0.256 30.031 30.300 -0.023 0.000 0.837 463 R HN -0.508 7.740 8.270 -0.036 0.000 0.429 464 L N -2.160 119.030 121.223 -0.056 0.000 2.456 464 L HA -0.229 nan 4.340 nan 0.000 0.225 464 L C 1.147 177.958 176.870 -0.099 0.000 1.142 464 L CA 2.790 57.593 54.840 -0.063 0.000 0.796 464 L CB -0.551 41.475 42.059 -0.056 0.000 0.920 464 L HN -0.476 7.725 8.230 -0.049 0.000 0.446 465 L N -3.222 117.917 121.223 -0.140 0.000 2.808 465 L HA 0.262 nan 4.340 nan 0.000 0.246 465 L C 0.556 177.356 176.870 -0.117 0.000 1.153 465 L CA -0.820 53.901 54.840 -0.199 0.000 0.956 465 L CB 0.333 42.178 42.059 -0.357 0.000 1.270 465 L HN -0.664 7.285 8.230 -0.121 0.208 0.528 466 G N -0.015 108.740 108.800 -0.074 0.000 2.225 466 G HA2 -0.455 nan 3.960 nan 0.000 0.267 466 G HA3 -0.455 nan 3.960 nan 0.000 0.267 466 G C -1.569 173.308 174.900 -0.039 0.000 1.024 466 G CA 1.151 46.224 45.100 -0.045 0.000 0.784 466 G HN 0.294 8.368 8.290 -0.070 0.174 0.507 467 V N -6.695 113.193 119.914 -0.044 0.000 2.914 467 V HA 0.704 nan 4.120 nan 0.000 0.314 467 V C -1.219 174.864 176.094 -0.017 0.000 1.084 467 V CA -2.468 59.816 62.300 -0.027 0.000 0.963 467 V CB 2.385 34.192 31.823 -0.028 0.000 1.025 467 V HN -0.507 7.649 8.190 -0.056 0.000 0.432 468 T N -3.061 111.490 114.554 -0.006 0.000 3.085 468 T HA 0.272 nan 4.350 nan 0.000 0.264 468 T C -0.800 173.905 174.700 0.008 0.000 1.019 468 T CA -0.366 61.734 62.100 0.000 0.000 0.910 468 T CB 0.131 69.000 68.868 0.002 0.000 1.059 468 T HN 0.099 8.670 8.240 -0.003 -0.332 0.542 469 S N -1.801 113.905 115.700 0.010 0.000 2.547 469 S HA 0.419 nan 4.470 nan 0.000 0.270 469 S C 0.661 175.273 174.600 0.020 0.000 1.150 469 S CA -1.352 56.859 58.200 0.018 0.000 0.850 469 S CB 2.927 66.141 63.200 0.023 0.000 1.118 469 S HN -0.679 7.634 8.310 0.006 0.000 0.461 470 I N 2.578 123.164 120.570 0.026 0.000 2.236 470 I HA -0.489 nan 4.170 nan 0.000 0.249 470 I C 1.464 177.599 176.117 0.030 0.000 1.102 470 I CA 2.718 64.037 61.300 0.032 0.000 1.365 470 I CB -1.401 36.620 38.000 0.035 0.000 1.051 470 I HN 0.573 8.799 8.210 0.027 0.000 0.420 471 A N -1.686 121.151 122.820 0.027 0.000 2.067 471 A HA -0.219 nan 4.320 nan 0.000 0.219 471 A C 0.987 178.584 177.584 0.022 0.000 1.158 471 A CA 2.565 54.617 52.037 0.025 0.000 0.661 471 A CB -0.809 18.205 19.000 0.025 0.000 0.801 471 A HN 0.119 8.266 8.150 0.028 0.020 0.452 472 E N -3.065 117.146 120.200 0.019 0.000 2.489 472 E HA -0.070 nan 4.350 nan 0.000 0.193 472 E C -0.454 176.157 176.600 0.017 0.000 1.057 472 E CA -0.138 56.272 56.400 0.015 0.000 0.866 472 E CB 0.388 30.094 29.700 0.009 0.000 0.916 472 E HN -0.394 7.825 8.360 0.019 0.152 0.500 473 L N 1.627 122.864 