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 2z1z_1_B DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SKYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYK 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.641 176.600 0.069 0.000 1.382 19 E CA 0.000 56.432 56.400 0.054 0.000 0.976 19 E CB 0.000 29.723 29.700 0.039 0.000 0.812 20 Y N 2.867 123.166 120.300 -0.001 0.000 2.497 20 Y HA 0.334 4.884 4.550 -0.000 0.000 0.334 20 Y C -0.661 175.239 175.900 -0.001 0.000 1.199 20 Y CA 0.765 58.864 58.100 -0.001 0.000 1.425 20 Y CB 0.842 39.302 38.460 -0.001 0.000 1.291 20 Y HN 0.522 nan 8.280 nan 0.000 0.562 21 K N 3.490 123.385 120.400 -0.842 0.000 2.468 21 K HA 0.300 4.621 4.320 0.001 0.000 0.252 21 K C -0.467 175.677 176.600 -0.760 0.000 0.932 21 K CA -0.840 55.153 56.287 -0.490 0.000 0.794 21 K CB 1.707 34.032 32.500 -0.291 0.000 1.241 21 K HN 0.758 nan 8.250 nan 0.000 0.428 22 T N -0.700 113.719 114.554 -0.225 0.000 2.701 22 T HA 0.151 4.502 4.350 0.001 0.000 0.303 22 T C 0.740 175.378 174.700 -0.104 0.000 1.030 22 T CA -0.250 61.820 62.100 -0.051 0.000 1.010 22 T CB 0.571 69.483 68.868 0.074 0.000 1.007 22 T HN 0.366 nan 8.240 nan 0.000 0.532 23 K N 0.085 120.464 120.400 -0.035 0.000 2.410 23 K HA 0.321 4.642 4.320 0.001 0.000 0.200 23 K C 0.178 176.769 176.600 -0.015 0.000 1.023 23 K CA -0.224 56.043 56.287 -0.034 0.000 1.149 23 K CB -0.213 32.281 32.500 -0.011 0.000 0.859 23 K HN 0.580 nan 8.250 nan 0.000 0.514 24 V N 0.103 120.013 119.914 -0.006 0.000 2.509 24 V HA 0.424 4.545 4.120 0.001 0.000 0.284 24 V C -0.206 175.884 176.094 -0.008 0.000 1.047 24 V CA -0.704 61.595 62.300 -0.001 0.000 0.952 24 V CB 1.453 33.282 31.823 0.009 0.000 0.988 24 V HN 0.255 nan 8.190 nan 0.000 0.469 25 S N 5.903 121.599 115.700 -0.006 0.000 2.580 25 S HA 0.435 4.906 4.470 0.001 0.000 0.274 25 S C 0.202 174.799 174.600 -0.004 0.000 1.329 25 S CA -0.720 57.476 58.200 -0.007 0.000 1.036 25 S CB 0.601 63.798 63.200 -0.005 0.000 0.919 25 S HN 0.946 nan 8.310 nan 0.000 0.515 26 R N 1.792 122.289 120.500 -0.005 0.000 2.537 26 R HA -0.042 4.299 4.340 0.001 0.000 0.281 26 R C 0.274 176.575 176.300 0.001 0.000 0.988 26 R CA -0.071 56.028 56.100 -0.002 0.000 1.077 26 R CB 0.076 30.375 30.300 -0.002 0.000 0.932 26 R HN 0.669 nan 8.270 nan 0.000 0.409 27 N N 1.962 120.662 118.700 0.001 0.000 2.276 27 N HA -0.117 4.624 4.740 0.001 0.000 0.279 27 N C 0.584 176.098 175.510 0.006 0.000 1.379 27 N CA 0.678 53.730 53.050 0.002 0.000 0.886 27 N CB 0.605 39.092 38.487 -0.001 0.000 1.199 27 N HN 0.546 nan 8.380 nan 0.000 0.493 28 S N 2.776 118.482 115.700 0.010 0.000 2.465 28 S HA -0.161 4.309 4.470 0.001 0.000 0.241 28 S C 1.211 175.824 174.600 0.022 0.000 1.000 28 S CA 1.167 59.377 58.200 0.017 0.000 0.964 28 S CB -0.332 62.879 63.200 0.019 0.000 0.763 28 S HN 0.730 nan 8.310 nan 0.000 0.512 29 N N 1.129 119.838 118.700 0.014 0.000 2.396 29 N HA 0.103 4.844 4.740 0.001 0.000 0.180 29 N C 1.617 177.131 175.510 0.007 0.000 1.028 29 N CA 1.076 54.133 53.050 0.012 0.000 0.893 29 N CB -0.189 38.298 38.487 -0.000 0.000 0.967 29 N HN 0.333 nan 8.380 nan 0.000 0.440 30 M N 0.303 119.905 119.600 0.003 0.000 2.288 30 M HA 0.043 4.524 4.480 0.001 0.000 0.266 30 M C 1.967 178.274 176.300 0.012 0.000 1.072 30 M CA 1.009 56.309 55.300 -0.000 0.000 1.132 30 M CB -0.898 31.697 32.600 -0.008 0.000 1.386 30 M HN 0.092 nan 8.290 nan 0.000 0.432 31 S N 0.919 116.630 115.700 0.019 0.000 2.402 31 S HA -0.081 4.390 4.470 0.001 0.000 0.229 31 S C 1.843 176.474 174.600 0.051 0.000 1.021 31 S CA 0.855 59.070 58.200 0.025 0.000 0.974 31 S CB -0.451 62.761 63.200 0.021 0.000 0.800 31 S HN 0.460 nan 8.310 nan 0.000 0.484 32 K N 0.298 120.743 120.400 0.075 0.000 2.113 32 K HA -0.034 4.287 4.320 0.001 0.000 0.208 32 K C 1.006 177.733 176.600 0.213 0.000 1.047 32 K CA 0.579 56.953 56.287 0.146 0.000 0.928 32 K CB -0.467 32.126 32.500 0.154 0.000 0.716 32 K HN 0.217 nan 8.250 nan 0.000 0.446 33 L N 0.594 121.899 121.223 0.136 0.000 2.294 33 L HA -0.103 4.238 4.340 0.001 0.000 0.203 33 L C -0.202 176.711 176.870 0.071 0.000 1.150 33 L CA 0.997 55.919 54.840 0.136 0.000 0.847 33 L CB -0.060 42.021 42.059 0.036 0.000 1.231 33 L HN 0.344 nan 8.230 nan 0.000 0.568 34 Q N -1.680 118.119 119.800 -0.002 0.000 2.939 34 Q HA 0.509 4.850 4.340 0.001 0.000 0.274 34 Q C -0.518 175.403 176.000 -0.131 0.000 0.941 34 Q CA -0.360 55.379 55.803 -0.107 0.000 0.824 34 Q CB -0.013 28.599 28.738 -0.211 0.000 1.779 34 Q HN 1.072 nan 8.270 nan 0.000 0.470 35 A N -0.264 122.481 122.820 -0.125 0.000 2.409 35 A HA 0.165 4.485 4.320 0.001 0.000 0.290 35 A C 0.917 178.431 177.584 -0.117 0.000 1.440 35 A CA 1.873 53.830 52.037 -0.134 0.000 0.775 35 A CB -2.137 16.753 19.000 -0.185 0.000 1.069 35 A HN 2.144 nan 8.150 nan 0.000 0.389 36 G N -2.258 106.511 108.800 -0.051 0.000 4.694 36 G HA2 0.516 4.476 3.960 0.001 0.000 0.218 36 G HA3 0.516 4.476 3.960 0.001 0.000 0.218 36 G C -0.192 174.762 174.900 0.090 0.000 0.652 36 G CA 0.325 45.421 45.100 -0.007 0.000 0.904 36 G HN 1.964 nan 8.290 nan 0.000 0.667 37 Y N -1.183 119.056 120.300 -0.102 0.000 2.661 37 Y HA -0.169 4.382 4.550 0.002 0.000 0.035 37 Y C 0.753 176.570 175.900 -0.139 0.000 1.936 37 Y CA -0.412 57.620 58.100 -0.114 0.000 1.323 37 Y CB -0.725 37.692 38.460 -0.071 0.000 1.986 37 Y HN 0.561 nan 8.280 nan 0.000 0.268 38 L N 4.902 125.696 121.223 -0.715 0.000 2.083 38 L HA -0.051 4.290 4.340 0.001 0.000 0.209 38 L C 1.473 178.030 176.870 -0.522 0.000 1.083 38 L CA 2.256 56.688 54.840 -0.679 0.000 0.752 38 L CB -0.576 40.833 42.059 -1.085 0.000 0.899 38 L HN 0.619 nan 8.230 nan 0.000 0.433 39 F N -0.077 119.681 119.950 -0.321 0.000 2.187 39 F HA 0.098 4.626 4.527 0.001 0.000 0.295 39 F C -0.146 175.654 175.800 -0.001 0.000 1.091 39 F CA 0.630 58.551 58.000 -0.132 0.000 1.308 39 F CB -2.314 36.625 39.000 -0.101 0.000 1.030 39 F HN 0.126 nan 8.300 nan 0.000 0.487 40 P HA -0.211 nan 4.420 nan 0.000 0.216 40 P C 1.739 179.088 177.300 0.081 0.000 1.154 40 P CA 1.632 64.815 63.100 0.138 0.000 0.865 40 P CB 0.019 31.802 31.700 0.137 0.000 0.789 41 E N -0.512 119.704 120.200 0.027 0.000 2.110 41 E HA -0.147 4.204 4.350 0.001 0.000 0.193 41 E C 1.949 178.582 176.600 0.056 0.000 0.988 41 E CA 1.108 57.502 56.400 -0.009 0.000 0.804 41 E CB -0.603 29.056 29.700 -0.067 0.000 0.745 41 E HN 0.260 nan 8.360 nan 0.000 0.458 42 I N 0.261 120.888 120.570 0.095 0.000 2.277 42 I HA -0.178 3.993 4.170 0.001 0.000 0.243 42 I C 2.559 178.808 176.117 0.219 0.000 1.094 42 I CA 0.878 62.274 61.300 0.160 0.000 1.393 42 I CB -0.493 37.584 38.000 0.128 0.000 1.078 42 I HN -0.014 nan 8.210 nan 0.000 0.417 43 A N 1.572 124.504 122.820 0.187 0.000 1.927 43 A HA -0.300 4.021 4.320 0.001 0.000 0.220 43 A C 2.477 180.149 177.584 0.148 0.000 1.185 43 A CA 2.341 54.478 52.037 0.168 0.000 0.639 43 A CB -0.855 18.231 19.000 0.144 0.000 0.820 43 A HN 0.461 nan 8.150 nan 0.000 0.451 44 R N -0.344 120.227 120.500 0.119 0.000 2.088 44 R HA -0.203 4.138 4.340 0.001 0.000 0.232 44 R C 2.286 178.665 176.300 0.132 0.000 1.136 44 R CA 1.946 58.105 56.100 0.097 0.000 0.926 44 R CB -0.473 29.858 30.300 0.052 0.000 0.837 44 R HN 0.501 nan 8.270 nan 0.000 0.429 45 R N -0.035 120.563 120.500 0.164 0.000 2.117 45 R HA -0.206 4.135 4.340 0.001 0.000 0.243 45 R C 2.550 179.021 176.300 0.285 0.000 1.143 45 R CA 2.026 58.269 56.100 0.238 0.000 0.968 45 R CB -0.455 30.043 30.300 0.329 0.000 0.863 45 R HN 0.296 nan 8.270 nan 0.000 0.444 46 R N 0.774 121.439 120.500 0.275 0.000 2.073 46 R HA -0.050 4.291 4.340 0.001 0.000 0.234 46 R C 1.980 178.420 176.300 0.233 0.000 1.134 46 R CA 2.288 58.541 56.100 0.254 0.000 0.952 46 R CB -0.602 29.832 30.300 0.224 0.000 0.850 46 R HN -0.003 nan 8.270 nan 0.000 0.433 47 S N 0.528 116.333 115.700 0.174 0.000 2.356 47 S HA -0.070 4.401 4.470 0.001 0.000 0.223 47 S C 2.033 176.707 174.600 0.123 0.000 1.032 47 S CA 1.108 59.386 58.200 0.131 0.000 1.005 47 S CB -0.636 62.622 63.200 0.097 0.000 0.867 47 S HN 0.586 nan 8.310 nan 0.000 0.449 48 A N 1.604 124.502 122.820 0.131 0.000 1.869 48 A HA -0.293 4.027 4.320 0.001 0.000 0.218 48 A C 1.854 179.523 177.584 0.141 0.000 1.203 48 A CA 2.543 54.650 52.037 0.116 0.000 0.638 48 A CB -1.447 17.625 19.000 0.119 0.000 0.831 48 A HN 0.641 nan 8.150 nan 0.000 0.450 49 H N -0.397 118.754 119.070 0.136 0.000 2.362 49 H HA -0.128 4.429 4.556 0.001 0.000 0.294 49 H C 1.697 177.143 175.328 0.197 0.000 1.113 49 H CA 2.259 58.425 56.048 0.196 0.000 1.253 49 H CB -0.246 29.647 29.762 0.217 0.000 1.363 49 H HN 0.398 nan 8.280 nan 0.000 0.494 50 L N -1.004 120.280 121.223 0.102 0.000 2.270 50 L HA -0.074 4.267 4.340 0.001 0.000 0.210 50 L C 1.974 178.829 176.870 -0.025 0.000 1.104 50 L CA 0.098 54.954 54.840 0.028 0.000 0.804 50 L CB -0.086 42.025 42.059 0.086 0.000 0.937 50 L HN 0.242 nan 8.230 nan 0.000 0.450 51 L N 0.082 121.297 121.223 -0.015 0.000 2.079 51 L HA -0.239 4.102 4.340 0.001 0.000 0.210 51 L C 2.492 179.293 176.870 -0.115 0.000 1.081 51 L CA 1.732 56.546 54.840 -0.043 0.000 0.752 51 L CB -0.704 41.345 42.059 -0.017 0.000 0.896 51 L HN 0.163 nan 8.230 nan 0.000 0.433 52 K N -1.235 119.059 120.400 -0.177 0.000 2.031 52 K HA -0.105 4.216 4.320 0.001 0.000 0.205 52 K C -0.203 175.994 176.600 -0.670 0.000 1.049 52 K CA 1.034 57.081 56.287 -0.400 0.000 0.939 52 K CB 0.068 32.332 32.500 -0.393 0.000 0.717 52 K HN 0.183 nan 8.250 nan 0.000 0.438 53 Y N 0.149 120.292 120.300 -0.262 0.000 2.712 53 Y HA 0.260 4.811 4.550 0.001 0.000 0.328 53 Y C -2.107 173.675 175.900 -0.196 0.000 0.995 53 Y CA -2.548 55.401 58.100 -0.251 0.000 1.283 53 Y CB 1.483 39.718 38.460 -0.375 0.000 1.092 53 Y HN 0.146 nan 8.280 nan 0.000 0.519 54 P HA -0.104 nan 4.420 nan 0.000 0.217 54 P C 0.474 177.763 177.300 -0.018 0.000 1.150 54 P CA 1.466 64.549 63.100 -0.030 0.000 0.832 54 P CB 0.473 32.152 31.700 -0.036 0.000 0.787 55 D N -1.102 119.288 120.400 -0.017 0.000 2.339 55 D HA 0.158 4.799 4.640 0.001 0.000 0.217 55 D C 0.664 176.930 176.300 -0.057 0.000 1.050 55 D CA 0.072 54.059 54.000 -0.022 0.000 0.856 55 D CB -0.441 40.354 40.800 -0.009 0.000 0.922 55 D HN 0.079 nan 8.370 nan 0.000 0.518 56 A N 0.958 123.715 122.820 -0.105 0.000 2.440 56 A HA 0.159 4.480 4.320 0.001 0.000 0.251 56 A C 0.549 178.054 177.584 -0.132 0.000 1.089 56 A CA -0.309 51.570 52.037 -0.263 0.000 0.779 56 A CB 0.348 19.054 19.000 -0.491 0.000 1.022 56 A HN -0.047 nan 8.150 nan 0.000 0.492 57 Q N 2.558 122.296 119.800 -0.103 0.000 2.835 57 Q HA 0.188 4.529 4.340 0.001 0.000 0.235 57 Q C -0.641 175.381 176.000 0.038 0.000 1.313 57 Q CA -0.200 55.597 55.803 -0.010 0.000 1.053 57 Q CB 0.333 29.072 28.738 0.001 0.000 1.443 57 Q HN 0.468 nan 8.270 nan 0.000 0.576 58 V N 3.983 123.935 119.914 0.063 0.000 2.446 58 V HA 0.089 4.210 4.120 0.001 0.000 0.276 58 V C 0.577 176.716 176.094 0.074 0.000 1.030 58 V CA 0.276 62.640 62.300 0.106 0.000 1.033 58 V CB 0.012 31.922 31.823 0.144 0.000 0.993 58 V HN 0.513 nan 8.190 nan 0.000 0.477 59 I N 4.369 124.975 120.570 0.060 0.000 2.336 59 I HA 0.276 4.447 4.170 0.001 0.000 0.292 59 I C 0.473 176.634 176.117 0.074 0.000 0.991 59 I CA 0.089 61.419 61.300 0.050 0.000 1.227 59 I CB 1.669 39.679 38.000 0.017 0.000 1.366 59 I HN 0.561 nan 8.210 nan 0.000 0.466 60 S N 7.415 123.168 115.700 0.089 0.000 2.404 60 S HA 0.455 4.926 4.470 0.001 0.000 0.309 60 S C 0.134 174.825 174.600 0.153 0.000 1.076 60 S CA -0.636 57.638 58.200 0.123 0.000 1.095 60 S CB 0.167 63.440 63.200 0.122 0.000 0.972 60 S HN 0.546 nan 8.310 nan 0.000 0.484 61 L N 5.167 126.504 121.223 0.190 0.000 3.034 61 L HA 0.396 4.737 4.340 0.001 0.000 0.245 61 L C 1.287 178.313 176.870 0.261 0.000 1.295 61 L CA -0.558 54.421 54.840 0.231 0.000 1.068 61 L CB -0.406 41.812 42.059 0.266 0.000 1.426 61 L HN 0.770 nan 8.230 nan 0.000 0.531 62 G N 0.129 109.082 108.800 0.255 0.000 3.411 62 G HA2 0.242 4.203 3.960 0.001 0.000 0.186 62 G HA3 0.242 4.203 3.960 0.001 0.000 0.186 62 G C 0.264 175.342 174.900 0.296 0.000 1.766 62 G CA -0.685 44.592 45.100 0.295 0.000 0.971 62 G HN 0.107 nan 8.290 nan 0.000 0.590 63 I N 2.273 122.974 120.570 0.219 0.000 3.214 63 I HA 0.002 4.173 4.170 0.001 0.000 0.332 63 I C 1.285 177.451 176.117 0.082 0.000 1.225 63 I CA 0.193 61.464 61.300 -0.048 0.000 1.453 63 I CB 0.093 37.942 38.000 -0.253 0.000 1.321 63 I HN 0.313 nan 8.210 nan 0.000 0.518 64 G N 6.373 115.268 108.800 0.159 0.000 2.526 64 G HA2 0.066 4.026 3.960 0.001 0.000 0.293 64 G HA3 0.066 4.026 3.960 0.001 0.000 0.293 64 G C -0.530 174.327 174.900 -0.071 0.000 0.882 64 G CA -0.099 45.207 45.100 0.344 0.000 1.656 64 G HN 0.748 nan 8.290 nan 0.000 0.474 65 D N 2.067 122.340 120.400 -0.211 0.000 2.686 65 D HA 0.342 4.982 4.640 0.001 0.000 0.249 65 D C 0.809 176.790 176.300 -0.531 0.000 1.260 65 D CA -0.460 53.328 54.000 -0.355 0.000 0.910 65 D CB 1.097 41.812 40.800 -0.143 0.000 1.323 65 D HN 0.365 nan 8.370 nan 0.000 0.561 66 T N 0.803 114.908 114.554 -0.748 0.000 2.923 66 T HA 0.136 4.487 4.350 0.001 0.000 0.309 66 T C 1.172 175.891 174.700 0.031 0.000 1.059 66 T CA 0.631 62.499 62.100 -0.387 0.000 1.133 66 T CB 0.602 69.371 68.868 -0.166 0.000 1.053 66 T HN 0.496 nan 8.240 nan 0.000 0.530 67 T N -2.586 112.145 114.554 0.295 0.000 2.993 67 T HA 0.224 4.575 4.350 0.001 0.000 0.260 67 T C 0.168 175.084 174.700 0.361 0.000 0.939 67 T CA -0.492 61.779 62.100 0.285 0.000 0.886 67 T CB 0.358 69.371 68.868 0.241 0.000 1.209 67 T HN 0.526 nan 8.240 nan 0.000 0.518 68 E N 3.237 123.663 120.200 0.376 0.000 2.349 68 E HA 0.492 4.843 4.350 0.001 0.000 0.265 68 E C -2.434 174.249 176.600 0.138 0.000 1.064 68 E CA -2.532 53.969 56.400 0.168 0.000 0.886 68 E CB 0.277 29.955 29.700 -0.036 0.000 1.036 68 E HN 0.280 nan 8.360 nan 0.000 0.413 69 P HA 0.106 nan 4.420 nan 0.000 0.268 69 P C 0.066 177.421 177.300 0.092 0.000 1.205 69 P CA -0.007 63.132 63.100 0.065 0.000 0.771 69 P CB 0.323 32.036 31.700 0.022 0.000 0.858 70 I N 3.939 124.581 120.570 0.119 0.000 2.826 70 I HA -0.045 4.126 4.170 0.001 0.000 0.295 70 I C -1.631 174.555 176.117 0.115 0.000 1.213 70 I CA -1.295 60.100 61.300 0.159 0.000 1.436 70 I CB -0.527 37.583 38.000 0.183 0.000 1.348 