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 6gpb_1_A DATA FIRST_RESID 14 DATA SEQUENCE SVRGLAGVEN VTELKKNFNR HLHFTLVKDR NVATPRDYYF ALAHTVRDHL DATA SEQUENCE VGRWIRTQQH YYEKDPKRIY YLSLEFYMGR TLQNTMVNLA LENACDEATY DATA SEQUENCE QLGLDMEELE EIEEDAGLGN GGLGRLAACF LDSMATLGLA AYGYGIRYEF DATA SEQUENCE GIFNQKICGG WQMEEADDWL RYGNPWEKAR PEFTLPVHFY GRVEHTSQGA DATA SEQUENCE KWVDTQVVLA MPYDTPVPGY RNNVVNTMRL WSAKAPNDFN LKDFNVGGYI DATA SEQUENCE QAVLDRNLAE NISRVLYPND NFFEGKELRL KQEYFVVAAT LQDIIRRFKS DATA SEQUENCE SKFGCRDPVR TNFDAFPDKV AIQLNDTHPS LAIPELMRVL VDLERLDWDK DATA SEQUENCE AWEVTVKTCA YTNHTVIPEA LERWPVHLLE TLLPRHLQII YEINQRFLNR DATA SEQUENCE VAAAFPGDVD RLRRMSLVEE GAVKRINMAH LCIAGSHAVN GVARIHSEIL DATA SEQUENCE KKTIFKDFYE LEPHKFQNKT NGITPRRWLV LCNPGLAEII AERIGEEYIS DATA SEQUENCE DLDQLRKLLS YVDDEAFIRD VAKVKQENKL KFAAYLEREY KVHINPNSLF DATA SEQUENCE DVQVKRIHEY KRQLLNCLHV ITLYNRIKKE PNKFVVPRTV MIGGKAAPGY DATA SEQUENCE HMAKMIIKLI TAIGDVVNHD PVVGDRLRVI FLENYRVSLA EKVIPAADLS DATA SEQUENCE EQISTAGTEA SGTGNMKFML NGALTIGTMD GANVEMAEEA GEENFFIFGM DATA SEQUENCE RVEDVDRLDQ RGYNAQEYYD RIPELRQIIE QLSSGFFSPK QPDLFKDIVN DATA SEQUENCE MLMHHDRFKV FADYEEYVKC QERVSALYKN PREWTRMVIR NIATSGKFSS DATA SEQUENCE DRTIAQYARE IWGVEPSRQR LPAPDEKI 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.610 174.600 0.017 0.000 1.055 14 S CA 0.000 58.208 58.200 0.013 0.000 1.107 14 S CB 0.000 63.208 63.200 0.013 0.000 0.593 15 V N 3.181 123.112 119.914 0.030 0.000 2.257 15 V HA 0.451 4.567 4.120 -0.007 0.000 0.269 15 V C 0.439 176.555 176.094 0.036 0.000 1.040 15 V CA -0.529 61.788 62.300 0.029 0.000 0.813 15 V CB 0.493 32.339 31.823 0.038 0.000 1.065 15 V HN 0.803 nan 8.190 nan 0.000 0.457 16 R N 2.954 123.467 120.500 0.022 0.000 2.586 16 R HA 0.450 4.786 4.340 -0.007 0.000 0.336 16 R C 1.050 177.351 176.300 0.001 0.000 1.060 16 R CA 0.383 56.491 56.100 0.014 0.000 1.079 16 R CB 0.941 31.244 30.300 0.005 0.000 1.317 16 R HN 0.908 nan 8.270 nan 0.000 0.568 17 G N 1.537 110.336 108.800 -0.002 0.000 2.539 17 G HA2 -0.295 3.661 3.960 -0.007 0.000 0.256 17 G HA3 -0.295 3.661 3.960 -0.007 0.000 0.256 17 G C -0.573 174.320 174.900 -0.012 0.000 1.233 17 G CA -0.505 44.587 45.100 -0.014 0.000 0.936 17 G HN 0.170 nan 8.290 nan 0.000 0.571 18 L N 0.089 121.300 121.223 -0.019 0.000 2.354 18 L HA 0.717 5.053 4.340 -0.007 0.000 0.269 18 L C 0.856 177.715 176.870 -0.018 0.000 1.005 18 L CA 0.001 54.833 54.840 -0.014 0.000 0.819 18 L CB 1.999 44.050 42.059 -0.014 0.000 1.311 18 L HN 2.161 nan 8.230 nan 0.000 0.423 19 A N 1.451 124.265 122.820 -0.011 0.000 2.402 19 A HA 0.108 4.424 4.320 -0.007 0.000 0.221 19 A C 0.448 178.030 177.584 -0.002 0.000 2.887 19 A CA 0.035 52.069 52.037 -0.006 0.000 1.591 19 A CB -1.259 17.740 19.000 -0.001 0.000 0.160 19 A HN 0.807 nan 8.150 nan 0.000 0.567 20 G N 0.345 109.142 108.800 -0.004 0.000 2.508 20 G HA2 0.472 4.428 3.960 -0.007 0.000 0.301 20 G HA3 0.472 4.428 3.960 -0.007 0.000 0.301 20 G C 1.168 176.068 174.900 0.000 0.000 0.965 20 G CA 0.625 45.724 45.100 -0.002 0.000 1.339 20 G HN 1.164 nan 8.290 nan 0.000 0.455 21 V N 2.362 122.277 119.914 0.000 0.000 2.265 21 V HA -0.293 3.823 4.120 -0.007 0.000 0.259 21 V C 2.628 178.725 176.094 0.004 0.000 1.084 21 V CA 2.924 65.224 62.300 0.000 0.000 1.076 21 V CB -0.052 31.771 31.823 -0.001 0.000 0.680 21 V HN 0.695 nan 8.190 nan 0.000 0.452 22 E N -0.147 120.058 120.200 0.008 0.000 2.031 22 E HA -0.203 4.143 4.350 -0.007 0.000 0.193 22 E C 1.955 178.570 176.600 0.024 0.000 0.994 22 E CA 2.078 58.487 56.400 0.015 0.000 0.800 22 E CB -0.575 29.134 29.700 0.016 0.000 0.752 22 E HN 0.832 nan 8.360 nan 0.000 0.447 23 N N -0.300 118.413 118.700 0.022 0.000 2.244 23 N HA -0.115 4.621 4.740 -0.007 0.000 0.183 23 N C 1.835 177.358 175.510 0.022 0.000 1.016 23 N CA 0.898 53.966 53.050 0.030 0.000 0.866 23 N CB 0.032 38.526 38.487 0.012 0.000 0.980 23 N HN -0.059 nan 8.380 nan 0.000 0.430 24 V N 0.145 120.065 119.914 0.009 0.000 2.343 24 V HA -0.210 3.906 4.120 -0.007 0.000 0.247 24 V C 2.021 178.122 176.094 0.011 0.000 1.051 24 V CA 1.754 64.055 62.300 0.003 0.000 1.036 24 V CB -0.751 31.069 31.823 -0.005 0.000 0.654 24 V HN 0.395 nan 8.190 nan 0.000 0.451 25 T N 0.600 115.164 114.554 0.015 0.000 2.821 25 T HA -0.165 4.181 4.350 -0.007 0.000 0.267 25 T C 1.783 176.509 174.700 0.043 0.000 1.046 25 T CA 1.669 63.781 62.100 0.020 0.000 1.139 25 T CB -0.193 68.683 68.868 0.014 0.000 0.871 25 T HN 0.867 nan 8.240 nan 0.000 0.454 26 E N 1.057 121.294 120.200 0.060 0.000 2.072 26 E HA -0.073 4.273 4.350 -0.007 0.000 0.191 26 E C 1.972 178.648 176.600 0.126 0.000 0.985 26 E CA 0.752 57.207 56.400 0.092 0.000 0.801 26 E CB -0.598 29.172 29.700 0.116 0.000 0.750 26 E HN 0.190 nan 8.360 nan 0.000 0.452 27 L N 1.412 122.703 121.223 0.115 0.000 2.042 27 L HA -0.157 4.179 4.340 -0.007 0.000 0.210 27 L C 2.243 179.202 176.870 0.148 0.000 1.076 27 L CA 1.876 56.797 54.840 0.134 0.000 0.749 27 L CB -0.550 41.544 42.059 0.060 0.000 0.893 27 L HN 0.087 nan 8.230 nan 0.000 0.432 28 K N -0.803 119.644 120.400 0.078 0.000 2.032 28 K HA -0.235 4.081 4.320 -0.007 0.000 0.209 28 K C 2.184 178.868 176.600 0.140 0.000 1.048 28 K CA 1.445 57.764 56.287 0.053 0.000 0.927 28 K CB -0.246 32.248 32.500 -0.010 0.000 0.712 28 K HN 0.180 nan 8.250 nan 0.000 0.441 29 K N 0.923 121.393 120.400 0.116 0.000 2.063 29 K HA -0.153 4.163 4.320 -0.007 0.000 0.208 29 K C 1.448 178.145 176.600 0.162 0.000 1.048 29 K CA 1.377 57.735 56.287 0.118 0.000 0.928 29 K CB 0.011 32.562 32.500 0.085 0.000 0.713 29 K HN 0.160 nan 8.250 nan 0.000 0.442 30 N N -0.155 118.664 118.700 0.198 0.000 2.422 30 N HA -0.075 4.661 4.740 -0.007 0.000 0.181 30 N C 1.400 177.110 175.510 0.334 0.000 1.080 30 N CA 0.272 53.445 53.050 0.205 0.000 0.893 30 N CB -0.002 38.614 38.487 0.214 0.000 0.973 30 N HN 0.161 nan 8.380 nan 0.000 0.456 31 F N 2.527 122.587 119.950 0.183 0.000 2.113 31 F HA 0.006 4.529 4.527 -0.007 0.000 0.297 31 F C 1.917 177.823 175.800 0.177 0.000 1.103 31 F CA 1.253 59.367 58.000 0.190 0.000 1.248 31 F CB -0.152 38.922 39.000 0.123 0.000 0.999 31 F HN -0.049 nan 8.300 nan 0.000 0.475 32 N N 0.393 119.351 118.700 0.430 0.000 2.270 32 N HA -0.152 4.584 4.740 -0.007 0.000 0.181 32 N C 2.083 177.677 175.510 0.141 0.000 1.016 32 N CA 0.825 54.039 53.050 0.273 0.000 0.870 32 N CB -0.420 38.182 38.487 0.191 0.000 0.979 32 N HN 0.356 nan 8.380 nan 0.000 0.431 33 R N 0.512 121.099 120.500 0.145 0.000 2.081 33 R HA -0.116 4.220 4.340 -0.007 0.000 0.235 33 R C 1.500 177.880 176.300 0.134 0.000 1.131 33 R CA 1.519 57.716 56.100 0.161 0.000 0.960 33 R CB -0.108 30.240 30.300 0.080 0.000 0.856 33 R HN 0.378 nan 8.270 nan 0.000 0.436 34 H N -0.669 118.463 119.070 0.103 0.000 2.502 34 H HA -0.052 4.500 4.556 -0.007 0.000 0.283 34 H C 1.643 176.944 175.328 -0.045 0.000 1.015 34 H CA 0.873 56.949 56.048 0.048 0.000 1.298 34 H CB 0.211 29.970 29.762 -0.005 0.000 1.411 34 H HN 0.115 nan 8.280 nan 0.000 0.556 35 L N -0.007 121.227 121.223 0.020 0.000 2.017 35 L HA -0.174 4.162 4.340 -0.007 0.000 0.208 35 L C 2.215 179.082 176.870 -0.006 0.000 1.073 35 L CA 1.879 56.691 54.840 -0.047 0.000 0.745 35 L CB -0.468 41.590 42.059 -0.001 0.000 0.894 35 L HN 0.268 nan 8.230 nan 0.000 0.432 36 H N -1.509 117.466 119.070 -0.158 0.000 2.266 36 H HA -0.072 4.480 4.556 -0.007 0.000 0.308 36 H C 1.853 176.996 175.328 -0.308 0.000 1.057 36 H CA 2.355 58.206 56.048 -0.328 0.000 1.330 36 H CB -0.389 29.017 29.762 -0.593 0.000 1.400 36 H HN 0.284 nan 8.280 nan 0.000 0.503 37 F N -0.246 119.727 119.950 0.039 0.000 2.206 37 F HA -0.053 4.470 4.527 -0.007 0.000 0.298 37 F C 2.618 178.394 175.800 -0.039 0.000 1.090 37 F CA 1.550 59.514 58.000 -0.060 0.000 1.323 37 F CB -0.591 38.396 39.000 -0.021 0.000 1.028 37 F HN 0.200 nan 8.300 nan 0.000 0.492 38 T N -0.797 113.868 114.554 0.184 0.000 3.010 38 T HA 0.042 4.388 4.350 -0.007 0.000 0.252 38 T C 1.747 176.447 174.700 -0.001 0.000 1.047 38 T CA 0.596 62.774 62.100 0.129 0.000 1.140 38 T CB -0.127 68.898 68.868 0.262 0.000 0.885 38 T HN -0.017 nan 8.240 nan 0.000 0.464 39 L N 0.714 121.912 121.223 -0.042 0.000 2.416 39 L HA 0.313 4.649 4.340 -0.007 0.000 0.216 39 L C 0.524 177.331 176.870 -0.104 0.000 1.098 39 L CA 0.427 55.203 54.840 -0.108 0.000 0.840 39 L CB -0.098 41.883 42.059 -0.130 0.000 0.981 39 L HN -0.006 nan 8.230 nan 0.000 0.462 40 V N 0.135 119.986 119.914 -0.106 0.000 6.125 40 V HA -0.283 3.833 4.120 -0.007 0.000 0.281 40 V C 0.175 176.206 176.094 -0.104 0.000 0.591 40 V CA 0.906 63.125 62.300 -0.135 0.000 0.617 40 V CB -1.854 29.908 31.823 -0.102 0.000 0.336 40 V HN 0.427 nan 8.190 nan 0.000 0.650 41 K N 0.678 121.026 120.400 -0.087 0.000 2.439 41 K HA 0.850 5.166 4.320 -0.007 0.000 0.260 41 K C -1.091 175.495 176.600 -0.022 0.000 1.032 41 K CA -0.715 55.531 56.287 -0.068 0.000 0.882 41 K CB 2.156 34.596 32.500 -0.101 0.000 1.420 41 K HN 0.302 nan 8.250 nan 0.000 0.455 42 D N -0.270 120.125 120.400 -0.009 0.000 2.732 42 D HA 0.321 4.957 4.640 -0.007 0.000 0.229 42 D C 0.088 176.406 176.300 0.030 0.000 1.152 42 D CA -0.433 53.585 54.000 0.029 0.000 0.854 42 D CB 1.725 42.541 40.800 0.026 0.000 1.590 42 D HN 0.409 nan 8.370 nan 0.000 0.468 43 R N 2.387 122.926 120.500 0.066 0.000 2.152 43 R HA -0.050 4.286 4.340 -0.007 0.000 0.232 43 R C 0.984 177.341 176.300 0.095 0.000 1.117 43 R CA 0.972 57.147 56.100 0.124 0.000 0.981 43 R CB -0.364 30.015 30.300 0.132 0.000 0.870 43 R HN 0.548 nan 8.270 nan 0.000 0.451 44 N N -0.035 118.698 118.700 0.055 0.000 2.381 44 N HA -0.125 4.611 4.740 -0.007 0.000 0.182 44 N C 0.919 176.449 175.510 0.034 0.000 1.025 44 N CA 1.125 54.202 53.050 0.044 0.000 0.888 44 N CB 0.300 38.804 38.487 0.028 0.000 0.965 44 N HN 0.034 nan 8.380 nan 0.000 0.438 45 V N 0.085 120.008 119.914 0.014 0.000 3.199 45 V HA 0.380 4.496 4.120 -0.007 0.000 0.331 45 V C -0.328 175.737 176.094 -0.048 0.000 1.446 45 V CA -0.230 62.067 62.300 -0.005 0.000 1.120 45 V CB 0.248 32.065 31.823 -0.009 0.000 1.051 45 V HN 0.100 nan 8.190 nan 0.000 0.495 46 A N 1.198 123.964 122.820 -0.091 0.000 2.366 46 A HA 0.655 4.971 4.320 -0.007 0.000 0.272 46 A C 0.675 178.088 177.584 -0.285 0.000 1.135 46 A CA 0.569 52.432 52.037 -0.290 0.000 0.804 46 A CB 0.333 18.982 19.000 -0.586 0.000 1.064 46 A HN 0.666 nan 8.150 nan 0.000 0.499 47 T N 0.122 114.534 114.554 -0.236 0.000 2.897 47 T HA 0.530 4.876 4.350 -0.007 0.000 0.278 47 T C -2.075 172.592 174.700 -0.056 0.000 0.981 47 T CA -1.688 60.371 62.100 -0.069 0.000 0.973 47 T CB 0.947 69.798 68.868 -0.030 0.000 1.092 47 T HN 0.244 nan 8.240 nan 0.000 0.543 48 P HA -0.040 nan 4.420 nan 0.000 0.219 48 P C 1.597 179.009 177.300 0.186 0.000 1.146 48 P CA 0.828 64.103 63.100 0.291 0.000 0.808 48 P CB 0.052 31.870 31.700 0.196 0.000 0.779 49 R N 0.052 120.599 120.500 0.078 0.000 2.075 49 R HA -0.130 4.206 4.340 -0.007 0.000 0.232 49 R C 1.595 178.012 176.300 0.196 0.000 1.126 49 R CA 1.781 57.938 56.100 0.095 0.000 0.963 49 R CB -0.625 29.681 30.300 0.010 0.000 0.858 49 R HN 0.076 nan 8.270 nan 0.000 0.435 50 D N -0.317 120.111 120.400 0.047 0.000 2.144 50 D HA -0.189 4.447 4.640 -0.007 0.000 0.199 50 D C 1.714 177.963 176.300 -0.086 0.000 0.984 50 D CA 1.322 55.298 54.000 -0.040 0.000 0.834 50 D CB -0.365 40.291 40.800 -0.241 0.000 0.955 50 D HN 0.326 nan 8.370 nan 0.000 0.465 51 Y N -0.199 120.160 120.300 0.098 0.000 2.293 51 Y HA -0.170 4.376 4.550 -0.006 0.000 0.291 51 Y C 2.277 178.205 175.900 0.046 0.000 1.137 51 Y CA 0.317 58.488 58.100 0.118 0.000 1.202 51 Y CB -0.899 37.736 38.460 0.292 0.000 0.990 51 Y HN 0.070 nan 8.280 nan 0.000 0.537 52 Y N -0.549 119.815 120.300 0.106 0.000 2.145 52 Y HA -0.264 4.282 4.550 -0.007 0.000 0.286 52 Y C 1.921 177.697 175.900 -0.207 0.000 1.145 52 Y CA 1.223 59.283 58.100 -0.066 0.000 1.148 52 Y CB -1.036 37.288 38.460 -0.226 0.000 0.981 52 Y HN 0.024 nan 8.280 nan 0.000 0.507 53 F N 0.397 120.088 119.950 -0.431 0.000 2.171 53 F HA -0.153 4.370 4.527 -0.006 0.000 0.300 53 F C 2.657 178.086 175.800 -0.618 0.000 1.090 53 F CA 1.522 59.159 58.000 -0.604 0.000 1.293 53 F CB -1.144 37.645 39.000 -0.353 0.000 1.013 53 F HN 0.199 nan 8.300 nan 0.000 0.486 54 A N -0.332 122.280 122.820 -0.346 0.000 1.933 54 A HA -0.165 4.151 4.320 -0.007 0.000 0.218 54 A C 2.240 179.506 177.584 -0.531 0.000 1.175 54 A CA 1.565 53.281 52.037 -0.534 0.000 0.628 54 A CB -1.016 17.432 19.000 -0.921 0.000 0.814 54 A HN 0.434 nan 8.150 nan 0.000 0.444 55 L N -1.067 119.933 121.223 -0.371 0.000 2.131 55 L HA -0.008 4.328 4.340 -0.007 0.000 0.206 55 L C 2.872 179.629 176.870 -0.189 0.000 1.087 55 L CA 1.095 55.895 54.840 -0.067 0.000 0.767 55 L CB -0.338 41.828 42.059 0.178 0.000 0.917 55 L HN 0.387 nan 8.230 nan 0.000 0.441 56 A N -0.822 121.714 122.820 -0.473 0.000 1.917 56 A HA -0.330 3.986 4.320 -0.007 0.000 0.219 56 A C 2.009 179.347 177.584 -0.409 0.000 1.182 56 A CA 2.131 53.869 52.037 -0.499 0.000 0.633 56 A CB -0.918 17.526 19.000 -0.926 0.000 0.819 56 A HN 0.567 nan 8.150 nan 0.000 0.448 57 H N -0.683 118.040 119.070 -0.578 0.000 2.495 57 H HA 0.033 4.585 4.556 -0.007 0.000 0.287 57 H C 2.076 177.049 175.328 -0.591 0.000 1.033 57 H CA 1.673 57.339 56.048 -0.636 0.000 1.307 57 H CB -0.195 29.101 29.762 -0.777 0.000 1.401 57 H HN 0.459 nan 8.280 nan 0.000 0.555 58 T N -0.901 113.516 114.554 -0.227 0.000 2.942 58 T HA -0.042 4.304 4.350 -0.007 0.000 0.265 58 T C 2.206 177.016 174.700 0.182 0.000 1.062 58 T CA 0.975 63.132 62.100 0.095 0.000 1.139 58 T CB -0.141 68.858 68.868 0.218 0.000 0.883 58 T HN 0.094 nan 8.240 nan 0.000 0.468 59 V N 1.472 121.452 119.914 0.110 0.000 2.379 59 V HA -0.054 4.062 4.120 -0.007 0.000 0.245 59 V C 2.746 178.970 176.094 0.216 0.000 1.044 59 V CA 1.162 63.564 62.300 0.169 0.000 1.036 59 V CB -0.509 31.438 31.823 0.207 0.000 0.664 59 V HN 0.275 nan 8.190 nan 0.000 0.453 60 R N 0.462 121.039 120.500 0.128 0.000 2.096 60 R HA -0.213 4.123 4.340 -0.007 0.000 0.240 60 R C 2.006 178.369 176.300 0.105 0.000 1.139 60 R CA 2.170 58.342 56.100 0.119 0.000 0.952 60 R CB -0.738 29.476 30.300 -0.143 0.000 0.854 60 R HN 0.498 nan 8.270 nan 0.000 0.436 61 D N -0.488 119.959 120.400 0.080 0.000 2.158 61 D HA -0.153 4.483 4.640 -0.007 0.000 0.197 61 D C 1.382 177.715 176.300 0.056 0.000 0.995 61 D CA 1.328 55.371 54.000 0.072 0.000 0.846 61 D CB -0.374 40.490 40.800 0.107 0.000 0.941 61 D HN 0.422 nan 8.370 nan 0.000 0.456 62 H N -0.692 118.420 119.070 0.069 0.000 2.556 62 H HA 0.179 4.731 4.556 -0.006 0.000 0.273 62 H C 1.556 176.913 175.328 0.049 0.000 1.030 62 H CA 0.222 56.303 56.048 0.055 0.000 1.156 62 H CB -0.065 29.726 29.762 0.047 0.000 1.326 62 H HN 0.182 nan 8.280 nan 0.000 0.609 63 L N -2.211 119.100 121.223 0.146 0.000 2.878 63 L HA 0.179 4.515 4.340 -0.007 0.000 0.253 63 L C 0.740 177.693 176.870 0.138 0.000 1.135 63 L CA 0.211 55.114 54.840 0.105 0.000 0.943 63 L CB 0.314 42.421 42.059 0.080 0.000 1.307 63 L HN -0.017 nan 8.230 nan 0.000 0.545 64 V N 1.102 121.109 119.914 0.155 0.000 2.453 64 V HA -0.081 4.035 4.120 -0.007 0.000 0.247 64 V C 2.760 178.950 176.094 0.159 0.000 1.048 64 V CA 1.962 64.395 62.300 0.222 0.000 1.049 64 V CB -1.119 30.795 31.823 0.152 0.000 0.672 64 V HN 0.619 nan 8.190 nan 0.000 0.457 65 G N 0.114 108.962 108.800 0.079 0.000 2.421 65 G HA2 -0.244 3.712 3.960 -0.007 0.000 0.216 65 G HA3 -0.244 3.712 3.960 -0.007 0.000 0.216 65 G C 1.767 176.694 174.900 0.045 0.000 1.171 65 G CA 0.792 45.914 45.100 0.036 0.000 0.775 65 G HN 0.426 nan 8.290 nan 0.000 0.543 66 R N -1.337 119.199 120.500 0.061 0.000 2.070 66 R HA -0.086 4.250 4.340 -0.007 0.000 0.233 66 R C 2.276 178.641 176.300 0.109 0.000 1.137 66 R CA 1.339 57.466 56.100 0.044 0.000 0.945 66 R CB -0.483 29.834 30.300 0.028 0.000 0.845 66 R HN 0.468 nan 8.270 nan 0.000 0.430 67 W N 1.704 122.968 121.300 -0.059 0.000 2.317 67 W HA -0.146 4.510 4.660 -0.006 0.000 0.318 67 W C 1.774 178.247 176.519 -0.075 0.000 1.227 67 W CA 1.143 58.449 57.345 -0.066 0.000 1.269 67 W CB -0.705 28.737 29.460 -0.030 0.000 1.155 67 W HN -0.001 nan 8.180 nan 0.000 0.484 68 I N 0.223 120.817 120.570 0.040 0.000 2.286 68 I HA -0.331 3.835 4.170 -0.007 0.000 0.248 68 I C 2.596 178.672 176.117 -0.069 0.000 1.115 68 I CA 1.493 62.729 61.300 -0.106 0.000 1.392 68 I CB -0.580 37.372 38.000 -0.080 0.000 1.065 68 I HN -0.039 nan 8.210 nan 0.000 0.418 69 R N -0.080 120.400 120.500 -0.033 0.000 2.115 69 R HA -0.073 4.263 4.340 -0.007 0.000 0.226 69 R C 2.269 178.515 176.300 -0.090 0.000 1.100 69 R CA 1.641 57.713 56.100 -0.046 0.000 0.980 69 R CB -0.381 29.888 30.300 -0.051 0.000 0.875 69 R HN 0.363 nan 8.270 nan 0.000 0.445 70 T N 1.055 115.526 114.554 -0.139 0.000 2.777 70 T HA -0.098 4.248 4.350 -0.007 0.000 0.266 70 T C 1.783 176.209 174.700 -0.456 0.000 1.040 70 T CA 0.873 62.764 62.100 -0.347 0.000 1.141 70 T CB -0.025 68.658 68.868 -0.307 0.000 0.868 70 T HN 0.144 nan 8.240 nan 0.000 0.444 71 Q N 1.021 120.688 119.800 -0.222 0.000 2.079 71 Q HA -0.081 4.255 4.340 -0.007 0.000 0.200 71 Q C 2.428 178.431 176.000 0.006 0.000 0.974 71 Q CA 1.324 57.065 55.803 -0.104 0.000 0.840 71 Q CB -0.577 28.121 28.738 -0.067 0.000 0.898 71 Q HN 0.562 nan 8.270 nan 0.000 0.430 72 Q N 0.480 120.278 119.800 -0.003 0.000 2.096 72 Q HA -0.232 4.104 4.340 -0.007 0.000 0.204 72 Q C 1.898 177.993 176.000 0.160 0.000 0.982 72 Q CA 2.212 58.058 55.803 0.072 0.000 0.850 72 Q CB -0.504 28.253 28.738 0.033 0.000 0.901 72 Q HN 0.563 nan 8.270 nan 0.000 0.422 73 H N -1.138 117.918 119.070 -0.024 0.000 2.353 73 H HA -0.149 4.403 4.556 -0.007 0.000 0.300 73 H C 1.152 176.551 175.328 0.117 0.000 1.090 73 H CA 2.140 58.188 56.048 -0.000 0.000 1.327 73 H CB -0.235 29.469 29.762 -0.097 0.000 1.383 73 H HN 0.374 nan 8.280 nan 0.000 0.508 74 Y N -0.873 119.491 120.300 0.107 0.000 2.293 74 Y HA -0.183 4.363 4.550 -0.007 0.000 0.291 74 Y C 2.361 178.279 175.900 0.030 0.000 1.137 74 Y CA 0.932 59.051 58.100 0.032 0.000 1.202 74 Y CB -1.321 37.197 38.460 0.097 0.000 0.990 74 Y HN 0.370 nan 8.280 nan 0.000 0.537 75 Y N 1.905 122.290 120.300 0.141 0.000 2.097 75 Y HA -0.284 4.262 4.550 -0.007 0.000 0.282 75 Y C 2.282 178.190 175.900 0.015 0.000 1.152 75 Y CA 2.334 60.479 58.100 0.075 0.000 1.136 75 Y CB -0.367 38.122 38.460 0.050 0.000 0.975 75 Y HN 0.377 nan 8.280 nan 0.000 0.498 76 E N -0.708 119.427 120.200 -0.109 0.000 2.170 76 E HA -0.104 4.242 4.350 -0.007 0.000 0.191 76 E C 1.954 178.420 176.600 -0.223 0.000 0.981 76 E CA 0.800 57.053 56.400 -0.244 0.000 0.830 76 E CB -0.328 29.344 29.700 -0.046 0.000 0.775 76 E HN 0.221 nan 8.360 nan 0.000 0.470 77 K N 1.512 121.792 120.400 -0.199 0.000 2.444 77 K HA -0.065 4.251 4.320 -0.007 0.000 0.193 77 K C -0.148 176.363 176.600 -0.148 0.000 1.024 77 K CA 0.314 56.480 56.287 -0.202 0.000 1.077 77 K CB -0.204 32.089 32.500 -0.344 0.000 0.833 77 K HN -0.010 nan 8.250 nan 0.000 0.517 78 D N 2.298 122.612 120.400 -0.144 0.000 2.829 78 D HA -0.147 4.489 4.640 -0.007 0.000 0.219 78 D C -2.157 174.084 176.300 -0.098 0.000 1.239 78 D CA 0.297 54.221 54.000 -0.126 0.000 0.685 78 D CB 0.037 40.725 40.800 -0.186 0.000 0.950 78 D HN 0.323 nan 8.370 nan 0.000 0.398 79 P HA 0.175 nan 4.420 nan 0.000 0.282 79 P C -0.263 176.983 177.300 -0.090 0.000 1.287 79 P CA -0.655 62.383 63.100 -0.104 0.000 0.792 79 P CB 0.679 32.286 31.700 -0.155 0.000 1.163 80 K N 0.986 121.336 120.400 -0.082 0.000 2.368 80 K HA 0.144 4.460 4.320 -0.007 0.000 0.282 80 K C 0.098 176.610 176.600 -0.146 0.000 1.035 80 K CA -0.198 56.047 56.287 -0.071 0.000 0.973 80 K CB 0.369 32.844 32.500 -0.042 0.000 0.957 80 K HN 0.219 nan 8.250 nan 0.000 0.474 81 R N 4.053 124.444 120.500 -0.182 0.000 2.643 81 R HA 0.472 4.808 4.340 -0.007 0.000 0.272 81 R C -0.223 175.791 176.300 -0.476 0.000 0.995 81 R CA -0.790 55.115 56.100 -0.324 0.000 1.032 81 R CB 0.695 30.774 30.300 -0.369 0.000 1.126 81 R HN 0.663 nan 8.270 nan 0.000 0.505 82 I N 2.256 122.498 120.570 -0.547 0.000 2.406 82 I HA 0.298 4.464 4.170 -0.007 0.000 0.290 82 I C -0.863 174.971 176.117 -0.473 0.000 0.999 82 I CA -0.794 60.159 61.300 -0.579 0.000 1.124 82 I CB 1.084 38.643 38.000 -0.735 0.000 1.289 82 I HN 0.340 nan 8.210 nan 0.000 0.441 83 Y N 5.514 125.792 120.300 -0.037 0.000 2.335 83 Y HA 0.335 4.882 4.550 -0.006 0.000 0.338 83 Y C -0.530 175.473 175.900 0.172 0.000 0.977 83 Y CA -0.683 57.511 58.100 0.157 0.000 1.114 83 Y CB 1.168 39.659 38.460 0.051 0.000 1.182 83 Y HN 0.391 nan 8.280 nan 0.000 0.463 84 Y N 4.598 125.089 120.300 0.319 0.000 2.367 84 Y HA 0.462 5.008 4.550 -0.006 0.000 0.342 84 Y C -0.942 175.212 175.900 0.423 0.000 0.979 84 Y CA -0.874 57.415 58.100 0.315 0.000 1.161 84 Y CB 0.521 39.185 38.460 0.339 0.000 1.155 84 Y HN 0.486 nan 8.280 nan 0.000 0.503 85 L N 6.034 127.281 121.223 0.040 0.000 2.264 85 L HA 0.452 4.788 4.340 -0.007 0.000 0.289 85 L C -0.082 176.816 176.870 0.047 0.000 1.044 85 L CA -0.341 54.598 54.840 0.165 0.000 0.807 85 L CB 1.166 43.283 42.059 0.098 0.000 1.192 85 L HN 0.603 nan 8.230 nan 0.000 0.425 86 S N 2.275 118.067 115.700 0.154 0.000 2.588 86 S HA 0.542 5.008 4.470 -0.007 0.000 0.275 86 S C -0.010 174.632 174.600 0.070 0.000 1.130 86 S CA -0.475 57.695 58.200 -0.050 0.000 0.855 86 S CB 1.887 64.831 63.200 -0.427 0.000 1.116 86 S HN 0.510 nan 8.310 nan 0.000 0.472 87 L N 2.094 123.394 121.223 0.128 0.000 2.640 87 L HA 0.510 4.846 4.340 -0.007 0.000 0.230 87 L C 0.225 177.218 176.870 0.205 0.000 1.123 87 L CA 0.689 55.662 54.840 0.222 0.000 0.900 87 L CB 0.085 42.299 42.059 0.259 0.000 1.146 87 L HN 0.629 nan 8.230 nan 0.000 0.484 88 E N -1.196 119.019 120.200 0.026 0.000 2.266 88 E HA 0.466 4.812 4.350 -0.007 0.000 0.268 88 E C -1.477 174.984 176.600 -0.231 0.000 0.879 88 E CA -0.571 55.845 56.400 0.026 0.000 0.762 88 E CB 2.132 31.839 29.700 0.012 0.000 1.199 88 E HN -0.195 nan 8.360 nan 0.000 0.422 89 F N 2.047 122.077 119.950 0.133 0.000 2.671 89 F HA 0.189 4.712 4.527 -0.007 0.000 0.332 89 F C -1.046 174.828 175.800 0.123 0.000 1.189 89 F CA -0.679 57.396 58.000 0.126 0.000 0.988 89 F CB 1.073 40.132 39.000 0.099 0.000 1.258 89 F HN 0.442 nan 8.300 nan 0.000 0.471 90 Y N 5.676 126.053 120.300 0.128 0.000 2.880 90 Y HA 0.271 4.817 4.550 -0.006 0.000 0.329 90 Y C 0.848 176.773 175.900 0.043 0.000 1.156 90 Y CA -1.175 56.954 58.100 0.048 0.000 1.348 90 Y CB 0.322 38.792 38.460 0.016 0.000 1.280 90 Y HN 0.554 nan 8.280 nan 0.000 0.516 91 M N 1.556 121.301 119.600 0.242 0.000 2.064 91 M HA 0.097 4.573 4.480 -0.007 0.000 0.260 91 M C 1.534 177.848 176.300 0.022 0.000 1.073 91 M CA 1.639 56.994 55.300 0.093 0.000 1.124 91 M CB -1.323 31.297 32.600 0.034 0.000 1.326 91 M HN 0.696 nan 8.290 nan 0.000 0.410 92 G N 0.373 109.197 108.800 0.039 0.000 2.545 92 G HA2 -0.182 3.774 3.960 -0.007 0.000 0.216 92 G HA3 -0.182 3.774 3.960 -0.007 0.000 0.216 92 G C -0.474 174.402 174.900 -0.040 0.000 1.314 92 G CA -0.594 44.485 45.100 -0.035 0.000 0.906 92 G HN 0.397 nan 8.290 nan 0.000 0.563 93 R N -0.465 119.986 120.500 -0.081 0.000 2.500 93 R HA 0.614 4.950 4.340 -0.007 0.000 0.277 93 R C 0.853 177.057 176.300 -0.160 0.000 1.026 93 R CA 0.100 56.163 56.100 -0.062 0.000 1.058 93 R CB 1.141 31.406 30.300 -0.058 0.000 1.078 93 R HN 0.555 nan 8.270 nan 0.000 0.509 94 T N 1.307 115.713 114.554 -0.247 0.000 3.042 94 T HA -0.035 4.311 4.350 -0.007 0.000 0.245 94 T C 1.668 176.085 174.700 -0.473 0.000 1.029 94 T CA -0.019 61.745 62.100 -0.561 0.000 1.120 94 T CB 0.034 68.173 68.868 -1.215 0.000 0.917 94 T HN 0.326 nan 8.240 nan 0.000 0.467 95 L N 1.967 123.108 121.223 -0.136 0.000 1.963 95 L HA -0.199 4.137 4.340 -0.007 0.000 0.220 95 L C 2.522 179.402 176.870 0.017 0.000 1.076 95 L CA 2.102 57.012 54.840 0.116 0.000 0.772 95 L CB -0.756 41.534 42.059 0.385 0.000 0.892 95 L HN 0.237 nan 8.230 nan 0.000 0.435 96 Q N -0.941 118.855 119.800 -0.007 0.000 2.084 96 Q HA -0.252 4.084 4.340 -0.007 0.000 0.202 96 Q C 2.234 178.188 176.000 -0.076 0.000 0.978 96 Q CA 1.934 57.718 55.803 -0.030 0.000 0.844 96 Q CB -0.345 28.363 28.738 -0.050 0.000 0.898 96 Q HN 0.737 nan 8.270 nan 0.000 0.426 97 N N -1.131 117.489 118.700 -0.134 0.000 2.120 97 N HA -0.146 4.590 4.740 -0.007 0.000 0.188 97 N C 1.364 176.794 175.510 -0.135 0.000 1.024 97 N CA 1.746 54.704 53.050 -0.153 0.000 0.852 97 N CB 0.055 38.416 38.487 -0.210 0.000 1.003 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 1.268 115.717 114.554 -0.176 0.000 2.746 98 T HA -0.079 4.267 4.350 -0.007 0.000 0.267 98 T C 2.003 176.667 174.700 -0.061 0.000 1.039 98 T CA 1.232 63.245 62.100 -0.145 0.000 1.142 98 T CB -0.104 68.645 68.868 -0.199 0.000 0.866 98 T HN 0.286 nan 8.240 nan 0.000 0.444 99 M N 0.484 120.065 119.600 -0.031 0.000 2.159 99 M HA -0.073 4.403 4.480 -0.007 0.000 0.263 99 M C 2.395 178.676 176.300 -0.032 0.000 1.063 99 M CA 1.071 56.359 55.300 -0.020 0.000 1.110 99 M CB -0.592 32.006 32.600 -0.002 0.000 1.374 99 M HN 0.079 nan 8.290 nan 0.000 0.411 100 V N 0.837 120.737 119.914 -0.023 0.000 2.270 100 V HA -0.249 3.867 4.120 -0.007 0.000 0.245 100 V C 1.867 177.977 176.094 0.027 0.000 1.043 100 V CA 1.927 64.239 62.300 0.021 0.000 1.014 100 V CB -0.719 31.123 31.823 0.032 0.000 0.645 100 V HN 0.452 nan 8.190 nan 0.000 0.447 101 N N -0.364 118.349 118.700 0.021 0.000 2.396 101 N HA -0.046 4.690 4.740 -0.007 0.000 0.180 101 N C 1.127 176.550 175.510 -0.145 0.000 1.028 101 N CA 0.713 53.759 53.050 -0.007 0.000 0.893 101 N CB -0.109 38.388 38.487 0.017 0.000 0.967 101 N HN 0.280 nan 8.380 nan 0.000 0.440 102 L N -0.333 120.826 121.223 -0.107 0.000 2.640 102 L HA 0.393 4.729 4.340 -0.007 0.000 0.230 102 L C 0.768 177.569 176.870 -0.115 0.000 1.123 102 L CA -0.043 54.737 54.840 -0.101 0.000 0.900 102 L CB -0.516 41.513 42.059 -0.050 0.000 1.146 102 L HN 0.151 nan 8.230 nan 0.000 0.484 103 A N -1.101 121.638 122.820 -0.134 0.000 2.979 103 A HA -0.216 4.100 4.320 -0.007 0.000 0.260 103 A C 1.272 178.809 177.584 -0.078 0.000 1.282 103 A CA 1.184 53.152 52.037 -0.115 0.000 0.971 103 A CB -2.022 16.901 19.000 -0.129 0.000 1.124 103 A HN 0.196 nan 8.150 nan 0.000 0.826 104 L N -0.326 120.853 121.223 -0.073 0.000 2.591 104 L HA 0.071 4.407 4.340 -0.007 0.000 0.228 104 L C 1.987 178.827 176.870 -0.050 0.000 1.133 104 L CA 1.772 56.565 54.840 -0.079 0.000 0.880 104 L CB -1.062 40.931 42.059 -0.109 0.000 1.033 104 L HN 0.759 nan 8.230 nan 0.000 0.450 105 E N 0.917 121.096 120.200 -0.034 0.000 2.049 105 E HA -0.265 4.081 4.350 -0.007 0.000 0.198 105 E C 1.535 178.126 176.600 -0.016 0.000 1.007 105 E CA 1.843 58.233 56.400 -0.018 0.000 0.809 105 E CB 0.104 29.796 29.700 -0.013 0.000 0.749 105 E HN 0.492 nan 8.360 nan 0.000 0.450 106 N N -1.112 117.577 118.700 -0.018 0.000 2.515 106 N HA 0.006 4.742 4.740 -0.007 0.000 0.185 106 N C 1.155 176.657 175.510 -0.013 0.000 1.109 106 N CA 0.369 53.411 53.050 -0.013 0.000 0.903 106 N CB 0.216 38.697 38.487 -0.010 0.000 0.969 106 N HN 0.179 nan 8.380 nan 0.000 0.450 107 A N -0.151 122.655 122.820 -0.023 0.000 1.878 107 A HA -0.055 4.261 4.320 -0.007 0.000 0.213 107 A C 2.251 179.824 177.584 -0.019 0.000 1.192 107 A CA 0.668 52.691 52.037 -0.025 0.000 0.619 107 A CB -0.663 18.310 19.000 -0.045 0.000 0.837 107 A HN 0.415 nan 8.150 nan 0.000 0.446 108 C N -0.494 118.794 119.300 -0.020 0.000 2.440 108 C HA -0.070 4.386 4.460 -0.007 0.000 0.278 108 C C 2.427 177.416 174.990 -0.001 0.000 1.295 108 C CA 1.044 60.059 59.018 -0.005 0.000 1.738 108 C CB -1.068 26.680 27.740 0.013 0.000 1.987 108 C HN 0.634 nan 8.230 nan 0.000 0.492 109 D N 0.631 121.031 120.400 0.000 0.000 2.149 109 D HA -0.145 4.491 4.640 -0.007 0.000 0.198 109 D C 2.117 178.432 176.300 0.024 0.000 0.990 109 D CA 1.480 55.481 54.000 0.001 0.000 0.839 109 D CB -0.225 40.569 40.800 -0.010 0.000 0.948 109 D HN 0.512 nan 8.370 nan 0.000 0.460 110 E N 0.433 120.648 120.200 0.024 0.000 2.015 110 E HA -0.066 4.280 4.350 -0.007 0.000 0.191 110 E C 1.920 178.536 176.600 0.027 0.000 0.991 110 E CA 1.708 58.136 56.400 0.046 0.000 0.802 110 E CB -0.604 29.109 29.700 0.022 0.000 0.759 110 E HN 0.161 nan 8.360 nan 0.000 0.447 111 A N -0.117 122.695 122.820 -0.014 0.000 1.892 111 A HA -0.242 4.074 4.320 -0.007 0.000 0.218 111 A C 2.468 179.982 177.584 -0.116 0.000 1.188 111 A CA 3.034 55.036 52.037 -0.059 0.000 0.631 111 A CB -1.532 17.437 19.000 -0.051 0.000 0.822 111 A HN 0.508 nan 8.150 nan 0.000 0.447 112 T N -3.024 111.467 114.554 -0.105 0.000 2.833 112 T HA -0.191 4.155 4.350 -0.007 0.000 0.269 112 T C 1.833 176.511 174.700 -0.038 0.000 1.054 112 T CA 1.496 63.502 62.100 -0.156 0.000 1.135 112 T CB -0.423 68.396 68.868 -0.081 0.000 0.869 112 T HN 0.445 nan 8.240 nan 0.000 0.466 113 Y N 2.207 122.432 120.300 -0.126 0.000 2.263 113 Y HA 0.104 4.650 4.550 -0.007 0.000 0.292 113 Y C 2.397 178.229 175.900 -0.113 0.000 1.130 113 Y CA 0.510 58.547 58.100 -0.104 0.000 1.179 113 Y CB -0.593 37.825 38.460 -0.070 0.000 0.998 113 Y HN 0.274 nan 8.280 nan 0.000 0.532 114 Q N -1.088 118.635 119.800 -0.129 0.000 2.369 114 Q HA -0.091 4.245 4.340 -0.007 0.000 0.206 114 Q C 1.506 177.380 176.000 -0.209 0.000 0.963 114 Q CA 0.516 56.185 55.803 -0.223 0.000 0.894 114 Q CB 0.063 28.714 28.738 -0.145 0.000 