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 3czg_1_A DATA FIRST_RESID 6 DATA SEQUENCE IDPPALRAAF AGPLDPQHAE VLLSRYDQHA SRLLDALHAL YGQRADYASW DATA SEQUENCE LAQWLGEVGD IARQRPQALQ TLDSTRHAGW FGQPHXLGYS AYADRFAGTL DATA SEQUENCE QGVAERVPYL QELGVRYLHL LPFLRARAGD NDGGFAVSDY GQVEPSLGSN DATA SEQUENCE DDLVALTSRL REAGISLCAD FVLNHTADDH AWAQAARAGD ARYLDYYHHF DATA SEQUENCE ADRTVPDRYE ATLGQVXXXX XXGNFTWVDD TAQWXWTTFY PYQWDLNWSN DATA SEQUENCE PAVFGDXALA XLRLANLGVE AFRLDSTAYL WKRIGTDCXN QSEAHTLLVA DATA SEQUENCE LRAVTDIVAP AVVXKAEAIV PXTQLPPYFG SGVDEGHECH LAYHSTLXAA DATA SEQUENCE GWSALALQRG DILHNVIAHS PPLPRHCAWL SYVRCHDDIG WNVLQHEACG DATA SEQUENCE NAAQPPFSLR DVARFYANAV PGSYARGESF XXXXXGVHGT NGXAAALAGI DATA SEQUENCE QAAQEAGDAA ALAVAVDRLV LLYAIALAXP GVPLIYXGDE LAXVNDPGYR DATA SEQUENCE DDPHRQHEGR WLHRPAXDWQ LAAQRHDAKS LSGTVYRRLR GLIRQRAALG DATA SEQUENCE ALAADQALAS IALNDPRVFA LTRGDSFIAL HNFSDQLLDV ELAAIGVDGW DATA SEQUENCE TLLXXXXXXX XXXXXXXXSI VLPPYGVRWL QRG 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.170 176.117 0.088 0.000 1.063 6 I CA 0.000 61.377 61.300 0.128 0.000 1.566 6 I CB 0.000 38.099 38.000 0.166 0.000 1.214 7 D N 2.520 122.970 120.400 0.084 0.000 2.458 7 D HA 0.490 5.130 4.640 0.000 0.000 0.258 7 D C -1.979 174.365 176.300 0.073 0.000 1.134 7 D CA -2.233 51.806 54.000 0.066 0.000 0.915 7 D CB 1.606 42.439 40.800 0.055 0.000 1.028 7 D HN 0.227 nan 8.370 nan 0.000 0.508 8 P HA -0.147 nan 4.420 nan 0.000 0.215 8 P C -1.416 175.943 177.300 0.098 0.000 1.163 8 P CA 1.492 64.651 63.100 0.099 0.000 0.894 8 P CB -0.500 31.250 31.700 0.083 0.000 0.791 9 P HA -0.159 nan 4.420 nan 0.000 0.217 9 P C 1.300 178.621 177.300 0.034 0.000 1.150 9 P CA 1.976 65.105 63.100 0.048 0.000 0.832 9 P CB -0.469 31.252 31.700 0.035 0.000 0.787 10 A N 0.011 122.854 122.820 0.038 0.000 1.930 10 A HA -0.089 4.231 4.320 0.000 0.000 0.217 10 A C 2.451 180.053 177.584 0.030 0.000 1.175 10 A CA 1.128 53.181 52.037 0.027 0.000 0.627 10 A CB -1.454 17.564 19.000 0.030 0.000 0.815 10 A HN 0.119 nan 8.150 nan 0.000 0.443 11 L N -1.250 120.009 121.223 0.060 0.000 2.072 11 L HA -0.123 4.217 4.340 0.000 0.000 0.205 11 L C 2.774 179.682 176.870 0.065 0.000 1.079 11 L CA 1.630 56.521 54.840 0.085 0.000 0.752 11 L CB -0.493 41.653 42.059 0.146 0.000 0.906 11 L HN 0.453 nan 8.230 nan 0.000 0.436 12 R N 0.540 121.060 120.500 0.033 0.000 2.091 12 R HA -0.184 4.156 4.340 0.000 0.000 0.238 12 R C 2.325 178.539 176.300 -0.143 0.000 1.136 12 R CA 1.519 57.494 56.100 -0.209 0.000 0.959 12 R CB -0.235 30.004 30.300 -0.102 0.000 0.856 12 R HN 0.331 nan 8.270 nan 0.000 0.437 13 A N 0.636 123.422 122.820 -0.058 0.000 1.933 13 A HA -0.100 4.220 4.320 0.000 0.000 0.218 13 A C 2.354 179.903 177.584 -0.058 0.000 1.175 13 A CA 1.641 53.646 52.037 -0.052 0.000 0.628 13 A CB -0.762 18.221 19.000 -0.029 0.000 0.814 13 A HN 0.553 nan 8.150 nan 0.000 0.444 14 A N -1.176 121.623 122.820 -0.034 0.000 1.902 14 A HA -0.049 4.272 4.320 0.000 0.000 0.217 14 A C 2.049 179.602 177.584 -0.052 0.000 1.181 14 A CA 1.647 53.661 52.037 -0.038 0.000 0.623 14 A CB -0.679 18.310 19.000 -0.018 0.000 0.818 14 A HN 0.722 nan 8.150 nan 0.000 0.443 15 F N 0.871 120.699 119.950 -0.203 0.000 2.146 15 F HA 0.052 4.579 4.527 0.000 0.000 0.298 15 F C 2.440 178.110 175.800 -0.217 0.000 1.096 15 F CA 1.146 59.003 58.000 -0.238 0.000 1.275 15 F CB -0.419 38.364 39.000 -0.362 0.000 1.008 15 F HN 0.222 nan 8.300 nan 0.000 0.480 16 A N 0.439 123.103 122.820 -0.260 0.000 1.969 16 A HA 0.043 4.363 4.320 0.000 0.000 0.218 16 A C 2.489 179.924 177.584 -0.249 0.000 1.169 16 A CA 1.312 53.177 52.037 -0.286 0.000 0.635 16 A CB -1.812 17.108 19.000 -0.133 0.000 0.810 16 A HN 0.531 nan 8.150 nan 0.000 0.445 17 G N 1.227 109.913 108.800 -0.190 0.000 2.719 17 G HA2 -0.304 3.656 3.960 0.000 0.000 0.219 17 G HA3 -0.304 3.656 3.960 0.000 0.000 0.219 17 G C 0.148 174.954 174.900 -0.157 0.000 1.234 17 G CA 1.444 46.457 45.100 -0.145 0.000 0.788 17 G HN 0.574 nan 8.290 nan 0.000 0.619 18 P HA 0.062 nan 4.420 nan 0.000 0.230 18 P C 0.723 177.912 177.300 -0.186 0.000 1.158 18 P CA 0.259 63.254 63.100 -0.175 0.000 0.769 18 P CB -0.127 31.461 31.700 -0.185 0.000 0.807 19 L N 0.755 121.837 121.223 -0.234 0.000 2.483 19 L HA 0.101 4.442 4.340 0.000 0.000 0.275 19 L C 0.930 177.735 176.870 -0.107 0.000 1.220 19 L CA -0.114 54.609 54.840 -0.195 0.000 0.833 19 L CB -0.254 41.670 42.059 -0.225 0.000 1.102 19 L HN -0.094 nan 8.230 nan 0.000 0.490 20 D N 3.670 124.028 120.400 -0.069 0.000 2.312 20 D HA 0.110 4.750 4.640 0.000 0.000 0.252 20 D C -1.437 174.886 176.300 0.038 0.000 1.150 20 D CA -2.166 51.825 54.000 -0.016 0.000 0.870 20 D CB 1.403 42.190 40.800 -0.021 0.000 1.153 20 D HN 0.209 nan 8.370 nan 0.000 0.457 21 P HA -0.183 nan 4.420 nan 0.000 0.220 21 P C 0.813 178.137 177.300 0.039 0.000 1.144 21 P CA 0.915 64.026 63.100 0.019 0.000 0.800 21 P CB 0.456 32.159 31.700 0.004 0.000 0.772 22 Q N -1.255 118.603 119.800 0.095 0.000 2.444 22 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 22 Q C 0.522 176.477 176.000 -0.075 0.000 0.948 22 Q CA 0.954 56.789 55.803 0.053 0.000 0.946 22 Q CB -0.224 28.581 28.738 0.111 0.000 1.027 22 Q HN 0.585 nan 8.270 nan 0.000 0.513 23 H N -2.548 116.513 119.070 -0.014 0.000 3.367 23 H HA 0.346 4.902 4.556 0.000 0.000 0.257 23 H C 1.111 176.438 175.328 -0.003 0.000 1.201 23 H CA 0.394 56.439 56.048 -0.005 0.000 1.102 23 H CB 0.539 30.295 29.762 -0.010 0.000 1.656 23 H HN 0.137 nan 8.280 nan 0.000 0.662 24 A N 0.783 123.652 122.820 0.081 0.000 1.898 24 A HA -0.146 4.174 4.320 0.000 0.000 0.216 24 A C 2.220 179.839 177.584 0.059 0.000 1.181 24 A CA 1.608 53.670 52.037 0.041 0.000 0.620 24 A CB -0.060 18.942 19.000 0.003 0.000 0.819 24 A HN 0.390 nan 8.150 nan 0.000 0.442 25 E N 0.404 120.629 120.200 0.042 0.000 2.033 25 E HA -0.178 4.172 4.350 0.000 0.000 0.199 25 E C 2.078 178.720 176.600 0.070 0.000 1.011 25 E CA 2.077 58.504 56.400 0.044 0.000 0.815 25 E CB -0.361 29.350 29.700 0.018 0.000 0.755 25 E HN 0.297 nan 8.360 nan 0.000 0.451 26 V N 1.908 121.862 119.914 0.066 0.000 2.287 26 V HA -0.270 3.850 4.120 0.000 0.000 0.248 26 V C 2.714 178.890 176.094 0.137 0.000 1.053 26 V CA 1.356 63.708 62.300 0.088 0.000 1.027 26 V CB -0.519 31.347 31.823 0.073 0.000 0.646 26 V HN 0.328 nan 8.190 nan 0.000 0.447 27 L N -0.692 120.629 121.223 0.162 0.000 2.017 27 L HA -0.151 4.189 4.340 0.000 0.000 0.208 27 L C 2.366 179.426 176.870 0.317 0.000 1.073 27 L CA 2.032 57.018 54.840 0.242 0.000 0.745 27 L CB -1.029 41.170 42.059 0.232 0.000 0.894 27 L HN 0.338 nan 8.230 nan 0.000 0.432 28 L N -1.201 120.176 121.223 0.257 0.000 2.141 28 L HA -0.194 4.146 4.340 0.000 0.000 0.209 28 L C 2.765 179.768 176.870 0.221 0.000 1.094 28 L CA 0.967 55.961 54.840 0.256 0.000 0.763 28 L CB -0.421 41.724 42.059 0.143 0.000 0.908 28 L HN 0.260 nan 8.230 nan 0.000 0.437 29 S N 0.026 115.825 115.700 0.165 0.000 2.368 29 S HA -0.159 4.311 4.470 0.000 0.000 0.225 29 S C 2.142 176.826 174.600 0.139 0.000 1.030 29 S CA 1.155 59.431 58.200 0.126 0.000 0.999 29 S CB -0.028 63.230 63.200 0.097 0.000 0.844 29 S HN 0.356 nan 8.310 nan 0.000 0.459 30 R N -1.024 119.588 120.500 0.186 0.000 2.115 30 R HA -0.043 4.297 4.340 0.000 0.000 0.226 30 R C 2.230 178.660 176.300 0.216 0.000 1.100 30 R CA 1.409 57.650 56.100 0.234 0.000 0.980 30 R CB -0.599 29.854 30.300 0.255 0.000 0.875 30 R HN 0.594 nan 8.270 nan 0.000 0.445 31 Y N 2.523 122.853 120.300 0.049 0.000 2.145 31 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 31 Y C 1.699 177.567 175.900 -0.052 0.000 1.145 31 Y CA 1.662 59.704 58.100 -0.097 0.000 1.148 31 Y CB -0.166 38.151 38.460 -0.238 0.000 0.981 31 Y HN -0.015 nan 8.280 nan 0.000 0.507 32 D N -0.381 120.137 120.400 0.197 0.000 2.178 32 D HA -0.163 4.477 4.640 0.000 0.000 0.201 32 D C 1.814 178.079 176.300 -0.058 0.000 0.980 32 D CA 1.179 55.238 54.000 0.098 0.000 0.842 32 D CB -0.089 40.780 40.800 0.115 0.000 0.948 32 D HN 0.473 nan 8.370 nan 0.000 0.472 33 Q N -0.644 119.084 119.800 -0.120 0.000 2.402 33 Q HA 0.020 4.360 4.340 0.000 0.000 0.206 33 Q C 1.452 177.189 176.000 -0.437 0.000 0.919 33 Q CA 0.696 56.332 55.803 -0.278 0.000 0.923 33 Q CB 0.243 28.774 28.738 -0.346 0.000 1.048 33 Q HN 0.563 nan 8.270 nan 0.000 0.515 34 H N -1.219 117.770 119.070 -0.135 0.000 2.855 34 H HA 0.341 4.897 4.556 0.000 0.000 0.259 34 H C 1.611 176.786 175.328 -0.254 0.000 0.972 34 H CA 0.625 56.573 56.048 -0.166 0.000 1.213 34 H CB 0.486 30.184 29.762 -0.106 0.000 1.451 34 H HN 0.157 nan 8.280 nan 0.000 0.484 35 A N 1.018 123.631 122.820 -0.346 0.000 1.940 35 A HA -0.169 4.151 4.320 0.000 0.000 0.219 35 A C 2.486 179.919 177.584 -0.251 0.000 1.176 35 A CA 1.869 53.588 52.037 -0.530 0.000 0.631 35 A CB -0.488 17.721 19.000 -1.318 0.000 0.814 35 A HN 0.244 nan 8.150 nan 0.000 0.446 36 S N -1.051 114.539 115.700 -0.183 0.000 2.382 36 S HA -0.159 4.311 4.470 0.000 0.000 0.228 36 S C 2.086 176.642 174.600 -0.073 0.000 1.027 36 S CA 1.285 59.426 58.200 -0.098 0.000 0.991 36 S CB -0.313 62.836 63.200 -0.085 0.000 0.823 36 S HN 0.669 nan 8.310 nan 0.000 0.469 37 R N 0.622 121.069 120.500 -0.089 0.000 2.075 37 R HA -0.047 4.293 4.340 0.000 0.000 0.232 37 R C 2.336 178.617 176.300 -0.032 0.000 1.126 37 R CA 1.113 57.165 56.100 -0.079 0.000 0.963 37 R CB -0.425 29.795 30.300 -0.132 0.000 0.858 37 R HN 0.366 nan 8.270 nan 0.000 0.435 38 L N 1.262 122.479 121.223 -0.011 0.000 2.017 38 L HA -0.136 4.204 4.340 0.000 0.000 0.208 38 L C 2.009 178.933 176.870 0.090 0.000 1.073 38 L CA 1.662 56.539 54.840 0.062 0.000 0.745 38 L CB -0.418 41.694 42.059 0.089 0.000 0.894 38 L HN 0.202 nan 8.230 nan 0.000 0.432 39 L N -0.654 120.615 121.223 0.077 0.000 2.093 39 L HA -0.179 4.161 4.340 0.000 0.000 0.208 39 L C 2.251 179.198 176.870 0.129 0.000 1.085 39 L CA 1.181 56.109 54.840 0.147 0.000 0.755 39 L CB -0.835 41.294 42.059 0.116 0.000 0.904 39 L HN 0.281 nan 8.230 nan 0.000 0.435 40 D N 0.186 120.610 120.400 0.040 0.000 2.144 40 D HA -0.143 4.497 4.640 0.000 0.000 0.199 40 D C 2.215 178.515 176.300 -0.001 0.000 0.984 40 D CA 1.462 55.464 54.000 0.004 0.000 0.834 40 D CB 0.019 40.794 40.800 -0.042 0.000 0.955 40 D HN 0.314 nan 8.370 nan 0.000 0.465 41 A N 0.752 123.559 122.820 -0.022 0.000 1.855 41 A HA -0.105 4.215 4.320 0.000 0.000 0.215 41 A C 2.408 179.908 177.584 -0.140 0.000 1.191 41 A CA 0.883 52.867 52.037 -0.087 0.000 0.613 41 A CB -0.827 18.130 19.000 -0.071 0.000 0.829 41 A HN 0.193 nan 8.150 nan 0.000 0.442 42 L N -1.186 120.007 121.223 -0.049 0.000 2.083 42 L HA -0.206 4.134 4.340 0.000 0.000 0.209 42 L C 2.741 179.580 176.870 -0.051 0.000 1.083 42 L CA 1.556 56.396 54.840 -0.001 0.000 0.752 42 L CB -0.733 41.501 42.059 0.292 0.000 0.899 42 L HN 0.616 nan 8.230 nan 0.000 0.433 43 H N 0.616 119.632 119.070 -0.089 0.000 2.387 43 H HA -0.128 4.428 4.556 0.000 0.000 0.299 43 H C 2.086 177.216 175.328 -0.330 0.000 1.090 43 H CA 1.584 57.460 56.048 -0.286 0.000 1.332 43 H CB 0.336 30.032 29.762 -0.111 0.000 1.386 43 H HN 0.310 nan 8.280 nan 0.000 0.516 44 A N 0.828 123.570 122.820 -0.130 0.000 1.972 44 A HA -0.061 4.259 4.320 0.000 0.000 0.219 44 A C 2.755 180.089 177.584 -0.417 0.000 1.169 44 A CA 1.161 53.071 52.037 -0.211 0.000 0.635 44 A CB -0.551 18.337 19.000 -0.187 0.000 0.810 44 A HN 0.422 nan 8.150 nan 0.000 0.446 45 L N -3.135 117.733 121.223 -0.591 0.000 2.168 45 L HA 0.017 4.357 4.340 0.000 0.000 0.203 45 L C 1.601 177.952 176.870 -0.865 0.000 1.078 45 L CA 0.879 55.180 54.840 -0.899 0.000 0.780 45 L CB -0.076 41.166 42.059 -1.361 0.000 0.939 45 L HN 0.507 nan 8.230 nan 0.000 0.451 46 Y N -1.881 118.191 120.300 -0.380 0.000 2.563 46 Y HA 0.328 4.878 4.550 0.000 0.000 0.250 46 Y C 2.142 177.612 175.900 -0.717 0.000 1.126 46 Y CA -0.191 57.664 58.100 -0.408 0.000 1.231 46 Y CB -0.675 37.594 38.460 -0.318 0.000 1.288 46 Y HN -0.056 nan 8.280 nan 0.000 0.537 47 G N 0.602 108.812 108.800 -0.983 0.000 2.507 47 G HA2 -0.240 3.720 3.960 0.000 0.000 0.221 47 G HA3 -0.240 3.720 3.960 0.000 0.000 0.221 47 G C 1.450 175.969 174.900 -0.636 0.000 1.119 47 G CA 1.048 45.360 45.100 -1.314 0.000 0.751 47 G HN 0.237 nan 8.290 nan 0.000 0.574 48 Q N -0.002 119.562 119.800 -0.395 0.000 2.435 48 Q HA 0.110 4.450 4.340 0.000 0.000 0.207 48 Q C 1.222 177.177 176.000 -0.074 0.000 0.956 48 Q CA 0.104 55.801 55.803 -0.177 0.000 0.917 48 Q CB 0.102 28.764 28.738 -0.127 0.000 0.997 48 Q HN 0.464 nan 8.270 nan 0.000 0.497 49 R N 0.052 120.519 120.500 -0.056 0.000 2.643 49 R HA 0.221 4.562 4.340 0.000 0.000 0.270 49 R C 1.129 177.478 176.300 0.082 0.000 1.061 49 R CA 0.350 56.466 56.100 0.026 0.000 1.107 49 R CB 0.555 30.883 30.300 0.047 0.000 0.999 49 R HN 0.079 nan 8.270 nan 0.000 0.460 50 A N 2.305 125.165 122.820 0.066 0.000 2.014 50 A HA -0.158 4.162 4.320 0.000 0.000 0.218 50 A C 1.226 178.874 177.584 0.107 0.000 1.163 50 A CA 1.605 53.690 52.037 0.079 0.000 0.652 50 A CB -0.196 18.835 19.000 0.052 0.000 0.808 50 A HN 0.841 nan 8.150 nan 0.000 0.449 51 D N -2.505 117.958 120.400 0.106 0.000 2.340 51 D HA -0.086 4.555 4.640 0.000 0.000 0.220 51 D C 1.319 177.741 176.300 0.202 0.000 1.039 51 D CA 0.149 54.222 54.000 0.122 0.000 0.866 51 D CB -0.600 40.246 40.800 0.077 0.000 0.913 51 D HN 0.431 nan 8.370 nan 0.000 0.523 52 Y N 2.244 122.604 120.300 0.101 0.000 2.014 52 Y HA -0.314 4.236 4.550 0.000 0.000 0.272 52 Y C 2.581 178.652 175.900 0.285 0.000 1.164 52 Y CA 2.473 60.683 58.100 0.183 0.000 1.114 52 Y CB -0.863 37.667 38.460 0.117 0.000 0.961 52 Y HN 0.059 nan 8.280 nan 0.000 0.489 53 A N -0.376 122.484 122.820 0.066 0.000 1.908 53 A HA -0.250 4.070 4.320 0.000 0.000 0.218 53 A C 2.484 180.055 177.584 -0.021 0.000 1.181 53 A CA 2.828 54.842 52.037 -0.038 0.000 0.627 53 A CB -1.434 17.618 19.000 0.087 0.000 0.818 53 A HN 0.670 nan 8.150 nan 0.000 0.445 54 S N -1.766 113.967 115.700 0.055 0.000 2.355 54 S HA -0.226 4.244 4.470 0.000 0.000 0.222 54 S C 1.785 176.418 174.600 0.055 0.000 1.031 54 S CA 1.393 59.626 58.200 0.054 0.000 0.993 54 S CB -0.941 62.306 63.200 0.078 0.000 0.859 54 S HN 0.822 nan 8.310 nan 0.000 0.453 55 W N 2.168 123.435 121.300 -0.055 0.000 2.335 55 W HA -0.046 4.614 4.660 0.000 0.000 0.311 55 W C 1.942 178.462 176.519 0.002 0.000 1.213 55 W CA 1.133 58.454 57.345 -0.040 0.000 1.274 55 W CB -0.708 28.697 29.460 -0.092 0.000 1.148 55 W HN 0.313 nan 8.180 nan 0.000 0.498 56 L N 1.906 122.937 121.223 -0.319 0.000 2.012 56 L HA -0.082 4.258 4.340 0.000 0.000 0.210 56 L C 2.542 179.240 176.870 -0.287 0.000 1.073 56 L CA 3.006 57.518 54.840 -0.546 0.000 0.748 56 L CB -1.565 40.275 42.059 -0.365 0.000 0.891 56 L HN 0.117 nan 8.230 nan 0.000 0.431 57 A N -0.973 121.749 122.820 -0.164 0.000 1.902 57 A HA -0.267 4.053 4.320 0.000 0.000 0.217 57 A C 2.277 179.800 177.584 -0.102 0.000 1.181 57 A CA 1.828 53.813 52.037 -0.087 0.000 0.623 57 A CB -0.792 18.181 19.000 -0.045 0.000 0.818 57 A HN 0.676 nan 8.150 nan 0.000 0.443 58 Q N -1.410 118.314 119.800 -0.127 0.000 2.046 58 Q HA -0.221 4.119 4.340 0.000 0.000 0.200 58 Q C 2.014 177.947 176.000 -0.113 0.000 0.975 58 Q CA 2.127 57.871 55.803 -0.097 0.000 0.836 58 Q CB -0.511 28.191 28.738 -0.060 0.000 0.896 58 Q HN 0.770 nan 8.270 nan 0.000 0.428 59 W N 1.467 122.490 121.300 -0.461 0.000 2.358 59 W HA -0.118 4.543 4.660 0.000 0.000 0.303 59 W C 1.968 178.371 176.519 -0.193 0.000 1.208 59 W CA 1.444 58.541 57.345 -0.415 0.000 1.274 59 W CB -0.504 28.441 29.460 -0.858 0.000 1.138 59 W HN 0.156 nan 8.180 nan 0.000 0.515 60 L N 0.531 121.567 121.223 -0.311 0.000 2.131 60 L HA -0.124 4.216 4.340 0.000 0.000 0.210 60 L C 2.622 179.377 176.870 -0.191 0.000 1.092 60 L CA 1.434 56.084 54.840 -0.318 0.000 0.759 60 L CB -1.422 40.614 42.059 -0.037 0.000 0.903 60 L HN 0.250 nan 8.230 nan 0.000 0.435 61 G N -0.416 108.286 108.800 -0.163 0.000 2.402 61 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 61 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 61 G C 1.408 176.202 174.900 -0.176 0.000 1.162 61 G CA 0.417 45.431 45.100 -0.144 0.000 0.777 61 G HN 0.416 nan 8.290 nan 0.000 0.539 62 E N 0.037 120.122 120.200 -0.192 0.000 2.106 62 E HA -0.067 4.283 4.350 0.000 0.000 0.192 62 E C 2.701 179.172 176.600 -0.214 0.000 0.984 62 E CA 0.788 57.093 56.400 -0.159 0.000 0.806 62 E CB -0.101 29.546 29.700 -0.088 0.000 0.750 62 E HN 0.303 nan 8.360 nan 0.000 0.458 63 V N 1.028 120.717 119.914 -0.374 0.000 2.295 63 V HA -0.199 3.921 4.120 0.000 0.000 0.246 63 V C 2.390 178.402 176.094 -0.136 0.000 1.049 63 V CA 2.041 64.163 62.300 -0.297 0.000 1.024 63 V CB -0.978 30.553 31.823 -0.486 0.000 0.648 63 V HN 0.415 nan 8.190 nan 0.000 0.447 64 G N -0.694 107.968 108.800 -0.231 0.000 2.422 64 G HA2 -0.314 3.647 3.960 0.000 0.000 0.218 64 G HA3 -0.314 3.647 3.960 0.000 0.000 0.218 64 G C 1.447 176.142 174.900 -0.341 0.000 1.146 64 G CA 0.991 45.752 45.100 -0.566 0.000 0.769 64 G HN 0.507 nan 8.290 nan 0.000 0.547 65 D N 0.478 120.743 120.400 -0.226 0.000 2.144 65 D HA -0.093 4.547 4.640 0.000 0.000 0.200 65 D C 2.458 178.691 176.300 -0.112 0.000 0.978 65 D CA 0.445 54.352 54.000 -0.154 0.000 0.833 65 D CB -0.054 40.680 40.800 -0.110 0.000 0.961 65 D HN 0.189 nan 8.370 nan 0.000 0.470 66 I N 1.156 121.672 120.570 -0.090 0.000 2.353 66 I HA -0.143 4.027 4.170 0.000 0.000 0.248 66 I C 2.574 178.665 176.117 -0.043 0.000 1.119 66 I CA 0.604 61.876 61.300 -0.046 0.000 1.417 66 I CB -1.341 36.648 38.000 -0.017 0.000 1.078 66 I HN -0.071 nan 8.210 nan 0.000 0.421 67 A N 0.891 123.676 122.820 -0.058 0.000 1.908 67 A HA -0.242 4.079 4.320 0.000 0.000 0.218 67 A C 2.541 180.084 177.584 -0.070 0.000 1.181 67 A CA 1.686 53.705 52.037 -0.031 0.000 0.627 67 A CB -0.687 18.300 19.000 -0.022 0.000 0.818 67 A HN 0.344 nan 8.150 nan 0.000 0.445 68 R N -0.253 120.173 120.500 -0.123 0.000 2.096 68 R HA -0.158 4.182 4.340 0.000 0.000 0.235 68 R C 2.012 178.239 176.300 -0.122 0.000 1.127 68 R CA 1.764 57.782 56.100 -0.137 0.000 0.968 68 R CB -0.283 29.929 30.300 -0.147 0.000 0.861 68 R HN 0.702 nan 8.270 nan 0.000 0.440 69 Q N 0.121 119.869 119.800 -0.086 0.000 2.436 69 Q HA -0.059 4.281 4.340 0.000 0.000 0.209 69 Q C 0.346 176.315 176.000 -0.052 0.000 0.965 69 Q CA 0.160 55.924 55.803 -0.066 0.000 0.910 69 Q CB -0.031 28.683 28.738 -0.041 0.000 0.980 69 Q HN 0.141 nan 8.270 nan 0.000 0.491 70 R N 2.373 122.846 120.500 -0.046 0.000 2.502 70 R HA 0.031 4.371 4.340 0.000 0.000 0.292 70 R C -2.397 173.879 176.300 -0.040 0.000 0.998 70 R CA -1.349 54.737 56.100 -0.023 0.000 1.056 70 R CB 0.322 30.622 30.300 0.000 0.000 0.939 70 R HN -0.136 nan 8.270 nan 0.000 0.411 71 P HA -0.091 nan 4.420 nan 0.000 0.265 71 P C -0.298 176.991 177.300 -0.019 0.000 1.187 71 P CA 0.013 63.097 63.100 -0.027 0.000 0.766 71 P CB 0.754 32.446 31.700 -0.014 0.000 0.820 72 Q N 4.337 124.127 119.800 -0.018 0.000 2.112 72 Q HA -0.241 4.099 4.340 0.000 0.000 0.206 72 Q C 1.935 177.950 176.000 0.025 0.000 0.987 72 Q CA 2.608 58.423 55.803 0.021 0.000 0.858 72 Q CB -1.241 27.522 28.738 0.041 0.000 0.905 72 Q HN 0.513 nan 8.270 nan 0.000 0.420 73 A N -0.116 122.708 122.820 0.006 0.000 1.940 73 A HA -0.149 4.171 4.320 0.000 0.000 0.219 73 A C 2.109 179.686 177.584 -0.010 0.000 1.176 73 A CA 1.582 53.617 52.037 -0.003 0.000 0.631 73 A CB -0.670 18.323 19.000 -0.012 0.000 0.814 73 A HN 0.466 nan 8.150 nan 0.000 0.446 74 L N -1.389 119.830 121.223 -0.007 0.000 2.162 74 L HA -0.139 4.201 4.340 0.000 0.000 0.205 74 L C 2.799 179.672 176.870 0.004 0.000 1.086 74 L CA 0.945 55.778 54.840 -0.011 0.000 0.778 74 L CB -0.499 41.557 42.059 -0.005 0.000 0.928 74 L HN 0.456 nan 8.230 nan 0.000 0.446 75 Q N -0.535 119.280 119.800 0.025 