70 I HN 0.223 nan 8.210 nan 0.000 0.570 71 P HA -0.081 nan 4.420 nan 0.000 0.261 71 P C 0.580 177.929 177.300 0.081 0.000 1.173 71 P CA 0.221 63.372 63.100 0.086 0.000 0.760 71 P CB 0.520 32.275 31.700 0.093 0.000 0.783 72 E N 2.664 122.897 120.200 0.055 0.000 2.187 72 E HA -0.217 4.134 4.350 0.001 0.000 0.199 72 E C 1.555 178.187 176.600 0.053 0.000 1.004 72 E CA 1.169 57.597 56.400 0.047 0.000 0.813 72 E CB -0.223 29.497 29.700 0.033 0.000 0.736 72 E HN 0.243 nan 8.360 nan 0.000 0.468 73 V N 0.421 120.368 119.914 0.056 0.000 2.515 73 V HA -0.192 3.929 4.120 0.001 0.000 0.250 73 V C 1.852 177.986 176.094 0.067 0.000 1.058 73 V CA 1.266 63.598 62.300 0.053 0.000 1.064 73 V CB -0.272 31.578 31.823 0.046 0.000 0.675 73 V HN 0.317 nan 8.190 nan 0.000 0.461 74 I N 1.380 122.006 120.570 0.093 0.000 2.163 74 I HA -0.154 4.017 4.170 0.001 0.000 0.240 74 I C 2.816 179.000 176.117 0.111 0.000 1.081 74 I CA 2.222 63.600 61.300 0.131 0.000 1.353 74 I CB -2.151 35.980 38.000 0.217 0.000 1.054 74 I HN 0.550 nan 8.210 nan 0.000 0.407 75 T N -1.433 113.174 114.554 0.089 0.000 2.821 75 T HA -0.088 4.263 4.350 0.001 0.000 0.267 75 T C 2.085 176.807 174.700 0.035 0.000 1.046 75 T CA 1.566 63.694 62.100 0.047 0.000 1.139 75 T CB -0.603 68.289 68.868 0.040 0.000 0.871 75 T HN 0.151 nan 8.240 nan 0.000 0.454 76 S N 1.958 117.686 115.700 0.045 0.000 2.370 76 S HA 0.032 4.503 4.470 0.001 0.000 0.226 76 S C 2.634 177.262 174.600 0.045 0.000 1.033 76 S CA 1.108 59.335 58.200 0.046 0.000 1.011 76 S CB -0.911 62.316 63.200 0.045 0.000 0.852 76 S HN 0.788 nan 8.310 nan 0.000 0.457 77 A N 1.297 124.145 122.820 0.046 0.000 1.902 77 A HA -0.082 4.239 4.320 0.001 0.000 0.217 77 A C 2.162 179.763 177.584 0.029 0.000 1.181 77 A CA 1.538 53.600 52.037 0.042 0.000 0.623 77 A CB -0.595 18.434 19.000 0.048 0.000 0.818 77 A HN 0.468 nan 8.150 nan 0.000 0.443 78 M N -0.735 118.877 119.600 0.020 0.000 2.086 78 M HA -0.143 4.337 4.480 0.001 0.000 0.261 78 M C 2.586 178.859 176.300 -0.045 0.000 1.067 78 M CA 1.434 56.723 55.300 -0.017 0.000 1.116 78 M CB -0.414 32.160 32.600 -0.043 0.000 1.348 78 M HN 0.492 nan 8.290 nan 0.000 0.407 79 A N 0.517 123.313 122.820 -0.041 0.000 1.883 79 A HA -0.257 4.064 4.320 0.001 0.000 0.217 79 A C 2.100 179.644 177.584 -0.066 0.000 1.186 79 A CA 2.295 54.281 52.037 -0.086 0.000 0.624 79 A CB -0.755 18.233 19.000 -0.020 0.000 0.822 79 A HN 0.501 nan 8.150 nan 0.000 0.444 80 K N -0.455 119.974 120.400 0.048 0.000 2.097 80 K HA -0.199 4.121 4.320 0.001 0.000 0.205 80 K C 2.095 178.736 176.600 0.068 0.000 1.050 80 K CA 1.727 58.083 56.287 0.115 0.000 0.938 80 K CB -0.135 32.420 32.500 0.090 0.000 0.718 80 K HN 0.230 nan 8.250 nan 0.000 0.442 81 K N 1.017 121.430 120.400 0.021 0.000 2.044 81 K HA -0.129 4.192 4.320 0.001 0.000 0.210 81 K C 1.794 178.388 176.600 -0.011 0.000 1.049 81 K CA 1.850 58.140 56.287 0.006 0.000 0.927 81 K CB -0.672 31.824 32.500 -0.008 0.000 0.713 81 K HN 0.278 nan 8.250 nan 0.000 0.443 82 A N 0.310 123.089 122.820 -0.070 0.000 1.877 82 A HA -0.189 4.132 4.320 0.001 0.000 0.216 82 A C 2.044 179.569 177.584 -0.098 0.000 1.186 82 A CA 1.779 53.748 52.037 -0.114 0.000 0.620 82 A CB -0.937 17.941 19.000 -0.204 0.000 0.822 82 A HN 0.503 nan 8.150 nan 0.000 0.443 83 H N -0.137 118.941 119.070 0.014 0.000 2.387 83 H HA -0.095 4.461 4.556 0.001 0.000 0.299 83 H C 1.930 177.274 175.328 0.025 0.000 1.090 83 H CA 1.683 57.740 56.048 0.016 0.000 1.332 83 H CB -0.240 29.529 29.762 0.011 0.000 1.386 83 H HN 0.690 nan 8.280 nan 0.000 0.516 84 E N 0.511 120.792 120.200 0.134 0.000 2.204 84 E HA -0.075 4.275 4.350 0.001 0.000 0.194 84 E C 2.164 178.829 176.600 0.108 0.000 0.989 84 E CA 0.228 56.688 56.400 0.099 0.000 0.824 84 E CB -0.002 29.737 29.700 0.066 0.000 0.756 84 E HN 0.378 nan 8.360 nan 0.000 0.477 85 L N 0.893 122.183 121.223 0.111 0.000 2.353 85 L HA -0.099 4.242 4.340 0.001 0.000 0.220 85 L C 2.229 179.216 176.870 0.196 0.000 1.133 85 L CA 0.870 55.838 54.840 0.213 0.000 0.798 85 L CB -0.355 41.821 42.059 0.195 0.000 0.922 85 L HN 0.116 nan 8.230 nan 0.000 0.445 86 S N -1.822 113.943 115.700 0.107 0.000 2.634 86 S HA 0.055 4.526 4.470 0.001 0.000 0.221 86 S C 0.761 175.389 174.600 0.047 0.000 0.952 86 S CA -0.140 58.091 58.200 0.052 0.000 0.930 86 S CB -0.593 62.636 63.200 0.047 0.000 0.780 86 S HN 0.420 nan 8.310 nan 0.000 0.498 87 T N -1.549 113.053 114.554 0.080 0.000 2.932 87 T HA 0.601 4.952 4.350 0.001 0.000 0.289 87 T C 1.084 175.834 174.700 0.083 0.000 1.039 87 T CA -0.974 61.163 62.100 0.063 0.000 1.024 87 T CB 0.843 69.746 68.868 0.059 0.000 1.090 87 T HN -0.061 nan 8.240 nan 0.000 0.496 88 I N 0.906 121.511 120.570 0.058 0.000 2.202 88 I HA -0.082 4.089 4.170 0.001 0.000 0.242 88 I C 2.706 178.872 176.117 0.081 0.000 1.091 88 I CA 1.410 62.751 61.300 0.067 0.000 1.368 88 I CB -1.045 36.978 38.000 0.038 0.000 1.058 88 I HN 0.965 nan 8.210 nan 0.000 0.410 89 E N 1.651 121.884 120.200 0.056 0.000 2.063 89 E HA -0.264 4.087 4.350 0.001 0.000 0.221 89 E C 1.798 178.429 176.600 0.053 0.000 1.052 89 E CA 2.370 58.797 56.400 0.046 0.000 0.891 89 E CB -0.580 29.141 29.700 0.034 0.000 0.792 89 E HN 0.401 nan 8.360 nan 0.000 0.482 90 G N -0.404 108.434 108.800 0.063 0.000 3.233 90 G HA2 -0.063 3.898 3.960 0.001 0.000 0.227 90 G HA3 -0.063 3.898 3.960 0.001 0.000 0.227 90 G C 0.108 175.051 174.900 0.071 0.000 1.175 90 G CA -0.277 44.852 45.100 0.049 0.000 0.781 90 G HN 0.312 nan 8.290 nan 0.000 0.542 91 Y N 1.751 122.050 120.300 -0.003 0.000 2.511 91 Y HA 0.346 4.897 4.550 0.001 0.000 0.332 91 Y C 1.072 176.962 175.900 -0.015 0.000 1.177 91 Y CA -0.238 57.855 58.100 -0.013 0.000 1.422 91 Y CB 1.149 39.599 38.460 -0.016 0.000 1.271 91 Y HN 0.043 nan 8.280 nan 0.000 0.550 92 S N 2.779 117.786 115.700 -1.154 0.000 2.836 92 S HA 0.728 5.199 4.470 0.001 0.000 0.164 92 S C 0.449 174.398 174.600 -1.086 0.000 0.714 92 S CA 0.154 57.836 58.200 -0.864 0.000 0.906 92 S CB -0.294 62.641 63.200 -0.442 0.000 0.702 92 S HN 1.341 nan 8.310 nan 0.000 0.571 93 G N 0.058 108.358 108.800 -0.834 0.000 2.352 93 G HA2 -0.013 3.948 3.960 0.001 0.000 0.324 93 G HA3 -0.013 3.948 3.960 0.001 0.000 0.324 93 G C -1.235 173.517 174.900 -0.247 0.000 1.249 93 G CA -0.878 43.981 45.100 -0.402 0.000 1.053 93 G HN 0.292 nan 8.290 nan 0.000 0.492 94 Y N 1.356 121.603 120.300 -0.088 0.000 2.385 94 Y HA 0.412 4.963 4.550 0.001 0.000 0.346 94 Y C 1.558 177.411 175.900 -0.079 0.000 1.270 94 Y CA 1.867 59.921 58.100 -0.076 0.000 1.472 94 Y CB 0.402 38.831 38.460 -0.052 0.000 1.354 94 Y HN 2.305 nan 8.280 nan 0.000 0.611 95 G N 0.217 109.115 108.800 0.163 0.000 2.855 95 G HA2 0.242 4.203 3.960 0.001 0.000 0.352 95 G HA3 0.242 4.203 3.960 0.001 0.000 0.352 95 G C -0.158 174.764 174.900 0.037 0.000 1.415 95 G CA -0.327 44.815 45.100 0.070 0.000 0.871 95 G HN 1.970 nan 8.290 nan 0.000 0.543 96 A N -1.047 121.787 122.820 0.023 0.000 2.237 96 A HA -0.014 4.307 4.320 0.001 0.000 0.281 96 A C 1.373 178.987 177.584 0.050 0.000 1.414 96 A CA 1.987 54.044 52.037 0.032 0.000 0.733 96 A CB -1.500 17.516 19.000 0.026 0.000 1.168 96 A HN 1.964 nan 8.150 nan 0.000 0.347 97 E N 0.471 120.702 120.200 0.051 0.000 2.409 97 E HA -0.215 4.135 4.350 0.001 0.000 0.198 97 E C 1.581 178.335 176.600 0.257 0.000 1.024 97 E CA 0.919 57.369 56.400 0.084 0.000 0.861 97 E CB -0.006 29.722 29.700 0.046 0.000 0.788 97 E HN 0.920 nan 8.360 nan 0.000 0.521 98 Q N 1.089 121.014 119.800 0.208 0.000 2.291 98 Q HA -0.027 4.314 4.340 0.001 0.000 0.205 98 Q C 0.497 176.614 176.000 0.196 0.000 0.970 98 Q CA 1.001 56.937 55.803 0.222 0.000 0.876 98 Q CB 0.094 28.858 28.738 0.044 0.000 0.935 98 Q HN 0.337 nan 8.270 nan 0.000 0.455 99 G N -0.736 108.163 108.800 0.164 0.000 2.570 99 G HA2 -0.029 3.932 3.960 0.001 0.000 0.686 99 G HA3 -0.029 3.932 3.960 0.001 0.000 0.686 99 G C -0.807 174.138 174.900 0.076 0.000 1.257 99 G CA -0.543 44.643 45.100 0.144 0.000 0.846 99 G HN 0.394 nan 8.290 nan 0.000 0.627 100 A N 0.721 123.581 122.820 0.067 0.000 2.511 100 A HA 0.554 4.875 4.320 0.001 0.000 0.242 100 A C 1.620 179.220 177.584 0.026 0.000 1.069 100 A CA 1.343 53.402 52.037 0.036 0.000 0.763 100 A CB 0.240 19.258 19.000 0.030 0.000 1.001 100 A HN 1.344 nan 8.150 nan 0.000 0.498 101 K N 2.851 123.255 120.400 0.007 0.000 2.032 101 K HA -0.177 4.143 4.320 0.001 0.000 0.218 101 K C -1.097 175.500 176.600 -0.005 0.000 1.054 101 K CA 2.422 58.705 56.287 -0.007 0.000 0.941 101 K CB -2.010 30.483 32.500 -0.011 0.000 0.720 101 K HN 0.546 nan 8.250 nan 0.000 0.449 102 P HA -0.123 nan 4.420 nan 0.000 0.221 102 P C 1.267 178.572 177.300 0.008 0.000 1.145 102 P CA 0.931 64.031 63.100 0.000 0.000 0.795 102 P CB 0.100 31.801 31.700 0.002 0.000 0.775 103 L N -1.102 120.135 121.223 0.024 0.000 2.127 103 L HA -0.017 4.324 4.340 0.001 0.000 0.203 103 L C 2.435 179.324 176.870 0.033 0.000 1.080 103 L CA 1.229 56.097 54.840 0.047 0.000 0.768 103 L CB -0.180 41.929 42.059 0.083 0.000 0.924 103 L HN -0.133 nan 8.230 nan 0.000 0.444 104 R N -0.263 120.249 120.500 0.021 0.000 2.096 104 R HA -0.159 4.182 4.340 0.001 0.000 0.235 104 R C 2.262 178.545 176.300 -0.028 0.000 1.127 104 R CA 1.338 57.433 56.100 -0.009 0.000 0.968 104 R CB -0.381 29.901 30.300 -0.030 0.000 0.861 104 R HN 0.414 nan 8.270 nan 0.000 0.440 105 A N 1.225 124.031 122.820 -0.023 0.000 1.877 105 A HA -0.135 4.186 4.320 0.001 0.000 0.216 105 A C 2.369 179.934 177.584 -0.031 0.000 1.186 105 A CA 1.792 53.813 52.037 -0.028 0.000 0.620 105 A CB -0.647 18.339 19.000 -0.025 0.000 0.822 105 A HN 0.403 nan 8.150 nan 0.000 0.443 106 A N -0.254 122.549 122.820 -0.029 0.000 1.898 106 A HA -0.019 4.301 4.320 0.001 0.000 0.216 106 A C 2.122 179.659 177.584 -0.079 0.000 1.181 106 A CA 1.427 53.436 52.037 -0.047 0.000 0.620 106 A CB -0.591 18.399 19.000 -0.018 0.000 0.819 106 A HN 0.499 nan 8.150 nan 0.000 0.442 107 I N -0.157 120.373 120.570 -0.066 0.000 2.142 107 I HA -0.280 3.890 4.170 0.001 0.000 0.240 107 I C 3.020 179.148 176.117 0.018 0.000 1.078 107 I CA 1.032 62.261 61.300 -0.119 0.000 1.343 107 I CB -0.514 37.251 38.000 -0.393 0.000 1.046 107 I HN 0.348 nan 8.210 nan 0.000 0.405 108 A N 0.874 123.719 122.820 0.043 0.000 1.869 108 A HA -0.323 3.998 4.320 0.001 0.000 0.218 108 A C 2.267 179.909 177.584 0.097 0.000 1.203 108 A CA 2.357 54.475 52.037 0.136 0.000 0.638 108 A CB -0.642 18.374 19.000 0.026 0.000 0.831 108 A HN 0.238 nan 8.150 nan 0.000 0.450 109 K N -0.829 119.564 120.400 -0.012 0.000 1.991 109 K HA -0.076 4.245 4.320 0.001 0.000 0.212 109 K C 2.223 178.743 176.600 -0.133 0.000 1.049 109 K CA 2.177 58.429 56.287 -0.058 0.000 0.932 109 K CB -0.930 31.524 32.500 -0.076 0.000 0.717 109 K HN 0.556 nan 8.250 nan 0.000 0.441 110 T N -0.067 114.337 114.554 -0.251 0.000 2.708 110 T HA -0.084 4.267 4.350 0.001 0.000 0.266 110 T C 1.447 175.763 174.700 -0.640 0.000 1.037 110 T CA 1.585 63.384 62.100 -0.500 0.000 1.146 110 T CB -0.267 68.157 68.868 -0.741 0.000 0.865 110 T HN 0.091 nan 8.240 nan 0.000 0.435 111 F N -1.108 118.652 119.950 -0.315 0.000 2.731 111 F HA 0.329 4.857 4.527 0.001 0.000 0.298 111 F C 0.675 176.019 175.800 -0.759 0.000 1.106 111 F CA -0.447 57.221 58.000 -0.554 0.000 1.329 111 F CB 0.252 38.834 39.000 -0.695 0.000 1.100 111 F HN 0.126 nan 8.300 nan 0.000 0.592 112 Y N -0.356 120.036 120.300 0.153 0.000 2.719 112 Y HA 0.428 4.979 4.550 0.001 0.000 0.251 112 Y C 1.172 177.089 175.900 0.029 0.000 1.159 112 Y CA -1.375 56.794 58.100 0.114 0.000 1.166 112 Y CB -0.160 38.357 38.460 0.096 0.000 1.219 112 Y HN -0.097 nan 8.280 nan 0.000 0.551 113 G N 0.203 109.045 108.800 0.069 0.000 2.334 113 G HA2 0.388 4.348 3.960 0.001 0.000 0.261 113 G HA3 0.388 4.348 3.960 0.001 0.000 0.261 113 G C 1.055 175.976 174.900 0.035 0.000 1.257 113 G CA 0.503 45.620 45.100 0.027 0.000 0.935 113 G HN 0.726 nan 8.290 nan 0.000 0.480 114 G N 1.284 110.102 108.800 0.030 0.000 2.175 114 G HA2 -0.258 3.703 3.960 0.001 0.000 0.244 114 G HA3 -0.258 3.703 3.960 0.001 0.000 0.244 114 G C 0.827 175.756 174.900 0.049 0.000 0.982 114 G CA 0.389 45.507 45.100 0.031 0.000 0.641 114 G HN 0.820 nan 8.290 nan 0.000 0.527 115 L N 0.304 121.571 121.223 0.073 0.000 2.910 115 L HA 0.479 4.819 4.340 0.001 0.000 0.252 115 L C 1.850 178.727 176.870 0.011 0.000 1.195 115 L CA 0.363 55.259 54.840 0.094 0.000 1.003 115 L CB 0.280 42.468 42.059 0.216 0.000 1.328 115 L HN 0.901 nan 8.230 nan 0.000 0.540 116 G N 1.428 110.219 108.800 -0.014 0.000 2.176 116 G HA2 -0.291 3.670 3.960 0.001 0.000 0.252 116 G HA3 -0.291 3.670 3.960 0.001 0.000 0.252 116 G C -0.153 174.674 174.900 -0.121 0.000 1.024 116 G CA 0.016 45.082 45.100 -0.057 0.000 0.755 116 G HN 0.270 nan 8.290 nan 0.000 0.507 117 I N 1.393 121.890 120.570 -0.122 0.000 2.339 117 I HA 0.590 4.761 4.170 0.001 0.000 0.290 117 I C 1.066 177.117 176.117 -0.111 0.000 0.994 117 I CA 0.030 61.211 61.300 -0.198 0.000 1.191 117 I CB 1.637 39.461 38.000 -0.293 0.000 1.343 117 I HN 0.174 nan 8.210 nan 0.000 0.458 118 G N 3.215 111.946 108.800 -0.114 0.000 2.476 118 G HA2 0.175 4.136 3.960 0.001 0.000 0.286 118 G HA3 0.175 4.136 3.960 0.001 0.000 0.286 118 G C 0.423 175.271 174.900 -0.086 0.000 1.177 118 G CA -0.341 44.710 45.100 -0.081 0.000 0.870 118 G HN 0.640 nan 8.290 nan 0.000 0.528 119 D N 0.297 120.655 120.400 -0.070 0.000 2.242 119 D HA -0.201 4.440 4.640 0.001 0.000 0.190 119 D C 2.051 178.277 176.300 -0.124 0.000 1.012 119 D CA 1.954 55.908 54.000 -0.078 0.000 0.875 119 D CB 0.111 40.872 40.800 -0.065 0.000 0.922 119 D HN 0.615 nan 8.370 nan 0.000 0.448 120 D N -0.344 119.979 120.400 -0.129 0.000 2.347 120 D HA -0.093 4.548 4.640 0.001 0.000 0.215 120 D C 0.699 176.850 176.300 -0.249 0.000 0.976 120 D CA 0.443 54.334 54.000 -0.182 0.000 0.884 120 D CB -0.277 40.457 40.800 -0.111 0.000 0.915 120 D HN 0.140 nan 8.370 nan 0.000 0.526 121 D N 0.293 120.595 120.400 -0.163 0.000 2.340 121 D HA 0.047 4.688 4.640 0.001 0.000 0.220 121 D C 0.176 176.470 176.300 -0.010 0.000 1.039 121 D CA 0.088 54.051 54.000 -0.062 0.000 0.866 121 D CB 0.864 41.605 40.800 -0.099 0.000 0.913 121 D HN 0.110 nan 8.370 nan 0.000 0.523 122 V N 1.375 121.191 119.914 -0.163 0.000 2.427 