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 2q14_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERKIINDPVF GFINIPKGLL YDIVRHPLLQ RLTRIKQVGL SSVVYPGAQH DATA SEQUENCE TRFQHSLGAF YLXSEAITQL TSKGNFIFDS EAEAVQAAIL LHDIGHGPFS DATA SEQUENCE HVLEDTIVQG VSHEEISLXL XERXNKEXNG QLSLAIQIFK DEYPKRFLHQ DATA SEQUENCE LVSGQLDXDR LDYLRRDSFY TGVTEGNIGS ARIIKXLDVA DDRLVIESKG DATA SEQUENCE IYSIENFLTA RRLXYWQVYL HKTSVAYERX LISTLLRAKE LASQGVELFA DATA SEQUENCE SPALHFFLYN DINHTEFHNN PDCLENFIQL DDNDIWTALK VWSNHPDKVL DATA SEQUENCE STLSLGXINR NIFKVENSAE PIGEDRIKEL TLQISQQLGI TLSEANYFVS DATA SEQUENCE TPSIEKNXYD PADDSIDIIY KDGTIKNIAE ASDXLNISLL SKKVKKYYLC DATA SEQUENCE YQR 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.557 176.600 -0.071 0.000 1.382 4 E CA 0.000 56.364 56.400 -0.060 0.000 0.976 4 E CB 0.000 29.651 29.700 -0.082 0.000 0.812 5 R N -0.665 119.782 120.500 -0.088 0.000 2.686 5 R HA 0.879 5.218 4.340 -0.001 0.000 0.283 5 R C -0.608 175.602 176.300 -0.149 0.000 0.978 5 R CA -0.666 55.377 56.100 -0.095 0.000 0.897 5 R CB 0.725 31.004 30.300 -0.036 0.000 1.192 5 R HN 0.793 nan 8.270 nan 0.000 0.457 6 K N 2.064 122.336 120.400 -0.214 0.000 2.143 6 K HA 0.573 4.893 4.320 -0.001 0.000 0.272 6 K C 0.076 176.628 176.600 -0.080 0.000 1.001 6 K CA -0.748 55.400 56.287 -0.232 0.000 0.915 6 K CB 1.168 33.356 32.500 -0.519 0.000 1.047 6 K HN 0.606 nan 8.250 nan 0.000 0.458 7 I N 2.860 123.388 120.570 -0.070 0.000 2.406 7 I HA 0.465 4.635 4.170 -0.001 0.000 0.290 7 I C -0.100 176.043 176.117 0.044 0.000 0.999 7 I CA -0.792 60.483 61.300 -0.042 0.000 1.124 7 I CB 1.365 39.227 38.000 -0.230 0.000 1.289 7 I HN 0.569 nan 8.210 nan 0.000 0.441 8 I N 5.572 126.223 120.570 0.134 0.000 2.465 8 I HA 0.279 4.449 4.170 -0.001 0.000 0.291 8 I C -0.199 176.049 176.117 0.217 0.000 1.014 8 I CA -0.767 60.637 61.300 0.174 0.000 1.093 8 I CB 1.994 40.111 38.000 0.195 0.000 1.267 8 I HN 0.464 nan 8.210 nan 0.000 0.431 9 N N 3.929 122.757 118.700 0.213 0.000 2.530 9 N HA 0.262 5.002 4.740 -0.001 0.000 0.273 9 N C -0.955 174.622 175.510 0.111 0.000 1.173 9 N CA -0.049 53.121 53.050 0.199 0.000 0.967 9 N CB 0.638 39.230 38.487 0.174 0.000 1.109 9 N HN 0.465 nan 8.380 nan 0.000 0.453 10 D N 1.376 121.797 120.400 0.034 0.000 2.686 10 D HA 0.268 4.907 4.640 -0.001 0.000 0.249 10 D C -2.111 174.103 176.300 -0.143 0.000 1.260 10 D CA -2.131 51.851 54.000 -0.030 0.000 0.910 10 D CB 1.682 42.463 40.800 -0.032 0.000 1.323 10 D HN 0.202 nan 8.370 nan 0.000 0.561 11 P HA -0.137 nan 4.420 nan 0.000 0.219 11 P C 1.450 178.439 177.300 -0.518 0.000 1.146 11 P CA 0.497 63.452 63.100 -0.242 0.000 0.808 11 P CB 0.510 32.117 31.700 -0.155 0.000 0.779 12 V N -1.498 117.949 119.914 -0.780 0.000 2.307 12 V HA -0.151 3.968 4.120 -0.001 0.000 0.245 12 V C 2.069 177.687 176.094 -0.793 0.000 1.045 12 V CA 1.815 63.473 62.300 -1.071 0.000 1.024 12 V CB -1.030 30.071 31.823 -1.203 0.000 0.651 12 V HN -0.046 nan 8.190 nan 0.000 0.449 13 F N -0.924 118.817 119.950 -0.348 0.000 2.746 13 F HA 0.593 5.120 4.527 -0.001 0.000 0.313 13 F C 1.329 176.847 175.800 -0.470 0.000 1.095 13 F CA 0.361 58.100 58.000 -0.434 0.000 1.224 13 F CB 0.345 38.919 39.000 -0.709 0.000 1.060 13 F HN 0.276 nan 8.300 nan 0.000 0.584 14 G N 0.443 109.108 108.800 -0.225 0.000 2.516 14 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.220 14 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.220 14 G C -0.766 174.047 174.900 -0.145 0.000 1.165 14 G CA -0.942 44.002 45.100 -0.260 0.000 1.013 14 G HN -0.142 nan 8.290 nan 0.000 0.590 15 F N 1.669 121.590 119.950 -0.049 0.000 2.506 15 F HA 0.554 5.080 4.527 -0.001 0.000 0.371 15 F C 1.252 177.074 175.800 0.036 0.000 1.078 15 F CA -0.569 57.436 58.000 0.008 0.000 1.195 15 F CB 0.373 39.400 39.000 0.045 0.000 1.099 15 F HN 0.325 nan 8.300 nan 0.000 0.548 16 I N 4.311 125.051 120.570 0.284 0.000 2.339 16 I HA 0.185 4.355 4.170 -0.001 0.000 0.290 16 I C 0.102 176.399 176.117 0.300 0.000 0.994 16 I CA -0.581 60.912 61.300 0.321 0.000 1.191 16 I CB 1.043 39.218 38.000 0.290 0.000 1.343 16 I HN 0.457 nan 8.210 nan 0.000 0.458 17 N N 8.103 126.998 118.700 0.324 0.000 2.426 17 N HA 0.444 5.184 4.740 -0.001 0.000 0.257 17 N C -1.092 174.612 175.510 0.324 0.000 1.002 17 N CA -0.325 52.862 53.050 0.227 0.000 0.942 17 N CB 1.171 39.752 38.487 0.157 0.000 1.112 17 N HN 0.478 nan 8.380 nan 0.000 0.499 18 I N 4.977 125.673 120.570 0.211 0.000 2.382 18 I HA 0.318 4.488 4.170 -0.001 0.000 0.285 18 I C -2.194 173.987 176.117 0.108 0.000 1.007 18 I CA -2.167 59.247 61.300 0.191 0.000 1.142 18 I CB 1.919 39.989 38.000 0.118 0.000 1.289 18 I HN 0.255 nan 8.210 nan 0.000 0.453 19 P HA 0.103 nan 4.420 nan 0.000 0.268 19 P C 0.011 177.347 177.300 0.061 0.000 1.204 19 P CA -0.121 63.027 63.100 0.080 0.000 0.768 19 P CB 0.336 32.100 31.700 0.106 0.000 0.842 20 K N 2.052 122.454 120.400 0.004 0.000 2.414 20 K HA 0.503 4.822 4.320 -0.001 0.000 0.272 20 K C 0.984 177.622 176.600 0.064 0.000 0.993 20 K CA 0.475 56.773 56.287 0.017 0.000 0.964 20 K CB -0.771 31.708 32.500 -0.035 0.000 0.925 20 K HN 0.943 nan 8.250 nan 0.000 0.487 21 G N -0.352 108.505 108.800 0.097 0.000 2.358 21 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.198 21 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.198 21 G C 0.719 175.665 174.900 0.076 0.000 1.220 21 G CA 0.428 45.573 45.100 0.075 0.000 1.187 21 G HN 1.627 nan 8.290 nan 0.000 0.544 22 L N 0.968 122.221 121.223 0.050 0.000 2.013 22 L HA 0.081 4.420 4.340 -0.001 0.000 0.212 22 L C 2.831 179.713 176.870 0.020 0.000 1.073 22 L CA 3.003 57.861 54.840 0.030 0.000 0.753 22 L CB -0.776 41.295 42.059 0.020 0.000 0.890 22 L HN 0.583 nan 8.230 nan 0.000 0.432 23 L N -2.363 118.880 121.223 0.033 0.000 2.027 23 L HA -0.226 4.114 4.340 -0.001 0.000 0.206 23 L C 2.480 179.327 176.870 -0.037 0.000 1.074 23 L CA 1.337 56.163 54.840 -0.023 0.000 0.745 23 L CB -0.843 41.217 42.059 0.003 0.000 0.898 23 L HN 0.284 nan 8.230 nan 0.000 0.433 24 Y N 1.203 121.456 120.300 -0.077 0.000 2.242 24 Y HA -0.253 4.296 4.550 -0.001 0.000 