121.223 0.024 0.000 2.385 473 L HA -0.113 nan 4.340 nan 0.000 0.281 473 L C -1.063 175.832 176.870 0.042 0.000 1.106 473 L CA 0.374 55.234 54.840 0.033 0.000 0.856 473 L CB -0.544 41.541 42.059 0.044 0.000 1.186 473 L HN -0.449 7.608 8.230 0.026 0.189 0.453 474 K N 3.414 123.841 120.400 0.046 0.000 2.443 474 K HA 0.438 nan 4.320 nan 0.000 0.251 474 K C -2.047 174.589 176.600 0.060 0.000 0.972 474 K CA -3.022 53.292 56.287 0.046 0.000 0.833 474 K CB 1.818 34.339 32.500 0.035 0.000 1.317 474 K HN -0.256 8.021 8.250 0.044 0.000 0.441 475 P HA -0.260 nan 4.420 nan 0.000 0.216 475 P C 0.117 177.460 177.300 0.071 0.000 1.150 475 P CA 2.477 65.618 63.100 0.067 0.000 0.837 475 P CB 0.131 31.862 31.700 0.051 0.000 0.786 476 D N -4.587 115.847 120.400 0.057 0.000 2.393 476 D HA -0.230 nan 4.640 nan 0.000 0.220 476 D C 0.968 177.311 176.300 0.071 0.000 0.974 476 D CA 2.109 56.142 54.000 0.056 0.000 0.931 476 D CB -1.282 39.542 40.800 0.040 0.000 0.889 476 D HN 0.229 8.616 8.370 0.047 0.012 0.512 477 L N -3.025 118.252 121.223 0.089 0.000 2.592 477 L HA 0.128 nan 4.340 nan 0.000 0.227 477 L C -1.098 175.897 176.870 0.209 0.000 1.127 477 L CA 0.133 55.039 54.840 0.110 0.000 0.884 477 L CB -0.884 41.220 42.059 0.075 0.000 1.065 477 L HN -0.537 7.687 8.230 0.090 0.061 0.457 478 L N -2.342 118.995 121.223 0.191 0.000 2.333 478 L HA 0.274 nan 4.340 nan 0.000 0.269 478 L C -1.292 175.662 176.870 0.140 0.000 1.010 478 L CA -1.864 53.104 54.840 0.214 0.000 0.818 478 L CB 2.210 44.362 42.059 0.156 0.000 1.306 478 L HN -0.164 8.071 8.230 0.137 0.076 0.430 479 D N 1.113 121.592 120.400 0.131 0.000 2.428 479 D HA 0.132 nan 4.640 nan 0.000 0.221 479 D C -0.080 176.263 176.300 0.071 0.000 1.123 479 D CA -0.962 53.095 54.000 0.095 0.000 0.869 479 D CB 0.327 41.188 40.800 0.102 0.000 1.032 479 D HN 0.280 8.615 8.370 0.142 0.121 0.506 480 L N 4.705 125.959 121.223 0.052 0.000 2.591 480 L HA 0.067 nan 4.340 nan 0.000 0.228 480 L C 1.041 177.926 176.870 0.024 0.000 1.133 480 L CA -0.105 54.757 54.840 0.036 0.000 0.880 480 L CB -0.473 41.605 42.059 0.031 0.000 1.033 480 L HN 0.299 8.560 8.230 0.051 0.000 0.450 481 S N 0.029 115.740 115.700 0.018 0.000 2.440 481 S HA -0.212 nan 4.470 nan 0.000 0.238 481 S C 0.688 175.285 174.600 -0.004 0.000 1.010 481 S CA 2.524 60.726 58.200 0.004 0.000 0.972 481 S CB 0.097 63.293 63.200 -0.006 0.000 0.774 481 S HN -0.342 8.223 8.310 0.024 -0.241 0.501 482 T N -4.165 110.389 114.554 -0.000 0.000 3.331 482 T HA 0.359 nan 4.350 nan 0.000 0.282 482 T C 0.974 175.682 174.700 0.013 0.000 1.010 482 T CA -1.605 60.493 62.100 -0.003 0.000 0.928 482 T CB 0.915 69.768 68.868 -0.024 0.000 1.154 