122 V HA 0.300 4.421 4.120 0.001 0.000 0.286 122 V C -0.595 175.456 176.094 -0.072 0.000 1.034 122 V CA -0.612 61.702 62.300 0.024 0.000 0.893 122 V CB 1.156 32.975 31.823 -0.007 0.000 0.982 122 V HN -0.141 nan 8.190 nan 0.000 0.452 123 F N 3.432 123.555 119.950 0.289 0.000 2.445 123 F HA 0.498 5.026 4.527 0.001 0.000 0.348 123 F C 0.074 176.109 175.800 0.392 0.000 1.125 123 F CA -0.937 57.268 58.000 0.341 0.000 0.983 123 F CB 1.579 40.870 39.000 0.485 0.000 1.198 123 F HN 0.162 nan 8.300 nan 0.000 0.436 124 V N 3.299 123.496 119.914 0.471 0.000 2.555 124 V HA 0.463 4.584 4.120 0.001 0.000 0.286 124 V C 0.262 176.635 176.094 0.465 0.000 1.044 124 V CA -0.170 62.414 62.300 0.473 0.000 1.026 124 V CB 0.776 32.826 31.823 0.378 0.000 0.981 124 V HN 0.879 nan 8.190 nan 0.000 0.480 125 S N 2.086 118.021 115.700 0.392 0.000 2.709 125 S HA 0.440 4.910 4.470 0.001 0.000 0.302 125 S C 0.077 174.863 174.600 0.310 0.000 1.127 125 S CA -0.512 57.825 58.200 0.229 0.000 0.905 125 S CB 1.890 65.093 63.200 0.005 0.000 1.151 125 S HN 0.784 nan 8.310 nan 0.000 0.510 126 D N -0.302 120.270 120.400 0.285 0.000 2.413 126 D HA 0.390 5.031 4.640 0.001 0.000 0.237 126 D C 0.701 177.087 176.300 0.144 0.000 1.171 126 D CA 0.324 54.481 54.000 0.262 0.000 0.839 126 D CB -0.638 40.351 40.800 0.315 0.000 0.950 126 D HN 1.219 nan 8.370 nan 0.000 0.499 127 G N -1.304 107.556 108.800 0.101 0.000 2.375 127 G HA2 0.212 4.173 3.960 0.001 0.000 0.663 127 G HA3 0.212 4.173 3.960 0.001 0.000 0.663 127 G C 0.444 175.339 174.900 -0.008 0.000 1.391 127 G CA -0.262 44.868 45.100 0.050 0.000 0.949 127 G HN 0.304 nan 8.290 nan 0.000 0.646 128 A N 0.167 122.956 122.820 -0.051 0.000 2.015 128 A HA 0.080 4.401 4.320 0.001 0.000 0.219 128 A C 2.151 179.750 177.584 0.026 0.000 1.163 128 A CA 2.384 54.387 52.037 -0.056 0.000 0.646 128 A CB -0.278 18.636 19.000 -0.143 0.000 0.806 128 A HN 0.857 nan 8.150 nan 0.000 0.448 129 K N -0.546 119.880 120.400 0.043 0.000 2.062 129 K HA -0.117 4.204 4.320 0.001 0.000 0.205 129 K C 1.833 178.442 176.600 0.015 0.000 1.051 129 K CA 1.698 58.018 56.287 0.055 0.000 0.941 129 K CB -0.384 32.144 32.500 0.047 0.000 0.719 129 K HN 0.559 nan 8.250 nan 0.000 0.440 130 C N 1.396 120.693 119.300 -0.006 0.000 2.432 130 C HA -0.049 4.412 4.460 0.001 0.000 0.280 130 C C 2.026 176.986 174.990 -0.049 0.000 1.353 130 C CA 0.274 59.267 59.018 -0.043 0.000 1.766 130 C CB -0.751 26.947 27.740 -0.070 0.000 1.924 130 C HN 0.523 nan 8.230 nan 0.000 0.509 131 D N 1.179 121.572 120.400 -0.012 0.000 2.117 131 D HA -0.067 4.574 4.640 0.001 0.000 0.197 131 D C 1.913 178.273 176.300 0.100 0.000 0.987 131 D CA 1.217 55.247 54.000 0.051 0.000 0.829 131 D CB -0.253 40.571 40.800 0.040 0.000 0.961 131 D HN 0.460 nan 8.370 nan 0.000 0.460 132 I N 0.803 121.441 120.570 0.114 0.000 2.286 132 I HA -0.231 3.940 4.170 0.001 0.000 0.248 132 I C 2.485 178.671 176.117 0.115 0.000 1.115 132 I CA 0.584 61.986 61.300 0.170 0.000 1.392 132 I CB -0.101 38.018 38.000 0.199 0.000 1.065 132 I HN -0.134 nan 8.210 nan 0.000 0.418 133 S N 0.581 116.312 115.700 0.051 0.000 2.378 133 S HA -0.261 4.209 4.470 0.001 0.000 0.221 133 S C 2.100 176.720 174.600 0.033 0.000 1.037 133 S CA 1.648 59.862 58.200 0.023 0.000 1.069 133 S CB -0.368 62.824 63.200 -0.013 0.000 1.006 133 S HN 0.334 nan 8.310 nan 0.000 0.423 134 R N 0.598 121.110 120.500 0.020 0.000 2.117 134 R HA -0.072 4.269 4.340 0.001 0.000 0.243 134 R C 2.302 178.664 176.300 0.103 0.000 1.143 134 R CA 1.260 57.372 56.100 0.020 0.000 0.968 134 R CB -0.535 29.734 30.300 -0.051 0.000 0.863 134 R HN 0.369 nan 8.270 nan 0.000 0.444 135 L N 0.219 121.525 121.223 0.138 0.000 2.083 135 L HA -0.212 4.129 4.340 0.001 0.000 0.209 135 L C 2.554 179.319 176.870 -0.175 0.000 1.083 135 L CA 1.175 55.968 54.840 -0.078 0.000 0.752 135 L CB -0.334 41.686 42.059 -0.064 0.000 0.899 135 L HN 0.260 nan 8.230 nan 0.000 0.433 136 Q N -0.666 119.187 119.800 0.088 0.000 2.187 136 Q HA -0.092 4.248 4.340 0.001 0.000 0.199 136 Q C 2.374 178.458 176.000 0.140 0.000 0.957 136 Q CA 1.102 57.035 55.803 0.218 0.000 0.857 136 Q CB -0.041 28.817 28.738 0.200 0.000 0.929 136 Q HN 0.390 nan 8.270 nan 0.000 0.453 137 V N 1.286 121.237 119.914 0.062 0.000 2.358 137 V HA -0.252 3.869 4.120 0.001 0.000 0.246 137 V C 2.417 178.527 176.094 0.027 0.000 1.047 137 V CA 1.562 63.886 62.300 0.039 0.000 1.035 137 V CB -0.597 31.233 31.823 0.011 0.000 0.658 137 V HN 0.366 nan 8.190 nan 0.000 0.452 138 M N -0.600 118.990 119.600 -0.016 0.000 2.082 138 M HA -0.234 4.247 4.480 0.001 0.000 0.258 138 M C 2.158 178.487 176.300 0.049 0.000 1.069 138 M CA 2.294 57.584 55.300 -0.016 0.000 1.102 138 M CB -0.276 32.302 32.600 -0.036 0.000 1.336 138 M HN 0.332 nan 8.290 nan 0.000 0.404 139 F N 0.613 120.653 119.950 0.151 0.000 2.134 139 F HA 0.126 4.653 4.527 0.001 0.000 0.299 139 F C 1.910 177.746 175.800 0.060 0.000 1.097 139 F CA 1.141 59.219 58.000 0.130 0.000 1.264 139 F CB -1.426 37.656 39.000 0.137 0.000 1.001 139 F HN 0.414 nan 8.300 nan 0.000 0.479 140 G N -0.576 108.360 108.800 0.226 0.000 2.728 140 G HA2 -0.190 3.770 3.960 0.001 0.000 0.294 140 G HA3 -0.190 3.770 3.960 0.001 0.000 0.294 140 G C 0.730 175.695 174.900 0.108 0.000 1.342 140 G CA 0.002 45.174 45.100 0.119 0.000 0.866 140 G HN 0.577 nan 8.290 nan 0.000 0.534 141 S N -0.875 114.862 115.700 0.061 0.000 2.522 141 S HA 0.034 4.505 4.470 0.001 0.000 0.227 141 S C 1.400 176.025 174.600 0.042 0.000 0.986 141 S CA 1.397 59.626 58.200 0.048 0.000 0.929 141 S CB -0.000 63.217 63.200 0.029 0.000 0.769 141 S HN 0.781 nan 8.310 nan 0.000 0.529 142 N N 1.442 120.164 118.700 0.038 0.000 2.270 142 N HA 0.099 4.840 4.740 0.001 0.000 0.198 142 N C 0.379 175.898 175.510 0.015 0.000 1.117 142 N CA 0.107 53.170 53.050 0.020 0.000 0.845 142 N CB 0.655 39.144 38.487 0.003 0.000 0.980 142 N HN 0.479 nan 8.380 nan 0.000 0.486 143 V N -0.641 119.287 119.914 0.024 0.000 2.997 143 V HA 0.560 4.681 4.120 0.001 0.000 0.311 143 V C 0.516 176.605 176.094 -0.009 0.000 1.066 143 V CA -0.587 61.706 62.300 -0.013 0.000 1.039 143 V CB 1.122 32.907 31.823 -0.064 0.000 1.081 143 V HN 0.091 nan 8.190 nan 0.000 0.467 144 T N 0.778 115.314 114.554 -0.030 0.000 2.918 144 T HA 0.819 5.169 4.350 0.001 0.000 0.286 144 T C -0.368 174.316 174.700 -0.026 0.000 1.026 144 T CA -0.480 61.615 62.100 -0.009 0.000 1.031 144 T CB 1.669 70.536 68.868 -0.003 0.000 1.046 144 T HN 1.350 nan 8.240 nan 0.000 0.479 145 I N -1.301 119.278 120.570 0.014 0.000 2.730 145 I HA 0.909 5.080 4.170 0.001 0.000 0.298 145 I C -0.799 175.341 176.117 0.038 0.000 1.089 145 I CA -1.635 59.693 61.300 0.047 0.000 1.041 145 I CB 1.887 40.007 38.000 0.200 0.000 1.235 145 I HN 0.906 nan 8.210 nan 0.000 0.423 146 A N 5.085 127.936 122.820 0.052 0.000 2.337 146 A HA 0.912 5.233 4.320 0.001 0.000 0.329 146 A C -0.459 177.164 177.584 0.065 0.000 1.146 146 A CA -0.397 51.667 52.037 0.045 0.000 0.800 146 A CB 1.570 20.618 19.000 0.080 0.000 1.220 146 A HN 1.433 nan 8.150 nan 0.000 0.472 147 V N -0.178 119.733 119.914 -0.005 0.000 3.159 147 V HA 0.625 4.745 4.120 0.001 0.000 0.308 147 V C -0.593 175.494 176.094 -0.012 0.000 1.190 147 V CA -0.985 61.315 62.300 -0.000 0.000 1.037 147 V CB 1.129 32.922 31.823 -0.049 0.000 1.060 147 V HN 0.951 nan 8.190 nan 0.000 0.437 148 Q N 0.792 120.576 119.800 -0.027 0.000 2.317 148 Q HA 0.521 4.862 4.340 0.001 0.000 0.229 148 Q C -1.158 174.847 176.000 0.009 0.000 0.984 148 Q CA -0.035 55.728 55.803 -0.066 0.000 0.911 148 Q CB 1.036 29.647 28.738 -0.212 0.000 1.217 148 Q HN 0.922 nan 8.270 nan 0.000 0.501 149 D N 1.402 121.816 120.400 0.024 0.000 2.476 149 D HA 0.283 4.924 4.640 0.001 0.000 0.251 149 D C -2.678 173.642 176.300 0.033 0.000 1.291 149 D CA -2.013 52.056 54.000 0.114 0.000 0.939 149 D CB 1.351 42.306 40.800 0.259 0.000 1.221 149 D HN 0.081 nan 8.370 nan 0.000 0.567 150 P HA 0.258 nan 4.420 nan 0.000 0.278 150 P C -0.672 176.586 177.300 -0.071 0.000 1.238 150 P CA -0.435 62.669 63.100 0.007 0.000 0.794 150 P CB 1.597 33.248 31.700 -0.081 0.000 0.955 151 S N 1.315 117.060 115.700 0.075 0.000 2.595 151 S HA 0.359 4.830 4.470 0.001 0.000 0.281 151 S C -1.240 173.507 174.600 0.244 0.000 1.117 151 S CA -0.626 57.635 58.200 0.102 0.000 0.873 151 S CB 0.427 63.735 63.200 0.180 0.000 1.108 151 S HN 0.349 nan 8.310 nan 0.000 0.477 152 Y N 4.030 124.352 120.300 0.037 0.000 2.881 152 Y HA 0.137 4.688 4.550 0.002 0.000 0.335 152 Y C -1.948 173.867 175.900 -0.141 0.000 1.263 152 Y CA -0.724 57.368 58.100 -0.014 0.000 1.572 152 Y CB 0.536 38.856 38.460 -0.233 0.000 1.237 152 Y HN 0.544 nan 8.280 nan 0.000 0.568 153 P HA -0.242 nan 4.420 nan 0.000 0.216 153 P C 1.288 178.416 177.300 -0.288 0.000 1.150 153 P CA 2.705 65.651 63.100 -0.256 0.000 0.843 153 P CB 0.027 31.523 31.700 -0.340 0.000 0.787 154 A N -1.430 121.042 122.820 -0.579 0.000 1.997 154 A HA -0.262 4.059 4.320 0.001 0.000 0.221 154 A C 1.798 179.184 177.584 -0.330 0.000 1.172 154 A CA 1.789 53.558 52.037 -0.447 0.000 0.645 154 A CB -1.801 16.863 19.000 -0.561 0.000 0.813 154 A HN 0.194 nan 8.150 nan 0.000 0.454 155 Y N -0.909 119.238 120.300 -0.254 0.000 2.243 155 Y HA -0.030 4.521 4.550 0.001 0.000 0.293 155 Y C 2.570 178.238 175.900 -0.387 0.000 1.124 155 Y CA 0.615 58.424 58.100 -0.485 0.000 1.159 155 Y CB -1.113 36.950 38.460 -0.660 0.000 1.008 155 Y HN 0.064 nan 8.280 nan 0.000 0.527 156 V N 0.547 120.403 119.914 -0.096 0.000 2.244 156 V HA -0.263 3.858 4.120 0.001 0.000 0.244 156 V C 1.910 177.893 176.094 -0.185 0.000 1.042 156 V CA 2.265 64.493 62.300 -0.122 0.000 1.006 156 V CB -0.629 31.186 31.823 -0.013 0.000 0.641 156 V HN 0.306 nan 8.190 nan 0.000 0.446 157 D N 0.639 120.957 120.400 -0.136 0.000 2.149 157 D HA -0.145 4.496 4.640 0.001 0.000 0.198 157 D C 2.385 178.593 176.300 -0.152 0.000 0.990 157 D CA 1.842 55.756 54.000 -0.143 0.000 0.839 157 D CB -0.427 40.339 40.800 -0.056 0.000 0.948 157 D HN 0.607 nan 8.370 nan 0.000 0.460 158 S N -0.375 115.243 115.700 -0.137 0.000 2.423 158 S HA -0.096 4.374 4.470 0.001 0.000 0.231 158 S C 2.060 176.617 174.600 -0.071 0.000 1.014 158 S CA 1.154 59.296 58.200 -0.097 0.000 0.965 158 S CB -0.121 63.037 63.200 -0.069 0.000 0.785 158 S HN 0.110 nan 8.310 nan 0.000 0.495 159 S N 1.089 116.731 115.700 -0.098 0.000 2.355 159 S HA -0.044 4.427 4.470 0.001 0.000 0.222 159 S C 1.887 176.431 174.600 -0.093 0.000 1.031 159 S CA 1.260 59.421 58.200 -0.065 0.000 0.993 159 S CB -0.674 62.473 63.200 -0.089 0.000 0.859 159 S HN 0.440 nan 8.310 nan 0.000 0.453 160 V N 2.375 122.171 119.914 -0.197 0.000 2.287 160 V HA -0.193 3.927 4.120 0.001 0.000 0.248 160 V C 2.241 178.273 176.094 -0.104 0.000 1.053 160 V CA 2.021 64.190 62.300 -0.218 0.000 1.027 160 V CB -0.729 30.837 31.823 -0.428 0.000 0.646 160 V HN 0.521 nan 8.190 nan 0.000 0.447 161 I N -0.761 119.753 120.570 -0.094 0.000 2.454 161 I HA -0.213 3.957 4.170 0.001 0.000 0.254 161 I C 2.184 178.286 176.117 -0.026 0.000 1.156 161 I CA 1.255 62.522 61.300 -0.055 0.000 1.433 161 I CB -0.211 37.752 38.000 -0.063 0.000 1.082 161 I HN 0.297 nan 8.210 nan 0.000 0.432 162 M N -0.345 119.246 119.600 -0.015 0.000 2.495 162 M HA 0.201 4.682 4.480 0.001 0.000 0.237 162 M C 1.393 177.704 176.300 0.019 0.000 1.131 162 M CA 0.607 55.916 55.300 0.015 0.000 1.032 162 M CB -0.109 32.519 32.600 0.048 0.000 1.513 162 M HN 0.400 nan 8.290 nan 0.000 0.488 163 G N 0.728 109.532 108.800 0.008 0.000 2.134 163 G HA2 -0.241 3.720 3.960 0.001 0.000 0.209 163 G HA3 -0.241 3.720 3.960 0.001 0.000 0.209 163 G C 0.650 175.563 174.900 0.022 0.000 0.993 163 G CA 0.131 45.241 45.100 0.016 0.000 0.669 163 G HN 0.488 nan 8.290 nan 0.000 0.519 164 Q N -0.000 119.810 119.800 0.017 0.000 2.392 164 Q HA 0.227 4.567 4.340 0.001 0.000 0.203 164 Q C 1.477 177.495 176.000 0.032 0.000 0.917 164 Q CA 1.096 56.916 55.803 0.027 0.000 0.939 164 Q CB 0.627 29.388 28.738 0.038 0.000 1.063 164 Q HN 0.744 nan 8.270 nan 0.000 0.516 165 T N -4.020 110.554 114.554 0.034 0.000 2.858 165 T HA 0.734 5.085 4.350 0.001 0.000 0.285 165 T C 0.413 175.173 174.700 0.101 0.000 1.052 165 T CA -0.406 61.738 62.100 0.073 0.000 1.009 165 T CB 1.803 70.699 68.868 0.047 0.000 1.241 165 T HN 0.064 nan 8.240 nan 0.000 0.542 166 G N -0.381 108.510 108.800 0.151 0.000 3.039 166 G HA2 0.565 4.526 3.960 0.001 0.000 0.159 166 G HA3 0.565 4.526 3.960 0.001 0.000 0.159 166 G C -0.771 174.268 174.900 0.232 0.000 1.284 166 G CA -0.723 44.464 45.100 0.145 0.000 0.996 166 G HN 0.756 nan 8.290 nan 0.000 0.592 167 Q N -0.459 119.456 119.800 0.191 0.000 2.306 167 Q HA 0.289 4.630 4.340 0.001 0.000 0.241 167 Q C -0.921 175.214 176.000 0.224 0.000 0.948 167 Q CA -0.726 55.211 55.803 0.224 0.000 0.886 167 Q CB 1.721 30.537 28.738 0.131 0.000 1.227 167 Q HN 0.346 nan 8.270 nan 0.000 0.457 168 F N 2.548 122.478 119.950 -0.033 0.000 2.572 168 F HA -0.017 4.511 4.527 0.001 0.000 0.370 168 F C 0.532 176.221 175.800 -0.185 0.000 1.103 168 F CA 0.295 58.080 58.000 -0.359 0.000 1.286 168 F CB 0.462 39.100 39.000 -0.604 0.000 1.105 168 F HN 0.384 nan 8.300 nan 0.000 0.583 169 N N 3.789 122.066 118.700 -0.706 0.000 2.476 169 N HA 0.096 4.837 4.740 0.001 0.000 0.257 169 N C 0.518 175.631 175.510 -0.661 0.000 0.970 169 N CA 0.068 52.835 53.050 -0.471 0.000 0.938 169 N CB 1.431 39.711 38.487 -0.345 0.000 1.144 169 N HN 0.763 nan 8.380 nan 0.000 0.500 170 T N 0.252 114.630 114.554 -0.292 0.000 2.995 170 T HA -0.038 4.312 4.350 0.001 0.000 0.269 170 T C 0.938 175.549 174.700 -0.149 0.000 1.091 170 T CA 0.725 62.741 62.100 -0.140 0.000 1.128 170 T CB 0.155 69.056 68.868 0.054 0.000 0.891 170 T HN 0.278 nan 8.240 nan 0.000 0.492 171 D N 2.162 122.468 120.400 -0.156 0.000 2.095 171 D HA -0.102 4.538 4.640 0.001 0.000 0.192 171 D C 2.374 178.587 176.300 -0.146 0.000 0.990 171 D CA 1.936 55.864 54.000 -0.120 0.000 0.836 171 D CB -0.653 40.084 40.800 -0.104 0.000 0.979 171 D HN 0.475 nan 8.370 nan 0.000 0.447 172 V N -2.261 117.529 119.914 -0.208 0.000 3.380 172 V HA 0.022 4.142 4.120 0.001 0.000 0.268 172 V C 0.328 176.228 176.094 -0.323 0.000 1.168 172 V CA 0.270 62.431 62.300 -0.232 0.000 1.156 172 V CB -0.243 31.439 31.823 -0.236 0.000 0.785 