0.000 2.170 75 Q HA -0.166 4.174 4.340 0.000 0.000 0.203 75 Q C 2.118 178.148 176.000 0.050 0.000 0.976 75 Q CA 1.877 57.714 55.803 0.056 0.000 0.858 75 Q CB -0.123 28.674 28.738 0.098 0.000 0.907 75 Q HN 0.463 nan 8.270 nan 0.000 0.433 76 T N 1.464 116.038 114.554 0.033 0.000 2.821 76 T HA -0.075 4.275 4.350 0.000 0.000 0.267 76 T C 1.764 176.458 174.700 -0.009 0.000 1.046 76 T CA 0.504 62.614 62.100 0.017 0.000 1.139 76 T CB -0.100 68.774 68.868 0.009 0.000 0.871 76 T HN 0.211 nan 8.240 nan 0.000 0.454 77 L N 1.106 122.311 121.223 -0.031 0.000 2.046 77 L HA -0.154 4.186 4.340 0.000 0.000 0.208 77 L C 2.177 179.005 176.870 -0.069 0.000 1.077 77 L CA 1.686 56.480 54.840 -0.077 0.000 0.747 77 L CB -0.505 41.492 42.059 -0.105 0.000 0.896 77 L HN 0.228 nan 8.230 nan 0.000 0.432 78 D N -0.623 119.762 120.400 -0.025 0.000 2.149 78 D HA -0.157 4.483 4.640 0.000 0.000 0.198 78 D C 2.202 178.522 176.300 0.033 0.000 0.990 78 D CA 1.388 55.394 54.000 0.009 0.000 0.839 78 D CB 0.107 40.935 40.800 0.046 0.000 0.948 78 D HN 0.240 nan 8.370 nan 0.000 0.460 79 S N -0.819 114.901 115.700 0.034 0.000 2.501 79 S HA -0.036 4.434 4.470 0.000 0.000 0.220 79 S C 1.980 176.612 174.600 0.053 0.000 0.997 79 S CA 1.028 59.259 58.200 0.052 0.000 0.919 79 S CB 0.310 63.538 63.200 0.047 0.000 0.778 79 S HN 0.480 nan 8.310 nan 0.000 0.523 80 T N -0.501 114.063 114.554 0.017 0.000 3.023 80 T HA 0.215 4.566 4.350 0.000 0.000 0.249 80 T C 0.746 175.423 174.700 -0.037 0.000 1.050 80 T CA -0.297 61.805 62.100 0.003 0.000 1.088 80 T CB -0.071 68.773 68.868 -0.039 0.000 0.946 80 T HN 0.152 nan 8.240 nan 0.000 0.480 81 R N 1.481 121.940 120.500 -0.068 0.000 2.537 81 R HA 0.169 4.509 4.340 0.000 0.000 0.280 81 R C -0.742 175.622 176.300 0.107 0.000 1.058 81 R CA -0.205 55.824 56.100 -0.119 0.000 1.057 81 R CB 0.150 30.270 30.300 -0.300 0.000 0.973 81 R HN 0.551 nan 8.270 nan 0.000 0.438 82 H N 1.585 120.695 119.070 0.066 0.000 2.482 82 H HA 0.313 4.869 4.556 0.000 0.000 0.344 82 H C 0.085 175.512 175.328 0.166 0.000 1.151 82 H CA -0.716 55.388 56.048 0.094 0.000 1.300 82 H CB 1.586 31.396 29.762 0.081 0.000 1.494 82 H HN 0.788 nan 8.280 nan 0.000 0.542 83 A N 1.439 124.347 122.820 0.148 0.000 2.531 83 A HA 0.338 4.658 4.320 0.000 0.000 0.236 83 A C 1.453 178.955 177.584 -0.137 0.000 1.062 83 A CA 0.607 52.607 52.037 -0.062 0.000 0.760 83 A CB -0.761 17.890 19.000 -0.582 0.000 0.995 83 A HN 1.090 nan 8.150 nan 0.000 0.501 84 G N 0.764 109.446 108.800 -0.196 0.000 2.179 84 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 84 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 84 G C 0.964 175.421 174.900 -0.738 0.000 0.977 84 G CA 0.972 45.725 45.100 -0.579 0.000 0.641 84 G HN 1.632 nan 8.290 nan 0.000 0.533 85 W N 1.258 122.377 121.300 -0.302 0.000 2.305 85 W HA -0.145 4.516 4.660 0.000 0.000 0.308 85 W C 1.984 178.390 176.519 -0.187 0.000 1.226 85 W CA 1.712 58.977 57.345 -0.135 0.000 1.253 85 W CB -1.716 27.764 29.460 0.034 0.000 1.146 85 W HN 0.707 nan 8.180 nan 0.000 0.507 86 F N 1.215 120.540 119.950 -1.041 0.000 2.546 86 F HA 0.359 4.886 4.527 0.000 0.000 0.298 86 F C 2.090 177.609 175.800 -0.469 0.000 1.120 86 F CA 0.946 58.377 58.000 -0.948 0.000 1.456 86 F CB -1.472 36.729 39.000 -1.331 0.000 1.088 86 F HN -0.117 nan 8.300 nan 0.000 0.572 87 G N -0.068 108.253 108.800 -0.799 0.000 3.189 87 G HA2 0.071 4.031 3.960 0.000 0.000 0.225 87 G HA3 0.071 4.031 3.960 0.000 0.000 0.225 87 G C 0.460 175.174 174.900 -0.309 0.000 1.159 87 G CA -0.289 44.539 45.100 -0.453 0.000 0.763 87 G HN 0.130 nan 8.290 nan 0.000 0.549 88 Q N 0.343 119.955 119.800 -0.314 0.000 2.421 88 Q HA 0.139 4.479 4.340 0.000 0.000 0.255 88 Q C -1.458 174.366 176.000 -0.294 0.000 1.013 88 Q CA -1.839 53.810 55.803 -0.257 0.000 0.895 88 Q CB 1.209 29.815 28.738 -0.220 0.000 1.271 88 Q HN 0.015 nan 8.270 nan 0.000 0.460 89 P HA -0.173 nan 4.420 nan 0.000 0.217 89 P C 0.306 177.579 177.300 -0.045 0.000 1.148 89 P CA 1.476 64.526 63.100 -0.083 0.000 0.828 89 P CB -0.032 31.657 31.700 -0.019 0.000 0.783 93 G N 2.588 111.502 108.800 0.189 0.000 2.471 93 G HA2 0.638 4.598 3.960 0.000 0.000 0.332 93 G HA3 0.638 4.598 3.960 0.000 0.000 0.332 93 G C -2.292 172.837 174.900 0.382 0.000 1.176 93 G CA -0.405 44.875 45.100 0.300 0.000 0.949 93 G HN 0.595 nan 8.290 nan 0.000 0.488 94 Y N -0.096 120.349 120.300 0.242 0.000 2.399 94 Y HA 0.559 5.109 4.550 0.000 0.000 0.327 94 Y C -0.443 175.564 175.900 0.179 0.000 1.111 94 Y CA -0.854 57.349 58.100 0.171 0.000 1.047 94 Y CB 2.343 40.852 38.460 0.082 0.000 1.259 94 Y HN 0.652 nan 8.280 nan 0.000 0.434 95 S N 4.319 120.009 115.700 -0.017 0.000 2.473 95 S HA 0.969 5.439 4.470 0.000 0.000 0.307 95 S C -1.149 173.353 174.600 -0.162 0.000 1.094 95 S CA 0.255 58.477 58.200 0.037 0.000 1.070 95 S CB 0.714 64.063 63.200 0.248 0.000 1.019 95 S HN 1.115 nan 8.310 nan 0.000 0.480 96 A N 3.450 126.143 122.820 -0.213 0.000 2.601 96 A HA 0.675 4.995 4.320 0.000 0.000 0.291 96 A C -2.186 175.292 177.584 -0.176 0.000 1.075 96 A CA -0.683 51.243 52.037 -0.185 0.000 0.671 96 A CB 0.586 19.494 19.000 -0.153 0.000 1.277 96 A HN 0.743 nan 8.150 nan 0.000 0.417 97 Y N 0.733 121.067 120.300 0.056 0.000 2.304 97 Y HA 0.445 4.995 4.550 0.000 0.000 0.328 97 Y C 1.561 177.554 175.900 0.155 0.000 1.123 97 Y CA 0.774 58.932 58.100 0.097 0.000 1.218 97 Y CB 1.652 40.202 38.460 0.150 0.000 1.207 97 Y HN 0.869 nan 8.280 nan 0.000 0.495 98 A N 2.101 125.097 122.820 0.293 0.000 1.902 98 A HA -0.210 4.110 4.320 0.000 0.000 0.217 98 A C 1.972 179.720 177.584 0.274 0.000 1.181 98 A CA 1.954 54.146 52.037 0.257 0.000 0.623 98 A CB -0.570 18.523 19.000 0.155 0.000 0.818 98 A HN 0.905 nan 8.150 nan 0.000 0.443 99 D N -0.654 119.889 120.400 0.238 0.000 2.144 99 D HA -0.180 4.460 4.640 0.000 0.000 0.200 99 D C 1.707 178.110 176.300 0.173 0.000 0.978 99 D CA 0.953 55.051 54.000 0.165 0.000 0.833 99 D CB -0.482 40.381 40.800 0.104 0.000 0.961 99 D HN 0.285 nan 8.370 nan 0.000 0.470 100 R N -0.419 120.218 120.500 0.229 0.000 2.115 100 R HA 0.014 4.354 4.340 0.000 0.000 0.226 100 R C 2.166 178.617 176.300 0.253 0.000 1.100 100 R CA 0.278 56.499 56.100 0.202 0.000 0.980 100 R CB -1.175 29.269 30.300 0.240 0.000 0.875 100 R HN 0.287 nan 8.270 nan 0.000 0.445 101 F N 0.642 120.695 119.950 0.170 0.000 2.118 101 F HA 0.095 4.622 4.527 0.000 0.000 0.293 101 F C 1.198 177.210 175.800 0.354 0.000 1.102 101 F CA 1.450 59.574 58.000 0.205 0.000 1.247 101 F CB 0.132 39.274 39.000 0.236 0.000 1.017 101 F HN -0.003 nan 8.300 nan 0.000 0.475 102 A N -1.485 121.474 122.820 0.232 0.000 2.515 102 A HA 0.551 4.871 4.320 0.000 0.000 0.253 102 A C 1.196 178.823 177.584 0.071 0.000 0.863 102 A CA 0.477 52.561 52.037 0.079 0.000 1.124 102 A CB -0.617 18.352 19.000 -0.051 0.000 1.214 102 A HN 0.953 nan 8.150 nan 0.000 0.470 103 G N 0.306 109.169 108.800 0.105 0.000 3.548 103 G HA2 -0.224 3.736 3.960 0.000 0.000 0.224 103 G HA3 -0.224 3.736 3.960 0.000 0.000 0.224 103 G C 0.828 175.766 174.900 0.064 0.000 1.351 103 G CA 1.223 46.362 45.100 0.066 0.000 0.905 103 G HN 2.171 nan 8.290 nan 0.000 0.561 104 T N -2.329 112.256 114.554 0.053 0.000 2.812 104 T HA 0.712 5.062 4.350 0.000 0.000 0.294 104 T C 1.302 176.025 174.700 0.038 0.000 1.159 104 T CA -0.023 62.102 62.100 0.041 0.000 1.008 104 T CB 1.428 70.306 68.868 0.016 0.000 1.289 104 T HN 0.457 nan 8.240 nan 0.000 0.514 105 L N 0.312 121.543 121.223 0.012 0.000 2.083 105 L HA -0.107 4.233 4.340 0.000 0.000 0.209 105 L C 3.034 179.898 176.870 -0.010 0.000 1.083 105 L CA 1.369 56.198 54.840 -0.018 0.000 0.752 105 L CB -0.621 41.401 42.059 -0.062 0.000 0.899 105 L HN 0.747 nan 8.230 nan 0.000 0.433 106 Q N -0.210 119.583 119.800 -0.012 0.000 2.167 106 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 106 Q C 2.323 178.309 176.000 -0.023 0.000 0.970 106 Q CA 1.302 57.093 55.803 -0.019 0.000 0.855 106 Q CB -0.267 28.457 28.738 -0.024 0.000 0.911 106 Q HN 0.611 nan 8.270 nan 0.000 0.438 107 G N 0.299 109.087 108.800 -0.019 0.000 2.402 107 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 107 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 107 G C 1.509 176.399 174.900 -0.018 0.000 1.162 107 G CA 0.704 45.776 45.100 -0.046 0.000 0.777 107 G HN 0.188 nan 8.290 nan 0.000 0.539 108 V N 1.661 121.621 119.914 0.077 0.000 2.295 108 V HA -0.155 3.965 4.120 0.000 0.000 0.246 108 V C 3.345 179.522 176.094 0.138 0.000 1.049 108 V CA 2.011 64.438 62.300 0.211 0.000 1.024 108 V CB -0.924 31.029 31.823 0.217 0.000 0.648 108 V HN 0.466 nan 8.190 nan 0.000 0.447 109 A N 0.856 123.708 122.820 0.053 0.000 1.940 109 A HA -0.277 4.043 4.320 0.000 0.000 0.219 109 A C 2.191 179.782 177.584 0.011 0.000 1.176 109 A CA 2.007 54.060 52.037 0.028 0.000 0.631 109 A CB -0.527 18.472 19.000 -0.002 0.000 0.814 109 A HN 0.824 nan 8.150 nan 0.000 0.446 110 E N -1.394 118.789 120.200 -0.029 0.000 2.427 110 E HA -0.081 4.269 4.350 0.000 0.000 0.196 110 E C 1.294 177.836 176.600 -0.097 0.000 1.028 110 E CA 0.332 56.688 56.400 -0.072 0.000 0.864 110 E CB -0.039 29.590 29.700 -0.118 0.000 0.813 110 E HN 0.312 nan 8.360 nan 0.000 0.514 111 R N 0.730 121.193 120.500 -0.062 0.000 2.359 111 R HA 0.168 4.508 4.340 0.000 0.000 0.231 111 R C 1.742 178.167 176.300 0.209 0.000 0.913 111 R CA 0.069 56.144 56.100 -0.042 0.000 1.075 111 R CB 0.125 30.328 30.300 -0.161 0.000 1.087 111 R HN 0.136 nan 8.270 nan 0.000 0.515 112 V N 1.789 121.793 119.914 0.151 0.000 2.469 112 V HA -0.164 3.956 4.120 0.000 0.000 0.251 112 V C -0.831 175.346 176.094 0.139 0.000 1.064 112 V CA 1.876 64.266 62.300 0.150 0.000 1.066 112 V CB -0.950 30.922 31.823 0.082 0.000 0.667 112 V HN 0.174 nan 8.190 nan 0.000 0.461 113 P HA -0.198 nan 4.420 nan 0.000 0.216 113 P C 1.561 178.953 177.300 0.153 0.000 1.150 113 P CA 1.422 64.584 63.100 0.103 0.000 0.837 113 P CB -0.112 31.632 31.700 0.074 0.000 0.786 114 Y N 0.390 120.765 120.300 0.126 0.000 2.145 114 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 114 Y C 2.003 178.000 175.900 0.163 0.000 1.145 114 Y CA 1.536 59.758 58.100 0.204 0.000 1.148 114 Y CB -1.034 37.653 38.460 0.378 0.000 0.981 114 Y HN -0.207 nan 8.280 nan 0.000 0.507 115 L N -0.143 121.197 121.223 0.194 0.000 2.046 115 L HA -0.268 4.072 4.340 0.000 0.000 0.208 115 L C 2.540 179.383 176.870 -0.044 0.000 1.077 115 L CA 1.645 56.476 54.840 -0.014 0.000 0.747 115 L CB -0.675 41.400 42.059 0.027 0.000 0.896 115 L HN 0.303 nan 8.230 nan 0.000 0.432 116 Q N -0.097 119.712 119.800 0.016 0.000 2.084 116 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 116 Q C 2.130 178.133 176.000 0.005 0.000 0.978 116 Q CA 1.591 57.406 55.803 0.019 0.000 0.844 116 Q CB -0.066 28.694 28.738 0.036 0.000 0.898 116 Q HN 0.524 nan 8.270 nan 0.000 0.426 117 E N 0.266 120.462 120.200 -0.006 0.000 2.153 117 E HA -0.191 4.159 4.350 0.000 0.000 0.194 117 E C 1.801 178.408 176.600 0.012 0.000 0.988 117 E CA 0.674 57.085 56.400 0.018 0.000 0.811 117 E CB -0.018 29.702 29.700 0.033 0.000 0.746 117 E HN 0.158 nan 8.360 nan 0.000 0.466 118 L N -0.517 120.655 121.223 -0.086 0.000 2.313 118 L HA 0.080 4.420 4.340 0.000 0.000 0.214 118 L C 1.342 178.157 176.870 -0.093 0.000 1.119 118 L CA 1.853 56.603 54.840 -0.150 0.000 0.809 118 L CB 0.107 42.008 42.059 -0.263 0.000 0.933 118 L HN 0.229 nan 8.230 nan 0.000 0.449 119 G N -1.419 107.361 108.800 -0.033 0.000 2.148 119 G HA2 -0.202 3.758 3.960 0.000 0.000 0.203 119 G HA3 -0.202 3.758 3.960 0.000 0.000 0.203 119 G C 0.209 175.142 174.900 0.055 0.000 0.993 119 G CA 0.047 45.159 45.100 0.020 0.000 0.661 119 G HN 0.212 nan 8.290 nan 0.000 0.518 120 V N 1.334 121.268 119.914 0.033 0.000 2.599 120 V HA 0.324 4.444 4.120 0.000 0.000 0.300 120 V C 1.381 177.554 176.094 0.131 0.000 1.034 120 V CA 0.458 62.809 62.300 0.085 0.000 1.115 120 V CB 1.205 33.040 31.823 0.020 0.000 0.934 120 V HN 0.378 nan 8.190 nan 0.000 0.485 121 R N 3.224 123.846 120.500 0.203 0.000 2.541 121 R HA 0.224 4.565 4.340 0.000 0.000 0.332 121 R C -0.817 175.684 176.300 0.335 0.000 0.951 121 R CA -0.037 56.212 56.100 0.248 0.000 1.136 121 R CB 0.589 31.070 30.300 0.302 0.000 1.449 121 R HN 0.710 nan 8.270 nan 0.000 0.531 122 Y N 0.553 120.947 120.300 0.158 0.000 2.330 122 Y HA 0.437 4.988 4.550 0.000 0.000 0.324 122 Y C -1.792 174.207 175.900 0.165 0.000 1.093 122 Y CA -1.461 56.738 58.100 0.165 0.000 1.103 122 Y CB 1.298 39.850 38.460 0.153 0.000 1.183 122 Y HN -0.074 nan 8.280 nan 0.000 0.433 123 L N 6.942 128.194 121.223 0.048 0.000 2.325 123 L HA 0.463 4.803 4.340 0.000 0.000 0.281 123 L C -1.320 175.580 176.870 0.050 0.000 1.004 123 L CA -0.358 54.543 54.840 0.101 0.000 0.823 123 L CB 0.970 43.054 42.059 0.041 0.000 1.236 123 L HN 0.787 nan 8.230 nan 0.000 0.415 124 H N 6.265 125.375 119.070 0.067 0.000 2.556 124 H HA 0.417 4.973 4.556 0.000 0.000 0.310 124 H C -1.406 173.952 175.328 0.050 0.000 1.057 124 H CA -0.865 55.218 56.048 0.058 0.000 1.264 124 H CB 0.947 30.808 29.762 0.166 0.000 1.404 124 H HN 0.609 nan 8.280 nan 0.000 0.462 125 L N 6.956 128.213 121.223 0.056 0.000 2.282 125 L HA 0.235 4.575 4.340 0.000 0.000 0.288 125 L C 0.071 176.908 176.870 -0.055 0.000 1.033 125 L CA -0.680 54.138 54.840 -0.037 0.000 0.807 125 L CB 1.589 43.659 42.059 0.018 0.000 1.209 125 L HN 0.556 nan 8.230 nan 0.000 0.423 126 L N 4.688 125.702 121.223 -0.348 0.000 2.479 126 L HA 0.100 4.440 4.340 0.000 0.000 0.270 126 L C -1.778 175.040 176.870 -0.087 0.000 1.236 126 L CA -1.400 53.206 54.840 -0.390 0.000 0.823 126 L CB -0.149 41.426 42.059 -0.807 0.000 1.098 126 L HN 0.390 nan 8.230 nan 0.000 0.500 127 P HA -0.203 nan 4.420 nan 0.000 0.241 127 P C -0.413 176.829 177.300 -0.097 0.000 1.093 127 P CA 1.035 63.921 63.100 -0.356 0.000 0.843 127 P CB -0.281 31.034 31.700 -0.642 0.000 0.760 128 F N 1.976 121.908 119.950 -0.030 0.000 2.688 128 F HA 0.349 4.876 4.527 0.000 0.000 0.310 128 F C 0.061 175.864 175.800 0.006 0.000 1.098 128 F CA -0.686 57.319 58.000 0.008 0.000 1.228 128 F CB -0.332 38.683 39.000 0.025 0.000 1.042 128 F HN -0.053 nan 8.300 nan 0.000 0.557 129 L N 1.374 122.461 121.223 -0.227 0.000 2.421 129 L HA 0.398 4.738 4.340 0.000 0.000 0.263 129 L C 0.974 177.791 176.870 -0.088 0.000 1.122 129 L CA -1.051 53.713 54.840 -0.126 0.000 0.804 129 L CB 0.694 42.633 42.059 -0.200 0.000 1.150 129 L HN 0.056 nan 8.230 nan 0.000 0.457 130 R N 1.338 121.789 120.500 -0.082 0.000 2.485 130 R HA 0.172 4.512 4.340 0.000 0.000 0.304 130 R C -0.516 175.708 176.300 -0.126 0.000 0.934 130 R CA 0.087 56.130 56.100 -0.096 0.000 1.102 130 R CB 0.250 30.475 30.300 -0.124 0.000 0.906 130 R HN 0.727 nan 8.270 nan 0.000 0.407 131 A N 4.515 127.282 122.820 -0.089 0.000 2.322 131 A HA 0.396 4.716 4.320 0.000 0.000 0.327 131 A C -0.445 177.088 177.584 -0.085 0.000 1.134 131 A CA -0.844 51.146 52.037 -0.078 0.000 0.831 131 A CB 0.919 19.897 19.000 -0.036 0.000 1.288 131 A HN 0.872 nan 8.150 nan 0.000 0.472 132 R N 0.378 120.829 120.500 -0.081 0.000 2.619 132 R HA 0.219 4.559 4.340 0.000 0.000 0.268 132 R C 0.400 176.622 176.300 -0.130 0.000 0.990 132 R CA 0.578 56.606 56.100 -0.119 0.000 1.092 132 R CB 0.171 30.384 30.300 -0.145 0.000 0.935 132 R HN 0.887 nan 8.270 nan 0.000 0.415 133 A N 3.363 126.103 122.820 -0.134 0.000 2.477 133 A HA 0.452 4.773 4.320 0.000 0.000 0.246 133 A C 0.964 178.459 177.584 -0.147 0.000 1.078 133 A CA 0.560 52.525 52.037 -0.119 0.000 0.770 133 A CB 0.044 18.979 19.000 -0.110 0.000 1.011 133 A HN 1.126 nan 8.150 nan 0.000 0.494 134 G N 2.081 110.807 108.800 -0.123 0.000 2.509 134 G HA2 -0.181 3.780 3.960 0.000 0.000 0.256 134 G HA3 -0.181 3.780 3.960 0.000 0.000 0.256 134 G C -0.431 174.384 174.900 -0.142 0.000 1.152 134 G CA 0.116 45.132 45.100 -0.141 0.000 0.951 134 G HN 0.898 nan 8.290 nan 0.000 0.559 135 D N 2.728 122.991 120.400 -0.229 0.000 2.390 135 D HA 0.346 4.986 4.640 0.000 0.000 0.249 135 D C 1.090 177.112 176.300 -0.464 0.000 1.144 135 D CA 0.775 54.622 54.000 -0.255 0.000 0.880 135 D CB 0.261 40.887 40.800 -0.290 0.000 1.182 135 D HN 0.702 nan 8.370 nan 0.000 0.451 136 N N 0.994 119.601 118.700 -0.154 0.000 2.286 136 N HA -0.036 4.704 4.740 0.000 0.000 0.245 136 N C -0.485 175.164 175.510 0.231 0.000 1.363 136 N CA -0.345 52.700 53.050 -0.009 0.000 0.822 136 N CB 0.535 39.018 38.487 -0.007 0.000 1.345 136 N HN 0.102 nan 8.380 nan 0.000 0.494 137 D N 1.750 122.283 120.400 0.222 0.000 2.697 137 D HA -0.159 4.481 4.640 0.000 0.000 0.238 137 D C 1.037 177.551 176.300 0.358 0.000 1.152 137 D CA 1.699 55.852 54.000 0.256 0.000 0.666 137 D CB -1.533 39.469 40.800 0.337 0.000 1.037 137 D HN 0.750 nan 8.370 nan 0.000 0.423 138 G N -0.337 108.647 108.800 0.307 0.000 2.305 138 G HA2 0.085 4.045 3.960 0.000 0.000 0.287 138 G HA3 0.085 4.045 3.960 0.000 0.000 0.287 138 G C 1.435 176.488 174.900 0.256 0.000 1.036 138 G CA 0.914 46.211 45.100 0.328 0.000 0.887 138 G HN 1.814 nan 8.290 nan 0.000 0.505 139 G N -2.206 106.690 108.800 0.160 0.000 2.175 139 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 139 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 139 G C 0.851 175.692 174.900 -0.099 0.000 0.982 139 G CA 0.721 45.822 45.100 0.001 0.000 0.641 139 G HN 0.988 nan 8.290 nan 0.000 0.527 140 F N 1.681 121.723 119.950 0.153 0.000 2.802 140 F HA 0.513 5.040 4.527 0.000 0.000 0.300 140 F C 1.909 177.829 175.800 0.201 0.000 1.168 140 F CA 0.911 59.006 58.000 0.157 0.000 1.433 140 F CB 0.473 39.570 39.000 0.162 0.000 1.115 140 F HN 0.388 nan 8.300 nan 0.000 0.582 141 A N 0.985 123.996 122.820 0.319 0.000 2.582 141 A HA 0.556 4.876 4.320 0.000 0.000 0.336 141 A C -0.365 177.288 177.584 0.114 0.000 1.445 141 A CA -0.426 51.793 52.037 0.304 0.000 0.997 141 A CB -0.453 18.786 19.000 0.398 0.000 1.148 141 A HN -0.043 nan 8.150 nan 0.000 0.514 142 V N 2.714 122.658 119.914 0.049 0.000 2.488 142 V HA 0.135 4.255 4.120 0.000 0.000 0.277 142 V C 1.061 177.046 176.094 -0.181 0.000 1.046 142 V CA 0.384 62.590 62.300 -0.157 0.000 0.986 142 V CB 1.122 32.714 31.823 -0.385 0.000 0.989 142 V HN 0.881 nan 8.190 nan 0.000 0.475 143 S N 1.935 117.504 115.700 -0.218 0.000 2.503 143 S HA 0.107 4.577 4.470 0.000 0.000 0.215 143 S C 0.375 174.662 174.600 -0.522 0.000 1.003 143 S CA 0.156 58.201 58.200 -0.258 0.000 0.910 143 S CB 0.071 63.137 63.200 -0.224 0.000 0.790 143 S HN 0.901 nan 8.310 nan 0.000 0.514 144 D N -0.670 119.445 120.400 -0.476 0.000 2.591 144 D HA 0.213 4.853 4.640 0.000 0.000 0.222 144 D C -0.794 175.323 176.300 -0.305 0.000 1.360 144 D CA -0.420 53.295 54.000 -0.476 0.000 0.967 144 D CB 0.515 41.113 40.800 -0.338 0.000 1.456 144 D HN -0.046 nan 8.370 nan 0.000 0.588 145 Y N 1.294 121.594 120.300 0.000 0.000 2.561 145 Y HA 0.190 4.740 4.550 0.000 0.000 0.291 145 Y C 2.262 178.207 175.900 0.076 0.000 1.141 145 Y CA 0.917 59.078 58.100 0.102 0.000 1.303 145 Y CB 0.638 39.248 38.460 0.250 0.000 1.015 145 Y HN 0.498 nan 8.280 nan 0.000 0.547 146 G N -0.910 107.968 108.800 0.131 0.000 3.393 146 G HA2 0.196 4.156 3.960 0.000 0.000 0.255 146 G HA3 0.196 4.156 3.960 0.000 0.000 0.255 146 G C -0.093 174.839 174.900 0.054 0.000 1.097 146 G CA -0.016 45.146 45.100 0.103 0.000 0.780 146 G HN 0.247 nan 8.290 nan 0.000 0.540 147 Q N 0.193 120.007 119.800 0.023 0.000 2.309 147 Q HA 0.497 4.837 4.340 0.000 0.000 0.273 147 Q C -0.853 175.168 176.000 0.035 0.000 1.040 147 Q CA -0.552 55.262 55.803 0.019 0.000 0.834 147 Q CB 2.427 31.148 28.738 -0.029 0.000 1.345 147 Q HN -0.074 nan 8.270 nan 0.000 0.414 148 V N 2.815 122.781 119.914 0.087 0.000 2.843 148 V HA 0.051 4.172 4.120 0.000 0.000 0.305 148 V C 0.286 176.422 176.094 0.070 0.000 1.065 148 V CA -0.007 62.377 62.300 0.139 0.000 1.116 148 V CB 