0.291 24 Y C 2.243 178.131 175.900 -0.020 0.000 1.137 24 Y CA 1.400 59.466 58.100 -0.056 0.000 1.181 24 Y CB -0.246 38.199 38.460 -0.024 0.000 0.989 24 Y HN 0.233 nan 8.280 nan 0.000 0.527 25 D N 0.039 120.437 120.400 -0.004 0.000 2.117 25 D HA -0.203 4.436 4.640 -0.001 0.000 0.197 25 D C 2.303 178.566 176.300 -0.062 0.000 0.987 25 D CA 1.762 55.739 54.000 -0.039 0.000 0.829 25 D CB -0.359 40.456 40.800 0.024 0.000 0.961 25 D HN 0.417 nan 8.370 nan 0.000 0.460 26 I N 0.286 120.809 120.570 -0.078 0.000 2.179 26 I HA -0.231 3.938 4.170 -0.001 0.000 0.242 26 I C 2.398 178.467 176.117 -0.080 0.000 1.088 26 I CA 0.644 61.893 61.300 -0.086 0.000 1.357 26 I CB -0.259 37.673 38.000 -0.112 0.000 1.051 26 I HN -0.106 nan 8.210 nan 0.000 0.409 27 V N 1.715 121.528 119.914 -0.168 0.000 2.392 27 V HA -0.257 3.862 4.120 -0.001 0.000 0.249 27 V C 2.452 178.486 176.094 -0.101 0.000 1.059 27 V CA 2.274 64.490 62.300 -0.140 0.000 1.051 27 V CB -0.922 30.773 31.823 -0.213 0.000 0.658 27 V HN 0.559 nan 8.190 nan 0.000 0.455 28 R N -0.546 119.779 120.500 -0.292 0.000 2.310 28 R HA 0.013 4.352 4.340 -0.001 0.000 0.202 28 R C 1.172 177.417 176.300 -0.092 0.000 0.933 28 R CA 0.035 55.987 56.100 -0.247 0.000 1.054 28 R CB -0.369 29.676 30.300 -0.426 0.000 0.985 28 R HN 0.532 nan 8.270 nan 0.000 0.489 29 H N 2.245 121.249 119.070 -0.111 0.000 2.815 29 H HA 0.064 4.620 4.556 -0.001 0.000 0.350 29 H C -1.643 173.660 175.328 -0.042 0.000 1.080 29 H CA -1.326 54.682 56.048 -0.066 0.000 1.433 29 H CB 1.684 31.414 29.762 -0.052 0.000 1.432 29 H HN -0.092 nan 8.280 nan 0.000 0.592 30 P HA -0.159 nan 4.420 nan 0.000 0.217 30 P C 1.637 178.950 177.300 0.022 0.000 1.148 30 P CA 1.110 64.118 63.100 -0.155 0.000 0.828 30 P CB 0.204 31.759 31.700 -0.242 0.000 0.783 31 L N -2.294 119.066 121.223 0.229 0.000 2.217 31 L HA -0.109 4.231 4.340 -0.001 0.000 0.211 31 L C 2.187 179.147 176.870 0.149 0.000 1.107 31 L CA 0.797 55.762 54.840 0.208 0.000 0.783 31 L CB -0.565 41.638 42.059 0.240 0.000 0.919 31 L HN 0.024 nan 8.230 nan 0.000 0.442 32 L N -1.041 120.284 121.223 0.169 0.000 2.202 32 L HA -0.048 4.291 4.340 -0.001 0.000 0.205 32 L C 2.559 179.558 176.870 0.215 0.000 1.083 32 L CA 1.211 56.157 54.840 0.177 0.000 0.790 32 L CB -0.393 41.761 42.059 0.159 0.000 0.942 32 L HN 0.130 nan 8.230 nan 0.000 0.452 33 Q N 0.193 120.046 119.800 0.088 0.000 2.234 33 Q HA -0.232 4.108 4.340 -0.001 0.000 0.206 33 Q C 2.166 178.115 176.000 -0.086 0.000 0.980 33 Q CA 1.666 57.418 55.803 -0.085 0.000 0.869 33 Q CB -0.408 28.255 28.738 -0.125 0.000 0.912 33 Q HN 0.626 nan 8.270 nan 0.000 0.436 34 R N 0.238 120.731 120.500 -0.012 0.000 2.189 34 R HA -0.030 4.309 4.340 -0.001 0.000 0.223 34 R C 1.881 178.179 176.300 -0.004 0.000 1.092 34 R CA 0.709 56.797 56.100 -0.019 0.000 0.989 34 R CB -0.446 29.853 30.300 -0.002 0.000 0.876 34 R HN 0.201 nan 8.270 nan 0.000 0.457 35 L N 2.238 123.496 121.223 0.057 0.000 2.551 35 L HA -0.043 4.297 4.340 -0.001 0.000 0.228 35 L C 2.188 179.108 176.870 0.082 0.000 1.153 35 L CA 1.354 56.247 54.840 0.089 0.000 0.851 35 L CB -0.595 41.565 42.059 0.167 0.000 0.959 35 L HN 0.432 nan 8.230 nan 0.000 0.451 36 T N -2.952 111.590 114.554 -0.020 0.000 3.007 36 T HA -0.154 4.196 4.350 -0.001 0.000 0.270 36 T C 1.649 176.304 174.700 -0.074 0.000 1.107 36 T CA 0.768 62.801 62.100 -0.112 0.000 1.118 36 T CB -0.134 68.539 68.868 -0.325 0.000 0.889 36 T HN 0.363 nan 8.240 nan 0.000 0.506 37 R N 0.071 120.535 120.500 -0.059 0.000 2.577 37 R HA 0.481 4.821 4.340 -0.001 0.000 0.344 37 R C -0.492 175.774 176.300 -0.056 0.000 1.037 37 R CA -0.146 55.923 56.100 -0.052 0.000 1.102 37 R CB 0.545 30.818 30.300 -0.045 0.000 1.313 37 R HN 0.424 nan 8.270 nan 0.000 0.561 38 I N 1.817 122.345 120.570 -0.071 0.000 2.439 38 I HA 0.246 4.415 4.170 -0.001 0.000 0.285 38 I C -0.261 175.761 176.117 -0.158 0.000 1.021 38 I CA -1.111 60.114 61.300 -0.124 0.000 1.091 38 I CB 1.670 39.604 38.000 -0.110 0.000 1.242 38 I HN -0.254 nan 8.210 nan 0.000 0.439 39 K N 4.193 124.461 120.400 -0.220 0.000 2.355 39 K HA 0.042 4.361 4.320 -0.001 0.000 0.270 39 K C 0.713 177.121 176.600 -0.321 0.000 1.003 39 K CA -0.049 56.081 56.287 -0.262 0.000 0.957 39 K CB 1.106 33.457 32.500 -0.248 0.000 0.939 39 K HN 0.513 nan 8.250 nan 0.000 0.482 40 Q N 1.639 121.211 119.800 -0.379 0.000 2.050 40 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 40 Q C 0.581 176.356 176.000 -0.373 0.000 0.980 40 Q CA 1.473 57.045 55.803 -0.385 0.000 0.840 40 Q CB 0.287 28.820 28.738 -0.341 0.000 0.898 40 Q HN 0.444 nan 8.270 nan 0.000 0.424 41 V N -2.824 116.874 119.914 -0.361 0.000 2.405 41 V HA 0.593 4.712 4.120 -0.001 0.000 0.253 41 V C 0.894 176.939 176.094 -0.083 0.000 0.963 41 V CA -0.046 62.150 62.300 -0.175 0.000 1.003 41 V CB 0.244 32.048 31.823 -0.031 0.000 1.251 41 V HN 0.186 nan 8.190 nan 0.000 0.520 42 G N 1.645 110.382 108.800 -0.105 0.000 2.448 42 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.219 42 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.219 42 G C 1.039 176.135 174.900 0.326 0.000 1.127 42 G CA 0.963 46.074 45.100 0.019 0.000 0.766 42 G HN 0.623 nan 8.290 nan 0.000 0.552 43 L N 0.500 121.923 121.223 0.333 0.000 2.591 43 L HA 0.154 4.493 4.340 -0.001 0.000 0.228 43 L C 2.482 179.510 176.870 0.263 0.000 1.133 43 L CA 0.109 55.204 54.840 0.424 0.000 0.880 43 L CB 0.301 42.594 42.059 0.391 0.000 1.033 43 L HN 0.108 nan 8.230 nan 0.000 0.450 44 S N -0.773 115.041 115.700 0.190 0.000 2.486 44 S HA -0.070 4.399 4.470 -0.001 0.000 0.220 44 S C 2.134 176.823 174.600 0.148 0.000 1.011 44 S CA 0.882 59.189 58.200 0.179 0.000 0.921 44 S CB 0.182 63.507 63.200 0.208 0.000 0.785 44 S HN 0.561 nan 8.310 nan 0.000 0.517 45 S N 1.252 117.023 115.700 0.118 0.000 2.442 45 S HA -0.033 4.436 4.470 -0.001 0.000 0.236 45 S C 1.763 176.340 174.600 -0.039 0.000 1.007 45 S CA 0.833 59.076 58.200 0.071 0.000 0.965 45 S CB -0.646 62.593 63.200 0.065 0.000 0.773 45 S HN 0.261 nan 8.310 nan 0.000 0.504 46 V N 0.914 120.752 119.914 -0.127 0.000 2.594 46 V HA -0.073 4.046 