172 V HN 0.115 nan 8.190 nan 0.000 0.487 173 Q N -0.137 119.397 119.800 -0.443 0.000 2.494 173 Q HA -0.200 4.140 4.340 0.001 0.000 0.272 173 Q C -0.071 175.476 176.000 -0.756 0.000 1.145 173 Q CA 1.335 56.811 55.803 -0.545 0.000 0.943 173 Q CB -1.685 26.997 28.738 -0.093 0.000 1.338 173 Q HN 0.891 nan 8.270 nan 0.000 0.492 174 K N -0.796 119.026 120.400 -0.963 0.000 2.443 174 K HA 0.580 4.901 4.320 0.001 0.000 0.251 174 K C -0.737 175.580 176.600 -0.472 0.000 0.972 174 K CA -0.734 55.157 56.287 -0.660 0.000 0.833 174 K CB 1.204 33.245 32.500 -0.766 0.000 1.317 174 K HN -0.090 nan 8.250 nan 0.000 0.441 175 Y N 0.092 120.511 120.300 0.198 0.000 2.299 175 Y HA 0.264 4.814 4.550 0.001 0.000 0.326 175 Y C 1.233 177.242 175.900 0.183 0.000 1.164 175 Y CA -0.171 58.065 58.100 0.227 0.000 1.234 175 Y CB 1.135 39.786 38.460 0.318 0.000 1.219 175 Y HN 0.697 nan 8.280 nan 0.000 0.497 176 G N 1.989 110.946 108.800 0.262 0.000 2.353 176 G HA2 0.120 4.081 3.960 0.001 0.000 0.239 176 G HA3 0.120 4.081 3.960 0.001 0.000 0.239 176 G C 0.358 175.370 174.900 0.187 0.000 1.295 176 G CA 0.213 45.418 45.100 0.174 0.000 0.884 176 G HN 0.938 nan 8.290 nan 0.000 0.537 177 N N -1.039 117.747 118.700 0.144 0.000 2.994 177 N HA -0.191 4.550 4.740 0.001 0.000 0.221 177 N C 0.023 175.597 175.510 0.107 0.000 0.900 177 N CA 0.916 54.031 53.050 0.108 0.000 1.008 177 N CB -1.466 37.073 38.487 0.087 0.000 1.053 177 N HN 0.561 nan 8.380 nan 0.000 0.580 178 I N 0.944 121.607 120.570 0.155 0.000 2.359 178 I HA 0.203 4.373 4.170 0.001 0.000 0.294 178 I C 0.404 176.611 176.117 0.150 0.000 0.987 178 I CA -0.711 60.640 61.300 0.085 0.000 1.225 178 I CB 1.317 39.291 38.000 -0.044 0.000 1.366 178 I HN -0.029 nan 8.210 nan 0.000 0.466 179 E N 5.865 126.114 120.200 0.083 0.000 2.104 179 E HA 0.134 4.484 4.350 0.001 0.000 0.278 179 E C -1.253 175.407 176.600 0.100 0.000 1.127 179 E CA -0.119 56.354 56.400 0.121 0.000 0.897 179 E CB 0.386 30.142 29.700 0.092 0.000 1.043 179 E HN 0.229 nan 8.360 nan 0.000 0.410 180 Y N 2.678 123.009 120.300 0.050 0.000 2.425 180 Y HA 0.199 4.749 4.550 0.001 0.000 0.347 180 Y C 0.812 176.718 175.900 0.009 0.000 0.976 180 Y CA -0.278 57.848 58.100 0.043 0.000 1.190 180 Y CB 0.623 39.109 38.460 0.045 0.000 1.136 180 Y HN 0.234 nan 8.280 nan 0.000 0.517 181 M N 4.843 124.505 119.600 0.103 0.000 2.151 181 M HA 0.315 4.796 4.480 0.001 0.000 0.349 181 M C 0.145 176.441 176.300 -0.006 0.000 1.284 181 M CA -0.148 55.159 55.300 0.012 0.000 1.173 181 M CB 0.632 33.207 32.600 -0.042 0.000 1.469 181 M HN 0.566 nan 8.290 nan 0.000 0.439 182 R N 1.642 122.136 120.500 -0.009 0.000 2.643 182 R HA 0.318 4.659 4.340 0.001 0.000 0.270 182 R C -1.260 174.996 176.300 -0.073 0.000 1.061 182 R CA 0.180 56.268 56.100 -0.020 0.000 1.107 182 R CB 0.643 30.932 30.300 -0.017 0.000 0.999 182 R HN 0.765 nan 8.270 nan 0.000 0.460 183 C N 3.040 122.294 119.300 -0.078 0.000 2.571 183 C HA 0.444 4.905 4.460 0.001 0.000 0.343 183 C C -0.515 174.359 174.990 -0.192 0.000 1.082 183 C CA -0.548 58.411 59.018 -0.098 0.000 1.339 183 C CB 0.812 28.526 27.740 -0.045 0.000 1.893 183 C HN 0.913 nan 8.230 nan 0.000 0.445 184 T N 0.625 114.886 114.554 -0.489 0.000 2.883 184 T HA 0.554 4.904 4.350 0.001 0.000 0.301 184 T C -2.174 171.777 174.700 -1.248 0.000 1.158 184 T CA -1.402 60.300 62.100 -0.664 0.000 1.007 184 T CB 2.027 70.720 68.868 -0.293 0.000 1.186 184 T HN 0.152 nan 8.240 nan 0.000 0.499 185 P HA -0.208 nan 4.420 nan 0.000 0.219 185 P C 1.067 178.101 177.300 -0.443 0.000 1.161 185 P CA 1.605 64.184 63.100 -0.869 0.000 0.909 185 P CB 0.051 31.443 31.700 -0.514 0.000 0.793 186 E N -0.614 119.407 120.200 -0.298 0.000 2.265 186 E HA -0.148 4.202 4.350 0.001 0.000 0.196 186 E C 1.100 177.611 176.600 -0.149 0.000 0.996 186 E CA 1.239 57.541 56.400 -0.163 0.000 0.832 186 E CB -0.843 28.794 29.700 -0.106 0.000 0.756 186 E HN 0.524 nan 8.360 nan 0.000 0.491 187 N N -1.354 117.219 118.700 -0.213 0.000 2.235 187 N HA 0.136 4.877 4.740 0.001 0.000 0.231 187 N C 0.564 176.013 175.510 -0.101 0.000 1.177 187 N CA 0.327 53.306 53.050 -0.119 0.000 0.874 187 N CB 0.417 38.858 38.487 -0.076 0.000 1.097 187 N HN 0.023 nan 8.380 nan 0.000 0.518 188 G N 0.665 109.343 108.800 -0.205 0.000 2.390 188 G HA2 -0.330 3.631 3.960 0.001 0.000 0.299 188 G HA3 -0.330 3.631 3.960 0.001 0.000 0.299 188 G C -0.008 174.949 174.900 0.095 0.000 1.002 188 G CA 0.197 45.261 45.100 -0.061 0.000 0.979 188 G HN 0.448 nan 8.290 nan 0.000 0.513 189 F N -3.445 116.490 119.950 -0.026 0.000 3.090 189 F HA -0.175 4.353 4.527 0.001 0.000 0.282 189 F C 0.553 176.394 175.800 0.069 0.000 0.923 189 F CA 1.360 59.329 58.000 -0.051 0.000 0.977 189 F CB -2.072 36.858 39.000 -0.116 0.000 0.954 189 F HN 0.607 nan 8.300 nan 0.000 0.695 190 F N 1.549 121.534 119.950 0.059 0.000 2.556 190 F HA 0.710 5.237 4.527 0.002 0.000 0.314 190 F C -2.601 173.221 175.800 0.037 0.000 1.106 190 F CA -2.950 55.115 58.000 0.109 0.000 0.911 190 F CB 1.688 40.760 39.000 0.120 0.000 1.190 190 F HN -0.332 nan 8.300 nan 0.000 0.448 191 P HA -0.011 nan 4.420 nan 0.000 0.265 191 P C -0.874 176.229 177.300 -0.329 0.000 1.193 191 P CA 0.177 63.003 63.100 -0.458 0.000 0.765 191 P CB 0.497 31.869 31.700 -0.546 0.000 0.823 192 D N 3.329 123.634 120.400 -0.159 0.000 2.398 192 D HA 0.006 4.647 4.640 0.001 0.000 0.250 192 D C 1.172 177.357 176.300 -0.191 0.000 1.287 192 D CA 0.146 54.088 54.000 -0.097 0.000 0.992 192 D CB -0.077 40.686 40.800 -0.061 0.000 1.071 192 D HN 0.269 nan 8.370 nan 0.000 0.514 193 L N 2.473 123.534 121.223 -0.269 0.000 2.349 193 L HA -0.209 4.132 4.340 0.001 0.000 0.220 193 L C 2.237 178.900 176.870 -0.345 0.000 1.130 193 L CA 1.025 55.550 54.840 -0.525 0.000 0.791 193 L CB -0.388 41.252 42.059 -0.699 0.000 0.918 193 L HN 0.349 nan 8.230 nan 0.000 0.444 194 S N -2.381 113.239 115.700 -0.134 0.000 2.527 194 S HA -0.076 4.395 4.470 0.001 0.000 0.222 194 S C 1.769 176.359 174.600 -0.016 0.000 0.985 194 S CA 0.712 58.895 58.200 -0.029 0.000 0.921 194 S CB -0.433 62.764 63.200 -0.006 0.000 0.772 194 S HN 0.542 nan 8.310 nan 0.000 0.529 195 T N -0.795 113.727 114.554 -0.054 0.000 3.086 195 T HA 0.320 4.671 4.350 0.001 0.000 0.250 195 T C 0.294 174.984 174.700 -0.018 0.000 1.074 195 T CA -0.275 61.807 62.100 -0.030 0.000 0.988 195 T CB -0.228 68.617 68.868 -0.040 0.000 0.988 195 T HN 0.137 nan 8.240 nan 0.000 0.530 196 V N 2.063 121.954 119.914 -0.038 0.000 2.407 196 V HA 0.686 4.807 4.120 0.001 0.000 0.278 196 V C 1.125 177.329 176.094 0.183 0.000 1.037 196 V CA -0.881 61.426 62.300 0.012 0.000 0.900 196 V CB 0.952 32.672 31.823 -0.173 0.000 0.983 196 V HN 0.560 nan 8.190 nan 0.000 0.459 197 G N 3.813 112.703 108.800 0.150 0.000 2.572 197 G HA2 0.340 4.301 3.960 0.001 0.000 0.261 197 G HA3 0.340 4.301 3.960 0.001 0.000 0.261 197 G C -0.055 174.932 174.900 0.144 0.000 1.197 197 G CA -0.541 44.639 45.100 0.133 0.000 0.870 197 G HN 0.662 nan 8.290 nan 0.000 0.548 198 R N -0.352 120.184 120.500 0.060 0.000 2.590 198 R HA 0.295 4.636 4.340 0.001 0.000 0.274 198 R C 0.192 176.483 176.300 -0.016 0.000 1.061 198 R CA 0.440 56.525 56.100 -0.026 0.000 1.081 198 R CB 0.269 30.519 30.300 -0.083 0.000 0.984 198 R HN 0.674 nan 8.270 nan 0.000 0.448 199 T N -0.999 113.526 114.554 -0.048 0.000 2.864 199 T HA 0.250 4.601 4.350 0.001 0.000 0.289 199 T C 0.400 175.038 174.700 -0.104 0.000 1.082 199 T CA -0.951 61.119 62.100 -0.050 0.000 1.009 199 T CB 1.629 70.484 68.868 -0.023 0.000 1.234 199 T HN 0.478 nan 8.240 nan 0.000 0.526 200 D N -0.147 120.183 120.400 -0.116 0.000 2.149 200 D HA 0.112 4.753 4.640 0.001 0.000 0.206 200 D C 0.602 176.750 176.300 -0.254 0.000 0.967 200 D CA 1.019 54.924 54.000 -0.159 0.000 0.848 200 D CB 0.240 40.955 40.800 -0.141 0.000 0.998 200 D HN 0.387 nan 8.370 nan 0.000 0.474 201 I N 1.103 121.489 120.570 -0.307 0.000 2.603 201 I HA 0.376 4.547 4.170 0.001 0.000 0.300 201 I C -0.026 175.908 176.117 -0.306 0.000 1.017 201 I CA -0.819 60.205 61.300 -0.459 0.000 1.098 201 I CB 1.911 39.458 38.000 -0.755 0.000 1.279 201 I HN -0.195 nan 8.210 nan 0.000 0.437 202 I N 4.905 125.274 120.570 -0.334 0.000 2.439 202 I HA 0.308 4.479 4.170 0.001 0.000 0.283 202 I C -0.834 175.126 176.117 -0.261 0.000 1.023 202 I CA -0.344 60.862 61.300 -0.158 0.000 1.100 202 I CB 1.256 39.255 38.000 -0.001 0.000 1.238 202 I HN 0.221 nan 8.210 nan 0.000 0.445 203 F N 6.369 126.242 119.950 -0.128 0.000 2.420 203 F HA 0.394 4.921 4.527 0.001 0.000 0.352 203 F C -0.225 175.489 175.800 -0.143 0.000 1.108 203 F CA -0.127 57.700 58.000 -0.288 0.000 1.162 203 F CB 0.665 39.236 39.000 -0.715 0.000 1.118 203 F HN 0.267 nan 8.300 nan 0.000 0.510 204 F N 4.171 124.058 119.950 -0.103 0.000 2.579 204 F HA 0.443 4.971 4.527 0.001 0.000 0.325 204 F C -1.085 174.640 175.800 -0.124 0.000 1.162 204 F CA -1.135 56.838 58.000 -0.045 0.000 0.946 204 F CB 1.029 40.065 39.000 0.060 0.000 1.211 204 F HN 0.467 nan 8.300 nan 0.000 0.447 205 C N 5.381 124.433 119.300 -0.415 0.000 2.281 205 C HA 0.826 5.287 4.460 0.001 0.000 0.323 205 C C -0.637 174.133 174.990 -0.368 0.000 1.270 205 C CA -0.130 58.699 59.018 -0.314 0.000 1.559 205 C CB -0.386 27.273 27.740 -0.134 0.000 2.239 205 C HN 0.810 nan 8.230 nan 0.000 0.488 206 S N 6.759 122.296 115.700 -0.271 0.000 2.547 206 S HA 0.695 5.166 4.470 0.001 0.000 0.281 206 S C -3.027 171.572 174.600 -0.001 0.000 1.118 206 S CA -0.903 57.267 58.200 -0.050 0.000 0.947 206 S CB 1.798 65.158 63.200 0.267 0.000 1.053 206 S HN 0.636 nan 8.310 nan 0.000 0.482 207 P HA 0.125 nan 4.420 nan 0.000 0.264 207 P C -0.637 176.642 177.300 -0.035 0.000 1.193 207 P CA 0.161 63.286 63.100 0.041 0.000 0.763 207 P CB 0.093 31.844 31.700 0.084 0.000 0.810 208 N N 2.926 121.524 118.700 -0.170 0.000 2.503 208 N HA 0.106 4.847 4.740 0.001 0.000 0.267 208 N C -0.279 174.993 175.510 -0.398 0.000 1.214 208 N CA -0.270 52.607 53.050 -0.287 0.000 0.959 208 N CB 0.277 38.534 38.487 -0.383 0.000 1.142 208 N HN 0.229 nan 8.380 nan 0.000 0.455 209 N N 1.968 120.413 118.700 -0.425 0.000 2.442 209 N HA 0.399 5.140 4.740 0.001 0.000 0.274 209 N C -2.328 172.729 175.510 -0.755 0.000 1.002 209 N CA -2.199 50.464 53.050 -0.646 0.000 0.910 209 N CB 1.915 40.158 38.487 -0.407 0.000 1.244 209 N HN 0.403 nan 8.380 nan 0.000 0.492 210 P HA 0.057 nan 4.420 nan 0.000 0.245 210 P C 0.860 177.377 177.300 -1.306 0.000 1.203 210 P CA 0.547 62.745 63.100 -1.503 0.000 0.792 210 P CB 0.228 30.666 31.700 -2.104 0.000 0.997 211 T N -4.148 109.597 114.554 -1.350 0.000 2.985 211 T HA 0.161 4.512 4.350 0.001 0.000 0.266 211 T C 1.739 176.001 174.700 -0.730 0.000 1.076 211 T CA 1.313 62.585 62.100 -1.379 0.000 1.135 211 T CB -1.191 66.815 68.868 -1.437 0.000 0.890 211 T HN 0.200 nan 8.240 nan 0.000 0.480 212 G N 1.315 109.793 108.800 -0.537 0.000 2.179 212 G HA2 -0.068 3.892 3.960 0.001 0.000 0.260 212 G HA3 -0.068 3.892 3.960 0.001 0.000 0.260 212 G C 0.283 175.022 174.900 -0.268 0.000 0.977 212 G CA 0.038 44.945 45.100 -0.322 0.000 0.641 212 G HN 1.277 nan 8.290 nan 0.000 0.533 213 A N 0.066 122.677 122.820 -0.348 0.000 2.409 213 A HA 0.826 5.147 4.320 0.001 0.000 0.262 213 A C 0.604 178.153 177.584 -0.059 0.000 1.113 213 A CA 0.983 52.898 52.037 -0.202 0.000 0.790 213 A CB 0.743 19.611 19.000 -0.220 0.000 1.046 213 A HN 2.058 nan 8.150 nan 0.000 0.496 214 A N 2.423 125.261 122.820 0.032 0.000 2.304 214 A HA 0.702 5.022 4.320 0.001 0.000 0.314 214 A C 0.480 178.158 177.584 0.156 0.000 1.187 214 A CA 0.029 52.127 52.037 0.103 0.000 0.810 214 A CB 0.511 19.565 19.000 0.090 0.000 1.183 214 A HN 2.106 nan 8.150 nan 0.000 0.487 215 A N 2.513 125.489 122.820 0.261 0.000 2.498 215 A HA 0.498 4.819 4.320 0.001 0.000 0.239 215 A C 0.881 178.510 177.584 0.076 0.000 1.068 215 A CA 0.451 52.620 52.037 0.220 0.000 0.766 215 A CB -0.225 19.005 19.000 0.382 0.000 1.003 215 A HN 0.826 nan 8.150 nan 0.000 0.497 216 T N 0.470 114.996 114.554 -0.046 0.000 2.788 216 T HA 0.160 4.511 4.350 0.001 0.000 0.287 216 T C 1.762 176.408 174.700 -0.089 0.000 1.007 216 T CA -0.164 61.896 62.100 -0.066 0.000 1.005 216 T CB 0.542 69.342 68.868 -0.113 0.000 1.012 216 T HN 0.716 nan 8.240 nan 0.000 0.530 217 R N 0.480 120.941 120.500 -0.064 0.000 2.120 217 R HA -0.100 4.241 4.340 0.001 0.000 0.234 217 R C 1.880 178.118 176.300 -0.104 0.000 1.123 217 R CA 1.447 57.506 56.100 -0.068 0.000 0.975 217 R CB -0.011 30.266 30.300 -0.039 0.000 0.866 217 R HN 0.475 nan 8.270 nan 0.000 0.446 218 E N 0.509 120.635 120.200 -0.124 0.000 2.122 218 E HA -0.105 4.246 4.350 0.001 0.000 0.190 218 E C 1.772 178.233 176.600 -0.230 0.000 0.977 218 E CA 1.225 57.542 56.400 -0.139 0.000 0.820 218 E CB 0.106 29.742 29.700 -0.106 0.000 0.770 218 E HN 0.386 nan 8.360 nan 0.000 0.462 219 Q N -0.442 119.126 119.800 -0.388 0.000 2.084 219 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 219 Q C 1.793 177.476 176.000 -0.528 0.000 0.978 219 Q CA 1.070 56.385 55.803 -0.813 0.000 0.844 219 Q CB -0.069 27.816 28.738 -1.423 0.000 0.898 219 Q HN 0.207 nan 8.270 nan 0.000 0.426 220 L N 0.154 121.196 121.223 -0.302 0.000 2.141 220 L HA -0.125 4.216 4.340 0.001 0.000 0.209 220 L C 2.170 178.952 176.870 -0.145 0.000 1.094 220 L CA 1.765 56.488 54.840 -0.195 0.000 0.763 220 L CB -1.030 40.934 42.059 -0.159 0.000 0.908 220 L HN 0.227 nan 8.230 nan 0.000 0.437 221 T N -1.307 113.172 114.554 -0.125 0.000 2.737 221 T HA -0.198 4.153 4.350 0.001 0.000 0.265 221 T C 1.840 176.515 174.700 -0.042 0.000 1.038 221 T CA 1.107 63.161 62.100 -0.078 0.000 1.144 221 T CB -0.081 68.747 68.868 -0.068 0.000 0.866 221 T HN 0.374 nan 8.240 nan 0.000 0.434 222 Q N 0.228 119.998 119.800 -0.050 0.000 2.077 222 Q HA -0.135 4.206 4.340 0.001 0.000 0.206 222 Q C 2.382 178.441 176.000 0.098 0.000 0.989 222 Q CA 1.329 57.147 55.803 0.025 0.000 0.853 222 Q CB -0.436 28.320 28.738 0.030 0.000 0.907 222 Q HN 0.320 nan 8.270 nan 0.000 0.418 223 L N 0.191 121.472 121.223 0.097 0.000 2.012 223 L HA -0.169 4.171 4.340 0.001 0.000 0.210 223 L C 2.199 179.116 176.870 0.078 0.000 1.073 223 L CA 1.469 56.363 54.840 0.090 0.000 0.748 223 L CB -0.545 41.467 42.059 -0.079 0.000 0.891 223 L HN -0.006 nan 8.230 nan 0.000 0.431 224 