0.965 114 Q HN 0.294 nan 8.270 nan 0.000 0.475 115 L N -1.108 119.986 121.223 -0.215 0.000 2.446 115 L HA 0.162 4.498 4.340 -0.007 0.000 0.219 115 L C 0.993 177.730 176.870 -0.222 0.000 1.116 115 L CA 1.270 55.957 54.840 -0.255 0.000 0.844 115 L CB -0.263 41.531 42.059 -0.442 0.000 0.970 115 L HN 0.286 nan 8.230 nan 0.000 0.457 116 G N -0.272 108.428 108.800 -0.167 0.000 2.467 116 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.242 116 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.242 116 G C 0.477 175.337 174.900 -0.067 0.000 1.127 116 G CA 0.323 45.371 45.100 -0.087 0.000 0.924 116 G HN 0.313 nan 8.290 nan 0.000 0.499 117 L N -0.671 120.528 121.223 -0.040 0.000 2.948 117 L HA 0.343 4.679 4.340 -0.007 0.000 0.259 117 L C 0.708 177.562 176.870 -0.027 0.000 1.136 117 L CA 0.154 54.935 54.840 -0.097 0.000 0.959 117 L CB 0.367 42.298 42.059 -0.213 0.000 1.370 117 L HN 0.423 nan 8.230 nan 0.000 0.552 118 D N 1.122 121.519 120.400 -0.005 0.000 4.733 118 D HA -0.243 4.393 4.640 -0.007 0.000 0.239 118 D C 0.640 176.938 176.300 -0.004 0.000 1.075 118 D CA 0.597 54.578 54.000 -0.033 0.000 1.258 118 D CB 0.042 40.822 40.800 -0.033 0.000 0.761 118 D HN 0.270 nan 8.370 nan 0.000 0.378 119 M N 3.571 123.167 119.600 -0.008 0.000 2.117 119 M HA -0.140 4.336 4.480 -0.007 0.000 0.262 119 M C 1.755 178.075 176.300 0.033 0.000 1.065 119 M CA 1.672 56.988 55.300 0.026 0.000 1.114 119 M CB 0.027 32.636 32.600 0.015 0.000 1.361 119 M HN 0.405 nan 8.290 nan 0.000 0.408 120 E N -0.050 120.154 120.200 0.006 0.000 2.268 120 E HA -0.188 4.158 4.350 -0.007 0.000 0.195 120 E C 1.797 178.409 176.600 0.021 0.000 0.995 120 E CA 1.232 57.637 56.400 0.009 0.000 0.836 120 E CB -0.143 29.553 29.700 -0.007 0.000 0.763 120 E HN 0.701 nan 8.360 nan 0.000 0.491 121 E N 0.424 120.639 120.200 0.026 0.000 2.106 121 E HA -0.158 4.188 4.350 -0.007 0.000 0.192 121 E C 1.937 178.567 176.600 0.050 0.000 0.984 121 E CA 0.551 56.971 56.400 0.035 0.000 0.806 121 E CB 0.058 29.782 29.700 0.040 0.000 0.750 121 E HN 0.100 nan 8.360 nan 0.000 0.458 122 L N 1.392 122.666 121.223 0.085 0.000 2.056 122 L HA -0.168 4.168 4.340 -0.007 0.000 0.207 122 L C 2.030 178.959 176.870 0.098 0.000 1.078 122 L CA 1.648 56.575 54.840 0.145 0.000 0.749 122 L CB -0.414 41.780 42.059 0.226 0.000 0.901 122 L HN 0.067 nan 8.230 nan 0.000 0.433 123 E N -0.593 119.650 120.200 0.073 0.000 2.085 123 E HA -0.211 4.135 4.350 -0.007 0.000 0.194 123 E C 1.739 178.301 176.600 -0.064 0.000 0.994 123 E CA 1.045 57.460 56.400 0.025 0.000 0.801 123 E CB -0.102 29.611 29.700 0.023 0.000 0.743 123 E HN 0.415 nan 8.360 nan 0.000 0.453 124 E N 0.257 120.433 120.200 -0.040 0.000 2.510 124 E HA -0.115 4.231 4.350 -0.007 0.000 0.202 124 E C 1.569 178.104 176.600 -0.108 0.000 1.072 124 E CA 0.610 56.982 56.400 -0.046 0.000 0.883 124 E CB 0.056 29.759 29.700 0.006 0.000 0.818 124 E HN 0.452 nan 8.360 nan 0.000 0.548 125 I N 0.417 120.858 120.570 -0.215 0.000 3.860 125 I HA 0.015 4.181 4.170 -0.007 0.000 0.319 125 I C 1.038 176.852 176.117 -0.506 0.000 1.279 125 I CA -0.034 61.088 61.300 -0.296 0.000 1.220 125 I CB 0.186 38.025 38.000 -0.270 0.000 1.027 125 I HN -0.057 nan 8.210 nan 0.000 0.428 126 E N 2.539 122.397 120.200 -0.569 0.000 2.313 126 E HA 0.110 4.456 4.350 -0.007 0.000 0.276 126 E C -0.366 176.140 176.600 -0.156 0.000 1.031 126 E CA -0.175 55.901 56.400 -0.539 0.000 0.857 126 E CB 0.891 30.359 29.700 -0.387 0.000 1.040 126 E HN 0.164 nan 8.360 nan 0.000 0.408 127 E N 2.676 122.871 120.200 -0.008 0.000 2.216 127 E HA 0.108 4.454 4.350 -0.007 0.000 0.279 127 E C -1.183 175.522 176.600 0.175 0.000 0.997 127 E CA -0.708 55.761 56.400 0.116 0.000 0.817 127 E CB 0.941 30.769 29.700 0.213 0.000 1.096 127 E HN 0.437 nan 8.360 nan 0.000 0.393 128 D N 1.575 122.054 120.400 0.131 0.000 2.472 128 D HA 0.124 4.760 4.640 -0.007 0.000 0.237 128 D C -0.654 175.717 176.300 0.118 0.000 1.141 128 D CA 0.328 54.390 54.000 0.104 0.000 0.875 128 D CB 0.710 41.556 40.800 0.077 0.000 1.192 128 D HN 0.379 nan 8.370 nan 0.000 0.450 129 A N 2.009 124.852 122.820 0.038 0.000 2.506 129 A HA 0.515 4.831 4.320 -0.007 0.000 0.320 129 A C 0.859 178.315 177.584 -0.214 0.000 1.424 129 A CA -0.537 51.337 52.037 -0.272 0.000 1.044 129 A CB -0.071 18.818 19.000 -0.184 0.000 1.140 129 A HN 0.557 nan 8.150 nan 0.000 0.538 130 G N 1.981 110.607 108.800 -0.291 0.000 3.860 130 G HA2 0.429 4.385 3.960 -0.007 0.000 0.269 130 G HA3 0.429 4.385 3.960 -0.007 0.000 0.269 130 G C 0.005 174.661 174.900 -0.407 0.000 1.112 130 G CA -0.214 44.756 45.100 -0.217 0.000 1.674 130 G HN 0.505 nan 8.290 nan 0.000 0.628 131 L N 1.971 123.011 121.223 -0.305 0.000 2.919 131 L HA 0.439 4.775 4.340 -0.007 0.000 0.242 131 L C 1.060 177.853 176.870 -0.127 0.000 1.366 131 L CA -0.355 54.412 54.840 -0.122 0.000 1.212 131 L CB -0.437 41.627 42.059 0.008 0.000 1.604 131 L HN 0.342 nan 8.230 nan 0.000 0.433 132 G N -1.610 106.888 108.800 -0.503 0.000 2.646 132 G HA2 0.241 4.197 3.960 -0.007 0.000 0.291 132 G HA3 0.241 4.197 3.960 -0.007 0.000 0.291 132 G C 0.174 174.616 174.900 -0.763 0.000 1.445 132 G CA -0.495 44.277 45.100 -0.547 0.000 0.814 132 G HN -0.042 nan 8.290 nan 0.000 0.495 133 N N -0.833 117.660 118.700 -0.345 0.000 2.508 133 N HA 0.240 4.976 4.740 -0.007 0.000 0.186 133 N C 1.125 176.657 175.510 0.036 0.000 1.034 133 N CA 1.290 54.234 53.050 -0.175 0.000 0.885 133 N CB 1.154 39.627 38.487 -0.024 0.000 1.135 133 N HN 0.809 nan 8.380 nan 0.000 0.435 134 G N -0.962 107.942 108.800 0.173 0.000 2.899 134 G HA2 0.304 4.260 3.960 -0.007 0.000 0.137 134 G HA3 0.304 4.260 3.960 -0.007 0.000 0.137 134 G C 0.604 175.639 174.900 0.225 0.000 1.198 134 G CA 0.270 45.535 45.100 0.275 0.000 1.126 134 G HN 0.166 nan 8.290 nan 0.000 0.589 135 G N 0.082 108.951 108.800 0.115 0.000 2.422 135 G HA2 -0.007 3.949 3.960 -0.007 0.000 0.218 135 G HA3 -0.007 3.949 3.960 -0.007 0.000 0.218 135 G C 1.851 176.756 174.900 0.009 0.000 1.146 135 G CA 1.429 46.556 45.100 0.046 0.000 0.769 135 G HN 0.614 nan 8.290 nan 0.000 0.547 136 L N 0.980 122.189 121.223 -0.024 0.000 2.012 136 L HA 0.069 4.405 4.340 -0.007 0.000 0.210 136 L C 2.752 179.576 176.870 -0.076 0.000 1.073 136 L CA 2.342 57.092 54.840 -0.149 0.000 0.748 136 L CB -0.508 41.424 42.059 -0.212 0.000 0.891 136 L HN 0.176 nan 8.230 nan 0.000 0.431 137 G N -1.554 107.258 108.800 0.020 0.000 2.464 137 G HA2 -0.164 3.792 3.960 -0.007 0.000 0.217 137 G HA3 -0.164 3.792 3.960 -0.007 0.000 0.217 137 G C 1.702 176.673 174.900 0.119 0.000 1.138 137 G CA 0.035 45.160 45.100 0.041 0.000 0.793 137 G HN 0.145 nan 8.290 nan 0.000 0.539 138 R N -0.046 120.546 120.500 0.152 0.000 2.115 138 R HA 0.086 4.422 4.340 -0.007 0.000 0.230 138 R C 2.410 178.706 176.300 -0.008 0.000 1.111 138 R CA 0.604 56.757 56.100 0.088 0.000 0.976 138 R CB -0.729 29.568 30.300 -0.005 0.000 0.870 138 R HN 0.420 nan 8.270 nan 0.000 0.445 139 L N 0.666 121.819 121.223 -0.118 0.000 2.012 139 L HA -0.107 4.229 4.340 -0.007 0.000 0.210 139 L C 2.222 178.792 176.870 -0.500 0.000 1.073 139 L CA 2.248 56.874 54.840 -0.357 0.000 0.748 139 L CB -0.754 41.062 42.059 -0.405 0.000 0.891 139 L HN 0.153 nan 8.230 nan 0.000 0.431 140 A N -0.673 121.972 122.820 -0.292 0.000 1.933 140 A HA -0.127 4.189 4.320 -0.007 0.000 0.218 140 A C 2.404 180.034 177.584 0.077 0.000 1.175 140 A CA 1.841 53.774 52.037 -0.173 0.000 0.628 140 A CB -1.124 17.792 19.000 -0.141 0.000 0.814 140 A HN 0.576 nan 8.150 nan 0.000 0.444 141 A N -1.551 121.354 122.820 0.142 0.000 1.968 141 A HA -0.075 4.240 4.320 -0.007 0.000 0.217 141 A C 2.213 179.875 177.584 0.131 0.000 1.169 141 A CA 1.457 53.608 52.037 0.191 0.000 0.638 141 A CB -1.016 18.090 19.000 0.177 0.000 0.812 141 A HN 0.572 nan 8.150 nan 0.000 0.446 142 C N -1.622 117.754 119.300 0.126 0.000 2.450 142 C HA 0.038 4.494 4.460 -0.007 0.000 0.279 142 C C 2.339 177.485 174.990 0.261 0.000 1.335 142 C CA 0.318 59.447 59.018 0.185 0.000 1.749 142 C CB -1.486 26.381 27.740 0.212 0.000 1.963 142 C HN 0.616 nan 8.230 nan 0.000 0.501 143 F N 0.592 120.512 119.950 -0.050 0.000 2.102 143 F HA -0.062 4.461 4.527 -0.007 0.000 0.298 143 F C 2.107 177.844 175.800 -0.105 0.000 1.105 143 F CA 1.045 58.964 58.000 -0.136 0.000 1.239 143 F CB -1.374 37.405 39.000 -0.368 0.000 0.991 143 F HN 0.072 nan 8.300 nan 0.000 0.474 144 L N 0.477 121.773 121.223 0.121 0.000 2.013 144 L HA -0.280 4.056 4.340 -0.007 0.000 0.212 144 L C 2.191 179.073 176.870 0.019 0.000 1.073 144 L CA 2.256 57.125 54.840 0.048 0.000 0.753 144 L CB -1.213 40.877 42.059 0.052 0.000 0.890 144 L HN 0.156 nan 8.230 nan 0.000 0.432 145 D N -1.774 118.646 120.400 0.033 0.000 2.097 145 D HA -0.165 4.471 4.640 -0.007 0.000 0.195 145 D C 2.072 178.384 176.300 0.020 0.000 0.989 145 D CA 1.416 55.422 54.000 0.010 0.000 0.827 145 D CB 0.113 40.919 40.800 0.010 0.000 0.966 145 D HN 0.231 nan 8.370 nan 0.000 0.456 146 S N -0.669 115.055 115.700 0.039 0.000 2.447 146 S HA -0.055 4.411 4.470 -0.007 0.000 0.233 146 S C 1.882 176.484 174.600 0.004 0.000 1.006 146 S CA 0.632 58.844 58.200 0.020 0.000 0.957 146 S CB -0.171 63.042 63.200 0.021 0.000 0.773 146 S HN 0.368 nan 8.310 nan 0.000 0.507 147 M N 0.731 120.329 119.600 -0.004 0.000 2.349 147 M HA 0.040 4.516 4.480 -0.007 0.000 0.266 147 M C 2.383 178.683 176.300 0.000 0.000 1.076 147 M CA 0.978 56.276 55.300 -0.004 0.000 1.126 147 M CB -0.379 32.205 32.600 -0.026 0.000 1.392 147 M HN 0.387 nan 8.290 nan 0.000 0.440 148 A N -0.019 122.800 122.820 -0.002 0.000 1.874 148 A HA -0.079 4.237 4.320 -0.007 0.000 0.214 148 A C 2.126 179.723 177.584 0.022 0.000 1.189 148 A CA 1.716 53.755 52.037 0.004 0.000 0.615 148 A CB -1.012 17.977 19.000 -0.018 0.000 0.830 148 A HN 0.371 nan 8.150 nan 0.000 0.443 149 T N 0.579 115.150 114.554 0.028 0.000 2.977 149 T HA -0.004 4.342 4.350 -0.007 0.000 0.271 149 T C 1.130 175.854 174.700 0.040 0.000 1.105 149 T CA 1.058 63.185 62.100 0.045 0.000 1.116 149 T CB -0.297 68.602 68.868 0.052 0.000 0.878 149 T HN 0.343 nan 8.240 nan 0.000 0.509 150 L N 0.354 121.598 121.223 0.034 0.000 2.818 150 L HA 0.351 4.687 4.340 -0.007 0.000 0.243 150 L C 1.430 178.326 176.870 0.043 0.000 1.185 150 L CA -0.345 54.517 54.840 0.037 0.000 0.988 150 L CB -0.420 41.660 42.059 0.035 0.000 1.292 150 L HN 0.300 nan 8.230 nan 0.000 0.519 151 G N 1.492 110.321 108.800 0.049 0.000 2.371 151 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.299 151 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.299 151 G C -0.308 174.628 174.900 0.059 0.000 1.014 151 G CA 0.053 45.199 45.100 0.077 0.000 1.097 151 G HN 0.129 nan 8.290 nan 0.000 0.512 152 L N -0.030 121.199 121.223 0.011 0.000 2.360 152 L HA 0.765 5.101 4.340 -0.007 0.000 0.271 152 L C 0.971 177.726 176.870 -0.191 0.000 1.057 152 L CA -0.459 54.341 54.840 -0.067 0.000 0.803 152 L CB 1.550 43.589 42.059 -0.033 0.000 1.207 152 L HN 0.508 nan 8.230 nan 0.000 0.445 153 A N 2.496 125.061 122.820 -0.425 0.000 2.990 153 A HA 0.660 4.976 4.320 -0.007 0.000 0.282 153 A C 0.165 177.452 177.584 -0.496 0.000 1.688 153 A CA -0.014 51.557 52.037 -0.778 0.000 1.391 153 A CB -0.938 17.487 19.000 -0.957 0.000 1.112 153 A HN 0.691 nan 8.150 nan 0.000 0.588 154 A N 1.356 123.943 122.820 -0.389 0.000 2.354 154 A HA 0.874 5.190 4.320 -0.007 0.000 0.321 154 A C -1.106 176.314 177.584 -0.274 0.000 1.125 154 A CA -0.463 51.411 52.037 -0.271 0.000 0.799 154 A CB 0.910 19.806 19.000 -0.173 0.000 1.293 154 A HN 0.605 nan 8.150 nan 0.000 0.452 155 Y N -0.656 119.635 120.300 -0.016 0.000 2.492 155 Y HA 0.580 5.126 4.550 -0.006 0.000 0.346 155 Y C 0.601 176.629 175.900 0.213 0.000 0.997 155 Y CA -0.532 57.624 58.100 0.094 0.000 1.025 155 Y CB 2.569 41.190 38.460 0.269 0.000 1.263 155 Y HN 0.884 nan 8.280 nan 0.000 0.454 156 G N 1.510 110.450 108.800 0.233 0.000 2.417 156 G HA2 0.536 4.492 3.960 -0.007 0.000 0.320 156 G HA3 0.536 4.492 3.960 -0.007 0.000 0.320 156 G C -2.032 172.972 174.900 0.172 0.000 1.204 156 G CA -0.437 44.873 45.100 0.351 0.000 0.923 156 G HN 0.436 nan 8.290 nan 0.000 0.466 157 Y N 0.842 121.389 120.300 0.411 0.000 2.393 157 Y HA 0.697 5.243 4.550 -0.007 0.000 0.341 157 Y C 0.802 177.008 175.900 0.511 0.000 0.988 157 Y CA 0.230 58.512 58.100 0.303 0.000 1.078 157 Y CB 2.724 41.382 38.460 0.329 0.000 1.203 157 Y HN 0.863 nan 8.280 nan 0.000 0.453 158 G N 2.139 111.249 108.800 0.518 0.000 2.650 158 G HA2 0.594 4.550 3.960 -0.007 0.000 0.310 158 G HA3 0.594 4.550 3.960 -0.007 0.000 0.310 158 G C -1.802 173.299 174.900 0.334 0.000 1.270 158 G CA -0.828 44.606 45.100 0.557 0.000 0.810 158 G HN 0.459 nan 8.290 nan 0.000 0.493 159 I N 0.266 120.907 120.570 0.119 0.000 2.562 159 I HA 0.470 4.636 4.170 -0.007 0.000 0.301 159 I C 0.203 176.192 176.117 -0.214 0.000 1.003 159 I CA -0.844 60.453 61.300 -0.004 0.000 1.127 159 I CB 2.261 40.118 38.000 -0.238 0.000 1.304 159 I HN 0.334 nan 8.210 nan 0.000 0.446 160 R N 5.145 125.631 120.500 -0.023 0.000 2.296 160 R HA 0.275 4.611 4.340 -0.007 0.000 0.327 160 R C -1.479 174.867 176.300 0.076 0.000 1.137 160 R CA -0.423 55.693 56.100 0.026 0.000 1.020 160 R CB 0.141 30.450 30.300 0.016 0.000 1.110 160 R HN 0.393 nan 8.270 nan 0.000 0.499 161 Y N 1.831 122.277 120.300 0.242 0.000 2.346 161 Y HA 0.027 4.573 4.550 -0.007 0.000 0.330 161 Y C 1.404 177.459 175.900 0.258 0.000 1.178 161 Y CA -0.232 58.002 58.100 0.224 0.000 1.331 161 Y CB 1.084 39.652 38.460 0.180 0.000 1.253 161 Y HN 0.580 nan 8.280 nan 0.000 0.529 162 E N 1.485 121.865 120.200 0.300 0.000 2.208 162 E HA -0.020 4.326 4.350 -0.007 0.000 0.193 162 E C -0.780 175.711 176.600 -0.181 0.000 0.988 162 E CA 0.786 57.163 56.400 -0.037 0.000 0.828 162 E CB 0.176 29.717 29.700 -0.266 0.000 0.763 162 E HN 0.372 nan 8.360 nan 0.000 0.478 163 F N -0.679 119.481 119.950 0.350 0.000 2.540 163 F HA 0.456 4.979 4.527 -0.007 0.000 0.317 163 F C 0.802 176.694 175.800 0.153 0.000 1.104 163 F CA -0.927 57.243 58.000 0.283 0.000 0.913 163 F CB 1.877 40.973 39.000 0.160 0.000 1.170 163 F HN -0.186 nan 8.300 nan 0.000 0.450 164 G N 2.032 110.930 108.800 0.164 0.000 2.773 164 G HA2 0.341 4.297 3.960 -0.007 0.000 0.186 164 G HA3 0.341 4.297 3.960 -0.007 0.000 0.186 164 G C -0.442 174.416 174.900 -0.071 0.000 1.411 164 G CA -0.612 44.441 45.100 -0.079 0.000 1.054 164 G HN 0.504 nan 8.290 nan 0.000 0.579 165 I N 1.626 122.084 120.570 -0.187 0.000 2.692 165 I HA 0.196 4.362 4.170 -0.007 0.000 0.284 165 I C 0.535 176.568 176.117 -0.139 0.000 1.159 165 I CA -0.568 60.592 61.300 -0.234 0.000 1.423 165 I CB 0.419 38.187 38.000 -0.386 0.000 1.380 165 I HN 0.358 nan 8.210 nan 0.000 0.580 166 F N 6.798 126.756 119.950 0.013 0.000 2.535 166 F HA 0.216 4.740 4.527 -0.006 0.000 0.332 166 F C 0.375 176.221 175.800 0.077 0.000 1.208 166 F CA -0.580 57.448 58.000 0.048 0.000 1.330 166 F CB -0.259 38.758 39.000 0.028 0.000 1.167 166 F HN 0.370 nan 8.300 nan 0.000 0.597 167 N N 1.341 120.260 118.700 0.364 0.000 2.438 167 N HA 0.117 4.853 4.740 -0.007 0.000 0.282 167 N C -1.111 174.645 175.510 0.411 0.000 1.037 167 N CA -0.497 52.717 53.050 0.274 0.000 0.942 167 N CB 1.607 40.229 38.487 0.226 0.000 1.136 167 N HN 0.737 nan 8.380 nan 0.000 0.481 168 Q N 1.911 121.930 119.800 0.365 0.000 2.243 168 Q HA 0.291 4.627 4.340 -0.007 0.000 0.252 168 Q C -1.024 175.133 176.000 0.262 0.000 0.909 168 Q CA -0.478 55.562 55.803 0.394 0.000 0.922 168 Q CB 0.954 29.927 28.738 0.391 0.000 1.215 168 Q HN 0.335 nan 8.270 nan 0.000 0.427 169 K N 3.668 124.192 120.400 0.206 0.000 2.422 169 K HA 0.472 4.788 4.320 -0.007 0.000 0.251 169 K C -1.912 174.770 176.600 0.136 0.000 0.933 169 K CA -0.588 55.797 56.287 0.164 0.000 0.798 169 K CB 1.452 34.034 32.500 0.138 0.000 1.238 169 K HN 0.574 nan 8.250 nan 0.000 0.428 170 I N 2.899 123.536 120.570 0.111 0.000 2.460 170 I HA 0.454 4.620 4.170 -0.007 0.000 0.298 170 I C -1.040 175.118 176.117 0.068 0.000 0.989 170 I CA -0.144 61.196 61.300 0.067 0.000 1.173 170 I CB 1.622 39.632 38.000 0.017 0.000 1.338 170 I HN 0.660 nan 8.210 nan 0.000 0.456 171 C N 4.509 123.858 119.300 0.081 0.000 2.516 171 C HA 0.613 5.069 4.460 -0.007 0.000 0.338 171 C C 0.807 175.871 174.990 0.123 0.000 1.132 171 C CA -0.475 58.597 59.018 0.089 0.000 1.310 171 C CB 0.574 28.370 27.740 0.094 0.000 1.898 171 C HN 1.062 nan 8.230 nan 0.000 0.452 172 G N 2.086 110.931 108.800 0.074 0.000 2.168 172 G HA2 0.118 4.074 3.960 -0.007 0.000 0.257 172 G HA3 0.118 4.074 3.960 -0.007 0.000 0.257 172 G C 1.086 175.910 174.900 -0.127 0.000 0.997 172 G CA 1.066 46.211 45.100 0.075 0.000 0.708 172 G HN 2.531 nan 8.290 nan 0.000 0.520 173 G N -2.731 105.957 108.800 -0.187 0.000 2.159 173 G HA2 -0.280 3.676 3.960 -0.007 0.000 0.256 173 G HA3 -0.280 3.676 3.960 -0.007 0.000 0.256 173 G C 0.273 174.852 174.900 -0.535 0.000 0.977 173 G CA 0.693 45.551 45.100 -0.403 0.000 0.652 173 G HN 1.243 nan 8.290 nan 0.000 0.531 174 W N 0.288 121.528 121.300 -0.100 0.000 2.627 174 W HA 0.664 5.320 4.660 -0.006 0.000 0.339 174 W C 0.511 176.981 176.519 -0.082 0.000 1.058 174 W CA -1.057 56.229 57.345 -0.097 0.000 1.223 174 W CB 1.043 30.462 29.460 -0.067 0.000 1.389 174 W HN 0.202 nan 8.180 nan 0.000 0.541 175 Q N 2.956 122.858 119.800 0.169 0.000 2.304 175 Q HA 0.264 4.600 4.340 -0.007 0.000 0.260 175 Q C -0.634 175.419 176.000 0.088 0.000 0.965 175 Q CA 0.127 55.996 55.803 0.109 0.000 0.898 175 Q CB 0.617 29.418 28.738 0.105 0.000 1.196 175 Q HN 0.306 nan 8.270 nan 0.000 0.402 176 M N 4.213 123.855 119.600 0.070 0.000 2.253 176 M HA 0.301 4.777 4.480 -0.007 0.000 0.314 176 M C -0.996 175.305 176.300 0.000 0.000 1.019 176 M CA -0.622 54.691 55.300 0.022 0.000 0.932 176 M CB 1.728 34.357 32.600 0.049 0.000 1.606 176 M HN 0.628 nan 8.290 nan 0.000 0.430 177 E N 2.631 122.757 120.200 -0.123 0.000 2.191 177 E HA 0.575 4.921 4.350 -0.007 0.000 0.278 177 E C -0.863 175.706 176.600 -0.052 0.000 0.972 177 E CA -0.443 55.839 56.400 -0.197 0.000 0.804 177 E CB 1.890 31.097 29.700 -0.822 0.000 1.110 177 E HN 0.541 nan 8.360 nan 0.000 0.394 178 E N 0.521 120.777 120.200 0.094 0.000 2.320 178 E HA 0.601 4.947 4.350 -0.007 0.000 0.264 178 E C -0.849 175.830 176.600 0.132 0.000 0.923 178 E CA -1.224 55.225 56.400 0.082 0.000 0.796 178 E CB 2.156 31.922 29.700 0.110 0.000 1.262 178 E HN 0.635 nan 8.360 nan 0.000 0.428 179 A N 1.011 123.879 122.820 0.081 0.000 2.332 179 A HA 0.188 4.504 4.320 -0.007 0.000 0.258 179 A C -0.432 177.304 177.584 0.253 0.000 1.087 179 A CA -0.199 51.899 52.037 0.101 0.000 0.802 179 A CB 0.395 19.319 19.000 -0.127 0.000 1.042 179 A HN 0.584 nan 8.150 nan 0.000 0.489 180 D N 0.580 121.204 120.400 0.374 0.000 2.443 180 D HA 0.207 4.843 4.640 -0.007 0.000 0.221 180 D C -0.950 175.670 176.300 0.533 0.000 1.097 180 D CA -0.169 54.055 54.000 0.373 0.000 0.865 180 D CB 0.627 41.593 40.800 0.277 0.000 1.034 180 D HN 0.325 nan 8.370 nan 0.000 0.511 181 D N 4.668 125.334 120.400 0.443 0.000 2.631 181 D HA 0.011 4.647 4.640 -0.007 0.000 0.227 181 D C 0.951 177.410 176.300 0.264 0.000 1.146 181 D CA -0.464 53.761 54.000 0.375 0.000 1.009 181 D CB 0.039 41.017 40.800 0.296 0.000 1.057 181 D HN 0.628 nan 8.370 nan 0.000 0.509 182 W N 2.240 123.587 121.300 0.079 0.000 2.584 182 W HA 0.011 4.667 4.660 -0.007 0.000 0.264 182 W C 0.414 176.981 176.519 0.080 0.000 1.264 182 W CA -0.047 57.355 57.345 0.096 0.000 1.306 182 W CB -0.702 28.815 29.460 0.095 0.000 1.110 182 W HN 0.126 nan 8.180 nan 0.000 0.606 183 L N 1.300 122.096 121.223 -0.711 0.000 2.612 183 L HA 0.172 4.508 4.340 -0.007 0.000 0.230 183 L C 2.732 179.414 176.870 -0.313 0.000 1.140 183 L CA 0.045 54.446 54.840 -0.732 0.000 0.896 183 L CB -0.617 40.926 42.059 -0.860 0.000 1.065 183 L HN -0.095 nan 8.230 nan 0.000 0.447 184 R N 0.117 120.507 120.500 -0.183 0.000 2.117 184 R HA -0.220 4.116 4.340 -0.007 0.000 0.243 184 R C 1.080 177.186 176.300 -0.322 0.000 1.143 184 R CA 1.957 57.913 56.100 -0.240 0.000 0.968 184 R CB -0.045 30.114 30.300 -0.235 0.000 0.863 184 R HN 0.332 nan 8.270 nan 0.000 0.444 185 Y N -0.980 119.325 120.300 0.007 0.000 2.531 185 Y HA 0.365 4.911 4.550 -0.007 0.000 0.249 185 Y C 0.630 176.500 175.900 -0.050 0.000 1.168 185 Y CA 0.357 58.468 58.100 0.017 0.000 1.226 185 Y CB 1.460 40.038 38.460 0.197 0.000 1.177 185 Y HN 0.338 nan 8.280 nan 0.000 0.527 186 G N 1.249 110.074 108.800 0.041 0.000 2.555 186 G HA2 -0.185 3.771 3.960 -0.007 0.000 0.686 186 G HA3 -0.185 3.771 3.960 -0.007 0.000 0.686 186 G C -1.238 173.720 174.900 0.096 0.000 1.275 186 G CA -0.776 44.315 45.100 -0.016 0.000 0.871 186 G HN 0.252 nan 8.290 nan 0.000 0.603 187 N N 0.929 119.663 118.700 0.057 0.000 2.581 187 N HA 0.462 5.198 4.740 -0.007 0.000 0.279 187 N C -1.844 173.716 175.510 0.083 0.000 1.124 187 N CA -1.607 51.508 53.050 0.108 0.000 0.833 187 N CB 2.259 40.750 38.487 0.007 0.000 1.338 187 N HN 0.327 nan 8.380 nan 0.000 0.533 188 P HA 0.044 nan 4.420 nan 0.000 0.249 188 P C 0.093 177.221 177.300 -0.286 0.000 1.241 188 P CA 0.291 63.293 63.100 -0.164 0.000 0.781 188 P CB -0.094 31.395 31.700 -0.352 0.000 1.088 189 W N 1.437 122.842 121.300 0.175 0.000 2.735 189 W HA 0.094 4.750 4.660 -0.006 0.000 0.264 189 W C 1.333 177.918 176.519 0.110 0.000 1.233 189 W CA -0.368 57.041 57.345 0.106 0.000 1.408 189 W CB 0.006 29.515 29.460 0.081 0.000 1.038 189 W HN -0.068 nan 8.180 nan 0.000 0.603 190 E N 1.769 122.171 120.200 0.336 0.000 2.345 190 E HA 0.318 4.664 4.350 -0.007 0.000 0.259 190 E C -0.592 176.193 176.600 0.307 0.000 1.117 190 E CA -0.549 56.042 56.400 0.318 0.000 0.913 190 E CB 1.124 31.016 29.700 0.320 0.000 1.057 190 E HN -0.341 nan 8.360 nan 0.000 0.432 191 K N 0.764 121.362 120.400 0.329 0.000 2.613 191 K HA 0.417 4.733 4.320 -0.007 0.000 0.248 191 K C -1.310 175.379 176.600 0.147 0.000 0.959 191 K CA -0.399 56.031 56.287 0.237 0.000 0.855 191 K CB 1.538 34.206 32.500 0.280 0.000 1.143 191 K HN 0.671 nan 8.250 nan 0.000 0.437 192 A N 3.790 126.625 122.820 0.024 0.000 2.407 192 A HA 0.500 4.816 4.320 -0.007 0.000 0.248 192 A C -0.309 177.143 177.584 -0.220 0.000 1.082 192 A CA -0.251 51.561 52.037 -0.374 0.000 0.785 192 A CB 0.313 19.038 19.000 -0.458 0.000 1.020 192 A HN 0.649 nan 8.150 nan 0.000 0.489 193 R N 2.493 122.853 120.500 -0.233 0.000 2.681 193 R HA 0.215 4.551 4.340 -0.007 0.000 0.277 193 R C -2.445 173.811 176.300 -0.072 0.000 1.563 193 R CA -1.571 54.509 56.100 -0.034 0.000 1.673 193 R CB 0.891 31.325 30.300 0.224 0.000 1.258 193 R HN 0.579 nan 8.270 nan 0.000 0.650 194 P HA -0.097 nan 4.420 nan 0.000 0.228 194 P C 0.183 177.392 177.300 -0.152 0.000 1.151 194 P CA 0.873 63.907 63.100 -0.110 0.000 0.770 194 P CB 0.554 32.192 31.700 -0.103 0.000 0.786 195 E N -0.618 119.383 120.200 -0.332 0.000 2.338 195 E HA -0.082 4.264 4.350 -0.007 0.000 0.197 195 E C 0.453 176.714 176.600 -0.566 0.000 1.007 195 E CA 0.940 57.011 56.400 -0.548 0.000 0.849 195 E CB -0.746 28.381 29.700 -0.956 0.000 0.774 195 E HN 0.397 nan 8.360 nan 0.000 0.506 196 F N 0.257 120.224 119.950 0.028 0.000 2.908 196 F HA 0.274 4.797 4.527 -0.007 0.000 0.328 196 F C 0.137 176.020 175.800 0.139 0.000 1.211 196 F CA -0.606 57.440 58.000 0.077 0.000 1.291 196 F CB 0.078 39.128 39.000 0.085 0.000 0.962 196 F HN -0.329 nan 8.300 nan 0.000 0.505 197 T N 2.587 117.259 114.554 0.196 0.000 2.919 197 T HA 0.400 4.746 4.350 -0.007 0.000 0.302 197 T C -0.265 174.527 174.700 0.153 0.000 1.031 197 T CA 0.161 62.381 62.100 0.200 0.000 1.127 197 T CB 1.011 69.953 68.868 0.122 0.000 0.952 197 T HN -0.109 nan 8.240 nan 0.000 0.540 198 L N 4.830 126.111 121.223 0.096 0.000 2.370 198 L HA 0.590 4.926 4.340 -0.007 0.000 0.266 198 L C -2.186 174.648 176.870 -0.060 0.000 1.002 198 L CA -2.545 52.290 54.840 -0.008 0.000 0.818 198 L CB 1.936 43.919 42.059 -0.127 0.000 1.325 198 L HN 0.391 nan 8.230 nan 0.000 0.418 199 P HA 0.408 nan 4.420 nan 0.000 0.282 199 P C -1.221 175.939 177.300 -0.233 0.000 1.259 199 P CA -0.391 62.621 63.100 -0.147 0.000 0.826 199 P CB 2.094 33.681 31.700 -0.189 0.000 1.064 200 V N 2.235 121.998 119.914 -0.252 0.000 2.789 200 V HA 0.337 4.453 4.120 -0.007 0.000 0.311 200 V C -0.139 175.735 176.094 -0.368 0.000 1.073 200 V CA -0.612 61.524 62.300 -0.273 0.000 0.921 200 V CB 1.952 33.673 31.823 -0.168 0.000 1.009 200 V HN 0.621 nan 8.190 nan 0.000 0.426 201 H N 3.006 121.883 119.070 -0.321 0.000 2.492 201 H HA 0.611 5.163 4.556 -0.007 0.000 0.345 201 H C -1.428 173.566 175.328 -0.556 0.000 1.136 201 H CA -0.192 55.590 56.048 -0.443 0.000 1.202 201 H CB 1.995 31.281 29.762 -0.792 0.000 1.524 201 H HN 0.441 nan 8.280 nan 0.000 0.506 202 F N 0.892 120.796 119.950 -0.076 0.000 2.588 202 F HA 0.231 4.754 4.527 -0.007 0.000 0.314 202 F C -0.255 175.534 175.800 -0.019 0.000 1.069 202 F CA -0.363 57.556 58.000 -0.134 0.000 0.931 202 F CB 0.920 39.781 39.000 -0.232 0.000 1.260 202 F HN 0.596 nan 8.300 nan 0.000 0.465 203 Y N 0.234 120.761 120.300 0.378 0.000 2.910 203 Y HA 0.080 4.626 4.550 -0.007 0.000 0.465 203 Y C 1.069 177.181 175.900 0.353 0.000 1.207 203 Y CA 0.346 58.616 58.100 0.284 0.000 2.473 203 Y CB -1.871 36.683 38.460 0.157 0.000 1.242 203 Y HN 1.294 nan 8.280 nan 0.000 0.634 204 G N 0.198 109.241 108.800 0.406 0.000 2.631 204 G HA2 0.325 4.281 3.960 -0.007 0.000 0.504 204 G HA3 0.325 4.281 3.960 -0.007 0.000 0.504 204 G C -1.021 174.079 174.900 0.334 0.000 1.306 204 G CA -0.103 45.173 45.100 0.293 0.000 0.897 204 G HN 1.186 nan 8.290 nan 0.000 0.520 205 R N -2.225 118.452 120.500 0.294 0.000 2.869 205 R HA 0.828 5.164 4.340 -0.007 0.000 0.263 205 R C -1.273 175.151 176.300 0.206 0.000 1.066 205 R CA -1.078 55.142 56.100 0.200 0.000 0.960 205 R CB 1.728 32.103 30.300 0.126 0.000 1.221 205 R HN 0.817 nan 8.270 nan 0.000 0.474 206 V N 0.603 120.572 119.914 0.092 0.000 2.407 206 V HA 0.315 4.431 4.120 -0.007 0.000 0.291 206 V C -0.579 175.506 176.094 -0.016 0.000 1.018 206 V CA -0.612 61.684 62.300 -0.007 0.000 0.842 206 V CB 1.271 33.036 31.823 -0.096 0.000 0.996 206 V HN 0.779 nan 8.190 nan 0.000 0.426 207 E N 3.883 124.054 120.200 -0.047 0.000 2.109 207 E HA 0.304 4.650 4.350 -0.007 0.000 0.278 207 E C -0.686 175.862 176.600 -0.086 0.000 0.954 207 E CA -0.606 55.791 56.400 -0.006 0.000 0.779 207 E CB 0.565 30.272 29.700 0.012 0.000 1.093 207 E HN 0.720 nan 8.360 nan 0.000 0.401 208 H N 3.856 122.931 119.070 0.008 0.000 2.761 208 H HA 0.250 4.802 4.556 -0.007 0.000 0.284 208 H C -0.802 174.528 175.328 0.003 0.000 1.105 208 H CA -0.090 55.958 56.048 0.000 0.000 1.352 208 H CB 1.095 30.852 29.762 -0.007 0.000 1.423 208 H HN 0.385 nan 8.280 nan 0.000 0.464 209 T N 2.080 116.673 114.554 0.065 0.000 2.991 209 T HA 0.149 4.495 4.350 -0.007 0.000 0.303 209 T C 0.730 175.451 174.700 0.036 0.000 1.015 209 T CA -0.207 61.924 62.100 0.052 0.000 1.007 209 T CB 2.350 71.239 68.868 0.035 0.000 1.034 209 T HN 0.766 nan 8.240 nan 0.000 0.446 210 S N 2.102 117.823 115.700 0.037 0.000 4.159 210 S HA -0.309 4.157 4.470 -0.007 0.000 0.536 210 S C 1.788 176.403 174.600 0.026 0.000 1.861 210 S CA 2.077 60.293 58.200 0.026 0.000 4.246 210 S CB -1.135 62.077 63.200 0.020 0.000 0.268 210 S HN 0.810 nan 8.310 nan 0.000 0.454 211 Q N 2.148 121.959 119.800 0.019 0.000 2.172 211 Q HA 0.299 4.635 4.340 -0.007 0.000 0.200 211 Q C 1.217 177.228 176.000 0.019 0.000 0.964 211 Q CA 1.399 57.212 55.803 0.017 0.000 0.855 211 Q CB 0.148 28.892 28.738 0.010 0.000 0.918 211 Q HN 0.840 nan 8.270 nan 0.000 0.444 212 G N -0.706 108.102 108.800 0.014 0.000 2.356 212 G HA2 0.464 4.420 3.960 -0.007 0.000 0.281 212 G HA3 0.464 4.420 3.960 -0.007 0.000 0.281 212 G C -1.841 173.029 174.900 -0.050 0.000 1.246 212 G CA -0.280 44.826 45.100 0.009 0.000 0.889 212 G HN 0.225 nan 8.290 nan 0.000 0.486 213 A N -0.302 122.433 122.820 -0.142 0.000 2.306 213 A HA 0.827 5.143 4.320 -0.007 0.000 0.330 213 A C -0.278 177.194 177.584 -0.186 0.000 1.146 213 A CA -0.465 51.361 52.037 -0.352 0.000 0.827 213 A CB 1.078 19.728 19.000 -0.583 0.000 1.178 213 A HN 0.509 nan 8.150 nan 0.000 0.490 214 K N 0.885 121.199 120.400 -0.143 0.000 2.378 214 K HA 0.242 4.558 4.320 -0.007 0.000 0.252 214 K C -1.685 174.932 176.600 0.029 0.000 0.931 214 K CA -0.367 55.896 56.287 -0.040 0.000 0.794 214 K CB 2.245 34.732 32.500 -0.022 0.000 1.181 214 K HN 0.737 nan 8.250 nan 0.000 0.425 215 W N 4.138 125.343 121.300 -0.158 0.000 2.338 215 W HA 0.434 5.090 4.660 -0.007 0.000 0.307 215 W C -0.973 175.468 176.519 -0.130 0.000 1.167 215 W CA -0.895 56.360 57.345 -0.149 0.000 1.208 215 W CB 0.593 29.946 29.460 -0.178 0.000 1.228 215 W HN 0.259 nan 8.180 nan 0.000 0.499 216 V N 6.191 126.196 119.914 0.150 0.000 3.141 216 V HA 0.456 4.572 4.120 -0.007 0.000 0.312 216 V C -0.919 175.159 176.094 -0.027 0.000 1.157 216 V CA -0.632 61.666 62.300 -0.003 0.000 1.041 216 V CB 1.995 33.837 31.823 0.031 0.000 1.071 216 V HN 0.559 nan 8.190 nan 0.000 0.441 217 D N 1.677 122.044 120.400 -0.055 0.000 2.737 217 D HA -0.123 4.513 4.640 -0.007 0.000 0.238 217 D C 0.074 176.323 176.300 -0.086 0.000 1.157 217 D CA 1.380 55.347 54.000 -0.055 0.000 0.694 217 D CB -1.103 39.696 40.800 -0.003 0.000 1.021 217 D HN 0.993 nan 8.370 nan 0.000 0.420 218 T N -3.026 111.436 114.554 -0.155 0.000 2.944 218 T HA 