1.130 33.049 31.823 0.159 0.000 0.968 148 V HN 0.863 nan 8.190 nan 0.000 0.487 149 E N 6.264 126.513 120.200 0.083 0.000 2.415 149 E HA 0.066 4.417 4.350 0.000 0.000 0.260 149 E C -1.848 174.773 176.600 0.035 0.000 1.016 149 E CA -1.156 55.267 56.400 0.038 0.000 0.924 149 E CB 1.073 30.805 29.700 0.053 0.000 0.961 149 E HN 0.347 nan 8.360 nan 0.000 0.459 150 P HA -0.236 nan 4.420 nan 0.000 0.217 150 P C 0.910 178.216 177.300 0.010 0.000 1.151 150 P CA 1.919 65.021 63.100 0.004 0.000 0.849 150 P CB 0.064 31.756 31.700 -0.013 0.000 0.787 151 S N -1.740 113.967 115.700 0.012 0.000 2.507 151 S HA -0.051 4.419 4.470 0.000 0.000 0.235 151 S C 1.642 176.259 174.600 0.028 0.000 0.988 151 S CA 0.883 59.092 58.200 0.014 0.000 0.944 151 S CB -1.211 61.995 63.200 0.011 0.000 0.762 151 S HN 0.126 nan 8.310 nan 0.000 0.526 152 L N 0.235 121.484 121.223 0.043 0.000 2.556 152 L HA 0.456 4.796 4.340 0.000 0.000 0.226 152 L C 1.394 178.286 176.870 0.036 0.000 1.089 152 L CA 0.300 55.173 54.840 0.055 0.000 0.864 152 L CB 0.083 42.200 42.059 0.096 0.000 1.067 152 L HN 0.623 nan 8.230 nan 0.000 0.477 153 G N -0.250 108.568 108.800 0.030 0.000 2.278 153 G HA2 0.008 3.969 3.960 0.000 0.000 0.265 153 G HA3 0.008 3.969 3.960 0.000 0.000 0.265 153 G C -1.037 173.876 174.900 0.022 0.000 1.329 153 G CA -0.113 44.998 45.100 0.017 0.000 1.017 153 G HN 0.122 nan 8.290 nan 0.000 0.472 154 S N -1.002 114.708 115.700 0.016 0.000 2.759 154 S HA 0.629 5.099 4.470 0.000 0.000 0.310 154 S C 0.832 175.448 174.600 0.028 0.000 1.123 154 S CA 0.002 58.213 58.200 0.019 0.000 0.959 154 S CB 1.876 65.080 63.200 0.007 0.000 1.172 154 S HN 0.552 nan 8.310 nan 0.000 0.539 155 N N 1.304 120.023 118.700 0.032 0.000 2.244 155 N HA -0.045 4.695 4.740 0.000 0.000 0.183 155 N C 0.973 176.497 175.510 0.023 0.000 1.016 155 N CA 1.282 54.357 53.050 0.042 0.000 0.866 155 N CB -0.517 37.995 38.487 0.042 0.000 0.980 155 N HN 0.604 nan 8.380 nan 0.000 0.430 156 D N 0.749 121.156 120.400 0.011 0.000 2.144 156 D HA -0.121 4.519 4.640 0.000 0.000 0.199 156 D C 0.907 177.204 176.300 -0.005 0.000 0.984 156 D CA 0.919 54.920 54.000 0.002 0.000 0.834 156 D CB -0.127 40.672 40.800 -0.002 0.000 0.955 156 D HN 0.301 nan 8.370 nan 0.000 0.465 157 D N 0.608 121.004 120.400 -0.006 0.000 2.178 157 D HA -0.082 4.558 4.640 0.000 0.000 0.202 157 D C 2.252 178.533 176.300 -0.032 0.000 0.974 157 D CA 0.071 54.060 54.000 -0.017 0.000 0.841 157 D CB -0.154 40.636 40.800 -0.016 0.000 0.953 157 D HN 0.222 nan 8.370 nan 0.000 0.478 158 L N 0.721 121.927 121.223 -0.028 0.000 2.056 158 L HA -0.145 4.195 4.340 0.000 0.000 0.207 158 L C 2.297 179.144 176.870 -0.038 0.000 1.078 158 L CA 0.886 55.694 54.840 -0.054 0.000 0.749 158 L CB -0.079 41.980 42.059 -0.001 0.000 0.901 158 L HN -0.098 nan 8.230 nan 0.000 0.433 159 V N 0.201 120.107 119.914 -0.013 0.000 2.343 159 V HA -0.283 3.837 4.120 0.000 0.000 0.247 159 V C 2.795 178.877 176.094 -0.020 0.000 1.051 159 V CA 1.702 63.996 62.300 -0.011 0.000 1.036 159 V CB -0.943 30.879 31.823 -0.002 0.000 0.654 159 V HN 0.571 nan 8.190 nan 0.000 0.451 160 A N -0.676 122.132 122.820 -0.021 0.000 1.933 160 A HA -0.155 4.165 4.320 0.000 0.000 0.218 160 A C 2.279 179.847 177.584 -0.027 0.000 1.175 160 A CA 1.786 53.810 52.037 -0.021 0.000 0.628 160 A CB -0.474 18.515 19.000 -0.020 0.000 0.814 160 A HN 0.475 nan 8.150 nan 0.000 0.444 161 L N 0.103 121.303 121.223 -0.038 0.000 2.027 161 L HA -0.157 4.183 4.340 0.000 0.000 0.206 161 L C 2.967 179.809 176.870 -0.045 0.000 1.074 161 L CA 2.302 57.114 54.840 -0.045 0.000 0.745 161 L CB -0.659 41.353 42.059 -0.080 0.000 0.898 161 L HN 0.660 nan 8.230 nan 0.000 0.433 162 T N -4.244 110.279 114.554 -0.053 0.000 2.867 162 T HA -0.124 4.226 4.350 0.000 0.000 0.268 162 T C 1.933 176.612 174.700 -0.034 0.000 1.057 162 T CA 1.366 63.437 62.100 -0.048 0.000 1.136 162 T CB -0.370 68.470 68.868 -0.047 0.000 0.874 162 T HN 0.256 nan 8.240 nan 0.000 0.466 163 S N 1.491 117.174 115.700 -0.028 0.000 2.368 163 S HA -0.034 4.436 4.470 0.000 0.000 0.225 163 S C 2.159 176.748 174.600 -0.019 0.000 1.030 163 S CA 1.300 59.486 58.200 -0.023 0.000 0.999 163 S CB -0.368 62.821 63.200 -0.019 0.000 0.844 163 S HN 0.510 nan 8.310 nan 0.000 0.459 164 R N 1.531 122.022 120.500 -0.016 0.000 2.075 164 R HA 0.092 4.433 4.340 0.000 0.000 0.232 164 R C 2.015 178.313 176.300 -0.003 0.000 1.126 164 R CA 1.276 57.371 56.100 -0.009 0.000 0.963 164 R CB -0.823 29.473 30.300 -0.006 0.000 0.858 164 R HN 0.382 nan 8.270 nan 0.000 0.435 165 L N -0.115 121.104 121.223 -0.007 0.000 2.017 165 L HA -0.098 4.242 4.340 0.000 0.000 0.208 165 L C 2.775 179.644 176.870 -0.001 0.000 1.073 165 L CA 1.729 56.569 54.840 0.000 0.000 0.745 165 L CB -0.472 41.580 42.059 -0.013 0.000 0.894 165 L HN 0.237 nan 8.230 nan 0.000 0.432 166 R N 0.271 120.761 120.500 -0.016 0.000 2.105 166 R HA -0.197 4.143 4.340 0.000 0.000 0.239 166 R C 2.146 178.436 176.300 -0.016 0.000 1.135 166 R CA 1.615 57.701 56.100 -0.023 0.000 0.967 166 R CB -0.051 30.227 30.300 -0.037 0.000 0.861 166 R HN 0.472 nan 8.270 nan 0.000 0.442 167 E N -0.383 119.810 120.200 -0.012 0.000 2.077 167 E HA -0.158 4.192 4.350 0.000 0.000 0.193 167 E C 1.685 178.285 176.600 -0.001 0.000 0.989 167 E CA 1.155 57.550 56.400 -0.009 0.000 0.800 167 E CB -0.099 29.597 29.700 -0.007 0.000 0.746 167 E HN 0.385 nan 8.360 nan 0.000 0.452 168 A N 0.548 123.373 122.820 0.009 0.000 2.235 168 A HA 0.202 4.522 4.320 0.000 0.000 0.208 168 A C 1.632 179.234 177.584 0.029 0.000 1.172 168 A CA 0.801 52.850 52.037 0.019 0.000 0.786 168 A CB -0.501 18.516 19.000 0.029 0.000 0.804 168 A HN 0.346 nan 8.150 nan 0.000 0.479 169 G N -0.867 107.948 108.800 0.024 0.000 2.160 169 G HA2 -0.217 3.743 3.960 0.000 0.000 0.244 169 G HA3 -0.217 3.743 3.960 0.000 0.000 0.244 169 G C -0.070 174.882 174.900 0.088 0.000 1.022 169 G CA 0.353 45.478 45.100 0.042 0.000 0.741 169 G HN 0.522 nan 8.290 nan 0.000 0.508 170 I N 0.916 121.527 120.570 0.068 0.000 2.404 170 I HA 0.443 4.613 4.170 0.000 0.000 0.293 170 I C 0.269 176.418 176.117 0.055 0.000 0.992 170 I CA -0.706 60.648 61.300 0.089 0.000 1.149 170 I CB 2.019 40.058 38.000 0.065 0.000 1.315 170 I HN 0.055 nan 8.210 nan 0.000 0.446 171 S N 6.296 122.048 115.700 0.087 0.000 2.442 171 S HA 0.440 4.911 4.470 0.000 0.000 0.297 171 S C -0.460 174.049 174.600 -0.151 0.000 1.131 171 S CA -0.516 57.692 58.200 0.014 0.000 1.092 171 S CB 1.315 64.638 63.200 0.206 0.000 0.998 171 S HN 0.378 nan 8.310 nan 0.000 0.478 172 L N 4.025 125.155 121.223 -0.156 0.000 2.290 172 L HA 0.509 4.849 4.340 0.000 0.000 0.284 172 L C -0.343 176.368 176.870 -0.265 0.000 1.078 172 L CA -0.225 54.504 54.840 -0.185 0.000 0.815 172 L CB 0.560 42.548 42.059 -0.118 0.000 1.162 172 L HN 0.815 nan 8.230 nan 0.000 0.435 173 C N 5.718 124.850 119.300 -0.279 0.000 2.329 173 C HA 0.928 5.388 4.460 0.000 0.000 0.329 173 C C 0.167 175.194 174.990 0.061 0.000 1.275 173 C CA -0.124 58.754 59.018 -0.234 0.000 1.726 173 C CB -0.275 27.279 27.740 -0.310 0.000 2.291 173 C HN 1.062 nan 8.230 nan 0.000 0.514 174 A N 5.048 127.879 122.820 0.019 0.000 2.380 174 A HA 0.666 4.986 4.320 0.000 0.000 0.315 174 A C -0.726 176.963 177.584 0.175 0.000 1.101 174 A CA -0.450 51.709 52.037 0.203 0.000 0.771 174 A CB 0.829 19.954 19.000 0.208 0.000 1.287 174 A HN 0.889 nan 8.150 nan 0.000 0.436 175 D N 0.680 121.188 120.400 0.181 0.000 2.350 175 D HA 0.313 4.953 4.640 0.000 0.000 0.249 175 D C -1.477 175.031 176.300 0.346 0.000 1.119 175 D CA 0.807 54.946 54.000 0.232 0.000 0.886 175 D CB 1.148 42.038 40.800 0.151 0.000 1.195 175 D HN 0.292 nan 8.370 nan 0.000 0.437 176 F N 3.060 123.139 119.950 0.215 0.000 2.532 176 F HA 0.171 4.699 4.527 0.000 0.000 0.365 176 F C -0.551 175.347 175.800 0.163 0.000 1.112 176 F CA -1.130 56.995 58.000 0.209 0.000 1.082 176 F CB 0.740 39.865 39.000 0.207 0.000 1.319 176 F HN -0.037 nan 8.300 nan 0.000 0.457 177 V N 8.125 128.101 119.914 0.103 0.000 2.157 177 V HA -0.042 4.078 4.120 0.000 0.000 0.241 177 V C 0.985 176.930 176.094 -0.249 0.000 1.349 177 V CA -0.103 62.184 62.300 -0.021 0.000 1.319 177 V CB -0.603 31.291 31.823 0.119 0.000 1.421 177 V HN 0.621 nan 8.190 nan 0.000 0.501 178 L N 1.511 122.475 121.223 -0.431 0.000 2.554 178 L HA 0.214 4.554 4.340 0.000 0.000 0.226 178 L C 1.581 178.525 176.870 0.124 0.000 1.137 178 L CA 0.966 55.603 54.840 -0.338 0.000 0.863 178 L CB -1.670 40.154 42.059 -0.391 0.000 0.985 178 L HN 0.439 nan 8.230 nan 0.000 0.451 179 N N -0.078 118.601 118.700 -0.036 0.000 2.376 179 N HA -0.074 4.666 4.740 0.000 0.000 0.177 179 N C 0.202 175.888 175.510 0.292 0.000 1.024 179 N CA 0.708 53.867 53.050 0.181 0.000 0.893 179 N CB 0.191 38.801 38.487 0.204 0.000 0.980 179 N HN 0.721 nan 8.380 nan 0.000 0.439 180 H N -3.627 115.639 119.070 0.327 0.000 3.042 180 H HA 0.386 4.942 4.556 0.000 0.000 0.346 180 H C -1.105 174.451 175.328 0.380 0.000 1.294 180 H CA -0.791 55.484 56.048 0.378 0.000 1.141 180 H CB 0.714 30.692 29.762 0.361 0.000 1.872 180 H HN 0.037 nan 8.280 nan 0.000 0.541 181 T N -1.402 113.476 114.554 0.540 0.000 2.926 181 T HA 0.750 5.101 4.350 0.000 0.000 0.289 181 T C 0.282 175.137 174.700 0.258 0.000 1.054 181 T CA -0.389 61.929 62.100 0.364 0.000 1.015 181 T CB 1.813 70.848 68.868 0.278 0.000 1.167 181 T HN 0.936 nan 8.240 nan 0.000 0.526 182 A N 1.265 124.165 122.820 0.133 0.000 2.406 182 A HA 0.391 4.711 4.320 0.000 0.000 0.243 182 A C 1.046 178.500 177.584 -0.217 0.000 1.082 182 A CA -0.026 52.037 52.037 0.042 0.000 0.786 182 A CB -0.280 18.724 19.000 0.006 0.000 1.029 182 A HN 0.983 nan 8.150 nan 0.000 0.495 183 D N -0.109 120.029 120.400 -0.436 0.000 2.338 183 D HA -0.040 4.600 4.640 0.000 0.000 0.239 183 D C 0.153 176.065 176.300 -0.647 0.000 1.095 183 D CA 0.765 54.135 54.000 -1.050 0.000 0.888 183 D CB 0.136 40.263 40.800 -1.121 0.000 0.899 183 D HN 0.524 nan 8.370 nan 0.000 0.525 184 D N -1.335 118.863 120.400 -0.336 0.000 2.535 184 D HA -0.054 4.586 4.640 0.000 0.000 0.229 184 D C 0.281 176.475 176.300 -0.176 0.000 1.238 184 D CA -0.548 53.313 54.000 -0.231 0.000 0.824 184 D CB -0.910 39.780 40.800 -0.183 0.000 1.045 184 D HN 0.240 nan 8.370 nan 0.000 0.500 185 H N 1.055 119.977 119.070 -0.246 0.000 2.771 185 H HA 0.325 4.881 4.556 0.000 0.000 0.364 185 H C 1.250 176.453 175.328 -0.208 0.000 1.133 185 H CA 0.846 56.757 56.048 -0.229 0.000 1.423 185 H CB 1.845 31.515 29.762 -0.153 0.000 1.425 185 H HN 0.045 nan 8.280 nan 0.000 0.606 186 A N 4.997 127.572 122.820 -0.409 0.000 1.948 186 A HA -0.229 4.091 4.320 0.000 0.000 0.220 186 A C 2.113 179.692 177.584 -0.008 0.000 1.177 186 A CA 1.444 53.333 52.037 -0.247 0.000 0.636 186 A CB -0.753 18.002 19.000 -0.408 0.000 0.815 186 A HN 0.813 nan 8.150 nan 0.000 0.449 187 W N -0.626 120.823 121.300 0.248 0.000 2.388 187 W HA -0.002 4.658 4.660 0.000 0.000 0.294 187 W C 2.801 179.466 176.519 0.243 0.000 1.212 187 W CA 0.693 58.065 57.345 0.044 0.000 1.271 187 W CB -1.293 28.233 29.460 0.110 0.000 1.126 187 W HN 0.463 nan 8.180 nan 0.000 0.535 188 A N 0.101 123.202 122.820 0.468 0.000 1.898 188 A HA -0.197 4.123 4.320 0.000 0.000 0.216 188 A C 2.031 179.660 177.584 0.076 0.000 1.181 188 A CA 1.363 53.480 52.037 0.133 0.000 0.620 188 A CB -0.689 18.043 19.000 -0.447 0.000 0.819 188 A HN 0.137 nan 8.150 nan 0.000 0.442 189 Q N -0.368 119.439 119.800 0.011 0.000 2.084 189 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 189 Q C 2.381 178.400 176.000 0.032 0.000 0.978 189 Q CA 1.627 57.422 55.803 -0.012 0.000 0.844 189 Q CB -0.823 27.877 28.738 -0.063 0.000 0.898 189 Q HN 0.652 nan 8.270 nan 0.000 0.426 190 A N 0.866 123.709 122.820 0.038 0.000 1.972 190 A HA -0.045 4.275 4.320 0.000 0.000 0.219 190 A C 2.281 179.948 177.584 0.138 0.000 1.169 190 A CA 1.745 53.812 52.037 0.051 0.000 0.635 190 A CB -0.504 18.454 19.000 -0.069 0.000 0.810 190 A HN 0.350 nan 8.150 nan 0.000 0.446 191 A N -0.128 122.814 122.820 0.203 0.000 1.897 191 A HA -0.092 4.228 4.320 0.000 0.000 0.215 191 A C 2.188 179.844 177.584 0.121 0.000 1.181 191 A CA 1.255 53.409 52.037 0.194 0.000 0.620 191 A CB -0.416 18.774 19.000 0.316 0.000 0.821 191 A HN 0.523 nan 8.150 nan 0.000 0.443 192 R N -0.406 120.177 120.500 0.137 0.000 2.152 192 R HA -0.054 4.286 4.340 0.000 0.000 0.232 192 R C 1.931 178.259 176.300 0.046 0.000 1.117 192 R CA 1.042 57.196 56.100 0.090 0.000 0.981 192 R CB -0.334 30.014 30.300 0.080 0.000 0.870 192 R HN 0.479 nan 8.270 nan 0.000 0.451 193 A N -0.126 122.722 122.820 0.048 0.000 2.251 193 A HA 0.257 4.577 4.320 0.000 0.000 0.209 193 A C 1.308 178.913 177.584 0.036 0.000 1.187 193 A CA 0.670 52.727 52.037 0.034 0.000 0.823 193 A CB 0.104 19.122 19.000 0.031 0.000 0.846 193 A HN 0.424 nan 8.150 nan 0.000 0.486 194 G N -0.523 108.299 108.800 0.038 0.000 2.141 194 G HA2 -0.208 3.752 3.960 0.000 0.000 0.231 194 G HA3 -0.208 3.752 3.960 0.000 0.000 0.231 194 G C -0.135 174.787 174.900 0.037 0.000 0.984 194 G CA 0.156 45.273 45.100 0.028 0.000 0.660 194 G HN 0.516 nan 8.290 nan 0.000 0.525 195 D N 0.976 121.417 120.400 0.069 0.000 2.344 195 D HA 0.562 5.202 4.640 0.000 0.000 0.253 195 D C 1.651 177.977 176.300 0.044 0.000 1.255 195 D CA 0.548 54.601 54.000 0.089 0.000 0.894 195 D CB 0.800 41.722 40.800 0.202 0.000 1.067 195 D HN 0.391 nan 8.370 nan 0.000 0.492 196 A N 5.301 128.121 122.820 -0.001 0.000 1.940 196 A HA -0.221 4.099 4.320 0.000 0.000 0.219 196 A C 2.158 179.695 177.584 -0.077 0.000 1.176 196 A CA 1.413 53.428 52.037 -0.037 0.000 0.631 196 A CB -0.297 18.693 19.000 -0.016 0.000 0.814 196 A HN 0.691 nan 8.150 nan 0.000 0.446 197 R N -1.749 118.674 120.500 -0.129 0.000 2.083 197 R HA -0.206 4.134 4.340 0.000 0.000 0.237 197 R C 1.721 177.766 176.300 -0.425 0.000 1.137 197 R CA 2.240 58.161 56.100 -0.298 0.000 0.951 197 R CB -0.399 29.623 30.300 -0.462 0.000 0.851 197 R HN 0.580 nan 8.270 nan 0.000 0.434 198 Y N 0.084 120.287 120.300 -0.161 0.000 2.490 198 Y HA 0.026 4.577 4.550 0.000 0.000 0.285 198 Y C 1.976 177.865 175.900 -0.017 0.000 1.117 198 Y CA 0.296 58.218 58.100 -0.297 0.000 1.262 198 Y CB -0.056 38.265 38.460 -0.232 0.000 1.043 198 Y HN 0.085 nan 8.280 nan 0.000 0.553 199 L N 0.012 121.280 121.223 0.075 0.000 2.083 199 L HA -0.219 4.121 4.340 0.000 0.000 0.209 199 L C 1.056 177.864 176.870 -0.104 0.000 1.083 199 L CA 1.531 56.344 54.840 -0.044 0.000 0.752 199 L CB -0.169 41.706 42.059 -0.307 0.000 0.899 199 L HN 0.173 nan 8.230 nan 0.000 0.433 200 D N -1.172 119.196 120.400 -0.053 0.000 2.378 200 D HA -0.138 4.502 4.640 0.000 0.000 0.227 200 D C 1.332 177.607 176.300 -0.041 0.000 1.012 200 D CA 0.627 54.635 54.000 0.015 0.000 0.905 200 D CB 0.097 40.891 40.800 -0.010 0.000 0.895 200 D HN 0.348 nan 8.370 nan 0.000 0.532 201 Y N -0.721 119.383 120.300 -0.327 0.000 2.546 201 Y HA 0.052 4.602 4.550 0.000 0.000 0.287 201 Y C 0.147 175.578 175.900 -0.781 0.000 1.158 201 Y CA 0.119 57.833 58.100 -0.645 0.000 1.307 201 Y CB -0.067 37.906 38.460 -0.812 0.000 1.036 201 Y HN -0.093 nan 8.280 nan 0.000 0.532 202 Y N -2.271 118.040 120.300 0.018 0.000 2.662 202 Y HA 0.427 4.977 4.550 0.000 0.000 0.335 202 Y C -0.448 175.400 175.900 -0.086 0.000 1.066 202 Y CA -1.769 56.343 58.100 0.020 0.000 1.116 202 Y CB 0.640 39.214 38.460 0.189 0.000 1.308 202 Y HN -0.200 nan 8.280 nan 0.000 0.502 203 H N 1.267 120.491 119.070 0.257 0.000 2.690 203 H HA 0.277 4.833 4.556 0.000 0.000 0.289 203 H C -0.697 174.600 175.328 -0.052 0.000 1.089 203 H CA -0.479 55.617 56.048 0.081 0.000 1.299 203 H CB -0.028 29.908 29.762 0.290 0.000 1.405 203 H HN 0.445 nan 8.280 nan 0.000 0.463 204 H N 1.964 120.756 119.070 -0.462 0.000 2.637 204 H HA 0.444 5.000 4.556 0.000 0.000 0.363 204 H C -1.493 173.334 175.328 -0.834 0.000 1.131 204 H CA -1.317 54.452 56.048 -0.466 0.000 1.183 204 H CB 1.068 30.676 29.762 -0.256 0.000 1.637 204 H HN 0.336 nan 8.280 nan 0.000 0.531 205 F N 0.175 120.211 119.950 0.144 0.000 2.569 205 F HA 0.523 5.051 4.527 0.000 0.000 0.312 205 F C 1.039 176.971 175.800 0.219 0.000 1.109 205 F CA -0.523 57.536 58.000 0.099 0.000 0.919 205 F CB 2.067 41.097 39.000 0.050 0.000 1.211 205 F HN 0.740 nan 8.300 nan 0.000 0.446 206 A N 0.568 123.595 122.820 0.346 0.000 1.898 206 A HA 0.042 4.362 4.320 0.000 0.000 0.216 206 A C 0.519 178.364 177.584 0.436 0.000 1.181 206 A CA 1.413 53.650 52.037 0.334 0.000 0.620 206 A CB -0.265 18.869 19.000 0.224 0.000 0.819 206 A HN 0.681 nan 8.150 nan 0.000 0.442 207 D N -2.646 117.957 120.400 0.338 0.000 2.553 207 D HA 0.380 5.020 4.640 0.000 0.000 0.249 207 D C 0.334 176.661 176.300 0.045 0.000 1.062 207 D CA -0.632 53.516 54.000 0.247 0.000 1.085 207 D CB 0.697 41.557 40.800 0.099 0.000 1.350 207 D HN 0.028 nan 8.370 nan 0.000 0.575 208 R N -0.242 120.149 120.500 -0.181 0.000 2.313 208 R HA 0.073 4.413 4.340 0.000 0.000 0.199 208 R C 1.341 177.397 176.300 -0.407 0.000 0.958 208 R CA 0.204 55.990 56.100 -0.523 0.000 1.047 208 R CB -0.081 29.866 30.300 -0.587 0.000 0.955 208 R HN 0.379 nan 8.270 nan 0.000 0.481 209 T N 1.015 115.420 114.554 -0.247 0.000 2.570 209 T HA -0.165 4.186 4.350 0.000 0.000 0.266 209 T C 2.000 176.518 174.700 -0.303 0.000 1.071 209 T CA 1.801 63.772 62.100 -0.215 0.000 1.172 209 T CB -0.176 68.621 68.868 -0.118 0.000 0.864 209 T HN 0.014 nan 8.240 nan 0.000 0.421 210 V N 2.222 121.911 119.914 -0.375 0.000 2.307 210 V HA -0.069 4.052 4.120 0.000 0.000 0.245 210 V C -0.530 175.177 176.094 -0.644 0.000 1.045 210 V CA 1.497 63.491 62.300 -0.509 0.000 1.024 210 V CB -1.640 29.788 31.823 -0.657 0.000 0.651 210 V HN 0.355 nan 8.190 nan 0.000 0.449 211 P HA -0.165 nan 4.420 nan 0.000 0.216 211 P C 1.241 178.151 177.300 -0.651 0.000 1.154 211 P CA 1.647 63.997 63.100 -1.251 0.000 0.865 211 P CB -0.046 30.603 31.700 -1.751 0.000 0.789 212 D N -1.107 118.988 120.400 -0.509 0.000 2.117 212 D HA -0.121 4.519 4.640 0.000 0.000 0.197 212 D C 2.051 178.218 176.300 -0.221 0.000 0.987 212 D CA 1.028 54.837 54.000 -0.319 0.000 0.829 212 D CB -0.323 40.306 40.800 -0.284 0.000 0.961 212 D HN 0.183 nan 8.370 nan 0.000 0.460 213 R N -0.264 120.083 120.500 -0.254 0.000 2.083 213 R HA -0.171 4.169 4.340 0.000 0.000 0.237 213 R C 2.427 178.614 176.300 -0.189 0.000 1.137 213 R CA 1.088 57.045 56.100 -0.238 0.000 0.951 213 R CB -0.423 29.684 30.300 -0.321 0.000 0.851 213 R HN 0.274 nan 8.270 nan 0.000 0.434 214 Y N 1.325 121.538 120.300 -0.145 0.000 2.145 214 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 214 Y C 2.511 178.384 175.900 -0.044 0.000 1.145 214 Y CA 1.253 59.329 58.100 -0.041 0.000 1.148 214 Y CB -0.208 38.242 38.460 -0.018 0.000 0.981 214 Y HN 0.014 nan 8.280 nan 0.000 0.507 215 E N -0.159 120.089 120.200 0.080 0.000 2.130 215 E HA -0.253 4.097 4.350 0.000 0.000 0.196 215 E C 2.416 179.010 176.600 -0.010 0.000 0.998 215 E CA 1.087 57.495 56.400 0.014 0.000 0.806 215 E CB -0.569 29.102 29.700 -0.048 0.000 0.738 215 E HN 0.464 nan 8.360 nan 0.000 0.459 216 A N 0.993 123.793 122.820 -0.034 0.000 1.948 216 A HA -0.192 4.129 4.320 0.000 0.000 0.220 216 A C 2.326 179.903 177.584 -0.013 0.000 1.177 216 A CA 2.549 54.563 52.037 -0.039 0.000 0.636 216 A CB -0.606 18.357 19.000 -0.062 0.000 0.815 216 A HN 0.397 nan 8.150 nan 0.000 0.449 217 T N -3.567 110.997 114.554 0.017 0.000 3.010 217 T HA 0.495 4.845 4.350 0.000 0.000 0.257 217 T C 0.516 175.252 174.700 0.060 0.000 1.020 217 T CA -0.362 61.759 62.100 0.035 0.000 0.938 217 T CB -0.265 68.631 68.868 0.045 0.000 1.049 217 T HN 0.188 nan 8.240 nan 0.000 0.522 218 L N 1.650 122.917 121.223 0.073 0.000 2.453 218 L HA 0.618 4.958 4.340 0.000 0.000 0.261 218 L C 0.928 177.815 176.870 0.028 0.000 1.179 218 L CA -0.669 54.215 54.840 