4.120 -0.001 0.000 0.253 46 V C 2.161 178.070 176.094 -0.307 0.000 1.069 46 V CA 1.713 63.823 62.300 -0.317 0.000 1.082 46 V CB -0.165 31.202 31.823 -0.761 0.000 0.680 46 V HN 0.552 nan 8.190 nan 0.000 0.469 47 V N -1.650 118.062 119.914 -0.337 0.000 2.672 47 V HA 0.137 4.257 4.120 -0.001 0.000 0.242 47 V C 0.378 176.089 176.094 -0.638 0.000 1.059 47 V CA 0.435 62.371 62.300 -0.606 0.000 1.081 47 V CB -0.156 31.034 31.823 -1.054 0.000 0.752 47 V HN 0.526 nan 8.190 nan 0.000 0.472 48 Y N 0.279 120.514 120.300 -0.108 0.000 2.686 48 Y HA 0.427 4.977 4.550 -0.001 0.000 0.331 48 Y C -1.943 173.949 175.900 -0.013 0.000 0.996 48 Y CA -2.605 55.467 58.100 -0.047 0.000 1.293 48 Y CB 0.784 39.235 38.460 -0.015 0.000 1.092 48 Y HN 0.123 nan 8.280 nan 0.000 0.524 49 P HA -0.141 nan 4.420 nan 0.000 0.221 49 P C 1.633 178.990 177.300 0.095 0.000 1.145 49 P CA 1.499 64.627 63.100 0.046 0.000 0.795 49 P CB 0.346 32.050 31.700 0.007 0.000 0.775 50 G N -0.013 108.870 108.800 0.138 0.000 2.598 50 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.215 50 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.215 50 G C 0.952 176.045 174.900 0.322 0.000 1.131 50 G CA 0.381 45.593 45.100 0.188 0.000 0.785 50 G HN 0.392 nan 8.290 nan 0.000 0.539 51 A N 0.557 123.542 122.820 0.276 0.000 3.077 51 A HA 0.403 4.722 4.320 -0.001 0.000 0.255 51 A C 1.386 179.040 177.584 0.118 0.000 1.728 51 A CA -0.151 52.073 52.037 0.311 0.000 1.383 51 A CB -0.061 19.087 19.000 0.247 0.000 1.097 51 A HN 0.235 nan 8.150 nan 0.000 0.634 52 Q N 0.976 120.871 119.800 0.158 0.000 2.282 52 Q HA 0.032 4.371 4.340 -0.001 0.000 0.206 52 Q C 0.271 176.191 176.000 -0.134 0.000 0.878 52 Q CA 0.084 55.891 55.803 0.007 0.000 0.944 52 Q CB -0.064 28.725 28.738 0.084 0.000 1.100 52 Q HN 0.980 nan 8.270 nan 0.000 0.509 53 H N 0.533 119.373 119.070 -0.383 0.000 2.790 53 H HA 0.221 4.777 4.556 -0.001 0.000 0.358 53 H C 0.214 175.401 175.328 -0.234 0.000 1.103 53 H CA 0.359 56.097 56.048 -0.516 0.000 1.426 53 H CB 0.115 29.295 29.762 -0.971 0.000 1.424 53 H HN -0.096 nan 8.280 nan 0.000 0.599 54 T N -0.357 114.138 114.554 -0.099 0.000 2.943 54 T HA 0.314 4.664 4.350 -0.001 0.000 0.284 54 T C 1.226 175.937 174.700 0.019 0.000 1.015 54 T CA -1.128 60.938 62.100 -0.057 0.000 1.042 54 T CB 1.732 70.617 68.868 0.027 0.000 1.055 54 T HN 0.651 nan 8.240 nan 0.000 0.500 55 R N -0.288 120.211 120.500 -0.002 0.000 2.152 55 R HA -0.017 4.322 4.340 -0.001 0.000 0.232 55 R C 1.793 178.181 176.300 0.148 0.000 1.117 55 R CA 1.122 57.254 56.100 0.054 0.000 0.981 55 R CB -0.528 29.757 30.300 -0.025 0.000 0.870 55 R HN 0.706 nan 8.270 nan 0.000 0.451 56 F N 2.104 122.064 119.950 0.017 0.000 2.102 56 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 56 F C 2.274 178.108 175.800 0.056 0.000 1.105 56 F CA 1.605 59.619 58.000 0.024 0.000 1.239 56 F CB -0.110 38.891 39.000 0.001 0.000 0.991 56 F HN -0.068 nan 8.300 nan 0.000 0.474 57 Q N -1.095 118.810 119.800 0.175 0.000 2.096 57 Q HA -0.309 4.030 4.340 -0.001 0.000 0.204 57 Q C 2.136 178.185 176.000 0.083 0.000 0.982 57 Q CA 1.989 57.850 55.803 0.097 0.000 0.850 57 Q CB -0.573 28.240 28.738 0.126 0.000 0.901 57 Q HN 0.624 nan 8.270 nan 0.000 0.422 58 H N 0.228 119.340 119.070 0.071 0.000 2.353 58 H HA -0.099 4.456 4.556 -0.001 0.000 0.300 58 H C 2.214 177.635 175.328 0.155 0.000 1.090 58 H CA 1.910 58.040 56.048 0.136 0.000 1.327 58 H CB -0.249 29.599 29.762 0.144 0.000 1.383 58 H HN 0.170 nan 8.280 nan 0.000 0.508 59 S N -0.524 115.075 115.700 -0.169 0.000 2.348 59 S HA -0.131 4.339 4.470 -0.001 0.000 0.221 59 S C 2.143 176.672 174.600 -0.119 0.000 1.033 59 S CA 1.380 59.486 58.200 -0.158 0.000 1.010 59 S CB -0.517 62.603 63.200 -0.132 0.000 0.891 59 S HN 0.340 nan 8.310 nan 0.000 0.442 60 L N 1.840 122.942 121.223 -0.202 0.000 2.083 60 L HA 0.127 4.466 4.340 -0.001 0.000 0.209 60 L C 2.727 179.688 176.870 0.152 0.000 1.083 60 L CA 1.790 56.586 54.840 -0.073 0.000 0.752 60 L CB -1.454 40.482 42.059 -0.204 0.000 0.899 60 L HN 0.524 nan 8.230 nan 0.000 0.433 61 G N -1.473 107.399 108.800 0.119 0.000 2.404 61 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.215 61 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.215 61 G C 1.695 176.712 174.900 0.194 0.000 1.174 61 G CA 0.698 45.959 45.100 0.268 0.000 0.780 61 G HN 0.482 nan 8.290 nan 0.000 0.537 62 A N 0.385 123.227 122.820 0.037 0.000 1.933 62 A HA 0.029 4.349 4.320 -0.001 0.000 0.218 62 A C 2.161 179.739 177.584 -0.011 0.000 1.175 62 A CA 1.636 53.648 52.037 -0.042 0.000 0.628 62 A CB -0.544 18.347 19.000 -0.181 0.000 0.814 62 A HN 0.467 nan 8.150 nan 0.000 0.444 63 F N -0.810 119.104 119.950 -0.061 0.000 2.146 63 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 63 F C 2.084 177.863 175.800 -0.035 0.000 1.096 63 F CA 1.841 59.813 58.000 -0.046 0.000 1.275 63 F CB -0.536 38.445 39.000 -0.031 0.000 1.008 63 F HN 0.374 nan 8.300 nan 0.000 0.480 64 Y N 1.296 121.508 120.300 -0.145 0.000 2.128 64 Y HA -0.114 4.436 4.550 -0.001 0.000 0.284 64 Y C 0.955 176.618 175.900 -0.396 0.000 1.154 64 Y CA 1.310 59.246 58.100 -0.274 0.000 1.149 64 Y CB -0.617 37.786 38.460 -0.096 0.000 0.976 64 Y HN -0.010 nan 8.280 nan 0.000 0.505 68 E N 2.734 122.611 120.200 -0.538 0.000 2.077 68 E HA 0.018 4.368 4.350 -0.001 0.000 0.193 68 E C 2.185 178.606 176.600 -0.298 0.000 0.989 68 E CA 1.324 57.464 56.400 -0.434 0.000 0.800 68 E CB -0.398 28.975 29.700 -0.545 0.000 0.746 68 E HN 0.532 nan 8.360 nan 0.000 0.452 69 A N 1.405 124.055 122.820 -0.284 0.000 1.908 69 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 69 A C 2.357 179.853 177.584 -0.146 0.000 1.181 69 A CA 1.225 53.145 52.037 -0.195 0.000 0.627 69 A CB -0.724 18.175 19.000 -0.170 0.000 0.818 69 A HN 0.162 nan 8.150 nan 0.000 0.445 70 I N -0.481 119.997 120.570 -0.153 0.000 2.163 70 I HA -0.254 3.915 4.170 -0.001 0.000 0.243 70 I C 2.636 178.681 176.117 -0.122 0.000 1.085 70 I CA 1.865 63.100 61.300 -0.108 0.000 1.347 70 I CB -0.642 37.287 38.000 -0.119 0.000 1.044 70 I HN 0.262 nan 8.210 nan 0.000 0.408 71 