V N -0.113 119.793 119.914 -0.014 0.000 2.392 224 V HA -0.305 3.816 4.120 0.001 0.000 0.249 224 V C 2.492 178.590 176.094 0.006 0.000 1.059 224 V CA 2.152 64.434 62.300 -0.031 0.000 1.051 224 V CB -0.664 31.117 31.823 -0.069 0.000 0.658 224 V HN 0.541 nan 8.190 nan 0.000 0.455 225 E N -0.796 119.428 120.200 0.039 0.000 2.107 225 E HA -0.197 4.154 4.350 0.001 0.000 0.191 225 E C 2.038 178.690 176.600 0.086 0.000 0.982 225 E CA 1.356 57.784 56.400 0.045 0.000 0.809 225 E CB -0.214 29.513 29.700 0.045 0.000 0.756 225 E HN 0.645 nan 8.360 nan 0.000 0.459 226 F N 1.989 121.921 119.950 -0.030 0.000 2.075 226 F HA -0.166 4.361 4.527 0.001 0.000 0.297 226 F C 2.324 178.097 175.800 -0.045 0.000 1.113 226 F CA 1.539 59.522 58.000 -0.030 0.000 1.218 226 F CB -0.469 38.518 39.000 -0.021 0.000 0.984 226 F HN -0.055 nan 8.300 nan 0.000 0.472 227 A N 0.260 123.013 122.820 -0.112 0.000 1.927 227 A HA -0.324 3.997 4.320 0.001 0.000 0.220 227 A C 2.286 179.759 177.584 -0.185 0.000 1.185 227 A CA 2.275 54.186 52.037 -0.210 0.000 0.639 227 A CB -1.034 17.902 19.000 -0.106 0.000 0.820 227 A HN 0.533 nan 8.150 nan 0.000 0.451 228 K N 0.130 120.465 120.400 -0.108 0.000 2.026 228 K HA -0.231 4.090 4.320 0.001 0.000 0.208 228 K C 2.137 178.676 176.600 -0.101 0.000 1.048 228 K CA 2.033 58.269 56.287 -0.084 0.000 0.929 228 K CB -0.165 32.307 32.500 -0.045 0.000 0.713 228 K HN 0.673 nan 8.250 nan 0.000 0.439 229 K N -0.499 119.834 120.400 -0.112 0.000 2.103 229 K HA -0.016 4.304 4.320 0.001 0.000 0.204 229 K C 1.525 178.026 176.600 -0.165 0.000 1.052 229 K CA 1.569 57.792 56.287 -0.107 0.000 0.945 229 K CB -0.120 32.341 32.500 -0.066 0.000 0.722 229 K HN -0.022 nan 8.250 nan 0.000 0.443 230 N N 0.828 119.348 118.700 -0.300 0.000 2.512 230 N HA 0.009 4.749 4.740 0.001 0.000 0.183 230 N C 0.602 175.983 175.510 -0.215 0.000 1.073 230 N CA 1.182 54.040 53.050 -0.321 0.000 0.911 230 N CB 0.172 38.306 38.487 -0.588 0.000 0.964 230 N HN 0.578 nan 8.380 nan 0.000 0.447 231 G N -0.016 108.681 108.800 -0.171 0.000 2.273 231 G HA2 -0.274 3.687 3.960 0.001 0.000 0.280 231 G HA3 -0.274 3.687 3.960 0.001 0.000 0.280 231 G C -0.175 174.649 174.900 -0.128 0.000 1.047 231 G CA 0.557 45.586 45.100 -0.118 0.000 0.869 231 G HN 0.330 nan 8.290 nan 0.000 0.502 232 S N -0.954 114.639 115.700 -0.178 0.000 2.687 232 S HA 0.726 5.197 4.470 0.001 0.000 0.283 232 S C 0.514 175.019 174.600 -0.159 0.000 1.170 232 S CA -0.585 57.507 58.200 -0.180 0.000 1.008 232 S CB 1.665 64.732 63.200 -0.223 0.000 1.026 232 S HN 0.362 nan 8.310 nan 0.000 0.541 233 I N 1.824 122.280 120.570 -0.189 0.000 2.321 233 I HA 0.318 4.488 4.170 0.001 0.000 0.291 233 I C -0.677 175.308 176.117 -0.220 0.000 0.998 233 I CA -0.387 60.802 61.300 -0.185 0.000 1.227 233 I CB 0.758 38.649 38.000 -0.182 0.000 1.368 233 I HN 0.433 nan 8.210 nan 0.000 0.466 234 I N 7.014 127.488 120.570 -0.160 0.000 2.416 234 I HA 0.131 4.302 4.170 0.001 0.000 0.288 234 I C -0.139 175.889 176.117 -0.149 0.000 1.051 234 I CA -0.386 60.825 61.300 -0.148 0.000 1.375 234 I CB 1.037 38.981 38.000 -0.092 0.000 1.407 234 I HN 0.212 nan 8.210 nan 0.000 0.516 235 V N 7.687 127.461 119.914 -0.233 0.000 2.304 235 V HA 0.135 4.256 4.120 0.001 0.000 0.269 235 V C -0.497 175.599 176.094 0.004 0.000 1.036 235 V CA -0.600 61.602 62.300 -0.164 0.000 0.840 235 V CB 0.351 31.955 31.823 -0.366 0.000 1.036 235 V HN 0.443 nan 8.190 nan 0.000 0.466 236 Y N 3.804 124.062 120.300 -0.068 0.000 2.327 236 Y HA 0.433 4.984 4.550 0.001 0.000 0.336 236 Y C 0.209 176.126 175.900 0.029 0.000 1.035 236 Y CA -0.585 57.518 58.100 0.005 0.000 1.165 236 Y CB 1.127 39.546 38.460 -0.068 0.000 1.181 236 Y HN 0.607 nan 8.280 nan 0.000 0.494 237 D N 3.844 124.049 120.400 -0.326 0.000 2.454 237 D HA 0.104 4.745 4.640 0.001 0.000 0.225 237 D C -0.031 176.029 176.300 -0.401 0.000 1.081 237 D CA -0.074 53.783 54.000 -0.238 0.000 0.864 237 D CB 0.853 41.627 40.800 -0.043 0.000 1.040 237 D HN 0.628 nan 8.370 nan 0.000 0.517 238 S N 1.891 117.431 115.700 -0.268 0.000 2.622 238 S HA 0.221 4.692 4.470 0.001 0.000 0.236 238 S C 1.781 176.289 174.600 -0.153 0.000 0.956 238 S CA 0.043 58.156 58.200 -0.145 0.000 0.971 238 S CB 0.524 63.796 63.200 0.119 0.000 0.782 238 S HN 0.370 nan 8.310 nan 0.000 0.468 239 A N 1.171 123.799 122.820 -0.320 0.000 1.997 239 A HA -0.130 4.190 4.320 0.001 0.000 0.221 239 A C 1.397 178.683 177.584 -0.497 0.000 1.172 239 A CA 1.459 53.177 52.037 -0.532 0.000 0.645 239 A CB -0.900 17.653 19.000 -0.744 0.000 0.813 239 A HN 0.699 nan 8.150 nan 0.000 0.454 240 Y N -1.215 119.131 120.300 0.076 0.000 2.524 240 Y HA 0.464 5.015 4.550 0.001 0.000 0.266 240 Y C 2.225 178.299 175.900 0.290 0.000 1.180 240 Y CA -0.393 57.834 58.100 0.212 0.000 1.244 240 Y CB -0.461 38.018 38.460 0.032 0.000 1.125 240 Y HN 0.302 nan 8.280 nan 0.000 0.524 241 A N 0.059 123.051 122.820 0.286 0.000 1.972 241 A HA -0.174 4.147 4.320 0.001 0.000 0.219 241 A C 2.047 179.717 177.584 0.143 0.000 1.169 241 A CA 1.418 53.576 52.037 0.201 0.000 0.635 241 A CB -0.335 18.762 19.000 0.162 0.000 0.810 241 A HN 0.248 nan 8.150 nan 0.000 0.446 242 M N -1.561 118.074 119.600 0.058 0.000 2.557 242 M HA 0.000 4.481 4.480 0.001 0.000 0.259 242 M C 1.054 177.257 176.300 -0.161 0.000 1.086 242 M CA 0.756 55.946 55.300 -0.184 0.000 1.096 242 M CB -1.228 30.984 32.600 -0.648 0.000 1.424 242 M HN 0.572 nan 8.290 nan 0.000 0.488 243 Y N -0.871 119.471 120.300 0.071 0.000 2.546 243 Y HA 0.126 4.676 4.550 0.001 0.000 0.287 243 Y C 1.047 176.965 175.900 0.030 0.000 1.158 243 Y CA -0.426 57.706 58.100 0.053 0.000 1.307 243 Y CB -0.397 38.103 38.460 0.066 0.000 1.036 243 Y HN 0.097 nan 8.280 nan 0.000 0.532 244 M N -0.338 119.353 119.600 0.152 0.000 2.261 244 M HA -0.097 4.384 4.480 0.001 0.000 0.350 244 M C 1.104 177.445 176.300 0.067 0.000 1.343 244 M CA 0.782 56.146 55.300 0.106 0.000 1.003 244 M CB 0.569 33.229 32.600 0.099 0.000 1.848 244 M HN 0.024 nan 8.290 nan 0.000 0.456 245 S N 1.338 117.074 115.700 0.060 0.000 2.691 245 S HA 0.154 4.625 4.470 0.001 0.000 0.241 245 S C -0.111 174.515 174.600 0.043 0.000 1.077 245 S CA -0.271 57.955 58.200 0.044 0.000 0.900 245 S CB 0.262 63.485 63.200 0.038 0.000 0.805 245 S HN 0.751 nan 8.310 nan 0.000 0.529 246 D N 2.478 122.905 120.400 0.045 0.000 2.362 246 D HA 0.090 4.731 4.640 0.001 0.000 0.238 246 D C -0.257 176.069 176.300 0.043 0.000 1.212 246 D CA 0.261 54.285 54.000 0.041 0.000 0.902 246 D CB 0.271 41.097 40.800 0.043 0.000 1.180 246 D HN 0.120 nan 8.370 nan 0.000 0.445 247 D N 0.825 121.246 120.400 0.035 0.000 2.517 247 D HA 0.080 4.721 4.640 0.001 0.000 0.220 247 D C -0.970 175.350 176.300 0.034 0.000 1.158 247 D CA -0.199 53.821 54.000 0.033 0.000 0.992 247 D CB -0.845 39.970 40.800 0.025 0.000 1.058 247 D HN 0.208 nan 8.370 nan 0.000 0.516 248 N N 2.443 121.171 118.700 0.048 0.000 2.265 248 N HA 0.447 5.188 4.740 0.001 0.000 0.300 248 N C -2.630 172.921 175.510 0.068 0.000 1.148 248 N CA -1.941 51.141 53.050 0.053 0.000 0.772 248 N CB 1.864 40.394 38.487 0.071 0.000 1.434 248 N HN 0.106 nan 8.380 nan 0.000 0.481 249 P HA 0.076 nan 4.420 nan 0.000 0.265 249 P C -0.165 177.215 177.300 0.133 0.000 1.193 249 P CA 0.188 63.331 63.100 0.072 0.000 0.765 249 P CB 0.754 32.470 31.700 0.025 0.000 0.823 250 R N 0.502 121.089 120.500 0.145 0.000 2.280 250 R HA 0.163 4.504 4.340 0.001 0.000 0.195 250 R C 0.642 177.114 176.300 0.286 0.000 0.935 250 R CA 0.427 56.648 56.100 0.201 0.000 1.033 250 R CB 0.339 30.731 30.300 0.154 0.000 0.964 250 R HN 0.418 nan 8.270 nan 0.000 0.489 251 S N -0.500 115.328 115.700 0.214 0.000 2.541 251 S HA 0.203 4.674 4.470 0.001 0.000 0.280 251 S C 0.382 174.872 174.600 -0.184 0.000 1.112 251 S CA -0.739 57.582 58.200 0.201 0.000 0.925 251 S CB 1.560 65.019 63.200 0.431 0.000 1.067 251 S HN 0.072 nan 8.310 nan 0.000 0.479 252 I N 3.588 123.744 120.570 -0.689 0.000 2.614 252 I HA 0.121 4.292 4.170 0.001 0.000 0.258 252 I C 0.866 176.677 176.117 -0.509 0.000 1.189 252 I CA 1.341 62.089 61.300 -0.920 0.000 1.462 252 I CB -0.417 36.828 38.000 -1.259 0.000 1.092 252 I HN 0.723 nan 8.210 nan 0.000 0.442 253 F N 0.760 120.672 119.950 -0.062 0.000 2.748 253 F HA 0.029 4.556 4.527 0.001 0.000 0.299 253 F C 2.156 177.960 175.800 0.006 0.000 1.154 253 F CA 0.515 58.511 58.000 -0.007 0.000 1.446 253 F CB -0.790 38.245 39.000 0.058 0.000 1.112 253 F HN 0.194 nan 8.300 nan 0.000 0.584 254 E N 0.110 120.376 120.200 0.111 0.000 2.347 254 E HA -0.066 4.285 4.350 0.001 0.000 0.196 254 E C 0.359 176.966 176.600 0.013 0.000 1.008 254 E CA 0.394 56.832 56.400 0.064 0.000 0.852 254 E CB 0.146 29.873 29.700 0.045 0.000 0.783 254 E HN 0.185 nan 8.360 nan 0.000 0.505 255 I N 2.921 123.472 120.570 -0.031 0.000 2.301 255 I HA 0.183 4.354 4.170 0.001 0.000 0.292 255 I C -2.326 173.784 176.117 -0.011 0.000 1.046 255 I CA -2.985 58.286 61.300 -0.047 0.000 1.282 255 I CB -0.013 37.924 38.000 -0.106 0.000 1.409 255 I HN -0.326 nan 8.210 nan 0.000 0.484 256 P HA 0.127 nan 4.420 nan 0.000 0.262 256 P C 1.023 178.325 177.300 0.003 0.000 1.182 256 P CA 0.800 63.907 63.100 0.011 0.000 0.761 256 P CB 0.657 32.359 31.700 0.004 0.000 0.795 257 G N 2.746 111.554 108.800 0.014 0.000 2.268 257 G HA2 -0.348 3.613 3.960 0.001 0.000 0.240 257 G HA3 -0.348 3.613 3.960 0.001 0.000 0.240 257 G C 1.268 176.172 174.900 0.007 0.000 1.010 257 G CA 0.531 45.633 45.100 0.005 0.000 0.618 257 G HN 0.663 nan 8.290 nan 0.000 0.516 258 A N 1.314 124.139 122.820 0.008 0.000 1.948 258 A HA -0.032 4.288 4.320 0.001 0.000 0.220 258 A C 2.117 179.763 177.584 0.103 0.000 1.177 258 A CA 2.435 54.465 52.037 -0.010 0.000 0.636 258 A CB -0.485 18.456 19.000 -0.099 0.000 0.815 258 A HN 1.116 nan 8.150 nan 0.000 0.449 259 E N 0.656 120.969 120.200 0.189 0.000 2.396 259 E HA -0.224 4.127 4.350 0.001 0.000 0.200 259 E C 1.047 177.688 176.600 0.070 0.000 1.023 259 E CA 1.511 58.016 56.400 0.174 0.000 0.857 259 E CB -0.449 29.297 29.700 0.076 0.000 0.775 259 E HN 0.814 nan 8.360 nan 0.000 0.525 260 E N 0.422 120.640 120.200 0.031 0.000 2.447 260 E HA 0.021 4.372 4.350 0.001 0.000 0.195 260 E C 1.608 178.193 176.600 -0.025 0.000 1.028 260 E CA 0.796 57.194 56.400 -0.004 0.000 0.876 260 E CB 0.832 30.525 29.700 -0.012 0.000 0.885 260 E HN 0.317 nan 8.360 nan 0.000 0.500 261 V N -3.936 115.962 119.914 -0.025 0.000 3.432 261 V HA 0.565 4.686 4.120 0.001 0.000 0.290 261 V C 0.115 176.168 176.094 -0.069 0.000 1.591 261 V CA -0.174 62.091 62.300 -0.059 0.000 1.069 261 V CB 0.630 32.410 31.823 -0.072 0.000 0.892 261 V HN 0.046 nan 8.190 nan 0.000 0.436 262 A N 2.192 124.990 122.820 -0.037 0.000 2.435 262 A HA 0.978 5.299 4.320 0.001 0.000 0.304 262 A C -0.638 176.961 177.584 0.024 0.000 1.064 262 A CA -0.579 51.408 52.037 -0.083 0.000 0.727 262 A CB 1.954 20.810 19.000 -0.241 0.000 1.284 262 A HN 0.762 nan 8.150 nan 0.000 0.415 263 M N 0.340 119.934 119.600 -0.011 0.000 2.761 263 M HA 0.879 5.360 4.480 0.001 0.000 0.305 263 M C -0.635 175.685 176.300 0.034 0.000 1.235 263 M CA -0.516 54.839 55.300 0.091 0.000 0.850 263 M CB 2.042 34.628 32.600 -0.023 0.000 1.744 263 M HN 0.687 nan 8.290 nan 0.000 0.480 264 E N 0.265 120.549 120.200 0.140 0.000 2.314 264 E HA 0.496 4.847 4.350 0.001 0.000 0.272 264 E C -1.833 174.832 176.600 0.108 0.000 0.884 264 E CA -0.562 55.936 56.400 0.164 0.000 0.753 264 E CB 2.660 32.531 29.700 0.285 0.000 1.213 264 E HN 0.815 nan 8.360 nan 0.000 0.432 265 T N 1.916 116.485 114.554 0.024 0.000 2.841 265 T HA 0.790 5.141 4.350 0.001 0.000 0.285 265 T C -1.333 173.191 174.700 -0.295 0.000 0.991 265 T CA -0.115 61.918 62.100 -0.112 0.000 0.966 265 T CB 1.107 69.951 68.868 -0.042 0.000 0.962 265 T HN 0.566 nan 8.240 nan 0.000 0.438 266 A N 3.084 125.497 122.820 -0.679 0.000 2.530 266 A HA 0.929 5.250 4.320 0.001 0.000 0.288 266 A C -0.683 176.216 177.584 -1.142 0.000 1.172 266 A CA -0.791 50.641 52.037 -1.009 0.000 0.733 266 A CB 1.968 20.110 19.000 -1.429 0.000 1.320 266 A HN 0.795 nan 8.150 nan 0.000 0.419 267 S N -1.310 113.738 115.700 -1.085 0.000 2.548 267 S HA 0.578 5.048 4.470 0.001 0.000 0.276 267 S C -0.773 173.298 174.600 -0.881 0.000 1.129 267 S CA -0.431 57.317 58.200 -0.754 0.000 0.931 267 S CB 0.519 63.414 63.200 -0.510 0.000 1.068 267 S HN 0.541 nan 8.310 nan 0.000 0.480 268 F N 2.288 121.991 119.950 -0.411 0.000 2.802 268 F HA 0.112 4.639 4.527 0.001 0.000 0.300 268 F C 2.362 177.929 175.800 -0.388 0.000 1.168 268 F CA 0.362 58.093 58.000 -0.447 0.000 1.433 268 F CB 0.091 38.916 39.000 -0.291 0.000 1.115 268 F HN 0.510 nan 8.300 nan 0.000 0.582 269 S N -0.320 115.297 115.700 -0.138 0.000 2.399 269 S HA -0.121 4.350 4.470 0.001 0.000 0.231 269 S C 1.987 176.550 174.600 -0.060 0.000 1.022 269 S CA 1.084 59.276 58.200 -0.015 0.000 0.983 269 S CB -0.045 63.120 63.200 -0.058 0.000 0.803 269 S HN 0.215 nan 8.310 nan 0.000 0.480 270 K N 0.019 120.304 120.400 -0.192 0.000 2.367 270 K HA 0.181 4.501 4.320 0.001 0.000 0.194 270 K C 0.796 177.672 176.600 0.460 0.000 1.027 270 K CA 0.343 56.690 56.287 0.100 0.000 1.075 270 K CB 0.035 32.628 32.500 0.155 0.000 0.845 270 K HN 0.453 nan 8.250 nan 0.000 0.529 271 Y N -0.126 120.308 120.300 0.223 0.000 2.314 271 Y HA 0.266 4.817 4.550 0.002 0.000 0.294 271 Y C 2.069 178.100 175.900 0.217 0.000 1.139 271 Y CA -0.059 58.165 58.100 0.207 0.000 1.162 271 Y CB -0.818 37.735 38.460 0.155 0.000 1.121 271 Y HN -0.065 nan 8.280 nan 0.000 0.529 272 A N -0.384 122.620 122.820 0.305 0.000 2.308 272 A HA 0.505 4.826 4.320 0.001 0.000 0.217 272 A C 1.784 179.569 177.584 0.336 0.000 1.216 272 A CA 0.567 52.736 52.037 0.220 0.000 0.864 272 A CB -0.829 18.107 19.000 -0.107 0.000 0.902 272 A HN 0.660 nan 8.150 nan 0.000 0.499 273 G N -1.301 107.689 108.800 0.317 0.000 2.160 273 G HA2 -0.250 3.710 3.960 0.001 0.000 0.244 273 G HA3 -0.250 3.710 3.960 0.001 0.000 0.244 273 G C 0.207 175.314 174.900 0.345 0.000 1.022 273 G CA 0.235 45.503 45.100 0.281 0.000 0.741 273 G HN 0.302 nan 8.290 nan 0.000 0.508 274 F N 1.875 121.866 119.950 0.069 0.000 2.788 274 F HA 0.039 4.567 4.527 0.001 0.000 0.300 274 F C 2.721 178.529 175.800 0.015 0.000 1.229 274 F CA 1.182 59.211 58.000 0.049 0.000 1.446 