0.536 4.882 4.350 -0.007 0.000 0.284 218 T C 0.102 174.766 174.700 -0.060 0.000 1.010 218 T CA -1.054 60.967 62.100 -0.132 0.000 1.025 218 T CB 2.497 71.129 68.868 -0.393 0.000 1.079 218 T HN 0.205 nan 8.240 nan 0.000 0.516 219 Q N 0.356 120.193 119.800 0.062 0.000 2.222 219 Q HA 0.576 4.912 4.340 -0.007 0.000 0.252 219 Q C -1.482 174.546 176.000 0.047 0.000 0.926 219 Q CA -0.805 55.022 55.803 0.041 0.000 0.899 219 Q CB 1.455 30.333 28.738 0.234 0.000 1.250 219 Q HN 0.595 nan 8.270 nan 0.000 0.441 220 V N 3.452 123.363 119.914 -0.005 0.000 2.513 220 V HA 0.475 4.591 4.120 -0.007 0.000 0.299 220 V C -0.411 175.725 176.094 0.070 0.000 1.035 220 V CA -0.585 61.672 62.300 -0.073 0.000 0.889 220 V CB 1.844 33.614 31.823 -0.088 0.000 0.988 220 V HN 0.609 nan 8.190 nan 0.000 0.440 221 V N 5.536 125.528 119.914 0.129 0.000 2.864 221 V HA 0.571 4.687 4.120 -0.007 0.000 0.314 221 V C -0.324 175.873 176.094 0.172 0.000 1.073 221 V CA -0.684 61.733 62.300 0.194 0.000 0.956 221 V CB 2.157 34.168 31.823 0.314 0.000 1.023 221 V HN 0.624 nan 8.190 nan 0.000 0.435 222 L N 2.346 123.685 121.223 0.192 0.000 2.334 222 L HA 0.888 5.224 4.340 -0.007 0.000 0.272 222 L C 0.040 177.092 176.870 0.303 0.000 1.020 222 L CA -0.684 54.253 54.840 0.161 0.000 0.812 222 L CB 1.841 43.978 42.059 0.130 0.000 1.264 222 L HN 0.737 nan 8.230 nan 0.000 0.439 223 A N 3.154 126.101 122.820 0.213 0.000 2.331 223 A HA 0.737 5.053 4.320 -0.007 0.000 0.320 223 A C -0.772 177.051 177.584 0.398 0.000 1.138 223 A CA -0.471 51.735 52.037 0.281 0.000 0.790 223 A CB 1.457 20.188 19.000 -0.448 0.000 1.206 223 A HN 0.775 nan 8.150 nan 0.000 0.470 224 M N 5.602 125.506 119.600 0.507 0.000 2.181 224 M HA 0.476 4.952 4.480 -0.007 0.000 0.323 224 M C -2.689 173.861 176.300 0.416 0.000 1.004 224 M CA -2.188 53.340 55.300 0.380 0.000 0.941 224 M CB 2.485 35.248 32.600 0.271 0.000 1.579 224 M HN 0.428 nan 8.290 nan 0.000 0.427 225 P HA 0.234 nan 4.420 nan 0.000 0.282 225 P C -1.933 175.346 177.300 -0.034 0.000 1.249 225 P CA -0.047 63.029 63.100 -0.041 0.000 0.806 225 P CB 0.711 32.249 31.700 -0.270 0.000 0.984 226 Y N 0.610 120.859 120.300 -0.085 0.000 2.361 226 Y HA 0.299 4.845 4.550 -0.007 0.000 0.337 226 Y C 0.214 176.103 175.900 -0.018 0.000 0.965 226 Y CA -0.274 57.832 58.100 0.010 0.000 1.091 226 Y CB 1.643 40.136 38.460 0.054 0.000 1.182 226 Y HN 0.233 nan 8.280 nan 0.000 0.450 227 D N 1.859 122.380 120.400 0.202 0.000 2.181 227 D HA 0.503 5.139 4.640 -0.007 0.000 0.248 227 D C -0.624 175.860 176.300 0.306 0.000 1.020 227 D CA -0.267 53.868 54.000 0.224 0.000 0.891 227 D CB 2.026 43.047 40.800 0.367 0.000 1.187 227 D HN 0.380 nan 8.370 nan 0.000 0.443 228 T N 1.886 116.521 114.554 0.135 0.000 2.876 228 T HA 0.499 4.845 4.350 -0.007 0.000 0.289 228 T C -2.591 171.911 174.700 -0.330 0.000 1.014 228 T CA -1.418 60.662 62.100 -0.033 0.000 0.986 228 T CB 2.360 71.219 68.868 -0.016 0.000 1.021 228 T HN 0.179 nan 8.240 nan 0.000 0.458 229 P HA 0.393 nan 4.420 nan 0.000 0.279 229 P C -1.084 175.905 177.300 -0.518 0.000 1.239 229 P CA -0.442 62.051 63.100 -1.012 0.000 0.789 229 P CB 0.991 31.892 31.700 -1.332 0.000 0.933 230 V N 5.513 125.192 119.914 -0.391 0.000 2.305 230 V HA 0.251 4.367 4.120 -0.007 0.000 0.275 230 V C -2.016 173.957 176.094 -0.201 0.000 1.020 230 V CA -1.930 60.220 62.300 -0.250 0.000 0.811 230 V CB 1.478 33.197 31.823 -0.174 0.000 1.031 230 V HN 0.553 nan 8.190 nan 0.000 0.439 231 P HA 0.240 nan 4.420 nan 0.000 0.281 231 P C 0.288 177.545 177.300 -0.071 0.000 1.252 231 P CA 0.302 63.324 63.100 -0.130 0.000 0.778 231 P CB 1.625 33.246 31.700 -0.131 0.000 0.895 232 G N 2.534 111.309 108.800 -0.042 0.000 2.537 232 G HA2 0.185 4.141 3.960 -0.007 0.000 0.273 232 G HA3 0.185 4.141 3.960 -0.007 0.000 0.273 232 G C -1.141 173.781 174.900 0.037 0.000 1.189 232 G CA -0.490 44.614 45.100 0.006 0.000 0.881 232 G HN 0.475 nan 8.290 nan 0.000 0.535 233 Y N 0.547 120.811 120.300 -0.060 0.000 2.569 233 Y HA 0.217 4.763 4.550 -0.007 0.000 0.332 233 Y C 1.353 177.220 175.900 -0.055 0.000 1.120 233 Y CA -0.130 57.931 58.100 -0.065 0.000 1.416 233 Y CB 0.298 38.717 38.460 -0.068 0.000 1.210 233 Y HN 0.692 nan 8.280 nan 0.000 0.528 234 R N 3.263 123.463 120.500 -0.501 0.000 3.266 234 R HA -0.311 4.025 4.340 -0.007 0.000 0.245 234 R C -0.188 175.990 176.300 -0.203 0.000 0.941 234 R CA 1.500 57.336 56.100 -0.440 0.000 0.638 234 R CB -1.768 28.089 30.300 -0.738 0.000 1.019 234 R HN 0.928 nan 8.270 nan 0.000 0.462 235 N N -2.024 116.606 118.700 -0.118 0.000 2.081 235 N HA 0.055 4.791 4.740 -0.007 0.000 0.230 235 N C -0.291 175.183 175.510 -0.060 0.000 1.351 235 N CA -0.383 52.628 53.050 -0.064 0.000 0.840 235 N CB 0.613 39.088 38.487 -0.020 0.000 1.189 235 N HN 0.080 nan 8.380 nan 0.000 0.503 236 N N -0.208 118.449 118.700 -0.071 0.000 2.753 236 N HA -0.135 4.601 4.740 -0.007 0.000 0.251 236 N C -0.945 174.525 175.510 -0.066 0.000 1.097 236 N CA 0.690 53.700 53.050 -0.066 0.000 0.786 236 N CB -1.255 37.191 38.487 -0.067 0.000 1.137 236 N HN 0.264 nan 8.380 nan 0.000 0.566 237 V N 0.786 120.668 119.914 -0.054 0.000 2.539 237 V HA 0.522 4.638 4.120 -0.007 0.000 0.292 237 V C 0.512 176.579 176.094 -0.045 0.000 1.045 237 V CA -0.506 61.765 62.300 -0.049 0.000 0.945 237 V CB 2.238 34.063 31.823 0.002 0.000 0.993 237 V HN -0.060 nan 8.190 nan 0.000 0.464 238 V N 5.125 125.016 119.914 -0.039 0.000 2.569 238 V HA 0.499 4.615 4.120 -0.007 0.000 0.301 238 V C -0.276 175.810 176.094 -0.013 0.000 1.044 238 V CA -0.793 61.465 62.300 -0.070 0.000 0.874 238 V CB 1.971 33.743 31.823 -0.086 0.000 1.002 238 V HN 0.893 nan 8.190 nan 0.000 0.424 239 N N 1.766 120.433 118.700 -0.055 0.000 2.643 239 N HA 0.630 5.366 4.740 -0.007 0.000 0.305 239 N C -0.300 175.204 175.510 -0.010 0.000 1.283 239 N CA -0.428 52.617 53.050 -0.009 0.000 0.946 239 N CB 1.463 39.910 38.487 -0.067 0.000 1.149 239 N HN 0.594 nan 8.380 nan 0.000 0.600 240 T N 0.687 115.252 114.554 0.018 0.000 2.863 240 T HA 0.480 4.826 4.350 -0.007 0.000 0.285 240 T C -0.481 174.203 174.700 -0.027 0.000 1.009 240 T CA -0.513 61.666 62.100 0.131 0.000 0.989 240 T CB 1.194 70.265 68.868 0.338 0.000 1.004 240 T HN 0.345 nan 8.240 nan 0.000 0.455 241 M N 3.375 122.909 119.600 -0.110 0.000 2.181 241 M HA 0.648 5.124 4.480 -0.007 0.000 0.323 241 M C -0.794 175.341 176.300 -0.276 0.000 1.004 241 M CA -0.808 54.334 55.300 -0.265 0.000 0.941 241 M CB 0.986 33.383 32.600 -0.339 0.000 1.579 241 M HN 0.463 nan 8.290 nan 0.000 0.427 242 R N 4.597 124.813 120.500 -0.473 0.000 2.310 242 R HA 0.625 4.961 4.340 -0.007 0.000 0.324 242 R C -2.218 173.748 176.300 -0.556 0.000 0.955 242 R CA -0.383 55.375 56.100 -0.569 0.000 0.830 242 R CB 0.983 30.703 30.300 -0.968 0.000 1.154 242 R HN 0.701 nan 8.270 nan 0.000 0.458 243 L N 5.474 126.488 121.223 -0.348 0.000 2.333 243 L HA 0.540 4.876 4.340 -0.007 0.000 0.280 243 L C -1.018 175.787 176.870 -0.109 0.000 1.004 243 L CA -0.583 54.153 54.840 -0.174 0.000 0.820 243 L CB 1.172 43.212 42.059 -0.031 0.000 1.247 243 L HN 0.654 nan 8.230 nan 0.000 0.416 244 W N 1.957 123.366 121.300 0.183 0.000 2.283 244 W HA 0.663 5.319 4.660 -0.007 0.000 0.341 244 W C 0.565 177.301 176.519 0.362 0.000 1.206 244 W CA -0.190 57.292 57.345 0.227 0.000 1.294 244 W CB 1.217 30.682 29.460 0.008 0.000 1.154 244 W HN 0.395 nan 8.180 nan 0.000 0.613 245 S N 0.304 116.421 115.700 0.695 0.000 2.568 245 S HA 0.814 5.280 4.470 -0.007 0.000 0.293 245 S C -0.765 174.211 174.600 0.627 0.000 1.089 245 S CA -0.712 57.820 58.200 0.553 0.000 0.945 245 S CB 0.976 64.498 63.200 0.536 0.000 1.077 245 S HN 0.515 nan 8.310 nan 0.000 0.485 246 A N 2.454 125.499 122.820 0.375 0.000 2.295 246 A HA 0.830 5.146 4.320 -0.007 0.000 0.318 246 A C -0.491 177.223 177.584 0.217 0.000 1.134 246 A CA -0.503 51.679 52.037 0.243 0.000 0.827 246 A CB 0.838 19.715 19.000 -0.206 0.000 1.136 246 A HN 0.706 nan 8.150 nan 0.000 0.493 247 K N 0.449 120.972 120.400 0.204 0.000 2.498 247 K HA 0.642 4.958 4.320 -0.007 0.000 0.254 247 K C -0.744 175.930 176.600 0.123 0.000 0.933 247 K CA -0.372 56.008 56.287 0.155 0.000 0.806 247 K CB 2.070 34.670 32.500 0.167 0.000 1.301 247 K HN 0.991 nan 8.250 nan 0.000 0.432 248 A N 4.143 127.018 122.820 0.093 0.000 2.331 248 A HA 0.494 4.810 4.320 -0.007 0.000 0.283 248 A C -2.300 175.337 177.584 0.087 0.000 1.142 248 A CA -1.464 50.623 52.037 0.083 0.000 0.812 248 A CB -0.120 18.919 19.000 0.064 0.000 1.074 248 A HN 0.554 nan 8.150 nan 0.000 0.497 249 P HA -0.048 nan 4.420 nan 0.000 0.265 249 P C 0.197 177.545 177.300 0.080 0.000 1.187 249 P CA -0.030 63.128 63.100 0.098 0.000 0.766 249 P CB 0.554 32.339 31.700 0.141 0.000 0.820 250 N N 2.289 121.022 118.700 0.055 0.000 2.457 250 N HA -0.116 4.620 4.740 -0.007 0.000 0.180 250 N C 0.619 176.142 175.510 0.021 0.000 1.050 250 N CA 0.797 53.870 53.050 0.038 0.000 0.906 250 N CB -0.289 38.213 38.487 0.025 0.000 0.968 250 N HN 0.429 nan 8.380 nan 0.000 0.445 251 D N 0.462 120.862 120.400 -0.000 0.000 2.527 251 D HA -0.070 4.566 4.640 -0.007 0.000 0.249 251 D C 1.536 177.788 176.300 -0.080 0.000 1.029 251 D CA 0.103 54.050 54.000 -0.089 0.000 0.951 251 D CB -1.047 39.629 40.800 -0.207 0.000 1.093 251 D HN 0.039 nan 8.370 nan 0.000 0.464 252 F N 1.270 121.223 119.950 0.006 0.000 2.408 252 F HA 0.024 4.547 4.527 -0.007 0.000 0.300 252 F C 1.554 177.359 175.800 0.009 0.000 1.090 252 F CA 0.723 58.724 58.000 0.002 0.000 1.427 252 F CB -0.716 38.288 39.000 0.006 0.000 1.070 252 F HN -0.054 nan 8.300 nan 0.000 0.549 253 N N -0.448 118.365 118.700 0.189 0.000 2.515 253 N HA 0.038 4.774 4.740 -0.007 0.000 0.191 253 N C -0.144 175.420 175.510 0.090 0.000 1.182 253 N CA 0.528 53.650 53.050 0.120 0.000 0.879 253 N CB 0.045 38.579 38.487 0.078 0.000 0.984 253 N HN 0.086 nan 8.380 nan 0.000 0.453 254 L N -1.382 119.893 121.223 0.088 0.000 3.449 254 L HA 0.257 4.593 4.340 -0.007 0.000 0.347 254 L C 0.520 177.417 176.870 0.046 0.000 1.333 254 L CA -0.007 54.885 54.840 0.087 0.000 0.905 254 L CB 0.332 42.461 42.059 0.117 0.000 1.348 254 L HN -0.119 nan 8.230 nan 0.000 0.611 255 K N -0.022 120.401 120.400 0.037 0.000 4.564 255 K HA 0.341 4.657 4.320 -0.007 0.000 0.234 255 K C -0.125 176.458 176.600 -0.029 0.000 1.062 255 K CA 0.247 56.487 56.287 -0.079 0.000 1.948 255 K CB 0.411 32.712 32.500 -0.332 0.000 2.935 255 K HN 0.119 nan 8.250 nan 0.000 0.681 256 D N 0.032 120.424 120.400 -0.013 0.000 3.775 256 D HA -0.293 4.343 4.640 -0.007 0.000 0.164 256 D C 0.146 176.273 176.300 -0.288 0.000 0.847 256 D CA 2.212 56.171 54.000 -0.069 0.000 0.866 256 D CB -0.502 40.366 40.800 0.114 0.000 0.421 256 D HN 0.339 nan 8.370 nan 0.000 0.356 257 F N 0.439 120.435 119.950 0.076 0.000 2.679 257 F HA 0.281 4.804 4.527 -0.007 0.000 0.354 257 F C 0.379 176.213 175.800 0.057 0.000 1.423 257 F CA -0.595 57.436 58.000 0.052 0.000 1.141 257 F CB 0.081 39.107 39.000 0.042 0.000 1.168 257 F HN 0.040 nan 8.300 nan 0.000 0.530 258 N N 2.075 120.874 118.700 0.163 0.000 2.508 258 N HA 0.122 4.858 4.740 -0.007 0.000 0.253 258 N C -0.620 174.965 175.510 0.124 0.000 1.145 258 N CA 0.338 53.468 53.050 0.133 0.000 0.973 258 N CB 0.759 39.314 38.487 0.113 0.000 1.305 258 N HN 0.227 nan 8.380 nan 0.000 0.506 259 V N 1.995 121.982 119.914 0.121 0.000 2.975 259 V HA 0.855 4.971 4.120 -0.007 0.000 0.318 259 V C 0.868 177.010 176.094 0.080 0.000 1.077 259 V CA 0.331 62.692 62.300 0.102 0.000 1.000 259 V CB 1.693 33.573 31.823 0.094 0.000 1.066 259 V HN 0.722 nan 8.190 nan 0.000 0.452 260 G N 1.961 110.802 108.800 0.068 0.000 4.081 260 G HA2 0.464 4.420 3.960 -0.007 0.000 0.192 260 G HA3 0.464 4.420 3.960 -0.007 0.000 0.192 260 G C 0.354 175.282 174.900 0.047 0.000 0.917 260 G CA 0.561 45.690 45.100 0.049 0.000 0.915 260 G HN 1.924 nan 8.290 nan 0.000 0.330 261 G N -0.989 107.847 108.800 0.061 0.000 2.169 261 G HA2 0.444 4.400 3.960 -0.007 0.000 0.286 261 G HA3 0.444 4.400 3.960 -0.007 0.000 0.286 261 G C -0.110 174.844 174.900 0.091 0.000 1.742 261 G CA 0.375 45.517 45.100 0.071 0.000 0.904 261 G HN 1.027 nan 8.290 nan 0.000 0.735 262 Y N 3.515 123.829 120.300 0.023 0.000 2.151 262 Y HA -0.130 4.416 4.550 -0.007 0.000 0.284 262 Y C 2.368 178.281 175.900 0.021 0.000 1.166 262 Y CA 2.526 60.640 58.100 0.022 0.000 1.163 262 Y CB -0.000 38.471 38.460 0.018 0.000 0.974 262 Y HN 0.495 nan 8.280 nan 0.000 0.511 263 I N 0.324 120.801 120.570 -0.154 0.000 2.394 263 I HA -0.252 3.914 4.170 -0.007 0.000 0.251 263 I C 2.375 178.384 176.117 -0.179 0.000 1.136 263 I CA 1.391 62.540 61.300 -0.251 0.000 1.425 263 I CB -0.515 37.470 38.000 -0.025 0.000 1.079 263 I HN 0.348 nan 8.210 nan 0.000 0.425 264 Q N -0.012 119.734 119.800 -0.089 0.000 2.137 264 Q HA -0.053 4.283 4.340 -0.007 0.000 0.198 264 Q C 2.350 178.304 176.000 -0.076 0.000 0.960 264 Q CA 1.398 57.165 55.803 -0.059 0.000 0.847 264 Q CB -0.259 28.468 28.738 -0.019 0.000 0.915 264 Q HN 0.591 nan 8.270 nan 0.000 0.448 265 A N 0.299 123.068 122.820 -0.084 0.000 1.892 265 A HA -0.181 4.135 4.320 -0.007 0.000 0.218 265 A C 2.348 179.868 177.584 -0.106 0.000 1.188 265 A CA 1.938 53.936 52.037 -0.064 0.000 0.631 265 A CB -0.861 18.120 19.000 -0.032 0.000 0.822 265 A HN 0.232 nan 8.150 nan 0.000 0.447 266 V N 0.159 119.936 119.914 -0.229 0.000 2.358 266 V HA -0.225 3.891 4.120 -0.007 0.000 0.246 266 V C 2.459 178.485 176.094 -0.112 0.000 1.047 266 V CA 1.839 64.020 62.300 -0.198 0.000 1.035 266 V CB -0.722 30.902 31.823 -0.332 0.000 0.658 266 V HN 0.574 nan 8.190 nan 0.000 0.452 267 L N -0.228 120.932 121.223 -0.104 0.000 2.362 267 L HA -0.106 4.230 4.340 -0.007 0.000 0.219 267 L C 1.792 178.643 176.870 -0.032 0.000 1.134 267 L CA 0.979 55.786 54.840 -0.056 0.000 0.807 267 L CB -0.601 41.429 42.059 -0.048 0.000 0.927 267 L HN 0.353 nan 8.230 nan 0.000 0.447 268 D N -0.231 120.151 120.400 -0.031 0.000 2.355 268 D HA -0.036 4.600 4.640 -0.007 0.000 0.218 268 D C 2.117 178.417 176.300 -0.001 0.000 1.004 268 D CA 0.181 54.173 54.000 -0.012 0.000 0.880 268 D CB 0.096 40.892 40.800 -0.007 0.000 0.911 268 D HN 0.241 nan 8.370 nan 0.000 0.528 269 R N 0.976 121.475 120.500 -0.001 0.000 2.091 269 R HA -0.099 4.237 4.340 -0.007 0.000 0.238 269 R C 1.636 177.949 176.300 0.021 0.000 1.136 269 R CA 0.639 56.748 56.100 0.016 0.000 0.959 269 R CB -0.609 29.701 30.300 0.016 0.000 0.856 269 R HN 0.239 nan 8.270 nan 0.000 0.437 270 N N 1.054 119.764 118.700 0.017 0.000 2.133 270 N HA -0.180 4.556 4.740 -0.007 0.000 0.193 270 N C 1.762 177.284 175.510 0.020 0.000 1.012 270 N CA 1.204 54.268 53.050 0.024 0.000 0.871 270 N CB -0.219 38.282 38.487 0.023 0.000 1.011 270 N HN 0.085 nan 8.380 nan 0.000 0.435 271 L N 0.827 122.056 121.223 0.011 0.000 2.131 271 L HA -0.082 4.254 4.340 -0.007 0.000 0.210 271 L C 2.323 179.185 176.870 -0.012 0.000 1.092 271 L CA 1.261 56.102 54.840 0.002 0.000 0.759 271 L CB -0.959 41.100 42.059 -0.000 0.000 0.903 271 L HN 0.120 nan 8.230 nan 0.000 0.435 272 A N -1.113 121.703 122.820 -0.006 0.000 1.975 272 A HA -0.085 4.231 4.320 -0.007 0.000 0.215 272 A C 2.124 179.686 177.584 -0.037 0.000 1.170 272 A CA 0.733 52.756 52.037 -0.025 0.000 0.656 272 A CB -0.300 18.710 19.000 0.017 0.000 0.821 272 A HN 0.471 nan 8.150 nan 0.000 0.449 273 E N 0.385 120.586 120.200 0.003 0.000 2.347 273 E HA -0.097 4.249 4.350 -0.007 0.000 0.196 273 E C 0.832 177.442 176.600 0.016 0.000 1.008 273 E CA 0.381 56.793 56.400 0.019 0.000 0.852 273 E CB -0.159 29.573 29.700 0.054 0.000 0.783 273 E HN 0.443 nan 8.360 nan 0.000 0.505 274 N N 0.925 119.631 118.700 0.011 0.000 2.573 274 N HA -0.062 4.674 4.740 -0.007 0.000 0.187 274 N C 1.531 177.058 175.510 0.028 0.000 1.107 274 N CA 0.537 53.610 53.050 0.039 0.000 0.918 274 N CB -0.007 38.498 38.487 0.032 0.000 0.966 274 N HN 0.276 nan 8.380 nan 0.000 0.448 275 I N 0.224 120.753 120.570 -0.070 0.000 2.286 275 I HA -0.204 3.962 4.170 -0.007 0.000 0.248 275 I C 1.345 177.461 176.117 -0.002 0.000 1.115 275 I CA 1.044 62.271 61.300 -0.123 0.000 1.392 275 I CB -0.115 37.635 38.000 -0.418 0.000 1.065 275 I HN 0.092 nan 8.210 nan 0.000 0.418 276 S N -0.461 115.259 115.700 0.034 0.000 2.582 276 S HA 0.177 4.643 4.470 -0.007 0.000 0.234 276 S C 1.507 176.288 174.600 0.302 0.000 0.961 276 S CA -0.496 57.832 58.200 0.213 0.000 0.953 276 S CB 0.186 63.505 63.200 0.198 0.000 0.800 276 S HN 0.210 nan 8.310 nan 0.000 0.471 277 R N 1.295 121.953 120.500 0.262 0.000 2.073 277 R HA 0.284 4.620 4.340 -0.007 0.000 0.229 277 R C 0.520 177.063 176.300 0.405 0.000 1.120 277 R CA 1.066 57.354 56.100 0.313 0.000 0.967 277 R CB -0.213 30.243 30.300 0.259 0.000 0.862 277 R HN 0.404 nan 8.270 nan 0.000 0.436 278 V N -0.231 119.861 119.914 0.297 0.000 3.114 278 V HA 0.407 4.523 4.120 -0.007 0.000 0.308 278 V C -1.593 174.388 176.094 -0.188 0.000 1.168 278 V CA -1.380 61.011 62.300 0.152 0.000 1.015 278 V CB 1.786 33.656 31.823 0.078 0.000 1.050 278 V HN 0.127 nan 8.190 nan 0.000 0.433 279 L N 4.628 125.516 121.223 -0.557 0.000 2.395 279 L HA 0.555 4.891 4.340 -0.007 0.000 0.269 279 L C -1.130 175.591 176.870 -0.249 0.000 1.133 279 L CA 0.252 54.558 54.840 -0.891 0.000 0.812 279 L CB 0.895 42.428 42.059 -0.876 0.000 1.125 279 L HN 0.667 nan 8.230 nan 0.000 0.452 280 Y N 5.470 125.640 120.300 -0.215 0.000 2.393 280 Y HA 0.312 4.858 4.550 -0.007 0.000 0.338 280 Y C -1.515 174.366 175.900 -0.031 0.000 1.029 280 Y CA -1.969 56.093 58.100 -0.063 0.000 1.239 280 Y CB 0.440 38.887 38.460 -0.021 0.000 1.170 280 Y HN 0.546 nan 8.280 nan 0.000 0.515 281 P HA -0.012 nan 4.420 nan 0.000 0.258 281 P C -0.495 176.923 177.300 0.197 0.000 1.559 281 P CA 0.145 63.333 63.100 0.147 0.000 0.855 281 P CB 0.056 31.940 31.700 0.306 0.000 1.594 282 N N 1.750 120.578 118.700 0.213 0.000 2.420 282 N HA 0.071 4.807 4.740 -0.007 0.000 0.249 282 N C -0.154 175.491 175.510 0.225 0.000 1.033 282 N CA 0.030 53.234 53.050 0.257 0.000 0.944 282 N CB 0.287 38.974 38.487 0.333 0.000 1.113 282 N HN 0.043 nan 8.380 nan 0.000 0.502 283 D N 2.589 123.124 120.400 0.226 0.000 2.498 283 D HA -0.049 4.587 4.640 -0.007 0.000 0.229 283 D C -0.036 176.443 176.300 0.297 0.000 1.188 283 D CA 0.098 54.231 54.000 0.221 0.000 1.028 283 D CB -0.287 40.646 40.800 0.221 0.000 1.087 283 D HN 0.453 nan 8.370 nan 0.000 0.510 284 N N 1.853 120.713 118.700 0.268 0.000 2.752 284 N HA -0.253 4.483 4.740 -0.007 0.000 0.308 284 N C -1.028 174.723 175.510 0.403 0.000 1.201 284 N CA 1.095 54.323 53.050 0.297 0.000 0.717 284 N CB -0.258 38.369 38.487 0.233 0.000 1.028 284 N HN 0.390 nan 8.380 nan 0.000 0.558 285 F N 4.412 124.471 119.950 0.181 0.000 2.662 285 F HA 0.255 4.778 4.527 -0.007 0.000 0.319 285 F C -1.313 174.621 175.800 0.224 0.000 1.079 285 F CA -1.162 56.943 58.000 0.174 0.000 1.062 285 F CB 0.320 39.389 39.000 0.115 0.000 1.299 285 F HN 0.180 nan 8.300 nan 0.000 0.487 286 F N 4.469 124.024 119.950 -0.659 0.000 2.371 286 F HA 0.765 5.288 4.527 -0.007 0.000 0.329 286 F C -0.913 174.427 175.800 -0.767 0.000 1.107 286 F CA -1.040 56.617 58.000 -0.572 0.000 1.137 286 F CB 1.150 39.852 39.000 -0.498 0.000 1.214 286 F HN 0.629 nan 8.300 nan 0.000 0.536 287 E N 1.319 120.918 120.200 -1.002 0.000 2.274 287 E HA 0.373 4.719 4.350 -0.007 0.000 0.269 287 E C -0.667 175.313 176.600 -1.033 0.000 0.891 287 E CA -0.706 55.191 56.400 -0.839 0.000 0.784 287 E CB 1.606 31.167 29.700 -0.231 0.000 1.225 287 E HN 1.060 nan 8.360 nan 0.000 0.412 288 G N 4.366 112.529 108.800 -1.062 0.000 3.209 288 G HA2 0.112 4.068 3.960 -0.007 0.000 0.274 288 G HA3 0.112 4.068 3.960 -0.007 0.000 0.274 288 G C -0.186 174.590 174.900 -0.206 0.000 0.850 288 G CA -0.148 44.471 45.100 -0.801 0.000 1.907 288 G HN 0.066 nan 8.290 nan 0.000 0.591 289 K N 0.546 120.922 120.400 -0.041 0.000 2.207 289 K HA 0.258 4.574 4.320 -0.007 0.000 0.255 289 K C 0.712 177.429 176.600 0.195 0.000 0.941 289 K CA -0.855 55.491 56.287 0.099 0.000 0.825 289 K CB 2.440 35.018 32.500 0.131 0.000 1.119 289 K HN 0.359 nan 8.250 nan 0.000 0.430 290 E N 1.382 121.663 120.200 0.134 0.000 2.268 290 E HA -0.150 4.196 4.350 -0.007 0.000 0.195 290 E C 1.205 177.803 176.600 -0.004 0.000 0.995 290 E CA 0.747 57.178 56.400 0.051 0.000 0.836 290 E CB 0.312 30.038 29.700 0.042 0.000 0.763 290 E HN 0.343 nan 8.360 nan 0.000 0.491 291 L N 0.726 121.982 121.223 0.054 0.000 2.313 291 L HA -0.021 4.315 4.340 -0.007 0.000 0.214 291 L C 2.303 179.167 176.870 -0.010 0.000 1.119 291 L CA 1.198 56.069 54.840 0.052 0.000 0.809 291 L CB -0.221 41.951 42.059 0.188 0.000 0.933 291 L HN -0.057 nan 8.230 nan 0.000 0.449 292 R N -0.833 119.582 120.500 -0.142 0.000 2.062 292 R HA -0.137 4.199 4.340 -0.007 0.000 0.229 292 R C 2.152 178.405 176.300 -0.078 0.000 1.128 292 R CA 1.630 57.546 56.100 -0.307 0.000 0.960 292 R CB -0.591 29.440 30.300 -0.447 0.000 0.855 292 R HN 0.341 nan 8.270 nan 0.000 0.432 293 L N 1.484 122.619 121.223 -0.146 0.000 2.079 293 L HA -0.136 4.200 4.340 -0.007 0.000 0.210 293 L C 1.760 178.544 176.870 -0.144 0.000 1.081 293 L CA 1.899 56.448 54.840 -0.485 0.000 0.752 293 L CB -0.322 41.174 42.059 -0.939 0.000 0.896 293 L HN 0.165 nan 8.230 nan 0.000 0.433 294 K N -1.180 119.184 120.400 -0.061 0.000 2.147 294 K HA -0.184 4.132 4.320 -0.007 0.000 0.205 294 K C 2.079 178.818 176.600 0.231 0.000 1.049 294 K CA 1.592 57.922 56.287 0.070 0.000 0.936 294 K CB -0.120 32.228 32.500 -0.253 0.000 0.722 294 K HN 0.531 nan 8.250 nan 0.000 0.446 295 Q N 0.615 120.499 119.800 0.141 0.000 1.990 295 Q HA -0.166 4.170 4.340 -0.007 0.000 0.200 295 Q C 1.975 178.143 176.000 0.281 0.000 0.980 295 Q CA 1.395 57.343 55.803 0.242 0.000 0.832 295 Q CB -0.040 28.834 28.738 0.226 0.000 0.897 295 Q HN 0.357 nan 8.270 nan 0.000 0.427 296 E N -0.021 120.286 120.200 0.178 0.000 2.097 296 E HA -0.237 4.109 4.350 -0.007 0.000 0.196 296 E C 1.771 178.459 176.600 0.146 0.000 1.000 296 E CA 1.251 57.744 56.400 0.154 0.000 0.804 296 E CB -0.181 29.581 29.700 0.104 0.000 0.740 296 E HN 0.327 nan 8.360 nan 0.000 0.454 297 Y N 0.337 120.653 120.300 0.028 0.000 2.220 297 Y HA -0.184 4.362 4.550 -0.007 0.000 0.291 297 Y C 1.971 177.883 175.900 0.019 0.000 1.129 297 Y CA 1.002 59.075 58.100 -0.046 0.000 1.161 297 Y CB -0.388 38.008 38.460 -0.106 0.000 0.997 297 Y HN 0.017 nan 8.280 nan 0.000 0.522 298 F N -0.072 119.832 119.950 -0.077 0.000 2.120 298 F HA -0.256 4.267 4.527 -0.007 0.000 0.300 298 F C 2.098 177.720 175.800 -0.298 0.000 1.095 298 F CA 1.995 59.891 58.000 -0.173 0.000 1.249 298 F CB -0.846 38.228 39.000 0.124 0.000 0.995 298 F HN -0.092 nan 8.300 nan 0.000 0.480 299 V N -0.402 119.450 119.914 -0.103 0.000 2.261 299 V HA -0.314 3.802 4.120 -0.007 0.000 0.246 299 V C 2.446 178.362 176.094 -0.296 0.000 1.047 299 V CA 1.782 63.992 62.300 -0.150 0.000 1.015 299 V CB -0.929 30.977 31.823 0.138 0.000 0.642 299 V HN 0.284 nan 8.190 nan 0.000 0.446 300 V N 0.116 119.881 119.914 -0.249 0.000 2.287 300 V HA -0.285 3.831 4.120 -0.007 0.000 0.248 300 V C 2.689 178.526 176.094 -0.429 0.000 1.053 300 V CA 2.243 64.383 62.300 -0.265 0.000 1.027 300 V CB -1.039 30.678 31.823 -0.176 0.000 0.646 300 V HN 0.575 nan 8.190 nan 0.000 0.447 301 A N -0.455 121.957 122.820 -0.680 0.000 1.898 301 A HA -0.073 4.243 4.320 -0.007 0.000 0.216 301 A C 2.370 179.598 177.584 -0.593 0.000 1.181 301 A CA 2.061 53.716 52.037 -0.636 0.000 0.620 301 A CB -0.693 17.780 19.000 -0.878 0.000 0.819 301 A HN 0.576 nan 8.150 nan 0.000 0.442 302 A N -1.177 121.127 122.820 -0.859 0.000 1.872 302 A HA -0.026 4.290 4.320 -0.007 0.000 0.214 302 A C 2.302 179.410 177.584 -0.793 0.000 1.187 302 A CA 2.133 53.489 52.037 -1.134 0.000 0.614 302 A CB -1.228 16.463 19.000 -2.181 0.000 0.826 302 A HN 0.397 nan 8.150 nan 0.000 0.442 303 T N 0.297 114.529 114.554 -0.536 0.000 2.720 303 T HA -0.121 4.225 4.350 -0.007 0.000 0.268 303 T C 1.712 176.176 174.700 -0.393 0.000 1.037 303 T CA 1.619 63.550 62.100 -0.282 0.000 1.144 303 T CB -0.315 68.380 68.868 -0.288 0.000 0.864 303 T HN 0.203 nan 8.240 nan 0.000 0.444 304 L N 1.076 122.097 121.223 -0.337 0.000 2.201 304 L HA -0.014 4.322 4.340 -0.007 0.000 0.212 304 L C 2.579 179.336 176.870 -0.189 0.000 1.105 304 L CA 1.488 56.172 54.840 -0.260 0.000 0.775 304 L CB -0.653 41.293 42.059 -0.187 0.000 0.913 304 L HN 0.308 nan 8.230 nan 0.000 0.440 305 Q N -1.155 118.536 119.800 -0.183 0.000 2.167 305 Q HA -0.213 4.123 4.340 -0.007 0.000 0.202 305 Q C 1.505 177.481 176.000 -0.039 0.000 0.970 305 Q CA 1.358 57.107 55.803 -0.091 0.000 0.855 305 Q CB -0.090 28.590 28.738 -0.097 0.000 0.911 305 Q HN 0.413 nan 8.270 nan 0.000 0.438 306 D N 0.468 120.834 120.400 -0.056 0.000 2.234 306 D HA -0.024 4.612 4.640 -0.007 0.000 0.205 306 D C 1.608 177.844 176.300 -0.106 0.000 0.962 306 D CA 0.578 54.583 54.000 0.008 0.000 0.855 306 D CB 0.134 41.038 40.800 0.172 0.000 0.951 306 D HN 0.176 nan 8.370 nan 0.000 0.500 307 I N 0.340 120.745 120.570 -0.275 0.000 2.193 307 I HA -0.204 3.962 4.170 -0.007 0.000 0.240 307 I C 2.072 178.210 176.117 0.036 0.000 1.084 307 I CA 0.469 61.557 61.300 -0.353 0.000 1.365 307 I CB -0.084 37.577 38.000 -0.566 0.000 1.064 307 I HN 0.021 nan 8.210 nan 0.000 0.410 308 I N 0.819 121.462 120.570 0.123 0.000 2.163 308 I HA -0.296 3.870 4.170 -0.007 0.000 0.243 308 I C 2.670 178.962 176.117 0.291 0.000 1.085 308 I CA 1.535 63.018 61.300 0.304 0.000 1.347 308 I CB -1.334 36.785 38.000 0.199 0.000 1.044 308 I HN 0.310 nan 8.210 nan 0.000 0.408 309 R N 1.248 121.853 120.500 0.175 0.000 2.094 309 R HA -0.198 4.138 4.340 -0.007 0.000 0.239 309 R C 2.502 178.904 176.300 0.170 0.000 1.137 309 R CA 1.852 58.042 56.100 0.150 0.000 0.943 309 R CB -0.159 30.204 30.300 0.106 0.000 0.850 309 R HN 0.263 nan 8.270 nan 0.000 0.433 310 R N -0.943 119.659 120.500 0.169 0.000 2.092 310 R HA -0.119 4.217 4.340 -0.007 0.000 0.231 310 R C 2.195 178.650 176.300 0.259 0.000 1.119 310 R CA 1.419 57.638 56.100 0.198 0.000 0.970 310 R CB -0.407 30.014 30.300 0.202 0.000 0.864 310 R HN 0.253 nan 8.270 nan 0.000 0.440 311 F N 2.105 122.150 119.950 0.159 0.000 2.134 311 F HA -0.159 4.364 4.527 -0.007 0.000 0.299 311 F C 1.673 177.579 175.800 0.177 0.000 1.097 311 F CA 1.564 59.679 58.000 0.192 0.000 1.264 311 F CB 0.060 39.220 39.000 0.267 0.000 1.001 311 F HN -0.214 nan 8.300 nan 0.000 0.479 312 K N -0.564 119.925 120.400 0.149 0.000 2.365 312 K HA -0.029 4.287 4.320 -0.007 0.000 0.199 312 K C 1.984 178.593 176.600 0.014 0.000 1.045 312 K CA 1.176 57.450 56.287 -0.022 0.000 0.962 312 K CB -0.092 32.455 32.500 0.078 0.000 0.759 312 K HN 0.204 nan 8.250 nan 0.000 0.469 313 S N 0.201 115.948 115.700 0.079 0.000 2.475 313 S HA 0.063 4.529 4.470 -0.007 0.000 0.224 313 S C 0.581 175.234 174.600 0.089 0.000 1.042 313 S CA -0.090 58.172 58.200 0.104 0.000 0.935 313 S CB 0.501 63.791 63.200 0.151 0.000 0.801 313 S HN 0.038 nan 8.310 nan 0.000 0.509 314 S N 2.179 117.910 115.700 0.051 0.000 2.448 314 S HA 0.315 4.781 4.470 -0.007 0.000 0.279 314 S C 0.539 175.030 174.600 -0.182 0.000 1.195 314 S CA -0.372 57.787 58.200 -0.069 0.000 1.051 314 S CB 0.753 63.914 63.200 -0.065 0.000 0.948 314 S HN 0.227 nan 8.310 nan 0.000 0.493 315 K N 1.312 121.581 120.400 -0.218 0.000 3.518 315 K HA -0.229 4.087 4.320 -0.007 0.000 0.285 315 K C 0.425 176.857 176.600 -0.281 0.000 1.081 315 K CA 1.766 57.888 56.287 -0.275 0.000 1.081 315 K CB -1.599 30.686 32.500 -0.358 0.000 1.441 315 K HN 0.588 nan 8.250 nan 0.000 0.420 316 F N 0.263 120.079 119.950 -0.224 0.000 2.805 316 F HA 0.173 4.696 4.527 -0.007 0.000 0.301 316 F C 2.069 177.756 175.800 -0.188 0.000 1.196 316 F CA 0.800 58.640 58.000 -0.267 0.000 1.439 316 F CB -0.265 38.431 39.000 -0.508 0.000 1.117 316 F HN 0.206 nan 8.300 nan 0.000 0.581 317 G N -2.194 106.617 108.800 0.017 0.000 2.650 317 G HA2 -0.137 3.819 3.960 -0.007 0.000 0.214 317 G HA3 -0.137 3.819 3.960 -0.007 0.000 0.214 317 G C 1.178 176.090 174.900 0.020 0.000 1.136 317 G CA 1.018 46.131 45.100 0.021 0.000 0.789 317 G HN 0.475 nan 8.290 nan 0.000 0.536 318 C N -0.224 119.081 119.300 0.007 0.000 3.855 318 C HA 0.435 4.891 4.460 -0.007 0.000 0.293 318 C C 0.708 175.706 174.990 0.013 0.000 2.137 318 C CA -0.963 58.060 59.018 0.008 0.000 1.620 318 C CB -0.931 26.808 27.740 -0.003 0.000 3.244 318 C HN 0.319 nan 8.230 nan 0.000 0.501 319 R N 1.590 122.115 120.500 0.041 0.000 2.288 319 R HA 0.201 4.537 4.340 -0.007 0.000 0.330 319 R C 0.585 176.922 176.300 0.063 0.000 1.069 319 R CA 0.467 56.612 56.100 0.075 0.000 0.941 319 R CB 0.198 30.622 30.300 0.207 0.000 0.998 319 R HN 0.510 nan 8.270 nan 0.000 0.452 320 D N 4.323 124.744 120.400 0.035 0.000 2.173 320 D HA 0.071 4.707 4.640 -0.007 0.000 0.296 320 D C -1.652 174.659 176.300 0.019 0.000 1.140 320 D CA -0.079 53.933 54.000 0.020 0.000 0.952 320 D CB -0.081 40.728 40.800 0.015 0.000 1.021 320 D HN 0.451 nan 8.370 nan 0.000 0.344 321 P HA 0.032 nan 4.420 nan 0.000 0.235 321 P C 0.349 177.655 177.300 0.011 0.000 1.765 321 P CA 0.293 63.400 63.100 0.012 0.000 1.034 321 P CB 0.478 32.186 31.700 0.013 0.000 1.984 322 V N 1.767 121.683 119.914 0.002 0.000 2.854 322 V HA 0.300 4.416 4.120 -0.007 0.000 0.236 322 V C 1.184 177.279 176.094 0.001 0.000 1.157 322 V CA 1.003 63.304 62.300 0.002 0.000 1.187 322 V CB 0.272 