T N -0.417 114.046 114.554 -0.151 0.000 2.720 71 T HA -0.284 4.066 4.350 -0.001 0.000 0.268 71 T C 1.832 176.455 174.700 -0.128 0.000 1.037 71 T CA 1.612 63.628 62.100 -0.140 0.000 1.144 71 T CB -0.239 68.538 68.868 -0.151 0.000 0.864 71 T HN 0.256 nan 8.240 nan 0.000 0.444 72 Q N 0.551 120.269 119.800 -0.136 0.000 2.049 72 Q HA 0.113 4.453 4.340 -0.001 0.000 0.198 72 Q C 2.151 178.079 176.000 -0.119 0.000 0.971 72 Q CA 1.249 56.977 55.803 -0.125 0.000 0.833 72 Q CB -0.528 28.129 28.738 -0.136 0.000 0.896 72 Q HN 0.491 nan 8.270 nan 0.000 0.434 73 L N -0.030 121.123 121.223 -0.118 0.000 2.046 73 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 73 L C 2.456 179.255 176.870 -0.118 0.000 1.077 73 L CA 1.761 56.526 54.840 -0.124 0.000 0.747 73 L CB -0.996 41.003 42.059 -0.101 0.000 0.896 73 L HN 0.438 nan 8.230 nan 0.000 0.432 74 T N -3.442 111.045 114.554 -0.113 0.000 2.788 74 T HA -0.185 4.165 4.350 -0.001 0.000 0.268 74 T C 2.005 176.633 174.700 -0.120 0.000 1.044 74 T CA 1.279 63.298 62.100 -0.135 0.000 1.139 74 T CB -0.589 68.175 68.868 -0.173 0.000 0.867 74 T HN 0.421 nan 8.240 nan 0.000 0.454 75 S N 1.472 117.107 115.700 -0.108 0.000 2.474 75 S HA 0.010 4.480 4.470 -0.001 0.000 0.235 75 S C 1.670 176.221 174.600 -0.083 0.000 0.997 75 S CA 0.412 58.557 58.200 -0.091 0.000 0.949 75 S CB -0.498 62.650 63.200 -0.086 0.000 0.766 75 S HN 0.621 nan 8.310 nan 0.000 0.517 76 K N 0.558 120.902 120.400 -0.093 0.000 2.446 76 K HA 0.331 4.650 4.320 -0.001 0.000 0.203 76 K C 0.856 177.407 176.600 -0.081 0.000 1.027 76 K CA 0.295 56.529 56.287 -0.087 0.000 1.166 76 K CB 0.200 32.639 32.500 -0.103 0.000 0.869 76 K HN 0.495 nan 8.250 nan 0.000 0.504 77 G N 1.862 110.618 108.800 -0.074 0.000 2.132 77 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.228 77 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.228 77 G C -0.649 174.228 174.900 -0.037 0.000 1.000 77 G CA -0.560 44.511 45.100 -0.048 0.000 0.693 77 G HN 0.317 nan 8.290 nan 0.000 0.515 78 N N 0.190 118.849 118.700 -0.068 0.000 2.426 78 N HA 0.392 5.132 4.740 -0.001 0.000 0.257 78 N C -0.604 174.917 175.510 0.020 0.000 1.002 78 N CA -0.377 52.646 53.050 -0.045 0.000 0.942 78 N CB 1.146 39.525 38.487 -0.180 0.000 1.112 78 N HN 0.139 nan 8.380 nan 0.000 0.499 79 F N 3.047 122.986 119.950 -0.017 0.000 2.506 79 F HA 0.286 4.813 4.527 0.000 0.000 0.371 79 F C 0.132 175.938 175.800 0.011 0.000 1.078 79 F CA -0.122 57.837 58.000 -0.068 0.000 1.195 79 F CB 0.298 39.210 39.000 -0.146 0.000 1.099 79 F HN 0.330 nan 8.300 nan 0.000 0.548 80 I N 7.314 127.743 120.570 -0.235 0.000 2.468 80 I HA 0.188 4.358 4.170 -0.001 0.000 0.285 80 I C -0.773 175.245 176.117 -0.165 0.000 1.039 80 I CA -0.673 60.621 61.300 -0.009 0.000 1.074 80 I CB 1.151 39.162 38.000 0.018 0.000 1.228 80 I HN 0.309 nan 8.210 nan 0.000 0.436 81 F N 3.997 124.054 119.950 0.177 0.000 2.450 81 F HA 0.067 4.594 4.527 -0.000 0.000 0.339 81 F C 1.660 177.485 175.800 0.042 0.000 1.146 81 F CA 0.220 58.322 58.000 0.170 0.000 1.267 81 F CB 0.456 39.602 39.000 0.243 0.000 1.178 81 F HN 0.500 nan 8.300 nan 0.000 0.585 82 D N 0.096 120.637 120.400 0.236 0.000 2.158 82 D HA -0.186 4.453 4.640 -0.001 0.000 0.197 82 D C 2.280 178.644 176.300 0.107 0.000 0.995 82 D CA 1.953 56.025 54.000 0.119 0.000 0.846 82 D CB -0.426 40.436 40.800 0.103 0.000 0.941 82 D HN 0.496 nan 8.370 nan 0.000 0.456 83 S N 0.185 115.967 115.700 0.136 0.000 2.402 83 S HA -0.121 4.349 4.470 -0.001 0.000 0.229 83 S C 1.796 176.417 174.600 0.035 0.000 1.021 83 S CA 0.748 58.987 58.200 0.065 0.000 0.974 83 S CB -0.267 62.953 63.200 0.032 0.000 0.800 83 S HN 0.301 nan 8.310 nan 0.000 0.484 84 E N 1.841 122.092 120.200 0.084 0.000 2.072 84 E HA 0.057 4.407 4.350 -0.001 0.000 0.190 84 E C 2.498 179.094 176.600 -0.006 0.000 0.982 84 E CA 0.854 57.261 56.400 0.012 0.000 0.803 84 E CB -0.445 29.319 29.700 0.107 0.000 0.755 84 E HN 0.669 nan 8.360 nan 0.000 0.453 85 A N 1.777 124.612 122.820 0.026 0.000 1.865 85 A HA -0.303 4.017 4.320 -0.001 0.000 0.217 85 A C 2.123 179.712 177.584 0.008 0.000 1.191 85 A CA 1.835 53.872 52.037 0.001 0.000 0.623 85 A CB -0.609 18.387 19.000 -0.007 0.000 0.826 85 A HN 0.255 nan 8.150 nan 0.000 0.444 86 E N -0.350 119.865 120.200 0.026 0.000 2.085 86 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 86 E C 2.200 178.818 176.600 0.030 0.000 0.994 86 E CA 1.146 57.572 56.400 0.042 0.000 0.801 86 E CB -0.254 29.469 29.700 0.039 0.000 0.743 86 E HN 0.552 nan 8.360 nan 0.000 0.453 87 A N 0.726 123.542 122.820 -0.007 0.000 1.877 87 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 87 A C 2.432 180.009 177.584 -0.011 0.000 1.186 87 A CA 1.933 53.951 52.037 -0.031 0.000 0.620 87 A CB -0.911 18.029 19.000 -0.101 0.000 0.822 87 A HN 0.310 nan 8.150 nan 0.000 0.443 88 V N -2.348 117.555 119.914 -0.018 0.000 2.427 88 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 88 V C 2.174 178.290 176.094 0.036 0.000 1.051 88 V CA 2.132 64.431 62.300 -0.002 0.000 1.048 88 V CB -1.329 30.475 31.823 -0.031 0.000 0.666 88 V HN 0.589 nan 8.190 nan 0.000 0.456 89 Q N 0.865 120.701 119.800 0.060 0.000 2.050 89 Q HA -0.086 4.253 4.340 -0.001 0.000 0.202 89 Q C 2.518 178.650 176.000 0.220 0.000 0.980 89 Q CA 2.044 57.953 55.803 0.177 0.000 0.840 89 Q CB -0.493 28.397 28.738 0.254 0.000 0.898 89 Q HN 0.759 nan 8.270 nan 0.000 0.424 90 A N 0.956 123.846 122.820 0.117 0.000 1.902 90 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 90 A C 2.288 179.897 177.584 0.041 0.000 1.181 90 A CA 1.572 53.639 52.037 0.052 0.000 0.623 90 A CB -0.837 18.170 19.000 0.011 0.000 0.818 90 A HN 0.410 nan 8.150 nan 0.000 0.443 91 A N -0.537 122.319 122.820 0.060 0.000 1.908 91 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 91 A C 2.089 179.761 177.584 0.147 0.000 1.181 91 A CA 1.820 53.912 52.037 0.091 0.000 0.627 91 A CB -0.505 18.594 19.000 0.165 0.000 0.818 91 A HN 0.528 nan 8.150 nan 0.000 0.445 92 I N -0.391 120.262 120.570 0.138 0.000 2.406 92 I HA -0.089 4.081 4.170 -0.001 0.000 0.249 92 I C 2.141 178.408 176.117 0.252 