274 F CB -0.762 38.288 39.000 0.084 0.000 1.118 274 F HN 0.387 nan 8.300 nan 0.000 0.579 275 T N -3.308 111.325 114.554 0.131 0.000 2.737 275 T HA -0.172 4.179 4.350 0.001 0.000 0.269 275 T C 2.337 177.046 174.700 0.015 0.000 1.040 275 T CA 1.473 63.593 62.100 0.034 0.000 1.142 275 T CB -0.765 68.081 68.868 -0.038 0.000 0.861 275 T HN 0.332 nan 8.240 nan 0.000 0.456 276 G N -0.097 108.702 108.800 -0.002 0.000 2.887 276 G HA2 0.260 4.221 3.960 0.001 0.000 0.211 276 G HA3 0.260 4.221 3.960 0.001 0.000 0.211 276 G C 1.433 176.293 174.900 -0.067 0.000 1.152 276 G CA 0.315 45.399 45.100 -0.025 0.000 0.769 276 G HN 0.484 nan 8.290 nan 0.000 0.541 277 V N 0.192 120.027 119.914 -0.131 0.000 2.500 277 V HA 0.169 4.290 4.120 0.001 0.000 0.243 277 V C 0.870 176.872 176.094 -0.154 0.000 1.039 277 V CA 0.406 62.536 62.300 -0.283 0.000 1.053 277 V CB -0.456 30.891 31.823 -0.793 0.000 0.695 277 V HN 0.471 nan 8.190 nan 0.000 0.463 278 R N -0.408 120.096 120.500 0.006 0.000 2.154 278 R HA -0.066 4.275 4.340 0.001 0.000 0.366 278 R C -1.235 175.201 176.300 0.227 0.000 1.051 278 R CA 0.198 56.368 56.100 0.117 0.000 0.678 278 R CB -1.882 28.463 30.300 0.075 0.000 2.221 278 R HN 0.438 nan 8.270 nan 0.000 0.470 279 L N 0.634 122.084 121.223 0.378 0.000 2.516 279 L HA 0.789 5.130 4.340 0.001 0.000 0.267 279 L C 0.155 177.302 176.870 0.463 0.000 0.957 279 L CA -0.060 55.054 54.840 0.458 0.000 0.860 279 L CB 2.131 44.526 42.059 0.559 0.000 1.265 279 L HN 0.639 nan 8.230 nan 0.000 0.403 280 G N 2.152 111.179 108.800 0.379 0.000 3.022 280 G HA2 0.749 4.710 3.960 0.001 0.000 0.284 280 G HA3 0.749 4.710 3.960 0.001 0.000 0.284 280 G C -2.270 172.875 174.900 0.408 0.000 1.375 280 G CA -0.283 44.943 45.100 0.210 0.000 0.902 280 G HN 0.837 nan 8.290 nan 0.000 0.538 281 W N -2.102 119.282 121.300 0.140 0.000 3.059 281 W HA 0.706 5.366 4.660 0.001 0.000 0.329 281 W C -1.265 175.352 176.519 0.163 0.000 1.246 281 W CA -0.933 56.531 57.345 0.198 0.000 1.190 281 W CB 1.328 30.927 29.460 0.232 0.000 1.423 281 W HN 0.768 nan 8.180 nan 0.000 0.571 282 T N 1.301 116.109 114.554 0.423 0.000 2.921 282 T HA 0.601 4.952 4.350 0.001 0.000 0.297 282 T C -1.996 172.928 174.700 0.374 0.000 1.013 282 T CA -0.459 61.772 62.100 0.219 0.000 0.990 282 T CB 1.156 70.001 68.868 -0.038 0.000 1.023 282 T HN 0.633 nan 8.240 nan 0.000 0.447 283 V N 6.970 127.051 119.914 0.278 0.000 2.370 283 V HA 0.544 4.665 4.120 0.001 0.000 0.283 283 V C -0.160 176.016 176.094 0.136 0.000 1.023 283 V CA -0.687 61.733 62.300 0.199 0.000 0.857 283 V CB 1.136 32.950 31.823 -0.015 0.000 0.985 283 V HN 0.783 nan 8.190 nan 0.000 0.443 284 I N 7.722 128.363 120.570 0.119 0.000 2.382 284 I HA 0.396 4.567 4.170 0.001 0.000 0.285 284 I C -2.261 173.865 176.117 0.016 0.000 1.007 284 I CA -1.959 59.368 61.300 0.046 0.000 1.142 284 I CB 2.320 40.272 38.000 -0.079 0.000 1.289 284 I HN 0.412 nan 8.210 nan 0.000 0.453 285 P HA 0.150 nan 4.420 nan 0.000 0.272 285 P C 0.117 177.385 177.300 -0.053 0.000 1.230 285 P CA -0.364 62.665 63.100 -0.117 0.000 0.788 285 P CB 1.380 33.013 31.700 -0.110 0.000 0.949 286 K N 0.849 121.210 120.400 -0.063 0.000 2.103 286 K HA -0.139 4.182 4.320 0.001 0.000 0.207 286 K C 1.671 178.239 176.600 -0.054 0.000 1.048 286 K CA 1.643 57.899 56.287 -0.052 0.000 0.930 286 K CB -0.136 32.332 32.500 -0.054 0.000 0.716 286 K HN 0.427 nan 8.250 nan 0.000 0.444 287 K N 0.543 120.916 120.400 -0.046 0.000 2.487 287 K HA 0.007 4.328 4.320 0.001 0.000 0.192 287 K C -0.110 176.466 176.600 -0.041 0.000 1.027 287 K CA -0.121 56.143 56.287 -0.038 0.000 1.054 287 K CB 0.163 32.648 32.500 -0.024 0.000 0.824 287 K HN -0.031 nan 8.250 nan 0.000 0.510 288 L N 2.343 123.536 121.223 -0.050 0.000 2.407 288 L HA 0.203 4.544 4.340 0.001 0.000 0.282 288 L C -0.847 175.947 176.870 -0.126 0.000 1.110 288 L CA 0.300 55.095 54.840 -0.076 0.000 0.863 288 L CB -0.063 41.953 42.059 -0.071 0.000 1.207 288 L HN -0.031 nan 8.230 nan 0.000 0.454 289 L N 4.516 125.674 121.223 -0.108 0.000 2.323 289 L HA 0.491 4.832 4.340 0.001 0.000 0.265 289 L C -0.700 176.134 176.870 -0.061 0.000 1.012 289 L CA -1.062 53.729 54.840 -0.081 0.000 0.820 289 L CB 1.387 43.443 42.059 -0.006 0.000 1.334 289 L HN 0.296 nan 8.230 nan 0.000 0.427 290 Y N -0.252 120.114 120.300 0.110 0.000 2.295 290 Y HA 0.024 4.575 4.550 0.002 0.000 0.331 290 Y C 1.745 177.691 175.900 0.075 0.000 1.311 290 Y CA 0.052 58.216 58.100 0.108 0.000 1.430 290 Y CB 1.083 39.642 38.460 0.165 0.000 1.339 290 Y HN 0.706 nan 8.280 nan 0.000 0.552 291 S N -0.748 115.103 115.700 0.250 0.000 2.465 291 S HA -0.179 4.292 4.470 0.001 0.000 0.241 291 S C 0.853 175.522 174.600 0.114 0.000 1.000 291 S CA 1.420 59.697 58.200 0.127 0.000 0.964 291 S CB -0.471 62.778 63.200 0.082 0.000 0.763 291 S HN 0.777 nan 8.310 nan 0.000 0.512 292 D N -0.136 120.355 120.400 0.152 0.000 2.340 292 D HA 0.281 4.922 4.640 0.001 0.000 0.217 292 D C 1.374 177.773 176.300 0.164 0.000 1.081 292 D CA 0.498 54.577 54.000 0.131 0.000 0.842 292 D CB -0.467 40.397 40.800 0.107 0.000 0.934 292 D HN 0.574 nan 8.370 nan 0.000 0.511 293 G N -0.061 108.845 108.800 0.178 0.000 2.175 293 G HA2 -0.273 3.688 3.960 0.001 0.000 0.244 293 G HA3 -0.273 3.688 3.960 0.001 0.000 0.244 293 G C -0.109 174.894 174.900 0.173 0.000 0.982 293 G CA -0.085 45.099 45.100 0.139 0.000 0.641 293 G HN 0.381 nan 8.290 nan 0.000 0.527 294 F N 2.963 122.997 119.950 0.140 0.000 2.456 294 F HA 0.557 5.085 4.527 0.002 0.000 0.358 294 F C -1.828 174.064 175.800 0.153 0.000 1.095 294 F CA -2.179 55.920 58.000 0.164 0.000 1.216 294 F CB 1.140 40.268 39.000 0.214 0.000 1.125 294 F HN -0.100 nan 8.300 nan 0.000 0.549 295 P HA 0.010 nan 4.420 nan 0.000 0.269 295 P C 0.758 177.991 177.300 -0.111 0.000 1.252 295 P CA 0.160 63.082 63.100 -0.296 0.000 0.780 295 P CB 0.792 32.264 31.700 -0.381 0.000 0.829 296 V N 4.223 124.040 119.914 -0.161 0.000 2.324 296 V HA -0.346 3.775 4.120 0.001 0.000 0.250 296 V C 2.398 178.505 176.094 0.020 0.000 1.060 296 V CA 2.718 64.908 62.300 -0.183 0.000 1.042 296 V CB -1.530 30.039 31.823 -0.423 0.000 0.650 296 V HN 0.599 nan 8.190 nan 0.000 0.450 297 A N -0.546 122.269 122.820 -0.009 0.000 1.917 297 A HA -0.294 4.027 4.320 0.001 0.000 0.219 297 A C 2.319 180.006 177.584 0.170 0.000 1.182 297 A CA 2.208 54.290 52.037 0.076 0.000 0.633 297 A CB -0.501 18.591 19.000 0.155 0.000 0.819 297 A HN 0.553 nan 8.150 nan 0.000 0.448 298 K N -0.731 119.745 120.400 0.126 0.000 2.063 298 K HA -0.175 4.146 4.320 0.001 0.000 0.208 298 K C 1.588 178.375 176.600 0.312 0.000 1.048 298 K CA 1.577 57.972 56.287 0.182 0.000 0.928 298 K CB -0.291 32.219 32.500 0.016 0.000 0.713 298 K HN 0.426 nan 8.250 nan 0.000 0.442 299 D N 0.366 121.021 120.400 0.425 0.000 2.097 299 D HA -0.142 4.499 4.640 0.001 0.000 0.197 299 D C 1.650 178.060 176.300 0.183 0.000 0.984 299 D CA 0.775 54.979 54.000 0.339 0.000 0.826 299 D CB -0.336 40.704 40.800 0.400 0.000 0.973 299 D HN 0.011 nan 8.370 nan 0.000 0.460 300 F N 1.625 121.556 119.950 -0.031 0.000 2.087 300 F HA -0.276 4.252 4.527 0.001 0.000 0.299 300 F C 2.115 177.826 175.800 -0.149 0.000 1.100 300 F CA 1.615 59.494 58.000 -0.202 0.000 1.226 300 F CB -0.500 38.218 39.000 -0.469 0.000 0.983 300 F HN -0.081 nan 8.300 nan 0.000 0.479 301 N N -0.157 118.565 118.700 0.037 0.000 2.120 301 N HA -0.228 4.513 4.740 0.001 0.000 0.188 301 N C 1.988 177.520 175.510 0.037 0.000 1.024 301 N CA 1.260 54.394 53.050 0.140 0.000 0.852 301 N CB -0.233 38.450 38.487 0.326 0.000 1.003 301 N HN 0.033 nan 8.380 nan 0.000 0.424 302 R N 0.751 121.282 120.500 0.053 0.000 2.096 302 R HA -0.053 4.288 4.340 0.001 0.000 0.240 302 R C 1.867 178.143 176.300 -0.039 0.000 1.139 302 R CA 1.278 57.395 56.100 0.028 0.000 0.952 302 R CB -0.922 29.417 30.300 0.066 0.000 0.854 302 R HN 0.297 nan 8.270 nan 0.000 0.436 303 I N 0.495 120.998 120.570 -0.111 0.000 2.127 303 I HA -0.275 3.896 4.170 0.001 0.000 0.241 303 I C 2.147 178.153 176.117 -0.186 0.000 1.075 303 I CA 1.281 62.478 61.300 -0.170 0.000 1.334 303 I CB -0.989 36.854 38.000 -0.262 0.000 1.040 303 I HN 0.157 nan 8.210 nan 0.000 0.405 304 I N 0.367 120.749 120.570 -0.314 0.000 2.454 304 I HA -0.255 3.915 4.170 0.001 0.000 0.254 304 I C 2.678 178.825 176.117 0.050 0.000 1.156 304 I CA 1.038 62.248 61.300 -0.151 0.000 1.433 304 I CB -1.202 36.658 38.000 -0.234 0.000 1.082 304 I HN 0.296 nan 8.210 nan 0.000 0.432 305 C N -0.187 119.117 119.300 0.006 0.000 2.485 305 C HA -0.044 4.417 4.460 0.001 0.000 0.277 305 C C 2.796 177.786 174.990 -0.001 0.000 1.376 305 C CA 1.395 60.425 59.018 0.020 0.000 1.759 305 C CB -0.768 26.985 27.740 0.021 0.000 1.970 305 C HN 0.621 nan 8.230 nan 0.000 0.509 306 T N -3.526 111.026 114.554 -0.003 0.000 2.990 306 T HA 0.039 4.390 4.350 0.001 0.000 0.249 306 T C 0.990 175.695 174.700 0.007 0.000 1.039 306 T CA 0.874 62.969 62.100 -0.008 0.000 1.036 306 T CB -0.175 68.686 68.868 -0.012 0.000 0.994 306 T HN 0.493 nan 8.240 nan 0.000 0.489 307 C N 1.014 120.333 119.300 0.031 0.000 3.385 307 C HA 0.663 5.124 4.460 0.001 0.000 0.288 307 C C -0.485 174.596 174.990 0.152 0.000 1.429 307 C CA -1.046 58.004 59.018 0.053 0.000 1.778 307 C CB -1.454 26.294 27.740 0.012 0.000 2.503 307 C HN 0.589 nan 8.230 nan 0.000 0.646 308 F N 0.855 120.783 119.950 -0.037 0.000 2.668 308 F HA 0.499 5.026 4.527 0.001 0.000 0.309 308 F C -0.351 175.452 175.800 0.005 0.000 1.117 308 F CA -0.774 57.220 58.000 -0.010 0.000 0.951 308 F CB 1.116 40.103 39.000 -0.021 0.000 1.323 308 F HN -0.223 nan 8.300 nan 0.000 0.451 309 N N 1.288 119.593 118.700 -0.659 0.000 2.160 309 N HA 0.376 5.117 4.740 0.001 0.000 0.226 309 N C -0.511 174.649 175.510 -0.584 0.000 1.256 309 N CA 0.787 53.583 53.050 -0.423 0.000 0.890 309 N CB 1.243 39.658 38.487 -0.119 0.000 1.116 309 N HN 1.088 nan 8.380 nan 0.000 0.517 310 G N 0.451 108.396 108.800 -1.426 0.000 2.784 310 G HA2 0.161 4.121 3.960 0.001 0.000 0.686 310 G HA3 0.161 4.121 3.960 0.001 0.000 0.686 310 G C -0.222 174.393 174.900 -0.476 0.000 1.156 310 G CA -0.527 44.089 45.100 -0.807 0.000 0.757 310 G HN 0.350 nan 8.290 nan 0.000 0.642 311 A N 1.363 124.306 122.820 0.205 0.000 2.615 311 A HA 0.559 4.880 4.320 0.001 0.000 0.230 311 A C 1.446 179.079 177.584 0.082 0.000 1.062 311 A CA 1.449 53.642 52.037 0.261 0.000 0.758 311 A CB 0.194 19.390 19.000 0.327 0.000 0.995 311 A HN 2.470 nan 8.150 nan 0.000 0.511 312 S N 0.898 116.642 115.700 0.073 0.000 2.549 312 S HA 0.057 4.528 4.470 0.001 0.000 0.286 312 S C 1.487 176.097 174.600 0.017 0.000 1.314 312 S CA -0.032 58.179 58.200 0.019 0.000 1.062 312 S CB -0.067 63.136 63.200 0.007 0.000 0.865 312 S HN 0.889 nan 8.310 nan 0.000 0.498 313 N N 6.079 124.770 118.700 -0.015 0.000 2.137 313 N HA -0.199 4.542 4.740 0.001 0.000 0.190 313 N C 1.453 176.956 175.510 -0.012 0.000 1.017 313 N CA 2.086 55.123 53.050 -0.020 0.000 0.859 313 N CB -0.728 37.722 38.487 -0.061 0.000 1.002 313 N HN 0.717 nan 8.380 nan 0.000 0.428 314 I N 0.280 120.836 120.570 -0.024 0.000 2.252 314 I HA -0.185 3.986 4.170 0.001 0.000 0.245 314 I C 1.958 178.057 176.117 -0.031 0.000 1.102 314 I CA 0.978 62.258 61.300 -0.034 0.000 1.385 314 I CB -0.279 37.687 38.000 -0.057 0.000 1.064 314 I HN 0.109 nan 8.210 nan 0.000 0.414 315 S N 0.273 115.956 115.700 -0.027 0.000 2.368 315 S HA -0.227 4.244 4.470 0.001 0.000 0.225 315 S C 1.940 176.609 174.600 0.115 0.000 1.030 315 S CA 1.231 59.432 58.200 0.003 0.000 0.999 315 S CB -0.343 62.876 63.200 0.030 0.000 0.844 315 S HN 0.468 nan 8.310 nan 0.000 0.459 316 Q N 0.860 120.716 119.800 0.093 0.000 2.096 316 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 316 Q C 2.509 178.544 176.000 0.057 0.000 0.982 316 Q CA 1.463 57.321 55.803 0.091 0.000 0.850 316 Q CB -0.407 28.382 28.738 0.084 0.000 0.901 316 Q HN 0.620 nan 8.270 nan 0.000 0.422 317 A N 0.811 123.656 122.820 0.041 0.000 1.969 317 A HA -0.079 4.242 4.320 0.001 0.000 0.218 317 A C 2.242 179.855 177.584 0.049 0.000 1.169 317 A CA 1.520 53.576 52.037 0.032 0.000 0.635 317 A CB -0.931 18.079 19.000 0.017 0.000 0.810 317 A HN 0.478 nan 8.150 nan 0.000 0.445 318 G N -0.502 108.351 108.800 0.089 0.000 2.404 318 G HA2 0.054 4.015 3.960 0.001 0.000 0.215 318 G HA3 0.054 4.015 3.960 0.001 0.000 0.215 318 G C 1.745 176.701 174.900 0.093 0.000 1.174 318 G CA 1.258 46.475 45.100 0.194 0.000 0.780 318 G HN 0.746 nan 8.290 nan 0.000 0.537 319 A N 0.460 123.259 122.820 -0.035 0.000 1.933 319 A HA 0.112 4.433 4.320 0.001 0.000 0.218 319 A C 2.326 179.789 177.584 -0.200 0.000 1.175 319 A CA 1.135 52.870 52.037 -0.503 0.000 0.628 319 A CB -0.420 18.237 19.000 -0.573 0.000 0.814 319 A HN 0.325 nan 8.150 nan 0.000 0.444 320 L N -0.649 120.548 121.223 -0.043 0.000 2.083 320 L HA -0.183 4.158 4.340 0.001 0.000 0.209 320 L C 2.814 179.689 176.870 0.009 0.000 1.083 320 L CA 1.849 56.694 54.840 0.007 0.000 0.752 320 L CB -0.845 41.225 42.059 0.018 0.000 0.899 320 L HN 0.460 nan 8.230 nan 0.000 0.433 321 A N -1.298 121.528 122.820 0.010 0.000 2.015 321 A HA -0.194 4.127 4.320 0.001 0.000 0.219 321 A C 2.366 179.966 177.584 0.027 0.000 1.163 321 A CA 1.388 53.440 52.037 0.025 0.000 0.646 321 A CB -0.907 18.118 19.000 0.043 0.000 0.806 321 A HN 0.603 nan 8.150 nan 0.000 0.448 322 C N -0.630 118.675 119.300 0.008 0.000 2.435 322 C HA 0.062 4.523 4.460 0.001 0.000 0.279 322 C C 1.391 176.442 174.990 0.102 0.000 1.321 322 C CA 0.060 59.117 59.018 0.064 0.000 1.752 322 C CB -1.366 26.421 27.740 0.078 0.000 1.959 322 C HN 0.506 nan 8.230 nan 0.000 0.500 323 L N 2.560 123.834 121.223 0.086 0.000 2.536 323 L HA 0.250 4.590 4.340 0.001 0.000 0.242 323 L C 0.434 177.297 176.870 -0.011 0.000 1.280 323 L CA 0.297 55.160 54.840 0.038 0.000 1.221 323 L CB -1.150 40.935 42.059 0.043 0.000 1.449 323 L HN 0.505 nan 8.230 nan 0.000 0.405 324 T N -3.928 110.622 114.554 -0.007 0.000 2.821 324 T HA 0.385 4.735 4.350 0.001 0.000 0.306 324 T C -2.491 172.198 174.700 -0.017 0.000 1.313 324 T CA -1.462 60.629 62.100 -0.015 0.000 1.012 324 T CB 2.209 71.077 68.868 -0.000 0.000 1.298 324 T HN -0.214 nan 8.240 nan 0.000 0.502 325 P HA -0.119 nan 4.420 nan 0.000 0.214 325 P C 1.099 178.393 177.300 -0.011 0.000 1.163 