32.089 31.823 -0.009 0.000 0.949 322 V HN 0.233 nan 8.190 nan 0.000 0.488 323 R N -0.798 119.696 120.500 -0.010 0.000 5.039 323 R HA 0.199 4.535 4.340 -0.007 0.000 0.033 323 R C -0.507 175.780 176.300 -0.021 0.000 0.808 323 R CA 0.864 56.967 56.100 0.004 0.000 2.108 323 R CB -0.124 30.190 30.300 0.024 0.000 1.055 323 R HN 0.355 nan 8.270 nan 0.000 0.457 324 T N 1.200 115.721 114.554 -0.056 0.000 3.579 324 T HA 0.381 4.727 4.350 -0.007 0.000 0.360 324 T C -1.649 172.912 174.700 -0.233 0.000 1.285 324 T CA -0.558 61.447 62.100 -0.159 0.000 1.127 324 T CB 1.881 70.696 68.868 -0.089 0.000 1.244 324 T HN 0.279 nan 8.240 nan 0.000 0.476 325 N N 1.191 119.639 118.700 -0.420 0.000 2.260 325 N HA 0.451 5.187 4.740 -0.007 0.000 0.293 325 N C -0.501 174.832 175.510 -0.295 0.000 1.058 325 N CA -0.646 52.260 53.050 -0.240 0.000 0.824 325 N CB 1.257 39.687 38.487 -0.096 0.000 1.551 325 N HN 0.401 nan 8.380 nan 0.000 0.475 326 F N 0.686 120.639 119.950 0.005 0.000 2.693 326 F HA 0.144 4.667 4.527 -0.007 0.000 0.303 326 F C 1.625 177.452 175.800 0.045 0.000 1.143 326 F CA -0.192 57.818 58.000 0.017 0.000 1.389 326 F CB 0.180 39.052 39.000 -0.215 0.000 1.060 326 F HN 0.497 nan 8.300 nan 0.000 0.535 327 D N 0.638 121.134 120.400 0.159 0.000 2.178 327 D HA -0.146 4.490 4.640 -0.007 0.000 0.201 327 D C 2.170 178.581 176.300 0.185 0.000 0.980 327 D CA 1.284 55.369 54.000 0.143 0.000 0.842 327 D CB 0.071 40.936 40.800 0.109 0.000 0.948 327 D HN 0.328 nan 8.370 nan 0.000 0.472 328 A N -0.198 122.780 122.820 0.263 0.000 2.251 328 A HA 0.030 4.346 4.320 -0.007 0.000 0.209 328 A C 1.607 179.423 177.584 0.387 0.000 1.187 328 A CA -0.272 51.980 52.037 0.359 0.000 0.823 328 A CB -0.579 18.763 19.000 0.570 0.000 0.846 328 A HN 0.093 nan 8.150 nan 0.000 0.486 329 F N 2.241 122.208 119.950 0.030 0.000 2.095 329 F HA -0.097 4.427 4.527 -0.006 0.000 0.298 329 F C -0.411 175.331 175.800 -0.096 0.000 1.104 329 F CA 2.214 60.018 58.000 -0.325 0.000 1.232 329 F CB -0.418 38.331 39.000 -0.417 0.000 0.987 329 F HN 0.220 nan 8.300 nan 0.000 0.475 330 P HA -0.106 nan 4.420 nan 0.000 0.230 330 P C 0.356 177.646 177.300 -0.016 0.000 1.158 330 P CA 1.403 64.491 63.100 -0.020 0.000 0.769 330 P CB -0.067 31.633 31.700 0.000 0.000 0.807 331 D N -0.265 120.163 120.400 0.047 0.000 2.354 331 D HA 0.046 4.682 4.640 -0.007 0.000 0.209 331 D C 1.531 177.864 176.300 0.055 0.000 1.015 331 D CA 0.584 54.617 54.000 0.056 0.000 0.867 331 D CB 0.295 41.149 40.800 0.091 0.000 0.933 331 D HN 0.292 nan 8.370 nan 0.000 0.520 332 K N -0.139 120.297 120.400 0.060 0.000 2.380 332 K HA 0.199 4.515 4.320 -0.007 0.000 0.198 332 K C -0.093 176.462 176.600 -0.075 0.000 1.070 332 K CA 0.110 56.437 56.287 0.065 0.000 1.040 332 K CB 2.242 34.920 32.500 0.296 0.000 0.903 332 K HN -0.148 nan 8.250 nan 0.000 0.549 333 V N 0.795 120.560 119.914 -0.249 0.000 2.876 333 V HA 0.668 4.784 4.120 -0.007 0.000 0.312 333 V C -1.350 174.647 176.094 -0.161 0.000 1.085 333 V CA -1.072 61.061 62.300 -0.279 0.000 0.945 333 V CB 1.866 33.200 31.823 -0.815 0.000 1.017 333 V HN 0.097 nan 8.190 nan 0.000 0.428 334 A N 5.000 127.780 122.820 -0.066 0.000 2.427 334 A HA 0.926 5.242 4.320 -0.007 0.000 0.298 334 A C -1.028 176.569 177.584 0.021 0.000 1.036 334 A CA -0.486 51.546 52.037 -0.009 0.000 0.701 334 A CB 1.440 20.394 19.000 -0.076 0.000 1.250 334 A HN 1.162 nan 8.150 nan 0.000 0.412 335 I N -0.586 120.046 120.570 0.102 0.000 2.608 335 I HA 0.831 4.997 4.170 -0.007 0.000 0.295 335 I C -0.913 175.291 176.117 0.146 0.000 1.049 335 I CA -0.848 60.525 61.300 0.120 0.000 1.063 335 I CB 2.198 40.254 38.000 0.094 0.000 1.248 335 I HN 0.544 nan 8.210 nan 0.000 0.424 336 Q N 4.684 124.565 119.800 0.135 0.000 2.322 336 Q HA 0.548 4.884 4.340 -0.007 0.000 0.265 336 Q C -1.827 174.175 176.000 0.003 0.000 0.985 336 Q CA -0.516 55.411 55.803 0.207 0.000 0.849 336 Q CB 1.814 30.798 28.738 0.411 0.000 1.274 336 Q HN 0.754 nan 8.270 nan 0.000 0.449 337 L N 4.012 125.274 121.223 0.064 0.000 2.265 337 L HA 0.414 4.750 4.340 -0.007 0.000 0.288 337 L C -0.446 176.432 176.870 0.014 0.000 1.058 337 L CA -0.102 54.765 54.840 0.045 0.000 0.809 337 L CB 1.049 43.195 42.059 0.145 0.000 1.179 337 L HN 0.629 nan 8.230 nan 0.000 0.429 338 N N 3.227 121.882 118.700 -0.075 0.000 2.589 338 N HA 0.287 5.023 4.740 -0.007 0.000 0.232 338 N C -0.485 175.050 175.510 0.040 0.000 1.015 338 N CA 0.025 53.072 53.050 -0.005 0.000 0.931 338 N CB 0.065 38.486 38.487 -0.109 0.000 1.150 338 N HN 0.638 nan 8.380 nan 0.000 0.512 339 D N -0.023 120.451 120.400 0.123 0.000 5.703 339 D HA -0.230 4.406 4.640 -0.007 0.000 0.317 339 D C 0.334 176.698 176.300 0.108 0.000 2.508 339 D CA 1.598 55.648 54.000 0.084 0.000 1.333 339 D CB -0.308 40.339 40.800 -0.256 0.000 1.145 339 D HN 0.495 nan 8.370 nan 0.000 1.293 340 T N -2.252 112.365 114.554 0.104 0.000 3.118 340 T HA 0.021 4.367 4.350 -0.007 0.000 0.260 340 T C 1.485 176.271 174.700 0.144 0.000 1.139 340 T CA 1.535 63.717 62.100 0.137 0.000 1.085 340 T CB -0.553 68.389 68.868 0.123 0.000 0.934 340 T HN 0.540 nan 8.240 nan 0.000 0.518 341 H N 2.366 121.549 119.070 0.189 0.000 2.457 341 H HA -0.002 4.550 4.556 -0.007 0.000 0.297 341 H C -0.860 174.551 175.328 0.139 0.000 1.092 341 H CA 0.724 56.875 56.048 0.172 0.000 1.309 341 H CB -0.810 29.042 29.762 0.151 0.000 1.382 341 H HN 0.433 nan 8.280 nan 0.000 0.535 342 P HA 0.100 nan 4.420 nan 0.000 0.257 342 P C 0.315 177.662 177.300 0.078 0.000 1.737 342 P CA 0.262 63.436 63.100 0.124 0.000 1.130 342 P CB 0.386 32.147 31.700 0.102 0.000 1.572 343 S N -0.816 114.930 115.700 0.075 0.000 2.547 343 S HA -0.064 4.402 4.470 -0.007 0.000 0.235 343 S C 1.554 176.165 174.600 0.019 0.000 0.980 343 S CA 0.478 58.693 58.200 0.025 0.000 0.941 343 S CB -0.825 62.373 63.200 -0.004 0.000 0.763 343 S HN 0.031 nan 8.310 nan 0.000 0.532 344 L N 1.242 122.479 121.223 0.024 0.000 2.552 344 L HA 0.327 4.663 4.340 -0.007 0.000 0.227 344 L C 2.499 179.388 176.870 0.032 0.000 1.146 344 L CA 0.453 55.300 54.840 0.011 0.000 0.858 344 L CB -1.316 40.737 42.059 -0.009 0.000 0.969 344 L HN 0.419 nan 8.230 nan 0.000 0.451 345 A N -0.432 122.397 122.820 0.014 0.000 1.972 345 A HA -0.158 4.158 4.320 -0.007 0.000 0.219 345 A C 2.266 179.851 177.584 0.003 0.000 1.169 345 A CA 1.454 53.487 52.037 -0.005 0.000 0.635 345 A CB -0.452 18.540 19.000 -0.014 0.000 0.810 345 A HN 0.381 nan 8.150 nan 0.000 0.446 346 I N 0.276 120.853 120.570 0.011 0.000 2.162 346 I HA -0.118 4.048 4.170 -0.007 0.000 0.238 346 I C -0.421 175.727 176.117 0.053 0.000 1.076 346 I CA 1.210 62.519 61.300 0.015 0.000 1.353 346 I CB -1.203 36.808 38.000 0.019 0.000 1.063 346 I HN 0.205 nan 8.210 nan 0.000 0.408 347 P HA -0.180 nan 4.420 nan 0.000 0.222 347 P C 1.225 178.599 177.300 0.123 0.000 1.147 347 P CA 1.521 64.686 63.100 0.108 0.000 0.790 347 P CB 0.036 31.826 31.700 0.150 0.000 0.780 348 E N -0.072 120.230 120.200 0.171 0.000 2.158 348 E HA -0.095 4.251 4.350 -0.007 0.000 0.191 348 E C 1.830 178.431 176.600 0.002 0.000 0.982 348 E CA 0.404 56.916 56.400 0.187 0.000 0.823 348 E CB -1.109 28.718 29.700 0.211 0.000 0.766 348 E HN -0.005 nan 8.360 nan 0.000 0.468 349 L N 0.020 121.214 121.223 -0.049 0.000 2.056 349 L HA -0.026 4.310 4.340 -0.007 0.000 0.207 349 L C 1.965 178.717 176.870 -0.197 0.000 1.078 349 L CA 1.622 56.376 54.840 -0.143 0.000 0.749 349 L CB -0.529 41.453 42.059 -0.128 0.000 0.901 349 L HN 0.193 nan 8.230 nan 0.000 0.433 350 M N -0.839 118.670 119.600 -0.151 0.000 2.159 350 M HA -0.183 4.293 4.480 -0.007 0.000 0.263 350 M C 2.396 178.574 176.300 -0.204 0.000 1.063 350 M CA 1.378 56.550 55.300 -0.213 0.000 1.110 350 M CB -1.183 31.303 32.600 -0.189 0.000 1.374 350 M HN 0.326 nan 8.290 nan 0.000 0.411 351 R N -0.052 120.350 120.500 -0.163 0.000 2.075 351 R HA -0.095 4.241 4.340 -0.007 0.000 0.232 351 R C 2.084 178.292 176.300 -0.154 0.000 1.126 351 R CA 1.281 57.274 56.100 -0.179 0.000 0.963 351 R CB -0.033 30.129 30.300 -0.230 0.000 0.858 351 R HN 0.181 nan 8.270 nan 0.000 0.435 352 V N 1.359 121.180 119.914 -0.156 0.000 2.307 352 V HA -0.234 3.882 4.120 -0.007 0.000 0.245 352 V C 2.368 178.301 176.094 -0.269 0.000 1.045 352 V CA 1.629 63.822 62.300 -0.178 0.000 1.024 352 V CB -0.338 31.372 31.823 -0.189 0.000 0.651 352 V HN 0.328 nan 8.190 nan 0.000 0.449 353 L N -0.716 120.285 121.223 -0.369 0.000 2.027 353 L HA -0.123 4.213 4.340 -0.007 0.000 0.206 353 L C 2.415 179.105 176.870 -0.300 0.000 1.074 353 L CA 1.146 55.702 54.840 -0.474 0.000 0.745 353 L CB -0.683 41.044 42.059 -0.552 0.000 0.898 353 L HN 0.193 nan 8.230 nan 0.000 0.433 354 V N -0.334 119.444 119.914 -0.227 0.000 2.273 354 V HA -0.213 3.903 4.120 -0.007 0.000 0.242 354 V C 2.030 178.070 176.094 -0.089 0.000 1.035 354 V CA 1.841 64.063 62.300 -0.130 0.000 1.013 354 V CB -0.399 31.375 31.823 -0.081 0.000 0.652 354 V HN 0.354 nan 8.190 nan 0.000 0.452 355 D N -0.270 120.073 120.400 -0.095 0.000 2.149 355 D HA -0.057 4.579 4.640 -0.007 0.000 0.201 355 D C 1.860 178.121 176.300 -0.065 0.000 0.972 355 D CA 1.089 55.047 54.000 -0.071 0.000 0.835 355 D CB 0.001 40.752 40.800 -0.081 0.000 0.966 355 D HN 0.247 nan 8.370 nan 0.000 0.476 356 L N 0.417 121.589 121.223 -0.085 0.000 2.269 356 L HA 0.086 4.422 4.340 -0.007 0.000 0.200 356 L C 1.804 178.636 176.870 -0.063 0.000 1.069 356 L CA 0.926 55.728 54.840 -0.062 0.000 0.804 356 L CB -0.132 41.892 42.059 -0.059 0.000 0.987 356 L HN -0.148 nan 8.230 nan 0.000 0.468 357 E N 0.319 120.447 120.200 -0.119 0.000 2.479 357 E HA 0.065 4.411 4.350 -0.007 0.000 0.193 357 E C -0.026 176.544 176.600 -0.051 0.000 1.049 357 E CA -0.087 56.269 56.400 -0.073 0.000 0.870 357 E CB 0.143 29.742 29.700 -0.168 0.000 0.944 357 E HN 0.204 nan 8.360 nan 0.000 0.492 358 R N 0.198 120.660 120.500 -0.063 0.000 3.336 358 R HA -0.190 4.146 4.340 -0.007 0.000 0.260 358 R C -0.456 175.829 176.300 -0.025 0.000 1.032 358 R CA 0.119 56.200 56.100 -0.031 0.000 0.693 358 R CB -2.071 28.226 30.300 -0.004 0.000 1.134 358 R HN 0.032 nan 8.270 nan 0.000 0.433 359 L N 0.201 121.385 121.223 -0.065 0.000 2.454 359 L HA 0.244 4.580 4.340 -0.007 0.000 0.256 359 L C 0.556 177.424 176.870 -0.004 0.000 1.136 359 L CA 0.107 54.921 54.840 -0.043 0.000 0.804 359 L CB 0.716 42.711 42.059 -0.107 0.000 1.181 359 L HN 0.086 nan 8.230 nan 0.000 0.469 360 D N -0.396 120.023 120.400 0.031 0.000 2.304 360 D HA 0.014 4.650 4.640 -0.007 0.000 0.250 360 D C 0.207 176.579 176.300 0.121 0.000 1.107 360 D CA -0.108 53.945 54.000 0.089 0.000 0.885 360 D CB 0.519 41.371 40.800 0.087 0.000 1.192 360 D HN 0.451 nan 8.370 nan 0.000 0.436 361 W N 2.096 123.394 121.300 -0.005 0.000 2.305 361 W HA -0.253 4.403 4.660 -0.007 0.000 0.308 361 W C 1.364 177.915 176.519 0.052 0.000 1.226 361 W CA 1.449 58.795 57.345 0.002 0.000 1.253 361 W CB 0.130 29.572 29.460 -0.030 0.000 1.146 361 W HN 0.466 nan 8.180 nan 0.000 0.507 362 D N -0.417 120.221 120.400 0.397 0.000 2.149 362 D HA -0.162 4.474 4.640 -0.007 0.000 0.201 362 D C 2.059 178.481 176.300 0.202 0.000 0.972 362 D CA 1.078 55.288 54.000 0.351 0.000 0.835 362 D CB -0.345 40.615 40.800 0.266 0.000 0.966 362 D HN 0.090 nan 8.370 nan 0.000 0.476 363 K N 1.021 121.492 120.400 0.118 0.000 2.025 363 K HA 0.023 4.339 4.320 -0.007 0.000 0.207 363 K C 2.039 178.639 176.600 0.000 0.000 1.049 363 K CA 0.810 57.134 56.287 0.062 0.000 0.933 363 K CB -0.437 32.089 32.500 0.043 0.000 0.714 363 K HN 0.022 nan 8.250 nan 0.000 0.438 364 A N 0.806 123.584 122.820 -0.069 0.000 1.908 364 A HA -0.200 4.116 4.320 -0.007 0.000 0.218 364 A C 2.097 179.591 177.584 -0.149 0.000 1.181 364 A CA 1.364 53.290 52.037 -0.184 0.000 0.627 364 A CB -0.990 17.836 19.000 -0.289 0.000 0.818 364 A HN 0.624 nan 8.150 nan 0.000 0.445 365 W N 1.470 122.547 121.300 -0.371 0.000 2.388 365 W HA -0.204 4.452 4.660 -0.006 0.000 0.294 365 W C 2.073 178.514 176.519 -0.130 0.000 1.212 365 W CA 1.722 58.868 57.345 -0.331 0.000 1.271 365 W CB 0.041 29.303 29.460 -0.330 0.000 1.126 365 W HN 0.734 nan 8.180 nan 0.000 0.535 366 E N -0.256 119.944 120.200 -0.000 0.000 2.152 366 E HA -0.157 4.189 4.350 -0.007 0.000 0.192 366 E C 1.893 178.420 176.600 -0.121 0.000 0.983 366 E CA 1.211 57.564 56.400 -0.078 0.000 0.818 366 E CB -0.894 28.821 29.700 0.025 0.000 0.758 366 E HN 0.051 nan 8.360 nan 0.000 0.467 367 V N 1.649 121.508 119.914 -0.092 0.000 2.427 367 V HA -0.228 3.888 4.120 -0.007 0.000 0.248 367 V C 2.290 178.324 176.094 -0.101 0.000 1.051 367 V CA 2.187 64.450 62.300 -0.061 0.000 1.048 367 V CB -0.618 31.165 31.823 -0.066 0.000 0.666 367 V HN 0.433 nan 8.190 nan 0.000 0.456 368 T N 0.030 114.458 114.554 -0.210 0.000 2.674 368 T HA -0.180 4.166 4.350 -0.007 0.000 0.265 368 T C 1.961 176.489 174.700 -0.288 0.000 1.039 368 T CA 1.772 63.726 62.100 -0.243 0.000 1.150 368 T CB -0.296 68.378 68.868 -0.323 0.000 0.864 368 T HN 0.277 nan 8.240 nan 0.000 0.427 369 V N 1.591 121.214 119.914 -0.486 0.000 2.332 369 V HA -0.174 3.942 4.120 -0.007 0.000 0.248 369 V C 2.388 178.422 176.094 -0.101 0.000 1.055 369 V CA 1.587 63.663 62.300 -0.372 0.000 1.038 369 V CB -0.489 31.050 31.823 -0.473 0.000 0.651 369 V HN 0.480 nan 8.190 nan 0.000 0.450 370 K N -0.562 119.748 120.400 -0.149 0.000 2.365 370 K HA -0.058 4.258 4.320 -0.007 0.000 0.199 370 K C 2.081 178.598 176.600 -0.138 0.000 1.045 370 K CA 1.366 57.522 56.287 -0.219 0.000 0.962 370 K CB -0.153 32.247 32.500 -0.166 0.000 0.759 370 K HN 0.489 nan 8.250 nan 0.000 0.469 371 T N 0.582 115.140 114.554 0.007 0.000 2.894 371 T HA -0.007 4.339 4.350 -0.007 0.000 0.258 371 T C 1.174 175.984 174.700 0.183 0.000 1.043 371 T CA 0.419 62.568 62.100 0.082 0.000 1.141 371 T CB 0.031 68.979 68.868 0.134 0.000 0.873 371 T HN 0.166 nan 8.240 nan 0.000 0.449 372 C N 2.054 121.451 119.300 0.161 0.000 2.459 372 C HA 0.842 5.298 4.460 -0.007 0.000 0.374 372 C C 0.670 175.738 174.990 0.129 0.000 1.241 372 C CA -0.978 58.119 59.018 0.132 0.000 2.352 372 C CB 0.109 27.858 27.740 0.015 0.000 2.490 372 C HN 0.635 nan 8.230 nan 0.000 0.583 373 A N 1.503 124.371 122.820 0.081 0.000 2.574 373 A HA 0.720 5.036 4.320 -0.007 0.000 0.297 373 A C -1.695 175.947 177.584 0.096 0.000 1.062 373 A CA -0.383 51.638 52.037 -0.027 0.000 0.686 373 A CB 1.068 20.074 19.000 0.009 0.000 1.285 373 A HN 0.947 nan 8.150 nan 0.000 0.403 374 Y N 1.011 121.251 120.300 -0.099 0.000 2.391 374 Y HA 0.675 5.222 4.550 -0.006 0.000 0.341 374 Y C -0.543 175.332 175.900 -0.041 0.000 0.965 374 Y CA -0.475 57.583 58.100 -0.069 0.000 1.067 374 Y CB 2.057 40.435 38.460 -0.137 0.000 1.199 374 Y HN 0.609 nan 8.280 nan 0.000 0.450 375 T N 6.430 120.730 114.554 -0.423 0.000 2.771 375 T HA 0.254 4.600 4.350 -0.007 0.000 0.281 375 T C -0.672 173.513 174.700 -0.859 0.000 0.982 375 T CA -0.855 60.961 62.100 -0.473 0.000 0.978 375 T CB 0.544 69.356 68.868 -0.095 0.000 0.930 375 T HN 0.684 nan 8.240 nan 0.000 0.447 376 N N 1.658 119.906 118.700 -0.754 0.000 2.421 376 N HA 0.131 4.867 4.740 -0.007 0.000 0.285 376 N C 0.154 175.580 175.510 -0.140 0.000 1.027 376 N CA -0.408 52.382 53.050 -0.432 0.000 0.918 376 N CB 0.871 39.322 38.487 -0.058 0.000 1.152 376 N HN 0.657 nan 8.380 nan 0.000 0.485 377 H N 1.510 120.604 119.070 0.041 0.000 2.740 377 H HA 0.203 4.755 4.556 -0.007 0.000 0.265 377 H C -0.142 175.139 175.328 -0.079 0.000 0.978 377 H CA 0.331 56.377 56.048 -0.003 0.000 1.198 377 H CB 1.125 30.880 29.762 -0.013 0.000 1.467 377 H HN 0.485 nan 8.280 nan 0.000 0.511 378 T N 0.130 114.759 114.554 0.125 0.000 2.853 378 T HA 0.184 4.530 4.350 -0.007 0.000 0.311 378 T C 1.070 175.820 174.700 0.084 0.000 1.307 378 T CA -0.545 61.563 62.100 0.015 0.000 1.019 378 T CB 2.478 71.354 68.868 0.013 0.000 1.264 378 T HN -0.027 nan 8.240 nan 0.000 0.497 379 V N -1.472 118.446 119.914 0.007 0.000 3.661 379 V HA 0.488 4.604 4.120 -0.007 0.000 0.271 379 V C 0.853 176.922 176.094 -0.041 0.000 1.315 379 V CA -0.006 62.287 62.300 -0.011 0.000 1.072 379 V CB -0.505 31.309 31.823 -0.014 0.000 0.830 379 V HN 0.791 nan 8.190 nan 0.000 0.443 380 I N 2.795 123.326 120.570 -0.064 0.000 2.587 380 I HA 0.119 4.285 4.170 -0.007 0.000 0.284 380 I C -1.033 175.078 176.117 -0.010 0.000 1.134 380 I CA -1.138 60.135 61.300 -0.045 0.000 1.410 380 I CB 1.640 39.562 38.000 -0.129 0.000 1.392 380 I HN 0.110 nan 8.210 nan 0.000 0.545 381 P HA -0.159 nan 4.420 nan 0.000 0.217 381 P C 0.857 178.098 177.300 -0.098 0.000 1.150 381 P CA 1.172 64.240 63.100 -0.053 0.000 0.832 381 P CB 0.206 31.876 31.700 -0.051 0.000 0.787 382 E N -0.239 119.951 120.200 -0.017 0.000 2.333 382 E HA -0.091 4.255 4.350 -0.007 0.000 0.198 382 E C 1.883 178.413 176.600 -0.115 0.000 1.007 382 E CA 1.240 57.623 56.400 -0.029 0.000 0.845 382 E CB -0.860 29.026 29.700 0.310 0.000 0.766 382 E HN 0.224 nan 8.360 nan 0.000 0.507 383 A N 0.461 123.286 122.820 0.008 0.000 2.178 383 A HA 0.138 4.454 4.320 -0.007 0.000 0.211 383 A C 0.693 178.272 177.584 -0.009 0.000 1.157 383 A CA -0.032 52.040 52.037 0.060 0.000 0.780 383 A CB -0.080 19.006 19.000 0.143 0.000 0.828 383 A HN 0.101 nan 8.150 nan 0.000 0.476 384 L N 0.905 122.056 121.223 -0.119 0.000 2.395 384 L HA 0.245 4.581 4.340 -0.007 0.000 0.269 384 L C -0.143 176.611 176.870 -0.195 0.000 1.133 384 L CA -0.298 54.491 54.840 -0.085 0.000 0.812 384 L CB 0.796 42.811 42.059 -0.074 0.000 1.125 384 L HN 0.294 nan 8.230 nan 0.000 0.452 385 E N 3.823 124.001 120.200 -0.036 0.000 2.174 385 E HA 0.344 4.690 4.350 -0.007 0.000 0.282 385 E C -0.955 175.598 176.600 -0.077 0.000 0.992 385 E CA -0.741 55.648 56.400 -0.018 0.000 0.803 385 E CB 1.117 30.841 29.700 0.039 0.000 1.090 385 E HN 0.346 nan 8.360 nan 0.000 0.396 386 R N 3.525 123.968 120.500 -0.095 0.000 2.451 386 R HA 0.270 4.606 4.340 -0.007 0.000 0.307 386 R C -1.196 175.092 176.300 -0.021 0.000 0.965 386 R CA -0.579 55.494 56.100 -0.045 0.000 0.865 386 R CB 0.605 30.860 30.300 -0.076 0.000 1.174 386 R HN 0.507 nan 8.270 nan 0.000 0.455 387 W N 3.826 125.149 121.300 0.038 0.000 2.365 387 W HA 0.346 5.002 4.660 -0.007 0.000 0.316 387 W C -1.877 174.620 176.519 -0.036 0.000 1.164 387 W CA -2.007 55.335 57.345 -0.004 0.000 1.204 387 W CB 1.112 30.542 29.460 -0.050 0.000 1.213 387 W HN 0.318 nan 8.180 nan 0.000 0.539 388 P HA -0.106 nan 4.420 nan 0.000 0.263 388 P C 0.701 177.996 177.300 -0.007 0.000 1.195 388 P CA 0.341 63.464 63.100 0.038 0.000 0.762 388 P CB 0.982 32.611 31.700 -0.119 0.000 0.799 389 V N 4.121 124.066 119.914 0.051 0.000 2.759 389 V HA -0.249 3.867 4.120 -0.007 0.000 0.256 389 V C 1.929 178.060 176.094 0.062 0.000 1.080 389 V CA 2.247 64.572 62.300 0.041 0.000 1.101 389 V CB -1.328 30.552 31.823 0.095 0.000 0.698 389 V HN 0.718 nan 8.190 nan 0.000 0.477 390 H N -1.584 117.535 119.070 0.083 0.000 2.495 390 H HA -0.052 4.500 4.556 -0.007 0.000 0.287 390 H C 1.746 177.117 175.328 0.071 0.000 1.033 390 H CA 1.901 57.994 56.048 0.075 0.000 1.307 390 H CB -0.289 29.518 29.762 0.075 0.000 1.401 390 H HN 0.401 nan 8.280 nan 0.000 0.555 391 L N 0.006 121.047 121.223 -0.302 0.000 2.162 391 L HA 0.150 4.486 4.340 -0.007 0.000 0.205 391 L C 2.161 178.980 176.870 -0.085 0.000 1.086 391 L CA 1.026 55.762 54.840 -0.174 0.000 0.778 391 L CB -0.787 41.126 42.059 -0.243 0.000 0.928 391 L HN 0.436 nan 8.230 nan 0.000 0.446 392 L N -0.416 120.743 121.223 -0.107 0.000 2.083 392 L HA -0.207 4.129 4.340 -0.007 0.000 0.209 392 L C 2.528 179.345 176.870 -0.088 0.000 1.083 392 L CA 1.391 56.148 54.840 -0.139 0.000 0.752 392 L CB -0.185 41.786 42.059 -0.147 0.000 0.899 392 L HN 0.361 nan 8.230 nan 0.000 0.433 393 E N -0.312 119.875 120.200 -0.021 0.000 2.058 393 E HA -0.205 4.141 4.350 -0.007 0.000 0.194 393 E C 1.899 178.532 176.600 0.056 0.000 0.997 393 E CA 2.360 58.774 56.400 0.024 0.000 0.801 393 E CB -0.322 29.428 29.700 0.083 0.000 0.746 393 E HN 0.342 nan 8.360 nan 0.000 0.450 394 T N 0.664 115.273 114.554 0.091 0.000 2.674 394 T HA -0.125 4.221 4.350 -0.007 0.000 0.265 394 T C 1.743 176.558 174.700 0.192 0.000 1.039 394 T CA 1.442 63.638 62.100 0.160 0.000 1.150 394 T CB -0.402 68.579 68.868 0.189 0.000 0.864 394 T HN 0.150 nan 8.240 nan 0.000 0.427 395 L N -0.294 120.965 121.223 0.060 0.000 2.162 395 L HA 0.364 4.700 4.340 -0.007 0.000 0.205 395 L C 0.499 177.342 176.870 -0.045 0.000 1.086 395 L CA 1.488 56.276 54.840 -0.087 0.000 0.778 395 L CB 0.024 41.980 42.059 -0.173 0.000 0.928 395 L HN 0.182 nan 8.230 nan 0.000 0.446 396 L N 1.115 122.282 121.223 -0.094 0.000 2.594 396 L HA 0.300 4.636 4.340 -0.007 0.000 0.245 396 L C -1.684 175.050 176.870 -0.226 0.000 1.460 396 L CA -0.898 53.836 54.840 -0.177 0.000 0.865 396 L CB 0.917 42.749 42.059 -0.378 0.000 1.131 396 L HN -0.036 nan 8.230 nan 0.000 0.506 397 P HA -0.164 nan 4.420 nan 0.000 0.217 397 P C 1.415 178.516 177.300 -0.331 0.000 1.150 397 P CA 1.047 64.033 63.100 -0.190 0.000 0.832 397 P CB 0.313 31.972 31.700 -0.069 0.000 0.787 398 R N -0.481 119.617 120.500 -0.670 0.000 2.096 398 R HA -0.128 4.208 4.340 -0.007 0.000 0.235 398 R C 2.402 178.370 176.300 -0.553 0.000 1.127 398 R CA 1.434 57.132 56.100 -0.669 0.000 0.968 398 R CB -1.101 28.572 30.300 -1.044 0.000 0.861 398 R HN 0.418 nan 8.270 nan 0.000 0.440 399 H N 0.116 118.886 119.070 -0.500 0.000 2.423 399 H HA -0.007 4.545 4.556 -0.007 0.000 0.297 399 H C 2.004 177.166 175.328 -0.276 0.000 1.075 399 H CA 0.877 56.718 56.048 -0.345 0.000 1.342 399 H CB -0.042 29.499 29.762 -0.369 0.000 1.395 399 H HN 0.053 nan 8.280 nan 0.000 0.530 400 L N 0.434 121.541 121.223 -0.194 0.000 2.046 400 L HA -0.253 4.083 4.340 -0.007 0.000 0.208 400 L C 2.010 178.722 176.870 -0.262 0.000 1.077 400 L CA 1.476 56.138 54.840 -0.297 0.000 0.747 400 L CB -0.239 41.654 42.059 -0.277 0.000 0.896 400 L HN 0.442 nan 8.230 nan 0.000 0.432 401 Q N -0.289 119.456 119.800 -0.091 0.000 2.061 401 Q HA -0.246 4.090 4.340 -0.007 0.000 0.204 401 Q C 2.191 178.232 176.000 0.069 0.000 0.984 401 Q CA 1.737 57.581 55.803 0.068 0.000 0.846 401 Q CB -0.141 28.626 28.738 0.049 0.000 0.902 401 Q HN 0.541 nan 8.270 nan 0.000 0.421 402 I N 0.518 121.085 120.570 -0.005 0.000 2.226 402 I HA -0.287 3.879 4.170 -0.007 0.000 0.245 402 I C 2.189 178.354 176.117 0.080 0.000 1.100 402 I CA 1.111 62.451 61.300 0.066 0.000 1.374 402 I CB -0.217 37.775 38.000 -0.013 0.000 1.057 402 I HN 0.208 nan 8.210 nan 0.000 0.413 403 I N -0.536 120.030 120.570 -0.007 0.000 2.286 403 I HA -0.311 3.855 4.170 -0.007 0.000 0.248 403 I C 2.421 178.583 176.117 0.075 0.000 1.115 403 I CA 1.412 62.710 61.300 -0.005 0.000 1.392 403 I CB -0.446 37.484 38.000 -0.116 0.000 1.065 403 I HN 0.187 nan 8.210 nan 0.000 0.418 404 Y N 1.040 121.356 120.300 0.026 0.000 2.181 404 Y HA -0.196 4.350 4.550 -0.007 0.000 0.288 404 Y C 2.684 178.576 175.900 -0.013 0.000 1.146 404 Y CA 0.972 59.078 58.100 0.011 0.000 1.164 404 Y CB -0.551 37.905 38.460 -0.007 0.000 0.982 404 Y HN 0.133 nan 8.280 nan 0.000 0.515 405 E N -0.171 120.115 120.200 0.143 0.000 2.106 405 E HA -0.143 4.203 4.350 -0.007 0.000 0.192 405 E C 2.234 178.807 176.600 -0.045 0.000 0.984 405 E CA 0.686 57.069 56.400 -0.028 0.000 0.806 405 E CB -0.171 29.482 29.700 -0.078 0.000 0.750 405 E HN 0.303 nan 8.360 nan 0.000 0.458 406 I N 1.658 122.278 120.570 0.084 0.000 2.099 406 I HA -0.300 3.866 4.170 -0.007 0.000 0.239 406 I C 2.298 178.462 176.117 0.079 0.000 1.066 406 I CA 1.255 62.573 61.300 0.031 0.000 1.324 406 I CB -1.657 36.369 38.000 0.044 0.000 1.037 406 I HN 0.145 nan 8.210 nan 0.000 0.401 407 N N 0.936 119.724 118.700 0.148 0.000 2.060 407 N HA -0.247 4.489 4.740 -0.007 0.000 0.195 407 N C 1.825 177.446 175.510 0.185 0.000 1.028 407 N CA 1.665 54.851 53.050 0.227 0.000 0.861 407 N CB -0.143 38.483 38.487 0.232 0.000 1.029 407 N HN 0.272 nan 8.380 nan 0.000 0.428 408 Q N 0.286 120.133 119.800 0.078 0.000 1.998 408 Q HA -0.189 4.147 4.340 -0.007 0.000 0.209 408 Q C 2.158 178.147 176.000 -0.019 0.000 1.002 408 Q CA 1.815 57.616 55.803 -0.003 0.000 0.858 408 Q CB -0.465 28.221 28.738 -0.087 0.000 0.932 408 Q HN 0.560 nan 8.270 nan 0.000 0.416 409 R N -0.716 119.744 120.500 -0.066 0.000 2.189 409 R HA -0.100 4.236 4.340 -0.007 0.000 0.223 409 R C 2.153 178.475 176.300 0.036 0.000 1.092 409 R CA 0.866 56.918 56.100 -0.079 0.000 0.989 409 R CB -0.351 29.830 30.300 -0.200 0.000 0.876 409 R HN 0.188 nan 8.270 nan 0.000 0.457 410 F N 1.423 121.370 119.950 -0.005 0.000 2.128 410 F HA -0.037 4.486 4.527 -0.007 0.000 0.295 410 F C 1.809 177.643 175.800 0.057 0.000 1.100 410 F CA 1.177 59.220 58.000 0.073 0.000 1.260 410 F CB -0.168 38.910 39.000 0.131 0.000 1.009 410 F HN -0.149 nan 8.300 nan 0.000 0.476 411 L N 0.136 121.310 121.223 -0.081 0.000 2.217 411 L HA -0.181 4.155 4.340 -0.007 0.000 0.211 411 L C 2.008 178.791 176.870 -0.145 0.000 1.107 411 L CA 0.767 55.515 54.840 -0.153 0.000 0.783 411 L CB -0.744 41.310 42.059 -0.008 0.000 0.919 411 L HN 0.154 nan 8.230 nan 0.000 0.442 412 N N -0.046 118.592 118.700 -0.102 0.000 2.309 412 N HA -0.130 4.606 4.740 -0.007 0.000 0.182 412 N C 1.875 177.323 175.510 -0.104 0.000 1.018 412 N CA 0.776 53.773 53.050 -0.089 0.000 0.876 412 N CB -0.087 38.355 38.487 -0.076 0.000 0.972 412 N HN 0.310 nan 8.380 nan 0.000 0.434 413 R N 0.665 121.083 120.500 -0.137 0.000 2.073 413 R HA 0.019 4.355 4.340 -0.007 0.000 0.229 413 R C 1.964 178.163 176.300 -0.168 0.000 1.120 413 R CA 0.652 56.675 56.100 -0.128 0.000 0.967 413 R CB -0.120 30.116 30.300 -0.106 0.000 0.862 413 R HN 0.006 nan 8.270 nan 0.000 0.436 414 V N 0.976 120.742 119.914 -0.246 0.000 2.295 414 V HA -0.239 3.877 4.120 -0.007 0.000 0.246 414 V C 2.517 178.597 176.094 -0.023 0.000 1.049 414 V CA 1.924 64.147 62.300 -0.128 0.000 1.024 414 V CB -0.785 30.901 31.823 -0.229 0.000 0.648 414 V HN 0.398 nan 8.190 nan 0.000 0.447 415 A N 0.236 123.020 122.820 -0.059 0.000 1.883 415 A HA -0.204 4.112 4.320 -0.007 0.000 0.217 415 A C 2.427 179.979 177.584 -0.054 0.000 1.186 415 A CA 2.417 54.435 52.037 -0.031 0.000 0.624 415 A CB -0.953 18.021 19.000 -0.044 0.000 0.822 415 A HN 0.607 nan 8.150 nan 0.000 0.444 416 A N -0.704 122.065 122.820 -0.086 0.000 1.972 416 A HA 0.198 4.514 4.320 -0.007 0.000 0.219 416 A C 2.357 179.838 177.584 -0.172 0.000 1.169 416 A CA 2.049 54.024 52.037 -0.104 0.000 0.635 416 A CB -0.698 18.246 19.000 -0.094 0.000 0.810 416 A HN 1.080 nan 8.150 nan 0.000 0.446 417 A N -1.949 120.711 122.820 -0.266 0.000 2.030 417 A HA 0.422 4.738 4.320 -0.007 0.000 0.215 417 A C 0.431 177.548 177.584 -0.778 0.000 1.164 417 A CA 0.371 52.072 52.037 -0.560 0.000 0.697 417 A CB -0.050 18.475 19.000 -0.791 0.000 0.827 417 A HN 0.391 nan 8.150 nan 0.000 0.457 418 F N 1.039 120.944 119.950 -0.075 0.000 2.523 418 F HA 0.291 4.814 4.527 -0.007 0.000 0.322 418 F C -2.461 173.305 175.800 -0.056 0.000 1.361 418 F CA -2.978 54.983 58.000 -0.064 0.000 1.151 418 F CB 1.039 39.993 39.000 -0.077 0.000 1.391 418 F HN 0.010 nan 8.300 nan 0.000 0.566 419 P HA 0.172 nan 4.420 nan 0.000 0.264 419 P C 0.891 178.208 177.300 0.029 0.000 1.229 419 P CA 1.040 64.147 63.100 0.012 0.000 0.780 419 P CB 0.971 32.659 31.700 -0.020 0.000 0.808 420 G N 2.890 111.706 108.800 0.026 0.000 2.218 420 G HA2 -0.192 3.764 3.960 -0.007 0.000 0.216 420 G HA3 -0.192 3.764 3.960 -0.007 0.000 0.216 420 G C 0.035 174.948 174.900 0.022 0.000 0.994 420 G CA -0.184 44.927 45.100 0.018 0.000 0.637 420 G HN 0.602 nan 8.290 nan 0.000 0.505 421 D N 1.583 122.007 120.400 0.040 0.000 2.453 421 D HA 0.485 5.121 4.640 -0.007 0.000 0.223 421 D C 1.747 178.045 176.300 -0.003 0.000 1.183 421 D CA 0.125 54.133 54.000 0.013 0.000 0.933 421 D CB 0.912 41.712 40.800 -0.000 0.000 1.038 421 D HN 0.096 nan 8.370 nan 0.000 0.513 422 V N 3.144 123.056 119.914 -0.005 0.000 2.427 422 V HA -0.190 3.926 4.120 -0.007 0.000 0.248 422 V C 1.645 177.732 176.094 -0.011 0.000 1.051 422 V CA 1.466 63.763 62.300 -0.006 0.000 1.048 422 V CB -0.369 31.453 31.823 -0.003 0.000 0.666 422 V HN 0.412 nan 8.190 nan 0.000 0.456 423 D N -0.445 119.944 120.400 -0.018 0.000 2.224 423 D HA -0.110 4.526 4.640 -0.007 0.000 0.205 423 D C 2.283 178.562 176.300 -0.034 0.000 0.965 423 D CA 0.642 54.632 54.000 -0.017 0.000 0.852 423 D CB -0.150 40.639 40.800 -0.019 0.000 0.947 423 D HN 0.264 nan 8.370 nan 0.000 0.494 424 R N 0.026 120.483 120.500 -0.071 0.000 2.083 424 R HA -0.130 4.206 4.340 -0.007 0.000 0.237 424 R C 1.624 177.878 176.300 -0.076 0.000 1.137 424 R CA 0.990 57.016 56.100 -0.124 0.000 0.951 424 R CB -0.210 29.968 30.300 -0.203 0.000 0.851 424 R HN 0.084 nan 8.270 nan 0.000 0.434 425 L N 1.026 122.225 121.223 -0.040 0.000 2.083 425 L HA -0.148 4.188 4.340 -0.007 0.000 0.209 425 L C 2.563 179.454 176.870 0.034 0.000 1.083 425 L CA 1.664 56.499 54.840 -0.008 0.000 0.752 425 L CB -0.864 41.193 42.059 -0.002 0.000 0.899 425 L HN 0.212 nan 8.230 nan 0.000 0.433 426 R N 0.163 120.680 120.500 0.030 0.000 2.070 426 R HA -0.167 4.169 4.340 -0.007 0.000 0.232 426 R C 2.430 178.786 176.300 0.093 0.000 1.138 426 R CA 1.736 57.869 56.100 0.055 0.000 0.936 426 R CB -0.183 30.137 30.300 0.035 0.000 0.839 426 R HN 0.223 nan 8.270 nan 0.000 0.429 427 R N -0.220 120.327 120.500 0.077 0.000 2.073 427 R HA -0.034 4.302 4.340 -0.007 0.000 0.234 427 R C 2.406 