0.000 1.122 92 I CA 0.822 62.208 61.300 0.142 0.000 1.431 92 I CB -0.278 37.740 38.000 0.030 0.000 1.087 92 I HN 0.308 nan 8.210 nan 0.000 0.424 93 L N -0.531 120.790 121.223 0.163 0.000 2.127 93 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 93 L C 2.001 178.897 176.870 0.043 0.000 1.089 93 L CA 1.278 56.153 54.840 0.059 0.000 0.757 93 L CB -0.465 41.558 42.059 -0.060 0.000 0.899 93 L HN 0.244 nan 8.230 nan 0.000 0.434 94 L N -1.102 120.146 121.223 0.043 0.000 2.640 94 L HA 0.005 4.345 4.340 -0.001 0.000 0.230 94 L C 2.397 179.231 176.870 -0.059 0.000 1.123 94 L CA -0.181 54.630 54.840 -0.049 0.000 0.900 94 L CB -0.456 41.522 42.059 -0.134 0.000 1.146 94 L HN 0.397 nan 8.230 nan 0.000 0.484 95 H N -0.942 118.135 119.070 0.011 0.000 2.456 95 H HA -0.133 4.422 4.556 -0.001 0.000 0.296 95 H C 0.290 175.758 175.328 0.232 0.000 1.079 95 H CA 1.221 57.361 56.048 0.154 0.000 1.322 95 H CB 0.042 29.996 29.762 0.321 0.000 1.388 95 H HN 0.235 nan 8.280 nan 0.000 0.538 96 D N 0.300 120.439 120.400 -0.434 0.000 2.462 96 D HA 0.151 4.790 4.640 -0.001 0.000 0.221 96 D C 1.840 178.181 176.300 0.069 0.000 1.173 96 D CA -0.236 53.695 54.000 -0.114 0.000 0.831 96 D CB 0.065 40.733 40.800 -0.219 0.000 1.001 96 D HN 0.390 nan 8.370 nan 0.000 0.499 97 I N 0.189 120.762 120.570 0.005 0.000 2.454 97 I HA -0.116 4.053 4.170 -0.001 0.000 0.254 97 I C 1.813 177.991 176.117 0.102 0.000 1.156 97 I CA 0.961 62.286 61.300 0.041 0.000 1.433 97 I CB 0.345 38.340 38.000 -0.009 0.000 1.082 97 I HN 0.024 nan 8.210 nan 0.000 0.432 98 G N -0.330 108.522 108.800 0.087 0.000 2.920 98 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.208 98 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.208 98 G C 0.506 175.508 174.900 0.171 0.000 1.159 98 G CA -0.226 44.944 45.100 0.118 0.000 0.784 98 G HN 0.386 nan 8.290 nan 0.000 0.535 99 H N 0.672 119.840 119.070 0.163 0.000 2.848 99 H HA 0.306 4.861 4.556 -0.001 0.000 0.317 99 H C 0.879 176.289 175.328 0.138 0.000 1.046 99 H CA 0.568 56.686 56.048 0.117 0.000 1.470 99 H CB 1.393 31.117 29.762 -0.063 0.000 1.483 99 H HN 0.180 nan 8.280 nan 0.000 0.548 100 G N 3.719 112.686 108.800 0.279 0.000 2.557 100 G HA2 0.264 4.223 3.960 -0.001 0.000 0.302 100 G HA3 0.264 4.223 3.960 -0.001 0.000 0.302 100 G C -2.498 172.371 174.900 -0.052 0.000 1.311 100 G CA -1.409 43.632 45.100 -0.100 0.000 1.030 100 G HN 0.371 nan 8.290 nan 0.000 0.509 101 P HA 0.137 nan 4.420 nan 0.000 0.268 101 P C -0.531 176.773 177.300 0.007 0.000 1.205 101 P CA -0.010 63.011 63.100 -0.131 0.000 0.771 101 P CB 0.164 31.841 31.700 -0.037 0.000 0.858 102 F N 0.509 120.449 119.950 -0.016 0.000 2.783 102 F HA -0.261 4.265 4.527 -0.001 0.000 0.222 102 F C 1.781 177.619 175.800 0.064 0.000 1.028 102 F CA 0.975 58.983 58.000 0.013 0.000 0.862 102 F CB -2.666 36.263 39.000 -0.118 0.000 0.744 102 F HN 0.346 nan 8.300 nan 0.000 0.850 103 S N -0.080 115.778 115.700 0.262 0.000 2.370 103 S HA -0.308 4.162 4.470 -0.001 0.000 0.226 103 S C 2.062 176.820 174.600 0.264 0.000 1.033 103 S CA 1.603 59.966 58.200 0.272 0.000 1.011 103 S CB -0.570 62.848 63.200 0.364 0.000 0.852 103 S HN 0.774 nan 8.310 nan 0.000 0.457 104 H N 1.600 120.737 119.070 0.111 0.000 2.357 104 H HA 0.100 4.655 4.556 -0.001 0.000 0.301 104 H C 2.143 177.505 175.328 0.056 0.000 1.082 104 H CA 1.375 57.472 56.048 0.082 0.000 1.342 104 H CB -1.360 28.439 29.762 0.062 0.000 1.389 104 H HN 0.354 nan 8.280 nan 0.000 0.511 105 V N 1.935 121.554 119.914 -0.492 0.000 2.332 105 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 105 V C 3.145 179.157 176.094 -0.136 0.000 1.055 105 V CA 1.679 63.768 62.300 -0.352 0.000 1.038 105 V CB -0.703 30.895 31.823 -0.374 0.000 0.651 105 V HN 0.268 nan 8.190 nan 0.000 0.450 106 L N -0.213 120.982 121.223 -0.048 0.000 2.083 106 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 106 L C 2.570 179.429 176.870 -0.019 0.000 1.083 106 L CA 2.037 56.864 54.840 -0.021 0.000 0.752 106 L CB -0.625 41.449 42.059 0.025 0.000 0.899 106 L HN 0.441 nan 8.230 nan 0.000 0.433 107 E N 0.199 120.399 120.200 -0.000 0.000 2.153 107 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 107 E C 1.191 177.786 176.600 -0.008 0.000 0.988 107 E CA 1.199 57.594 56.400 -0.009 0.000 0.811 107 E CB 0.181 29.894 29.700 0.021 0.000 0.746 107 E HN 0.372 nan 8.360 nan 0.000 0.466 108 D N -0.830 119.559 120.400 -0.019 0.000 2.349 108 D HA -0.013 4.626 4.640 -0.001 0.000 0.215 108 D C 1.184 177.469 176.300 -0.025 0.000 1.016 108 D CA 1.120 55.107 54.000 -0.021 0.000 0.870 108 D CB 0.595 41.373 40.800 -0.036 0.000 0.917 108 D HN 0.365 nan 8.370 nan 0.000 0.524 109 T N -2.193 112.345 114.554 -0.027 0.000 3.349 109 T HA 0.110 4.459 4.350 -0.001 0.000 0.169 109 T C 1.660 176.362 174.700 0.004 0.000 0.938 109 T CA -0.167 61.919 62.100 -0.022 0.000 1.017 109 T CB -0.443 68.396 68.868 -0.048 0.000 1.476 109 T HN 0.058 nan 8.240 nan 0.000 0.327 110 I N 0.228 120.806 120.570 0.013 0.000 3.956 110 I HA 0.560 4.730 4.170 -0.001 0.000 0.333 110 I C -0.244 175.945 176.117 0.120 0.000 1.302 110 I CA -0.333 61.010 61.300 0.072 0.000 1.122 110 I CB 0.829 38.886 38.000 0.096 0.000 1.013 110 I HN 0.091 nan 8.210 nan 0.000 0.405 111 V N 2.885 122.820 119.914 0.036 0.000 2.468 111 V HA 0.275 4.394 4.120 -0.001 0.000 0.256 111 V C -0.031 176.051 176.094 -0.021 0.000 0.998 111 V CA -0.454 61.862 62.300 0.026 0.000 1.114 111 V CB 0.243 32.002 31.823 -0.106 0.000 1.378 111 V HN 0.323 nan 8.190 nan 0.000 0.573 112 Q N 1.290 121.111 119.800 0.036 0.000 2.352 112 Q HA 0.386 4.726 4.340 -0.001 0.000 0.260 112 Q C 1.362 177.377 176.000 0.025 0.000 0.976 112 Q CA 0.768 56.584 55.803 0.022 0.000 0.881 112 Q CB 1.127 29.889 28.738 0.040 0.000 1.235 112 Q HN 0.883 nan 8.270 nan 0.000 0.419 113 G N 1.199 110.006 108.800 0.013 0.000 2.179 113 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.257 113 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.257 113 G C -0.126 174.827 174.900 0.088 0.000 1.010 113 G CA 0.235 45.358 45.100 0.039 0.000 0.736 113 G HN 0.411 nan 8.290 nan 