0.074 0.000 0.813 218 L CB 0.448 42.543 42.059 0.061 0.000 1.110 218 L HN 0.322 nan 8.230 nan 0.000 0.466 219 G N 0.377 109.194 108.800 0.028 0.000 2.416 219 G HA2 0.438 4.398 3.960 0.000 0.000 0.329 219 G HA3 0.438 4.398 3.960 0.000 0.000 0.329 219 G C -1.001 173.886 174.900 -0.022 0.000 1.173 219 G CA -0.425 44.679 45.100 0.006 0.000 0.929 219 G HN 0.472 nan 8.290 nan 0.000 0.475 220 Q N 0.266 120.043 119.800 -0.038 0.000 2.330 220 Q HA 0.352 4.692 4.340 0.000 0.000 0.279 220 Q C 0.063 176.011 176.000 -0.085 0.000 1.024 220 Q CA 0.281 56.043 55.803 -0.068 0.000 0.900 220 Q CB 1.045 29.751 28.738 -0.054 0.000 1.221 220 Q HN 0.296 nan 8.270 nan 0.000 0.396 229 N N -0.754 117.796 118.700 -0.251 0.000 2.203 229 N HA 0.268 5.008 4.740 0.000 0.000 0.207 229 N C -0.910 174.016 175.510 -0.974 0.000 1.130 229 N CA 0.374 53.048 53.050 -0.626 0.000 0.861 229 N CB 0.685 38.630 38.487 -0.904 0.000 1.005 229 N HN 0.285 nan 8.380 nan 0.000 0.507 230 F N -0.100 119.766 119.950 -0.140 0.000 2.565 230 F HA 0.374 4.901 4.527 0.000 0.000 0.313 230 F C 0.167 176.163 175.800 0.327 0.000 1.091 230 F CA -0.658 57.380 58.000 0.065 0.000 0.915 230 F CB 2.065 41.099 39.000 0.058 0.000 1.208 230 F HN -0.381 nan 8.300 nan 0.000 0.453 231 T N 2.299 117.146 114.554 0.488 0.000 2.812 231 T HA 0.111 4.461 4.350 0.000 0.000 0.282 231 T C -1.213 173.575 174.700 0.148 0.000 0.990 231 T CA -0.520 61.788 62.100 0.347 0.000 0.960 231 T CB 1.046 70.048 68.868 0.222 0.000 0.948 231 T HN 0.579 nan 8.240 nan 0.000 0.438 232 W N 5.169 126.264 121.300 -0.342 0.000 2.266 232 W HA 0.484 5.144 4.660 0.000 0.000 0.317 232 W C -1.631 174.690 176.519 -0.330 0.000 1.310 232 W CA -0.425 56.450 57.345 -0.784 0.000 1.207 232 W CB 0.478 29.194 29.460 -1.240 0.000 1.199 232 W HN 0.295 nan 8.180 nan 0.000 0.544 233 V N 7.843 127.036 119.914 -1.201 0.000 2.407 233 V HA 0.035 4.155 4.120 0.000 0.000 0.291 233 V C 0.841 176.351 176.094 -0.974 0.000 1.018 233 V CA -0.530 61.325 62.300 -0.742 0.000 0.842 233 V CB 1.535 33.110 31.823 -0.413 0.000 0.996 233 V HN 0.582 nan 8.190 nan 0.000 0.426 234 D N 2.052 122.178 120.400 -0.456 0.000 2.097 234 D HA -0.149 4.491 4.640 0.000 0.000 0.195 234 D C 1.431 177.641 176.300 -0.150 0.000 0.989 234 D CA 1.568 55.466 54.000 -0.169 0.000 0.827 234 D CB 0.249 41.091 40.800 0.071 0.000 0.966 234 D HN 0.614 nan 8.370 nan 0.000 0.456 235 D N 0.045 120.386 120.400 -0.099 0.000 2.158 235 D HA -0.134 4.506 4.640 0.000 0.000 0.197 235 D C 2.146 178.398 176.300 -0.080 0.000 0.995 235 D CA 1.818 55.790 54.000 -0.047 0.000 0.846 235 D CB -0.301 40.504 40.800 0.008 0.000 0.941 235 D HN 0.365 nan 8.370 nan 0.000 0.456 236 T N -2.929 111.520 114.554 -0.175 0.000 3.037 236 T HA 0.429 4.779 4.350 0.000 0.000 0.251 236 T C 1.212 175.754 174.700 -0.264 0.000 1.079 236 T CA 0.674 62.656 62.100 -0.197 0.000 1.067 236 T CB 0.319 69.025 68.868 -0.269 0.000 0.948 236 T HN 0.197 nan 8.240 nan 0.000 0.496 237 A N 0.438 123.002 122.820 -0.428 0.000 2.846 237 A HA -0.136 4.184 4.320 0.000 0.000 0.287 237 A C 0.127 177.355 177.584 -0.594 0.000 1.469 237 A CA 1.082 52.861 52.037 -0.429 0.000 0.757 237 A CB -2.469 16.526 19.000 -0.009 0.000 1.033 237 A HN 0.755 nan 8.150 nan 0.000 0.516 238 Q N -2.696 116.481 119.800 -1.039 0.000 2.590 238 Q HA 0.567 4.907 4.340 0.000 0.000 0.295 238 Q C -0.495 175.156 176.000 -0.581 0.000 0.973 238 Q CA -0.894 54.600 55.803 -0.515 0.000 0.768 238 Q CB 1.091 29.763 28.738 -0.109 0.000 1.479 238 Q HN 0.531 nan 8.270 nan 0.000 0.419 242 T N 1.165 115.779 114.554 0.100 0.000 3.209 242 T HA 0.224 4.574 4.350 0.000 0.000 0.366 242 T C 0.634 175.303 174.700 -0.051 0.000 1.293 242 T CA -0.122 62.060 62.100 0.136 0.000 1.417 242 T CB 1.031 69.985 68.868 0.142 0.000 1.013 242 T HN 0.182 nan 8.240 nan 0.000 0.572 243 T N 2.057 116.593 114.554 -0.028 0.000 2.737 243 T HA 0.019 4.369 4.350 0.000 0.000 0.269 243 T C 0.423 174.644 174.700 -0.798 0.000 1.040 243 T CA 1.673 63.517 62.100 -0.427 0.000 1.142 243 T CB -0.335 68.167 68.868 -0.611 0.000 0.861 243 T HN 0.583 nan 8.240 nan 0.000 0.456 244 F N -1.503 118.230 119.950 -0.362 0.000 2.935 244 F HA 0.457 4.984 4.527 0.000 0.000 0.167 244 F C 0.260 175.782 175.800 -0.464 0.000 1.379 244 F CA -1.469 56.241 58.000 -0.483 0.000 0.910 244 F CB -0.527 38.137 39.000 -0.560 0.000 2.105 244 F HN -0.139 nan 8.300 nan 0.000 0.514 245 Y N 2.917 123.149 120.300 -0.113 0.000 2.578 245 Y HA 0.100 4.650 4.550 0.000 0.000 0.339 245 Y C -1.228 174.472 175.900 -0.333 0.000 1.231 245 Y CA -1.810 56.068 58.100 -0.371 0.000 1.461 245 Y CB -0.505 37.410 38.460 -0.907 0.000 1.323 245 Y HN 0.104 nan 8.280 nan 0.000 0.590 246 P HA -0.213 nan 4.420 nan 0.000 0.223 246 P C 0.146 177.590 177.300 0.241 0.000 1.144 246 P CA 1.640 64.816 63.100 0.127 0.000 0.783 246 P CB -0.213 31.600 31.700 0.188 0.000 0.771 247 Y N -1.693 118.764 120.300 0.262 0.000 2.493 247 Y HA 0.487 5.037 4.550 0.000 0.000 0.275 247 Y C 0.455 176.413 175.900 0.096 0.000 1.183 247 Y CA -1.024 57.163 58.100 0.145 0.000 1.258 247 Y CB -0.914 37.587 38.460 0.068 0.000 1.108 247 Y HN -0.115 nan 8.280 nan 0.000 0.521 248 Q N 1.084 120.993 119.800 0.181 0.000 2.381 248 Q HA 0.215 4.555 4.340 0.000 0.000 0.263 248 Q C -1.609 174.655 176.000 0.440 0.000 1.030 248 Q CA -0.666 55.283 55.803 0.243 0.000 0.772 248 Q CB 0.984 29.767 28.738 0.075 0.000 1.232 248 Q HN 0.292 nan 8.270 nan 0.000 0.476 249 W N 2.211 123.652 121.300 0.236 0.000 2.331 249 W HA 0.231 4.891 4.660 0.000 0.000 0.306 249 W C -0.270 176.538 176.519 0.482 0.000 1.162 249 W CA -1.423 56.075 57.345 0.254 0.000 1.232 249 W CB 0.276 29.709 29.460 -0.045 0.000 1.235 249 W HN 0.494 nan 8.180 nan 0.000 0.479 250 D N 2.501 123.296 120.400 0.657 0.000 2.450 250 D HA 0.080 4.720 4.640 0.000 0.000 0.247 250 D C 0.357 177.004 176.300 0.578 0.000 1.162 250 D CA 0.363 54.699 54.000 0.560 0.000 0.879 250 D CB 0.668 41.636 40.800 0.279 0.000 1.163 250 D HN 0.064 nan 8.370 nan 0.000 0.472 251 L N 2.525 123.995 121.223 0.412 0.000 2.439 251 L HA 0.092 4.432 4.340 0.000 0.000 0.269 251 L C 0.883 177.701 176.870 -0.087 0.000 1.179 251 L CA -0.282 54.577 54.840 0.031 0.000 0.828 251 L CB 0.366 42.319 42.059 -0.178 0.000 1.106 251 L HN 0.354 nan 8.230 nan 0.000 0.467 252 N N 1.530 119.945 118.700 -0.475 0.000 2.719 252 N HA 0.057 4.797 4.740 0.000 0.000 0.243 252 N C 0.122 175.358 175.510 -0.457 0.000 1.104 252 N CA -0.256 52.392 53.050 -0.668 0.000 0.981 252 N CB 0.217 38.195 38.487 -0.849 0.000 1.290 252 N HN 0.395 nan 8.380 nan 0.000 0.513 253 W N 1.409 122.583 121.300 -0.209 0.000 2.848 253 W HA -0.015 4.645 4.660 0.000 0.000 0.241 253 W C 2.023 178.601 176.519 0.097 0.000 1.289 253 W CA 0.342 57.670 57.345 -0.028 0.000 1.396 253 W CB -0.122 29.422 29.460 0.141 0.000 1.138 253 W HN 0.599 nan 8.180 nan 0.000 0.677 254 S N -0.792 114.881 115.700 -0.045 0.000 2.562 254 S HA -0.009 4.461 4.470 0.000 0.000 0.221 254 S C 0.711 175.396 174.600 0.142 0.000 0.975 254 S CA -0.045 58.179 58.200 0.040 0.000 0.918 254 S CB -0.297 62.696 63.200 -0.345 0.000 0.772 254 S HN 0.131 nan 8.310 nan 0.000 0.531 255 N N 3.041 121.643 118.700 -0.164 0.000 2.426 255 N HA 0.311 5.051 4.740 0.000 0.000 0.257 255 N C -1.637 173.414 175.510 -0.764 0.000 1.002 255 N CA -2.356 50.435 53.050 -0.431 0.000 0.942 255 N CB 1.728 39.896 38.487 -0.532 0.000 1.112 255 N HN 0.029 nan 8.380 nan 0.000 0.499 256 P HA -0.149 nan 4.420 nan 0.000 0.218 256 P C 0.833 177.344 177.300 -1.315 0.000 1.148 256 P CA 0.984 62.881 63.100 -2.004 0.000 0.822 256 P CB 0.235 30.375 31.700 -2.601 0.000 0.784 257 A N -0.015 122.233 122.820 -0.952 0.000 1.972 257 A HA -0.108 4.212 4.320 0.000 0.000 0.219 257 A C 2.463 179.592 177.584 -0.758 0.000 1.169 257 A CA 1.659 53.370 52.037 -0.543 0.000 0.635 257 A CB -1.580 17.147 19.000 -0.454 0.000 0.810 257 A HN 0.097 nan 8.150 nan 0.000 0.446 258 V N -1.426 117.831 119.914 -1.094 0.000 2.307 258 V HA -0.201 3.919 4.120 0.000 0.000 0.245 258 V C 2.226 177.794 176.094 -0.876 0.000 1.045 258 V CA 1.971 63.532 62.300 -1.231 0.000 1.024 258 V CB -0.892 30.148 31.823 -1.306 0.000 0.651 258 V HN 0.660 nan 8.190 nan 0.000 0.449 259 F N 1.891 121.414 119.950 -0.711 0.000 2.102 259 F HA -0.053 4.474 4.527 0.000 0.000 0.298 259 F C 2.195 177.886 175.800 -0.182 0.000 1.105 259 F CA 1.814 59.644 58.000 -0.282 0.000 1.239 259 F CB -0.855 38.102 39.000 -0.070 0.000 0.991 259 F HN 0.137 nan 8.300 nan 0.000 0.474 260 G N 0.044 108.776 108.800 -0.113 0.000 2.459 260 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 260 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 260 G C 0.613 175.598 174.900 0.142 0.000 1.183 260 G CA 0.900 45.907 45.100 -0.156 0.000 0.776 260 G HN 0.306 nan 8.290 nan 0.000 0.552 264 L N 0.973 122.339 121.223 0.239 0.000 2.093 264 L HA 0.124 4.465 4.340 0.000 0.000 0.208 264 L C 1.972 178.914 176.870 0.121 0.000 1.085 264 L CA 0.918 55.872 54.840 0.190 0.000 0.755 264 L CB -0.678 41.527 42.059 0.244 0.000 0.904 264 L HN 0.563 nan 8.230 nan 0.000 0.435 268 R N 0.937 121.464 120.500 0.046 0.000 2.096 268 R HA -0.018 4.322 4.340 0.000 0.000 0.235 268 R C 2.031 178.391 176.300 0.101 0.000 1.127 268 R CA 1.373 57.516 56.100 0.072 0.000 0.968 268 R CB -0.157 30.194 30.300 0.084 0.000 0.861 268 R HN 0.299 nan 8.270 nan 0.000 0.440 269 L N 0.188 121.486 121.223 0.125 0.000 2.056 269 L HA -0.137 4.203 4.340 0.000 0.000 0.207 269 L C 2.687 179.694 176.870 0.228 0.000 1.078 269 L CA 1.161 56.124 54.840 0.206 0.000 0.749 269 L CB -0.538 41.701 42.059 0.300 0.000 0.901 269 L HN 0.227 nan 8.230 nan 0.000 0.433 270 A N 0.059 123.061 122.820 0.303 0.000 1.933 270 A HA -0.208 4.112 4.320 0.000 0.000 0.218 270 A C 1.944 179.597 177.584 0.115 0.000 1.175 270 A CA 1.848 54.032 52.037 0.244 0.000 0.628 270 A CB -0.528 18.640 19.000 0.280 0.000 0.814 270 A HN 0.424 nan 8.150 nan 0.000 0.444 271 N N -0.174 118.582 118.700 0.094 0.000 2.459 271 N HA 0.007 4.747 4.740 0.000 0.000 0.181 271 N C 1.144 176.682 175.510 0.045 0.000 1.046 271 N CA 0.693 53.776 53.050 0.055 0.000 0.904 271 N CB -0.288 38.224 38.487 0.042 0.000 0.964 271 N HN 0.514 nan 8.380 nan 0.000 0.444 272 L N -1.058 120.203 121.223 0.064 0.000 2.591 272 L HA 0.215 4.555 4.340 0.000 0.000 0.228 272 L C 1.153 178.043 176.870 0.032 0.000 1.133 272 L CA 0.218 55.090 54.840 0.053 0.000 0.880 272 L CB -0.031 42.079 42.059 0.084 0.000 1.033 272 L HN 0.209 nan 8.230 nan 0.000 0.450 273 G N -0.512 108.302 108.800 0.023 0.000 2.184 273 G HA2 -0.221 3.739 3.960 0.000 0.000 0.206 273 G HA3 -0.221 3.739 3.960 0.000 0.000 0.206 273 G C 0.206 175.082 174.900 -0.041 0.000 0.995 273 G CA -0.254 44.839 45.100 -0.011 0.000 0.651 273 G HN 0.026 nan 8.290 nan 0.000 0.511 274 V N 1.303 121.192 119.914 -0.041 0.000 2.521 274 V HA 0.262 4.382 4.120 0.000 0.000 0.286 274 V C 1.278 177.227 176.094 -0.242 0.000 1.034 274 V CA 1.071 63.267 62.300 -0.174 0.000 1.045 274 V CB 1.282 32.941 31.823 -0.274 0.000 0.974 274 V HN 0.484 nan 8.190 nan 0.000 0.480 275 E N 3.053 123.111 120.200 -0.236 0.000 2.460 275 E HA 0.402 4.752 4.350 0.000 0.000 0.200 275 E C 0.404 176.944 176.600 -0.099 0.000 1.011 275 E CA 0.341 56.666 56.400 -0.123 0.000 0.912 275 E CB 1.014 30.680 29.700 -0.055 0.000 0.953 275 E HN 0.775 nan 8.360 nan 0.000 0.494 276 A N 0.821 123.450 122.820 -0.318 0.000 2.486 276 A HA 0.629 4.949 4.320 0.000 0.000 0.300 276 A C -1.573 175.756 177.584 -0.424 0.000 1.048 276 A CA -0.578 51.340 52.037 -0.199 0.000 0.696 276 A CB 0.812 19.780 19.000 -0.054 0.000 1.278 276 A HN 0.053 nan 8.150 nan 0.000 0.405 277 F N 1.138 121.143 119.950 0.091 0.000 2.427 277 F HA 0.521 5.048 4.527 0.000 0.000 0.348 277 F C 0.731 176.614 175.800 0.137 0.000 1.125 277 F CA -0.302 57.764 58.000 0.112 0.000 0.989 277 F CB 1.946 41.008 39.000 0.103 0.000 1.165 277 F HN 0.652 nan 8.300 nan 0.000 0.442 278 R N 4.935 125.599 120.500 0.272 0.000 2.248 278 R HA 0.388 4.729 4.340 0.000 0.000 0.337 278 R C -1.006 175.448 176.300 0.256 0.000 1.106 278 R CA -0.350 55.876 56.100 0.209 0.000 0.959 278 R CB 0.146 30.497 30.300 0.086 0.000 1.075 278 R HN 0.733 nan 8.270 nan 0.000 0.480 279 L N 5.507 126.863 121.223 0.221 0.000 2.401 279 L HA 0.140 4.480 4.340 0.000 0.000 0.283 279 L C -0.151 176.763 176.870 0.073 0.000 1.151 279 L CA -0.246 54.698 54.840 0.173 0.000 0.942 279 L CB 0.297 42.443 42.059 0.145 0.000 1.283 279 L HN 0.481 nan 8.230 nan 0.000 0.442 280 D N 2.102 122.547 120.400 0.075 0.000 2.389 280 D HA 0.025 4.665 4.640 0.000 0.000 0.247 280 D C 0.811 177.114 176.300 0.005 0.000 1.128 280 D CA 0.112 54.131 54.000 0.031 0.000 0.884 280 D CB 1.209 42.063 40.800 0.090 0.000 1.194 280 D HN 0.498 nan 8.370 nan 0.000 0.441 281 S N 0.424 116.157 115.700 0.054 0.000 3.614 281 S HA -0.219 4.251 4.470 0.000 0.000 0.360 281 S C 1.541 176.301 174.600 0.267 0.000 1.023 281 S CA 0.986 59.337 58.200 0.252 0.000 1.114 281 S CB -1.711 61.658 63.200 0.280 0.000 0.907 281 S HN 0.739 nan 8.310 nan 0.000 0.470 282 T N -1.620 112.994 114.554 0.101 0.000 2.962 282 T HA 0.076 4.426 4.350 0.000 0.000 0.270 282 T C 1.933 176.654 174.700 0.036 0.000 1.088 282 T CA 1.008 63.124 62.100 0.028 0.000 1.127 282 T CB -0.374 68.507 68.868 0.021 0.000 0.883 282 T HN 0.787 nan 8.240 nan 0.000 0.493 283 A N 0.887 123.739 122.820 0.053 0.000 2.024 283 A HA 0.003 4.323 4.320 0.000 0.000 0.220 283 A C 1.724 179.155 177.584 -0.255 0.000 1.164 283 A CA 1.017 52.973 52.037 -0.136 0.000 0.643 283 A CB -0.953 17.869 19.000 -0.296 0.000 0.806 283 A HN 0.707 nan 8.150 nan 0.000 0.451 284 Y N -0.346 119.983 120.300 0.048 0.000 2.466 284 Y HA 0.280 4.830 4.550 0.000 0.000 0.272 284 Y C 1.661 177.541 175.900 -0.034 0.000 1.169 284 Y CA -0.364 57.749 58.100 0.021 0.000 1.285 284 Y CB -0.483 38.026 38.460 0.082 0.000 1.078 284 Y HN 0.144 nan 8.280 nan 0.000 0.523 285 L N -1.060 120.195 121.223 0.053 0.000 2.081 285 L HA -0.231 4.109 4.340 0.000 0.000 0.212 285 L C 1.117 178.030 176.870 0.072 0.000 1.080 285 L CA 1.284 56.081 54.840 -0.072 0.000 0.754 285 L CB -0.135 41.704 42.059 -0.366 0.000 0.893 285 L HN 0.419 nan 8.230 nan 0.000 0.433 286 W N 1.070 122.300 121.300 -0.117 0.000 2.520 286 W HA 0.338 4.998 4.660 0.000 0.000 0.323 286 W C -0.591 175.861 176.519 -0.112 0.000 1.062 286 W CA -0.810 56.488 57.345 -0.077 0.000 1.215 286 W CB 1.609 31.018 29.460 -0.085 0.000 1.340 286 W HN -0.258 nan 8.180 nan 0.000 0.516 287 K N 4.157 124.188 120.400 -0.615 0.000 2.274 287 K HA 0.379 4.699 4.320 0.000 0.000 0.262 287 K C -0.709 175.800 176.600 -0.150 0.000 0.961 287 K CA -0.525 55.489 56.287 -0.454 0.000 0.833 287 K CB 1.835 33.767 32.500 -0.947 0.000 1.102 287 K HN 0.404 nan 8.250 nan 0.000 0.436 288 R N 3.845 124.475 120.500 0.217 0.000 2.510 288 R HA 0.369 4.709 4.340 0.000 0.000 0.294 288 R C -0.891 175.615 176.300 0.344 0.000 1.056 288 R CA -0.576 55.709 56.100 0.307 0.000 0.918 288 R CB 0.882 31.362 30.300 0.300 0.000 1.187 288 R HN 0.791 nan 8.270 nan 0.000 0.437 289 I N 4.367 125.051 120.570 0.190 0.000 2.710 289 I HA 0.126 4.296 4.170 0.000 0.000 0.286 289 I C 0.980 177.075 176.117 -0.037 0.000 1.181 289 I CA 2.237 63.434 61.300 -0.173 0.000 1.430 289 I CB 0.645 38.342 38.000 -0.506 0.000 1.367 289 I HN 1.047 nan 8.210 nan 0.000 0.577 290 G N 3.875 112.658 108.800 -0.029 0.000 2.254 290 G HA2 -0.265 3.695 3.960 0.000 0.000 0.225 290 G HA3 -0.265 3.695 3.960 0.000 0.000 0.225 290 G C 0.303 175.227 174.900 0.040 0.000 1.003 290 G CA 0.274 45.371 45.100 -0.006 0.000 0.622 290 G HN 0.958 nan 8.290 nan 0.000 0.507 291 T N -1.524 113.084 114.554 0.090 0.000 2.889 291 T HA 0.562 4.912 4.350 0.000 0.000 0.278 291 T C 0.935 175.708 174.700 0.121 0.000 0.995 291 T CA 0.568 62.724 62.100 0.094 0.000 0.966 291 T CB 1.711 70.642 68.868 0.106 0.000 1.237 291 T HN 0.271 nan 8.240 nan 0.000 0.591 292 D N -1.145 119.310 120.400 0.092 0.000 2.340 292 D HA 0.076 4.716 4.640 0.000 0.000 0.220 292 D C 0.597 176.965 176.300 0.112 0.000 1.039 292 D CA -0.219 53.834 54.000 0.090 0.000 0.866 292 D CB -1.471 39.354 40.800 0.042 0.000 0.913 292 D HN 0.676 nan 8.370 nan 0.000 0.523 296 Q N 0.557 120.329 119.800 -0.046 0.000 2.394 296 Q HA 0.138 4.478 4.340 0.000 0.000 0.248 296 Q C 1.352 177.319 176.000 -0.054 0.000 0.992 296 Q CA 0.190 55.986 55.803 -0.012 0.000 0.888 296 Q CB 1.500 30.287 28.738 0.082 0.000 1.257 296 Q HN 0.176 nan 8.270 nan 0.000 0.462 297 S N 2.152 117.809 115.700 -0.072 0.000 2.374 297 S HA -0.240 4.230 4.470 0.000 0.000 0.227 297 S C 1.208 175.685 174.600 -0.205 0.000 1.037 297 S CA 2.041 60.183 58.200 -0.098 0.000 1.024 297 S CB 0.176 63.291 63.200 -0.142 0.000 0.861 297 S HN 0.584 nan 8.310 nan 0.000 0.456 298 E N 1.090 121.045 120.200 -0.409 0.000 2.204 298 E HA 0.044 4.394 4.350 0.000 0.000 0.195 298 E C 2.255 178.616 176.600 -0.399 0.000 0.990 298 E CA 1.048 57.051 56.400 -0.662 0.000 0.821 298 E CB -0.494 28.227 29.700 -1.631 0.000 0.750 298 E HN 0.631 nan 8.360 nan 0.000 0.477 299 A N 0.640 123.310 122.820 -0.250 0.000 1.930 299 A HA -0.203 4.117 4.320 0.000 0.000 0.217 299 A C 1.759 179.147 177.584 -0.326 0.000 1.175 299 A CA 1.377 53.266 52.037 -0.248 0.000 0.627 299 A CB -0.555 18.282 19.000 -0.272 0.000 0.815 299 A HN 0.285 nan 8.150 nan 0.000 0.443 300 H N -0.534 118.411 119.070 -0.208 0.000 2.428 300 H HA -0.055 4.501 4.556 0.000 0.000 0.296 300 H C 2.183 177.418 175.328 -0.156 0.000 1.062 300 H CA 1.778 57.705 56.048 -0.201 0.000 1.350 300 H CB -0.451 29.162 29.762 -0.250 0.000 1.403 300 H HN 0.447 nan 8.280 nan 0.000 0.533 301 T N 1.496 115.990 114.554 -0.101 0.000 2.788 301 T HA -0.069 4.281 4.350 0.000 0.000 0.268 301 T C 2.425 177.059 174.700 -0.110 0.000 1.044 301 T CA 0.521 62.538 62.100 -0.137 0.000 1.139 301 T CB -0.218 68.496 68.868 -0.257 0.000 0.867 301 T HN 0.179 nan 8.240 nan 0.000 0.454 302 L N 0.419 121.569 121.223 -0.122 0.000 2.046 302 L HA -0.039 4.301 4.340 0.000 0.000 0.208 302 L C 2.427 179.344 176.870 0.079 0.000 1.077 302 L CA 1.181 56.017 54.840 -0.007 0.000 0.747 302 L CB -0.524 41.475 42.059 -0.100 0.000 0.896 302 L HN 0.273 nan 8.230 nan 0.000 0.432 303 L N -1.276 119.948 121.223 0.001 0.000 2.141 303 L HA -0.177 4.163 4.340 0.000 0.000 0.209 303 L C 2.499 179.432 176.870 0.105 0.000 1.094 303 L CA 0.653 55.529 54.840 0.059 0.000 0.763 303 L CB -0.561 41.529 42.059 0.051 0.000 0.908 303 L HN 0.082 nan 8.230 nan 0.000 0.437 304 V N 0.269 120.230 119.914 0.078 0.000 2.343 304 V HA -0.277 3.843 4.120 0.000 0.000 0.247 304 V C 2.787 178.949 176.094 0.114 0.000 1.051 304 V CA 1.826 64.176 62.300 0.083 0.000 1.036 304 V CB -0.748 31.099 31.823 0.040 0.000 0.654 304 V HN 0.474 nan 8.190 nan 0.000 0.451 305 A N -0.317 122.583 122.820 0.134 0.000 1.877 305 A HA -0.153 4.167 4.320 0.000 0.000 0.216 305 A C 2.210 180.032 177.584 0.397 0.000 1.186 305 A CA 1.762 53.935 52.037 0.226 0.000 0.620 305 A CB -0.534 18.534 19.000 0.113 0.000 0.822 305 A HN 0.492 nan 8.150 nan 0.000 0.443 306 L N -1.136 120.329 121.223 0.404 0.000 2.046 306 L HA -0.182 4.158 4.340 0.000 0.000 0.208 306 L C 2.770 179.768 176.870 0.213 0.000 1.077 306 L CA 1.656 56.685 54.840 0.315 0.000 0.747 306 L CB -0.430 41.760 42.059 0.219 0.000 0.896 306 L HN 0.406 nan 8.230 nan 0.000 0.432 307 R N 0.922 121.529 120.500 0.177 0.000 2.081 307 R HA -0.136 4.205 4.340 0.000 0.000 0.235 307 R C 2.189 178.557 176.300 0.114 0.000 1.131 307 R CA 1.804 57.991 56.100 0.145 0.000 0.960 307 R CB -0.755 29.612 30.300 0.112 0.000 0.856 307 R HN 0.287 nan 8.270 nan 0.000 0.436 308 A N -0.095 122.792 122.820 0.111 0.000 1.940 308 A HA -0.103 4.217 4.320 0.000 0.000 0.219 308 A C 2.363 179.987 177.584 0.066 0.000 1.176 308 A CA 1.798 53.867 52.037 