178.849 176.300 0.238 0.000 1.134 427 R CA 2.176 58.355 56.100 0.132 0.000 0.952 427 R CB -0.222 30.117 30.300 0.066 0.000 0.850 427 R HN 0.274 nan 8.270 nan 0.000 0.433 428 M N 0.202 119.872 119.600 0.116 0.000 2.562 428 M HA 0.018 4.494 4.480 -0.007 0.000 0.257 428 M C 0.747 177.281 176.300 0.390 0.000 1.099 428 M CA 0.137 55.502 55.300 0.109 0.000 1.099 428 M CB 0.264 32.750 32.600 -0.190 0.000 1.427 428 M HN 0.006 nan 8.290 nan 0.000 0.489 429 S N 0.714 116.618 115.700 0.341 0.000 2.563 429 S HA 0.067 4.533 4.470 -0.007 0.000 0.284 429 S C 1.090 175.976 174.600 0.476 0.000 1.331 429 S CA -0.279 58.138 58.200 0.361 0.000 1.047 429 S CB 0.558 63.897 63.200 0.232 0.000 0.859 429 S HN 0.358 nan 8.310 nan 0.000 0.514 430 L N 3.473 124.926 121.223 0.384 0.000 2.478 430 L HA 0.158 4.494 4.340 -0.007 0.000 0.223 430 L C 0.060 177.036 176.870 0.175 0.000 1.140 430 L CA 0.097 55.111 54.840 0.290 0.000 0.842 430 L CB -0.394 41.779 42.059 0.190 0.000 0.953 430 L HN 0.312 nan 8.230 nan 0.000 0.452 431 V N 0.351 120.380 119.914 0.191 0.000 2.417 431 V HA 0.190 4.306 4.120 -0.007 0.000 0.291 431 V C -0.019 176.151 176.094 0.126 0.000 1.024 431 V CA -0.630 61.762 62.300 0.153 0.000 0.861 431 V CB 1.861 33.812 31.823 0.213 0.000 0.985 431 V HN 0.119 nan 8.190 nan 0.000 0.436 432 E N 3.961 124.212 120.200 0.085 0.000 2.044 432 E HA 0.240 4.586 4.350 -0.007 0.000 0.282 432 E C -0.216 176.429 176.600 0.075 0.000 1.031 432 E CA -0.435 56.004 56.400 0.066 0.000 0.824 432 E CB 0.604 30.319 29.700 0.025 0.000 1.076 432 E HN 0.601 nan 8.360 nan 0.000 0.395 433 E N 1.681 121.926 120.200 0.076 0.000 2.345 433 E HA 0.462 4.808 4.350 -0.007 0.000 0.259 433 E C 0.050 176.684 176.600 0.057 0.000 1.117 433 E CA -0.132 56.310 56.400 0.070 0.000 0.913 433 E CB 1.396 31.133 29.700 0.061 0.000 1.057 433 E HN 0.749 nan 8.360 nan 0.000 0.432 434 G N -0.137 108.695 108.800 0.054 0.000 3.444 434 G HA2 0.260 4.216 3.960 -0.007 0.000 0.685 434 G HA3 0.260 4.216 3.960 -0.007 0.000 0.685 434 G C 0.512 175.440 174.900 0.048 0.000 1.145 434 G CA -0.147 44.980 45.100 0.044 0.000 0.973 434 G HN 0.934 nan 8.290 nan 0.000 0.525 435 A N 0.491 123.338 122.820 0.044 0.000 1.387 435 A HA -0.188 4.128 4.320 -0.007 0.000 0.351 435 A C 1.243 178.864 177.584 0.062 0.000 1.649 435 A CA 2.614 54.679 52.037 0.045 0.000 1.088 435 A CB -1.518 17.506 19.000 0.040 0.000 1.472 435 A HN 2.353 nan 8.150 nan 0.000 0.721 436 V N 1.635 121.594 119.914 0.075 0.000 2.326 436 V HA 0.428 4.544 4.120 -0.007 0.000 0.281 436 V C 0.253 176.409 176.094 0.103 0.000 1.015 436 V CA 0.025 62.390 62.300 0.108 0.000 0.823 436 V CB 1.350 33.248 31.823 0.124 0.000 1.009 436 V HN 0.648 nan 8.190 nan 0.000 0.436 437 K N 6.365 126.833 120.400 0.113 0.000 2.368 437 K HA 0.447 4.763 4.320 -0.007 0.000 0.282 437 K C 0.075 176.744 176.600 0.115 0.000 1.035 437 K CA -0.205 56.147 56.287 0.110 0.000 0.973 437 K CB 0.531 33.104 32.500 0.122 0.000 0.957 437 K HN 0.819 nan 8.250 nan 0.000 0.474 438 R N 3.176 123.734 120.500 0.095 0.000 2.831 438 R HA 0.545 4.881 4.340 -0.007 0.000 0.266 438 R C -0.772 175.573 176.300 0.075 0.000 1.051 438 R CA -1.041 55.111 56.100 0.088 0.000 0.943 438 R CB 0.814 31.158 30.300 0.072 0.000 1.228 438 R HN 0.355 nan 8.270 nan 0.000 0.467 439 I N 1.444 122.060 120.570 0.077 0.000 2.418 439 I HA 0.209 4.375 4.170 -0.007 0.000 0.287 439 I C -0.613 175.524 176.117 0.033 0.000 1.008 439 I CA -1.012 60.322 61.300 0.057 0.000 1.104 439 I CB 1.922 39.950 38.000 0.047 0.000 1.264 439 I HN 0.544 nan 8.210 nan 0.000 0.438 440 N N 6.359 125.033 118.700 -0.043 0.000 2.402 440 N HA 0.089 4.825 4.740 -0.007 0.000 0.252 440 N C 0.647 176.105 175.510 -0.086 0.000 1.118 440 N CA -0.214 52.751 53.050 -0.143 0.000 0.945 440 N CB 1.127 39.348 38.487 -0.442 0.000 1.147 440 N HN 0.533 nan 8.380 nan 0.000 0.495 441 M N 3.474 123.061 119.600 -0.021 0.000 2.159 441 M HA -0.067 4.409 4.480 -0.007 0.000 0.263 441 M C 1.991 178.210 176.300 -0.135 0.000 1.063 441 M CA 1.200 56.496 55.300 -0.008 0.000 1.110 441 M CB -0.998 31.658 32.600 0.093 0.000 1.374 441 M HN 0.708 nan 8.290 nan 0.000 0.411 442 A N -1.241 121.501 122.820 -0.130 0.000 1.933 442 A HA -0.207 4.109 4.320 -0.007 0.000 0.218 442 A C 2.053 179.411 177.584 -0.376 0.000 1.175 442 A CA 1.794 53.678 52.037 -0.255 0.000 0.628 442 A CB -1.170 17.881 19.000 0.085 0.000 0.814 442 A HN 0.669 nan 8.150 nan 0.000 0.444 443 H N -1.193 117.661 119.070 -0.359 0.000 2.389 443 H HA -0.001 4.551 4.556 -0.007 0.000 0.299 443 H C 2.128 177.236 175.328 -0.367 0.000 1.081 443 H CA 0.832 56.624 56.048 -0.427 0.000 1.345 443 H CB -0.050 29.671 29.762 -0.069 0.000 1.393 443 H HN 0.374 nan 8.280 nan 0.000 0.520 444 L N 0.360 121.510 121.223 -0.122 0.000 1.989 444 L HA -0.252 4.084 4.340 -0.007 0.000 0.211 444 L C 2.405 179.141 176.870 -0.224 0.000 1.071 444 L CA 1.401 56.171 54.840 -0.117 0.000 0.749 444 L CB -0.437 41.583 42.059 -0.065 0.000 0.890 444 L HN 0.434 nan 8.230 nan 0.000 0.431 445 C N 0.019 119.087 119.300 -0.388 0.000 2.413 445 C HA -0.191 4.264 4.460 -0.007 0.000 0.276 445 C C 2.660 177.358 174.990 -0.487 0.000 1.248 445 C CA 0.765 59.472 59.018 -0.518 0.000 1.742 445 C CB -0.768 26.327 27.740 -1.075 0.000 2.017 445 C HN 0.509 nan 8.230 nan 0.000 0.481 446 I N 1.025 121.237 120.570 -0.597 0.000 2.439 446 I HA -0.135 4.031 4.170 -0.007 0.000 0.251 446 I C 2.648 178.590 176.117 -0.292 0.000 1.139 446 I CA 1.381 62.384 61.300 -0.494 0.000 1.438 446 I CB -0.420 37.123 38.000 -0.762 0.000 1.085 446 I HN 0.260 nan 8.210 nan 0.000 0.427 447 A N 0.445 123.072 122.820 -0.322 0.000 1.929 447 A HA -0.004 4.312 4.320 -0.007 0.000 0.216 447 A C 2.155 179.751 177.584 0.021 0.000 1.176 447 A CA 1.668 53.547 52.037 -0.263 0.000 0.628 447 A CB -0.878 17.831 19.000 -0.485 0.000 0.816 447 A HN 0.445 nan 8.150 nan 0.000 0.444 448 G N -1.050 107.717 108.800 -0.055 0.000 3.502 448 G HA2 0.437 4.393 3.960 -0.007 0.000 0.267 448 G HA3 0.437 4.393 3.960 -0.007 0.000 0.267 448 G C 0.040 174.778 174.900 -0.270 0.000 1.090 448 G CA 0.318 45.266 45.100 -0.254 0.000 0.795 448 G HN 0.306 nan 8.290 nan 0.000 0.535 449 S N -0.139 115.460 115.700 -0.169 0.000 2.621 449 S HA 0.359 4.825 4.470 -0.007 0.000 0.302 449 S C 0.835 175.400 174.600 -0.059 0.000 1.093 449 S CA -0.705 57.428 58.200 -0.111 0.000 1.017 449 S CB 1.143 64.275 63.200 -0.114 0.000 1.077 449 S HN 0.514 nan 8.310 nan 0.000 0.517 450 H N -0.419 118.616 119.070 -0.059 0.000 2.563 450 H HA 0.555 5.107 4.556 -0.007 0.000 0.264 450 H C 0.155 175.478 175.328 -0.008 0.000 0.957 450 H CA 0.170 56.214 56.048 -0.008 0.000 1.173 450 H CB 0.062 29.831 29.762 0.012 0.000 1.420 450 H HN 0.488 nan 8.280 nan 0.000 0.551 451 A N 0.777 123.319 122.820 -0.463 0.000 2.539 451 A HA 0.608 4.924 4.320 -0.007 0.000 0.296 451 A C -1.437 175.953 177.584 -0.324 0.000 1.073 451 A CA -0.569 51.250 52.037 -0.363 0.000 0.700 451 A CB 2.334 21.078 19.000 -0.427 0.000 1.296 451 A HN 0.084 nan 8.150 nan 0.000 0.405 452 V N 3.287 122.991 119.914 -0.349 0.000 2.668 452 V HA 0.527 4.643 4.120 -0.007 0.000 0.304 452 V C -1.053 174.866 176.094 -0.293 0.000 1.071 452 V CA -0.786 61.313 62.300 -0.336 0.000 0.894 452 V CB 1.999 33.458 31.823 -0.607 0.000 1.008 452 V HN 1.066 nan 8.190 nan 0.000 0.425 453 N N 2.748 121.299 118.700 -0.248 0.000 2.262 453 N HA 0.635 5.371 4.740 -0.007 0.000 0.295 453 N C -0.330 175.085 175.510 -0.159 0.000 1.161 453 N CA -0.410 52.526 53.050 -0.189 0.000 0.767 453 N CB 2.928 41.274 38.487 -0.236 0.000 1.499 453 N HN 0.677 nan 8.380 nan 0.000 0.476 454 G N -0.831 107.908 108.800 -0.102 0.000 2.511 454 G HA2 0.419 4.375 3.960 -0.007 0.000 0.316 454 G HA3 0.419 4.375 3.960 -0.007 0.000 0.316 454 G C 0.720 175.670 174.900 0.084 0.000 1.210 454 G CA -0.605 44.470 45.100 -0.043 0.000 0.969 454 G HN 0.639 nan 8.290 nan 0.000 0.492 455 V N -3.158 116.912 119.914 0.260 0.000 3.342 455 V HA 0.688 4.804 4.120 -0.007 0.000 0.322 455 V C 0.549 176.738 176.094 0.158 0.000 1.370 455 V CA 0.289 62.683 62.300 0.157 0.000 1.170 455 V CB -0.935 30.937 31.823 0.080 0.000 1.101 455 V HN 1.272 nan 8.190 nan 0.000 0.442 456 A N 1.037 123.959 122.820 0.169 0.000 2.605 456 A HA 0.684 5.000 4.320 -0.007 0.000 0.294 456 A C 0.642 178.284 177.584 0.097 0.000 1.062 456 A CA -0.331 51.780 52.037 0.124 0.000 0.682 456 A CB 1.160 20.225 19.000 0.108 0.000 1.278 456 A HN 0.366 nan 8.150 nan 0.000 0.410 457 R N 1.133 121.670 120.500 0.061 0.000 2.148 457 R HA 0.039 4.375 4.340 -0.007 0.000 0.227 457 R C 1.345 177.654 176.300 0.015 0.000 1.103 457 R CA 1.786 57.902 56.100 0.025 0.000 0.983 457 R CB -0.265 30.043 30.300 0.013 0.000 0.874 457 R HN 0.656 nan 8.270 nan 0.000 0.451 458 I N 0.744 121.334 120.570 0.033 0.000 2.353 458 I HA -0.205 3.961 4.170 -0.007 0.000 0.248 458 I C 2.172 178.316 176.117 0.044 0.000 1.119 458 I CA 1.445 62.757 61.300 0.020 0.000 1.417 458 I CB -0.116 37.895 38.000 0.018 0.000 1.078 458 I HN 0.366 nan 8.210 nan 0.000 0.421 459 H N 0.144 119.201 119.070 -0.022 0.000 2.462 459 H HA -0.036 4.516 4.556 -0.007 0.000 0.292 459 H C 2.094 177.408 175.328 -0.023 0.000 1.049 459 H CA 1.822 57.854 56.048 -0.026 0.000 1.334 459 H CB 0.026 29.779 29.762 -0.016 0.000 1.404 459 H HN 0.212 nan 8.280 nan 0.000 0.544 460 S N -0.041 115.579 115.700 -0.133 0.000 2.446 460 S HA -0.049 4.417 4.470 -0.007 0.000 0.225 460 S C 1.822 176.338 174.600 -0.141 0.000 1.016 460 S CA 0.552 58.648 58.200 -0.174 0.000 0.943 460 S CB 0.122 63.276 63.200 -0.078 0.000 0.786 460 S HN 0.417 nan 8.310 nan 0.000 0.508 461 E N 1.624 121.759 120.200 -0.109 0.000 2.047 461 E HA -0.017 4.329 4.350 -0.007 0.000 0.191 461 E C 1.997 178.506 176.600 -0.150 0.000 0.987 461 E CA 0.757 57.078 56.400 -0.131 0.000 0.799 461 E CB -0.368 29.278 29.700 -0.090 0.000 0.752 461 E HN 0.472 nan 8.360 nan 0.000 0.449 462 I N 1.100 121.600 120.570 -0.117 0.000 2.194 462 I HA -0.307 3.859 4.170 -0.007 0.000 0.246 462 I C 2.487 178.504 176.117 -0.166 0.000 1.093 462 I CA 0.917 62.148 61.300 -0.115 0.000 1.355 462 I CB -0.278 37.686 38.000 -0.060 0.000 1.046 462 I HN 0.086 nan 8.210 nan 0.000 0.413 463 L N 0.370 121.466 121.223 -0.212 0.000 2.079 463 L HA -0.244 4.092 4.340 -0.007 0.000 0.210 463 L C 2.417 179.201 176.870 -0.143 0.000 1.081 463 L CA 1.623 56.336 54.840 -0.211 0.000 0.752 463 L CB -0.546 41.453 42.059 -0.100 0.000 0.896 463 L HN 0.260 nan 8.230 nan 0.000 0.433 464 K N -0.654 119.615 120.400 -0.219 0.000 2.296 464 K HA -0.076 4.240 4.320 -0.007 0.000 0.200 464 K C 1.995 178.403 176.600 -0.321 0.000 1.048 464 K CA 0.613 56.643 56.287 -0.428 0.000 0.966 464 K CB 0.189 32.212 32.500 -0.795 0.000 0.754 464 K HN 0.195 nan 8.250 nan 0.000 0.466 465 K N -0.094 120.177 120.400 -0.215 0.000 2.190 465 K HA 0.080 4.396 4.320 -0.007 0.000 0.202 465 K C 1.937 178.477 176.600 -0.100 0.000 1.045 465 K CA 1.076 57.276 56.287 -0.144 0.000 0.976 465 K CB -0.009 32.422 32.500 -0.116 0.000 0.849 465 K HN 0.044 nan 8.250 nan 0.000 0.468 466 T N 2.918 117.405 114.554 -0.112 0.000 3.139 466 T HA 0.057 4.403 4.350 -0.007 0.000 0.226 466 T C 2.197 176.837 174.700 -0.099 0.000 1.010 466 T CA 0.826 62.870 62.100 -0.093 0.000 1.487 466 T CB -0.513 68.297 68.868 -0.097 0.000 1.204 466 T HN 0.206 nan 8.240 nan 0.000 0.437 467 I N -1.066 119.381 120.570 -0.205 0.000 2.315 467 I HA 0.050 4.216 4.170 -0.007 0.000 0.248 467 I C 1.156 177.218 176.117 -0.092 0.000 1.117 467 I CA 1.664 62.814 61.300 -0.249 0.000 1.404 467 I CB -0.496 37.162 38.000 -0.569 0.000 1.071 467 I HN 0.037 nan 8.210 nan 0.000 0.419 468 F N 2.475 122.503 119.950 0.131 0.000 2.750 468 F HA 0.281 4.804 4.527 -0.007 0.000 0.297 468 F C 1.892 177.788 175.800 0.160 0.000 1.138 468 F CA -1.204 56.949 58.000 0.255 0.000 1.346 468 F CB -0.624 38.576 39.000 0.334 0.000 0.965 468 F HN 0.118 nan 8.300 nan 0.000 0.514 469 K N -0.739 119.765 120.400 0.174 0.000 2.160 469 K HA -0.195 4.121 4.320 -0.007 0.000 0.206 469 K C 0.892 177.542 176.600 0.084 0.000 1.047 469 K CA 1.943 58.273 56.287 0.072 0.000 0.930 469 K CB -0.230 32.277 32.500 0.012 0.000 0.720 469 K HN 0.070 nan 8.250 nan 0.000 0.450 470 D N 0.612 121.060 120.400 0.079 0.000 2.144 470 D HA -0.097 4.539 4.640 -0.007 0.000 0.199 470 D C 1.755 177.968 176.300 -0.146 0.000 0.984 470 D CA 1.081 55.000 54.000 -0.136 0.000 0.834 470 D CB -0.230 40.390 40.800 -0.299 0.000 0.955 470 D HN 0.254 nan 8.370 nan 0.000 0.465 471 F N -0.401 119.615 119.950 0.110 0.000 2.293 471 F HA -0.063 4.460 4.527 -0.007 0.000 0.297 471 F C 2.209 178.061 175.800 0.087 0.000 1.089 471 F CA 0.175 58.303 58.000 0.214 0.000 1.377 471 F CB -0.570 38.639 39.000 0.349 0.000 1.051 471 F HN -0.066 nan 8.300 nan 0.000 0.511 472 Y N 1.574 121.723 120.300 -0.251 0.000 2.114 472 Y HA -0.234 4.312 4.550 -0.007 0.000 0.284 472 Y C 2.230 178.049 175.900 -0.134 0.000 1.143 472 Y CA 1.843 59.600 58.100 -0.572 0.000 1.135 472 Y CB -0.667 37.429 38.460 -0.608 0.000 0.980 472 Y HN 0.103 nan 8.280 nan 0.000 0.499 473 E N -0.504 119.640 120.200 -0.095 0.000 2.160 473 E HA -0.208 4.138 4.350 -0.007 0.000 0.195 473 E C 2.110 178.760 176.600 0.083 0.000 0.991 473 E CA 0.967 57.338 56.400 -0.048 0.000 0.810 473 E CB -0.223 29.477 29.700 0.001 0.000 0.742 473 E HN 0.360 nan 8.360 nan 0.000 0.466 474 L N 0.875 122.171 121.223 0.122 0.000 2.068 474 L HA -0.011 4.325 4.340 -0.007 0.000 0.204 474 L C 0.252 177.183 176.870 0.103 0.000 1.076 474 L CA 1.779 56.738 54.840 0.198 0.000 0.753 474 L CB -0.056 42.118 42.059 0.191 0.000 0.910 474 L HN -0.015 nan 8.230 nan 0.000 0.439 475 E N -0.639 119.599 120.200 0.063 0.000 3.132 475 E HA 0.175 4.521 4.350 -0.007 0.000 0.241 475 E C -1.933 174.566 176.600 -0.169 0.000 1.196 475 E CA -1.397 54.937 56.400 -0.110 0.000 0.869 475 E CB 1.207 30.800 29.700 -0.178 0.000 1.387 475 E HN 0.156 nan 8.360 nan 0.000 0.393 476 P HA -0.252 nan 4.420 nan 0.000 0.216 476 P C 1.229 178.545 177.300 0.027 0.000 1.150 476 P CA 1.221 64.043 63.100 -0.464 0.000 0.837 476 P CB -0.071 31.277 31.700 -0.586 0.000 0.786 477 H N 0.009 119.133 119.070 0.090 0.000 2.492 477 H HA -0.094 4.458 4.556 -0.007 0.000 0.296 477 H C 1.713 177.137 175.328 0.160 0.000 1.095 477 H CA 1.288 57.407 56.048 0.118 0.000 1.281 477 H CB -0.413 29.398 29.762 0.082 0.000 1.374 477 H HN 0.194 nan 8.280 nan 0.000 0.545 478 K N 0.220 120.628 120.400 0.012 0.000 2.314 478 K HA 0.038 4.354 4.320 -0.007 0.000 0.198 478 K C -0.281 176.279 176.600 -0.067 0.000 1.045 478 K CA -0.183 56.086 56.287 -0.030 0.000 0.988 478 K CB 0.229 32.598 32.500 -0.218 0.000 0.783 478 K HN 0.012 nan 8.250 nan 0.000 0.484 479 F N 2.166 122.165 119.950 0.081 0.000 2.424 479 F HA 0.238 4.760 4.527 -0.007 0.000 0.356 479 F C 0.445 176.281 175.800 0.061 0.000 1.110 479 F CA -0.036 58.030 58.000 0.110 0.000 1.161 479 F CB 1.139 40.300 39.000 0.268 0.000 1.115 479 F HN -0.001 nan 8.300 nan 0.000 0.507 480 Q N 1.944 121.782 119.800 0.064 0.000 2.892 480 Q HA 0.431 4.767 4.340 -0.007 0.000 0.307 480 Q C -1.103 174.870 176.000 -0.045 0.000 1.039 480 Q CA -1.283 54.515 55.803 -0.008 0.000 0.792 480 Q CB 3.225 31.898 28.738 -0.108 0.000 1.504 480 Q HN 0.664 nan 8.270 nan 0.000 0.487 481 N N 0.085 118.736 118.700 -0.081 0.000 2.284 481 N HA 0.312 5.048 4.740 -0.007 0.000 0.289 481 N C -1.662 173.772 175.510 -0.127 0.000 1.179 481 N CA -0.446 52.558 53.050 -0.076 0.000 0.774 481 N CB 1.553 40.019 38.487 -0.035 0.000 1.548 481 N HN 0.256 nan 8.380 nan 0.000 0.473 482 K N 2.302 122.643 120.400 -0.098 0.000 2.731 482 K HA 0.186 4.502 4.320 -0.007 0.000 0.257 482 K C -1.113 175.530 176.600 0.071 0.000 1.032 482 K CA -0.469 55.759 56.287 -0.097 0.000 0.983 482 K CB 1.330 33.630 32.500 -0.333 0.000 1.248 482 K HN 0.606 nan 8.250 nan 0.000 0.484 483 T N 1.979 116.585 114.554 0.087 0.000 2.934 483 T HA 0.052 4.398 4.350 -0.007 0.000 0.306 483 T C 0.883 175.715 174.700 0.220 0.000 1.042 483 T CA 0.314 62.504 62.100 0.150 0.000 1.145 483 T CB 0.396 69.350 68.868 0.144 0.000 0.982 483 T HN 0.362 nan 8.240 nan 0.000 0.544 484 N N 0.195 119.038 118.700 0.238 0.000 2.260 484 N HA 0.443 5.179 4.740 -0.007 0.000 0.230 484 N C 0.471 176.153 175.510 0.286 0.000 1.323 484 N CA -0.162 53.052 53.050 0.274 0.000 0.897 484 N CB 0.357 38.949 38.487 0.175 0.000 1.146 484 N HN 0.782 nan 8.380 nan 0.000 0.460 485 G N -0.674 108.295 108.800 0.282 0.000 2.608 485 G HA2 0.613 4.569 3.960 -0.007 0.000 0.291 485 G HA3 0.613 4.569 3.960 -0.007 0.000 0.291 485 G C -1.829 173.189 174.900 0.198 0.000 1.425 485 G CA -0.341 44.916 45.100 0.261 0.000 0.787 485 G HN 0.389 nan 8.290 nan 0.000 0.484 486 I N -0.594 120.080 120.570 0.174 0.000 2.934 486 I HA 0.691 4.857 4.170 -0.007 0.000 0.306 486 I C -0.038 176.219 176.117 0.232 0.000 1.110 486 I CA -0.628 60.752 61.300 0.133 0.000 1.019 486 I CB 2.691 40.687 38.000 -0.006 0.000 1.227 486 I HN 0.524 nan 8.210 nan 0.000 0.434 487 T N 6.046 120.810 114.554 0.351 0.000 2.749 487 T HA 0.453 4.799 4.350 -0.007 0.000 0.287 487 T C -1.898 172.921 174.700 0.198 0.000 0.970 487 T CA -1.961 60.264 62.100 0.210 0.000 0.980 487 T CB 1.222 70.171 68.868 0.135 0.000 0.924 487 T HN 0.421 nan 8.240 nan 0.000 0.456 488 P HA -0.056 nan 4.420 nan 0.000 0.222 488 P C 1.138 178.405 177.300 -0.055 0.000 1.147 488 P CA 0.611 63.747 63.100 0.060 0.000 0.790 488 P CB 0.383 32.101 31.700 0.031 0.000 0.780 489 R N 0.497 120.912 120.500 -0.142 0.000 2.082 489 R HA -0.050 4.286 4.340 -0.007 0.000 0.228 489 R C 2.747 178.917 176.300 -0.216 0.000 1.140 489 R CA 1.791 57.760 56.100 -0.218 0.000 0.920 489 R CB -1.377 28.791 30.300 -0.221 0.000 0.828 489 R HN 0.085 nan 8.270 nan 0.000 0.430 490 R N -0.702 119.608 120.500 -0.316 0.000 2.092 490 R HA -0.121 4.215 4.340 -0.007 0.000 0.231 490 R C 1.092 176.989 176.300 -0.672 0.000 1.119 490 R CA 1.583 57.343 56.100 -0.566 0.000 0.970 490 R CB -0.218 29.618 30.300 -0.773 0.000 0.864 490 R HN 0.318 nan 8.270 nan 0.000 0.440 491 W N -0.112 121.139 121.300 -0.082 0.000 3.405 491 W HA 0.175 4.830 4.660 -0.008 0.000 0.300 491 W C 0.929 177.411 176.519 -0.061 0.000 1.286 491 W CA -0.666 56.629 57.345 -0.084 0.000 1.762 491 W CB 0.434 29.850 29.460 -0.073 0.000 1.087 491 W HN 0.242 nan 8.180 nan 0.000 0.703 492 L N -2.552 118.699 121.223 0.046 0.000 2.376 492 L HA 0.166 4.502 4.340 -0.007 0.000 0.153 492 L C 1.707 178.577 176.870 0.001 0.000 1.272 492 L CA 0.651 55.527 54.840 0.060 0.000 1.005 492 L CB -0.802 41.323 42.059 0.110 0.000 2.027 492 L HN -0.273 nan 8.230 nan 0.000 0.495 493 V N 1.210 121.102 119.914 -0.037 0.000 2.332 493 V HA -0.253 3.863 4.120 -0.007 0.000 0.248 493 V C 2.369 178.422 176.094 -0.067 0.000 1.055 493 V CA 2.563 64.833 62.300 -0.050 0.000 1.038 493 V CB -0.580 31.180 31.823 -0.104 0.000 0.651 493 V HN 0.518 nan 8.190 nan 0.000 0.450 494 L N 0.189 121.339 121.223 -0.122 0.000 2.145 494 L HA -0.085 4.251 4.340 -0.007 0.000 0.201 494 L C 2.432 179.215 176.870 -0.145 0.000 1.075 494 L CA 1.734 56.489 54.840 -0.142 0.000 0.773 494 L CB -0.109 41.824 42.059 -0.209 0.000 0.936 494 L HN 0.593 nan 8.230 nan 0.000 0.451 495 C N -1.382 117.817 119.300 -0.169 0.000 2.514 495 C HA 0.207 4.663 4.460 -0.007 0.000 0.271 495 C C 1.135 176.083 174.990 -0.070 0.000 1.399 495 C CA -0.255 58.682 59.018 -0.134 0.000 1.765 495 C CB -1.247 26.403 27.740 -0.150 0.000 1.893 495 C HN 0.597 nan 8.230 nan 0.000 0.531 496 N N 1.123 119.798 118.700 -0.042 0.000 2.711 496 N HA 0.275 5.011 4.740 -0.007 0.000 0.263 496 N C -1.705 173.803 175.510 -0.002 0.000 1.667 496 N CA -1.636 51.404 53.050 -0.017 0.000 0.785 496 N CB 0.731 39.218 38.487 -0.000 0.000 1.231 496 N HN 0.231 nan 8.380 nan 0.000 0.503 497 P HA -0.006 nan 4.420 nan 0.000 0.222 497 P C 1.327 178.636 177.300 0.014 0.000 1.147 497 P CA 0.711 63.815 63.100 0.006 0.000 0.790 497 P CB 0.299 31.996 31.700 -0.005 0.000 0.780 498 G N 0.898 109.699 108.800 0.002 0.000 2.433 498 G HA2 -0.237 3.719 3.960 -0.007 0.000 0.216 498 G HA3 -0.237 3.719 3.960 -0.007 0.000 0.216 498 G C 1.499 176.399 174.900 -0.001 0.000 1.186 498 G CA 0.602 45.701 45.100 -0.002 0.000 0.779 498 G HN 0.245 nan 8.290 nan 0.000 0.543 499 L N 1.317 122.539 121.223 -0.002 0.000 2.056 499 L HA 0.195 4.531 4.340 -0.007 0.000 0.207 499 L C 3.062 179.952 176.870 0.033 0.000 1.078 499 L CA 2.101 56.936 54.840 -0.008 0.000 0.749 499 L CB -0.617 41.439 42.059 -0.005 0.000 0.901 499 L HN 0.231 nan 8.230 nan 0.000 0.433 500 A N -1.015 121.851 122.820 0.076 0.000 2.019 500 A HA -0.254 4.062 4.320 -0.007 0.000 0.219 500 A C 2.302 179.976 177.584 0.151 0.000 1.164 500 A CA 1.766 53.904 52.037 0.169 0.000 0.644 500 A CB -0.638 18.463 19.000 0.167 0.000 0.805 500 A HN 0.649 nan 8.150 nan 0.000 0.449 501 E N 0.285 120.534 120.200 0.082 0.000 2.028 501 E HA -0.163 4.183 4.350 -0.007 0.000 0.190 501 E C 1.934 178.571 176.600 0.061 0.000 0.984 501 E CA 1.399 57.840 56.400 0.069 0.000 0.800 501 E CB -0.318 29.404 29.700 0.037 0.000 0.758 501 E HN 0.744 nan 8.360 nan 0.000 0.448 502 I N -1.038 119.555 120.570 0.038 0.000 2.454 502 I HA -0.157 4.009 4.170 -0.007 0.000 0.254 502 I C 2.131 178.316 176.117 0.113 0.000 1.156 502 I CA 1.140 62.470 61.300 0.049 0.000 1.433 502 I CB -0.216 37.770 38.000 -0.022 0.000 1.082 502 I HN 0.081 nan 8.210 nan 0.000 0.432 503 I N 1.537 122.149 120.570 0.069 0.000 2.286 503 I HA -0.150 4.016 4.170 -0.007 0.000 0.245 503 I C 2.914 179.002 176.117 -0.049 0.000 1.104 503 I CA 1.173 62.470 61.300 -0.005 0.000 1.397 503 I CB -0.495 37.379 38.000 -0.210 0.000 1.072 503 I HN 0.334 nan 8.210 nan 0.000 0.417 504 A N 0.765 123.631 122.820 0.075 0.000 1.898 504 A HA -0.211 4.105 4.320 -0.007 0.000 0.216 504 A C 2.138 179.759 177.584 0.061 0.000 1.181 504 A CA 1.552 53.682 52.037 0.155 0.000 0.620 504 A CB -0.579 18.545 19.000 0.206 0.000 0.819 504 A HN 0.435 nan 8.150 nan 0.000 0.442 505 E N -0.792 119.428 120.200 0.034 0.000 2.130 505 E HA -0.240 4.106 4.350 -0.007 0.000 0.196 505 E C 2.272 178.843 176.600 -0.047 0.000 0.998 505 E CA 1.419 57.823 56.400 0.006 0.000 0.806 505 E CB -0.111 29.594 29.700 0.009 0.000 0.738 505 E HN 0.380 nan 8.360 nan 0.000 0.459 506 R N 0.362 120.788 120.500 -0.124 0.000 2.057 506 R HA 0.080 4.416 4.340 -0.007 0.000 0.224 506 R C 2.122 178.324 176.300 -0.163 0.000 1.136 506 R CA 1.086 57.017 56.100 -0.282 0.000 0.968 506 R CB -0.024 29.863 30.300 -0.689 0.000 0.863 506 R HN 0.304 nan 8.270 nan 0.000 0.433 507 I N -3.074 117.426 120.570 -0.116 0.000 3.936 507 I HA 0.500 4.666 4.170 -0.007 0.000 0.330 507 I C 0.355 176.506 176.117 0.056 0.000 1.509 507 I CA 0.019 61.301 61.300 -0.030 0.000 1.126 507 I CB 0.628 38.599 38.000 -0.050 0.000 1.115 507 I HN 0.195 nan 8.210 nan 0.000 0.424 508 G N 1.907 110.756 108.800 0.081 0.000 2.728 508 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.294 508 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.294 508 G C -0.065 174.981 174.900 0.243 0.000 1.342 508 G CA 0.090 45.264 45.100 0.125 0.000 0.866 508 G HN 0.475 nan 8.290 nan 0.000 0.534 509 E N -0.327 119.971 120.200 0.163 0.000 2.481 509 E HA 0.075 4.421 4.350 -0.007 0.000 0.198 509 E C 1.775 178.364 176.600 -0.019 0.000 1.027 509 E CA -0.065 56.383 56.400 0.080 0.000 0.900 509 E CB 0.306 30.025 29.700 0.031 0.000 0.993 509 E HN 0.487 nan 8.360 nan 0.000 0.482 510 E N 0.640 120.885 120.200 0.075 0.000 2.267 510 E HA -0.194 4.152 4.350 -0.007 0.000 0.197 510 E C 1.663 178.274 176.600 0.018 0.000 0.998 510 E CA 0.948 57.376 56.400 0.047 0.000 0.830 510 E CB -0.096 29.649 29.700 0.074 0.000 0.751 510 E HN 0.547 nan 8.360 nan 0.000 0.491 511 Y N -1.113 119.196 120.300 0.015 0.000 2.574 511 Y HA 0.011 4.558 4.550 -0.005 0.000 0.294 511 Y C 1.820 177.702 175.900 -0.030 0.000 1.142 511 Y CA 0.441 58.541 58.100 0.001 0.000 1.314 511 Y CB -0.719 37.746 38.460 0.008 0.000 0.991 511 Y HN -0.074 nan 8.280 nan 0.000 0.555 512 I N 0.559 120.733 120.570 -0.659 0.000 2.928 512 I HA -0.112 4.053 4.170 -0.007 0.000 0.266 512 I C 0.754 176.651 176.117 -0.367 0.000 1.234 512 I CA 1.082 62.013 61.300 -0.616 0.000 1.483 512 I CB -0.225 37.306 38.000 -0.781 0.000 1.097 512 I HN 0.285 nan 8.210 nan 0.000 0.455 513 S N -1.037 114.556 115.700 -0.178 0.000 2.809 513 S HA 0.270 4.736 4.470 -0.007 0.000 0.248 513 S C -0.072 174.517 174.600 -0.020 0.000 1.071 513 S CA -0.460 57.694 58.200 -0.077 0.000 1.059 513 S CB 0.340 63.551 63.200 0.017 0.000 0.923 513 S HN 0.229 nan 8.310 nan 0.000 0.516 514 D N 0.978 121.373 120.400 -0.008 0.000 3.595 514 D HA 0.138 4.774 4.640 -0.007 0.000 0.253 514 D C 0.617 176.958 176.300 0.069 0.000 1.395 514 D CA -0.228 53.790 54.000 0.030 0.000 0.820 514 D CB -0.270 40.554 40.800 0.040 0.000 1.431 514 D HN 0.166 nan 8.370 nan 0.000 0.690 515 L N 0.223 121.486 121.223 0.067 0.000 2.187 515 L HA -0.128 4.208 4.340 -0.007 0.000 0.213 515 L C 1.420 178.342 176.870 0.087 0.000 1.100 515 L CA 1.139 56.049 54.840 0.117 0.000 0.765 515 L CB 0.061 42.179 42.059 0.098 0.000 0.904 515 L HN 0.279 nan 8.230 nan 0.000 0.437 516 D N -0.275 120.150 120.400 0.043 0.000 2.265 516 D HA -0.211 4.425 4.640 -0.007 0.000 0.208 516 D C 1.921 178.242 176.300 0.034 0.000 0.977 516 D CA 0.944 54.955 54.000 0.018 0.000 0.871 516 D CB 0.034 40.831 40.800 -0.005 0.000 0.925 516 D HN 0.540 nan 8.370 nan 0.000 0.485 517 Q N -0.092 119.745 119.800 0.062 0.000 2.500 517 Q HA -0.094 4.242 4.340 -0.007 0.000 0.213 517 Q C 1.889 177.912 176.000 0.039 0.000 0.974 517 Q CA 0.032 55.871 55.803 0.061 0.000 0.918 517 Q CB 0.098 28.895 28.738 0.099 0.000 0.980 517 Q HN 0.178 nan 8.270 nan 0.000 0.505 518 L N 1.255 122.499 121.223 0.035 0.000 2.191 518 L HA -0.173 4.163 4.340 -0.007 0.000 0.212 518 L C 2.165 179.036 176.870 0.002 0.000 1.103 518 L CA 1.639 56.468 54.840 -0.018 0.000 0.769 518 L CB -0.304 41.761 42.059 0.011 0.000 0.908 518 L HN 0.210 nan 8.230 nan 0.000 0.438 519 R N -1.045 119.464 120.500 0.016 0.000 2.339 519 R HA -0.088 4.248 4.340 -0.007 0.000 0.199 519 R C 1.513 177.821 176.300 0.012 0.000 1.018 519 R CA 0.604 56.714 56.100 0.017 0.000 1.036 519 R CB -0.519 29.787 30.300 0.011 0.000 0.899 519 R HN 0.267 nan 8.270 nan 0.000 0.473 520 K N 0.409 120.816 120.400 0.013 0.000 2.439 520 K HA -0.014 4.303 4.320 -0.007 0.000 0.197 520 K C 1.049 177.677 176.600 0.047 0.000 1.041 520 K CA 0.344 56.641 56.287 0.016 0.000 0.970 520 K CB 0.046 32.563 32.500 0.029 0.000 0.773 520 K HN 0.098 nan 8.250 nan 0.000 0.479 521 L N 0.898 122.154 121.223 0.055 0.000 2.549 521 L HA -0.109 4.227 4.340 -0.007 0.000 0.229 521 L C 1.684 178.611 176.870 0.095 0.000 1.158 521 L CA 1.007 55.911 54.840 0.106 0.000 0.842 521 L CB -0.603 41.508 42.059 0.088 0.000 0.952 521 L HN 0.127 nan 8.230 nan 0.000 0.452 522 L N -0.978 120.262 121.223 0.030 0.000 2.131 522 L HA -0.129 4.207 4.340 -0.007 0.000 0.210 522 L C 2.387 179.212 176.870 -0.075 0.000 1.092 522 L CA 1.278 56.118 54.840 -0.001 0.000 0.759 522 L CB -1.227 40.823 42.059 -0.014 0.000 0.903 522 L HN 0.256 nan 8.230 nan 0.000 0.435 523 S N -1.619 113.968 115.700 -0.189 0.000 2.507 523 S HA -0.123 4.343 4.470 -0.007 0.000 0.235 523 S C 1.097 175.306 174.600 -0.651 0.000 0.988 523 S CA 0.649 58.586 58.200 -0.439 0.000 0.944 523 S CB -0.340 62.499 63.200 -0.602 0.000 0.762 523 S HN 0.447 nan 8.310 nan 0.000 0.526 524 Y N 0.292 120.504 120.300 -0.147 0.000 2.584 524 Y HA 0.246 4.794 4.550 -0.003 0.000 0.254 524 Y C 1.752 177.672 175.900 0.032 0.000 1.177 524 Y CA -0.656 57.348 58.100 -0.160 0.000 1.216 524 Y CB -0.188 37.917 38.460 -0.593 0.000 1.172 524 Y HN 0.182 nan 8.280 nan 0.000 0.529 525 V N -3.108 116.873 119.914 0.111 0.000 3.078 525 V HA -0.107 4.009 4.120 -0.007 0.000 0.265 525 V C 0.625 176.782 176.094 0.106 0.000 1.122 525 V CA 1.719 64.099 62.300 0.133 0.000 1.141 525 V CB -0.040 31.826 31.823 0.073 0.000 0.735 525 V HN 0.216 nan 8.190 nan 0.000 0.498 526 D N -0.087 120.354 120.400 0.069 0.000 2.440 526 D HA 0.168 4.804 4.640 -0.007 0.000 0.216 526 D C 0.141 176.488 176.300 0.079 0.000 1.150 526 D CA 0.121 54.153 54.000 0.054 0.000 0.832 526 D CB 0.315 41.121 40.800 0.010 0.000 0.992 526 D HN 0.552 nan 8.370 nan 0.000 0.502 527 D N 1.704 122.193 120.400 0.148 0.000 2.313 527 D HA -0.000 4.636 4.640 -0.007 0.000 0.239 527 D C 0.933 177.345 176.300 0.187 0.000 1.142 527 D CA -0.093 54.016 54.000 0.181 0.000 0.847 527 D CB 1.534 42.523 40.800 0.315 0.000 1.082 527 D HN -0.119 nan 8.370 nan 0.000 0.480 528 E N 2.677 122.952 120.200 0.124 0.000 2.268 528 E HA -0.124 4.222 4.350 -0.007 0.000 0.195 528 E C 1.451 178.115 176.600 0.107 0.000 0.995 528 E CA 0.339 56.799 56.400 0.100 0.000 0.836 528 E CB 0.337 30.075 29.700 0.064 0.000 0.763 528 E HN 0.638 nan 8.360 nan 0.000 0.491 529 A N 0.299 123.198 122.820 0.132 0.000 1.930 529 A HA -0.121 4.195 4.320 -0.007 0.000 0.215 529 A C 1.888 179.566 177.584 0.157 0.000 1.176 529 A CA 0.577 52.684 52.037 0.117 0.000 0.632 529 A CB -0.586 18.482 19.000 0.112 0.000 0.819 529 A HN 0.267 nan 8.150 nan 0.000 0.445 530 F N 0.401 120.367 119.950 0.027 0.000 2.146 530 F HA -0.112 4.413 4.527 -0.004 0.000 0.298 530 F C 1.869 177.680 175.800 0.017 0.000 1.096 530 F CA 1.126 59.129 58.000 0.005 0.000 1.275 530 F CB -0.340 38.682 39.000 0.036 0.000 1.008 