325 P CA 1.570 64.654 63.100 -0.026 0.000 0.889 325 P CB -0.007 31.677 31.700 -0.027 0.000 0.790 326 E N -0.393 119.808 120.200 0.001 0.000 2.077 326 E HA -0.106 4.245 4.350 0.001 0.000 0.193 326 E C 2.384 179.002 176.600 0.031 0.000 0.989 326 E CA 1.551 57.959 56.400 0.014 0.000 0.800 326 E CB -1.718 27.992 29.700 0.017 0.000 0.746 326 E HN 0.233 nan 8.360 nan 0.000 0.452 327 G N 1.381 110.202 108.800 0.035 0.000 2.480 327 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 327 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 327 G C 1.369 176.312 174.900 0.072 0.000 1.200 327 G CA 0.766 45.901 45.100 0.058 0.000 0.782 327 G HN 0.097 nan 8.290 nan 0.000 0.554 328 L N 0.989 122.239 121.223 0.045 0.000 2.093 328 L HA 0.026 4.366 4.340 0.001 0.000 0.208 328 L C 2.569 179.471 176.870 0.053 0.000 1.085 328 L CA 1.662 56.528 54.840 0.044 0.000 0.755 328 L CB -1.165 40.886 42.059 -0.015 0.000 0.904 328 L HN 0.483 nan 8.230 nan 0.000 0.435 329 E N -0.215 120.001 120.200 0.027 0.000 2.058 329 E HA -0.251 4.100 4.350 0.001 0.000 0.194 329 E C 2.180 178.832 176.600 0.086 0.000 0.997 329 E CA 1.438 57.858 56.400 0.032 0.000 0.801 329 E CB 0.117 29.820 29.700 0.007 0.000 0.746 329 E HN 0.420 nan 8.360 nan 0.000 0.450 330 A N 0.878 123.746 122.820 0.081 0.000 1.902 330 A HA -0.195 4.125 4.320 0.001 0.000 0.217 330 A C 2.227 179.883 177.584 0.120 0.000 1.181 330 A CA 1.816 53.907 52.037 0.092 0.000 0.623 330 A CB -0.505 18.545 19.000 0.084 0.000 0.818 330 A HN 0.318 nan 8.150 nan 0.000 0.443 331 M N -1.821 117.864 119.600 0.141 0.000 2.132 331 M HA -0.129 4.352 4.480 0.001 0.000 0.263 331 M C 2.317 178.689 176.300 0.120 0.000 1.065 331 M CA 1.633 57.029 55.300 0.160 0.000 1.122 331 M CB -0.672 32.038 32.600 0.183 0.000 1.365 331 M HN 0.627 nan 8.290 nan 0.000 0.411 332 H N 0.759 119.840 119.070 0.018 0.000 2.352 332 H HA -0.181 4.376 4.556 0.001 0.000 0.299 332 H C 2.036 177.372 175.328 0.013 0.000 1.097 332 H CA 2.001 58.043 56.048 -0.010 0.000 1.311 332 H CB 0.092 29.845 29.762 -0.014 0.000 1.377 332 H HN 0.215 nan 8.280 nan 0.000 0.504 333 K N 0.499 120.982 120.400 0.137 0.000 2.057 333 K HA -0.104 4.217 4.320 0.001 0.000 0.206 333 K C 2.422 179.054 176.600 0.053 0.000 1.050 333 K CA 1.465 57.808 56.287 0.093 0.000 0.935 333 K CB -0.246 32.310 32.500 0.093 0.000 0.715 333 K HN 0.238 nan 8.250 nan 0.000 0.439 334 V N -1.073 118.881 119.914 0.066 0.000 2.379 334 V HA -0.123 3.998 4.120 0.001 0.000 0.245 334 V C 1.973 178.141 176.094 0.124 0.000 1.044 334 V CA 1.500 63.840 62.300 0.066 0.000 1.036 334 V CB -0.524 31.375 31.823 0.126 0.000 0.664 334 V HN 0.246 nan 8.190 nan 0.000 0.453 335 I N 2.086 122.706 120.570 0.083 0.000 2.208 335 I HA -0.145 4.026 4.170 0.001 0.000 0.245 335 I C 2.760 178.859 176.117 -0.029 0.000 1.097 335 I CA 2.013 63.278 61.300 -0.059 0.000 1.363 335 I CB -0.940 36.795 38.000 -0.442 0.000 1.051 335 I HN 0.473 nan 8.210 nan 0.000 0.413 336 G N -0.032 108.706 108.800 -0.104 0.000 2.448 336 G HA2 -0.299 3.662 3.960 0.001 0.000 0.219 336 G HA3 -0.299 3.662 3.960 0.001 0.000 0.219 336 G C 1.566 176.473 174.900 0.012 0.000 1.127 336 G CA 0.471 45.523 45.100 -0.079 0.000 0.766 336 G HN 0.393 nan 8.290 nan 0.000 0.552 337 F N 0.489 120.367 119.950 -0.120 0.000 2.128 337 F HA 0.049 4.576 4.527 0.001 0.000 0.295 337 F C 2.342 178.098 175.800 -0.072 0.000 1.100 337 F CA 0.860 58.766 58.000 -0.157 0.000 1.260 337 F CB -0.119 38.703 39.000 -0.296 0.000 1.009 337 F HN 0.143 nan 8.300 nan 0.000 0.476 338 Y N 0.945 121.266 120.300 0.035 0.000 2.293 338 Y HA -0.062 4.489 4.550 0.001 0.000 0.291 338 Y C 2.330 178.155 175.900 -0.125 0.000 1.137 338 Y CA 1.171 59.230 58.100 -0.069 0.000 1.202 338 Y CB -0.889 37.668 38.460 0.161 0.000 0.990 338 Y HN 0.059 nan 8.280 nan 0.000 0.537 339 K N -0.205 120.267 120.400 0.120 0.000 2.057 339 K HA -0.199 4.122 4.320 0.001 0.000 0.206 339 K C 2.016 178.587 176.600 -0.048 0.000 1.050 339 K CA 1.463 57.774 56.287 0.040 0.000 0.935 339 K CB -0.069 32.458 32.500 0.045 0.000 0.715 339 K HN 0.095 nan 8.250 nan 0.000 0.439 340 E N 1.647 121.787 120.200 -0.100 0.000 2.031 340 E HA -0.190 4.161 4.350 0.001 0.000 0.193 340 E C 1.550 178.048 176.600 -0.171 0.000 0.994 340 E CA 1.533 57.855 56.400 -0.130 0.000 0.800 340 E CB -0.281 29.339 29.700 -0.133 0.000 0.752 340 E HN 0.151 nan 8.360 nan 0.000 0.447 341 N N -0.260 118.262 118.700 -0.296 0.000 2.111 341 N HA -0.234 4.507 4.740 0.001 0.000 0.197 341 N C 1.867 177.321 175.510 -0.094 0.000 1.011 341 N CA 2.156 55.084 53.050 -0.203 0.000 0.880 341 N CB -1.149 37.221 38.487 -0.195 0.000 1.031 341 N HN 0.465 nan 8.380 nan 0.000 0.444 342 T N 0.153 114.650 114.554 -0.095 0.000 2.942 342 T HA 0.006 4.356 4.350 0.001 0.000 0.265 342 T C 1.498 176.182 174.700 -0.026 0.000 1.062 342 T CA 0.781 62.837 62.100 -0.072 0.000 1.139 342 T CB -0.058 68.726 68.868 -0.140 0.000 0.883 342 T HN 0.117 nan 8.240 nan 0.000 0.468 343 N N 1.451 120.134 118.700 -0.028 0.000 2.166 343 N HA -0.011 4.730 4.740 0.001 0.000 0.186 343 N C 1.944 177.460 175.510 0.010 0.000 1.019 343 N CA 1.474 54.520 53.050 -0.007 0.000 0.856 343 N CB -0.375 38.105 38.487 -0.012 0.000 0.993 343 N HN 0.494 nan 8.380 nan 0.000 0.426 344 I N 1.079 121.650 120.570 0.002 0.000 2.179 344 I HA -0.234 3.937 4.170 0.001 0.000 0.242 344 I C 2.071 178.227 176.117 0.065 0.000 1.088 344 I CA 0.891 62.203 61.300 0.020 0.000 1.357 344 I CB -0.264 37.737 38.000 0.002 0.000 1.051 344 I HN -0.006 nan 8.210 nan 0.000 0.409 345 I N 0.712 121.339 120.570 0.095 0.000 2.127 345 I HA -0.328 3.843 4.170 0.001 0.000 0.241 345 I C 2.480 178.736 176.117 0.232 0.000 1.075 345 I CA 1.773 63.192 61.300 0.200 0.000 1.334 345 I CB -0.337 37.795 38.000 0.220 0.000 1.040 345 I HN 0.125 nan 8.210 nan 0.000 0.405 346 I N 0.495 121.147 120.570 0.136 0.000 2.118 346 I HA -0.360 3.811 4.170 0.001 0.000 0.241 346 I C 2.193 178.369 176.117 0.098 0.000 1.070 346 I CA 1.592 62.956 61.300 0.107 0.000 1.327 346 I CB -0.644 37.381 38.000 0.042 0.000 1.034 346 I HN 0.272 nan 8.210 nan 0.000 0.405 347 D N 0.426 120.864 120.400 0.064 0.000 2.154 347 D HA -0.257 4.384 4.640 0.001 0.000 0.190 347 D C 2.226 178.555 176.300 0.048 0.000 1.003 347 D CA 2.399 56.426 54.000 0.045 0.000 0.849 347 D CB -0.732 40.085 40.800 0.028 0.000 0.942 347 D HN 0.404 nan 8.370 nan 0.000 0.446 348 T N -1.380 113.199 114.554 0.042 0.000 2.777 348 T HA -0.157 4.194 4.350 0.001 0.000 0.266 348 T C 2.008 176.654 174.700 -0.089 0.000 1.040 348 T CA 0.840 62.926 62.100 -0.024 0.000 1.141 348 T CB -0.579 68.263 68.868 -0.043 0.000 0.868 348 T HN 0.013 nan 8.240 nan 0.000 0.444 349 F N 1.609 121.565 119.950 0.010 0.000 2.234 349 F HA 0.095 4.623 4.527 0.001 0.000 0.299 349 F C 2.916 178.736 175.800 0.032 0.000 1.087 349 F CA 1.279 59.248 58.000 -0.052 0.000 1.340 349 F CB -0.759 38.120 39.000 -0.202 0.000 1.031 349 F HN 0.198 nan 8.300 nan 0.000 0.500 350 T N -1.112 113.542 114.554 0.167 0.000 2.770 350 T HA -0.150 4.201 4.350 0.001 0.000 0.263 350 T C 2.230 176.969 174.700 0.065 0.000 1.039 350 T CA 1.558 63.713 62.100 0.092 0.000 1.142 350 T CB -0.482 68.414 68.868 0.046 0.000 0.868 350 T HN 0.344 nan 8.240 nan 0.000 0.435 351 S N 0.861 116.592 115.700 0.052 0.000 2.528 351 S HA 0.032 4.503 4.470 0.001 0.000 0.244 351 S C 1.579 176.205 174.600 0.043 0.000 0.982 351 S CA 0.785 59.005 58.200 0.033 0.000 0.953 351 S CB -0.522 62.692 63.200 0.023 0.000 0.754 351 S HN 0.462 nan 8.310 nan 0.000 0.529 352 L N -0.120 121.157 121.223 0.089 0.000 2.766 352 L HA 0.397 4.738 4.340 0.001 0.000 0.242 352 L C 1.660 178.564 176.870 0.057 0.000 1.136 352 L CA 0.355 55.273 54.840 0.131 0.000 0.933 352 L CB 0.318 42.523 42.059 0.245 0.000 1.241 352 L HN 0.563 nan 8.230 nan 0.000 0.522 353 G N -0.994 107.815 108.800 0.014 0.000 2.176 353 G HA2 -0.292 3.669 3.960 0.001 0.000 0.232 353 G HA3 -0.292 3.669 3.960 0.001 0.000 0.232 353 G C -0.090 174.670 174.900 -0.234 0.000 0.986 353 G CA -0.367 44.648 45.100 -0.142 0.000 0.643 353 G HN 0.178 nan 8.290 nan 0.000 0.522 354 Y N 1.150 121.364 120.300 -0.144 0.000 2.316 354 Y HA 0.529 5.079 4.550 0.001 0.000 0.324 354 Y C 0.591 176.355 175.900 -0.228 0.000 1.267 354 Y CA -0.997 56.954 58.100 -0.248 0.000 1.311 354 Y CB 0.532 38.764 38.460 -0.381 0.000 1.267 354 Y HN -0.012 nan 8.280 nan 0.000 0.516 355 D N 1.464 121.818 120.400 -0.076 0.000 2.346 355 D HA 0.272 4.912 4.640 0.001 0.000 0.260 355 D C -0.720 175.378 176.300 -0.336 0.000 1.252 355 D CA 0.193 54.078 54.000 -0.191 0.000 0.895 355 D CB 0.538 41.364 40.800 0.043 0.000 1.097 355 D HN 0.346 nan 8.370 nan 0.000 0.489 356 V N 1.996 121.614 119.914 -0.494 0.000 2.444 356 V HA 0.581 4.702 4.120 0.001 0.000 0.294 356 V C -1.379 174.417 176.094 -0.496 0.000 1.022 356 V CA -0.617 61.461 62.300 -0.370 0.000 0.850 356 V CB 0.687 32.406 31.823 -0.173 0.000 0.992 356 V HN 0.279 nan 8.190 nan 0.000 0.426 357 Y N 4.059 124.415 120.300 0.093 0.000 2.567 357 Y HA 0.909 5.460 4.550 0.001 0.000 0.333 357 Y C 1.293 177.171 175.900 -0.035 0.000 1.106 357 Y CA 0.529 58.672 58.100 0.072 0.000 1.157 357 Y CB 1.807 40.364 38.460 0.161 0.000 1.277 357 Y HN 1.280 nan 8.280 nan 0.000 0.490 358 G N 0.721 109.529 108.800 0.014 0.000 2.582 358 G HA2 -0.028 3.933 3.960 0.001 0.000 0.288 358 G HA3 -0.028 3.933 3.960 0.001 0.000 0.288 358 G C 1.049 175.924 174.900 -0.042 0.000 1.247 358 G CA 0.380 45.431 45.100 -0.081 0.000 0.972 358 G HN 1.949 nan 8.290 nan 0.000 0.557 359 G N -1.168 107.591 108.800 -0.068 0.000 2.244 359 G HA2 -0.220 3.740 3.960 0.001 0.000 0.274 359 G HA3 -0.220 3.740 3.960 0.001 0.000 0.274 359 G C 1.080 175.955 174.900 -0.043 0.000 1.002 359 G CA 1.972 47.030 45.100 -0.069 0.000 0.740 359 G HN 1.453 nan 8.290 nan 0.000 0.516 360 K N -0.221 120.162 120.400 -0.029 0.000 2.262 360 K HA 0.181 4.502 4.320 0.001 0.000 0.200 360 K C 1.591 178.200 176.600 0.014 0.000 1.058 360 K CA 1.112 57.399 56.287 -0.001 0.000 0.974 360 K CB 0.089 32.597 32.500 0.013 0.000 0.910 360 K HN 0.231 nan 8.250 nan 0.000 0.484 361 N N 0.130 118.832 118.700 0.003 0.000 2.235 361 N HA 0.290 5.031 4.740 0.001 0.000 0.231 361 N C -1.167 174.365 175.510 0.036 0.000 1.177 361 N CA 0.288 53.364 53.050 0.043 0.000 0.874 361 N CB 1.654 40.169 38.487 0.048 0.000 1.097 361 N HN 0.176 nan 8.380 nan 0.000 0.518 362 A N 0.693 123.465 122.820 -0.080 0.000 2.608 362 A HA 0.534 4.855 4.320 0.001 0.000 0.292 362 A C -2.623 174.642 177.584 -0.532 0.000 1.066 362 A CA -0.878 50.965 52.037 -0.323 0.000 0.676 362 A CB 1.486 20.290 19.000 -0.327 0.000 1.277 362 A HN -0.173 nan 8.150 nan 0.000 0.413 363 P HA 0.245 nan 4.420 nan 0.000 0.249 363 P C -1.050 175.569 177.300 -1.135 0.000 1.544 363 P CA 0.500 62.902 63.100 -1.163 0.000 0.932 363 P CB -0.484 30.141 31.700 -1.792 0.000 1.524 364 Y N -0.426 119.606 120.300 -0.447 0.000 2.361 364 Y HA 0.351 4.902 4.550 0.001 0.000 0.337 364 Y C 0.269 176.051 175.900 -0.197 0.000 0.965 364 Y CA -1.862 56.050 58.100 -0.314 0.000 1.091 364 Y CB 2.174 40.395 38.460 -0.397 0.000 1.182 364 Y HN -0.257 nan 8.280 nan 0.000 0.450 365 V N 3.743 123.696 119.914 0.065 0.000 2.472 365 V HA 0.433 4.554 4.120 0.001 0.000 0.290 365 V C -1.052 175.122 176.094 0.133 0.000 1.037 365 V CA -0.647 61.681 62.300 0.046 0.000 0.908 365 V CB 1.379 33.199 31.823 -0.006 0.000 0.985 365 V HN 0.925 nan 8.190 nan 0.000 0.454 366 W N 7.363 128.604 121.300 -0.098 0.000 2.309 366 W HA 0.588 5.249 4.660 0.001 0.000 0.332 366 W C -1.358 175.247 176.519 0.143 0.000 0.962 366 W CA -0.792 56.544 57.345 -0.015 0.000 1.497 366 W CB 1.552 30.939 29.460 -0.121 0.000 1.308 366 W HN 0.579 nan 8.180 nan 0.000 0.384 367 V N 5.360 125.211 119.914 -0.106 0.000 2.439 367 V HA 0.065 4.185 4.120 0.001 0.000 0.282 367 V C 0.117 176.061 176.094 -0.250 0.000 1.039 367 V CA -0.474 61.639 62.300 -0.312 0.000 0.913 367 V CB 1.068 32.419 31.823 -0.786 0.000 0.983 367 V HN 0.308 nan 8.190 nan 0.000 0.460 368 H N 4.205 123.007 119.070 -0.447 0.000 2.580 368 H HA 0.490 5.047 4.556 0.001 0.000 0.322 368 H C -1.242 173.706 175.328 -0.634 0.000 1.082 368 H CA -1.129 54.521 56.048 -0.663 0.000 1.383 368 H CB 0.713 30.207 29.762 -0.446 0.000 1.450 368 H HN 0.477 nan 8.280 nan 0.000 0.505 369 F N 7.066 126.700 119.950 -0.526 0.000 2.660 369 F HA 0.273 4.801 4.527 0.001 0.000 0.352 369 F C -2.143 173.341 175.800 -0.526 0.000 1.257 369 F CA -1.879 55.893 58.000 -0.381 0.000 1.200 369 F CB 1.047 39.894 39.000 -0.254 0.000 1.473 369 F HN 0.472 nan 8.300 nan 0.000 0.561 370 P HA 0.060 nan 4.420 nan 0.000 0.274 370 P C 0.418 177.589 177.300 -0.215 0.000 1.237 370 P CA 0.181 62.956 63.100 -0.543 0.000 0.793 370 P CB 0.928 32.251 31.700 -0.627 0.000 0.977 371 N N -1.333 117.286 118.700 -0.135 0.000 2.936 371 N HA -0.179 4.562 4.740 0.001 0.000 0.236 371 N C -0.635 174.860 175.510 -0.026 0.000 0.930 371 N CA 0.745 53.757 53.050 -0.063 0.000 0.966 371 N CB -0.438 38.012 38.487 -0.061 0.000 1.090 371 N HN 0.612 nan 8.380 nan 0.000 0.592 372 Q N 0.566 120.354 119.800 -0.021 0.000 2.351 372 Q HA 0.478 4.819 4.340 0.001 0.000 0.273 372 Q C -0.136 175.875 176.000 0.018 0.000 1.077 372 Q CA -0.638 55.172 55.803 0.012 0.000 0.843 372 Q CB 1.863 30.619 28.738 0.030 0.000 1.367 372 Q HN 0.281 nan 8.270 nan 0.000 0.449 373 S N -0.272 115.455 115.700 0.044 0.000 2.584 373 S HA 0.120 4.591 4.470 0.001 0.000 0.273 373 S C 0.930 175.557 174.600 0.045 0.000 1.311 373 S CA -0.089 58.153 58.200 0.071 0.000 1.034 373 S CB 1.255 64.528 63.200 0.122 0.000 0.939 373 S HN 0.723 nan 8.310 nan 0.000 0.513 374 S N 1.771 117.478 115.700 0.012 0.000 2.383 374 S HA -0.113 4.357 4.470 0.001 0.000 0.227 374 S C 1.307 175.853 174.600 -0.090 0.000 1.026 374 S CA 0.511 58.656 58.200 -0.092 0.000 0.981 374 S CB -1.074 62.047 63.200 -0.132 0.000 0.818 374 S HN 0.891 nan 8.310 nan 0.000 0.472 375 W N 2.473 123.779 121.300 0.010 0.000 2.331 375 W HA -0.077 4.584 4.660 0.001 0.000 0.291 375 W C 2.114 178.695 176.519 0.104 0.000 1.214 375 W CA 0.914 58.273 57.345 0.024 0.000 1.228 375 W CB -0.210 29.230 29.460 -0.032 0.000 1.135 375 W HN 0.326 nan 8.180 nan 0.000 0.537 376 D N -0.653 119.906 120.400 0.266 0.000 2.162 376 D HA -0.112 