0.054 0.000 0.631 308 A CB -0.753 18.291 19.000 0.074 0.000 0.814 308 A HN 0.201 nan 8.150 nan 0.000 0.446 309 V N 0.622 120.640 119.914 0.173 0.000 2.343 309 V HA -0.261 3.859 4.120 0.000 0.000 0.247 309 V C 3.036 179.200 176.094 0.116 0.000 1.051 309 V CA 2.525 64.936 62.300 0.186 0.000 1.036 309 V CB -1.413 30.594 31.823 0.308 0.000 0.654 309 V HN 0.868 nan 8.190 nan 0.000 0.451 310 T N -2.652 111.971 114.554 0.114 0.000 2.857 310 T HA -0.194 4.156 4.350 0.000 0.000 0.266 310 T C 1.579 176.325 174.700 0.077 0.000 1.048 310 T CA 1.396 63.565 62.100 0.115 0.000 1.139 310 T CB -0.441 68.527 68.868 0.167 0.000 0.874 310 T HN 0.399 nan 8.240 nan 0.000 0.455 311 D N 1.258 121.653 120.400 -0.008 0.000 2.182 311 D HA 0.005 4.645 4.640 0.000 0.000 0.201 311 D C 1.997 178.223 176.300 -0.124 0.000 0.986 311 D CA 0.920 54.809 54.000 -0.184 0.000 0.847 311 D CB -0.160 40.245 40.800 -0.658 0.000 0.942 311 D HN 0.489 nan 8.370 nan 0.000 0.467 312 I N -0.046 120.503 120.570 -0.036 0.000 2.270 312 I HA -0.159 4.011 4.170 0.000 0.000 0.239 312 I C 2.333 178.537 176.117 0.146 0.000 1.080 312 I CA 0.522 61.864 61.300 0.070 0.000 1.383 312 I CB -0.033 37.974 38.000 0.012 0.000 1.097 312 I HN -0.153 nan 8.210 nan 0.000 0.420 313 V N 0.410 120.410 119.914 0.144 0.000 2.535 313 V HA 0.119 4.239 4.120 0.000 0.000 0.246 313 V C 0.962 177.131 176.094 0.125 0.000 1.045 313 V CA 1.146 63.543 62.300 0.163 0.000 1.058 313 V CB -0.297 31.619 31.823 0.154 0.000 0.689 313 V HN 0.473 nan 8.190 nan 0.000 0.461 314 A N 0.139 123.028 122.820 0.115 0.000 3.409 314 A HA 0.490 4.810 4.320 0.000 0.000 0.282 314 A C -1.697 175.957 177.584 0.116 0.000 1.064 314 A CA -0.557 51.545 52.037 0.108 0.000 0.889 314 A CB 0.279 19.350 19.000 0.119 0.000 1.251 314 A HN 0.248 nan 8.150 nan 0.000 0.538 315 P HA -0.126 nan 4.420 nan 0.000 0.231 315 P C 1.251 178.628 177.300 0.128 0.000 1.158 315 P CA 1.456 64.631 63.100 0.125 0.000 0.763 315 P CB 0.220 31.988 31.700 0.113 0.000 0.805 316 A N -0.249 122.607 122.820 0.060 0.000 2.119 316 A HA 0.079 4.399 4.320 0.000 0.000 0.216 316 A C 1.270 178.880 177.584 0.044 0.000 1.152 316 A CA 0.444 52.451 52.037 -0.050 0.000 0.708 316 A CB -0.705 18.208 19.000 -0.145 0.000 0.805 316 A HN 0.087 nan 8.150 nan 0.000 0.460 317 V N 0.584 120.584 119.914 0.142 0.000 2.834 317 V HA 0.377 4.497 4.120 0.000 0.000 0.301 317 V C 0.530 176.741 176.094 0.195 0.000 1.066 317 V CA 0.032 62.459 62.300 0.211 0.000 1.052 317 V CB 1.318 33.310 31.823 0.281 0.000 1.021 317 V HN 0.410 nan 8.190 nan 0.000 0.480 321 A N 3.212 126.077 122.820 0.076 0.000 2.362 321 A HA 0.230 4.551 4.320 0.000 0.000 0.276 321 A C -0.232 177.340 177.584 -0.020 0.000 1.153 321 A CA -0.094 51.906 52.037 -0.062 0.000 0.813 321 A CB 0.657 19.469 19.000 -0.313 0.000 1.081 321 A HN 0.577 nan 8.150 nan 0.000 0.507 322 E N 2.502 122.647 120.200 -0.091 0.000 2.136 322 E HA 0.483 4.833 4.350 0.000 0.000 0.246 322 E C -0.885 175.586 176.600 -0.214 0.000 1.017 322 E CA -0.225 56.072 56.400 -0.171 0.000 0.883 322 E CB 0.565 30.190 29.700 -0.126 0.000 1.199 322 E HN 0.628 nan 8.360 nan 0.000 0.447 323 A N 6.346 129.010 122.820 -0.260 0.000 2.702 323 A HA 0.317 4.637 4.320 0.000 0.000 0.305 323 A C -0.356 177.149 177.584 -0.131 0.000 1.213 323 A CA -0.653 51.234 52.037 -0.250 0.000 0.745 323 A CB 0.175 18.830 19.000 -0.575 0.000 1.161 323 A HN 0.397 nan 8.150 nan 0.000 0.445 324 I N 3.838 124.359 120.570 -0.082 0.000 2.453 324 I HA 0.192 4.362 4.170 0.000 0.000 0.300 324 I C 0.395 176.513 176.117 0.001 0.000 1.159 324 I CA 0.645 61.925 61.300 -0.034 0.000 1.379 324 I CB -1.178 36.792 38.000 -0.049 0.000 1.460 324 I HN 0.444 nan 8.210 nan 0.000 0.601 325 V N 5.294 125.215 119.914 0.012 0.000 3.182 325 V HA 0.740 4.860 4.120 0.000 0.000 0.308 325 V C -2.622 173.490 176.094 0.030 0.000 1.240 325 V CA -1.807 60.510 62.300 0.028 0.000 1.063 325 V CB 1.845 33.692 31.823 0.041 0.000 1.076 325 V HN 0.316 nan 8.190 nan 0.000 0.446 329 Q N 0.632 120.463 119.800 0.051 0.000 2.198 329 Q HA 0.530 4.870 4.340 0.000 0.000 0.209 329 Q C 1.477 177.576 176.000 0.165 0.000 0.848 329 Q CA -0.059 55.791 55.803 0.078 0.000 0.974 329 Q CB 0.435 29.219 28.738 0.077 0.000 1.115 329 Q HN 0.481 nan 8.270 nan 0.000 0.494 330 L N 0.102 121.424 121.223 0.166 0.000 2.298 330 L HA 0.069 4.409 4.340 0.000 0.000 0.209 330 L C -0.882 176.051 176.870 0.106 0.000 1.084 330 L CA 0.177 55.145 54.840 0.214 0.000 0.816 330 L CB -0.877 41.325 42.059 0.238 0.000 0.967 330 L HN 0.081 nan 8.230 nan 0.000 0.460 331 P HA -0.162 nan 4.420 nan 0.000 0.216 331 P C -1.401 175.901 177.300 0.004 0.000 1.154 331 P CA 1.717 64.912 63.100 0.158 0.000 0.865 331 P CB -1.013 30.771 31.700 0.140 0.000 0.789 332 P HA -0.190 nan 4.420 nan 0.000 0.217 332 P C 1.082 178.109 177.300 -0.455 0.000 1.148 332 P CA 1.364 64.206 63.100 -0.431 0.000 0.828 332 P CB -0.633 30.678 31.700 -0.648 0.000 0.783 333 Y N -2.707 117.514 120.300 -0.131 0.000 2.421 333 Y HA -0.080 4.470 4.550 0.000 0.000 0.292 333 Y C 1.690 177.488 175.900 -0.170 0.000 1.136 333 Y CA 0.919 58.964 58.100 -0.093 0.000 1.255 333 Y CB -0.979 37.352 38.460 -0.215 0.000 0.991 333 Y HN -0.062 nan 8.280 nan 0.000 0.552 334 F N -0.282 119.706 119.950 0.064 0.000 2.797 334 F HA 0.369 4.896 4.527 0.000 0.000 0.302 334 F C 1.265 177.032 175.800 -0.055 0.000 1.130 334 F CA 0.298 58.284 58.000 -0.023 0.000 1.387 334 F CB -0.316 38.631 39.000 -0.088 0.000 1.107 334 F HN -0.065 nan 8.300 nan 0.000 0.577 335 G N 0.287 109.123 108.800 0.059 0.000 3.067 335 G HA2 -0.008 3.952 3.960 0.000 0.000 0.686 335 G HA3 -0.008 3.952 3.960 0.000 0.000 0.686 335 G C -0.632 174.234 174.900 -0.057 0.000 1.119 335 G CA -0.937 44.158 45.100 -0.008 0.000 0.790 335 G HN 0.091 nan 8.290 nan 0.000 0.605 336 S N 0.994 116.619 115.700 -0.125 0.000 2.593 336 S HA 0.894 5.364 4.470 0.000 0.000 0.297 336 S C 1.399 175.953 174.600 -0.076 0.000 1.112 336 S CA 0.924 59.050 58.200 -0.123 0.000 1.043 336 S CB 1.385 64.463 63.200 -0.203 0.000 1.054 336 S HN 2.570 nan 8.310 nan 0.000 0.516 337 G N 1.336 110.100 108.800 -0.060 0.000 2.651 337 G HA2 -0.346 3.614 3.960 0.000 0.000 0.315 337 G HA3 -0.346 3.614 3.960 0.000 0.000 0.315 337 G C 1.169 176.057 174.900 -0.020 0.000 1.258 337 G CA 0.973 46.048 45.100 -0.042 0.000 1.002 337 G HN 1.582 nan 8.290 nan 0.000 0.551 338 V N -1.892 118.015 119.914 -0.011 0.000 2.867 338 V HA 0.082 4.202 4.120 0.000 0.000 0.260 338 V C 1.602 177.742 176.094 0.077 0.000 1.099 338 V CA 2.983 65.295 62.300 0.020 0.000 1.122 338 V CB -0.293 31.535 31.823 0.007 0.000 0.708 338 V HN 0.531 nan 8.190 nan 0.000 0.490 339 D N 0.452 120.886 120.400 0.058 0.000 2.368 339 D HA 0.136 4.776 4.640 0.000 0.000 0.218 339 D C 0.732 177.080 176.300 0.080 0.000 1.112 339 D CA 0.067 54.144 54.000 0.128 0.000 0.834 339 D CB 0.314 41.154 40.800 0.068 0.000 0.953 339 D HN 0.764 nan 8.370 nan 0.000 0.505 340 E N 0.162 120.366 120.200 0.007 0.000 2.415 340 E HA 0.209 4.559 4.350 0.000 0.000 0.263 340 E C 1.041 177.558 176.600 -0.138 0.000 0.995 340 E CA 0.542 56.919 56.400 -0.037 0.000 0.915 340 E CB 0.322 29.994 29.700 -0.047 0.000 0.951 340 E HN 0.251 nan 8.360 nan 0.000 0.449 341 G N 4.548 113.275 108.800 -0.121 0.000 2.176 341 G HA2 -0.240 3.720 3.960 0.000 0.000 0.253 341 G HA3 -0.240 3.720 3.960 0.000 0.000 0.253 341 G C 0.334 175.065 174.900 -0.282 0.000 0.979 341 G CA 0.261 45.230 45.100 -0.217 0.000 0.641 341 G HN 0.724 nan 8.290 nan 0.000 0.530 342 H N -0.057 119.024 119.070 0.017 0.000 2.467 342 H HA 0.448 5.004 4.556 0.000 0.000 0.275 342 H C 0.971 176.301 175.328 0.003 0.000 1.131 342 H CA 0.620 56.677 56.048 0.014 0.000 0.989 342 H CB 0.711 30.495 29.762 0.037 0.000 1.696 342 H HN 0.705 nan 8.280 nan 0.000 0.574 343 E N -0.588 119.655 120.200 0.072 0.000 4.381 343 E HA 0.252 4.602 4.350 0.000 0.000 0.212 343 E C -0.368 176.244 176.600 0.021 0.000 1.112 343 E CA -0.394 56.050 56.400 0.074 0.000 0.938 343 E CB 0.970 30.731 29.700 0.101 0.000 2.387 343 E HN 0.094 nan 8.360 nan 0.000 0.486 344 C N 1.847 121.201 119.300 0.090 0.000 2.536 344 C HA 0.284 4.744 4.460 0.000 0.000 0.396 344 C C 1.448 176.511 174.990 0.121 0.000 1.279 344 C CA -0.357 58.724 59.018 0.105 0.000 2.148 344 C CB -0.241 27.575 27.740 0.127 0.000 2.584 344 C HN 0.624 nan 8.230 nan 0.000 0.579 345 H N 0.852 119.974 119.070 0.088 0.000 2.465 345 H HA 0.204 4.760 4.556 0.000 0.000 0.289 345 H C 0.016 175.339 175.328 -0.009 0.000 1.022 345 H CA 0.978 57.013 56.048 -0.021 0.000 1.340 345 H CB 0.263 29.756 29.762 -0.448 0.000 1.437 345 H HN 0.452 nan 8.280 nan 0.000 0.539 346 L N -0.158 121.136 121.223 0.118 0.000 2.354 346 L HA 0.678 5.018 4.340 0.000 0.000 0.264 346 L C -0.615 176.327 176.870 0.120 0.000 1.008 346 L CA -0.976 53.926 54.840 0.103 0.000 0.819 346 L CB 2.529 44.503 42.059 -0.142 0.000 1.339 346 L HN -0.019 nan 8.230 nan 0.000 0.420 347 A N 0.632 123.550 122.820 0.163 0.000 2.549 347 A HA 0.719 5.039 4.320 0.000 0.000 0.297 347 A C -1.868 175.938 177.584 0.370 0.000 1.061 347 A CA -0.453 51.681 52.037 0.161 0.000 0.690 347 A CB 0.971 19.932 19.000 -0.065 0.000 1.287 347 A HN 0.468 nan 8.150 nan 0.000 0.402 348 Y N 1.647 122.067 120.300 0.200 0.000 2.402 348 Y HA 0.219 4.769 4.550 0.000 0.000 0.333 348 Y C 1.013 177.088 175.900 0.290 0.000 1.076 348 Y CA 0.553 58.806 58.100 0.254 0.000 1.299 348 Y CB 0.552 39.077 38.460 0.108 0.000 1.197 348 Y HN 0.697 nan 8.280 nan 0.000 0.517 349 H N 2.978 122.231 119.070 0.305 0.000 2.855 349 H HA 0.173 4.729 4.556 0.000 0.000 0.238 349 H C 0.672 175.994 175.328 -0.009 0.000 1.847 349 H CA -0.193 55.809 56.048 -0.077 0.000 1.368 349 H CB 0.100 29.619 29.762 -0.406 0.000 1.758 349 H HN 0.725 nan 8.280 nan 0.000 0.546 350 S N 1.261 117.113 115.700 0.253 0.000 2.402 350 S HA -0.124 4.347 4.470 0.000 0.000 0.229 350 S C 2.083 176.699 174.600 0.027 0.000 1.021 350 S CA 1.348 59.626 58.200 0.130 0.000 0.974 350 S CB 0.235 63.528 63.200 0.155 0.000 0.800 350 S HN 0.575 nan 8.310 nan 0.000 0.484 351 T N 2.478 117.093 114.554 0.103 0.000 2.684 351 T HA -0.031 4.319 4.350 0.000 0.000 0.267 351 T C 0.918 175.614 174.700 -0.007 0.000 1.036 351 T CA 0.678 62.826 62.100 0.079 0.000 1.148 351 T CB -0.433 68.498 68.868 0.104 0.000 0.863 351 T HN 0.190 nan 8.240 nan 0.000 0.436 355 A N 0.484 123.312 122.820 0.012 0.000 1.930 355 A HA 0.281 4.601 4.320 0.000 0.000 0.217 355 A C 2.308 179.779 177.584 -0.188 0.000 1.175 355 A CA 2.393 54.374 52.037 -0.094 0.000 0.627 355 A CB -1.213 17.672 19.000 -0.193 0.000 0.815 355 A HN 1.349 nan 8.150 nan 0.000 0.443 356 G N -1.170 107.499 108.800 -0.218 0.000 2.459 356 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 356 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 356 G C 1.408 176.243 174.900 -0.108 0.000 1.183 356 G CA 1.021 45.962 45.100 -0.265 0.000 0.776 356 G HN 0.674 nan 8.290 nan 0.000 0.552 357 W N 1.123 122.464 121.300 0.068 0.000 2.388 357 W HA 0.039 4.699 4.660 0.000 0.000 0.294 357 W C 3.163 179.868 176.519 0.311 0.000 1.212 357 W CA 1.033 58.505 57.345 0.212 0.000 1.271 357 W CB -0.176 29.370 29.460 0.144 0.000 1.126 357 W HN 0.125 nan 8.180 nan 0.000 0.535 358 S N 0.384 116.318 115.700 0.390 0.000 2.356 358 S HA -0.191 4.279 4.470 0.000 0.000 0.223 358 S C 2.031 176.560 174.600 -0.120 0.000 1.032 358 S CA 1.458 59.701 58.200 0.072 0.000 1.005 358 S CB -0.954 62.175 63.200 -0.118 0.000 0.867 358 S HN 0.277 nan 8.310 nan 0.000 0.449 359 A N 1.253 123.945 122.820 -0.214 0.000 1.940 359 A HA -0.084 4.236 4.320 0.000 0.000 0.219 359 A C 2.133 179.762 177.584 0.075 0.000 1.176 359 A CA 1.426 53.264 52.037 -0.331 0.000 0.631 359 A CB -0.700 17.780 19.000 -0.867 0.000 0.814 359 A HN 0.407 nan 8.150 nan 0.000 0.446 360 L N -0.380 121.046 121.223 0.338 0.000 2.005 360 L HA -0.032 4.308 4.340 0.000 0.000 0.207 360 L C 2.749 179.777 176.870 0.264 0.000 1.072 360 L CA 2.221 57.356 54.840 0.492 0.000 0.744 360 L CB -0.764 41.572 42.059 0.461 0.000 0.895 360 L HN 0.331 nan 8.230 nan 0.000 0.433 361 A N -0.784 122.088 122.820 0.086 0.000 1.933 361 A HA -0.134 4.186 4.320 0.000 0.000 0.218 361 A C 2.121 179.415 177.584 -0.483 0.000 1.175 361 A CA 1.978 53.684 52.037 -0.552 0.000 0.628 361 A CB -0.806 17.709 19.000 -0.809 0.000 0.814 361 A HN 0.503 nan 8.150 nan 0.000 0.444 362 L N -1.552 119.524 121.223 -0.245 0.000 2.592 362 L HA 0.078 4.418 4.340 0.000 0.000 0.227 362 L C 0.309 177.130 176.870 -0.081 0.000 1.127 362 L CA 0.082 54.804 54.840 -0.196 0.000 0.884 362 L CB -0.245 41.682 42.059 -0.221 0.000 1.065 362 L HN 0.443 nan 8.230 nan 0.000 0.457 363 Q N 1.053 120.869 119.800 0.027 0.000 2.451 363 Q HA -0.197 4.143 4.340 0.000 0.000 0.305 363 Q C -0.228 175.806 176.000 0.056 0.000 1.345 363 Q CA 0.626 56.503 55.803 0.123 0.000 0.854 363 Q CB -1.153 27.635 28.738 0.082 0.000 1.162 363 Q HN 0.512 nan 8.270 nan 0.000 0.440 364 R N -0.756 119.729 120.500 -0.025 0.000 2.412 364 R HA 0.269 4.609 4.340 0.000 0.000 0.304 364 R C 1.141 177.290 176.300 -0.252 0.000 1.066 364 R CA 0.109 56.140 56.100 -0.115 0.000 0.923 364 R CB 0.992 31.185 30.300 -0.179 0.000 1.156 364 R HN 0.279 nan 8.270 nan 0.000 0.513 365 G N 1.700 110.414 108.800 -0.143 0.000 2.534 365 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 365 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 365 G C 1.029 175.821 174.900 -0.181 0.000 1.128 365 G CA 0.438 45.395 45.100 -0.237 0.000 0.784 365 G HN 0.643 nan 8.290 nan 0.000 0.542 366 D N 1.112 121.457 120.400 -0.092 0.000 2.263 366 D HA -0.113 4.527 4.640 0.000 0.000 0.208 366 D C 2.177 178.441 176.300 -0.061 0.000 0.971 366 D CA 0.329 54.322 54.000 -0.011 0.000 0.867 366 D CB -0.383 40.422 40.800 0.009 0.000 0.929 366 D HN 0.421 nan 8.370 nan 0.000 0.492 367 I N 0.025 120.459 120.570 -0.228 0.000 2.353 367 I HA -0.178 3.992 4.170 0.000 0.000 0.248 367 I C 2.507 178.423 176.117 -0.335 0.000 1.119 367 I CA 0.582 61.717 61.300 -0.275 0.000 1.417 367 I CB -0.077 37.615 38.000 -0.514 0.000 1.078 367 I HN -0.030 nan 8.210 nan 0.000 0.421 368 L N -0.220 120.655 121.223 -0.581 0.000 2.109 368 L HA -0.217 4.123 4.340 0.000 0.000 0.207 368 L C 2.690 179.195 176.870 -0.608 0.000 1.086 368 L CA 1.147 55.452 54.840 -0.892 0.000 0.760 368 L CB -0.735 40.249 42.059 -1.792 0.000 0.910 368 L HN 0.314 nan 8.230 nan 0.000 0.437 369 H N 0.317 119.207 119.070 -0.300 0.000 2.352 369 H HA -0.220 4.336 4.556 0.000 0.000 0.299 369 H C 2.116 177.498 175.328 0.089 0.000 1.097 369 H CA 2.160 58.280 56.048 0.120 0.000 1.311 369 H CB -0.046 29.815 29.762 0.165 0.000 1.377 369 H HN 0.205 nan 8.280 nan 0.000 0.504 370 N N 0.045 118.712 118.700 -0.055 0.000 2.069 370 N HA -0.147 4.593 4.740 0.000 0.000 0.191 370 N C 2.002 177.540 175.510 0.046 0.000 1.031 370 N CA 1.795 54.847 53.050 0.004 0.000 0.852 370 N CB -0.591 37.907 38.487 0.018 0.000 1.018 370 N HN 0.294 nan 8.380 nan 0.000 0.423 371 V N 1.021 120.902 119.914 -0.055 0.000 2.261 371 V HA -0.182 3.938 4.120 0.000 0.000 0.246 371 V C 2.311 178.412 176.094 0.013 0.000 1.047 371 V CA 1.209 63.493 62.300 -0.027 0.000 1.015 371 V CB -0.438 31.308 31.823 -0.130 0.000 0.642 371 V HN 0.313 nan 8.190 nan 0.000 0.446 372 I N 0.606 121.154 120.570 -0.036 0.000 2.252 372 I HA -0.149 4.021 4.170 0.000 0.000 0.245 372 I C 2.694 178.822 176.117 0.017 0.000 1.102 372 I CA 1.791 63.114 61.300 0.039 0.000 1.385 372 I CB -1.676 36.426 38.000 0.171 0.000 1.064 372 I HN 0.306 nan 8.210 nan 0.000 0.414 373 A N -0.047 122.709 122.820 -0.108 0.000 2.024 373 A HA -0.219 4.101 4.320 0.000 0.000 0.220 373 A C 1.782 179.217 177.584 -0.248 0.000 1.164 373 A CA 1.673 53.568 52.037 -0.237 0.000 0.643 373 A CB -0.926 17.748 19.000 -0.542 0.000 0.806 373 A HN 0.557 nan 8.150 nan 0.000 0.451 374 H N -1.441 117.609 119.070 -0.033 0.000 2.652 374 H HA 0.283 4.839 4.556 0.000 0.000 0.274 374 H C 0.620 175.987 175.328 0.065 0.000 1.021 374 H CA 0.280 56.343 56.048 0.024 0.000 1.187 374 H CB 0.304 30.088 29.762 0.037 0.000 1.505 374 H HN 0.325 nan 8.280 nan 0.000 0.530 375 S N 2.599 118.400 115.700 0.169 0.000 2.515 375 S HA 0.077 4.547 4.470 0.000 0.000 0.285 375 S C -2.320 172.425 174.600 0.243 0.000 1.265 375 S CA -1.235 57.090 58.200 0.208 0.000 1.079 375 S CB 0.176 63.520 63.200 0.240 0.000 0.877 375 S HN 0.091 nan 8.310 nan 0.000 0.493 376 P HA 0.168 nan 4.420 nan 0.000 0.264 376 P C -2.323 175.144 177.300 0.279 0.000 1.193 376 P CA -0.963 62.295 63.100 0.264 0.000 0.763 376 P CB -0.078 31.800 31.700 0.297 0.000 0.810 377 P HA 0.036 nan 4.420 nan 0.000 0.268 377 P C -0.394 176.888 177.300 -0.030 0.000 1.204 377 P CA 0.192 63.335 63.100 0.072 0.000 0.768 377 P CB 0.636 32.348 31.700 0.021 0.000 0.842 378 L N 5.585 126.727 121.223 -0.135 0.000 2.455 378 L HA 0.165 4.505 4.340 0.000 0.000 0.272 378 L C -1.601 175.037 176.870 -0.388 0.000 1.174 378 L CA -1.573 53.009 54.840 -0.430 0.000 0.869 378 L CB -0.491 41.263 42.059 -0.510 0.000 1.130 378 L HN 0.277 nan 8.230 nan 0.000 0.474 379 P HA 0.094 nan 4.420 nan 0.000 0.272 379 P C -0.532 176.570 177.300 -0.330 0.000 1.240 379 P CA -0.650 62.253 63.100 -0.329 0.000 0.791 379 P CB 0.422 31.945 31.700 -0.295 0.000 0.978 380 R N 1.563 121.897 120.500 -0.276 0.000 2.585 380 R HA -0.073 4.267 4.340 0.000 0.000 0.275 380 R C -0.013 176.119 176.300 -0.279 0.000 1.018 380 R CA 0.312 56.198 56.100 -0.357 0.000 1.072 380 R CB -0.384 29.674 30.300 -0.404 0.000 0.953 380 R HN 0.625 nan 8.270 nan 0.000 0.419 381 H N -0.068 118.927 119.070 -0.125 0.000 2.862 381 H HA -0.180 4.377 4.556 0.000 0.000 0.290 381 H C -0.794 174.586 175.328 0.087 0.000 1.211 381 H CA 0.604 56.626 56.048 -0.043 0.000 1.140 381 H CB -2.039 27.758 29.762 0.059 0.000 1.341 381 H HN 0.486 nan 8.280 nan 0.000 0.392 382 C N -0.288 118.989 119.300 -0.038 0.000 2.802 382 C HA 0.971 5.431 4.460 0.000 0.000 0.307 382 C C 0.581 175.408 174.990 -0.273 0.000 1.222 382 C CA 0.148 59.059 59.018 -0.178 0.000 1.580 382 C CB 2.275 29.523 27.740 -0.821 0.000 2.119 382 C HN 0.793 nan 8.230 nan 0.000 0.479 383 A N 0.755 123.469 122.820 -0.177 0.000 2.581 383 A HA 0.877 5.197 4.320 0.000 0.000 0.290 383 A C -2.108 175.374 177.584 -0.171 0.000 1.119 383 A CA -0.629 51.283 52.037 -0.208 0.000 0.670 383 A CB 0.566 19.601 19.000 0.059 0.000 1.280 383 A HN 0.859 nan 8.150 nan 0.000 0.425 384 W N -0.374 120.994 121.300 0.113 0.000 2.497 384 W HA 0.636 5.296 4.660 0.000 0.000 0.359 384 W C -0.141 176.375 176.519 -0.004 0.000 1.131 384 W CA -0.723 56.698 57.345 0.127 0.000 1.280 384 W CB 1.224 30.805 29.460 0.203 0.000 1.319 384 W HN 0.446 nan 8.180 nan 0.000 0.626 385 L N 2.686 124.041 121.223 0.219 0.000 2.298 385 L HA 0.500 4.840 4.340 0.000 0.000 0.284 385 L C -0.727 176.232 176.870 0.148 0.000 1.013 385 L CA -0.133 54.653 54.840 -0.089 0.000 0.824 385 L CB 0.695 42.344 42.059 -0.684 0.000 1.221 385 L HN 0.352 nan 8.230 nan 0.000 0.418 386 S N 5.452 121.257 115.700 0.176 0.000 2.509 386 S HA 0.797 5.267 4.470 0.000 0.000 0.297 386 S C -1.066 173.715 174.600 0.300 0.000 1.118 386 S CA -0.321 58.008 58.200 0.214 0.000 1.074 386 S CB 1.425 64.682 63.200 0.096 0.000 1.038 386 S HN 0.573 nan 8.310 nan 0.000 0.498 387 Y N -1.105 119.205 120.300 0.017 0.000 2.670 387 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 387 Y C -0.263 175.583 175.900 -0.091 0.000 1.185 387 Y CA -1.227 56.881 58.100 0.014 0.000 1.053 387 Y CB 0.026 38.547 38.460 0.102 0.000 1.298 387 Y HN 0.217 nan 8.280 nan 0.000 0.459 388 V N 0.148 119.989 119.914 -0.122 0.000 2.908 388 V HA 0.405 4.525 4.120 0.000 0.000 0.240 388 V C 0.475 176.640 176.094 0.118 0.000 1.117 388 V CA 0.566 62.724 62.300 -0.236 0.000 1.133 388 V CB 0.003 31.441 31.823 -0.642 0.000 