530 F HN 0.144 nan 8.300 nan 0.000 0.480 531 I N 0.439 121.080 120.570 0.119 0.000 2.163 531 I HA -0.305 3.861 4.170 -0.007 0.000 0.243 531 I C 2.513 178.601 176.117 -0.048 0.000 1.085 531 I CA 1.496 62.803 61.300 0.010 0.000 1.347 531 I CB -0.653 37.383 38.000 0.060 0.000 1.044 531 I HN 0.024 nan 8.210 nan 0.000 0.408 532 R N 0.045 120.535 120.500 -0.016 0.000 2.081 532 R HA -0.171 4.165 4.340 -0.007 0.000 0.235 532 R C 1.924 178.183 176.300 -0.068 0.000 1.131 532 R CA 1.550 57.633 56.100 -0.029 0.000 0.960 532 R CB -0.530 29.767 30.300 -0.005 0.000 0.856 532 R HN 0.386 nan 8.270 nan 0.000 0.436 533 D N 0.232 120.572 120.400 -0.099 0.000 2.078 533 D HA -0.120 4.516 4.640 -0.007 0.000 0.193 533 D C 2.057 178.232 176.300 -0.207 0.000 0.990 533 D CA 1.117 55.032 54.000 -0.141 0.000 0.827 533 D CB -0.316 40.386 40.800 -0.163 0.000 0.975 533 D HN -0.054 nan 8.370 nan 0.000 0.451 534 V N 1.575 121.284 119.914 -0.343 0.000 2.252 534 V HA -0.289 3.827 4.120 -0.007 0.000 0.249 534 V C 2.502 178.511 176.094 -0.143 0.000 1.056 534 V CA 2.134 64.249 62.300 -0.309 0.000 1.022 534 V CB -0.867 30.728 31.823 -0.380 0.000 0.641 534 V HN 0.218 nan 8.190 nan 0.000 0.445 535 A N -1.033 121.728 122.820 -0.099 0.000 2.067 535 A HA -0.181 4.135 4.320 -0.007 0.000 0.219 535 A C 2.171 179.726 177.584 -0.048 0.000 1.158 535 A CA 1.770 53.780 52.037 -0.045 0.000 0.661 535 A CB -0.388 18.593 19.000 -0.031 0.000 0.801 535 A HN 0.439 nan 8.150 nan 0.000 0.452 536 K N -0.458 119.905 120.400 -0.062 0.000 2.062 536 K HA 0.035 4.351 4.320 -0.007 0.000 0.205 536 K C 1.725 178.298 176.600 -0.045 0.000 1.051 536 K CA 1.198 57.456 56.287 -0.048 0.000 0.941 536 K CB -0.495 31.977 32.500 -0.046 0.000 0.719 536 K HN 0.234 nan 8.250 nan 0.000 0.440 537 V N 0.855 120.735 119.914 -0.057 0.000 2.490 537 V HA -0.210 3.906 4.120 -0.007 0.000 0.250 537 V C 2.138 178.214 176.094 -0.031 0.000 1.061 537 V CA 1.535 63.809 62.300 -0.044 0.000 1.064 537 V CB -0.384 31.407 31.823 -0.054 0.000 0.670 537 V HN 0.216 nan 8.190 nan 0.000 0.461 538 K N 1.114 121.496 120.400 -0.031 0.000 2.025 538 K HA -0.195 4.121 4.320 -0.007 0.000 0.207 538 K C 2.336 178.912 176.600 -0.039 0.000 1.049 538 K CA 1.805 58.082 56.287 -0.017 0.000 0.933 538 K CB -0.407 32.100 32.500 0.012 0.000 0.714 538 K HN 0.727 nan 8.250 nan 0.000 0.438 539 Q N -0.167 119.608 119.800 -0.042 0.000 2.224 539 Q HA -0.128 4.208 4.340 -0.007 0.000 0.203 539 Q C 1.503 177.482 176.000 -0.036 0.000 0.970 539 Q CA 1.333 57.102 55.803 -0.057 0.000 0.865 539 Q CB -0.211 28.499 28.738 -0.046 0.000 0.922 539 Q HN 0.365 nan 8.270 nan 0.000 0.445 540 E N 0.961 121.150 120.200 -0.019 0.000 2.072 540 E HA -0.127 4.219 4.350 -0.007 0.000 0.191 540 E C 1.806 178.418 176.600 0.020 0.000 0.985 540 E CA 0.938 57.337 56.400 -0.001 0.000 0.801 540 E CB -0.012 29.686 29.700 -0.004 0.000 0.750 540 E HN 0.446 nan 8.360 nan 0.000 0.452 541 N N 1.236 119.945 118.700 0.014 0.000 2.104 541 N HA -0.146 4.590 4.740 -0.007 0.000 0.190 541 N C 1.554 177.120 175.510 0.093 0.000 1.024 541 N CA 1.063 54.139 53.050 0.042 0.000 0.853 541 N CB -0.132 38.366 38.487 0.018 0.000 1.008 541 N HN 0.145 nan 8.380 nan 0.000 0.424 542 K N 0.471 120.883 120.400 0.019 0.000 2.097 542 K HA -0.015 4.301 4.320 -0.007 0.000 0.206 542 K C 2.067 178.769 176.600 0.171 0.000 1.049 542 K CA 0.665 56.960 56.287 0.014 0.000 0.933 542 K CB -0.159 32.089 32.500 -0.419 0.000 0.717 542 K HN 0.157 nan 8.250 nan 0.000 0.442 543 L N 0.986 122.264 121.223 0.092 0.000 2.056 543 L HA -0.171 4.165 4.340 -0.007 0.000 0.207 543 L C 2.566 179.525 176.870 0.147 0.000 1.078 543 L CA 1.230 56.135 54.840 0.109 0.000 0.749 543 L CB -0.304 41.788 42.059 0.055 0.000 0.901 543 L HN 0.112 nan 8.230 nan 0.000 0.433 544 K N -0.334 120.154 120.400 0.146 0.000 2.147 544 K HA -0.225 4.091 4.320 -0.007 0.000 0.205 544 K C 2.079 178.833 176.600 0.257 0.000 1.049 544 K CA 1.386 57.767 56.287 0.157 0.000 0.936 544 K CB -0.110 32.460 32.500 0.117 0.000 0.722 544 K HN 0.097 nan 8.250 nan 0.000 0.446 545 F N 0.776 120.819 119.950 0.156 0.000 2.234 545 F HA 0.110 4.633 4.527 -0.007 0.000 0.296 545 F C 1.895 177.856 175.800 0.267 0.000 1.089 545 F CA 0.899 59.023 58.000 0.207 0.000 1.343 545 F CB -0.526 38.620 39.000 0.244 0.000 1.040 545 F HN 0.054 nan 8.300 nan 0.000 0.498 546 A N 0.262 123.226 122.820 0.241 0.000 1.972 546 A HA -0.011 4.305 4.320 -0.007 0.000 0.219 546 A C 2.397 179.997 177.584 0.026 0.000 1.169 546 A CA 1.661 53.760 52.037 0.104 0.000 0.635 546 A CB -1.412 17.724 19.000 0.227 0.000 0.810 546 A HN 0.438 nan 8.150 nan 0.000 0.446 547 A N -1.390 121.474 122.820 0.074 0.000 1.897 547 A HA -0.035 4.281 4.320 -0.007 0.000 0.215 547 A C 2.097 179.708 177.584 0.045 0.000 1.181 547 A CA 1.483 53.547 52.037 0.045 0.000 0.620 547 A CB -0.823 18.214 19.000 0.061 0.000 0.821 547 A HN 0.746 nan 8.150 nan 0.000 0.443 548 Y N 0.132 120.400 120.300 -0.053 0.000 2.114 548 Y HA -0.233 4.314 4.550 -0.006 0.000 0.282 548 Y C 1.933 177.772 175.900 -0.102 0.000 1.165 548 Y CA 1.942 60.007 58.100 -0.058 0.000 1.148 548 Y CB -0.428 38.033 38.460 0.002 0.000 0.972 548 Y HN 0.202 nan 8.280 nan 0.000 0.504 549 L N 0.834 121.994 121.223 -0.105 0.000 2.013 549 L HA -0.239 4.097 4.340 -0.007 0.000 0.212 549 L C 2.524 179.334 176.870 -0.100 0.000 1.073 549 L CA 2.486 57.231 54.840 -0.158 0.000 0.753 549 L CB -0.959 40.936 42.059 -0.274 0.000 0.890 549 L HN 0.449 nan 8.230 nan 0.000 0.432 550 E N -1.076 119.073 120.200 -0.085 0.000 2.230 550 E HA -0.152 4.194 4.350 -0.007 0.000 0.192 550 E C 2.241 178.777 176.600 -0.106 0.000 0.987 550 E CA 0.329 56.693 56.400 -0.060 0.000 0.841 550 E CB 0.076 29.752 29.700 -0.040 0.000 0.783 550 E HN 0.504 nan 8.360 nan 0.000 0.481 551 R N 0.244 120.660 120.500 -0.141 0.000 2.189 551 R HA -0.007 4.329 4.340 -0.007 0.000 0.218 551 R C 1.202 177.339 176.300 -0.272 0.000 1.074 551 R CA 1.184 57.192 56.100 -0.153 0.000 0.991 551 R CB -0.036 30.200 30.300 -0.106 0.000 0.883 551 R HN 0.104 nan 8.270 nan 0.000 0.457 552 E N -0.743 119.165 120.200 -0.487 0.000 2.498 552 E HA 0.116 4.462 4.350 -0.007 0.000 0.203 552 E C -0.244 175.824 176.600 -0.886 0.000 1.013 552 E CA 0.140 56.099 56.400 -0.736 0.000 0.927 552 E CB 0.431 29.467 29.700 -1.107 0.000 1.012 552 E HN 0.280 nan 8.360 nan 0.000 0.482 553 Y N 0.256 120.440 120.300 -0.193 0.000 2.966 553 Y HA 0.393 4.939 4.550 -0.007 0.000 0.235 553 Y C -0.522 175.328 175.900 -0.083 0.000 2.373 553 Y CA -0.879 57.150 58.100 -0.119 0.000 0.920 553 Y CB 0.444 38.831 38.460 -0.122 0.000 1.791 553 Y HN -0.293 nan 8.280 nan 0.000 0.441 554 K N -0.651 119.822 120.400 0.121 0.000 2.557 554 K HA 0.664 4.980 4.320 -0.007 0.000 0.257 554 K C -1.370 175.265 176.600 0.058 0.000 0.933 554 K CA -0.125 56.197 56.287 0.058 0.000 0.820 554 K CB 1.989 34.525 32.500 0.059 0.000 1.330 554 K HN 0.353 nan 8.250 nan 0.000 0.432 555 V N 2.146 122.091 119.914 0.051 0.000 3.930 555 V HA 0.181 4.297 4.120 -0.007 0.000 0.172 555 V C -0.426 175.735 176.094 0.112 0.000 1.399 555 V CA 0.575 62.905 62.300 0.050 0.000 1.191 555 V CB -0.492 31.334 31.823 0.005 0.000 1.204 555 V HN 1.062 nan 8.190 nan 0.000 0.584 556 H N 1.932 121.003 119.070 0.002 0.000 2.458 556 H HA -0.175 4.377 4.556 -0.007 0.000 0.298 556 H C -0.249 175.082 175.328 0.006 0.000 0.859 556 H CA 0.517 56.571 56.048 0.011 0.000 0.974 556 H CB -0.581 29.193 29.762 0.020 0.000 1.584 556 H HN 0.517 nan 8.280 nan 0.000 0.307 557 I N 0.303 121.014 120.570 0.234 0.000 2.982 557 I HA 0.430 4.596 4.170 -0.007 0.000 0.312 557 I C 0.176 176.447 176.117 0.256 0.000 1.041 557 I CA -1.278 60.115 61.300 0.154 0.000 1.053 557 I CB 1.765 39.788 38.000 0.039 0.000 1.248 557 I HN 0.392 nan 8.210 nan 0.000 0.471 558 N N 2.541 121.370 118.700 0.216 0.000 2.419 558 N HA 0.453 5.189 4.740 -0.007 0.000 0.277 558 N C -2.319 173.354 175.510 0.272 0.000 1.006 558 N CA -2.494 50.690 53.050 0.223 0.000 0.923 558 N CB 1.696 40.278 38.487 0.157 0.000 1.140 558 N HN 0.324 nan 8.380 nan 0.000 0.488 559 P HA 0.123 nan 4.420 nan 0.000 0.240 559 P C -0.211 177.146 177.300 0.095 0.000 1.190 559 P CA 0.719 63.952 63.100 0.220 0.000 0.781 559 P CB 0.168 31.951 31.700 0.139 0.000 0.931 560 N N -0.508 118.260 118.700 0.114 0.000 2.451 560 N HA 0.152 4.888 4.740 -0.007 0.000 0.264 560 N C -0.393 175.206 175.510 0.148 0.000 1.167 560 N CA -0.164 52.937 53.050 0.085 0.000 0.898 560 N CB 0.070 38.598 38.487 0.069 0.000 1.176 560 N HN -0.047 nan 8.380 nan 0.000 0.507 561 S N -0.106 115.700 115.700 0.177 0.000 2.738 561 S HA 0.323 4.789 4.470 -0.007 0.000 0.284 561 S C -0.261 174.363 174.600 0.039 0.000 1.146 561 S CA -0.712 57.583 58.200 0.158 0.000 0.997 561 S CB 1.407 64.739 63.200 0.220 0.000 1.081 561 S HN 0.229 nan 8.310 nan 0.000 0.553 562 L N 1.997 123.076 121.223 -0.240 0.000 2.331 562 L HA 0.400 4.736 4.340 -0.007 0.000 0.278 562 L C -1.420 175.438 176.870 -0.021 0.000 1.106 562 L CA -0.373 54.091 54.840 -0.626 0.000 0.824 562 L CB 0.123 41.659 42.059 -0.872 0.000 1.142 562 L HN 0.445 nan 8.230 nan 0.000 0.443 563 F N 3.601 123.449 119.950 -0.171 0.000 2.350 563 F HA 0.254 4.777 4.527 -0.005 0.000 0.365 563 F C 0.239 176.001 175.800 -0.065 0.000 1.122 563 F CA -1.121 56.854 58.000 -0.042 0.000 1.139 563 F CB 0.719 39.749 39.000 0.051 0.000 1.220 563 F HN 0.387 nan 8.300 nan 0.000 0.499 564 D N 3.936 124.360 120.400 0.040 0.000 2.392 564 D HA 0.386 5.022 4.640 -0.007 0.000 0.228 564 D C -1.259 175.008 176.300 -0.054 0.000 1.074 564 D CA -0.050 53.929 54.000 -0.035 0.000 0.838 564 D CB 1.551 42.309 40.800 -0.070 0.000 1.067 564 D HN 0.350 nan 8.370 nan 0.000 0.511 565 V N 3.286 123.149 119.914 -0.086 0.000 2.760 565 V HA 0.517 4.633 4.120 -0.007 0.000 0.309 565 V C -1.739 174.257 176.094 -0.164 0.000 1.077 565 V CA -0.664 61.582 62.300 -0.091 0.000 0.910 565 V CB 2.011 33.839 31.823 0.008 0.000 1.008 565 V HN 0.572 nan 8.190 nan 0.000 0.424 566 Q N 4.422 124.129 119.800 -0.154 0.000 2.363 566 Q HA 0.693 5.029 4.340 -0.007 0.000 0.265 566 Q C -1.439 174.432 176.000 -0.216 0.000 1.032 566 Q CA -0.636 55.061 55.803 -0.176 0.000 0.746 566 Q CB 1.807 30.454 28.738 -0.152 0.000 1.237 566 Q HN 1.049 nan 8.270 nan 0.000 0.475 567 V N 1.783 121.562 119.914 -0.226 0.000 2.487 567 V HA 0.846 4.962 4.120 -0.007 0.000 0.298 567 V C -0.768 175.051 176.094 -0.459 0.000 1.028 567 V CA -0.619 61.356 62.300 -0.541 0.000 0.860 567 V CB 1.131 32.489 31.823 -0.775 0.000 0.991 567 V HN 0.871 nan 8.190 nan 0.000 0.427 568 K N 2.858 123.013 120.400 -0.408 0.000 3.073 568 K HA 0.394 4.710 4.320 -0.007 0.000 0.300 568 K C -1.071 175.497 176.600 -0.054 0.000 1.082 568 K CA -1.242 54.973 56.287 -0.121 0.000 0.803 568 K CB 1.283 33.722 32.500 -0.102 0.000 1.488 568 K HN 0.852 nan 8.250 nan 0.000 0.372 569 R N 1.283 121.807 120.500 0.040 0.000 2.543 569 R HA 0.231 4.567 4.340 -0.007 0.000 0.277 569 R C -0.208 176.106 176.300 0.024 0.000 1.074 569 R CA -0.628 55.519 56.100 0.079 0.000 1.076 569 R CB 0.265 30.648 30.300 0.138 0.000 0.993 569 R HN 0.431 nan 8.270 nan 0.000 0.459 570 I N 4.021 124.609 120.570 0.029 0.000 2.471 570 I HA 0.151 4.317 4.170 -0.007 0.000 0.286 570 I C 0.367 176.454 176.117 -0.051 0.000 1.079 570 I CA 0.446 61.725 61.300 -0.034 0.000 1.398 570 I CB -0.067 37.917 38.000 -0.026 0.000 1.403 570 I HN 0.720 nan 8.210 nan 0.000 0.530 571 H N 5.067 124.013 119.070 -0.206 0.000 3.037 571 H HA 0.235 4.787 4.556 -0.007 0.000 0.336 571 H C 0.026 175.245 175.328 -0.183 0.000 1.323 571 H CA -0.453 55.518 56.048 -0.128 0.000 1.159 571 H CB 1.474 31.230 29.762 -0.011 0.000 1.882 571 H HN 0.553 nan 8.280 nan 0.000 0.535 572 E N 1.271 121.677 120.200 0.343 0.000 2.158 572 E HA -0.125 4.221 4.350 -0.007 0.000 0.191 572 E C 1.295 177.684 176.600 -0.351 0.000 0.982 572 E CA 1.187 57.625 56.400 0.064 0.000 0.823 572 E CB -0.007 29.872 29.700 0.298 0.000 0.766 572 E HN 0.567 nan 8.360 nan 0.000 0.468 573 Y N 0.938 120.679 120.300 -0.932 0.000 2.421 573 Y HA 0.052 4.598 4.550 -0.007 0.000 0.292 573 Y C 1.522 177.117 175.900 -0.509 0.000 1.136 573 Y CA 0.652 58.025 58.100 -1.212 0.000 1.255 573 Y CB -0.169 37.562 38.460 -1.215 0.000 0.991 573 Y HN -0.222 nan 8.280 nan 0.000 0.552 574 K N 0.680 120.492 120.400 -0.980 0.000 2.439 574 K HA 0.018 4.334 4.320 -0.007 0.000 0.197 574 K C 0.250 176.637 176.600 -0.355 0.000 1.041 574 K CA 0.576 56.427 56.287 -0.727 0.000 0.970 574 K CB -0.081 32.012 32.500 -0.678 0.000 0.773 574 K HN 0.244 nan 8.250 nan 0.000 0.479 575 R N 0.086 120.423 120.500 -0.271 0.000 3.422 575 R HA -0.226 4.110 4.340 -0.007 0.000 0.267 575 R C 0.370 176.585 176.300 -0.141 0.000 1.074 575 R CA 0.118 56.123 56.100 -0.159 0.000 0.718 575 R CB -1.524 28.698 30.300 -0.131 0.000 1.157 575 R HN 0.214 nan 8.270 nan 0.000 0.440 576 Q N 0.124 119.843 119.800 -0.135 0.000 2.181 576 Q HA -0.079 4.257 4.340 -0.007 0.000 0.205 576 Q C 1.853 177.803 176.000 -0.084 0.000 0.980 576 Q CA 1.590 57.328 55.803 -0.107 0.000 0.862 576 Q CB 0.006 28.689 28.738 -0.092 0.000 0.905 576 Q HN 0.592 nan 8.270 nan 0.000 0.429 577 L N -0.641 120.536 121.223 -0.076 0.000 2.042 577 L HA -0.218 4.118 4.340 -0.007 0.000 0.210 577 L C 2.040 178.902 176.870 -0.013 0.000 1.076 577 L CA 0.730 55.540 54.840 -0.050 0.000 0.749 577 L CB -0.433 41.608 42.059 -0.029 0.000 0.893 577 L HN 0.296 nan 8.230 nan 0.000 0.432 578 L N 0.031 121.232 121.223 -0.037 0.000 2.046 578 L HA -0.261 4.075 4.340 -0.007 0.000 0.208 578 L C 2.134 179.011 176.870 0.010 0.000 1.077 578 L CA 1.917 56.732 54.840 -0.041 0.000 0.747 578 L CB -0.884 41.023 42.059 -0.253 0.000 0.896 578 L HN 0.310 nan 8.230 nan 0.000 0.432 579 N N -1.546 117.134 118.700 -0.033 0.000 2.166 579 N HA -0.229 4.507 4.740 -0.007 0.000 0.186 579 N C 1.884 177.476 175.510 0.137 0.000 1.019 579 N CA 1.471 54.604 53.050 0.138 0.000 0.856 579 N CB -0.080 38.434 38.487 0.045 0.000 0.993 579 N HN 0.489 nan 8.380 nan 0.000 0.426 580 C N 0.669 119.986 119.300 0.029 0.000 2.425 580 C HA -0.041 4.415 4.460 -0.007 0.000 0.277 580 C C 2.599 177.597 174.990 0.014 0.000 1.280 580 C CA 0.283 59.279 59.018 -0.038 0.000 1.744 580 C CB -1.150 26.516 27.740 -0.124 0.000 1.989 580 C HN 0.506 nan 8.230 nan 0.000 0.491 581 L N -0.363 120.926 121.223 0.110 0.000 2.141 581 L HA -0.160 4.176 4.340 -0.007 0.000 0.209 581 L C 2.677 179.710 176.870 0.272 0.000 1.094 581 L CA 1.564 56.512 54.840 0.181 0.000 0.763 581 L CB -1.142 41.076 42.059 0.264 0.000 0.908 581 L HN 0.597 nan 8.230 nan 0.000 0.437 582 H N 0.087 119.298 119.070 0.235 0.000 2.357 582 H HA -0.122 4.430 4.556 -0.007 0.000 0.301 582 H C 2.210 177.561 175.328 0.038 0.000 1.082 582 H CA 1.700 57.819 56.048 0.118 0.000 1.342 582 H CB 0.460 30.237 29.762 0.025 0.000 1.389 582 H HN 0.087 nan 8.280 nan 0.000 0.511 583 V N 1.482 121.352 119.914 -0.072 0.000 2.343 583 V HA -0.261 3.855 4.120 -0.007 0.000 0.247 583 V C 2.475 178.524 176.094 -0.076 0.000 1.051 583 V CA 1.854 64.067 62.300 -0.145 0.000 1.036 583 V CB -0.405 31.370 31.823 -0.081 0.000 0.654 583 V HN 0.381 nan 8.190 nan 0.000 0.451 584 I N -0.929 119.645 120.570 0.007 0.000 2.928 584 I HA -0.055 4.111 4.170 -0.007 0.000 0.266 584 I C 2.211 178.413 176.117 0.142 0.000 1.234 584 I CA 0.971 62.373 61.300 0.170 0.000 1.483 584 I CB -1.700 36.469 38.000 0.282 0.000 1.097 584 I HN 0.092 nan 8.210 nan 0.000 0.455 585 T N 1.400 115.978 114.554 0.040 0.000 2.720 585 T HA -0.132 4.214 4.350 -0.007 0.000 0.268 585 T C 1.867 176.523 174.700 -0.073 0.000 1.037 585 T CA 1.621 63.731 62.100 0.016 0.000 1.144 585 T CB -0.356 68.545 68.868 0.055 0.000 0.864 585 T HN 0.234 nan 8.240 nan 0.000 0.444 586 L N 0.208 121.319 121.223 -0.187 0.000 2.027 586 L HA 0.009 4.345 4.340 -0.007 0.000 0.206 586 L C 2.182 179.013 176.870 -0.066 0.000 1.074 586 L CA 1.601 56.325 54.840 -0.193 0.000 0.745 586 L CB -0.882 40.981 42.059 -0.327 0.000 0.898 586 L HN 0.345 nan 8.230 nan 0.000 0.433 587 Y N 0.177 120.419 120.300 -0.097 0.000 2.165 587 Y HA -0.291 4.254 4.550 -0.007 0.000 0.286 587 Y C 2.319 178.210 175.900 -0.015 0.000 1.155 587 Y CA 2.140 60.221 58.100 -0.033 0.000 1.164 587 Y CB -0.432 38.045 38.460 0.029 0.000 0.978 587 Y HN 0.314 nan 8.280 nan 0.000 0.513 588 N N 0.281 118.875 118.700 -0.177 0.000 2.270 588 N HA -0.085 4.651 4.740 -0.007 0.000 0.181 588 N C 1.942 177.328 175.510 -0.206 0.000 1.016 588 N CA 1.060 53.950 53.050 -0.268 0.000 0.870 588 N CB -0.324 38.107 38.487 -0.094 0.000 0.979 588 N HN 0.427 nan 8.380 nan 0.000 0.431 589 R N 0.655 121.070 120.500 -0.142 0.000 2.073 589 R HA 0.064 4.400 4.340 -0.007 0.000 0.234 589 R C 2.251 178.470 176.300 -0.135 0.000 1.134 589 R CA 0.875 56.904 56.100 -0.117 0.000 0.952 589 R CB -0.206 30.034 30.300 -0.100 0.000 0.850 589 R HN 0.184 nan 8.270 nan 0.000 0.433 590 I N 0.580 121.057 120.570 -0.154 0.000 2.127 590 I HA -0.297 3.869 4.170 -0.007 0.000 0.241 590 I C 2.267 178.283 176.117 -0.168 0.000 1.075 590 I CA 1.201 62.416 61.300 -0.143 0.000 1.334 590 I CB -0.217 37.706 38.000 -0.130 0.000 1.040 590 I HN 0.026 nan 8.210 nan 0.000 0.405 591 K N 1.122 121.358 120.400 -0.273 0.000 2.281 591 K HA -0.224 4.092 4.320 -0.007 0.000 0.203 591 K C 1.878 178.372 176.600 -0.177 0.000 1.046 591 K CA 1.462 57.583 56.287 -0.276 0.000 0.938 591 K CB -0.085 32.123 32.500 -0.487 0.000 0.737 591 K HN 0.011 nan 8.250 nan 0.000 0.458 592 K N 0.744 121.053 120.400 -0.151 0.000 2.202 592 K HA 0.026 4.342 4.320 -0.007 0.000 0.201 592 K C -0.395 176.157 176.600 -0.080 0.000 1.051 592 K CA 0.813 57.034 56.287 -0.109 0.000 0.977 592 K CB 0.477 32.917 32.500 -0.100 0.000 0.792 592 K HN 0.271 nan 8.250 nan 0.000 0.469 593 E N -0.073 120.082 120.200 -0.075 0.000 3.037 593 E HA 0.240 4.586 4.350 -0.007 0.000 0.220 593 E C -2.431 174.141 176.600 -0.047 0.000 1.142 593 E CA -1.845 54.523 56.400 -0.052 0.000 0.888 593 E CB 1.431 31.105 29.700 -0.043 0.000 1.329 593 E HN 0.001 nan 8.360 nan 0.000 0.409 594 P HA -0.073 nan 4.420 nan 0.000 0.234 594 P C 0.092 177.381 177.300 -0.018 0.000 1.167 594 P CA 0.554 63.628 63.100 -0.042 0.000 0.763 594 P CB 0.195 31.870 31.700 -0.041 0.000 0.835 595 N N -0.363 118.333 118.700 -0.006 0.000 2.389 595 N HA 0.062 4.798 4.740 -0.007 0.000 0.260 595 N C 0.049 175.579 175.510 0.033 0.000 1.191 595 N CA -0.034 53.025 53.050 0.015 0.000 0.885 595 N CB 0.539 39.032 38.487 0.010 0.000 1.162 595 N HN 0.226 nan 8.380 nan 0.000 0.512 596 K N 0.683 121.099 120.400 0.026 0.000 2.110 596 K HA 0.191 4.507 4.320 -0.007 0.000 0.263 596 K C -0.688 175.970 176.600 0.096 0.000 0.975 596 K CA -0.473 55.841 56.287 0.046 0.000 0.895 596 K CB 1.085 33.587 32.500 0.004 0.000 1.060 596 K HN -0.209 nan 8.250 nan 0.000 0.448 597 F N 3.821 123.756 119.950 -0.025 0.000 2.389 597 F HA 0.458 4.981 4.527 -0.007 0.000 0.337 597 F C -0.770 175.014 175.800 -0.026 0.000 1.112 597 F CA -0.273 57.714 58.000 -0.022 0.000 1.192 597 F CB 1.119 40.107 39.000 -0.020 0.000 1.185 597 F HN 0.180 nan 8.300 nan 0.000 0.552 598 V N 5.586 124.934 119.914 -0.942 0.000 3.120 598 V HA 0.432 4.548 4.120 -0.007 0.000 0.303 598 V C -1.531 173.938 176.094 -1.041 0.000 1.238 598 V CA -0.840 61.048 62.300 -0.686 0.000 1.008 598 V CB 2.435 34.060 31.823 -0.330 0.000 1.064 598 V HN 0.598 nan 8.190 nan 0.000 0.434 599 V N 6.827 126.359 119.914 -0.637 0.000 2.488 599 V HA 0.334 4.450 4.120 -0.007 0.000 0.277 599 V C -2.119 173.814 176.094 -0.268 0.000 1.046 599 V CA -1.271 60.777 62.300 -0.420 0.000 0.986 599 V CB 1.192 32.902 31.823 -0.188 0.000 0.989 599 V HN 0.814 nan 8.190 nan 0.000 0.475 600 P HA 0.290 nan 4.420 nan 0.000 0.268 600 P C -0.658 176.590 177.300 -0.088 0.000 1.205 600 P CA -0.142 62.902 63.100 -0.094 0.000 0.771 600 P CB 0.476 32.170 31.700 -0.010 0.000 0.858 601 R N 1.253 121.708 120.500 -0.075 0.000 2.621 601 R HA 0.482 4.818 4.340 -0.007 0.000 0.284 601 R C -0.891 175.385 176.300 -0.040 0.000 0.998 601 R CA -0.520 55.535 56.100 -0.075 0.000 0.895 601 R CB 1.240 31.483 30.300 -0.095 0.000 1.195 601 R HN 0.269 nan 8.270 nan 0.000 0.450 602 T N 2.144 116.687 114.554 -0.019 0.000 2.801 602 T HA 0.252 4.598 4.350 -0.007 0.000 0.306 602 T C 0.024 174.656 174.700 -0.114 0.000 1.020 602 T CA -0.415 61.633 62.100 -0.087 0.000 0.948 602 T CB 1.049 69.811 68.868 -0.176 0.000 0.962 602 T HN 0.172 nan 8.240 nan 0.000 0.465 603 V N 6.141 125.996 119.914 -0.099 0.000 2.406 603 V HA 0.423 4.539 4.120 -0.007 0.000 0.272 603 V C 0.099 176.131 176.094 -0.104 0.000 1.043 603 V CA -0.387 61.861 62.300 -0.086 0.000 0.915 603 V CB 0.726 32.511 31.823 -0.063 0.000 0.988 603 V HN 0.848 nan 8.190 nan 0.000 0.466 604 M N 6.475 126.009 119.600 -0.109 0.000 2.311 604 M HA 0.641 5.117 4.480 -0.007 0.000 0.325 604 M C -0.973 175.243 176.300 -0.140 0.000 1.061 604 M CA -0.177 55.052 55.300 -0.119 0.000 0.957 604 M CB 2.207 34.750 32.600 -0.094 0.000 1.646 604 M HN 0.413 nan 8.290 nan 0.000 0.434 605 I N 1.273 121.733 120.570 -0.184 0.000 2.647 605 I HA 0.911 5.077 4.170 -0.007 0.000 0.295 605 I C -0.055 175.766 176.117 -0.494 0.000 1.078 605 I CA -0.580 60.589 61.300 -0.219 0.000 1.048 605 I CB 2.547 40.495 38.000 -0.086 0.000 1.239 605 I HN 0.827 nan 8.210 nan 0.000 0.421 606 G N 2.585 111.030 108.800 -0.591 0.000 2.632 606 G HA2 0.756 4.712 3.960 -0.007 0.000 0.292 606 G HA3 0.756 4.712 3.960 -0.007 0.000 0.292 606 G C -1.230 173.334 174.900 -0.560 0.000 1.465 606 G CA -0.285 44.233 45.100 -0.971 0.000 0.824 606 G HN 1.019 nan 8.290 nan 0.000 0.509 607 G N -0.582 108.036 108.800 -0.302 0.000 2.339 607 G HA2 0.482 4.438 3.960 -0.007 0.000 0.302 607 G HA3 0.482 4.438 3.960 -0.007 0.000 0.302 607 G C -1.368 173.631 174.900 0.165 0.000 1.425 607 G CA -0.925 44.152 45.100 -0.037 0.000 0.899 607 G HN 0.603 nan 8.290 nan 0.000 0.619 608 K N -0.561 119.951 120.400 0.187 0.000 2.106 608 K HA 0.807 5.123 4.320 -0.007 0.000 0.246 608 K C -0.014 176.708 176.600 0.204 0.000 0.987 608 K CA -0.256 56.163 56.287 0.220 0.000 0.904 608 K CB 2.024 34.572 32.500 0.080 0.000 1.071 608 K HN 0.899 nan 8.250 nan 0.000 0.453 609 A N 0.807 123.781 122.820 0.257 0.000 2.365 609 A HA 0.677 4.993 4.320 -0.007 0.000 0.318 609 A C -0.887 176.866 177.584 0.283 0.000 1.091 609 A CA -0.787 51.346 52.037 0.160 0.000 0.763 609 A CB 1.384 20.413 19.000 0.048 0.000 1.248 609 A HN 0.726 nan 8.150 nan 0.000 0.442 610 A N 3.160 126.134 122.820 0.257 0.000 2.477 610 A HA 0.574 4.890 4.320 -0.007 0.000 0.246 610 A C -2.385 175.314 177.584 0.191 0.000 1.078 610 A CA -0.979 51.231 52.037 0.288 0.000 0.770 610 A CB -0.690 18.450 19.000 0.233 0.000 1.011 610 A HN 0.558 nan 8.150 nan 0.000 0.494 611 P HA 0.240 nan 4.420 nan 0.000 0.265 611 P C 1.185 178.510 177.300 0.041 0.000 1.187 611 P CA 1.743 64.829 63.100 -0.024 0.000 0.766 611 P CB 0.647 32.263 31.700 -0.140 0.000 0.820 612 G N 1.930 110.758 108.800 0.046 0.000 2.383 612 G HA2 -0.303 3.653 3.960 -0.007 0.000 0.229 612 G HA3 -0.303 3.653 3.960 -0.007 0.000 0.229 612 G C -0.036 174.940 174.900 0.127 0.000 1.089 612 G CA -0.271 44.869 45.100 0.067 0.000 0.640 612 G HN 0.551 nan 8.290 nan 0.000 0.510 613 Y N 3.931 124.208 120.300 -0.040 0.000 2.644 613 Y HA 0.328 4.874 4.550 -0.007 0.000 0.354 613 Y C 1.684 177.590 175.900 0.011 0.000 1.166 613 Y CA -0.094 57.962 58.100 -0.074 0.000 1.591 613 Y CB -0.969 37.400 38.460 -0.151 0.000 1.346 613 Y HN 0.493 nan 8.280 nan 0.000 0.497 614 H N 3.615 122.807 119.070 0.205 0.000 2.321 614 H HA -0.254 4.298 4.556 -0.007 0.000 0.295 614 H C 1.667 177.062 175.328 0.113 0.000 1.102 614 H CA 2.332 58.457 56.048 0.127 0.000 1.266 614 H CB 0.397 30.223 29.762 0.106 0.000 1.363 614 H HN 0.620 nan 8.280 nan 0.000 0.492 615 M N 0.843 120.510 119.600 0.112 0.000 2.086 615 M HA -0.064 4.412 4.480 -0.007 0.000 0.261 615 M C 2.624 178.752 176.300 -0.286 0.000 1.067 615 M CA 1.836 57.100 55.300 -0.059 0.000 1.116 615 M CB -0.792 31.908 32.600 0.166 0.000 1.348 615 M HN 0.358 nan 8.290 nan 0.000 0.407 616 A N -0.322 122.114 122.820 -0.641 0.000 1.933 616 A HA -0.162 4.154 4.320 -0.007 0.000 0.218 616 A C 2.123 179.546 177.584 -0.268 0.000 1.175 616 A CA 1.536 53.210 52.037 -0.606 0.000 0.628 616 A CB -0.609 17.849 19.000 -0.903 0.000 0.814 616 A HN 0.453 nan 8.150 nan 0.000 0.444 617 K N -0.918 119.386 120.400 -0.160 0.000 2.148 617 K HA -0.044 4.272 4.320 -0.007 0.000 0.204 617 K C 1.892 178.491 176.600 -0.001 0.000 1.050 617 K CA 1.004 57.280 56.287 -0.018 0.000 0.942 617 K CB -0.332 32.214 32.500 0.077 0.000 0.724 617 K HN 0.410 nan 8.250 nan 0.000 0.446 618 M N 0.515 120.059 119.600 -0.093 0.000 2.156 618 M HA -0.026 4.450 4.480 -0.007 0.000 0.264 618 M C 2.317 178.574 176.300 -0.071 0.000 1.067 618 M CA 1.145 56.427 55.300 -0.030 0.000 1.131 618 M CB -0.731 31.801 32.600 -0.114 0.000 1.368 618 M HN 0.045 nan 8.290 nan 0.000 0.416 619 I N 0.154 120.644 120.570 -0.133 0.000 2.208 619 I HA -0.341 3.825 4.170 -0.007 0.000 0.245 619 I C 2.321 178.309 176.117 -0.215 0.000 1.097 619 I CA 1.243 62.446 61.300 -0.163 0.000 1.363 619 I CB -0.344 37.561 38.000 -0.159 0.000 1.051 619 I HN 0.201 nan 8.210 nan 0.000 0.413 620 I N 0.645 121.072 120.570 -0.239 0.000 2.208 620 I HA -0.333 3.833 4.170 -0.007 0.000 0.245 620 I C 2.586 178.397 176.117 -0.510 0.000 1.097 620 I CA 1.385 62.433 61.300 -0.420 0.000 1.363 620 I CB -0.366 37.382 38.000 -0.421 0.000 1.051 620 I HN 0.186 nan 8.210 nan 0.000 0.413 621 K N 1.491 121.613 120.400 -0.463 0.000 2.097 621 K HA -0.121 4.195 4.320 -0.007 0.000 0.205 621 K C 2.006 178.407 176.600 -0.331 0.000 1.050 621 K CA 1.323 57.260 56.287 -0.583 0.000 0.938 621 K CB -0.440 31.476 32.500 -0.974 0.000 0.718 621 K HN 0.237 nan 8.250 nan 0.000 0.442 622 L N 0.350 121.382 121.223 -0.318 0.000 2.012 622 L HA -0.177 4.159 4.340 -0.007 0.000 0.210 622 L C 2.134 178.717 176.870 -0.480 0.000 1.073 622 L CA 1.548 56.020 54.840 -0.613 0.000 0.748 622 L CB -0.234 41.446 42.059 -0.633 0.000 0.891 622 L HN 0.251 nan 8.230 nan 0.000 0.431 623 I N -0.710 119.646 120.570 -0.357 0.000 2.252 623 I HA -0.274 3.892 4.170 -0.007 0.000 0.245 623 I C 2.496 178.464 176.117 -0.249 0.000 1.102 623 I CA 1.748 62.894 61.300 -0.258 0.000 1.385 623 I CB -0.677 37.263 38.000 -0.100 0.000 1.064 623 I HN 0.386 nan 8.210 nan 0.000 0.414 624 T N -0.453 113.918 114.554 -0.305 0.000 2.904 624 T HA 0.019 4.365 4.350 -0.007 0.000 0.267 624 T C 2.051 176.631 174.700 -0.201 0.000 1.059 624 T CA 0.825 62.780 62.100 -0.242 0.000 1.137 624 T CB -0.421 68.256 68.868 -0.319 0.000 0.879 624 T HN 0.349 nan 8.240 nan 0.000 0.467 625 A N 1.702 124.391 122.820 -0.219 0.000 1.902 625 A HA 0.078 4.394 4.320 -0.007 0.000 0.217 625 A C 2.368 179.862 177.584 -0.150 0.000 1.181 625 A CA 1.230 53.191 52.037 -0.126 0.000 0.623 625 A CB -0.863 18.105 19.000 -0.053 0.000 0.818 625 A HN 0.552 nan 8.150 nan 0.000 0.443 626 I N -0.438 119.948 120.570 -0.306 0.000 2.179 626 I HA -0.213 3.953 4.170 -0.007 0.000 0.242 626 I C 2.734 178.721 176.117 -0.217 0.000 1.088 626 I CA 1.226 62.330 61.300 -0.327 0.000 1.357 626 I CB -0.708 37.036 38.000 -0.426 0.000 1.051 626 I HN 0.411 nan 8.210 nan 0.000 0.409 627 G N 0.220 108.904 108.800 -0.193 0.000 2.442 627 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.219 627 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.219 627 G C 1.304 176.096 174.900 -0.181 0.000 1.141 627 G CA 0.863 45.858 45.100 -0.176 0.000 0.763 627 G HN 0.286 nan 8.290 nan 0.000 0.554 628 D N 0.085 120.421 120.400 -0.106 0.000 2.117 628 D HA -0.090 4.546 4.640 -0.007 0.000 0.197 628 D C 2.773 179.068 176.300 -0.008 0.000 0.987 628 D CA 0.854 54.852 54.000 -0.003 0.000 0.829 628 D CB -0.228 40.578 40.800 0.011 0.000 0.961 628 D HN 0.219 nan 8.370 nan 0.000 0.460 629 V N 0.531 120.387 119.914 -0.098 0.000 2.239 629 V HA -0.184 3.932 4.120 -0.007 0.000 0.242 629 V C 2.711 178.682 176.094 -0.206 0.000 1.038 629 V CA 1.001 63.206 62.300 -0.158 0.000 1.002 629 V CB -0.612 31.058 31.823 -0.254 0.000 0.641 629 V HN 0.014 nan 8.190 nan 0.000 0.449 630 V N 0.968 120.687 119.914 -0.326 0.000 2.282 630 V HA -0.265 3.851 4.120 -0.007 0.000 0.249 630 V C 2.113 178.087 176.094 -0.200 0.000 1.057 630 V CA 2.245 64.360 62.300 -0.309 0.000 1.032 630 V CB -0.949 30.690 31.823 -0.306 0.000 0.645 630 V HN 0.585 nan 8.190 nan 0.000 0.447 631 N N -0.546 117.951 118.700 -0.337 0.000 2.571 631 N HA -0.077 4.659 4.740 -0.007 0.000 0.189 631 N C 0.940 176.077 175.510 -0.621 0.000 1.154 631 N CA 0.807 53.580 53.050 -0.461 0.000 0.907 631 N CB -0.286 37.846 38.487 -0.592 0.000 0.977 631 N HN 0.716 nan 8.380 nan 0.000 0.449 632 H N -1.505 117.545 119.070 -0.033 0.000 2.567 632 H HA 0.201 4.753 4.556 -0.007 0.000 0.267 632 H C -0.638 174.692 175.328 0.003 0.000 1.148 632 H CA -0.535 55.500 56.048 -0.021 0.000 1.031 632 H CB 0.710 30.454 29.762 -0.030 0.000 1.691 632 H HN -0.026 nan 8.280 nan 0.000 0.588 633 D N 2.223 122.667 120.400 0.072 0.000 2.249 633 D HA 0.045 4.681 4.640 -0.007 0.000 0.246 633 D C -1.465 174.881 176.300 0.076 0.000 1.114 633 D CA -2.012 52.056 54.000 0.112 0.000 0.854 633 D CB 1.955 42.881 40.800 0.210 0.000 1.132 633 D HN 0.160 nan 8.370 nan 0.000 0.461 634 P HA -0.054 nan 4.420 nan 0.000 0.233 634 P C 1.122 178.440 177.300 0.029 0.000 1.167 