482 T HN -0.357 7.853 8.240 0.011 0.037 0.516 483 L N 2.233 123.463 121.223 0.012 0.000 2.131 483 L HA -0.188 nan 4.340 nan 0.000 0.210 483 L C -0.653 176.216 176.870 -0.002 0.000 1.092 483 L CA 3.107 57.950 54.840 0.005 0.000 0.759 483 L CB 0.070 42.129 42.059 0.001 0.000 0.903 483 L HN -0.169 7.992 8.230 0.011 0.075 0.435 484 K N -3.828 116.572 120.400 0.001 0.000 2.417 484 K HA -0.020 nan 4.320 nan 0.000 0.196 484 K C -0.493 176.109 176.600 0.003 0.000 1.023 484 K CA -1.212 55.075 56.287 0.001 0.000 1.122 484 K CB -0.841 31.660 32.500 0.001 0.000 0.850 484 K HN -0.273 7.960 8.250 0.002 0.018 0.521 485 A N 1.029 123.852 122.820 0.004 0.000 3.048 485 A HA 0.040 nan 4.320 nan 0.000 0.264 485 A C -0.975 176.615 177.584 0.010 0.000 1.796 485 A CA -0.168 51.872 52.037 0.005 0.000 1.445 485 A CB -0.916 18.087 19.000 0.004 0.000 1.074 485 A HN -0.491 7.506 8.150 0.006 0.156 0.621 486 R N 4.091 124.598 120.500 0.011 0.000 2.522 486 R HA 0.219 nan 4.340 nan 0.000 0.290 486 R C -1.010 175.302 176.300 0.021 0.000 1.216 486 R CA -0.335 55.775 56.100 0.016 0.000 1.250 486 R CB -0.346 29.964 30.300 0.018 0.000 1.143 486 R HN -0.271 7.962 8.270 0.010 0.043 0.553 487 T N 1.147 115.713 114.554 0.019 0.000 2.928 487 T HA 0.195 nan 4.350 nan 0.000 0.284 487 T C -0.244 174.470 174.700 0.025 0.000 1.008 487 T CA -0.644 61.467 62.100 0.018 0.000 1.057 487 T CB 0.981 69.856 68.868 0.011 0.000 1.018 487 T HN -0.200 8.052 8.240 0.019 0.000 0.493 488 V N 2.876 122.804 119.914 0.024 0.000 2.444 488 V HA 0.325 nan 4.120 nan 0.000 0.294 488 V C 1.075 177.178 176.094 0.015 0.000 1.022 488 V CA -0.332 61.984 62.300 0.028 0.000 0.850 488 V CB 1.119 32.964 31.823 0.037 0.000 0.992 488 V HN 0.424 8.625 8.190 0.018 0.000 0.426 489 G N 3.808 112.616 108.800 0.012 0.000 2.507 489 G HA2 0.307 nan 3.960 nan 0.000 0.271 489 G HA3 0.307 nan 3.960 nan 0.000 0.271 489 G C -0.757 174.144 174.900 0.001 0.000 1.189 489 G CA -0.531 44.571 45.100 0.003 0.000 0.859 489 G HN 0.470 8.770 8.290 0.017 0.000 0.542 490 V N 0.886 120.796 119.914 -0.007 0.000 2.715 490 V HA 0.262 nan 4.120 nan 0.000 0.299 490 V C -1.578 174.511 176.094 -0.007 0.000 1.054 490 V CA -1.917 60.378 62.300 -0.009 0.000 1.077 490 V CB 0.671 32.483 31.823 -0.017 0.000 0.972 490 V HN 0.484 8.667 8.190 -0.012 0.000 0.484 491 P HA 0.097 nan 4.420 nan 0.000 0.265 491 P C -1.835 175.464 177.300 -0.002 0.000 1.193 491 P CA -0.143 62.959 63.100 0.003 0.000 0.765 491 P CB 0.576 32.279 31.700 0.006 0.000 0.823 492 N N 2.270 120.972 118.700 0.003 0.000 2.287 492 N HA -0.065 nan 4.740 nan 0.000 0.289 492 N C -1.106 174.414 175.510 0.017 0.000 1.066 492 N CA -0.021 53.027 53.050 -0.002 0.000 0.841 492 N CB 2.782 41.255 38.487 -0.023 0.000 1.599 492 N HN -0.038 8.348 8.380 0.009 0.000 0.476 493 D N 4.204 124.613 120.400 0.015 0.000 3.939 493 D HA -0.322 nan 4.640 nan 0.000 0.187 493 D C 1.268 177.620 176.300 0.086 0.000 1.256 493 D CA 0.692 54.717 54.000 0.043 0.000 0.750 493 D CB 0.274 41.083 40.800 0.014 0.000 0.973 493 D HN 0.466 8.837 8.370 0.002 0.000 0.481 494 V N 1.421 121.375 119.914 0.066 0.000 2.427 494 V HA -0.276 nan 4.120 nan 0.000 0.248 494 V C 0.673 176.816 176.094 0.081 0.000 1.051 494 V CA 2.408 64.748 62.300 0.067 0.000 1.048 494 V CB 0.206 32.057 31.823 0.046 0.000 0.666 494 V HN 0.128 8.348 8.190 0.049 0.000 0.456 495 L N -0.870 120.405 121.223 0.085 0.000 2.044 495 L HA -0.348 nan 4.340 nan 0.000 0.205 495 L C 1.559 178.496 176.870 0.113 0.000 1.075 495 L CA 2.886 57.775 54.840 0.081 0.000 0.747 495 L CB -0.577 41.525 42.059 0.072 0.000 0.903 495 L HN -0.396 7.881 8.230 0.078 0.000 0.435 496 Y N -0.240 120.077 120.300 0.028 0.000 2.128 496 Y HA -0.596 nan 4.550 nan 0.000 0.284 496 Y C 1.815 177.753 175.900 0.064 0.000 1.154 496 Y CA 3.919 62.041 58.100 0.035 0.000 1.149 496 Y CB 0.096 38.562 38.460 0.010 0.000 0.976 496 Y HN -0.726 7.902 8.280 0.243 -0.202 0.505 497 N N -2.122 116.735 118.700 0.262 0.000 2.396 497 N HA -0.285 nan 4.740 nan 0.000 0.180 497 N C 1.411 176.993 175.510 0.122 0.000 1.028 497 N CA 2.173 55.340 53.050 0.195 0.000 0.893 497 N CB -0.129 38.456 38.487 0.164 0.000 0.967 497 N HN -0.100 8.441 8.380 0.267 0.000 0.440 498 E N -0.008 120.239 120.200 0.078 0.000 2.107 498 E HA -0.149 nan 4.350 nan 0.000 0.191 498 E C 1.644 178.257 176.600 0.021 0.000 0.982 498 E CA 1.872 58.300 56.400 0.047 0.000 0.809 498 E CB 0.185 29.906 29.700 0.035 0.000 0.756 498 E HN -0.158 8.137 8.360 0.083 0.114 0.459 499 V N -5.094 114.817 119.914 -0.005 0.000 2.649 499 V HA -0.033 nan 4.120 nan 0.000 0.248 499 V C 0.859 176.915 176.094 -0.063 0.000 1.054 499 V CA 1.086 63.359 62.300 -0.046 0.000 1.073 499 V CB -0.100 31.680 31.823 -0.072 0.000 0.699 499 V HN -0.560 7.623 8.190 -0.004 0.005 0.463 500 Y N 2.807 122.998 120.300 -0.182 0.000 2.683 500 Y HA -0.253 nan 4.550 nan 0.000 0.340 500 Y C -1.004 174.849 175.900 -0.079 0.000 1.245 500 Y CA 1.048 59.046 58.100 -0.169 0.000 1.485 500 Y CB 0.719 39.078 38.460 -0.168 0.000 1.328 500 Y HN -0.639 7.663 8.280 0.036 0.000 0.603 501 E N 6.600 126.145 120.200 -1.092 0.000 2.241 501 E HA 0.229 nan 4.350 nan 0.000 0.263 501 E C -1.408 174.651 176.600 -0.901 0.000 0.882 501 E CA -0.923 55.051 56.400 -0.710 0.000 0.769 501 E CB 1.570 31.038 29.700 -0.387 0.000 1.185 501 E HN 0.318 7.819 8.360 -1.431 0.000 0.415 502 