4.529 4.640 0.001 0.000 0.203 376 D C 2.239 178.596 176.300 0.094 0.000 0.967 376 D CA 1.130 55.234 54.000 0.174 0.000 0.840 376 D CB -0.376 40.491 40.800 0.112 0.000 0.972 376 D HN 0.004 nan 8.370 nan 0.000 0.482 377 V N 1.216 121.129 119.914 -0.002 0.000 2.515 377 V HA -0.209 3.911 4.120 0.001 0.000 0.250 377 V C 2.112 178.120 176.094 -0.143 0.000 1.058 377 V CA 1.117 63.305 62.300 -0.187 0.000 1.064 377 V CB -0.509 30.986 31.823 -0.547 0.000 0.675 377 V HN 0.113 nan 8.190 nan 0.000 0.461 378 F N 1.677 121.532 119.950 -0.158 0.000 2.084 378 F HA -0.080 4.448 4.527 0.002 0.000 0.296 378 F C 2.307 178.101 175.800 -0.010 0.000 1.111 378 F CA 1.615 59.554 58.000 -0.102 0.000 1.224 378 F CB -0.584 38.349 39.000 -0.113 0.000 0.991 378 F HN 0.064 nan 8.300 nan 0.000 0.471 379 A N -0.181 122.771 122.820 0.220 0.000 1.940 379 A HA -0.235 4.086 4.320 0.001 0.000 0.219 379 A C 2.145 179.695 177.584 -0.056 0.000 1.176 379 A CA 1.984 54.087 52.037 0.110 0.000 0.631 379 A CB -0.994 18.167 19.000 0.269 0.000 0.814 379 A HN 0.607 nan 8.150 nan 0.000 0.446 380 E N -0.508 119.664 120.200 -0.046 0.000 2.046 380 E HA -0.094 4.257 4.350 0.001 0.000 0.190 380 E C 1.824 178.340 176.600 -0.139 0.000 0.982 380 E CA 1.049 57.412 56.400 -0.061 0.000 0.800 380 E CB -0.187 29.504 29.700 -0.014 0.000 0.756 380 E HN 0.641 nan 8.360 nan 0.000 0.449 381 I N 0.443 120.909 120.570 -0.173 0.000 2.179 381 I HA -0.251 3.920 4.170 0.001 0.000 0.242 381 I C 2.291 178.242 176.117 -0.277 0.000 1.088 381 I CA 0.556 61.756 61.300 -0.167 0.000 1.357 381 I CB -0.177 37.769 38.000 -0.090 0.000 1.051 381 I HN 0.235 nan 8.210 nan 0.000 0.409 382 L N 1.065 122.025 121.223 -0.438 0.000 1.970 382 L HA -0.251 4.090 4.340 0.001 0.000 0.212 382 L C 2.443 178.987 176.870 -0.544 0.000 1.071 382 L CA 2.194 56.694 54.840 -0.566 0.000 0.751 382 L CB -0.945 40.649 42.059 -0.775 0.000 0.889 382 L HN 0.263 nan 8.230 nan 0.000 0.432 383 E N 0.310 120.329 120.200 -0.301 0.000 2.068 383 E HA -0.306 4.045 4.350 0.001 0.000 0.207 383 E C 1.997 178.408 176.600 -0.315 0.000 1.032 383 E CA 2.394 58.742 56.400 -0.086 0.000 0.839 383 E CB -0.201 29.504 29.700 0.008 0.000 0.758 383 E HN 0.565 nan 8.360 nan 0.000 0.457 384 K N -1.725 118.467 120.400 -0.346 0.000 2.353 384 K HA 0.155 4.476 4.320 0.001 0.000 0.195 384 K C 1.313 177.650 176.600 -0.437 0.000 1.031 384 K CA 0.880 56.952 56.287 -0.360 0.000 1.079 384 K CB 0.763 33.137 32.500 -0.211 0.000 0.857 384 K HN 0.340 nan 8.250 nan 0.000 0.535 385 T N -4.325 109.942 114.554 -0.477 0.000 2.969 385 T HA 0.080 4.430 4.350 0.001 0.000 0.258 385 T C 0.147 174.670 174.700 -0.294 0.000 0.962 385 T CA -0.208 61.696 62.100 -0.327 0.000 0.903 385 T CB -0.119 68.650 68.868 -0.165 0.000 1.177 385 T HN 0.254 nan 8.240 nan 0.000 0.511 386 H N -0.102 118.880 119.070 -0.147 0.000 2.958 386 H HA -0.092 4.465 4.556 0.001 0.000 0.274 386 H C -0.600 174.663 175.328 -0.108 0.000 1.184 386 H CA 0.420 56.399 56.048 -0.115 0.000 1.143 386 H CB -2.336 27.422 29.762 -0.007 0.000 1.297 386 H HN 0.383 nan 8.280 nan 0.000 0.356 387 V N 1.133 121.002 119.914 -0.075 0.000 2.370 387 V HA 0.258 4.379 4.120 0.001 0.000 0.279 387 V C 0.472 176.543 176.094 -0.038 0.000 1.029 387 V CA -0.337 61.960 62.300 -0.005 0.000 0.870 387 V CB 1.670 33.544 31.823 0.085 0.000 0.984 387 V HN 0.215 nan 8.190 nan 0.000 0.451 388 V N 6.338 126.262 119.914 0.017 0.000 2.488 388 V HA 0.599 4.720 4.120 0.001 0.000 0.277 388 V C 0.580 176.771 176.094 0.163 0.000 1.046 388 V CA 0.623 62.947 62.300 0.040 0.000 0.986 388 V CB 1.221 33.125 31.823 0.134 0.000 0.989 388 V HN 1.119 nan 8.190 nan 0.000 0.475 389 T N 3.260 117.927 114.554 0.188 0.000 2.797 389 T HA 0.617 4.968 4.350 0.001 0.000 0.267 389 T C -0.079 174.842 174.700 0.368 0.000 0.986 389 T CA -0.542 61.711 62.100 0.254 0.000 0.999 389 T CB 1.599 70.553 68.868 0.143 0.000 1.508 389 T HN 0.676 nan 8.240 nan 0.000 0.595 390 T N 3.031 117.742 114.554 0.263 0.000 2.840 390 T HA 0.535 4.886 4.350 0.001 0.000 0.287 390 T C -2.841 171.845 174.700 -0.023 0.000 0.991 390 T CA -1.105 61.073 62.100 0.130 0.000 0.964 390 T CB 1.523 70.571 68.868 0.300 0.000 0.954 390 T HN 0.524 nan 8.240 nan 0.000 0.438 391 P HA 0.167 nan 4.420 nan 0.000 0.271 391 P C 1.066 178.236 177.300 -0.217 0.000 1.216 391 P CA -0.147 62.648 63.100 -0.508 0.000 0.776 391 P CB 0.891 31.780 31.700 -1.350 0.000 0.881 392 G N 2.370 111.184 108.800 0.023 0.000 2.422 392 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 392 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 392 G C 1.595 176.696 174.900 0.335 0.000 1.146 392 G CA 0.988 46.325 45.100 0.396 0.000 0.769 392 G HN 0.603 nan 8.290 nan 0.000 0.547 393 S N 0.626 116.349 115.700 0.039 0.000 2.419 393 S HA 0.006 4.477 4.470 0.001 0.000 0.235 393 S C 2.398 176.981 174.600 -0.029 0.000 1.019 393 S CA 1.356 59.579 58.200 0.038 0.000 0.982 393 S CB -0.713 62.513 63.200 0.044 0.000 0.789 393 S HN 0.430 nan 8.310 nan 0.000 0.490 394 G N 0.161 108.781 108.800 -0.301 0.000 2.498 394 G HA2 -0.022 3.939 3.960 0.001 0.000 0.219 394 G HA3 -0.022 3.939 3.960 0.001 0.000 0.219 394 G C 0.682 175.291 174.900 -0.484 0.000 1.119 394 G CA 0.345 45.169 45.100 -0.460 0.000 0.766 394 G HN 0.627 nan 8.290 nan 0.000 0.552 395 F N 0.757 120.655 119.950 -0.086 0.000 2.641 395 F HA 0.463 4.991 4.527 0.001 0.000 0.302 395 F C 1.335 177.164 175.800 0.048 0.000 1.098 395 F CA 0.344 58.311 58.000 -0.055 0.000 1.318 395 F CB 0.605 39.552 39.000 -0.089 0.000 1.035 395 F HN 0.305 nan 8.300 nan 0.000 0.551 396 G N 0.437 109.379 108.800 0.236 0.000 2.392 396 G HA2 -0.057 3.904 3.960 0.001 0.000 0.677 396 G HA3 -0.057 3.904 3.960 0.001 0.000 0.677 396 G C -2.361 172.657 174.900 0.197 0.000 1.334 396 G CA -0.916 44.342 45.100 0.264 0.000 0.961 396 G HN -0.190 nan 8.290 nan 0.000 0.616 397 P HA -0.044 nan 4.420 nan 0.000 0.216 397 P C 1.811 179.183 177.300 0.120 0.000 1.150 397 P CA 2.122 65.263 63.100 0.068 0.000 0.843 397 P CB -0.074 31.589 31.700 -0.061 0.000 0.787 398 G N -1.911 106.969 108.800 0.134 0.000 2.920 398 G HA2 0.257 4.218 3.960 0.001 0.000 0.208 398 G HA3 0.257 4.218 3.960 0.001 0.000 0.208 398 G C 1.175 176.218 174.900 0.239 0.000 1.159 398 G CA 0.646 45.839 45.100 0.155 0.000 0.784 398 G HN 0.495 nan 8.290 nan 0.000 0.535 399 G N 0.389 109.415 108.800 0.377 0.000 3.377 399 G HA2 -0.337 3.623 3.960 0.001 0.000 0.304 399 G HA3 -0.337 3.623 3.960 0.001 0.000 0.304 399 G C 0.296 175.438 174.900 0.404 0.000 1.366 399 G CA 0.417 45.759 45.100 0.403 0.000 1.020 399 G HN 0.629 nan 8.290 nan 0.000 0.621 400 E N 2.615 122.993 120.200 0.296 0.000 2.360 400 E HA 0.524 4.874 4.350 0.001 0.000 0.269 400 E C 0.544 177.334 176.600 0.317 0.000 1.022 400 E CA 0.585 57.125 56.400 0.233 0.000 0.887 400 E CB 0.817 30.612 29.700 0.158 0.000 0.990 400 E HN 1.064 nan 8.360 nan 0.000 0.426 401 G N 3.902 112.807 108.800 0.175 0.000 2.873 401 G HA2 0.476 4.437 3.960 0.001 0.000 0.340 401 G HA3 0.476 4.437 3.960 0.001 0.000 0.340 401 G C -1.054 173.801 174.900 -0.075 0.000 1.171 401 G CA -0.397 44.742 45.100 0.064 0.000 1.113 401 G HN 0.248 nan 8.290 nan 0.000 0.471 402 F N 0.946 120.745 119.950 -0.252 0.000 2.557 402 F HA 0.727 5.255 4.527 0.001 0.000 0.336 402 F C 0.370 175.922 175.800 -0.413 0.000 1.058 402 F CA -1.233 56.434 58.000 -0.555 0.000 0.988 402 F CB 2.311 40.203 39.000 -1.848 0.000 1.275 402 F HN 0.346 nan 8.300 nan 0.000 0.488 403 V N 0.564 120.402 119.914 -0.126 0.000 2.823 403 V HA 0.653 4.774 4.120 0.001 0.000 0.312 403 V C -0.930 175.195 176.094 0.052 0.000 1.072 403 V CA -0.927 61.337 62.300 -0.061 0.000 0.937 403 V CB 1.929 33.662 31.823 -0.151 0.000 1.013 403 V HN 0.839 nan 8.190 nan 0.000 0.430 404 R N 3.252 123.893 120.500 0.234 0.000 2.312 404 R HA 0.735 5.076 4.340 0.001 0.000 0.311 404 R C -1.583 174.828 176.300 0.185 0.000 1.004 404 R CA -0.455 55.815 56.100 0.283 0.000 0.902 404 R CB 1.740 32.217 30.300 0.296 0.000 1.073 404 R HN 0.764 nan 8.270 nan 0.000 0.457 405 V N 3.468 123.466 119.914 0.140 0.000 2.384 405 V HA 0.196 4.316 4.120 0.001 0.000 0.287 405 V C 0.238 176.460 176.094 0.214 0.000 1.020 405 V CA -0.593 61.805 62.300 0.164 0.000 0.850 405 V CB 1.448 33.333 31.823 0.102 0.000 0.987 405 V HN 0.830 nan 8.190 nan 0.000 0.436 406 S N 3.651 119.506 115.700 0.258 0.000 2.584 406 S HA 0.561 5.032 4.470 0.001 0.000 0.273 406 S C 0.976 175.600 174.600 0.040 0.000 1.311 406 S CA 0.219 58.544 58.200 0.207 0.000 1.034 406 S CB 1.489 64.893 63.200 0.339 0.000 0.939 406 S HN 1.016 nan 8.310 nan 0.000 0.513 407 A N 3.816 126.491 122.820 -0.241 0.000 2.430 407 A HA 0.400 4.720 4.320 0.001 0.000 0.243 407 A C -0.183 177.295 177.584 -0.177 0.000 1.254 407 A CA -0.375 51.530 52.037 -0.219 0.000 0.914 407 A CB -0.183 18.624 19.000 -0.321 0.000 0.998 407 A HN 0.667 nan 8.150 nan 0.000 0.515 408 F N 0.702 120.622 119.950 -0.049 0.000 2.438 408 F HA 0.553 5.081 4.527 0.001 0.000 0.360 408 F C 1.054 176.937 175.800 0.137 0.000 1.118 408 F CA 0.317 58.311 58.000 -0.010 0.000 1.164 408 F CB 0.822 39.716 39.000 -0.177 0.000 1.131 408 F HN 0.221 nan 8.300 nan 0.000 0.527 409 G N 1.753 110.825 108.800 0.453 0.000 2.430 409 G HA2 0.232 4.192 3.960 0.001 0.000 0.300 409 G HA3 0.232 4.192 3.960 0.001 0.000 0.300 409 G C -1.681 173.468 174.900 0.414 0.000 1.330 409 G CA -1.000 44.266 45.100 0.276 0.000 0.813 409 G HN 0.372 nan 8.290 nan 0.000 0.487 410 H N 0.041 119.305 119.070 0.323 0.000 2.690 410 H HA 0.339 4.896 4.556 0.001 0.000 0.365 410 H C 1.632 177.158 175.328 0.331 0.000 1.142 410 H CA -0.196 56.055 56.048 0.338 0.000 1.417 410 H CB 1.458 31.334 29.762 0.191 0.000 1.446 410 H HN 0.576 nan 8.280 nan 0.000 0.599 411 R N 1.288 122.129 120.500 0.568 0.000 2.096 411 R HA -0.182 4.159 4.340 0.001 0.000 0.240 411 R C 1.782 178.193 176.300 0.186 0.000 1.139 411 R CA 1.746 58.030 56.100 0.306 0.000 0.952 411 R CB -0.293 30.202 30.300 0.325 0.000 0.854 411 R HN 0.588 nan 8.270 nan 0.000 0.436 412 E N 0.362 120.678 120.200 0.193 0.000 2.110 412 E HA -0.135 4.216 4.350 0.001 0.000 0.193 412 E C 1.474 178.133 176.600 0.099 0.000 0.988 412 E CA 1.417 57.890 56.400 0.122 0.000 0.804 412 E CB -0.478 29.291 29.700 0.115 0.000 0.745 412 E HN 0.345 nan 8.360 nan 0.000 0.458 413 N N 0.052 118.832 118.700 0.134 0.000 2.223 413 N HA -0.122 4.618 4.740 0.001 0.000 0.185 413 N C 1.559 177.096 175.510 0.045 0.000 1.016 413 N CA 0.874 53.973 53.050 0.082 0.000 0.863 413 N CB -0.114 38.419 38.487 0.077 0.000 0.983 413 N HN 0.234 nan 8.380 nan 0.000 0.429 414 I N 0.569 121.180 120.570 0.068 0.000 2.277 414 I HA -0.084 4.087 4.170 0.001 0.000 0.243 414 I C 2.197 178.316 176.117 0.003 0.000 1.094 414 I CA 0.528 61.857 61.300 0.048 0.000 1.393 414 I CB -1.077 36.955 38.000 0.054 0.000 1.078 414 I HN 0.085 nan 8.210 nan 0.000 0.417 415 L N 0.405 121.634 121.223 0.011 0.000 1.989 415 L HA -0.249 4.092 4.340 0.001 0.000 0.211 415 L C 2.643 179.484 176.870 -0.049 0.000 1.071 415 L CA 1.562 56.397 54.840 -0.009 0.000 0.749 415 L CB -0.574 41.492 42.059 0.013 0.000 0.890 415 L HN 0.197 nan 8.230 nan 0.000 0.431 416 E N 0.410 120.582 120.200 -0.046 0.000 2.085 416 E HA -0.212 4.139 4.350 0.001 0.000 0.194 416 E C 2.070 178.562 176.600 -0.179 0.000 0.994 416 E CA 1.635 57.986 56.400 -0.081 0.000 0.801 416 E CB -0.190 29.483 29.700 -0.044 0.000 0.743 416 E HN 0.391 nan 8.360 nan 0.000 0.453 417 A N -0.389 122.294 122.820 -0.227 0.000 1.972 417 A HA -0.182 4.139 4.320 0.001 0.000 0.219 417 A C 2.596 179.682 177.584 -0.829 0.000 1.169 417 A CA 1.475 53.212 52.037 -0.500 0.000 0.635 417 A CB -0.894 17.879 19.000 -0.379 0.000 0.810 417 A HN 0.471 nan 8.150 nan 0.000 0.446 418 C N -0.479 118.586 119.300 -0.393 0.000 2.466 418 C HA -0.038 4.423 4.460 0.001 0.000 0.278 418 C C 2.888 177.772 174.990 -0.177 0.000 1.288 418 C CA 0.996 59.885 59.018 -0.214 0.000 1.722 418 C CB -1.201 26.526 27.740 -0.022 0.000 2.017 418 C HN 0.846 nan 8.230 nan 0.000 0.488 419 R N 1.472 121.882 120.500 -0.150 0.000 2.105 419 R HA -0.114 4.227 4.340 0.001 0.000 0.239 419 R C 2.007 178.224 176.300 -0.138 0.000 1.135 419 R CA 1.651 57.688 56.100 -0.106 0.000 0.967 419 R CB -0.583 29.674 30.300 -0.072 0.000 0.861 419 R HN 0.408 nan 8.270 nan 0.000 0.442 420 R N -0.461 119.896 120.500 -0.239 0.000 2.152 420 R HA -0.045 4.296 4.340 0.001 0.000 0.232 420 R C 1.639 177.822 176.300 -0.195 0.000 1.117 420 R CA 1.391 57.342 56.100 -0.249 0.000 0.981 420 R CB -0.229 29.886 30.300 -0.309 0.000 0.870 420 R HN 0.226 nan 8.270 nan 0.000 0.451 421 F N 0.787 120.663 119.950 -0.123 0.000 2.187 421 F HA -0.021 4.507 4.527 0.001 0.000 0.295 421 F C 1.959 177.693 175.800 -0.111 0.000 1.091 421 F CA 0.894 58.806 58.000 -0.148 0.000 1.308 421 F CB -0.461 38.365 39.000 -0.289 0.000 1.030 421 F HN -0.134 nan 8.300 nan 0.000 0.487 422 K N -0.133 120.312 120.400 0.076 0.000 1.991 422 K HA -0.223 4.097 4.320 0.001 0.000 0.212 422 K C 2.087 178.704 176.600 0.029 0.000 1.049 422 K CA 1.493 57.810 56.287 0.050 0.000 0.932 422 K CB -0.400 32.107 32.500 0.012 0.000 0.717 422 K HN 0.063 nan 8.250 nan 0.000 0.441 423 Q N 0.887 120.678 119.800 -0.016 0.000 1.992 423 Q HA -0.276 4.065 4.340 0.001 0.000 0.216 423 Q C 2.043 178.010 176.000 -0.056 0.000 1.047 423 Q CA 1.680 57.459 55.803 -0.039 0.000 0.899 423 Q CB -1.086 27.610 28.738 -0.069 0.000 1.021 423 Q HN 0.351 nan 8.270 nan 0.000 0.421 424 L N -0.914 120.233 121.223 -0.128 0.000 2.081 424 L HA -0.183 4.158 4.340 0.001 0.000 0.212 424 L C 0.170 176.877 176.870 -0.272 0.000 1.080 424 L CA 1.392 56.053 54.840 -0.299 0.000 0.754 424 L CB -0.076 41.652 42.059 -0.552 0.000 0.893 424 L HN 0.184 nan 8.230 nan 0.000 0.433 425 Y N -0.148 120.218 120.300 0.109 0.000 2.446 425 Y HA 0.327 4.877 4.550 0.001 0.000 0.338 425 Y C 0.708 176.670 175.900 0.103 0.000 1.055 425 Y CA -1.626 56.569 58.100 0.158 0.000 1.101 425 Y CB 0.726 39.356 38.460 0.282 0.000 1.221 425 Y HN -0.081 nan 8.280 nan 0.000 0.460 426 K N 0.000 120.581 120.400 0.302 0.000 2.780 426 K HA 0.000 4.321 4.320 0.001 0.000 0.191 426 K CA 0.000 56.374 56.287 0.145 0.000 0.838 426 K CB 0.000 32.532 32.500 0.053 0.000 1.064 426 K HN 0.000 nan 8.250 nan 0.000 0.543