634 P CA 0.251 63.374 63.100 0.038 0.000 0.770 634 P CB 0.583 32.303 31.700 0.033 0.000 0.837 635 V N -0.570 119.365 119.914 0.035 0.000 3.649 635 V HA -0.027 4.089 4.120 -0.007 0.000 0.275 635 V C 2.363 178.464 176.094 0.012 0.000 1.281 635 V CA 0.697 63.007 62.300 0.016 0.000 1.143 635 V CB 0.063 31.888 31.823 0.004 0.000 0.892 635 V HN -0.047 nan 8.190 nan 0.000 0.441 636 V N -0.334 119.598 119.914 0.029 0.000 2.521 636 V HA 0.429 4.545 4.120 -0.007 0.000 0.239 636 V C 1.717 177.815 176.094 0.006 0.000 1.053 636 V CA 1.437 63.751 62.300 0.023 0.000 1.073 636 V CB -0.262 31.600 31.823 0.066 0.000 0.746 636 V HN 0.628 nan 8.190 nan 0.000 0.476 637 G N 0.613 109.413 108.800 -0.000 0.000 2.514 637 G HA2 -0.304 3.652 3.960 -0.007 0.000 0.265 637 G HA3 -0.304 3.652 3.960 -0.007 0.000 0.265 637 G C 0.448 175.328 174.900 -0.034 0.000 1.150 637 G CA 0.401 45.491 45.100 -0.017 0.000 0.959 637 G HN 0.325 nan 8.290 nan 0.000 0.556 638 D N 0.727 121.113 120.400 -0.023 0.000 2.277 638 D HA 0.003 4.639 4.640 -0.007 0.000 0.208 638 D C 2.575 178.868 176.300 -0.012 0.000 0.962 638 D CA 0.772 54.760 54.000 -0.019 0.000 0.865 638 D CB 0.038 40.849 40.800 0.019 0.000 0.939 638 D HN 0.399 nan 8.370 nan 0.000 0.510 639 R N 0.035 120.525 120.500 -0.015 0.000 2.139 639 R HA 0.006 4.342 4.340 -0.007 0.000 0.243 639 R C 0.830 177.104 176.300 -0.043 0.000 1.145 639 R CA 0.780 56.858 56.100 -0.037 0.000 0.976 639 R CB 0.175 30.446 30.300 -0.048 0.000 0.866 639 R HN 0.124 nan 8.270 nan 0.000 0.449 640 L N 0.039 121.242 121.223 -0.033 0.000 2.445 640 L HA 0.472 4.808 4.340 -0.007 0.000 0.262 640 L C -1.022 175.816 176.870 -0.054 0.000 0.974 640 L CA -0.972 53.844 54.840 -0.041 0.000 0.822 640 L CB 2.040 44.088 42.059 -0.018 0.000 1.339 640 L HN 0.001 nan 8.230 nan 0.000 0.409 641 R N 2.649 123.108 120.500 -0.068 0.000 2.574 641 R HA 0.642 4.978 4.340 -0.007 0.000 0.288 641 R C -1.517 174.723 176.300 -0.100 0.000 1.004 641 R CA -0.680 55.367 56.100 -0.089 0.000 0.895 641 R CB 2.458 32.712 30.300 -0.076 0.000 1.191 641 R HN 0.281 nan 8.270 nan 0.000 0.444 642 V N 4.829 124.674 119.914 -0.115 0.000 2.540 642 V HA 0.573 4.689 4.120 -0.007 0.000 0.302 642 V C -0.172 175.865 176.094 -0.095 0.000 1.035 642 V CA -0.697 61.541 62.300 -0.105 0.000 0.873 642 V CB 2.243 33.996 31.823 -0.116 0.000 0.992 642 V HN 0.507 nan 8.190 nan 0.000 0.428 643 I N 4.078 124.600 120.570 -0.080 0.000 2.686 643 I HA 0.420 4.586 4.170 -0.007 0.000 0.295 643 I C -0.996 175.109 176.117 -0.019 0.000 1.114 643 I CA -0.484 60.779 61.300 -0.062 0.000 1.038 643 I CB 2.138 40.080 38.000 -0.097 0.000 1.238 643 I HN 0.593 nan 8.210 nan 0.000 0.420 644 F N 6.273 126.147 119.950 -0.126 0.000 2.404 644 F HA 0.462 4.986 4.527 -0.006 0.000 0.354 644 F C -0.539 175.197 175.800 -0.107 0.000 1.122 644 F CA -0.678 57.252 58.000 -0.117 0.000 1.080 644 F CB 0.972 39.898 39.000 -0.123 0.000 1.131 644 F HN 0.192 nan 8.300 nan 0.000 0.471 645 L N 6.145 126.989 121.223 -0.632 0.000 2.363 645 L HA 0.185 4.521 4.340 -0.007 0.000 0.286 645 L C 0.302 176.979 176.870 -0.321 0.000 1.106 645 L CA 0.099 54.731 54.840 -0.347 0.000 0.859 645 L CB 0.141 42.075 42.059 -0.207 0.000 1.223 645 L HN 0.622 nan 8.230 nan 0.000 0.446 646 E N 3.510 123.639 120.200 -0.119 0.000 2.392 646 E HA -0.059 4.287 4.350 -0.007 0.000 0.264 646 E C 0.321 176.990 176.600 0.115 0.000 1.024 646 E CA -0.251 56.187 56.400 0.062 0.000 0.903 646 E CB 0.308 29.999 29.700 -0.015 0.000 0.963 646 E HN 0.544 nan 8.360 nan 0.000 0.432 647 N N 2.753 121.569 118.700 0.194 0.000 2.671 647 N HA -0.274 4.462 4.740 -0.007 0.000 0.261 647 N C -1.633 174.002 175.510 0.208 0.000 1.053 647 N CA 0.539 53.714 53.050 0.207 0.000 0.732 647 N CB -1.414 37.200 38.487 0.212 0.000 0.887 647 N HN 0.470 nan 8.380 nan 0.000 0.546 648 Y N 1.940 122.270 120.300 0.050 0.000 2.480 648 Y HA 0.364 4.910 4.550 -0.007 0.000 0.338 648 Y C 1.210 177.148 175.900 0.065 0.000 1.220 648 Y CA 0.429 58.547 58.100 0.030 0.000 1.430 648 Y CB 0.499 38.946 38.460 -0.021 0.000 1.311 648 Y HN 0.466 nan 8.280 nan 0.000 0.575 649 R N 2.113 122.288 120.500 -0.542 0.000 2.855 649 R HA 0.261 4.597 4.340 -0.007 0.000 0.274 649 R C -0.605 175.368 176.300 -0.544 0.000 0.997 649 R CA -0.380 55.497 56.100 -0.372 0.000 0.856 649 R CB 0.069 30.343 30.300 -0.043 0.000 1.378 649 R HN 0.438 nan 8.270 nan 0.000 0.462 650 V N 1.082 120.740 119.914 -0.426 0.000 2.287 650 V HA -0.202 3.914 4.120 -0.007 0.000 0.248 650 V C 2.187 178.153 176.094 -0.213 0.000 1.053 650 V CA 2.720 64.812 62.300 -0.346 0.000 1.027 650 V CB -0.586 31.024 31.823 -0.356 0.000 0.646 650 V HN 0.798 nan 8.190 nan 0.000 0.447 651 S N -0.433 115.174 115.700 -0.154 0.000 2.500 651 S HA -0.083 4.383 4.470 -0.007 0.000 0.239 651 S C 1.600 176.142 174.600 -0.097 0.000 0.989 651 S CA 1.005 59.134 58.200 -0.118 0.000 0.951 651 S CB -0.173 62.987 63.200 -0.066 0.000 0.759 651 S HN 0.422 nan 8.310 nan 0.000 0.523 652 L N 1.022 122.187 121.223 -0.097 0.000 2.298 652 L HA 0.394 4.730 4.340 -0.007 0.000 0.209 652 L C 2.170 179.033 176.870 -0.013 0.000 1.084 652 L CA 1.029 55.866 54.840 -0.004 0.000 0.816 652 L CB -0.882 41.258 42.059 0.135 0.000 0.967 652 L HN 0.169 nan 8.230 nan 0.000 0.460 653 A N -0.341 122.433 122.820 -0.077 0.000 1.908 653 A HA -0.229 4.087 4.320 -0.007 0.000 0.218 653 A C 2.085 179.695 177.584 0.042 0.000 1.181 653 A CA 1.867 53.938 52.037 0.056 0.000 0.627 653 A CB -0.624 18.419 19.000 0.071 0.000 0.818 653 A HN 0.573 nan 8.150 nan 0.000 0.445 654 E N -0.432 119.757 120.200 -0.018 0.000 2.333 654 E HA -0.167 4.179 4.350 -0.007 0.000 0.198 654 E C 1.741 178.262 176.600 -0.132 0.000 1.007 654 E CA 1.203 57.540 56.400 -0.104 0.000 0.845 654 E CB -0.044 29.523 29.700 -0.221 0.000 0.766 654 E HN 0.641 nan 8.360 nan 0.000 0.507 655 K N -0.272 120.030 120.400 -0.163 0.000 2.287 655 K HA 0.069 4.385 4.320 -0.007 0.000 0.199 655 K C 1.997 178.336 176.600 -0.435 0.000 1.061 655 K CA 0.249 56.405 56.287 -0.219 0.000 0.976 655 K CB 0.316 32.679 32.500 -0.229 0.000 0.898 655 K HN -0.055 nan 8.250 nan 0.000 0.492 656 V N 1.657 121.277 119.914 -0.490 0.000 2.878 656 V HA -0.028 4.088 4.120 -0.007 0.000 0.250 656 V C 1.723 177.570 176.094 -0.411 0.000 1.075 656 V CA 0.936 62.756 62.300 -0.800 0.000 1.096 656 V CB -0.092 31.424 31.823 -0.511 0.000 0.724 656 V HN 0.203 nan 8.190 nan 0.000 0.467 657 I N 0.637 121.010 120.570 -0.329 0.000 2.353 657 I HA -0.064 4.102 4.170 -0.007 0.000 0.248 657 I C -0.334 175.662 176.117 -0.202 0.000 1.119 657 I CA 1.115 62.152 61.300 -0.439 0.000 1.417 657 I CB -1.281 36.320 38.000 -0.665 0.000 1.078 657 I HN 0.347 nan 8.210 nan 0.000 0.421 658 P HA -0.159 nan 4.420 nan 0.000 0.219 658 P C 1.025 178.314 177.300 -0.018 0.000 1.146 658 P CA 1.375 64.440 63.100 -0.058 0.000 0.808 658 P CB 0.054 31.721 31.700 -0.055 0.000 0.779 659 A N -1.514 121.286 122.820 -0.034 0.000 2.308 659 A HA 0.487 4.803 4.320 -0.007 0.000 0.217 659 A C 1.124 178.821 177.584 0.189 0.000 1.216 659 A CA 0.107 52.188 52.037 0.073 0.000 0.864 659 A CB -0.560 18.547 19.000 0.178 0.000 0.902 659 A HN 0.190 nan 8.150 nan 0.000 0.499 660 A N -0.090 122.855 122.820 0.208 0.000 2.354 660 A HA 0.484 4.800 4.320 -0.007 0.000 0.269 660 A C 0.364 178.111 177.584 0.272 0.000 1.109 660 A CA -0.228 52.005 52.037 0.325 0.000 0.800 660 A CB 0.385 19.670 19.000 0.474 0.000 1.045 660 A HN 0.285 nan 8.150 nan 0.000 0.489 661 D N 0.860 121.416 120.400 0.260 0.000 2.414 661 D HA 0.102 4.738 4.640 -0.007 0.000 0.237 661 D C 0.254 176.751 176.300 0.329 0.000 0.975 661 D CA 0.761 54.964 54.000 0.338 0.000 0.917 661 D CB 0.174 41.099 40.800 0.208 0.000 1.061 661 D HN 0.406 nan 8.370 nan 0.000 0.480 662 L N 0.952 122.270 121.223 0.160 0.000 2.317 662 L HA 0.281 4.617 4.340 -0.007 0.000 0.281 662 L C -0.430 176.300 176.870 -0.234 0.000 1.024 662 L CA -0.292 54.564 54.840 0.028 0.000 0.810 662 L CB 1.999 44.056 42.059 -0.003 0.000 1.240 662 L HN -0.140 nan 8.230 nan 0.000 0.427 663 S N 3.789 119.255 115.700 -0.389 0.000 2.456 663 S HA 0.315 4.781 4.470 -0.007 0.000 0.316 663 S C -0.527 173.810 174.600 -0.440 0.000 1.089 663 S CA -0.730 56.998 58.200 -0.788 0.000 1.101 663 S CB 0.782 63.455 63.200 -0.879 0.000 0.995 663 S HN 0.537 nan 8.310 nan 0.000 0.468 664 E N 3.646 123.611 120.200 -0.392 0.000 2.089 664 E HA 0.223 4.569 4.350 -0.007 0.000 0.284 664 E C -0.838 175.670 176.600 -0.153 0.000 1.023 664 E CA -0.276 56.012 56.400 -0.186 0.000 0.819 664 E CB 1.360 30.973 29.700 -0.146 0.000 1.076 664 E HN 0.519 nan 8.360 nan 0.000 0.396 665 Q N 2.873 122.636 119.800 -0.062 0.000 3.090 665 Q HA 0.329 4.665 4.340 -0.007 0.000 0.241 665 Q C -0.303 175.708 176.000 0.018 0.000 0.958 665 Q CA 0.066 55.842 55.803 -0.046 0.000 0.715 665 Q CB 0.638 29.351 28.738 -0.041 0.000 1.298 665 Q HN 0.504 nan 8.270 nan 0.000 0.468 666 I N 0.621 121.188 120.570 -0.004 0.000 3.531 666 I HA 0.189 4.355 4.170 -0.007 0.000 0.341 666 I C -0.217 175.876 176.117 -0.040 0.000 1.550 666 I CA -0.134 61.195 61.300 0.049 0.000 1.087 666 I CB 0.599 38.626 38.000 0.045 0.000 1.408 666 I HN 0.284 nan 8.210 nan 0.000 0.484 667 S N 0.375 116.037 115.700 -0.063 0.000 2.585 667 S HA 0.179 4.645 4.470 -0.007 0.000 0.273 667 S C 0.566 175.149 174.600 -0.028 0.000 1.339 667 S CA -0.418 57.753 58.200 -0.049 0.000 1.028 667 S CB 0.543 63.745 63.200 0.002 0.000 0.906 667 S HN 0.263 nan 8.310 nan 0.000 0.528 668 T N 2.783 117.350 114.554 0.022 0.000 2.888 668 T HA 0.329 4.675 4.350 -0.007 0.000 0.301 668 T C 0.606 175.313 174.700 0.010 0.000 1.001 668 T CA -0.275 61.839 62.100 0.024 0.000 1.147 668 T CB 0.204 69.148 68.868 0.126 0.000 0.931 668 T HN 0.785 nan 8.240 nan 0.000 0.541 669 A N 2.703 125.499 122.820 -0.041 0.000 2.545 669 A HA 0.480 4.796 4.320 -0.007 0.000 0.253 669 A C 1.545 179.122 177.584 -0.011 0.000 1.074 669 A CA 0.279 52.291 52.037 -0.040 0.000 0.760 669 A CB -0.857 18.103 19.000 -0.067 0.000 1.005 669 A HN 1.578 nan 8.150 nan 0.000 0.506 670 G N 1.448 110.247 108.800 -0.003 0.000 2.192 670 G HA2 -0.164 3.792 3.960 -0.007 0.000 0.193 670 G HA3 -0.164 3.792 3.960 -0.007 0.000 0.193 670 G C 0.677 175.575 174.900 -0.002 0.000 0.999 670 G CA 0.889 45.989 45.100 0.000 0.000 0.659 670 G HN 1.783 nan 8.290 nan 0.000 0.503 671 T N -2.401 112.155 114.554 0.003 0.000 2.999 671 T HA 0.445 4.791 4.350 -0.007 0.000 0.247 671 T C 0.651 175.276 174.700 -0.125 0.000 1.012 671 T CA 0.922 62.970 62.100 -0.087 0.000 1.048 671 T CB 0.802 69.657 68.868 -0.021 0.000 1.020 671 T HN 0.276 nan 8.240 nan 0.000 0.478 672 E N 1.085 121.307 120.200 0.035 0.000 2.283 672 E HA 0.681 5.027 4.350 -0.007 0.000 0.278 672 E C 1.011 177.576 176.600 -0.058 0.000 1.027 672 E CA 0.158 56.603 56.400 0.076 0.000 0.843 672 E CB 1.278 31.040 29.700 0.103 0.000 1.062 672 E HN 0.267 nan 8.360 nan 0.000 0.401 673 A N 3.137 125.865 122.820 -0.152 0.000 1.872 673 A HA -0.038 4.278 4.320 -0.007 0.000 0.214 673 A C 1.803 179.297 177.584 -0.150 0.000 1.187 673 A CA 1.731 53.548 52.037 -0.368 0.000 0.614 673 A CB -0.217 18.439 19.000 -0.573 0.000 0.826 673 A HN 0.574 nan 8.150 nan 0.000 0.442 674 S N -3.626 112.037 115.700 -0.062 0.000 4.948 674 S HA 0.473 4.939 4.470 -0.007 0.000 0.154 674 S C 0.395 174.991 174.600 -0.008 0.000 1.026 674 S CA 1.437 59.634 58.200 -0.004 0.000 1.308 674 S CB 0.189 63.407 63.200 0.031 0.000 1.915 674 S HN 2.170 nan 8.310 nan 0.000 0.680 675 G N 0.230 109.028 108.800 -0.003 0.000 2.911 675 G HA2 0.021 3.977 3.960 -0.007 0.000 0.686 675 G HA3 0.021 3.977 3.960 -0.007 0.000 0.686 675 G C -0.036 174.843 174.900 -0.035 0.000 1.136 675 G CA 0.192 45.284 45.100 -0.015 0.000 0.764 675 G HN 0.546 nan 8.290 nan 0.000 0.626 676 T N 0.780 115.298 114.554 -0.061 0.000 2.958 676 T HA 0.311 4.657 4.350 -0.007 0.000 0.256 676 T C 2.369 176.960 174.700 -0.182 0.000 0.983 676 T CA 1.682 63.717 62.100 -0.108 0.000 0.924 676 T CB -0.189 68.622 68.868 -0.094 0.000 1.136 676 T HN 1.457 nan 8.240 nan 0.000 0.506 677 G N 1.482 110.199 108.800 -0.137 0.000 2.418 677 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.217 677 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.217 677 G C 1.338 176.236 174.900 -0.003 0.000 1.158 677 G CA 0.989 46.017 45.100 -0.119 0.000 0.771 677 G HN 0.577 nan 8.290 nan 0.000 0.545 678 N N 0.028 118.725 118.700 -0.004 0.000 2.184 678 N HA -0.308 4.428 4.740 -0.007 0.000 0.188 678 N C 2.285 177.771 175.510 -0.040 0.000 0.923 678 N CA 2.312 55.346 53.050 -0.026 0.000 0.897 678 N CB -0.280 38.138 38.487 -0.115 0.000 1.060 678 N HN 0.324 nan 8.380 nan 0.000 0.763 679 M N 0.581 120.094 119.600 -0.145 0.000 2.175 679 M HA -0.107 4.369 4.480 -0.007 0.000 0.264 679 M C 1.924 178.161 176.300 -0.104 0.000 1.063 679 M CA 1.359 56.558 55.300 -0.169 0.000 1.119 679 M CB -0.154 32.357 32.600 -0.148 0.000 1.377 679 M HN 0.105 nan 8.290 nan 0.000 0.415 680 K N 0.016 120.290 120.400 -0.210 0.000 2.103 680 K HA -0.121 4.195 4.320 -0.007 0.000 0.207 680 K C 1.516 178.018 176.600 -0.163 0.000 1.048 680 K CA 1.313 57.428 56.287 -0.286 0.000 0.930 680 K CB -0.234 31.887 32.500 -0.631 0.000 0.716 680 K HN 0.229 nan 8.250 nan 0.000 0.444 681 F N 0.521 120.398 119.950 -0.121 0.000 2.710 681 F HA 0.098 4.621 4.527 -0.007 0.000 0.298 681 F C 2.222 177.973 175.800 -0.081 0.000 1.137 681 F CA 0.401 58.349 58.000 -0.086 0.000 1.444 681 F CB -0.040 38.898 39.000 -0.103 0.000 1.111 681 F HN -0.020 nan 8.300 nan 0.000 0.580 682 M N -0.462 119.187 119.600 0.081 0.000 2.334 682 M HA 0.062 4.538 4.480 -0.007 0.000 0.266 682 M C 0.528 176.861 176.300 0.055 0.000 1.082 682 M CA 1.112 56.432 55.300 0.034 0.000 1.141 682 M CB 0.218 32.823 32.600 0.008 0.000 1.380 682 M HN -0.027 nan 8.290 nan 0.000 0.440 683 L N 0.761 122.025 121.223 0.067 0.000 2.567 683 L HA 0.191 4.527 4.340 -0.007 0.000 0.238 683 L C 0.907 177.811 176.870 0.057 0.000 1.168 683 L CA -0.618 54.267 54.840 0.076 0.000 0.817 683 L CB 0.182 42.301 42.059 0.100 0.000 1.409 683 L HN 0.391 nan 8.230 nan 0.000 0.502 684 N N -0.204 118.524 118.700 0.048 0.000 2.929 684 N HA -0.192 4.544 4.740 -0.007 0.000 0.234 684 N C 0.696 176.233 175.510 0.046 0.000 0.908 684 N CA 1.279 54.350 53.050 0.035 0.000 0.993 684 N CB -1.236 37.258 38.487 0.012 0.000 1.075 684 N HN 1.020 nan 8.380 nan 0.000 0.603 685 G N 0.152 108.977 108.800 0.043 0.000 2.385 685 G HA2 0.159 4.115 3.960 -0.007 0.000 0.294 685 G HA3 0.159 4.115 3.960 -0.007 0.000 0.294 685 G C -0.013 174.920 174.900 0.055 0.000 1.070 685 G CA 0.994 46.111 45.100 0.029 0.000 1.172 685 G HN 1.123 nan 8.290 nan 0.000 0.516 686 A N 0.295 123.143 122.820 0.046 0.000 2.423 686 A HA 0.937 5.253 4.320 -0.007 0.000 0.304 686 A C -0.647 176.857 177.584 -0.135 0.000 1.104 686 A CA -0.851 51.220 52.037 0.056 0.000 0.757 686 A CB 1.821 20.947 19.000 0.210 0.000 1.313 686 A HN 1.059 nan 8.150 nan 0.000 0.423 687 L N 0.665 121.736 121.223 -0.254 0.000 2.334 687 L HA 0.589 4.925 4.340 -0.007 0.000 0.276 687 L C 0.275 176.944 176.870 -0.335 0.000 1.014 687 L CA 0.261 54.847 54.840 -0.423 0.000 0.815 687 L CB 1.920 43.583 42.059 -0.660 0.000 1.268 687 L HN 0.753 nan 8.230 nan 0.000 0.428 688 T N 4.674 118.895 114.554 -0.555 0.000 2.806 688 T HA 0.483 4.829 4.350 -0.007 0.000 0.290 688 T C -0.093 174.476 174.700 -0.217 0.000 0.966 688 T CA -0.086 61.719 62.100 -0.491 0.000 1.060 688 T CB 0.686 69.069 68.868 -0.807 0.000 0.927 688 T HN 0.458 nan 8.240 nan 0.000 0.485 689 I N 2.500 123.058 120.570 -0.021 0.000 2.377 689 I HA 0.738 4.904 4.170 -0.007 0.000 0.293 689 I C 0.120 176.373 176.117 0.227 0.000 0.987 689 I CA -0.019 61.385 61.300 0.174 0.000 1.185 689 I CB 0.656 38.704 38.000 0.080 0.000 1.341 689 I HN 0.777 nan 8.210 nan 0.000 0.455 690 G N 4.112 113.145 108.800 0.387 0.000 2.559 690 G HA2 0.472 4.428 3.960 -0.007 0.000 0.291 690 G HA3 0.472 4.428 3.960 -0.007 0.000 0.291 690 G C -1.020 173.926 174.900 0.077 0.000 1.424 690 G CA -0.336 44.935 45.100 0.285 0.000 0.786 690 G HN 0.634 nan 8.290 nan 0.000 0.485 691 T N -1.507 112.945 114.554 -0.170 0.000 2.884 691 T HA 0.596 4.942 4.350 -0.007 0.000 0.277 691 T C 0.484 175.093 174.700 -0.152 0.000 0.976 691 T CA -0.808 61.063 62.100 -0.383 0.000 0.956 691 T CB 1.182 69.792 68.868 -0.430 0.000 1.113 691 T HN 0.260 nan 8.240 nan 0.000 0.554 692 M N 2.684 122.197 119.600 -0.145 0.000 2.974 692 M HA 0.411 4.887 4.480 -0.007 0.000 0.301 692 M C -0.627 175.629 176.300 -0.073 0.000 1.409 692 M CA -0.244 55.001 55.300 -0.092 0.000 1.515 692 M CB -1.374 31.174 32.600 -0.086 0.000 1.163 692 M HN 0.733 nan 8.290 nan 0.000 0.520 693 D N 0.115 120.483 120.400 -0.053 0.000 2.596 693 D HA 0.685 5.321 4.640 -0.007 0.000 0.234 693 D C 0.714 177.004 176.300 -0.018 0.000 1.181 693 D CA 0.766 54.746 54.000 -0.033 0.000 0.856 693 D CB 1.770 42.552 40.800 -0.029 0.000 1.498 693 D HN 0.598 nan 8.370 nan 0.000 0.446 694 G N 1.317 110.115 108.800 -0.004 0.000 2.652 694 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.318 694 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.318 694 G C 0.907 175.812 174.900 0.007 0.000 1.295 694 G CA 1.331 46.433 45.100 0.004 0.000 0.999 694 G HN 1.152 nan 8.290 nan 0.000 0.548 695 A N -0.034 122.786 122.820 -0.000 0.000 2.278 695 A HA 0.272 4.588 4.320 -0.007 0.000 0.212 695 A C 1.931 179.485 177.584 -0.050 0.000 1.213 695 A CA 1.359 53.397 52.037 0.001 0.000 0.840 695 A CB -0.300 18.697 19.000 -0.005 0.000 0.866 695 A HN 0.526 nan 8.150 nan 0.000 0.489 696 N N 0.239 118.916 118.700 -0.039 0.000 2.381 696 N HA -0.108 4.628 4.740 -0.007 0.000 0.182 696 N C 1.574 177.002 175.510 -0.137 0.000 1.025 696 N CA 1.304 54.339 53.050 -0.025 0.000 0.888 696 N CB -0.283 38.234 38.487 0.050 0.000 0.965 696 N HN 0.305 nan 8.380 nan 0.000 0.438 697 V N 1.461 121.318 119.914 -0.095 0.000 2.295 697 V HA -0.195 3.921 4.120 -0.007 0.000 0.246 697 V C 1.959 177.983 176.094 -0.116 0.000 1.049 697 V CA 1.622 63.853 62.300 -0.116 0.000 1.024 697 V CB -0.439 31.349 31.823 -0.058 0.000 0.648 697 V HN 0.330 nan 8.190 nan 0.000 0.447 698 E N -0.434 119.756 120.200 -0.016 0.000 2.152 698 E HA -0.128 4.218 4.350 -0.007 0.000 0.192 698 E C 2.190 178.874 176.600 0.140 0.000 0.983 698 E CA 1.035 57.487 56.400 0.088 0.000 0.818 698 E CB -0.201 29.633 29.700 0.223 0.000 0.758 698 E HN 0.534 nan 8.360 nan 0.000 0.467 699 M N 0.588 120.189 119.600 0.002 0.000 2.159 699 M HA -0.115 4.361 4.480 -0.007 0.000 0.263 699 M C 2.408 178.507 176.300 -0.335 0.000 1.063 699 M CA 1.394 56.675 55.300 -0.032 0.000 1.110 699 M CB -0.097 32.455 32.600 -0.080 0.000 1.374 699 M HN 0.121 nan 8.290 nan 0.000 0.411 700 A N 0.002 122.322 122.820 -0.832 0.000 2.014 700 A HA -0.119 4.197 4.320 -0.007 0.000 0.218 700 A C 1.886 179.247 177.584 -0.373 0.000 1.163 700 A CA 1.308 52.742 52.037 -1.004 0.000 0.652 700 A CB -0.489 17.912 19.000 -0.999 0.000 0.808 700 A HN 0.507 nan 8.150 nan 0.000 0.449 701 E N -0.171 119.906 120.200 -0.206 0.000 2.047 701 E HA -0.160 4.186 4.350 -0.007 0.000 0.191 701 E C 1.911 178.479 176.600 -0.054 0.000 0.987 701 E CA 1.083 57.421 56.400 -0.102 0.000 0.799 701 E CB -0.111 29.555 29.700 -0.056 0.000 0.752 701 E HN 0.502 nan 8.360 nan 0.000 0.449 702 E N 0.566 120.767 120.200 0.001 0.000 2.051 702 E HA -0.165 4.181 4.350 -0.007 0.000 0.192 702 E C 1.925 178.547 176.600 0.037 0.000 0.991 702 E CA 1.313 57.737 56.400 0.041 0.000 0.799 702 E CB -0.212 29.571 29.700 0.138 0.000 0.748 702 E HN 0.234 nan 8.360 nan 0.000 0.449 703 A N 0.242 123.090 122.820 0.046 0.000 2.178 703 A HA 0.368 4.684 4.320 -0.007 0.000 0.211 703 A C 1.005 178.600 177.584 0.018 0.000 1.157 703 A CA 1.012 53.088 52.037 0.064 0.000 0.780 703 A CB 0.027 19.122 19.000 0.158 0.000 0.828 703 A HN 0.269 nan 8.150 nan 0.000 0.476 704 G N -0.686 108.091 108.800 -0.038 0.000 2.895 704 G HA2 -0.129 3.827 3.960 -0.007 0.000 0.686 704 G HA3 -0.129 3.827 3.960 -0.007 0.000 0.686 704 G C 0.202 175.068 174.900 -0.056 0.000 1.108 704 G CA 0.084 45.156 45.100 -0.047 0.000 0.761 704 G HN 0.157 nan 8.290 nan 0.000 0.611 705 E N 0.762 120.918 120.200 -0.072 0.000 2.086 705 E HA -0.248 4.098 4.350 -0.007 0.000 0.200 705 E C 2.219 178.813 176.600 -0.011 0.000 1.012 705 E CA 2.213 58.580 56.400 -0.055 0.000 0.812 705 E CB 0.067 29.745 29.700 -0.037 0.000 0.743 705 E HN 0.726 nan 8.360 nan 0.000 0.453 706 E N 0.363 120.554 120.200 -0.016 0.000 2.401 706 E HA -0.086 4.260 4.350 -0.007 0.000 0.199 706 E C 0.756 177.311 176.600 -0.075 0.000 1.023 706 E CA 0.616 57.002 56.400 -0.022 0.000 0.859 706 E CB -0.110 29.584 29.700 -0.011 0.000 0.780 706 E HN 0.184 nan 8.360 nan 0.000 0.523 707 N N -0.259 118.403 118.700 -0.064 0.000 2.328 707 N HA 0.187 4.923 4.740 -0.007 0.000 0.247 707 N C -1.050 174.332 175.510 -0.213 0.000 1.165 707 N CA -0.004 52.957 53.050 -0.148 0.000 0.873 707 N CB 0.434 38.889 38.487 -0.055 0.000 1.125 707 N HN 0.036 nan 8.380 nan 0.000 0.513 708 F N -0.205 119.446 119.950 -0.497 0.000 2.613 708 F HA 0.434 4.956 4.527 -0.008 0.000 0.310 708 F C -1.234 174.230 175.800 -0.561 0.000 1.085 708 F CA -0.999 56.713 58.000 -0.480 0.000 0.945 708 F CB 1.424 40.292 39.000 -0.221 0.000 1.298 708 F HN -0.216 nan 8.300 nan 0.000 0.455 709 F N 4.927 124.913 119.950 0.061 0.000 2.311 709 F HA 0.493 5.017 4.527 -0.007 0.000 0.371 709 F C -0.245 175.688 175.800 0.221 0.000 1.083 709 F CA -0.761 57.298 58.000 0.097 0.000 1.113 709 F CB 0.503 39.508 39.000 0.008 0.000 1.349 709 F HN 0.058 nan 8.300 nan 0.000 0.470 710 I N 4.829 125.614 120.570 0.359 0.000 2.353 710 I HA 0.426 4.592 4.170 -0.007 0.000 0.293 710 I C -0.229 176.076 176.117 0.314 0.000 0.992 710 I CA -0.610 60.861 61.300 0.285 0.000 1.268 710 I CB 0.872 38.959 38.000 0.146 0.000 1.387 710 I HN 0.430 nan 8.210 nan 0.000 0.478 711 F N 3.501 123.519 119.950 0.114 0.000 2.894 711 F HA 0.961 5.484 4.527 -0.007 0.000 0.332 711 F C 0.185 176.031 175.800 0.076 0.000 1.192 711 F CA -0.835 57.222 58.000 0.095 0.000 0.980 711 F CB 0.487 39.553 39.000 0.110 0.000 1.448 711 F HN 0.708 nan 8.300 nan 0.000 0.514 712 G N 0.654 109.393 108.800 -0.102 0.000 2.781 712 G HA2 0.056 4.012 3.960 -0.007 0.000 0.683 712 G HA3 0.056 4.012 3.960 -0.007 0.000 0.683 712 G C -0.736 174.086 174.900 -0.130 0.000 1.390 712 G CA -0.519 44.417 45.100 -0.274 0.000 0.850 712 G HN 1.346 nan 8.290 nan 0.000 0.557 713 M N -0.554 118.995 119.600 -0.085 0.000 2.228 713 M HA 0.817 5.293 4.480 -0.007 0.000 0.326 713 M C 0.570 176.821 176.300 -0.082 0.000 1.122 713 M CA -0.218 55.056 55.300 -0.043 0.000 1.161 713 M CB 0.825 33.420 32.600 -0.008 0.000 1.437 713 M HN 0.553 nan 8.290 nan 0.000 0.465 714 R N 0.928 121.397 120.500 -0.051 0.000 2.730 714 R HA 0.501 4.837 4.340 -0.007 0.000 0.228 714 R C 1.234 177.509 176.300 -0.041 0.000 1.312 714 R CA -0.750 55.317 56.100 -0.056 0.000 1.093 714 R CB 0.047 30.323 30.300 -0.041 0.000 1.583 714 R HN 0.702 nan 8.270 nan 0.000 0.535 715 V N 1.003 120.895 119.914 -0.037 0.000 2.255 715 V HA -0.246 3.870 4.120 -0.007 0.000 0.247 715 V C 2.209 178.291 176.094 -0.020 0.000 1.051 715 V CA 2.231 64.514 62.300 -0.028 0.000 1.018 715 V CB -0.539 31.268 31.823 -0.027 0.000 0.641 715 V HN 0.756 nan 8.190 nan 0.000 0.445 716 E N 0.241 120.431 120.200 -0.016 0.000 2.114 716 E HA -0.336 4.010 4.350 -0.007 0.000 0.199 716 E C 1.806 178.407 176.600 0.001 0.000 1.008 716 E CA 2.093 58.489 56.400 -0.008 0.000 0.810 716 E CB -0.172 29.525 29.700 -0.005 0.000 0.739 716 E HN 0.666 nan 8.360 nan 0.000 0.456 717 D N -0.085 120.316 120.400 0.003 0.000 2.144 717 D HA -0.129 4.507 4.640 -0.007 0.000 0.199 717 D C 2.038 178.347 176.300 0.016 0.000 0.984 717 D CA 0.861 54.871 54.000 0.017 0.000 0.834 717 D CB -0.200 40.612 40.800 0.020 0.000 0.955 717 D HN 0.114 nan 8.370 nan 0.000 0.465 718 V N 1.205 121.116 119.914 -0.004 0.000 2.307 718 V HA -0.188 3.928 4.120 -0.007 0.000 0.245 718 V C 1.759 177.849 176.094 -0.006 0.000 1.045 718 V CA 1.652 63.942 62.300 -0.017 0.000 1.024 718 V CB -0.349 31.454 31.823 -0.033 0.000 0.651 718 V HN 0.076 nan 8.190 nan 0.000 0.449 719 D N -0.465 119.932 120.400 -0.005 0.000 2.218 719 D HA -0.114 4.522 4.640 -0.007 0.000 0.204 719 D C 2.388 178.696 176.300 0.014 0.000 0.976 719 D CA 0.891 54.891 54.000 -0.001 0.000 0.853 719 D CB -0.189 40.608 40.800 -0.006 0.000 0.939 719 D HN 0.312 nan 8.370 nan 0.000 0.481 720 R N -0.160 120.354 120.500 0.023 0.000 2.075 720 R HA -0.077 4.259 4.340 -0.007 0.000 0.232 720 R C 2.136 178.469 176.300 0.055 0.000 1.126 720 R CA 0.469 56.590 56.100 0.035 0.000 0.963 720 R CB -0.351 29.973 30.300 0.040 0.000 0.858 720 R HN 0.134 nan 8.270 nan 0.000 0.435 721 L N 1.501 122.765 121.223 0.067 0.000 2.056 721 L HA -0.155 4.181 4.340 -0.007 0.000 0.207 721 L C 1.497 178.431 176.870 0.106 0.000 1.078 721 L CA 1.891 56.798 54.840 0.112 0.000 0.749 721 L CB -0.515 41.621 42.059 0.128 0.000 0.901 721 L HN 0.101 nan 8.230 nan 0.000 0.433 722 D N -0.897 119.541 120.400 0.062 0.000 2.178 722 D HA -0.195 4.441 4.640 -0.007 0.000 0.201 722 D C 2.011 178.342 176.300 0.052 0.000 0.980 722 D CA 1.178 55.210 54.000 0.054 0.000 0.842 722 D CB 0.125 40.933 40.800 0.014 0.000 0.948 722 D HN 0.580 nan 8.370 nan 0.000 0.472 723 Q N 0.020 119.846 119.800 0.043 0.000 2.311 723 Q HA 0.008 4.344 4.340 -0.007 0.000 0.203 723 Q C 2.116 178.143 176.000 0.046 0.000 0.954 723 Q CA 0.410 56.235 55.803 0.036 0.000 0.885 723 Q CB 0.257 29.011 28.738 0.027 0.000 0.963 723 Q HN 0.194 nan 8.270 nan 0.000 0.471 724 R N 0.060 120.597 120.500 0.062 0.000 2.055 724 R HA 0.040 4.376 4.340 -0.007 0.000 0.228 724 R C 0.424 176.764 176.300 0.068 0.000 1.143 724 R CA 1.019 57.158 56.100 0.064 0.000 0.945 724 R CB 0.137 30.486 30.300 0.082 0.000 0.841 724 R HN 0.224 nan 8.270 nan 0.000 0.429 725 G N -0.218 108.640 108.800 0.097 0.000 3.162 725 G HA2 -0.145 3.811 3.960 -0.007 0.000 0.599 725 G HA3 -0.145 3.811 3.960 -0.007 0.000 0.599 725 G C -1.581 173.415 174.900 0.160 0.000 1.335 725 G CA -0.865 44.297 45.100 0.103 0.000 1.091 725 G HN 0.205 nan 8.290 nan 0.000 0.570 726 Y N 3.654 123.994 120.300 0.067 0.000 2.319 726 Y HA 0.682 5.229 4.550 -0.007 0.000 0.328 726 Y C 0.122 176.093 175.900 0.118 0.000 1.133 726 Y CA -1.075 57.087 58.100 0.105 0.000 1.265 726 Y CB 1.249 39.748 38.460 0.065 0.000 1.218 726 Y HN 0.622 nan 8.280 nan 0.000 0.508 727 N N 4.546 122.972 118.700 -0.457 0.000 2.533 727 N HA 0.332 5.068 4.740 -0.007 0.000 0.289 727 N C -0.534 174.723 175.510 -0.422 0.000 1.103 727 N CA 0.180 53.021 53.050 -0.348 0.000 0.877 727 N CB 1.894 40.314 38.487 -0.111 0.000 1.419 727 N HN 0.851 nan 8.380 nan 0.000 0.517 728 A N 2.889 125.446 122.820 -0.440 0.000 2.066 728 A HA -0.129 4.187 4.320 -0.007 0.000 0.218 728 A C 1.865 179.614 177.584 0.275 0.000 1.157 728 A CA 1.080 53.094 52.037 -0.039 0.000 0.670 728 A CB -0.194 18.745 19.000 -0.100 0.000 0.804 728 A HN 0.753 nan 8.150 nan 0.000 0.453 729 Q N 0.552 120.416 119.800 0.106 0.000 2.084 729 Q HA -0.220 4.116 4.340 -0.007 0.000 0.202 729 Q C 1.855 177.948 176.000 0.155 0.000 0.978 729 Q CA 2.241 58.132 55.803 0.147 0.000 0.844 729 Q CB -0.369 28.414 28.738 0.076 0.000 0.898 729 Q HN 0.754 nan 8.270 nan 0.000 0.426 730 E N -1.333 118.880 120.200 0.023 0.000 2.086 730 E HA -0.279 4.067 4.350 -0.007 0.000 0.200 730 E C 1.551 178.045 176.600 -0.176 0.000 1.012 730 E CA 1.722 58.040 56.400 -0.137 0.000 0.812 730 E CB -0.275 29.238 29.700 -0.313 0.000 0.743 730 E HN 0.560 nan 8.360 nan 0.000 0.453 731 Y N -0.919 119.459 120.300 0.130 0.000 2.133 731 Y HA -0.226 4.320 4.550 -0.007 0.000 0.287 731 Y C 2.305 178.224 175.900 0.033 0.000 1.134 731 Y CA 1.730 59.900 58.100 0.117 0.000 1.133 731 Y CB -1.074 37.527 38.460 0.235 0.000 0.987 731 Y HN 0.225 nan 8.280 nan 0.000 0.502 732 Y N 1.403 121.763 120.300 0.101 0.000 2.069 732 Y HA -0.343 4.203 4.550 -0.007 0.000 0.278 732 Y C 2.013 177.893 175.900 -0.034 0.000 1.175 732 Y CA 2.132 60.210 58.100 -0.036 0.000 1.134 732 Y CB -0.547 37.944 38.460 0.052 0.000 0.965 732 Y HN 0.126 nan 8.280 nan 0.000 0.498 733 D N -0.193 120.243 120.400 0.060 0.000 2.117 733 D HA -0.143 4.493 4.640 -0.007 0.000 0.198 733 D C 1.823 178.065 176.300 -0.097 0.000 0.982 733 D CA 1.840 55.812 54.000 -0.046 0.000 0.828 733 D CB -0.326 40.499 40.800 0.043 0.000 0.967 733 D HN 0.604 nan 8.370 nan 0.000 0.464 734 R N 0.209 120.666 120.500 -0.070 0.000 2.356 734 R HA 0.309 4.645 4.340 -0.007 0.000 0.234 734 R C 0.099 176.369 176.300 -0.049 0.000 0.929 734 R CA 0.026 56.088 56.100 -0.063 0.000 1.084 734 R CB 0.034 30.300 30.300 -0.056 0.000 1.105 734 R HN 0.096 nan 8.270 nan 0.000 0.515 735 I N 1.363 121.886 120.570 -0.079 0.000 2.448 735 I HA 0.267 4.433 4.170 -0.007 0.000 0.281 735 I C -2.037 173.998 176.117 -0.136 0.000 1.027 735 I CA -2.740 58.529 61.300 -0.052 0.000 1.111 735 I CB 2.668 40.675 38.000 0.010 0.000 1.236 735 I HN -0.211 nan 8.210 nan 0.000 0.452 736 P HA -0.136 nan 4.420 nan 0.000 0.217 736 P C 1.031 178.257 177.300 -0.123 0.000 1.150 736 P CA 1.304 64.325 63.100 -0.131 0.000 0.832 736 P CB 0.273 31.922 31.700 -0.086 0.000 0.787 737 E N -0.413 119.751 120.200 -0.060 0.000 2.072 737 E HA -0.142 4.204 4.350 -0.007 0.000 0.191 737 E C 2.089 178.617 176.600 -0.120 0.000 