0.000 0.513 114 V N 0.760 120.640 119.914 -0.057 0.000 2.540 114 V HA 0.774 4.894 4.120 -0.001 0.000 0.302 114 V C 0.551 176.520 176.094 -0.208 0.000 1.035 114 V CA -0.248 61.946 62.300 -0.178 0.000 0.873 114 V CB 1.825 33.233 31.823 -0.691 0.000 0.992 114 V HN 0.943 nan 8.190 nan 0.000 0.428 115 S N 1.743 117.343 115.700 -0.166 0.000 2.651 115 S HA 0.399 4.869 4.470 -0.001 0.000 0.291 115 S C 1.019 175.457 174.600 -0.270 0.000 1.141 115 S CA 0.023 58.103 58.200 -0.199 0.000 1.027 115 S CB 1.050 64.118 63.200 -0.220 0.000 1.043 115 S HN 0.994 nan 8.310 nan 0.000 0.530 116 H N 0.380 119.333 119.070 -0.194 0.000 2.456 116 H HA 0.009 4.564 4.556 -0.001 0.000 0.296 116 H C 1.394 176.624 175.328 -0.164 0.000 1.079 116 H CA 1.676 57.560 56.048 -0.273 0.000 1.322 116 H CB -0.482 28.920 29.762 -0.600 0.000 1.388 116 H HN 0.787 nan 8.280 nan 0.000 0.538 117 E N 1.224 121.089 120.200 -0.557 0.000 2.077 117 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 117 E C 1.944 178.539 176.600 -0.008 0.000 0.989 117 E CA 1.340 57.631 56.400 -0.182 0.000 0.800 117 E CB -0.149 29.406 29.700 -0.243 0.000 0.746 117 E HN 0.738 nan 8.360 nan 0.000 0.452 118 E N 0.925 121.090 120.200 -0.057 0.000 2.077 118 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 118 E C 2.195 178.802 176.600 0.010 0.000 0.989 118 E CA 0.941 57.360 56.400 0.032 0.000 0.800 118 E CB -0.164 29.580 29.700 0.074 0.000 0.746 118 E HN 0.295 nan 8.360 nan 0.000 0.452 119 I N 0.823 121.339 120.570 -0.090 0.000 2.353 119 I HA -0.215 3.955 4.170 -0.001 0.000 0.248 119 I C 2.422 178.535 176.117 -0.008 0.000 1.119 119 I CA 0.581 61.828 61.300 -0.087 0.000 1.417 119 I CB -0.154 37.692 38.000 -0.256 0.000 1.078 119 I HN -0.029 nan 8.210 nan 0.000 0.421 120 S N 0.743 116.446 115.700 0.005 0.000 2.365 120 S HA -0.136 4.334 4.470 -0.001 0.000 0.225 120 S C 1.050 175.616 174.600 -0.056 0.000 1.039 120 S CA 0.876 59.068 58.200 -0.013 0.000 1.033 120 S CB -0.358 62.854 63.200 0.021 0.000 0.887 120 S HN 0.135 nan 8.310 nan 0.000 0.447 129 K N 0.882 121.271 120.400 -0.017 0.000 2.026 129 K HA -0.018 4.301 4.320 -0.001 0.000 0.208 129 K C 0.237 176.837 176.600 -0.000 0.000 1.048 129 K CA 0.951 57.234 56.287 -0.006 0.000 0.929 129 K CB -0.143 32.356 32.500 -0.002 0.000 0.713 129 K HN 0.373 nan 8.250 nan 0.000 0.439 133 G N 0.295 109.090 108.800 -0.008 0.000 2.179 133 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.260 133 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.260 133 G C 0.826 175.719 174.900 -0.012 0.000 0.977 133 G CA 0.456 45.551 45.100 -0.008 0.000 0.641 133 G HN 0.437 nan 8.290 nan 0.000 0.533 134 Q N -0.650 119.142 119.800 -0.013 0.000 2.364 134 Q HA 0.169 4.508 4.340 -0.001 0.000 0.209 134 Q C 2.239 178.227 176.000 -0.021 0.000 0.977 134 Q CA 0.958 56.752 55.803 -0.014 0.000 0.885 134 Q CB -0.056 28.676 28.738 -0.010 0.000 0.941 134 Q HN 0.686 nan 8.270 nan 0.000 0.464 135 L N -0.592 120.614 121.223 -0.029 0.000 2.667 135 L HA 0.108 4.447 4.340 -0.001 0.000 0.232 135 L C 1.721 178.574 176.870 -0.027 0.000 1.138 135 L CA -0.173 54.646 54.840 -0.035 0.000 0.921 135 L CB 0.299 42.325 42.059 -0.054 0.000 1.180 135 L HN 0.059 nan 8.230 nan 0.000 0.487 136 S N 0.790 116.479 115.700 -0.020 0.000 2.370 136 S HA -0.187 4.282 4.470 -0.001 0.000 0.226 136 S C 1.847 176.439 174.600 -0.014 0.000 1.033 136 S CA 1.393 59.587 58.200 -0.009 0.000 1.011 136 S CB -0.142 63.056 63.200 -0.004 0.000 0.852 136 S HN 0.334 nan 8.310 nan 0.000 0.457 137 L N 1.961 123.160 121.223 -0.040 0.000 2.056 137 L HA 0.051 4.391 4.340 -0.001 0.000 0.207 137 L C 2.350 179.163 176.870 -0.095 0.000 1.078 137 L CA 1.828 56.612 54.840 -0.094 0.000 0.749 137 L CB -1.179 40.797 42.059 -0.138 0.000 0.901 137 L HN 0.235 nan 8.230 nan 0.000 0.433 138 A N -0.154 122.635 122.820 -0.053 0.000 1.917 138 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 138 A C 2.292 179.910 177.584 0.056 0.000 1.182 138 A CA 2.362 54.393 52.037 -0.011 0.000 0.633 138 A CB -0.944 18.048 19.000 -0.013 0.000 0.819 138 A HN 0.529 nan 8.150 nan 0.000 0.448 139 I N -0.973 119.623 120.570 0.044 0.000 2.315 139 I HA -0.257 3.912 4.170 -0.001 0.000 0.248 139 I C 2.784 178.994 176.117 0.155 0.000 1.117 139 I CA 1.581 62.943 61.300 0.104 0.000 1.404 139 I CB -0.299 37.730 38.000 0.049 0.000 1.071 139 I HN 0.524 nan 8.210 nan 0.000 0.419 140 Q N 1.209 121.059 119.800 0.082 0.000 2.079 140 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 140 Q C 2.346 178.406 176.000 0.100 0.000 0.974 140 Q CA 1.556 57.410 55.803 0.085 0.000 0.840 140 Q CB 0.079 28.858 28.738 0.069 0.000 0.898 140 Q HN 0.516 nan 8.270 nan 0.000 0.430 141 I N 0.051 120.660 120.570 0.066 0.000 2.252 141 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 141 I C 2.110 178.388 176.117 0.268 0.000 1.102 141 I CA 0.724 62.088 61.300 0.107 0.000 1.385 141 I CB -0.327 37.668 38.000 -0.009 0.000 1.064 141 I HN 0.234 nan 8.210 nan 0.000 0.414 142 F N 2.285 122.314 119.950 0.132 0.000 2.115 142 F HA -0.294 4.232 4.527 -0.001 0.000 0.300 142 F C 2.221 178.149 175.800 0.213 0.000 1.092 142 F CA 1.882 59.996 58.000 0.189 0.000 1.245 142 F CB -0.243 38.824 39.000 0.111 0.000 0.995 142 F HN -0.105 nan 8.300 nan 0.000 0.481 143 K N -0.223 120.246 120.400 0.116 0.000 2.487 143 K HA -0.073 4.246 4.320 -0.001 0.000 0.192 143 K C 0.314 176.778 176.600 -0.226 0.000 1.027 143 K CA 0.804 57.062 56.287 -0.048 0.000 1.054 143 K CB -0.071 32.463 32.500 0.057 0.000 0.824 143 K HN 0.174 nan 8.250 nan 0.000 0.510 144 D N 1.346 121.547 120.400 -0.333 0.000 2.800 144 D HA -0.166 4.473 4.640 -0.001 0.000 0.232 144 D C -0.552 175.642 176.300 -0.176 0.000 1.137 144 D CA 0.746 54.438 54.000 -0.513 0.000 0.718 144 D CB -1.163 39.045 40.800 -0.987 0.000 1.084 144 D HN 0.413 nan 8.370 nan 0.000 0.432 145 E N -0.587 119.591 120.200 -0.037 0.000 2.558 145 E HA 0.087 4.437 4.350 -0.001 0.000 0.205 145 E C -0.356 176.302 176.600 0.097 0.000 1.006 145 E CA -0.398 56.010 56.400 0.013 0.000 0.961 145 E CB 0.589 30.303 29.700 0.023 0.000 1.044 145 E HN 0.380 nan 