0.857 388 V HN 0.730 nan 8.190 nan 0.000 0.478 389 R N -0.843 119.772 120.500 0.192 0.000 2.831 389 R HA 0.722 5.062 4.340 0.000 0.000 0.266 389 R C -1.026 175.212 176.300 -0.104 0.000 1.051 389 R CA 0.228 56.363 56.100 0.059 0.000 0.943 389 R CB 1.744 32.080 30.300 0.060 0.000 1.228 389 R HN 0.492 nan 8.270 nan 0.000 0.467 390 C N -1.769 117.140 119.300 -0.651 0.000 3.266 390 C HA 0.410 4.870 4.460 0.000 0.000 0.369 390 C C 1.632 175.884 174.990 -1.230 0.000 1.580 390 C CA -0.648 57.774 59.018 -0.993 0.000 1.165 390 C CB 0.614 28.104 27.740 -0.416 0.000 1.835 390 C HN 1.016 nan 8.230 nan 0.000 0.433 391 H N 0.448 119.120 119.070 -0.663 0.000 2.545 391 H HA 0.157 4.713 4.556 0.000 0.000 0.282 391 H C -0.261 175.063 175.328 -0.006 0.000 1.020 391 H CA 1.282 57.270 56.048 -0.101 0.000 1.243 391 H CB -0.489 29.305 29.762 0.054 0.000 1.377 391 H HN 0.662 nan 8.280 nan 0.000 0.581 392 D N 1.898 121.879 120.400 -0.698 0.000 2.440 392 D HA 0.072 4.712 4.640 0.000 0.000 0.258 392 D C 0.279 176.286 176.300 -0.489 0.000 1.092 392 D CA -0.479 53.221 54.000 -0.499 0.000 1.016 392 D CB 1.349 41.797 40.800 -0.586 0.000 1.141 392 D HN 0.350 nan 8.370 nan 0.000 0.552 393 D N -0.239 119.928 120.400 -0.389 0.000 2.357 393 D HA 0.082 4.722 4.640 0.000 0.000 0.242 393 D C 0.342 176.397 176.300 -0.409 0.000 1.153 393 D CA -0.191 53.592 54.000 -0.363 0.000 0.918 393 D CB 1.016 41.680 40.800 -0.228 0.000 1.181 393 D HN 0.260 nan 8.370 nan 0.000 0.435 394 I N 0.475 120.731 120.570 -0.523 0.000 2.452 394 I HA 0.159 4.329 4.170 0.000 0.000 0.287 394 I C 1.163 176.828 176.117 -0.753 0.000 1.079 394 I CA -0.210 60.648 61.300 -0.737 0.000 1.387 394 I CB 0.876 38.157 38.000 -1.199 0.000 1.404 394 I HN 0.412 nan 8.210 nan 0.000 0.522 395 G N 5.996 114.497 108.800 -0.499 0.000 2.546 395 G HA2 0.147 4.107 3.960 0.000 0.000 0.320 395 G HA3 0.147 4.107 3.960 0.000 0.000 0.320 395 G C 0.229 174.989 174.900 -0.235 0.000 0.984 395 G CA -0.444 44.485 45.100 -0.285 0.000 1.183 395 G HN 0.843 nan 8.290 nan 0.000 0.443 396 W N 1.687 123.018 121.300 0.052 0.000 2.425 396 W HA -0.071 4.589 4.660 0.000 0.000 0.277 396 W C 2.163 178.723 176.519 0.069 0.000 1.231 396 W CA 0.255 57.644 57.345 0.073 0.000 1.248 396 W CB -0.056 29.462 29.460 0.097 0.000 1.117 396 W HN 0.574 nan 8.180 nan 0.000 0.568 397 N N 0.616 119.462 118.700 0.244 0.000 2.348 397 N HA -0.190 4.550 4.740 0.000 0.000 0.185 397 N C 1.724 177.305 175.510 0.118 0.000 1.019 397 N CA 1.685 54.830 53.050 0.159 0.000 0.880 397 N CB -0.354 38.203 38.487 0.117 0.000 0.965 397 N HN 0.098 nan 8.380 nan 0.000 0.437 398 V N -1.188 118.788 119.914 0.104 0.000 2.720 398 V HA -0.106 4.014 4.120 0.000 0.000 0.256 398 V C 1.472 177.629 176.094 0.106 0.000 1.082 398 V CA 1.439 63.788 62.300 0.082 0.000 1.101 398 V CB -0.618 31.239 31.823 0.056 0.000 0.693 398 V HN 0.302 nan 8.190 nan 0.000 0.479 399 L N 0.010 121.323 121.223 0.150 0.000 2.611 399 L HA 0.119 4.459 4.340 0.000 0.000 0.229 399 L C 2.438 179.349 176.870 0.068 0.000 1.137 399 L CA 0.606 55.543 54.840 0.161 0.000 0.901 399 L CB -0.310 41.926 42.059 0.294 0.000 1.098 399 L HN 0.453 nan 8.230 nan 0.000 0.456 400 Q N 0.375 120.210 119.800 0.058 0.000 2.062 400 Q HA -0.335 4.005 4.340 0.000 0.000 0.209 400 Q C 2.075 178.053 176.000 -0.037 0.000 0.996 400 Q CA 2.487 58.289 55.803 -0.001 0.000 0.859 400 Q CB -0.056 28.702 28.738 0.033 0.000 0.920 400 Q HN 0.560 nan 8.270 nan 0.000 0.415 401 H N -0.086 118.945 119.070 -0.064 0.000 2.293 401 H HA -0.125 4.431 4.556 0.000 0.000 0.300 401 H C 1.706 176.963 175.328 -0.117 0.000 1.082 401 H CA 2.246 58.246 56.048 -0.080 0.000 1.308 401 H CB -0.011 29.718 29.762 -0.055 0.000 1.375 401 H HN 0.298 nan 8.280 nan 0.000 0.495 402 E N 0.362 120.450 120.200 -0.187 0.000 2.118 402 E HA -0.104 4.246 4.350 0.000 0.000 0.195 402 E C 2.298 178.679 176.600 -0.365 0.000 0.992 402 E CA 1.164 57.440 56.400 -0.206 0.000 0.804 402 E CB -0.620 29.123 29.700 0.071 0.000 0.741 402 E HN 0.612 nan 8.360 nan 0.000 0.458 403 A N -0.048 122.388 122.820 -0.641 0.000 2.070 403 A HA -0.193 4.128 4.320 0.000 0.000 0.220 403 A C 2.132 179.300 177.584 -0.693 0.000 1.159 403 A CA 1.203 52.462 52.037 -1.296 0.000 0.656 403 A CB -0.752 17.651 19.000 -0.994 0.000 0.800 403 A HN 0.398 nan 8.150 nan 0.000 0.453 404 C N -1.485 117.556 119.300 -0.433 0.000 2.481 404 C HA 0.434 4.895 4.460 0.000 0.000 0.275 404 C C 1.663 176.509 174.990 -0.240 0.000 1.419 404 C CA 0.253 59.098 59.018 -0.288 0.000 1.773 404 C CB -1.777 25.824 27.740 -0.231 0.000 1.862 404 C HN 1.120 nan 8.230 nan 0.000 0.530 405 G N 1.936 110.579 108.800 -0.261 0.000 2.829 405 G HA2 -0.014 3.946 3.960 0.000 0.000 0.628 405 G HA3 -0.014 3.946 3.960 0.000 0.000 0.628 405 G C -0.711 174.102 174.900 -0.145 0.000 1.412 405 G CA 0.027 45.041 45.100 -0.145 0.000 0.864 405 G HN 0.753 nan 8.290 nan 0.000 0.544 406 N N -2.278 116.379 118.700 -0.071 0.000 3.439 406 N HA 0.788 5.528 4.740 0.000 0.000 0.313 406 N C 1.388 176.902 175.510 0.008 0.000 1.598 406 N CA 0.712 53.737 53.050 -0.042 0.000 0.830 406 N CB 0.350 38.809 38.487 -0.047 0.000 1.849 406 N HN 1.707 nan 8.380 nan 0.000 0.598 407 A N -0.715 122.125 122.820 0.034 0.000 1.978 407 A HA 0.144 4.464 4.320 0.000 0.000 0.220 407 A C 1.889 179.506 177.584 0.054 0.000 1.170 407 A CA 2.505 54.568 52.037 0.043 0.000 0.636 407 A CB -1.388 17.645 19.000 0.054 0.000 0.810 407 A HN 0.858 nan 8.150 nan 0.000 0.448 408 A N -2.223 120.647 122.820 0.083 0.000 2.063 408 A HA 0.202 4.523 4.320 0.000 0.000 0.211 408 A C 1.257 178.892 177.584 0.084 0.000 1.177 408 A CA 0.623 52.718 52.037 0.096 0.000 0.759 408 A CB 0.027 19.128 19.000 0.167 0.000 0.857 408 A HN 0.485 nan 8.150 nan 0.000 0.468 409 Q N 0.823 120.670 119.800 0.078 0.000 2.341 409 Q HA 0.395 4.735 4.340 0.000 0.000 0.268 409 Q C -2.989 173.042 176.000 0.052 0.000 1.013 409 Q CA -2.327 53.517 55.803 0.070 0.000 0.798 409 Q CB 1.893 30.683 28.738 0.087 0.000 1.253 409 Q HN 0.107 nan 8.270 nan 0.000 0.457 410 P HA 0.163 nan 4.420 nan 0.000 0.271 410 P C -2.558 174.780 177.300 0.063 0.000 1.233 410 P CA -0.839 62.283 63.100 0.037 0.000 0.789 410 P CB 0.015 31.734 31.700 0.032 0.000 0.951 411 P HA 0.168 nan 4.420 nan 0.000 0.271 411 P C -0.934 176.410 177.300 0.073 0.000 1.233 411 P CA 0.276 63.350 63.100 -0.043 0.000 0.789 411 P CB 0.206 31.848 31.700 -0.097 0.000 0.951 412 F N -2.675 117.234 119.950 -0.068 0.000 2.643 412 F HA 0.669 5.196 4.527 0.000 0.000 0.314 412 F C -0.485 175.271 175.800 -0.072 0.000 1.096 412 F CA -1.329 56.628 58.000 -0.072 0.000 0.953 412 F CB 1.065 40.017 39.000 -0.079 0.000 1.345 412 F HN 0.094 nan 8.300 nan 0.000 0.468 413 S N 2.142 117.925 115.700 0.138 0.000 2.404 413 S HA 0.405 4.875 4.470 0.000 0.000 0.309 413 S C 0.680 175.302 174.600 0.036 0.000 1.076 413 S CA -0.701 57.508 58.200 0.015 0.000 1.095 413 S CB 0.096 63.289 63.200 -0.011 0.000 0.972 413 S HN 0.790 nan 8.310 nan 0.000 0.484 414 L N 4.519 125.733 121.223 -0.015 0.000 2.201 414 L HA 0.000 4.340 4.340 0.000 0.000 0.212 414 L C 2.808 179.596 176.870 -0.137 0.000 1.105 414 L CA 0.854 55.674 54.840 -0.034 0.000 0.775 414 L CB -0.299 41.775 42.059 0.025 0.000 0.913 414 L HN 0.648 nan 8.230 nan 0.000 0.440 415 R N 0.253 120.702 120.500 -0.085 0.000 2.075 415 R HA -0.167 4.174 4.340 0.000 0.000 0.232 415 R C 1.776 178.013 176.300 -0.105 0.000 1.126 415 R CA 1.711 57.759 56.100 -0.086 0.000 0.963 415 R CB -0.053 30.212 30.300 -0.059 0.000 0.858 415 R HN 0.298 nan 8.270 nan 0.000 0.435 416 D N -0.185 120.161 120.400 -0.089 0.000 2.144 416 D HA -0.117 4.523 4.640 0.000 0.000 0.199 416 D C 1.914 178.137 176.300 -0.128 0.000 0.984 416 D CA 0.964 54.916 54.000 -0.081 0.000 0.834 416 D CB -0.068 40.696 40.800 -0.061 0.000 0.955 416 D HN 0.063 nan 8.370 nan 0.000 0.465 417 V N 1.276 121.062 119.914 -0.215 0.000 2.343 417 V HA -0.220 3.900 4.120 0.000 0.000 0.247 417 V C 2.501 178.359 176.094 -0.393 0.000 1.051 417 V CA 1.806 63.898 62.300 -0.347 0.000 1.036 417 V CB -0.768 30.757 31.823 -0.496 0.000 0.654 417 V HN 0.183 nan 8.190 nan 0.000 0.451 418 A N -0.106 122.400 122.820 -0.523 0.000 1.930 418 A HA -0.198 4.122 4.320 0.000 0.000 0.217 418 A C 2.365 179.939 177.584 -0.016 0.000 1.175 418 A CA 1.665 53.521 52.037 -0.302 0.000 0.627 418 A CB -0.451 18.426 19.000 -0.205 0.000 0.815 418 A HN 0.510 nan 8.150 nan 0.000 0.443 419 R N -1.971 118.500 120.500 -0.049 0.000 2.092 419 R HA -0.062 4.279 4.340 0.000 0.000 0.231 419 R C 1.953 178.237 176.300 -0.026 0.000 1.119 419 R CA 1.442 57.532 56.100 -0.016 0.000 0.970 419 R CB -0.451 29.833 30.300 -0.027 0.000 0.864 419 R HN 0.603 nan 8.270 nan 0.000 0.440 420 F N 0.178 119.995 119.950 -0.222 0.000 2.102 420 F HA -0.231 4.296 4.527 0.000 0.000 0.298 420 F C 1.514 177.100 175.800 -0.356 0.000 1.105 420 F CA 1.468 59.260 58.000 -0.346 0.000 1.239 420 F CB -0.186 38.496 39.000 -0.529 0.000 0.991 420 F HN -0.062 nan 8.300 nan 0.000 0.474 421 Y N -0.046 120.283 120.300 0.049 0.000 2.509 421 Y HA 0.113 4.663 4.550 0.000 0.000 0.293 421 Y C 2.266 178.142 175.900 -0.039 0.000 1.133 421 Y CA 0.649 58.750 58.100 0.002 0.000 1.283 421 Y CB -0.932 37.636 38.460 0.179 0.000 1.001 421 Y HN 0.169 nan 8.280 nan 0.000 0.555 422 A N -0.417 122.454 122.820 0.085 0.000 2.275 422 A HA 0.097 4.417 4.320 0.000 0.000 0.212 422 A C 0.986 178.559 177.584 -0.018 0.000 1.201 422 A CA 0.550 52.630 52.037 0.071 0.000 0.843 422 A CB -0.622 18.437 19.000 0.098 0.000 0.873 422 A HN 0.444 nan 8.150 nan 0.000 0.492 423 N N -1.990 116.629 118.700 -0.135 0.000 2.727 423 N HA -0.234 4.506 4.740 0.000 0.000 0.249 423 N C 0.476 175.924 175.510 -0.103 0.000 1.048 423 N CA 1.056 53.995 53.050 -0.185 0.000 0.714 423 N CB -1.357 37.055 38.487 -0.126 0.000 0.959 423 N HN 0.563 nan 8.380 nan 0.000 0.544 424 A N -1.126 121.645 122.820 -0.082 0.000 2.308 424 A HA 0.409 4.729 4.320 0.000 0.000 0.217 424 A C 0.540 178.097 177.584 -0.045 0.000 1.216 424 A CA 0.624 52.636 52.037 -0.040 0.000 0.864 424 A CB 0.280 19.271 19.000 -0.015 0.000 0.902 424 A HN 0.822 nan 8.150 nan 0.000 0.499 425 V N -4.745 115.124 119.914 -0.075 0.000 2.656 425 V HA 0.521 4.641 4.120 0.000 0.000 0.307 425 V C -1.845 174.211 176.094 -0.063 0.000 1.051 425 V CA -2.002 60.267 62.300 -0.050 0.000 0.893 425 V CB 1.144 32.955 31.823 -0.021 0.000 0.999 425 V HN 0.098 nan 8.190 nan 0.000 0.426 426 P HA -0.223 nan 4.420 nan 0.000 0.227 426 P C 1.229 178.511 177.300 -0.030 0.000 0.791 426 P CA 2.564 65.651 63.100 -0.022 0.000 1.075 426 P CB -0.180 31.519 31.700 -0.002 0.000 0.728 427 G N -0.996 107.800 108.800 -0.006 0.000 3.414 427 G HA2 0.182 4.142 3.960 0.000 0.000 0.258 427 G HA3 0.182 4.142 3.960 0.000 0.000 0.258 427 G C 0.110 174.993 174.900 -0.029 0.000 1.348 427 G CA 0.021 45.127 45.100 0.010 0.000 1.319 427 G HN 0.388 nan 8.290 nan 0.000 0.555 428 S N -0.025 115.554 115.700 -0.201 0.000 2.562 428 S HA 0.339 4.809 4.470 0.000 0.000 0.275 428 S C 1.038 175.398 174.600 -0.399 0.000 1.281 428 S CA -0.764 57.078 58.200 -0.598 0.000 1.045 428 S CB 0.466 63.066 63.200 -0.999 0.000 0.962 428 S HN 0.490 nan 8.310 nan 0.000 0.503 429 Y N 2.514 122.662 120.300 -0.253 0.000 2.457 429 Y HA 0.629 5.179 4.550 0.000 0.000 0.263 429 Y C 0.489 176.334 175.900 -0.091 0.000 1.164 429 Y CA -0.609 57.444 58.100 -0.079 0.000 1.274 429 Y CB -0.897 37.595 38.460 0.053 0.000 1.097 429 Y HN 0.601 nan 8.280 nan 0.000 0.523 430 A N 1.721 124.360 122.820 -0.302 0.000 2.316 430 A HA 0.699 5.019 4.320 0.000 0.000 0.284 430 A C 0.449 178.008 177.584 -0.042 0.000 1.115 430 A CA -0.822 51.175 52.037 -0.067 0.000 0.812 430 A CB 0.530 19.396 19.000 -0.222 0.000 1.064 430 A HN 0.343 nan 8.150 nan 0.000 0.489 431 R N 1.742 122.285 120.500 0.071 0.000 2.795 431 R HA 0.247 4.587 4.340 0.000 0.000 0.320 431 R C 0.356 176.706 176.300 0.083 0.000 1.223 431 R CA 0.116 56.252 56.100 0.060 0.000 1.305 431 R CB 0.612 30.957 30.300 0.076 0.000 1.318 431 R HN 0.836 nan 8.270 nan 0.000 0.636 432 G N -0.059 108.796 108.800 0.091 0.000 2.557 432 G HA2 0.522 4.483 3.960 0.000 0.000 0.302 432 G HA3 0.522 4.483 3.960 0.000 0.000 0.302 432 G C -0.747 174.220 174.900 0.112 0.000 1.311 432 G CA -0.253 44.908 45.100 0.101 0.000 1.030 432 G HN 0.121 nan 8.290 nan 0.000 0.509 433 E N -0.687 119.592 120.200 0.132 0.000 2.275 433 E HA 0.355 4.705 4.350 0.000 0.000 0.270 433 E C -0.802 175.915 176.600 0.194 0.000 0.882 433 E CA -0.525 55.967 56.400 0.153 0.000 0.758 433 E CB 2.177 31.974 29.700 0.162 0.000 1.195 433 E HN 0.412 nan 8.360 nan 0.000 0.419 434 S N 2.671 118.497 115.700 0.209 0.000 2.549 434 S HA 0.111 4.581 4.470 0.000 0.000 0.286 434 S C -0.406 174.387 174.600 0.323 0.000 1.314 434 S CA -0.274 58.086 58.200 0.267 0.000 1.062 434 S CB 0.139 63.481 63.200 0.237 0.000 0.865 434 S HN 0.390 nan 8.310 nan 0.000 0.498 442 V N 2.134 122.135 119.914 0.146 0.000 2.508 442 V HA 0.268 4.388 4.120 0.000 0.000 0.281 442 V C 0.309 176.601 176.094 0.330 0.000 1.041 442 V CA -0.229 62.174 62.300 0.172 0.000 1.016 442 V CB 0.294 32.220 31.823 0.172 0.000 0.984 442 V HN 0.540 nan 8.190 nan 0.000 0.478 443 H N 2.657 121.822 119.070 0.158 0.000 2.815 443 H HA 0.282 4.838 4.556 0.000 0.000 0.350 443 H C 0.930 176.436 175.328 0.296 0.000 1.080 443 H CA -0.068 56.081 56.048 0.170 0.000 1.433 443 H CB 1.009 30.843 29.762 0.119 0.000 1.432 443 H HN 0.848 nan 8.280 nan 0.000 0.592 444 G N 1.474 110.483 108.800 0.349 0.000 2.684 444 G HA2 0.165 4.125 3.960 0.000 0.000 0.255 444 G HA3 0.165 4.125 3.960 0.000 0.000 0.255 444 G C -0.471 174.610 174.900 0.302 0.000 1.219 444 G CA -0.434 44.811 45.100 0.242 0.000 0.901 444 G HN 0.543 nan 8.290 nan 0.000 0.548 445 T N 1.480 116.108 114.554 0.124 0.000 2.812 445 T HA 0.374 4.724 4.350 0.000 0.000 0.282 445 T C -0.194 174.483 174.700 -0.040 0.000 0.990 445 T CA -0.660 61.533 62.100 0.155 0.000 0.960 445 T CB 1.230 70.270 68.868 0.287 0.000 0.948 445 T HN 0.420 nan 8.240 nan 0.000 0.438 446 N N 1.319 120.043 118.700 0.040 0.000 2.489 446 N HA 0.816 5.556 4.740 0.000 0.000 0.284 446 N C 0.453 176.022 175.510 0.099 0.000 1.158 446 N CA 0.002 53.094 53.050 0.070 0.000 0.965 446 N CB 1.765 40.261 38.487 0.015 0.000 1.195 446 N HN 1.057 nan 8.380 nan 0.000 0.506 450 A N 0.568 123.554 122.820 0.277 0.000 1.972 450 A HA 0.316 4.636 4.320 0.000 0.000 0.219 450 A C 2.289 179.995 177.584 0.204 0.000 1.169 450 A CA 2.445 54.616 52.037 0.222 0.000 0.635 450 A CB -0.803 18.297 19.000 0.166 0.000 0.810 450 A HN 1.588 nan 8.150 nan 0.000 0.446 451 A N -0.356 122.573 122.820 0.181 0.000 1.929 451 A HA 0.085 4.405 4.320 0.000 0.000 0.216 451 A C 2.093 179.795 177.584 0.196 0.000 1.176 451 A CA 1.282 53.415 52.037 0.159 0.000 0.628 451 A CB -0.458 18.619 19.000 0.128 0.000 0.816 451 A HN 0.454 nan 8.150 nan 0.000 0.444 452 L N -1.027 120.304 121.223 0.180 0.000 2.179 452 L HA -0.047 4.293 4.340 0.000 0.000 0.208 452 L C 2.770 180.008 176.870 0.614 0.000 1.096 452 L CA 0.839 55.819 54.840 0.233 0.000 0.779 452 L CB -0.355 41.467 42.059 -0.394 0.000 0.922 452 L HN 0.402 nan 8.230 nan 0.000 0.443 453 A N -0.515 122.651 122.820 0.576 0.000 2.208 453 A HA 0.275 4.595 4.320 0.000 0.000 0.209 453 A C 1.786 179.504 177.584 0.225 0.000 1.161 453 A CA 0.937 53.290 52.037 0.527 0.000 0.782 453 A CB -0.273 18.935 19.000 0.346 0.000 0.816 453 A HN 0.521 nan 8.150 nan 0.000 0.477 454 G N -1.044 107.931 108.800 0.293 0.000 2.201 454 G HA2 -0.231 3.729 3.960 0.000 0.000 0.212 454 G HA3 -0.231 3.729 3.960 0.000 0.000 0.212 454 G C 0.887 175.834 174.900 0.078 0.000 0.994 454 G CA 0.268 45.459 45.100 0.153 0.000 0.644 454 G HN 0.348 nan 8.290 nan 0.000 0.508 455 I N 0.633 121.258 120.570 0.091 0.000 2.252 455 I HA -0.169 4.002 4.170 0.000 0.000 0.245 455 I C 2.682 178.848 176.117 0.082 0.000 1.102 455 I CA 2.067 63.411 61.300 0.072 0.000 1.385 455 I CB -0.197 37.854 38.000 0.085 0.000 1.064 455 I HN 0.441 nan 8.210 nan 0.000 0.414 456 Q N 1.186 121.048 119.800 0.104 0.000 2.020 456 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 456 Q C 2.360 178.408 176.000 0.081 0.000 0.982 456 Q CA 2.026 57.884 55.803 0.091 0.000 0.838 456 Q CB -0.129 28.669 28.738 0.101 0.000 0.899 456 Q HN 0.512 nan 8.270 nan 0.000 0.423 457 A N 0.748 123.624 122.820 0.094 0.000 1.940 457 A HA -0.159 4.161 4.320 0.000 0.000 0.219 457 A C 2.260 179.885 177.584 0.069 0.000 1.176 457 A CA 1.814 53.901 52.037 0.084 0.000 0.631 457 A CB -0.991 18.075 19.000 0.110 0.000 0.814 457 A HN 0.578 nan 8.150 nan 0.000 0.446 458 A N -0.995 121.864 122.820 0.064 0.000 1.969 458 A HA -0.154 4.166 4.320 0.000 0.000 0.218 458 A C 2.098 179.708 177.584 0.043 0.000 1.169 458 A CA 1.516 53.582 52.037 0.048 0.000 0.635 458 A CB -0.418 18.602 19.000 0.033 0.000 0.810 458 A HN 0.673 nan 8.150 nan 0.000 0.445 459 Q N -0.578 119.250 119.800 0.047 0.000 2.137 459 Q HA -0.113 4.227 4.340 0.000 0.000 0.198 459 Q C 1.725 177.749 176.000 0.040 0.000 0.960 459 Q CA 1.289 57.117 55.803 0.042 0.000 0.847 459 Q CB -0.107 28.658 28.738 0.045 0.000 0.915 459 Q HN 0.756 nan 8.270 nan 0.000 0.448 460 E N 0.375 120.601 120.200 0.044 0.000 2.268 460 E HA -0.089 4.262 4.350 0.000 0.000 0.195 460 E C 1.292 177.913 176.600 0.035 0.000 0.995 460 E CA 0.830 57.253 56.400 0.039 0.000 0.836 460 E CB 0.103 29.828 29.700 0.042 0.000 0.763 460 E HN 0.253 nan 8.360 nan 0.000 0.491 461 A N 0.332 123.174 122.820 0.037 0.000 2.348 461 A HA 0.356 4.676 4.320 0.000 0.000 0.224 461 A C 1.607 179.210 177.584 0.031 0.000 1.227 461 A CA 0.468 52.525 52.037 0.035 0.000 0.885 461 A CB 0.017 19.041 19.000 0.039 0.000 0.933 461 A HN 0.244 nan 8.150 nan 0.000 0.506 462 G N 0.371 109.190 108.800 0.031 0.000 2.283 462 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 462 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 462 G C -0.081 174.836 174.900 0.028 0.000 1.029 462 G CA 0.520 45.636 45.100 0.028 0.000 0.840 462 G HN 0.561 nan 8.290 nan 0.000 0.505 463 D N 0.216 120.634 120.400 0.031 0.000 2.441 463 D HA 0.596 5.236 4.640 0.000 0.000 0.221 463 D C 1.475 177.792 176.300 0.028 0.000 1.156 463 D CA 0.311 54.329 54.000 0.030 0.000 0.896 463 D CB 0.605 41.426 40.800 0.036 0.000 1.028 463 D HN 0.279 nan 8.370 nan 0.000 0.509 464 A N 3.826 126.661 122.820 0.025 0.000 1.933 464 A HA -0.075 4.245 4.320 0.000 0.000 0.218 464 A C 2.070 179.667 177.584 0.022 0.000 1.175 464 A CA 1.748 53.798 52.037 0.023 0.000 0.628 464 A CB -0.275 18.737 19.000 0.021 0.000 0.814 464 A HN 0.601 nan 8.150 nan 0.000 0.444 465 A N -0.207 122.628 122.820 0.024 0.000 1.872 465 A HA 0.240 4.560 4.320 0.000 0.000 0.214 465 A C 2.484 180.082 177.584 0.024 0.000 1.187 465 A CA 1.821 53.873 52.037 0.025 0.000 0.614 465 A CB -0.982 18.035 19.000 0.029 0.000 0.826 465 A HN 1.043 nan 8.150 nan 0.000 0.442 466 A N -0.700 122.135 122.820 0.025 0.000 2.019 466 A HA 0.017 4.337 4.320 0.000 0.000 0.219 466 A C 2.081 179.662 177.584 -0.005 0.000 1.164 466 A CA 1.639 53.686 52.037 0.016 0.000 0.644 466 A CB -0.498 18.521 19.000 0.031 0.000 0.805 466 A HN 0.595 nan 8.150 nan 0.000 0.449 467 L N -0.275 120.953 121.223 0.008 0.000 2.027 467 L HA 0.012 4.352 4.340 0.000 0.000 0.206 467 L C 2.670 179.539 176.870 -0.002 0.000 1.074 467 L CA 2.123 56.967 54.840 0.006 0.000 0.745 467 L CB -0.927 41.144 42.059 0.019 0.000 0.898 467 L HN 0.317 nan 8.230 nan 0.000 0.433 468 A N -1.074 121.749 122.820 0.006 0.000 1.908 468 A HA -0.166 4.154 4.320 0.000 0.000 0.218 468 A C 2.255 179.837 177.584 -0.003 0.000 1.181 468 A CA 2.108 54.149 52.037 0.007 0.000 0.627 468 A CB -1.123 17.886 19.000 0.015 0.000 0.818 468 A HN 0.323 nan 8.150 nan 0.000 0.445 469 V N -0.296 119.614 119.914 -0.006 0.000 2.427 469 V HA -0.210 3.910 4.120 0.000 0.000 0.248 469 V C 3.019 179.036 176.094 -0.129 0.000 1.051 469 V CA 1.786 64.078 62.300 -0.013 0.000 1.048 469 V CB -1.180 30.656 31.823 0.022 0.000 0.666 469 V HN 0.617 nan 8.190 nan 0.000 0.456 470 A N -0.144 122.592 122.820 -0.139 0.000 1.933 470 A HA -0.148 4.172 4.320 0.000 0.000 0.218 470 A C 2.389 179.913 177.584 -0.100 0.000 1.175 470 A CA 1.956 53.887 52.037 -0.178 0.000 0.628 470 A CB -0.625 18.315 19.000 -0.100 0.000 0.814 470 A HN 0.339 nan 8.150 nan 0.000 0.444 471 V N 0.662 120.548 119.914 -0.046 0.000 2.343 471 V HA -0.251 3.869 4.120 0.000 0.000 0.247 471 V C 2.162 178.239 176.094 -0.030 0.000 1.051 471 V CA 2.274 64.567 62.300 -0.012 0.000 1.036 471 V CB -0.789 31.037 31.823 0.005 0.000 0.654 471 V HN 0.501 nan 8.190 nan 0.000 0.451 472 D N -0.081 120.291 120.400 -0.046 0.000 2.123 472 D HA -0.149 4.491 4.640 0.000 0.000 0.196 472 D C 2.412 178.653 176.300 -0.098 0.000 0.992 472 D CA 1.216 55.194 54.000 -0.037 0.000 0.833 472 D CB -0.247 40.570 40.800 0.028 0.000 0.954 472 D HN 0.423 nan 8.370 nan 0.000 0.455 473 R N 0.027 120.386 120.500 -0.236 0.000 2.081 473 R HA -0.108 4.232 4.340 0.000 0.000 0.235 473 R C 2.348 178.550 176.300 -0.162 0.000 1.131 473 R CA 0.558 56.460 56.100 -0.330 0.000 0.960 473 R CB -0.540 29.473 30.300 -0.478 0.000 0.856 473 R HN 0.156 nan 8.270 nan 0.000 0.436 474 L N 0.939 122.128 121.223 -0.057 0.000 2.017 474 L HA -0.141 4.199 4.340 0.000 0.000 0.208 474 L C 2.131 179.055 176.870 0.089 0.000 1.073 474 L CA 1.581 56.451 54.840 0.049 0.000 0.745 474 L CB -0.346 41.791 42.059 0.130 0.000 0.894 474 L HN -0.102 nan 8.230 nan 0.000 0.432 475 V N -0.409 119.537 119.914 0.054 0.000 2.407 475 V HA -0.259 3.861 4.120 0.000 0.000 0.248 475 V C 2.512 178.641 176.094 0.059 0.000 1.055 475 V CA 1.613 63.955 62.300 0.069 0.000 1.049 475 V CB -0.728 31.100 31.823 0.008 0.000 0.662 475 V HN 0.553 nan 8.190 nan 0.000 0.455 476 L N -0.382 120.834 121.223 -0.013 0.000 2.012 476 L HA -0.172 4.168 4.340 0.000 0.000 0.210 476 L C 2.183 179.051 176.870 -0.003 0.000 1.073 476 L CA 2.046 56.871 54.840 -0.025 0.000 0.748 476 L CB -0.648 41.301 42.059 -0.183 0.000 0.891 476 L HN 0.164 nan 8.230 nan 0.000 0.431 477 L N -1.515 119.636 121.223 -0.121 0.000 2.083 477 L HA -0.194 4.146 4.340 0.000 0.000 0.209 477 L C 2.327 179.084 176.870 -0.188 0.000 1.083 477 L CA 1.695 56.392 54.840 -0.237 0.000 0.752 477 L CB -1.166 40.548 42.059 -0.576 0.000 0.899 477 L HN 0.303 nan 8.230 nan 0.000 0.433 478 Y N -0.913 119.370 120.300 -0.028 0.000 2.314 478 Y HA -0.086 4.464 4.550 0.000 0.000 0.293 478 Y C 2.399 178.365 175.900 0.110 0.000 1.129 478 Y CA 0.930 59.051 58.100 0.036 0.000 1.201 478 Y CB -0.564 37.917 38.460 0.035 0.000 0.999 478 Y HN 0.153 nan 8.280 nan 0.000 0.541 479 A N 0.116 123.098 122.820 0.271 0.000 1.933 479 A HA -0.179 4.141 4.320 0.000 0.000 0.218 479 A C 2.237 180.120 177.584 0.497 0.000 1.175 479 A CA 1.704 53.957 52.037 0.359 0.000 0.628 479 A CB -0.969 18.198 19.000 0.280 0.000 0.814 479 A HN 0.475 nan 8.150 nan 0.000 0.444 480 I N -0.414 120.370 120.570 0.357 0.000 2.179 480 I HA -0.287 3.883 4.170 0.000 0.000 0.242 480 I C 3.000 179.228 176.117 0.185 0.000 1.088 480 I CA 1.117 62.587 61.300 0.284 0.000 1.357 480 I CB -0.412 37.657 38.000 0.115 0.000 1.051 480 I HN 0.375 nan 8.210 nan 0.000 0.409 481 A N 0.909 123.795 122.820 0.110 0.000 1.902 481 A HA -0.158 4.162 4.320 0.000 0.000 0.217 481 A C 2.241 179.925 177.584 0.167 0.000 1.181 481 A CA 1.375 53.464 52.037 0.087 0.000 0.623 481 A CB -0.861 18.170 19.000 0.052 0.000 0.818 481 A HN 0.411 nan 8.150 nan 0.000 0.443 482 L N -0.895 120.486 121.223 0.263 0.000 2.362 482 L HA 0.001 4.342 4.340 0.000 0.000 0.219 482 L C 1.701 178.703 176.870 0.220 0.000 1.134 482 L CA 0.308 55.322 54.840 0.290 0.000 0.807 482 L CB -0.617 41.685 42.059 0.404 0.000 0.927 482 L HN 0.455 nan 8.230 nan 0.000 0.447 486 G N 0.306 109.110 108.800 0.008 0.000 2.240 486 G HA2 0.231 4.191 3.960 0.000 0.000 0.199 486 G HA3 0.231 4.191 3.960 0.000 0.000 0.199 486 G C -1.897 172.980 174.900 -0.037 0.000 1.342 486 G CA -0.113 44.995 45.100 0.014 0.000 1.145 486 G HN 0.555 nan 8.290 nan 0.000 0.477 487 V N 3.324 123.196 119.914 -0.070 0.000 2.334 487 V HA 0.549 4.669 4.120 0.000 0.000 0.281 487 V C -2.004 174.055 176.094 -0.058 0.000 1.016 487 V CA -1.142 61.068 62.300 -0.150 0.000 0.832 487 V CB 1.618 33.173 31.823 -0.447 0.000 0.999 487 V HN 0.589 nan 8.190 nan 0.000 0.439 488 P HA 0.258 nan 4.420 nan 0.000 0.282 488 P C -0.903 176.488 177.300 0.153 0.000 1.262 488 P CA -0.380 62.792 63.100 0.119 0.000 0.773 488 P CB 1.838 33.631 31.700 0.154 0.000 0.879 489 L N 5.678 127.026 121.223 0.208 0.000 2.276 489 L HA 0.400 4.740 4.340 0.000 0.000 0.286 489 L C -0.066 177.023 176.870 0.364 0.000 1.024 489 L CA -0.703 54.289 54.840 0.253 0.000 0.826 489 L CB 0.481 42.664 42.059 0.208 0.000 1.211 489 L HN 0.287 nan 8.230 nan 0.000 0.422 490 I N 4.955 125.727 120.570 0.337 0.000 2.474 490 I HA 0.120 4.290 4.170 0.000 0.000 0.287 490 I C -0.310 175.898 176.117 0.153 0.000 1.048 490 I CA -0.343 61.152 61.300 0.324 0.000 1.383 490 I CB 0.774 38.882 38.000 0.181 0.000 1.412 490 I HN 0.515 nan 8.210 nan 0.000 0.531 494 D N 1.737 122.174 120.400 0.061 0.000 2.178 494 D HA -0.048 4.592 4.640 0.000 0.000 0.202 494 D C 2.422 178.747 176.300 0.041 0.000 0.974 494 D CA 1.258 55.330 54.000 0.120 0.000 0.841 494 D CB 0.096 41.042 40.800 0.244 0.000 0.953 494 D HN 0.615 nan 8.370 nan 0.000 0.478 495 E N 0.656 120.880 120.200 0.040 0.000 2.478 495 E HA -0.125 4.225 4.350 0.000 0.000 0.198 495 E C 1.337 178.034 176.600 0.162 0.000 1.046 495 E CA 0.493 56.912 56.400 0.032 0.000 0.870 495 E CB -0.202 29.543 29.700 0.075 0.000 0.818 495 E HN 0.345 nan 8.360 nan 0.000 0.527 496 L N 0.168 121.483 121.223 0.154 0.000 3.016 496 L HA 0.452 4.792 4.340 0.000 0.000 0.267 496 L C 0.730 177.656 176.870 0.094 0.000 1.182 496 L CA 0.018 54.941 54.840 0.139 0.000 0.997 496 L CB 0.153 42.277 42.059 0.108 0.000 1.354 496 L HN 0.145 nan 8.230 nan 0.000 0.569 500 N N 1.775 120.546 118.700 0.118 0.000 2.374 500 N HA 0.352 5.092 4.740 0.000 0.000 0.241 500 N C -0.793 174.791 175.510 0.122 0.000 1.262 500 N CA 0.573 53.702 53.050 0.131 0.000 0.880 500 N CB 0.239 38.806 38.487 0.134 0.000 1.105 500 N HN 0.979 nan 8.380 nan 0.000 0.438 501 D N 0.525 121.012 120.400 0.145 0.000 2.446 501 D HA 0.260 4.900 4.640 0.000 0.000 0.251 501 D C -2.020 174.416 176.300 0.226 0.000 1.137 501 D CA -1.922 52.166 54.000 0.145 0.000 0.890 501 D CB 1.180 42.059 40.800 0.132 0.000 1.071 501 D HN 0.249 nan 8.370 nan 0.000 0.528 502 P HA 0.119 nan 4.420 nan 0.000 0.249 502 P C 1.305 178.613 177.300 0.013 0.000 1.229 502 P CA -0.003 63.179 63.100 0.136 0.000 0.788 502 P CB 0.417 32.151 31.700 0.057 0.000 1.072 503 G N 1.332 110.175 108.800 0.071 0.000 2.450 503 G HA2 -0.309 3.651 3.960 0.000 0.000 0.220 503 G HA3 -0.309 3.651 3.960 0.000 0.000 0.220 503 G C 1.435 176.313 174.900 -0.036 0.000 1.130 503 G CA 0.834 45.936 45.100 0.002 0.000 0.760 503 G HN 0.366 nan 8.290 nan 0.000 0.557 504 Y N 0.401 120.677 120.300 -0.040 0.000 2.403 504 Y HA 0.063 4.613 4.550 0.000 0.000 0.291 504 Y C 2.533 178.422 175.900 -0.017 0.000 1.143 504 Y CA 0.925 58.982 58.100 -0.071 0.000 1.257 504 Y CB -0.568 37.900 38.460 0.012 0.000 0.984 504 Y HN 0.139 nan 8.280 nan 0.000 0.550 505 R N 0.758 120.740 120.500 -0.863 0.000 2.073 505 R HA -0.113 4.227 4.340 0.000 0.000 0.234 505 R C 0.047 176.193 176.300 -0.257 0.000 1.134 505 R CA 1.668 57.380 56.100 -0.647 0.000 0.952 505 R CB -0.200 29.780 30.300 -0.534 0.000 0.850 505 R HN 0.366 nan 8.270 nan 0.000 0.433 506 D N 1.144 121.434 120.400 -0.184 0.000 2.741 506 D HA 0.080 4.720 4.640 0.000 0.000 0.233 506 D C -0.862 175.388 176.300 -0.083 0.000 1.160 506 D CA 0.317 54.258 54.000 -0.100 0.000 1.003 506 D CB 0.274 41.029 40.800 -0.076 0.000 1.064 506 D HN 0.238 nan 8.370 nan 0.000 0.503 507 D N 0.443 120.800 120.400 -0.072 0.000 2.753 507 D HA 0.175 4.815 4.640 0.000 0.000 0.224 507 D C -2.059 174.232 176.300 -0.015 0.000 1.213 507 D CA -1.648 52.310 54.000 -0.069 0.000 0.833 507 D CB 2.962 43.690 40.800 -0.120 0.000 1.607 507 D HN -0.202 nan 8.370 nan 0.000 0.463 508 P HA -0.088 nan 4.420 nan 0.000 0.199 508 P C 0.246 177.664 177.300 0.196 0.000 1.085 508 P CA 1.443 64.617 63.100 0.124 0.000 0.924 508 P CB -0.071 31.775 31.700 0.245 0.000 0.736 509 H N -1.091 118.015 119.070 0.059 0.000 2.483 509 H HA 0.451 5.008 4.556 0.000 0.000 0.224 509 H C 0.560 176.060 175.328 0.288 0.000 1.690 509 H CA -0.149 55.988 56.048 0.148 0.000 1.217 509 H CB -0.165 29.638 29.762 0.068 0.000 1.619 509 H HN 0.177 nan 8.280 nan 0.000 0.528 510 R N -0.087 120.564 120.500 0.253 0.000 2.599 510 R HA -0.011 4.329 4.340 0.000 0.000 0.248 510 R C 1.462 177.963 176.300 0.335 0.000 0.970 510 R CA 0.066 56.246 56.100 0.135 0.000 1.188 510 R CB 0.399 30.552 30.300 -0.246 0.000 1.736 510 R HN 0.306 nan 8.270 nan 0.000 0.504 511 Q N 1.088 121.084 119.800 0.326 0.000 2.437 511 Q HA -0.122 4.218 4.340 0.000 0.000 0.210 511 Q C 1.450 177.672 176.000 0.370 0.000 0.972 511 Q CA 1.309 57.290 55.803 0.297 0.000 0.903 511 Q CB 0.175 28.986 28.738 0.122 0.000 0.967 511 Q HN 0.498 nan 8.270 nan 0.000 0.486 512 H N -1.691 117.557 119.070 0.297 0.000 2.525 512 H HA 0.067 4.623 4.556 0.000 0.000 0.275 512 H C -0.019 175.491 175.328 0.304 0.000 0.984 512 H CA 0.347 56.552 56.048 0.260 0.000 1.264 512 H CB 0.240 30.126 29.762 0.206 0.000 1.432 512 H HN 0.049 nan 8.280 nan 0.000 0.549 513 E N 1.762 121.803 120.200 -0.265 0.000 2.042 513 E HA 0.269 4.619 4.350 0.000 0.000 0.260 513 E C 1.258 177.766 176.600 -0.154 0.000 0.975 513 E CA -0.309 55.992 56.400 -0.165 0.000 0.799 513 E CB 0.457 29.968 29.700 -0.315 0.000 1.131 513 E HN 0.422 nan 8.360 nan 0.000 0.423 514 G N 3.962 112.764 108.800 0.003 0.000 2.479 514 G HA2 -0.278 3.682 3.960 0.000 0.000 0.220 514 G HA3 -0.278 3.682 3.960 0.000 0.000 0.220 514 G C 1.291 175.794 174.900 -0.662 0.000 1.115 514 G CA 0.342 45.328 45.100 -0.189 0.000 0.757 514 G HN 0.486 nan 8.290 nan 0.000 0.560 515 R N -0.891 119.103 120.500 -0.842 0.000 2.241 515 R HA -0.062 4.278 4.340 0.000 0.000 0.224 515 R C 2.015 177.607 176.300 -1.180 0.000 1.101 515 R CA 0.746 56.186 56.100 -1.099 0.000 0.995 515 R CB -0.268 29.464 30.300 -0.947 0.000 0.870 515 R HN 0.592 nan 8.270 nan 0.000 0.463 516 W N 0.427 121.233 121.300 -0.824 0.000 2.468 516 W HA -0.131 4.529 4.660 0.000 0.000 0.262 516 W C 1.795 177.968 176.519 -0.577 0.000 1.241 516 W CA -0.133 56.825 57.345 -0.646 0.000 1.232 516 W CB -0.143 28.979 29.460 -0.564 0.000 1.124 516 W HN 0.123 nan 8.180 nan 0.000 0.597 517 L N 0.843 121.723 121.223 -0.572 0.000 2.127 517 L HA -0.227 4.113 4.340 0.000 0.000 0.211 517 L C 2.074 178.932 176.870 -0.021 0.000 1.089 517 L CA 1.948 56.698 54.840 -0.150 0.000 0.757 517 L CB -0.720 41.297 42.059 -0.070 0.000 0.899 517 L HN 0.271 nan 8.230 nan 0.000 0.434 518 H N -2.175 116.906 119.070 0.018 0.000 2.472 518 H HA 0.388 4.944 4.556 0.000 0.000 0.287 518 H C -0.022 175.454 175.328 0.247 0.000 1.112 518 H CA -0.421 55.703 56.048 0.127 0.000 1.021 518 H CB -0.088 29.735 29.762 0.103 0.000 1.635 518 H HN 0.312 nan 8.280 nan 0.000 0.559 519 R N 2.063 122.684 120.500 0.201 0.000 2.881 519 R HA 0.244 4.584 4.340 0.000 0.000 0.331 519 R C -2.731 173.725 176.300 0.260 0.000 1.207 519 R CA -1.419 54.883 56.100 0.338 0.000 1.265 519 R CB 1.038 31.546 30.300 0.347 0.000 1.351 519 R HN 0.341 nan 8.270 nan 0.000 0.613 520 P HA 0.132 nan 4.420 nan 0.000 0.274 520 P C -0.217 177.125 177.300 0.071 0.000 1.246 520 P CA -0.098 63.061 63.100 0.098 0.000 0.795 520 P CB 1.031 32.772 31.700 0.068 0.000 1.006 524 W N 1.726 122.956 121.300 -0.117 0.000 2.595 524 W HA -0.058 4.602 4.660 0.000 0.000 0.257 524 W C 2.077 178.542 176.519 -0.091 0.000 1.267 524 W CA 0.252 57.508 57.345 -0.149 0.000 1.300 524 W CB 0.347 29.702 29.460 -0.175 0.000 1.120 524 W HN 0.389 nan 8.180 nan 0.000 0.618 525 Q N -0.312 119.552 119.800 0.106 0.000 2.096 525 Q HA -0.112 4.229 4.340 0.000 0.000 0.197 525 Q C 2.141 178.162 176.000 0.035 0.000 0.964 525 Q CA 0.953 56.798 55.803 0.071 0.000 0.838 525 Q CB -0.900 27.866 28.738 0.046 0.000 0.906 525 Q HN 0.198 nan 8.270 nan 0.000 0.444 526 L N 0.272 121.493 121.223 -0.004 0.000 2.093 526 L HA -0.028 4.313 4.340 0.000 0.000 0.208 526 L C 1.978 178.831 176.870 -0.028 0.000 1.085 526 L CA 1.730 56.559 54.840 -0.018 0.000 0.755 526 L CB -0.928 41.109 42.059 -0.037 0.000 0.904 526 L HN 0.212 nan 8.230 nan 0.000 0.435 527 A N -0.792 121.999 122.820 -0.050 0.000 1.940 527 A HA -0.149 4.171 4.320 0.000 0.000 0.219 527 A C 2.390 179.973 177.584 -0.002 0.000 1.176 527 A CA 1.693 53.717 52.037 -0.022 0.000 0.631 527 A CB -0.944 17.993 19.000 -0.106 0.000 0.814 527 A HN 0.474 nan 8.150 nan 0.000 0.446 528 A N -1.090 121.754 122.820 0.040 0.000 2.066 528 A HA -0.110 4.210 4.320 0.000 0.000 0.218 528 A C 2.017 179.579 177.584 -0.037 0.000 1.157 528 A CA 1.447 53.508 52.037 0.040 0.000 0.670 528 A CB -0.424 18.650 19.000 0.123 0.000 0.804 528 A HN 0.644 nan 8.150 nan 0.000 0.453 529 Q N 0.341 120.116 119.800 -0.041 0.000 2.515 529 Q HA -0.107 4.233 4.340 0.000 0.000 0.212 529 Q C 1.859 177.798 176.000 -0.101 0.000 0.970 529 Q CA 0.794 56.577 55.803 -0.033 0.000 0.941 529 Q CB -0.120 28.615 28.738 -0.005 0.000 0.998 529 Q HN 0.807 nan 8.270 nan 0.000 0.518 530 R N -1.314 119.028 120.500 -0.264 0.000 2.235 530 R HA -0.100 4.240 4.340 0.000 0.000 0.213 530 R C 0.756 176.850 176.300 -0.345 0.000 1.059 530 R CA 0.990 56.865 56.100 -0.375 0.000 0.997 530 R CB -0.265 29.587 30.300 -0.746 0.000 0.884 530 R HN 0.378 nan 8.270 nan 0.000 0.462 531 H N 0.462 119.475 119.070 -0.096 0.000 2.555 531 H HA 0.050 4.606 4.556 0.000 0.000 0.269 531 H C -0.270 175.043 175.328 -0.025 0.000 0.988 531 H CA 0.420 56.432 56.048 -0.060 0.000 1.178 531 H CB -0.020 29.719 29.762 -0.037 0.000 1.373 531 H HN 0.235 nan 8.280 nan 0.000 0.588 532 D N 0.558 120.994 120.400 0.060 0.000 2.467 532 D HA 0.260 4.900 4.640 0.000 0.000 0.220 532 D C 1.124 177.444 176.300 0.034 0.000 1.103 532 D CA -0.260 53.769 54.000 0.048 0.000 0.886 532 D CB 0.771 41.594 40.800 0.039 0.000 1.025 532 D HN 0.102 nan 8.370 nan 0.000 0.514 533 A N 4.213 127.058 122.820 0.041 0.000 2.076 533 A HA -0.183 4.137 4.320 0.000 0.000 0.220 533 A C 1.919 179.524 177.584 0.035 0.000 1.160 533 A CA 1.306 53.367 52.037 0.041 0.000 0.653 533 A CB -0.159 18.866 19.000 0.041 0.000 0.801 533 A HN 0.417 nan 8.150 nan 0.000 0.455 534 K N 0.819 121.238 120.400 0.031 0.000 2.361 534 K HA 0.042 4.362 4.320 0.000 0.000 0.196 534 K C 0.997 177.614 176.600 0.027 0.000 1.039 534 K CA 0.761 57.065 56.287 0.027 0.000 1.001 534 K CB -0.277 32.237 32.500 0.024 0.000 0.795 534 K HN 0.508 nan 8.250 nan 0.000 0.495 535 S N -0.323 115.394 115.700 0.028 0.000 2.632 535 S HA 0.089 4.559 4.470 0.000 0.000 0.267 535 S C 1.179 175.799 174.600 0.032 0.000 1.276 535 S CA -0.573 57.643 58.200 0.027 0.000 0.998 535 S CB 0.863 64.077 63.200 0.023 0.000 0.953 535 S HN 0.154 nan 8.310 nan 0.000 0.547 536 L N 1.837 123.080 121.223 0.034 0.000 1.994 536 L HA -0.004 4.336 4.340 0.000 0.000 0.208 536 L C 2.491 179.392 176.870 0.051 0.000 1.071 536 L CA 2.131 56.995 54.840 0.040 0.000 0.745 536 L CB -1.472 40.611 42.059 0.040 0.000 0.892 536 L HN 0.851 nan 8.230 nan 0.000 0.431 537 S N -0.024 115.706 115.700 0.048 0.000 2.370 537 S HA -0.135 4.335 4.470 0.000 0.000 0.226 537 S C 1.883 176.534 174.600 0.084 0.000 1.033 537 S CA 1.191 59.429 58.200 0.064 0.000 1.011 537 S CB -1.107 62.116 63.200 0.038 0.000 0.852 537 S HN 0.717 nan 8.310 nan 0.000 0.457 538 G N 0.875 109.702 108.800 0.045 0.000 2.422 538 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 538 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 538 G C 1.432 176.388 174.900 0.094 0.000 1.140 538 G CA 1.353 46.481 45.100 0.047 0.000 0.775 538 G HN 0.480 nan 8.290 nan 0.000 0.545 539 T N 0.731 115.328 114.554 0.071 0.000 2.737 539 T HA -0.079 4.271 4.350 0.000 0.000 0.265 539 T C 2.578 177.318 174.700 0.067 0.000 1.038 539 T CA 1.166 63.302 62.100 0.061 0.000 1.144 539 T CB -0.232 68.662 68.868 0.042 0.000 0.866 539 T HN 0.049 nan 8.240 nan 0.000 0.434 540 V N 0.527 120.486 119.914 0.075 0.000 2.295 540 V HA -0.174 3.946 4.120 0.000 0.000 0.246 540 V C 2.044 178.176 176.094 0.063 0.000 1.049 540 V CA 1.677 64.013 62.300 0.059 0.000 1.024 540 V CB -0.724 31.139 31.823 0.067 0.000 0.648 540 V HN 0.483 nan 8.190 nan 0.000 0.447 541 Y N 1.272 121.565 120.300 -0.010 0.000 2.114 541 Y HA -0.315 4.235 4.550 0.000 0.000 0.282 541 Y C 2.795 178.679 175.900 -0.026 0.000 1.165 541 Y CA 2.448 60.537 58.100 -0.019 0.000 1.148 541 Y CB -0.286 38.168 38.460 -0.011 0.000 0.972 541 Y HN 0.118 nan 8.280 nan 0.000 0.504 542 R N 0.081 120.714 120.500 0.222 0.000 2.081 542 R HA -0.146 4.195 4.340 0.000 0.000 0.235 542 R C 2.422 178.727 176.300 0.008 0.000 1.131 542 R CA 1.607 57.785 56.100 0.131 0.000 0.960 542 R CB -0.224 30.143 30.300 0.113 0.000 0.856 542 R HN 0.267 nan 8.270 nan 0.000 0.436 543 R N 0.182 120.675 120.500 -0.013 0.000 2.090 543 R HA -0.041 4.299 4.340 0.000 0.000 0.228 543 R C 2.340 178.581 176.300 -0.099 0.000 1.110 543 R CA 1.157 57.224 56.100 -0.054 0.000 0.973 543 R CB -0.221 30.054 30.300 -0.041 0.000 0.869 543 R HN 0.319 nan 8.270 nan 0.000 0.440 544 L N -0.157 120.989 121.223 -0.129 0.000 2.056 544 L HA -0.134 4.207 4.340 0.000 0.000 0.207 544 L C 2.594 179.352 176.870 -0.187 0.000 1.078 544 L CA 1.038 55.773 54.840 -0.176 0.000 0.749 544 L CB -0.322 41.579 42.059 -0.264 0.000 0.901 544 L HN 0.040 nan 8.230 nan 0.000 0.433 545 R N 0.639 120.999 120.500 -0.233 0.000 2.096 545 R HA -0.105 4.235 4.340 0.000 0.000 0.235 545 R C 2.185 178.433 176.300 -0.087 0.000 1.127 545 R CA 1.478 57.465 56.100 -0.188 0.000 0.968 545 R CB -0.928 29.269 30.300 -0.171 0.000 0.861 545 R HN 0.317 nan 8.270 nan 0.000 0.440 546 G N 0.118 108.871 108.800 -0.079 0.000 2.418 546 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 546 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 546 G C 1.393 176.237 174.900 -0.093 0.000 1.158 546 G CA 0.883 45.943 45.100 -0.066 0.000 0.771 546 G HN 0.317 nan 8.290 nan 0.000 0.545 547 L N -0.017 121.117 121.223 -0.149 0.000 2.093 547 L HA 0.046 4.387 4.340 0.000 0.000 0.208 547 L C 2.831 179.707 176.870 0.009 0.000 1.085 547 L CA 0.559 55.273 54.840 -0.210 0.000 0.755 547 L CB -0.259 41.664 42.059 -0.228 0.000 0.904 547 L HN 0.198 nan 8.230 nan 0.000 0.435 548 I N -0.672 119.905 120.570 0.012 0.000 2.226 548 I HA -0.300 3.870 4.170 0.000 0.000 0.245 548 I C 2.808 178.974 176.117 0.083 0.000 1.100 548 I CA 1.127 62.464 61.300 0.061 0.000 1.374 548 I CB -0.289 37.713 38.000 0.004 0.000 1.057 548 I HN 0.213 nan 8.210 nan 0.000 0.413 549 R N 0.590 121.120 120.500 0.051 0.000 2.073 549 R HA -0.263 4.077 4.340 0.000 0.000 0.234 549 R C 2.401 178.767 176.300 0.110 0.000 1.134 549 R CA 1.866 58.007 56.100 0.067 0.000 0.952 549 R CB -0.165 30.160 30.300 0.042 0.000 0.850 549 R HN 0.202 nan 8.270 nan 0.000 0.433 550 Q N 0.657 120.539 119.800 0.137 0.000 2.079 550 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 550 Q C 2.020 178.205 176.000 0.308 0.000 0.974 550 Q CA 1.937 57.881 55.803 0.234 0.000 0.840 550 Q CB -0.247 28.661 28.738 0.285 0.000 0.898 550 Q HN 0.284 nan 8.270 nan 0.000 0.430 551 R N -0.464 120.255 120.500 0.365 0.000 2.096 551 R HA -0.163 4.177 4.340 0.000 0.000 0.240 551 R C 1.959 178.323 176.300 0.108 0.000 1.139 551 R CA 1.665 57.912 56.100 0.246 0.000 0.952 551 R CB -0.603 29.848 30.300 