G N 4.491 113.022 108.800 -0.449 0.000 2.537 502 G HA2 0.152 nan 3.960 nan 0.000 0.273 502 G HA3 0.152 nan 3.960 nan 0.000 0.273 502 G C -1.672 173.166 174.900 -0.103 0.000 1.189 502 G CA -1.100 43.897 45.100 -0.171 0.000 0.881 502 G HN 0.180 8.317 8.290 -0.256 0.000 0.535 503 P HA 0.168 nan 4.420 nan 0.000 0.269 503 P C -0.694 176.597 177.300 -0.016 0.000 1.215 503 P CA 0.354 63.444 63.100 -0.016 0.000 0.780 503 P CB 0.873 32.582 31.700 0.015 0.000 0.898 504 T N -1.476 113.065 114.554 -0.022 0.000 2.940 504 T HA 0.250 nan 4.350 nan 0.000 0.288 504 T C -0.073 174.617 174.700 -0.017 0.000 1.045 504 T CA -0.921 61.168 62.100 -0.018 0.000 1.018 504 T CB 1.359 70.213 68.868 -0.024 0.000 1.151 504 T HN -0.248 7.976 8.240 -0.026 0.000 0.529 505 L N -0.238 120.975 121.223 -0.017 0.000 2.479 505 L HA 0.305 nan 4.340 nan 0.000 0.249 505 L C 0.478 177.323 176.870 -0.042 0.000 1.178 505 L CA -0.574 54.249 54.840 -0.028 0.000 0.811 505 L CB 0.915 42.961 42.059 -0.022 0.000 1.187 505 L HN 0.127 8.351 8.230 -0.011 0.000 0.480 506 T N -1.218 113.293 114.554 -0.071 0.000 2.901 506 T HA 0.044 nan 4.350 nan 0.000 0.301 506 T C -0.448 174.186 174.700 -0.110 0.000 1.012 506 T CA -0.478 61.566 62.100 -0.095 0.000 1.135 506 T CB 0.093 68.877 68.868 -0.139 0.000 0.936 506 T HN -0.268 7.924 8.240 -0.081 0.000 0.539 507 E N 3.572 123.731 120.200 -0.068 0.000 2.313 507 E HA 0.062 nan 4.350 nan 0.000 0.276 507 E C -0.590 175.988 176.600 -0.037 0.000 1.031 507 E CA -0.406 55.986 56.400 -0.015 0.000 0.857 507 E CB 0.694 30.400 29.700 0.009 0.000 1.040 507 E HN -0.004 8.322 8.360 -0.058 0.000 0.408 508 F N 1.177 121.123 119.950 -0.006 0.000 2.450 508 F HA -0.044 nan 4.527 nan 0.000 0.339 508 F C 1.400 177.197 175.800 -0.006 0.000 1.146 508 F CA 1.085 59.082 58.000 -0.006 0.000 1.267 508 F CB 0.947 39.944 39.000 -0.005 0.000 1.178 508 F HN 0.123 8.592 8.300 0.282 0.000 0.585 509 E N 1.005 121.328 120.200 0.206 0.000 2.219 509 E HA -0.307 nan 4.350 nan 0.000 0.198 509 E C 0.014 176.673 176.600 0.097 0.000 0.998 509 E CA 1.933 58.402 56.400 0.115 0.000 0.818 509 E CB 0.001 29.757 29.700 0.092 0.000 0.741 509 E HN 0.469 8.954 8.360 0.208 0.000 0.477 510 D N -3.358 117.115 120.400 0.122 0.000 2.829 510 D HA 0.013 nan 4.640 nan 0.000 0.250 510 D C -0.691 175.634 176.300 0.042 0.000 1.304 510 D CA 0.041 54.075 54.000 0.056 0.000 1.197 510 D CB 0.365 nan 40.800 nan 0.000 1.501 510 D HN -0.269 8.172 8.370 0.202 0.050 0.424 511 A N 0.000 122.813 122.820 -0.012 0.000 2.254 511 A HA 0.000 nan 4.320 nan 0.000 0.244 511 A CA 0.000 51.970 52.037 -0.112 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 8.115 8.150 -0.059 0.000 0.486