0.985 737 E CA 0.799 57.181 56.400 -0.029 0.000 0.801 737 E CB -0.863 28.897 29.700 0.100 0.000 0.750 737 E HN 0.246 nan 8.360 nan 0.000 0.452 738 L N 1.211 122.278 121.223 -0.259 0.000 2.056 738 L HA -0.161 4.175 4.340 -0.007 0.000 0.207 738 L C 2.788 179.458 176.870 -0.333 0.000 1.078 738 L CA 1.212 55.749 54.840 -0.505 0.000 0.749 738 L CB -0.079 41.515 42.059 -0.774 0.000 0.901 738 L HN -0.021 nan 8.230 nan 0.000 0.433 739 R N -0.331 119.965 120.500 -0.340 0.000 2.096 739 R HA -0.237 4.099 4.340 -0.007 0.000 0.235 739 R C 2.385 178.590 176.300 -0.158 0.000 1.127 739 R CA 1.863 57.732 56.100 -0.384 0.000 0.968 739 R CB -0.259 29.685 30.300 -0.594 0.000 0.861 739 R HN 0.686 nan 8.270 nan 0.000 0.440 740 Q N 0.108 119.829 119.800 -0.132 0.000 2.079 740 Q HA -0.160 4.176 4.340 -0.007 0.000 0.200 740 Q C 1.989 177.974 176.000 -0.026 0.000 0.974 740 Q CA 1.661 57.415 55.803 -0.081 0.000 0.840 740 Q CB -0.326 28.358 28.738 -0.090 0.000 0.898 740 Q HN 0.438 nan 8.270 nan 0.000 0.430 741 I N 0.774 121.334 120.570 -0.016 0.000 2.179 741 I HA -0.257 3.909 4.170 -0.007 0.000 0.242 741 I C 2.280 178.462 176.117 0.109 0.000 1.088 741 I CA 0.831 62.169 61.300 0.063 0.000 1.357 741 I CB -0.270 37.735 38.000 0.008 0.000 1.051 741 I HN 0.285 nan 8.210 nan 0.000 0.409 742 I N 0.397 121.019 120.570 0.086 0.000 2.315 742 I HA -0.205 3.961 4.170 -0.007 0.000 0.248 742 I C 2.585 178.805 176.117 0.173 0.000 1.117 742 I CA 1.445 62.844 61.300 0.164 0.000 1.404 742 I CB -1.198 36.963 38.000 0.268 0.000 1.071 742 I HN 0.275 nan 8.210 nan 0.000 0.419 743 E N 0.726 121.014 120.200 0.147 0.000 2.077 743 E HA -0.219 4.127 4.350 -0.007 0.000 0.193 743 E C 2.159 178.824 176.600 0.109 0.000 0.989 743 E CA 1.104 57.574 56.400 0.116 0.000 0.800 743 E CB -0.202 29.536 29.700 0.062 0.000 0.746 743 E HN 0.585 nan 8.360 nan 0.000 0.452 744 Q N 0.219 120.079 119.800 0.100 0.000 2.135 744 Q HA -0.105 4.231 4.340 -0.007 0.000 0.204 744 Q C 2.471 178.666 176.000 0.325 0.000 0.981 744 Q CA 0.993 56.871 55.803 0.125 0.000 0.856 744 Q CB -0.144 28.652 28.738 0.097 0.000 0.902 744 Q HN 0.251 nan 8.270 nan 0.000 0.425 745 L N -0.039 121.404 121.223 0.367 0.000 2.017 745 L HA -0.187 4.149 4.340 -0.007 0.000 0.208 745 L C 2.419 179.474 176.870 0.309 0.000 1.073 745 L CA 1.110 56.181 54.840 0.385 0.000 0.745 745 L CB -0.359 41.841 42.059 0.234 0.000 0.894 745 L HN 0.159 nan 8.230 nan 0.000 0.432 746 S N -0.680 115.149 115.700 0.215 0.000 2.383 746 S HA -0.130 4.336 4.470 -0.007 0.000 0.227 746 S C 2.046 176.738 174.600 0.154 0.000 1.026 746 S CA 1.396 59.697 58.200 0.168 0.000 0.981 746 S CB -0.091 63.184 63.200 0.124 0.000 0.818 746 S HN 0.359 nan 8.310 nan 0.000 0.472 747 S N 0.133 115.923 115.700 0.149 0.000 2.481 747 S HA 0.264 4.730 4.470 -0.007 0.000 0.231 747 S C 1.493 176.181 174.600 0.147 0.000 0.996 747 S CA 0.624 58.898 58.200 0.124 0.000 0.942 747 S CB -0.034 63.223 63.200 0.095 0.000 0.768 747 S HN 0.764 nan 8.310 nan 0.000 0.520 748 G N 0.770 109.692 108.800 0.204 0.000 2.140 748 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.211 748 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.211 748 G C 0.351 175.342 174.900 0.152 0.000 1.013 748 G CA 0.099 45.309 45.100 0.183 0.000 0.705 748 G HN 0.442 nan 8.290 nan 0.000 0.508 749 F N 0.425 120.350 119.950 -0.042 0.000 2.186 749 F HA 0.291 4.814 4.527 -0.007 0.000 0.299 749 F C 1.848 177.443 175.800 -0.342 0.000 1.090 749 F CA 1.368 59.208 58.000 -0.266 0.000 1.307 749 F CB -0.087 38.629 39.000 -0.473 0.000 1.019 749 F HN 0.164 nan 8.300 nan 0.000 0.489 750 F N -0.381 119.585 119.950 0.026 0.000 2.727 750 F HA 0.205 4.728 4.527 -0.007 0.000 0.302 750 F C 0.848 176.691 175.800 0.071 0.000 1.097 750 F CA 0.212 58.168 58.000 -0.074 0.000 1.330 750 F CB -0.316 38.661 39.000 -0.039 0.000 1.084 750 F HN -0.095 nan 8.300 nan 0.000 0.578 751 S N -1.071 114.772 115.700 0.238 0.000 2.128 751 S HA 0.308 4.774 4.470 -0.007 0.000 0.157 751 S C -2.344 172.291 174.600 0.058 0.000 1.650 751 S CA -1.105 57.188 58.200 0.154 0.000 1.269 751 S CB 0.728 64.009 63.200 0.135 0.000 1.227 751 S HN -0.132 nan 8.310 nan 0.000 0.405 752 P HA -0.151 nan 4.420 nan 0.000 0.218 752 P C 1.353 178.659 177.300 0.011 0.000 1.148 752 P CA 1.201 64.299 63.100 -0.002 0.000 0.822 752 P CB 0.089 31.768 31.700 -0.034 0.000 0.784 753 K N -1.235 119.171 120.400 0.010 0.000 2.367 753 K HA 0.127 4.443 4.320 -0.007 0.000 0.194 753 K C 0.336 176.941 176.600 0.009 0.000 1.027 753 K CA 0.494 56.787 56.287 0.009 0.000 1.075 753 K CB 0.153 32.657 32.500 0.007 0.000 0.845 753 K HN 0.214 nan 8.250 nan 0.000 0.529 754 Q N 1.393 121.197 119.800 0.007 0.000 3.484 754 Q HA 0.192 4.528 4.340 -0.007 0.000 0.255 754 Q C -2.202 173.796 176.000 -0.004 0.000 0.909 754 Q CA -1.435 54.366 55.803 -0.004 0.000 0.774 754 Q CB 1.912 30.637 28.738 -0.022 0.000 1.431 754 Q HN -0.064 nan 8.270 nan 0.000 0.423 755 P HA -0.262 nan 4.420 nan 0.000 0.216 755 P C 0.710 178.041 177.300 0.051 0.000 1.150 755 P CA 1.482 64.616 63.100 0.056 0.000 0.843 755 P CB 0.481 32.218 31.700 0.060 0.000 0.787 756 D N -0.638 119.777 120.400 0.025 0.000 2.158 756 D HA -0.197 4.439 4.640 -0.007 0.000 0.197 756 D C 2.016 178.315 176.300 -0.001 0.000 0.995 756 D CA 0.657 54.670 54.000 0.023 0.000 0.846 756 D CB -0.645 40.163 40.800 0.013 0.000 0.941 756 D HN -0.103 nan 8.370 nan 0.000 0.456 757 L N -0.366 120.807 121.223 -0.084 0.000 1.991 757 L HA -0.202 4.134 4.340 -0.007 0.000 0.221 757 L C 1.461 178.170 176.870 -0.268 0.000 1.079 757 L CA 1.801 56.492 54.840 -0.247 0.000 0.778 757 L CB -0.774 40.987 42.059 -0.495 0.000 0.893 757 L HN 0.122 nan 8.230 nan 0.000 0.437 758 F N -0.432 119.574 119.950 0.093 0.000 2.731 758 F HA 0.125 4.648 4.527 -0.006 0.000 0.304 758 F C 1.935 177.777 175.800 0.071 0.000 1.133 758 F CA 0.023 58.066 58.000 0.072 0.000 1.380 758 F CB -0.697 38.339 39.000 0.060 0.000 1.079 758 F HN 0.056 nan 8.300 nan 0.000 0.550 759 K N -0.037 120.473 120.400 0.183 0.000 2.283 759 K HA -0.180 4.136 4.320 -0.007 0.000 0.202 759 K C 1.381 178.057 176.600 0.127 0.000 1.048 759 K CA 1.231 57.601 56.287 0.137 0.000 0.948 759 K CB -0.121 32.439 32.500 0.101 0.000 0.742 759 K HN 0.210 nan 8.250 nan 0.000 0.458 760 D N 1.098 121.591 120.400 0.154 0.000 2.097 760 D HA -0.088 4.548 4.640 -0.007 0.000 0.197 760 D C 1.684 178.067 176.300 0.138 0.000 0.984 760 D CA 0.981 55.083 54.000 0.169 0.000 0.826 760 D CB 0.096 41.038 40.800 0.237 0.000 0.973 760 D HN 0.087 nan 8.370 nan 0.000 0.460 761 I N -0.452 120.204 120.570 0.144 0.000 2.353 761 I HA -0.173 3.993 4.170 -0.007 0.000 0.248 761 I C 2.233 178.366 176.117 0.027 0.000 1.119 761 I CA 0.351 61.701 61.300 0.083 0.000 1.417 761 I CB -0.064 37.990 38.000 0.090 0.000 1.078 761 I HN -0.054 nan 8.210 nan 0.000 0.421 762 V N 1.026 120.973 119.914 0.056 0.000 2.490 762 V HA -0.261 3.855 4.120 -0.007 0.000 0.250 762 V C 2.225 178.251 176.094 -0.113 0.000 1.061 762 V CA 1.753 64.058 62.300 0.007 0.000 1.064 762 V CB -0.814 31.040 31.823 0.050 0.000 0.670 762 V HN 0.486 nan 8.190 nan 0.000 0.461 763 N N 0.364 119.015 118.700 -0.083 0.000 2.142 763 N HA -0.178 4.558 4.740 -0.007 0.000 0.186 763 N C 1.941 177.241 175.510 -0.350 0.000 1.023 763 N CA 2.063 55.021 53.050 -0.153 0.000 0.852 763 N CB -0.061 38.456 38.487 0.050 0.000 0.998 763 N HN 0.631 nan 8.380 nan 0.000 0.424 764 M N -0.299 119.109 119.600 -0.320 0.000 2.156 764 M HA 0.006 4.482 4.480 -0.007 0.000 0.264 764 M C 1.723 177.756 176.300 -0.445 0.000 1.067 764 M CA 1.346 56.283 55.300 -0.604 0.000 1.131 764 M CB -0.888 31.612 32.600 -0.166 0.000 1.368 764 M HN -0.144 nan 8.290 nan 0.000 0.416 765 L N 0.416 121.446 121.223 -0.322 0.000 2.013 765 L HA -0.120 4.216 4.340 -0.007 0.000 0.212 765 L C 2.610 179.149 176.870 -0.552 0.000 1.073 765 L CA 1.910 56.478 54.840 -0.453 0.000 0.753 765 L CB -1.153 40.692 42.059 -0.357 0.000 0.890 765 L HN 0.458 nan 8.230 nan 0.000 0.432 766 M N -1.733 117.597 119.600 -0.450 0.000 2.175 766 M HA -0.142 4.334 4.480 -0.007 0.000 0.264 766 M C 1.955 178.011 176.300 -0.406 0.000 1.063 766 M CA 1.626 56.642 55.300 -0.473 0.000 1.119 766 M CB -0.829 31.320 32.600 -0.751 0.000 1.377 766 M HN 0.351 nan 8.290 nan 0.000 0.415 767 H N -2.145 116.800 119.070 -0.208 0.000 3.091 767 H HA 0.191 4.743 4.556 -0.007 0.000 0.249 767 H C -0.030 175.276 175.328 -0.036 0.000 0.985 767 H CA 0.561 56.545 56.048 -0.107 0.000 1.177 767 H CB 0.173 29.932 29.762 -0.005 0.000 1.456 767 H HN 0.535 nan 8.280 nan 0.000 0.467 768 H N -1.394 117.732 119.070 0.093 0.000 2.696 768 H HA 0.361 4.913 4.556 -0.007 0.000 0.221 768 H C -1.589 173.758 175.328 0.032 0.000 1.399 768 H CA -0.860 55.230 56.048 0.070 0.000 1.408 768 H CB -0.175 29.630 29.762 0.072 0.000 1.853 768 H HN -0.071 nan 8.280 nan 0.000 0.546 769 D N 1.054 121.476 120.400 0.036 0.000 2.427 769 D HA 0.242 4.878 4.640 -0.007 0.000 0.226 769 D C 0.836 177.081 176.300 -0.093 0.000 1.076 769 D CA -0.713 53.278 54.000 -0.016 0.000 0.849 769 D CB 1.029 41.785 40.800 -0.074 0.000 1.052 769 D HN 0.439 nan 8.370 nan 0.000 0.515 770 R N 2.445 122.784 120.500 -0.269 0.000 2.148 770 R HA -0.040 4.296 4.340 -0.007 0.000 0.227 770 R C 0.556 176.405 176.300 -0.751 0.000 1.103 770 R CA 0.905 56.636 56.100 -0.615 0.000 0.983 770 R CB -0.003 29.658 30.300 -1.066 0.000 0.874 770 R HN 0.474 nan 8.270 nan 0.000 0.451 771 F N 0.759 120.674 119.950 -0.058 0.000 2.641 771 F HA 0.227 4.750 4.527 -0.007 0.000 0.302 771 F C 0.197 175.888 175.800 -0.182 0.000 1.098 771 F CA -0.414 57.536 58.000 -0.083 0.000 1.318 771 F CB 0.012 39.013 39.000 0.001 0.000 1.035 771 F HN -0.226 nan 8.300 nan 0.000 0.551 772 K N -0.346 119.899 120.400 -0.258 0.000 3.451 772 K HA -0.187 4.129 4.320 -0.007 0.000 0.273 772 K C 1.065 177.542 176.600 -0.206 0.000 0.944 772 K CA 0.094 56.064 56.287 -0.528 0.000 0.734 772 K CB -1.712 30.354 32.500 -0.723 0.000 1.437 772 K HN 0.217 nan 8.250 nan 0.000 0.454 773 V N 0.223 120.088 119.914 -0.082 0.000 2.233 773 V HA -0.275 3.841 4.120 -0.007 0.000 0.247 773 V C 1.977 178.174 176.094 0.172 0.000 1.050 773 V CA 2.200 64.523 62.300 0.039 0.000 1.010 773 V CB -0.423 31.423 31.823 0.038 0.000 0.637 773 V HN 0.441 nan 8.190 nan 0.000 0.444 774 F N 0.635 120.572 119.950 -0.021 0.000 2.408 774 F HA -0.060 4.463 4.527 -0.007 0.000 0.300 774 F C 2.291 177.887 175.800 -0.339 0.000 1.090 774 F CA 0.695 58.640 58.000 -0.093 0.000 1.427 774 F CB -1.503 37.446 39.000 -0.085 0.000 1.070 774 F HN 0.182 nan 8.300 nan 0.000 0.549 775 A N -0.941 121.738 122.820 -0.234 0.000 2.119 775 A HA -0.057 4.259 4.320 -0.007 0.000 0.216 775 A C 1.685 179.293 177.584 0.040 0.000 1.152 775 A CA 1.173 53.011 52.037 -0.331 0.000 0.708 775 A CB -0.350 18.555 19.000 -0.158 0.000 0.805 775 A HN 0.129 nan 8.150 nan 0.000 0.460 776 D N -2.553 117.917 120.400 0.116 0.000 2.379 776 D HA 0.070 4.706 4.640 -0.007 0.000 0.208 776 D C 1.213 177.704 176.300 0.319 0.000 1.065 776 D CA 0.027 54.167 54.000 0.233 0.000 0.848 776 D CB -0.105 40.836 40.800 0.234 0.000 0.949 776 D HN 0.510 nan 8.370 nan 0.000 0.509 777 Y N 2.162 122.565 120.300 0.171 0.000 2.081 777 Y HA -0.230 4.316 4.550 -0.006 0.000 0.280 777 Y C 2.027 178.040 175.900 0.187 0.000 1.163 777 Y CA 1.902 60.118 58.100 0.192 0.000 1.135 777 Y CB 0.099 38.640 38.460 0.135 0.000 0.970 777 Y HN -0.102 nan 8.280 nan 0.000 0.498 778 E N 0.028 120.318 120.200 0.150 0.000 2.085 778 E HA -0.255 4.091 4.350 -0.007 0.000 0.194 778 E C 2.147 178.731 176.600 -0.026 0.000 0.994 778 E CA 1.745 58.148 56.400 0.005 0.000 0.801 778 E CB -0.186 29.610 29.700 0.160 0.000 0.743 778 E HN 0.680 nan 8.360 nan 0.000 0.453 779 E N -0.304 119.963 120.200 0.112 0.000 2.106 779 E HA -0.184 4.162 4.350 -0.007 0.000 0.192 779 E C 1.907 178.522 176.600 0.025 0.000 0.984 779 E CA 0.579 57.065 56.400 0.143 0.000 0.806 779 E CB -0.134 29.758 29.700 0.319 0.000 0.750 779 E HN 0.226 nan 8.360 nan 0.000 0.458 780 Y N 1.266 121.427 120.300 -0.232 0.000 2.070 780 Y HA -0.271 4.275 4.550 -0.007 0.000 0.280 780 Y C 2.136 177.698 175.900 -0.563 0.000 1.148 780 Y CA 1.209 58.894 58.100 -0.691 0.000 1.125 780 Y CB -0.637 37.494 38.460 -0.548 0.000 0.975 780 Y HN -0.187 nan 8.280 nan 0.000 0.492 781 V N 0.755 120.336 119.914 -0.555 0.000 2.295 781 V HA -0.334 3.782 4.120 -0.007 0.000 0.246 781 V C 2.288 178.152 176.094 -0.383 0.000 1.049 781 V CA 2.449 64.428 62.300 -0.535 0.000 1.024 781 V CB -0.631 30.895 31.823 -0.496 0.000 0.648 781 V HN 0.350 nan 8.190 nan 0.000 0.447 782 K N -0.836 119.407 120.400 -0.262 0.000 2.097 782 K HA -0.206 4.110 4.320 -0.007 0.000 0.206 782 K C 2.277 178.764 176.600 -0.188 0.000 1.049 782 K CA 1.662 57.848 56.287 -0.167 0.000 0.933 782 K CB -0.613 31.839 32.500 -0.081 0.000 0.717 782 K HN 0.536 nan 8.250 nan 0.000 0.442 783 C N 1.557 120.722 119.300 -0.224 0.000 2.440 783 C HA -0.070 4.386 4.460 -0.007 0.000 0.278 783 C C 2.538 177.303 174.990 -0.375 0.000 1.295 783 C CA 0.741 59.636 59.018 -0.205 0.000 1.738 783 C CB -0.624 27.029 27.740 -0.145 0.000 1.987 783 C HN 0.415 nan 8.230 nan 0.000 0.492 784 Q N 0.235 119.703 119.800 -0.554 0.000 2.224 784 Q HA -0.131 4.205 4.340 -0.007 0.000 0.203 784 Q C 1.970 177.742 176.000 -0.380 0.000 0.970 784 Q CA 1.289 56.724 55.803 -0.613 0.000 0.865 784 Q CB -0.252 27.878 28.738 -1.014 0.000 0.922 784 Q HN 0.767 nan 8.270 nan 0.000 0.445 785 E N 0.365 120.401 120.200 -0.273 0.000 2.152 785 E HA -0.113 4.233 4.350 -0.007 0.000 0.192 785 E C 1.968 178.468 176.600 -0.165 0.000 0.983 785 E CA 0.382 56.677 56.400 -0.176 0.000 0.818 785 E CB 0.025 29.650 29.700 -0.126 0.000 0.758 785 E HN 0.210 nan 8.360 nan 0.000 0.467 786 R N 0.377 120.765 120.500 -0.187 0.000 2.115 786 R HA -0.083 4.253 4.340 -0.007 0.000 0.230 786 R C 2.294 178.436 176.300 -0.263 0.000 1.111 786 R CA 0.752 56.762 56.100 -0.149 0.000 0.976 786 R CB -0.033 30.212 30.300 -0.091 0.000 0.870 786 R HN 0.041 nan 8.270 nan 0.000 0.445 787 V N -0.092 119.545 119.914 -0.462 0.000 2.379 787 V HA -0.182 3.934 4.120 -0.007 0.000 0.245 787 V C 1.954 177.957 176.094 -0.151 0.000 1.044 787 V CA 1.841 63.850 62.300 -0.486 0.000 1.036 787 V CB -0.186 31.297 31.823 -0.567 0.000 0.664 787 V HN 0.260 nan 8.190 nan 0.000 0.453 788 S N 0.374 115.974 115.700 -0.167 0.000 2.423 788 S HA -0.066 4.400 4.470 -0.007 0.000 0.231 788 S C 2.203 176.782 174.600 -0.034 0.000 1.014 788 S CA 1.131 59.264 58.200 -0.111 0.000 0.965 788 S CB -0.356 62.761 63.200 -0.138 0.000 0.785 788 S HN 0.630 nan 8.310 nan 0.000 0.495 789 A N 1.782 124.589 122.820 -0.022 0.000 1.858 789 A HA -0.017 4.299 4.320 -0.007 0.000 0.216 789 A C 2.023 179.653 177.584 0.076 0.000 1.190 789 A CA 1.100 53.152 52.037 0.026 0.000 0.617 789 A CB -0.661 18.358 19.000 0.031 0.000 0.827 789 A HN 0.410 nan 8.150 nan 0.000 0.443 790 L N -1.820 119.492 121.223 0.149 0.000 2.217 790 L HA -0.064 4.272 4.340 -0.007 0.000 0.211 790 L C 2.194 179.143 176.870 0.132 0.000 1.107 790 L CA 1.640 56.655 54.840 0.292 0.000 0.783 790 L CB -1.241 41.181 42.059 0.606 0.000 0.919 790 L HN 0.606 nan 8.230 nan 0.000 0.442 791 Y N 0.927 121.046 120.300 -0.302 0.000 2.421 791 Y HA -0.173 4.373 4.550 -0.006 0.000 0.292 791 Y C 2.268 177.982 175.900 -0.311 0.000 1.136 791 Y CA 1.277 58.952 58.100 -0.709 0.000 1.255 791 Y CB -0.023 37.975 38.460 -0.769 0.000 0.991 791 Y HN 0.156 nan 8.280 nan 0.000 0.552 792 K N -0.172 120.175 120.400 -0.089 0.000 2.439 792 K HA -0.104 4.212 4.320 -0.007 0.000 0.197 792 K C 0.349 176.895 176.600 -0.090 0.000 1.041 792 K CA 0.687 56.934 56.287 -0.067 0.000 0.970 792 K CB -0.126 32.400 32.500 0.043 0.000 0.773 792 K HN 0.074 nan 8.250 nan 0.000 0.479 793 N N 0.998 119.660 118.700 -0.063 0.000 2.816 793 N HA 0.138 4.874 4.740 -0.007 0.000 0.236 793 N C -2.399 173.092 175.510 -0.031 0.000 1.076 793 N CA -2.447 50.590 53.050 -0.021 0.000 0.902 793 N CB 1.366 39.881 38.487 0.047 0.000 1.149 793 N HN -0.244 nan 8.380 nan 0.000 0.506 794 P HA -0.206 nan 4.420 nan 0.000 0.218 794 P C 1.232 178.546 177.300 0.023 0.000 1.154 794 P CA 1.385 64.420 63.100 -0.107 0.000 0.872 794 P CB 0.358 31.979 31.700 -0.131 0.000 0.790 795 R N -0.683 119.836 120.500 0.032 0.000 2.090 795 R HA -0.079 4.257 4.340 -0.007 0.000 0.228 795 R C 1.868 178.225 176.300 0.095 0.000 1.110 795 R CA 1.012 57.145 56.100 0.055 0.000 0.973 795 R CB -0.158 30.165 30.300 0.039 0.000 0.869 795 R HN 0.144 nan 8.270 nan 0.000 0.440 796 E N -1.045 119.227 120.200 0.120 0.000 2.385 796 E HA -0.139 4.207 4.350 -0.007 0.000 0.194 796 E C 1.344 178.072 176.600 0.212 0.000 1.013 796 E CA 0.347 56.830 56.400 0.137 0.000 0.866 796 E CB -0.045 29.730 29.700 0.126 0.000 0.832 796 E HN 0.341 nan 8.360 nan 0.000 0.500 797 W N 2.150 123.477 121.300 0.044 0.000 2.379 797 W HA -0.133 4.522 4.660 -0.008 0.000 0.307 797 W C 2.211 178.762 176.519 0.053 0.000 1.200 797 W CA 2.134 59.527 57.345 0.079 0.000 1.297 797 W CB -0.520 29.001 29.460 0.101 0.000 1.140 797 W HN -0.027 nan 8.180 nan 0.000 0.507 798 T N -0.209 114.502 114.554 0.262 0.000 2.881 798 T HA -0.185 4.161 4.350 -0.007 0.000 0.270 798 T C 1.745 176.486 174.700 0.068 0.000 1.068 798 T CA 1.414 63.594 62.100 0.132 0.000 1.131 798 T CB -0.246 68.682 68.868 0.100 0.000 0.871 798 T HN 0.090 nan 8.240 nan 0.000 0.479 799 R N 0.200 120.745 120.500 0.074 0.000 2.115 799 R HA 0.148 4.484 4.340 -0.007 0.000 0.230 799 R C 2.417 178.726 176.300 0.015 0.000 1.111 799 R CA 1.019 57.153 56.100 0.058 0.000 0.976 799 R CB -0.285 30.052 30.300 0.063 0.000 0.870 799 R HN 0.341 nan 8.270 nan 0.000 0.445 800 M N -0.053 119.527 119.600 -0.033 0.000 2.132 800 M HA -0.132 4.344 4.480 -0.007 0.000 0.263 800 M C 1.798 178.015 176.300 -0.139 0.000 1.065 800 M CA 1.359 56.589 55.300 -0.118 0.000 1.122 800 M CB 0.163 32.624 32.600 -0.232 0.000 1.365 800 M HN -0.038 nan 8.290 nan 0.000 0.411 801 V N 0.641 120.470 119.914 -0.141 0.000 2.287 801 V HA -0.312 3.804 4.120 -0.007 0.000 0.248 801 V C 2.252 178.327 176.094 -0.032 0.000 1.053 801 V CA 2.116 64.349 62.300 -0.112 0.000 1.027 801 V CB -0.601 31.190 31.823 -0.053 0.000 0.646 801 V HN 0.530 nan 8.190 nan 0.000 0.447 802 I N -0.688 119.892 120.570 0.017 0.000 2.286 802 I HA -0.227 3.939 4.170 -0.007 0.000 0.248 802 I C 2.631 178.792 176.117 0.074 0.000 1.115 802 I CA 1.437 62.787 61.300 0.083 0.000 1.392 802 I CB -0.392 37.709 38.000 0.168 0.000 1.065 802 I HN 0.224 nan 8.210 nan 0.000 0.418 803 R N 0.348 120.870 120.500 0.038 0.000 2.189 803 R HA -0.059 4.277 4.340 -0.007 0.000 0.218 803 R C 1.904 178.226 176.300 0.037 0.000 1.074 803 R CA 0.734 56.854 56.100 0.035 0.000 0.991 803 R CB -0.274 30.034 30.300 0.014 0.000 0.883 803 R HN 0.515 nan 8.270 nan 0.000 0.457 804 N N 0.653 119.361 118.700 0.013 0.000 2.220 804 N HA -0.030 4.706 4.740 -0.007 0.000 0.182 804 N C 1.908 177.456 175.510 0.064 0.000 1.023 804 N CA 0.906 53.974 53.050 0.031 0.000 0.856 804 N CB 0.087 38.547 38.487 -0.046 0.000 0.997 804 N HN 0.099 nan 8.380 nan 0.000 0.429 805 I N 1.623 122.223 120.570 0.049 0.000 2.163 805 I HA -0.235 3.931 4.170 -0.007 0.000 0.243 805 I C 2.452 178.616 176.117 0.077 0.000 1.085 805 I CA 0.955 62.294 61.300 0.065 0.000 1.347 805 I CB -0.357 37.676 38.000 0.055 0.000 1.044 805 I HN 0.077 nan 8.210 nan 0.000 0.408 806 A N -0.480 122.386 122.820 0.077 0.000 2.070 806 A HA -0.169 4.147 4.320 -0.007 0.000 0.220 806 A C 2.260 179.883 177.584 0.064 0.000 1.159 806 A CA 2.084 54.160 52.037 0.066 0.000 0.656 806 A CB -0.730 18.310 19.000 0.068 0.000 0.800 806 A HN 0.380 nan 8.150 nan 0.000 0.453 807 T N -0.108 114.497 114.554 0.085 0.000 3.086 807 T HA 0.059 4.405 4.350 -0.007 0.000 0.250 807 T C 1.506 176.299 174.700 0.156 0.000 1.074 807 T CA 0.800 62.959 62.100 0.098 0.000 0.988 807 T CB -0.226 68.702 68.868 0.100 0.000 0.988 807 T HN 0.641 nan 8.240 nan 0.000 0.530 808 S N 0.166 115.983 115.700 0.195 0.000 2.650 808 S HA 0.141 4.607 4.470 -0.007 0.000 0.219 808 S C 2.248 176.970 174.600 0.203 0.000 0.960 808 S CA 0.189 58.594 58.200 0.341 0.000 0.925 808 S CB -0.295 63.082 63.200 0.294 0.000 0.775 808 S HN 0.460 nan 8.310 nan 0.000 0.525 809 G N 3.017 111.857 108.800 0.066 0.000 2.505 809 G HA2 -0.317 3.639 3.960 -0.007 0.000 0.220 809 G HA3 -0.317 3.639 3.960 -0.007 0.000 0.220 809 G C 1.278 176.115 174.900 -0.103 0.000 1.145 809 G CA 1.068 46.174 45.100 0.010 0.000 0.761 809 G HN 0.585 nan 8.290 nan 0.000 0.571 810 K N -0.291 119.914 120.400 -0.324 0.000 2.360 810 K HA -0.023 4.293 4.320 -0.007 0.000 0.201 810 K C 0.880 177.103 176.600 -0.628 0.000 1.046 810 K CA 0.526 56.489 56.287 -0.540 0.000 0.945 810 K CB -0.211 31.817 32.500 -0.786 0.000 0.750 810 K HN 0.352 nan 8.250 nan 0.000 0.464 811 F N 0.778 120.757 119.950 0.049 0.000 2.660 811 F HA 0.186 4.708 4.527 -0.007 0.000 0.297 811 F C 0.725 176.563 175.800 0.064 0.000 1.132 811 F CA -0.380 57.653 58.000 0.054 0.000 1.372 811 F CB 0.133 39.162 39.000 0.048 0.000 1.003 811 F HN -0.145 nan 8.300 nan 0.000 0.524 812 S N -0.139 115.629 115.700 0.113 0.000 2.565 812 S HA 0.169 4.635 4.470 -0.007 0.000 0.274 812 S C 1.397 176.068 174.600 0.118 0.000 1.309 812 S CA -0.188 58.082 58.200 0.116 0.000 1.043 812 S CB 0.872 64.112 63.200 0.067 0.000 0.939 812 S HN 0.306 nan 8.310 nan 0.000 0.504 813 S N 3.054 118.840 115.700 0.144 0.000 2.515 813 S HA -0.047 4.419 4.470 -0.007 0.000 0.231 813 S C 0.951 175.586 174.600 0.059 0.000 0.987 813 S CA 0.454 58.749 58.200 0.158 0.000 0.936 813 S CB -0.326 63.026 63.200 0.252 0.000 0.766 813 S HN 0.777 nan 8.310 nan 0.000 0.528 814 D N 2.145 122.571 120.400 0.043 0.000 2.144 814 D HA -0.108 4.528 4.640 -0.007 0.000 0.199 814 D C 2.025 178.325 176.300 0.000 0.000 0.984 814 D CA 0.944 54.952 54.000 0.012 0.000 0.834 814 D CB -0.309 40.497 40.800 0.010 0.000 0.955 814 D HN 0.461 nan 8.370 nan 0.000 0.465 815 R N 0.636 121.139 120.500 0.005 0.000 2.070 815 R HA -0.116 4.220 4.340 -0.007 0.000 0.233 815 R C 1.935 178.232 176.300 -0.005 0.000 1.137 815 R CA 1.758 57.852 56.100 -0.010 0.000 0.945 815 R CB -0.460 29.823 30.300 -0.028 0.000 0.845 815 R HN 0.061 nan 8.270 nan 0.000 0.430 816 T N 1.625 116.194 114.554 0.025 0.000 2.665 816 T HA -0.175 4.171 4.350 -0.007 0.000 0.268 816 T C 1.800 176.507 174.700 0.011 0.000 1.035 816 T CA 1.556 63.694 62.100 0.064 0.000 1.151 816 T CB -0.193 68.760 68.868 0.142 0.000 0.862 816 T HN 0.125 nan 8.240 nan 0.000 0.438 817 I N 1.423 121.911 120.570 -0.137 0.000 2.439 817 I HA 0.071 4.237 4.170 -0.007 0.000 0.251 817 I C 2.632 178.721 176.117 -0.047 0.000 1.139 817 I CA 0.035 61.222 61.300 -0.188 0.000 1.438 817 I CB -1.124 36.756 38.000 -0.200 0.000 1.085 817 I HN 0.197 nan 8.210 nan 0.000 0.427 818 A N -0.593 122.212 122.820 -0.025 0.000 1.972 818 A HA -0.230 4.086 4.320 -0.007 0.000 0.219 818 A C 2.212 179.774 177.584 -0.037 0.000 1.169 818 A CA 1.449 53.480 52.037 -0.010 0.000 0.635 818 A CB -0.476 18.519 19.000 -0.009 0.000 0.810 818 A HN 0.526 nan 8.150 nan 0.000 0.446 819 Q N -2.029 117.737 119.800 -0.058 0.000 2.137 819 Q HA -0.110 4.226 4.340 -0.007 0.000 0.198 819 Q C 1.847 177.714 176.000 -0.222 0.000 0.960 819 Q CA 1.282 57.016 55.803 -0.115 0.000 0.847 819 Q CB -0.244 28.421 28.738 -0.121 0.000 0.915 819 Q HN 0.795 nan 8.270 nan 0.000 0.448 820 Y N 0.838 120.870 120.300 -0.447 0.000 2.165 820 Y HA -0.277 4.269 4.550 -0.007 0.000 0.286 820 Y C 2.432 177.817 175.900 -0.859 0.000 1.155 820 Y CA 1.286 58.879 58.100 -0.845 0.000 1.164 820 Y CB -0.539 37.094 38.460 -1.378 0.000 0.978 820 Y HN 0.149 nan 8.280 nan 0.000 0.513 821 A N 0.062 122.716 122.820 -0.277 0.000 1.851 821 A HA -0.274 4.042 4.320 -0.007 0.000 0.216 821 A C 2.302 179.906 177.584 0.034 0.000 1.195 821 A CA 2.309 54.399 52.037 0.089 0.000 0.622 821 A CB -0.773 18.320 19.000 0.155 0.000 0.831 821 A HN 0.440 nan 8.150 nan 0.000 0.444 822 R N -0.319 120.164 120.500 -0.028 0.000 2.055 822 R HA -0.066 4.270 4.340 -0.007 0.000 0.226 822 R C 1.746 178.023 176.300 -0.039 0.000 1.135 822 R CA 1.534 57.626 56.100 -0.013 0.000 0.959 822 R CB -0.196 30.091 30.300 -0.021 0.000 0.854 822 R HN 0.647 nan 8.270 nan 0.000 0.431 823 E N -0.712 119.426 120.200 -0.103 0.000 2.502 823 E HA 0.021 4.367 4.350 -0.007 0.000 0.194 823 E C 1.097 177.634 176.600 -0.106 0.000 1.062 823 E CA 0.469 56.811 56.400 -0.097 0.000 0.867 823 E CB 0.491 30.114 29.700 -0.128 0.000 0.888 823 E HN 0.449 nan 8.360 nan 0.000 0.510 824 I N -1.858 118.624 120.570 -0.147 0.000 4.547 824 I HA 0.029 4.195 4.170 -0.007 0.000 0.303 824 I C 1.020 177.237 176.117 0.165 0.000 1.188 824 I CA -0.121 61.131 61.300 -0.079 0.000 1.320 824 I CB 0.355 38.135 38.000 -0.368 0.000 1.495 824 I HN 0.111 nan 8.210 nan 0.000 0.462 825 W N 1.665 123.040 121.300 0.125 0.000 2.812 825 W HA 0.388 5.044 4.660 -0.007 0.000 0.263 825 W C 1.496 178.053 176.519 0.063 0.000 1.284 825 W CA 0.782 58.195 57.345 0.113 0.000 1.430 825 W CB -0.750 28.770 29.460 0.099 0.000 1.088 825 W HN 0.276 nan 8.180 nan 0.000 0.623 826 G N 1.268 110.201 108.800 0.221 0.000 2.256 826 G HA2 -0.149 3.807 3.960 -0.007 0.000 0.272 826 G HA3 -0.149 3.807 3.960 -0.007 0.000 0.272 826 G C -0.561 174.413 174.900 0.123 0.000 1.076 826 G CA 0.175 45.352 45.100 0.129 0.000 0.882 826 G HN 0.024 nan 8.290 nan 0.000 0.497 827 V N -0.537 119.465 119.914 0.147 0.000 2.914 827 V HA 0.695 4.811 4.120 -0.007 0.000 0.314 827 V C -0.193 175.953 176.094 0.087 0.000 1.084 827 V CA -1.244 61.121 62.300 0.108 0.000 0.963 827 V CB 2.163 34.063 31.823 0.129 0.000 1.025 827 V HN 0.289 nan 8.190 nan 0.000 0.432 828 E N 3.440 123.674 120.200 0.057 0.000 2.166 828 E HA 0.425 4.771 4.350 -0.007 0.000 0.275 828 E C -2.470 174.158 176.600 0.047 0.000 0.941 828 E CA -1.740 54.688 56.400 0.046 0.000 0.784 828 E CB 1.970 31.689 29.700 0.032 0.000 1.115 828 E HN 0.473 nan 8.360 nan 0.000 0.399 829 P HA -0.028 nan 4.420 nan 0.000 0.267 829 P C -0.562 176.760 177.300 0.037 0.000 1.195 829 P CA 0.138 63.263 63.100 0.042 0.000 0.773 829 P CB 0.633 32.354 31.700 0.036 0.000 0.837 830 S N 0.690 116.413 115.700 0.039 0.000 2.547 830 S HA 0.353 4.819 4.470 -0.007 0.000 0.281 830 S C 0.557 175.178 174.600 0.035 0.000 1.118 830 S CA -0.654 57.569 58.200 0.037 0.000 0.947 830 S CB 2.101 65.329 63.200 0.046 0.000 1.053 830 S HN 0.545 nan 8.310 nan 0.000 0.482 831 R N 1.817 122.335 120.500 0.030 0.000 2.393 831 R HA 0.218 4.554 4.340 -0.007 0.000 0.244 831 R C 0.508 176.822 176.300 0.024 0.000 0.920 831 R CA -0.070 56.048 56.100 0.031 0.000 1.076 831 R CB 0.147 30.465 30.300 0.030 0.000 1.119 831 R HN 0.697 nan 8.270 nan 0.000 0.524 832 Q N 1.911 121.726 119.800 0.024 0.000 2.263 832 Q HA -0.019 4.317 4.340 -0.007 0.000 0.289 832 Q C -0.810 175.194 176.000 0.008 0.000 1.061 832 Q CA 0.233 56.047 55.803 0.018 0.000 0.927 832 Q CB 0.664 29.417 28.738 0.026 0.000 1.154 832 Q HN 0.259 nan 8.270 nan 0.000 0.378 833 R N 3.026 123.521 120.500 -0.007 0.000 2.490 833 R HA 0.331 4.667 4.340 -0.007 0.000 0.278 833 R C -0.244 176.031 176.300 -0.042 0.000 1.069 833 R CA -0.493 55.591 56.100 -0.025 0.000 1.080 833 R CB 0.648 30.928 30.300 -0.033 0.000 1.030 833 R HN 0.619 nan 8.270 nan 0.000 0.491 834 L N 3.752 124.932 121.223 -0.071 0.000 2.360 834 L HA 0.371 4.707 4.340 -0.007 0.000 0.271 834 L C -1.583 175.225 176.870 -0.104 0.000 1.057 834 L CA -1.974 52.789 54.840 -0.128 0.000 0.803 834 L CB 1.637 43.580 42.059 -0.193 0.000 1.207 834 L HN 0.506 nan 8.230 nan 0.000 0.445 835 P HA -0.035 nan 4.420 nan 0.000 0.227 835 P C 0.223 177.487 177.300 -0.061 0.000 1.161 835 P CA 0.277 63.336 63.100 -0.068 0.000 0.788 835 P CB 0.018 31.686 31.700 -0.053 0.000 0.822 836 A N 2.530 125.304 122.820 -0.077 0.000 2.538 836 A HA -0.013 4.303 4.320 -0.007 0.000 0.280 836 A C -1.460 176.105 177.584 -0.032 0.000 0.987 836 A CA -0.083 51.920 52.037 -0.055 0.000 0.992 836 A CB -1.066 17.898 19.000 -0.061 0.000 0.841 836 A HN 0.273 nan 8.150 nan 0.000 0.478 837 P HA 0.480 nan 4.420 nan 0.000 0.307 837 P C -0.240 177.051 177.300 -0.014 0.000 1.371 837 P CA 0.781 63.874 63.100 -0.012 0.000 0.850 837 P CB 0.531 32.225 31.700 -0.010 0.000 2.144 838 D N -2.301 118.089 120.400 -0.016 0.000 4.259 838 D HA 0.134 4.770 4.640 -0.007 0.000 0.281 838 D C 0.791 177.081 176.300 -0.018 0.000 1.637 838 D CA -0.251 53.738 54.000 -0.018 0.000 0.993 838 D CB -0.574 40.212 40.800 -0.023 0.000 1.417 838 D HN 0.143 nan 8.370 nan 0.000 0.663 839 E N -0.366 119.822 120.200 -0.021 0.000 2.110 839 E HA 0.270 4.616 4.350 -0.007 0.000 0.194 839 E C 0.301 176.891 176.600 -0.017 0.000 0.944 839 E CA 0.960 57.349 56.400 -0.019 0.000 0.899 839 E CB -1.129 28.558 29.700 -0.021 0.000 0.907 839 E HN 0.721 nan 8.360 nan 0.000 0.473 840 K N 0.369 120.757 120.400 -0.020 0.000 4.387 840 K HA 0.180 4.496 4.320 -0.007 0.000 0.290 840 K C -0.076 176.515 176.600 -0.015 0.000 0.936 840 K CA 1.058 57.334 56.287 -0.018 0.000 0.890 840 K CB -2.952 29.539 32.500 -0.015 0.000 1.617 840 K HN 1.059 nan 8.250 nan 0.000 0.437 841 I N 0.000 120.560 120.570 -0.016 0.000 2.984 841 I HA 0.000 4.166 4.170 -0.007 0.000 0.288 841 I CA 0.000 61.291 61.300 -0.014 0.000 1.566 841 I CB 0.000 37.992 38.000 -0.014 0.000 1.214 841 I HN 0.000 nan 8.210 nan 0.000 0.494