8.360 nan 0.000 0.465 146 Y N 1.162 121.437 120.300 -0.042 0.000 2.360 146 Y HA 0.254 4.803 4.550 -0.001 0.000 0.337 146 Y C -1.842 174.040 175.900 -0.029 0.000 1.039 146 Y CA -2.724 55.361 58.100 -0.026 0.000 1.109 146 Y CB 1.317 39.766 38.460 -0.019 0.000 1.201 146 Y HN -0.085 nan 8.280 nan 0.000 0.458 147 P HA -0.103 nan 4.420 nan 0.000 0.223 147 P C -0.355 176.791 177.300 -0.256 0.000 1.151 147 P CA 0.971 63.876 63.100 -0.325 0.000 0.787 147 P CB 0.253 31.755 31.700 -0.329 0.000 0.788 148 K N 1.274 121.460 120.400 -0.357 0.000 2.150 148 K HA 0.132 4.452 4.320 -0.001 0.000 0.261 148 K C 1.052 177.625 176.600 -0.046 0.000 1.127 148 K CA -0.255 55.977 56.287 -0.092 0.000 0.989 148 K CB 0.106 32.598 32.500 -0.014 0.000 1.475 148 K HN -0.087 nan 8.250 nan 0.000 0.391 149 R N 1.850 122.364 120.500 0.022 0.000 2.236 149 R HA -0.053 4.287 4.340 -0.001 0.000 0.208 149 R C 1.559 177.930 176.300 0.117 0.000 1.036 149 R CA 0.676 56.820 56.100 0.074 0.000 1.001 149 R CB -0.097 30.253 30.300 0.083 0.000 0.896 149 R HN 0.583 nan 8.270 nan 0.000 0.464 150 F N -0.278 119.736 119.950 0.106 0.000 2.365 150 F HA -0.013 4.514 4.527 -0.001 0.000 0.300 150 F C 1.570 177.416 175.800 0.076 0.000 1.090 150 F CA 0.685 58.731 58.000 0.076 0.000 1.408 150 F CB -0.561 38.467 39.000 0.047 0.000 1.060 150 F HN -0.157 nan 8.300 nan 0.000 0.534 151 L N 0.210 121.209 121.223 -0.373 0.000 2.017 151 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 151 L C 2.790 179.645 176.870 -0.025 0.000 1.073 151 L CA 1.975 56.675 54.840 -0.233 0.000 0.745 151 L CB -1.045 40.846 42.059 -0.281 0.000 0.894 151 L HN 0.297 nan 8.230 nan 0.000 0.432 152 H N 0.145 119.193 119.070 -0.038 0.000 2.387 152 H HA -0.200 4.356 4.556 -0.001 0.000 0.299 152 H C 2.277 177.609 175.328 0.006 0.000 1.090 152 H CA 1.768 57.812 56.048 -0.008 0.000 1.332 152 H CB 0.049 29.809 29.762 -0.004 0.000 1.386 152 H HN 0.292 nan 8.280 nan 0.000 0.516 153 Q N -0.204 119.589 119.800 -0.012 0.000 2.234 153 Q HA -0.116 4.223 4.340 -0.001 0.000 0.206 153 Q C 2.226 178.184 176.000 -0.070 0.000 0.980 153 Q CA 1.443 57.226 55.803 -0.033 0.000 0.869 153 Q CB 0.005 28.801 28.738 0.095 0.000 0.912 153 Q HN 0.533 nan 8.270 nan 0.000 0.436 154 L N -0.776 120.419 121.223 -0.046 0.000 2.291 154 L HA -0.103 4.236 4.340 -0.001 0.000 0.214 154 L C 2.001 178.804 176.870 -0.111 0.000 1.120 154 L CA 0.382 55.189 54.840 -0.055 0.000 0.799 154 L CB -0.073 41.975 42.059 -0.017 0.000 0.925 154 L HN 0.072 nan 8.230 nan 0.000 0.446 155 V N -2.252 117.561 119.914 -0.168 0.000 2.500 155 V HA 0.001 4.120 4.120 -0.001 0.000 0.243 155 V C 0.942 176.916 176.094 -0.201 0.000 1.039 155 V CA 0.851 63.050 62.300 -0.168 0.000 1.053 155 V CB 0.422 32.176 31.823 -0.116 0.000 0.695 155 V HN 0.330 nan 8.190 nan 0.000 0.463 156 S N -0.815 114.683 115.700 -0.336 0.000 2.720 156 S HA 0.683 5.152 4.470 -0.001 0.000 0.278 156 S C -0.464 174.036 174.600 -0.165 0.000 1.172 156 S CA 0.238 58.298 58.200 -0.233 0.000 1.019 156 S CB 0.953 63.989 63.200 -0.272 0.000 1.049 156 S HN 0.877 nan 8.310 nan 0.000 0.483 157 G N 3.448 112.222 108.800 -0.044 0.000 2.337 157 G HA2 0.202 4.161 3.960 -0.001 0.000 0.298 157 G HA3 0.202 4.161 3.960 -0.001 0.000 0.298 157 G C -0.306 174.616 174.900 0.036 0.000 1.335 157 G CA -0.482 44.620 45.100 0.003 0.000 0.875 157 G HN 0.504 nan 8.290 nan 0.000 0.579 158 Q N -0.850 118.980 119.800 0.049 0.000 2.248 158 Q HA 0.043 4.383 4.340 -0.001 0.000 0.208 158 Q C 1.909 178.010 176.000 0.169 0.000 0.984 158 Q CA 1.544 57.398 55.803 0.086 0.000 0.875 158 Q CB -0.133 28.650 28.738 0.074 0.000 0.910 158 Q HN 0.423 nan 8.270 nan 0.000 0.433 159 L N 0.807 122.087 121.223 0.096 0.000 3.110 159 L HA 0.214 4.554 4.340 -0.001 0.000 0.266 159 L C -0.233 176.627 176.870 -0.016 0.000 1.257 159 L CA -0.736 54.132 54.840 0.046 0.000 1.038 159 L CB -0.011 42.040 42.059 -0.014 0.000 1.395 159 L HN 0.167 nan 8.230 nan 0.000 0.566 163 R N 1.712 122.144 120.500 -0.113 0.000 2.115 163 R HA 0.139 4.479 4.340 -0.001 0.000 0.226 163 R C 2.130 178.212 176.300 -0.363 0.000 1.100 163 R CA 1.143 56.804 56.100 -0.731 0.000 0.980 163 R CB -0.677 29.381 30.300 -0.404 0.000 0.875 163 R HN 0.289 nan 8.270 nan 0.000 0.445 164 L N 1.145 122.314 121.223 -0.090 0.000 2.131 164 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 164 L C 2.103 179.035 176.870 0.104 0.000 1.092 164 L CA 1.724 56.549 54.840 -0.025 0.000 0.759 164 L CB -0.534 41.464 42.059 -0.102 0.000 0.903 164 L HN 0.322 nan 8.230 nan 0.000 0.435 165 D N -0.464 120.034 120.400 0.162 0.000 2.085 165 D HA -0.236 4.403 4.640 -0.001 0.000 0.199 165 D C 2.164 178.675 176.300 0.352 0.000 0.981 165 D CA 1.440 55.656 54.000 0.361 0.000 0.834 165 D CB -0.093 40.950 40.800 0.405 0.000 0.992 165 D HN 0.377 nan 8.370 nan 0.000 0.457 166 Y N 0.455 120.957 120.300 0.337 0.000 2.200 166 Y HA 0.029 4.578 4.550 -0.001 0.000 0.290 166 Y C 1.954 177.983 175.900 0.215 0.000 1.137 166 Y CA 0.779 59.004 58.100 0.208 0.000 1.163 166 Y CB -1.039 37.419 38.460 -0.003 0.000 0.988 166 Y HN 0.016 nan 8.280 nan 0.000 0.518 167 L N 0.152 121.462 121.223 0.145 0.000 2.042 167 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 167 L C 2.850 179.848 176.870 0.213 0.000 1.076 167 L CA 1.950 56.944 54.840 0.256 0.000 0.749 167 L CB -0.496 41.664 42.059 0.169 0.000 0.893 167 L HN 0.220 nan 8.230 nan 0.000 0.432 168 R N 0.460 121.067 120.500 0.178 0.000 2.066 168 R HA -0.158 4.181 4.340 -0.001 0.000 0.232 168 R C 2.380 178.729 176.300 0.082 0.000 1.131 168 R CA 1.559 57.735 56.100 0.127 0.000 0.955 168 R CB -0.372 30.010 30.300 0.137 0.000 0.851 168 R HN 0.138 nan 8.270 nan 0.000 0.432 169 R N -0.115 120.432 120.500 0.078 0.000 2.066 169 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 169 R C 1.254 177.556 176.300 0.002 0.000 1.131 169 R CA 1.951 58.055 56.100 0.006 0.000 0.955 169 R CB -0.252 30.061 30.300 0.023 0.000 0.851 169 R HN 0.260 nan 8.270 nan 0.000 0.432 170 D N -0.354 120.101 120.400 0.092 0.000 2.117 170 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 170 D C 1.838 