0.251 0.000 0.854 551 R HN 0.299 nan 8.270 nan 0.000 0.436 552 A N 0.357 123.250 122.820 0.123 0.000 2.070 552 A HA -0.027 4.293 4.320 0.000 0.000 0.220 552 A C 2.090 179.733 177.584 0.098 0.000 1.159 552 A CA 1.549 53.653 52.037 0.112 0.000 0.656 552 A CB -0.435 18.642 19.000 0.129 0.000 0.800 552 A HN 0.567 nan 8.150 nan 0.000 0.453 553 A N -1.122 121.758 122.820 0.100 0.000 2.275 553 A HA 0.523 4.843 4.320 0.000 0.000 0.212 553 A C 0.515 178.143 177.584 0.073 0.000 1.201 553 A CA -0.156 51.935 52.037 0.090 0.000 0.843 553 A CB -0.161 18.901 19.000 0.104 0.000 0.873 553 A HN 0.351 nan 8.150 nan 0.000 0.492 554 L N 0.037 121.284 121.223 0.040 0.000 2.283 554 L HA 0.347 4.687 4.340 0.000 0.000 0.281 554 L C 1.536 178.367 176.870 -0.065 0.000 1.033 554 L CA -0.537 54.292 54.840 -0.018 0.000 0.848 554 L CB 1.395 43.392 42.059 -0.104 0.000 1.226 554 L HN 0.315 nan 8.230 nan 0.000 0.429 555 G N 1.748 110.528 108.800 -0.032 0.000 2.470 555 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 555 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 555 G C 1.493 176.343 174.900 -0.083 0.000 1.121 555 G CA 0.887 45.962 45.100 -0.041 0.000 0.766 555 G HN 0.723 nan 8.290 nan 0.000 0.553 556 A N 0.010 122.767 122.820 -0.106 0.000 2.121 556 A HA 0.187 4.507 4.320 0.000 0.000 0.218 556 A C 1.984 179.431 177.584 -0.229 0.000 1.154 556 A CA 0.818 52.775 52.037 -0.133 0.000 0.679 556 A CB -0.132 18.814 19.000 -0.091 0.000 0.795 556 A HN 0.299 nan 8.150 nan 0.000 0.458 557 L N -0.726 120.320 121.223 -0.295 0.000 2.592 557 L HA 0.301 4.641 4.340 0.000 0.000 0.227 557 L C 1.429 178.181 176.870 -0.197 0.000 1.127 557 L CA 0.361 55.002 54.840 -0.332 0.000 0.884 557 L CB -0.739 41.059 42.059 -0.435 0.000 1.065 557 L HN 0.316 nan 8.230 nan 0.000 0.457 558 A N -0.369 122.361 122.820 -0.151 0.000 2.520 558 A HA 0.370 4.690 4.320 0.000 0.000 0.235 558 A C 1.702 179.208 177.584 -0.131 0.000 1.065 558 A CA 0.547 52.506 52.037 -0.131 0.000 0.764 558 A CB 0.224 19.163 19.000 -0.102 0.000 1.002 558 A HN 0.351 nan 8.150 nan 0.000 0.502 559 A N 1.136 123.866 122.820 -0.150 0.000 2.076 559 A HA -0.128 4.192 4.320 0.000 0.000 0.220 559 A C 1.401 178.897 177.584 -0.147 0.000 1.160 559 A CA 1.857 53.806 52.037 -0.147 0.000 0.653 559 A CB -0.471 18.410 19.000 -0.199 0.000 0.801 559 A HN 0.900 nan 8.150 nan 0.000 0.455 560 D N -1.065 119.250 120.400 -0.141 0.000 2.339 560 D HA 0.002 4.642 4.640 0.000 0.000 0.217 560 D C 0.140 176.379 176.300 -0.103 0.000 1.050 560 D CA 0.090 54.010 54.000 -0.134 0.000 0.856 560 D CB -0.146 40.577 40.800 -0.128 0.000 0.922 560 D HN 0.276 nan 8.370 nan 0.000 0.518 561 Q N 0.752 120.497 119.800 -0.091 0.000 2.230 561 Q HA 0.560 4.900 4.340 0.000 0.000 0.253 561 Q C -0.045 175.921 176.000 -0.055 0.000 0.919 561 Q CA -0.669 55.090 55.803 -0.073 0.000 0.908 561 Q CB 1.923 30.612 28.738 -0.081 0.000 1.245 561 Q HN 0.226 nan 8.270 nan 0.000 0.437 562 A N 2.143 124.940 122.820 -0.038 0.000 2.492 562 A HA 0.255 4.575 4.320 0.000 0.000 0.236 562 A C -0.364 177.224 177.584 0.006 0.000 1.078 562 A CA -0.068 51.960 52.037 -0.015 0.000 0.773 562 A CB 0.126 19.119 19.000 -0.011 0.000 1.023 562 A HN 0.565 nan 8.150 nan 0.000 0.504 563 L N 0.785 122.030 121.223 0.036 0.000 2.410 563 L HA 0.846 5.186 4.340 0.000 0.000 0.270 563 L C -0.171 176.738 176.870 0.066 0.000 0.983 563 L CA 0.520 55.399 54.840 0.064 0.000 0.822 563 L CB 1.531 43.658 42.059 0.115 0.000 1.285 563 L HN 1.388 nan 8.230 nan 0.000 0.409 564 A N 2.832 125.689 122.820 0.062 0.000 2.557 564 A HA 0.891 5.211 4.320 0.000 0.000 0.292 564 A C -1.431 176.198 177.584 0.074 0.000 1.139 564 A CA -0.148 51.924 52.037 0.058 0.000 0.665 564 A CB 1.481 20.504 19.000 0.038 0.000 1.285 564 A HN 0.889 nan 8.150 nan 0.000 0.433 565 S N -0.409 115.353 115.700 0.102 0.000 2.548 565 S HA 0.649 5.119 4.470 0.000 0.000 0.276 565 S C -1.246 173.505 174.600 0.251 0.000 1.129 565 S CA -0.482 57.830 58.200 0.186 0.000 0.931 565 S CB 0.581 63.996 63.200 0.359 0.000 1.068 565 S HN 0.646 nan 8.310 nan 0.000 0.480 566 I N 3.886 124.544 120.570 0.147 0.000 2.371 566 I HA 0.408 4.578 4.170 0.000 0.000 0.290 566 I C 0.822 176.916 176.117 -0.039 0.000 1.028 566 I CA -0.560 60.784 61.300 0.073 0.000 1.345 566 I CB 1.297 39.294 38.000 -0.005 0.000 1.407 566 I HN 0.791 nan 8.210 nan 0.000 0.501 567 A N 8.216 130.955 122.820 -0.135 0.000 2.492 567 A HA 0.545 4.865 4.320 0.000 0.000 0.254 567 A C -0.364 177.078 177.584 -0.236 0.000 1.091 567 A CA 0.057 51.809 52.037 -0.475 0.000 0.768 567 A CB 0.023 18.879 19.000 -0.241 0.000 1.028 567 A HN 0.692 nan 8.150 nan 0.000 0.498 568 L N 1.970 123.052 121.223 -0.236 0.000 2.341 568 L HA 0.366 4.706 4.340 0.000 0.000 0.267 568 L C 0.751 177.573 176.870 -0.081 0.000 1.009 568 L CA -0.892 53.886 54.840 -0.105 0.000 0.819 568 L CB 2.029 44.055 42.059 -0.055 0.000 1.323 568 L HN 0.888 nan 8.230 nan 0.000 0.425 569 N N -1.499 117.174 118.700 -0.045 0.000 2.412 569 N HA -0.047 4.693 4.740 0.000 0.000 0.184 569 N C -0.084 175.417 175.510 -0.015 0.000 1.101 569 N CA -0.076 52.957 53.050 -0.029 0.000 0.881 569 N CB 0.033 38.508 38.487 -0.019 0.000 0.969 569 N HN 0.436 nan 8.380 nan 0.000 0.459 570 D N 1.475 121.869 120.400 -0.010 0.000 2.380 570 D HA 0.146 4.786 4.640 0.000 0.000 0.230 570 D C -1.479 174.828 176.300 0.011 0.000 1.154 570 D CA -2.214 51.788 54.000 0.003 0.000 0.859 570 D CB 1.498 42.304 40.800 0.009 0.000 1.045 570 D HN 0.057 nan 8.370 nan 0.000 0.495 571 P HA -0.085 nan 4.420 nan 0.000 0.228 571 P C 0.857 178.171 177.300 0.023 0.000 1.151 571 P CA 0.497 63.602 63.100 0.009 0.000 0.770 571 P CB 0.442 32.142 31.700 -0.000 0.000 0.786 572 R N -0.494 120.031 120.500 0.042 0.000 2.275 572 R HA 0.133 4.473 4.340 0.000 0.000 0.199 572 R C 0.715 177.108 176.300 0.155 0.000 0.989 572 R CA 0.201 56.349 56.100 0.079 0.000 1.016 572 R CB 0.028 30.357 30.300 0.049 0.000 0.918 572 R HN 0.120 nan 8.270 nan 0.000 0.473 573 V N 0.559 120.558 119.914 0.142 0.000 2.834 573 V HA 0.354 4.474 4.120 0.000 0.000 0.313 573 V C -0.735 175.538 176.094 0.299 0.000 1.060 573 V CA -0.835 61.593 62.300 0.214 0.000 0.989 573 V CB 1.755 33.654 31.823 0.126 0.000 1.041 573 V HN -0.053 nan 8.190 nan 0.000 0.459 574 F N 2.336 122.405 119.950 0.199 0.000 2.585 574 F HA 0.786 5.313 4.527 0.000 0.000 0.319 574 F C -0.245 175.726 175.800 0.285 0.000 1.165 574 F CA -1.154 56.950 58.000 0.174 0.000 0.949 574 F CB 1.142 40.193 39.000 0.086 0.000 1.218 574 F HN 0.605 nan 8.300 nan 0.000 0.453 575 A N 7.631 130.310 122.820 -0.235 0.000 2.273 575 A HA 0.685 5.006 4.320 0.000 0.000 0.315 575 A C -1.795 175.459 177.584 -0.551 0.000 1.256 575 A CA -0.638 51.211 52.037 -0.312 0.000 0.851 575 A CB 0.820 19.748 19.000 -0.120 0.000 1.172 575 A HN 0.945 nan 8.150 nan 0.000 0.508 576 L N 3.582 124.465 121.223 -0.566 0.000 2.322 576 L HA 0.788 5.129 4.340 0.000 0.000 0.281 576 L C 0.195 176.999 176.870 -0.109 0.000 1.014 576 L CA -0.203 54.422 54.840 -0.357 0.000 0.815 576 L CB 2.040 43.923 42.059 -0.292 0.000 1.247 576 L HN 0.785 nan 8.230 nan 0.000 0.421 577 T N 1.564 116.106 114.554 -0.021 0.000 2.885 577 T HA 0.673 5.024 4.350 0.000 0.000 0.285 577 T C -0.472 174.288 174.700 0.100 0.000 1.019 577 T CA -0.957 61.165 62.100 0.035 0.000 1.010 577 T CB 1.793 70.660 68.868 -0.002 0.000 1.022 577 T HN 0.517 nan 8.240 nan 0.000 0.466 578 R N 1.163 121.767 120.500 0.172 0.000 2.532 578 R HA 0.668 5.009 4.340 0.000 0.000 0.297 578 R C 0.950 177.273 176.300 0.037 0.000 0.984 578 R CA 0.177 56.311 56.100 0.056 0.000 0.884 578 R CB 1.034 31.271 30.300 -0.106 0.000 1.182 578 R HN 1.330 nan 8.270 nan 0.000 0.442 579 G N 3.091 111.888 108.800 -0.005 0.000 2.574 579 G HA2 -0.404 3.556 3.960 0.000 0.000 0.282 579 G HA3 -0.404 3.556 3.960 0.000 0.000 0.282 579 G C 0.029 174.928 174.900 -0.001 0.000 1.257 579 G CA 0.798 45.890 45.100 -0.013 0.000 0.956 579 G HN 0.715 nan 8.290 nan 0.000 0.560 580 D N -1.590 118.804 120.400 -0.010 0.000 2.433 580 D HA 0.332 4.972 4.640 0.000 0.000 0.211 580 D C 1.642 177.927 176.300 -0.025 0.000 1.114 580 D CA 1.153 55.142 54.000 -0.018 0.000 0.837 580 D CB 0.195 40.978 40.800 -0.027 0.000 0.984 580 D HN 0.959 nan 8.370 nan 0.000 0.505 581 S N -1.335 114.362 115.700 -0.004 0.000 2.666 581 S HA 0.281 4.751 4.470 0.000 0.000 0.239 581 S C -0.113 174.509 174.600 0.036 0.000 1.031 581 S CA -0.856 57.334 58.200 -0.016 0.000 1.015 581 S CB -0.281 62.902 63.200 -0.028 0.000 0.981 581 S HN 0.190 nan 8.310 nan 0.000 0.547 582 F N 2.275 122.156 119.950 -0.115 0.000 2.520 582 F HA 0.764 5.292 4.527 0.000 0.000 0.322 582 F C -1.548 174.161 175.800 -0.151 0.000 1.103 582 F CA -1.306 56.608 58.000 -0.142 0.000 0.926 582 F CB 1.327 40.214 39.000 -0.188 0.000 1.154 582 F HN -0.023 nan 8.300 nan 0.000 0.453 583 I N 4.981 124.979 120.570 -0.953 0.000 2.569 583 I HA 0.550 4.720 4.170 0.000 0.000 0.290 583 I C -0.905 174.625 176.117 -0.979 0.000 1.088 583 I CA -0.914 59.970 61.300 -0.693 0.000 1.047 583 I CB 1.294 39.080 38.000 -0.358 0.000 1.237 583 I HN 0.755 nan 8.210 nan 0.000 0.421 584 A N 7.463 129.917 122.820 -0.609 0.000 2.319 584 A HA 0.828 5.148 4.320 0.000 0.000 0.310 584 A C -0.898 176.486 177.584 -0.335 0.000 1.152 584 A CA -0.480 51.316 52.037 -0.401 0.000 0.783 584 A CB 1.050 19.972 19.000 -0.129 0.000 1.184 584 A HN 0.660 nan 8.150 nan 0.000 0.474 585 L N 3.761 124.784 121.223 -0.333 0.000 2.309 585 L HA 0.542 4.882 4.340 0.000 0.000 0.282 585 L C -0.373 176.307 176.870 -0.317 0.000 1.036 585 L CA -0.560 54.150 54.840 -0.217 0.000 0.806 585 L CB 1.359 43.352 42.059 -0.108 0.000 1.220 585 L HN 0.719 nan 8.230 nan 0.000 0.429 586 H N 2.204 121.355 119.070 0.134 0.000 2.679 586 H HA 0.229 4.785 4.556 0.000 0.000 0.360 586 H C -1.201 174.267 175.328 0.232 0.000 1.105 586 H CA -0.663 55.520 56.048 0.225 0.000 1.196 586 H CB 2.583 32.636 29.762 0.484 0.000 1.636 586 H HN 0.571 nan 8.280 nan 0.000 0.531 587 N N 2.664 121.485 118.700 0.201 0.000 2.511 587 N HA 0.124 4.864 4.740 0.000 0.000 0.249 587 N C -0.446 175.086 175.510 0.037 0.000 0.971 587 N CA -0.390 52.731 53.050 0.119 0.000 0.938 587 N CB 0.601 39.086 38.487 -0.002 0.000 1.131 587 N HN 0.330 nan 8.380 nan 0.000 0.505 588 F N 1.653 121.654 119.950 0.086 0.000 2.773 588 F HA 0.104 4.631 4.527 -0.000 0.000 0.304 588 F C 1.312 177.117 175.800 0.008 0.000 1.129 588 F CA -0.176 57.895 58.000 0.118 0.000 1.378 588 F CB 0.028 39.083 39.000 0.092 0.000 1.095 588 F HN 0.332 nan 8.300 nan 0.000 0.565 589 S N -1.287 114.348 115.700 -0.110 0.000 2.747 589 S HA 0.311 4.781 4.470 0.000 0.000 0.300 589 S C 0.312 174.463 174.600 -0.747 0.000 1.121 589 S CA -0.504 57.547 58.200 -0.248 0.000 0.995 589 S CB 1.456 64.592 63.200 -0.106 0.000 1.113 589 S HN 0.165 nan 8.310 nan 0.000 0.547 590 D N -0.618 119.469 120.400 -0.523 0.000 2.358 590 D HA 0.160 4.800 4.640 0.000 0.000 0.224 590 D C -0.028 176.134 176.300 -0.229 0.000 1.123 590 D CA -0.114 53.589 54.000 -0.495 0.000 0.833 590 D CB -0.072 40.675 40.800 -0.088 0.000 0.946 590 D HN 0.313 nan 8.370 nan 0.000 0.505 591 Q N 0.406 120.087 119.800 -0.198 0.000 2.306 591 Q HA 0.385 4.725 4.340 0.000 0.000 0.265 591 Q C -0.508 175.434 176.000 -0.096 0.000 1.022 591 Q CA -1.113 54.627 55.803 -0.104 0.000 0.853 591 Q CB 2.712 31.410 28.738 -0.066 0.000 1.327 591 Q HN 0.260 nan 8.270 nan 0.000 0.449 592 L N 3.088 124.275 121.223 -0.060 0.000 2.380 592 L HA 0.346 4.686 4.340 0.000 0.000 0.273 592 L C -1.039 175.810 176.870 -0.035 0.000 1.138 592 L CA -0.080 54.733 54.840 -0.045 0.000 0.832 592 L CB 0.239 42.281 42.059 -0.029 0.000 1.124 592 L HN 0.573 nan 8.230 nan 0.000 0.454 593 L N 1.904 123.109 121.223 -0.029 0.000 2.669 593 L HA 0.810 5.150 4.340 0.000 0.000 0.255 593 L C -1.597 175.266 176.870 -0.013 0.000 1.123 593 L CA -0.812 54.017 54.840 -0.018 0.000 0.941 593 L CB 1.437 43.487 42.059 -0.015 0.000 1.552 593 L HN 0.661 nan 8.230 nan 0.000 0.394 594 D N -0.771 119.624 120.400 -0.008 0.000 2.596 594 D HA 0.597 5.237 4.640 0.000 0.000 0.234 594 D C -1.408 174.889 176.300 -0.005 0.000 1.181 594 D CA -0.467 53.529 54.000 -0.007 0.000 0.856 594 D CB 2.362 43.158 40.800 -0.008 0.000 1.498 594 D HN 0.460 nan 8.370 nan 0.000 0.446 595 V N 0.718 120.628 119.914 -0.007 0.000 2.409 595 V HA 0.288 4.408 4.120 0.000 0.000 0.291 595 V C 0.220 176.307 176.094 -0.013 0.000 1.020 595 V CA -0.842 61.453 62.300 -0.009 0.000 0.848 595 V CB 1.251 33.066 31.823 -0.012 0.000 0.990 595 V HN 0.640 nan 8.190 nan 0.000 0.430 596 E N 3.398 123.590 120.200 -0.012 0.000 2.290 596 E HA 0.230 4.580 4.350 0.000 0.000 0.277 596 E C 0.744 177.334 176.600 -0.017 0.000 1.035 596 E CA -0.400 55.993 56.400 -0.012 0.000 0.873 596 E CB 1.002 30.696 29.700 -0.011 0.000 1.029 596 E HN 0.645 nan 8.360 nan 0.000 0.419 597 L N 3.768 124.981 121.223 -0.015 0.000 2.079 597 L HA -0.182 4.158 4.340 0.000 0.000 0.210 597 L C 2.026 178.884 176.870 -0.021 0.000 1.081 597 L CA 1.196 56.025 54.840 -0.020 0.000 0.752 597 L CB -0.472 41.579 42.059 -0.013 0.000 0.896 597 L HN 0.602 nan 8.230 nan 0.000 0.433 598 A N -0.333 122.477 122.820 -0.016 0.000 2.250 598 A HA 0.290 4.610 4.320 0.000 0.000 0.208 598 A C 1.909 179.482 177.584 -0.017 0.000 1.254 598 A CA 1.068 53.096 52.037 -0.015 0.000 0.858 598 A CB -0.496 18.497 19.000 -0.011 0.000 0.820 598 A HN 0.411 nan 8.150 nan 0.000 0.484 599 A N -0.543 122.264 122.820 -0.021 0.000 2.358 599 A HA 0.432 4.752 4.320 0.000 0.000 0.223 599 A C 1.214 178.780 177.584 -0.030 0.000 1.218 599 A CA 0.661 52.683 52.037 -0.024 0.000 0.942 599 A CB 0.030 19.016 19.000 -0.023 0.000 1.005 599 A HN 0.879 nan 8.150 nan 0.000 0.514 600 I N -5.211 115.339 120.570 -0.033 0.000 4.160 600 I HA 0.468 4.638 4.170 0.000 0.000 0.325 600 I C 0.886 176.978 176.117 -0.042 0.000 1.455 600 I CA 0.034 61.310 61.300 -0.041 0.000 1.142 600 I CB 0.198 38.165 38.000 -0.055 0.000 1.262 600 I HN 0.190 nan 8.210 nan 0.000 0.483 601 G N 3.155 111.935 108.800 -0.034 0.000 2.372 601 G HA2 -0.131 3.829 3.960 0.000 0.000 0.290 601 G HA3 -0.131 3.829 3.960 0.000 0.000 0.290 601 G C -0.065 174.810 174.900 -0.042 0.000 0.965 601 G CA 0.638 45.718 45.100 -0.033 0.000 1.263 601 G HN 0.924 nan 8.290 nan 0.000 0.498 602 V N -2.537 117.352 119.914 -0.041 0.000 3.105 602 V HA 1.033 5.153 4.120 0.000 0.000 0.311 602 V C 0.213 176.289 176.094 -0.031 0.000 1.282 602 V CA 0.304 62.575 62.300 -0.048 0.000 1.065 602 V CB 2.342 34.129 31.823 -0.061 0.000 1.136 602 V HN 1.166 nan 8.190 nan 0.000 0.469 603 D N -2.485 117.899 120.400 -0.027 0.000 4.172 603 D HA 0.131 4.771 4.640 0.000 0.000 0.230 603 D C 0.547 176.864 176.300 0.028 0.000 0.582 603 D CA 0.326 54.331 54.000 0.008 0.000 0.695 603 D CB -1.317 39.489 40.800 0.010 0.000 1.689 603 D HN 1.118 nan 8.370 nan 0.000 0.148 604 G N -0.251 108.532 108.800 -0.028 0.000 2.393 604 G HA2 0.344 4.305 3.960 0.000 0.000 0.268 604 G HA3 0.344 4.305 3.960 0.000 0.000 0.268 604 G C -0.429 174.583 174.900 0.187 0.000 1.472 604 G CA -0.215 44.832 45.100 -0.088 0.000 1.059 604 G HN 0.087 nan 8.290 nan 0.000 0.555 605 W N -1.493 119.803 121.300 -0.006 0.000 2.639 605 W HA 0.545 5.205 4.660 -0.000 0.000 0.347 605 W C -0.163 176.360 176.519 0.008 0.000 1.067 605 W CA -1.172 56.175 57.345 0.004 0.000 1.218 605 W CB 0.345 29.815 29.460 0.017 0.000 1.393 605 W HN 0.211 nan 8.180 nan 0.000 0.557 606 T N 4.201 118.897 114.554 0.237 0.000 2.817 606 T HA 0.320 4.670 4.350 0.000 0.000 0.293 606 T C 0.315 175.111 174.700 0.161 0.000 0.964 606 T CA -0.536 61.651 62.100 0.144 0.000 1.085 606 T CB 0.436 69.352 68.868 0.081 0.000 0.921 606 T HN -0.090 nan 8.240 nan 0.000 0.502 607 L N 5.573 126.903 121.223 0.179 0.000 2.395 607 L HA 0.342 4.682 4.340 0.000 0.000 0.269 607 L C 0.850 177.796 176.870 0.127 0.000 1.133 607 L CA -0.440 54.524 54.840 0.206 0.000 0.812 607 L CB 0.057 42.322 42.059 0.343 0.000 1.125 607 L HN 0.642 nan 8.230 nan 0.000 0.452 625 I N 1.632 122.196 120.570 -0.009 0.000 2.389 625 I HA 0.479 4.649 4.170 0.000 0.000 0.288 625 I C -0.814 175.296 176.117 -0.011 0.000 0.999 625 I CA -1.065 60.228 61.300 -0.011 0.000 1.129 625 I CB 1.929 39.919 38.000 -0.018 0.000 1.288 625 I HN 0.524 nan 8.210 nan 0.000 0.444 626 V N 7.567 127.475 119.914 -0.011 0.000 2.461 626 V HA 0.333 4.453 4.120 0.000 0.000 0.275 626 V C 0.083 176.167 176.094 -0.016 0.000 1.047 626 V CA -0.303 61.990 62.300 -0.012 0.000 0.955 626 V CB 1.278 33.095 31.823 -0.011 0.000 0.988 626 V HN 0.456 nan 8.190 nan 0.000 0.471 627 L N 8.225 129.438 121.223 -0.017 0.000 2.319 627 L HA 0.498 4.838 4.340 0.000 0.000 0.281 627 L C -2.196 174.657 176.870 -0.029 0.000 1.005 627 L CA -1.697 53.130 54.840 -0.021 0.000 0.828 627 L CB 2.300 44.351 42.059 -0.014 0.000 1.227 627 L HN 0.437 nan 8.230 nan 0.000 0.415 628 P HA 0.234 nan 4.420 nan 0.000 0.275 628 P C -2.687 174.576 177.300 -0.062 0.000 1.266 628 P CA -1.822 61.257 63.100 -0.034 0.000 0.793 628 P CB -0.292 31.398 31.700 -0.018 0.000 1.074 629 P HA -0.047 nan 4.420 nan 0.000 0.262 629 P C -0.547 176.671 177.300 -0.137 0.000 1.182 629 P CA 0.906 63.873 63.100 -0.221 0.000 0.761 629 P CB -0.629 30.967 31.700 -0.174 0.000 0.795 630 Y N -0.314 119.948 120.300 -0.064 0.000 4.079 630 Y HA -0.218 4.332 4.550 0.000 0.000 0.223 630 Y C 1.371 177.200 175.900 -0.119 0.000 1.155 630 Y CA 1.117 59.137 58.100 -0.134 0.000 1.805 630 Y CB -2.406 35.977 38.460 -0.129 0.000 1.571 630 Y HN 0.452 nan 8.280 nan 0.000 0.654 631 G N -0.209 108.593 108.800 0.003 0.000 2.507 631 G HA2 0.505 4.465 3.960 0.000 0.000 0.271 631 G HA3 0.505 4.465 3.960 0.000 0.000 0.271 631 G C -0.735 174.155 174.900 -0.017 0.000 1.189 631 G CA 0.065 45.160 45.100 -0.009 0.000 0.859 631 G HN 0.468 nan 8.290 nan 0.000 0.542 632 V N 1.327 121.213 119.914 -0.047 0.000 2.760 632 V HA 0.878 4.998 4.120 0.000 0.000 0.309 632 V C -0.859 175.165 176.094 -0.116 0.000 1.077 632 V CA -1.125 61.119 62.300 -0.093 0.000 0.910 632 V CB 2.113 33.904 31.823 -0.053 0.000 1.008 632 V HN 0.859 nan 8.190 nan 0.000 0.424 633 R N 4.758 125.199 120.500 -0.099 0.000 2.574 633 R HA 0.580 4.920 4.340 0.000 0.000 0.288 633 R C -2.109 174.256 176.300 0.108 0.000 1.004 633 R CA -0.361 55.717 56.100 -0.036 0.000 0.895 633 R CB 1.492 31.768 30.300 -0.039 0.000 1.191 633 R HN 0.714 nan 8.270 nan 0.000 0.444 634 W N 5.738 126.952 121.300 -0.144 0.000 2.433 634 W HA 0.509 5.169 4.660 -0.000 0.000 0.315 634 W C -0.909 175.484 176.519 -0.210 0.000 1.087 634 W CA -0.709 56.505 57.345 -0.218 0.000 1.205 634 W CB 0.885 30.365 29.460 0.032 0.000 1.288 634 W HN 0.338 nan 8.180 nan 0.000 0.504 635 L N 2.642 123.742 121.223 -0.205 0.000 2.381 635 L HA 0.410 4.750 4.340 0.000 0.000 0.268 635 L C 0.256 177.017 176.870 -0.181 0.000 0.997 635 L CA -0.987 53.779 54.840 -0.123 0.000 0.818 635 L CB 1.970 43.955 42.059 -0.124 0.000 1.310 635 L HN 0.193 nan 8.230 nan 0.000 0.416 636 Q N 2.023 121.804 119.800 -0.032 0.000 2.810 636 Q HA 0.102 4.442 4.340 0.000 0.000 0.236 636 Q C 0.740 176.647 176.000 -0.154 0.000 1.278 636 Q CA -0.450 55.322 55.803 -0.053 0.000 1.065 636 Q CB 0.670 29.409 28.738 0.002 0.000 1.364 636 Q HN 0.495 nan 8.270 nan 0.000 0.570 637 R N -0.453 119.955 120.500 -0.153 0.000 2.407 637 R HA -0.151 4.189 4.340 0.000 0.000 0.241 637 R C 0.605 176.787 176.300 -0.197 0.000 1.180 637 R CA 1.429 57.439 56.100 -0.151 0.000 1.048 637 R CB -0.255 29.968 30.300 -0.128 0.000 0.847 637 R HN 0.309 nan 8.270 nan 0.000 0.488 638 G N 0.000 108.644 108.800 -0.260 0.000 5.446 638 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 638 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 638 G CA 0.000 44.908 45.100 -0.320 0.000 0.502 638 G HN 0.000 nan 8.290 nan 0.000 0.925