178.189 176.300 0.086 0.000 0.987 170 D CA 1.529 55.616 54.000 0.146 0.000 0.829 170 D CB -0.304 40.702 40.800 0.342 0.000 0.961 170 D HN 0.184 nan 8.370 nan 0.000 0.460 171 S N -0.545 115.207 115.700 0.086 0.000 2.355 171 S HA -0.179 4.291 4.470 -0.001 0.000 0.222 171 S C 1.956 176.574 174.600 0.030 0.000 1.031 171 S CA 0.662 58.878 58.200 0.027 0.000 0.993 171 S CB -0.565 62.667 63.200 0.054 0.000 0.859 171 S HN 0.229 nan 8.310 nan 0.000 0.453 172 F N 0.781 120.673 119.950 -0.095 0.000 2.095 172 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 172 F C 1.878 177.544 175.800 -0.224 0.000 1.104 172 F CA 1.816 59.710 58.000 -0.178 0.000 1.232 172 F CB -0.558 38.300 39.000 -0.236 0.000 0.987 172 F HN 0.297 nan 8.300 nan 0.000 0.475 173 Y N 0.106 120.460 120.300 0.090 0.000 2.314 173 Y HA -0.112 4.438 4.550 -0.001 0.000 0.294 173 Y C 2.851 178.758 175.900 0.012 0.000 1.119 173 Y CA 1.711 59.847 58.100 0.060 0.000 1.179 173 Y CB -0.892 37.568 38.460 -0.000 0.000 1.025 173 Y HN 0.164 nan 8.280 nan 0.000 0.541 174 T N -3.843 110.770 114.554 0.098 0.000 2.867 174 T HA 0.060 4.410 4.350 -0.001 0.000 0.268 174 T C 1.965 176.627 174.700 -0.063 0.000 1.057 174 T CA 1.082 63.148 62.100 -0.057 0.000 1.136 174 T CB -0.687 67.907 68.868 -0.456 0.000 0.874 174 T HN 0.500 nan 8.240 nan 0.000 0.466 175 G N 0.407 109.140 108.800 -0.113 0.000 2.176 175 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.253 175 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.253 175 G C 0.243 175.089 174.900 -0.089 0.000 0.979 175 G CA -0.043 44.983 45.100 -0.123 0.000 0.641 175 G HN 0.744 nan 8.290 nan 0.000 0.530 176 V N 2.985 122.824 119.914 -0.126 0.000 2.180 176 V HA 0.201 4.320 4.120 -0.001 0.000 0.238 176 V C 2.122 178.179 176.094 -0.061 0.000 1.337 176 V CA 1.408 63.650 62.300 -0.097 0.000 1.338 176 V CB -0.437 31.269 31.823 -0.194 0.000 1.431 176 V HN 0.721 nan 8.190 nan 0.000 0.498 177 T N -0.337 114.190 114.554 -0.045 0.000 3.051 177 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 177 T C 1.308 176.008 174.700 -0.000 0.000 1.127 177 T CA 0.947 63.029 62.100 -0.030 0.000 1.107 177 T CB -0.096 68.748 68.868 -0.039 0.000 0.898 177 T HN 0.567 nan 8.240 nan 0.000 0.517 178 E N 1.315 121.519 120.200 0.006 0.000 2.347 178 E HA 0.158 4.507 4.350 -0.001 0.000 0.196 178 E C 2.077 178.699 176.600 0.036 0.000 1.008 178 E CA 0.787 57.201 56.400 0.024 0.000 0.852 178 E CB -0.490 29.229 29.700 0.031 0.000 0.783 178 E HN 0.671 nan 8.360 nan 0.000 0.505 179 G N 0.212 109.027 108.800 0.025 0.000 3.284 179 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.236 179 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.236 179 G C 0.238 175.180 174.900 0.070 0.000 1.158 179 G CA -0.483 44.643 45.100 0.043 0.000 0.774 179 G HN 0.074 nan 8.290 nan 0.000 0.545 180 N N 1.118 119.855 118.700 0.063 0.000 2.492 180 N HA 0.324 5.063 4.740 -0.001 0.000 0.260 180 N C 0.093 175.668 175.510 0.110 0.000 1.215 180 N CA -0.108 52.991 53.050 0.081 0.000 0.923 180 N CB 0.464 38.988 38.487 0.061 0.000 1.092 180 N HN 0.341 nan 8.380 nan 0.000 0.448 181 I N -1.672 118.976 120.570 0.130 0.000 2.785 181 I HA 0.602 4.771 4.170 -0.001 0.000 0.302 181 I C 0.524 176.704 176.117 0.105 0.000 1.069 181 I CA -1.422 59.965 61.300 0.144 0.000 1.045 181 I CB 2.209 40.344 38.000 0.224 0.000 1.236 181 I HN 0.466 nan 8.210 nan 0.000 0.429 182 G N 2.493 111.335 108.800 0.070 0.000 3.343 182 G HA2 0.246 4.205 3.960 -0.001 0.000 0.264 182 G HA3 0.246 4.205 3.960 -0.001 0.000 0.264 182 G C 0.589 175.494 174.900 0.008 0.000 0.884 182 G CA -0.266 44.864 45.100 0.049 0.000 1.916 182 G HN 0.715 nan 8.290 nan 0.000 0.618 183 S N 1.538 117.273 115.700 0.059 0.000 2.359 183 S HA -0.204 4.265 4.470 -0.001 0.000 0.224 183 S C 2.809 177.370 174.600 -0.064 0.000 1.035 183 S CA 1.448 59.647 58.200 -0.001 0.000 1.018 183 S CB -0.126 63.164 63.200 0.151 0.000 0.876 183 S HN 0.711 nan 8.310 nan 0.000 0.448 184 A N 1.634 124.452 122.820 -0.004 0.000 1.933 184 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 184 A C 2.160 179.704 177.584 -0.066 0.000 1.175 184 A CA 1.262 53.268 52.037 -0.052 0.000 0.628 184 A CB -0.444 18.570 19.000 0.023 0.000 0.814 184 A HN 0.402 nan 8.150 nan 0.000 0.444 185 R N -0.599 119.877 120.500 -0.041 0.000 2.081 185 R HA -0.050 4.290 4.340 -0.001 0.000 0.235 185 R C 1.999 178.243 176.300 -0.093 0.000 1.131 185 R CA 1.607 57.676 56.100 -0.052 0.000 0.960 185 R CB -0.489 29.796 30.300 -0.024 0.000 0.856 185 R HN 0.579 nan 8.270 nan 0.000 0.436 186 I N 0.631 121.123 120.570 -0.129 0.000 2.163 186 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 186 I C 2.226 178.239 176.117 -0.174 0.000 1.085 186 I CA 1.443 62.633 61.300 -0.183 0.000 1.347 186 I CB -0.275 37.538 38.000 -0.312 0.000 1.044 186 I HN 0.135 nan 8.210 nan 0.000 0.408 187 I N 0.199 120.665 120.570 -0.174 0.000 2.208 187 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 187 I C 1.607 177.636 176.117 -0.147 0.000 1.097 187 I CA 1.141 62.338 61.300 -0.172 0.000 1.363 187 I CB -0.341 37.540 38.000 -0.199 0.000 1.051 187 I HN 0.148 nan 8.210 nan 0.000 0.413 191 D N 0.985 121.300 120.400 -0.143 0.000 2.692 191 D HA 0.726 5.365 4.640 -0.001 0.000 0.303 191 D C -1.774 174.403 176.300 -0.206 0.000 1.278 191 D CA -0.033 53.864 54.000 -0.172 0.000 0.852 191 D CB 2.624 43.338 40.800 -0.144 0.000 1.375 191 D HN 0.294 nan 8.370 nan 0.000 0.453 192 V N 0.321 120.075 119.914 -0.268 0.000 2.555 192 V HA 0.887 5.006 4.120 -0.001 0.000 0.302 192 V C -0.370 175.621 176.094 -0.172 0.000 1.038 192 V CA -0.687 61.436 62.300 -0.295 0.000 0.887 192 V CB 1.248 32.700 31.823 -0.618 0.000 0.991 192 V HN 0.713 nan 8.190 nan 0.000 0.434 193 A N 2.525 125.284 122.820 -0.102 0.000 2.375 193 A HA 0.697 5.016 4.320 -0.001 0.000 0.295 193 A C -0.327 177.247 177.584 -0.017 0.000 1.066 193 A CA -0.467 51.539 52.037 -0.052 0.000 0.722 193 A CB 0.754 19.733 19.000 -0.036 0.000 1.206 193 A HN 0.906 nan 8.150 nan 0.000 0.435 194 D N 1.975 122.374 120.400 -0.001 0.000 2.689 194 D HA -0.177 4.463 4.640 -0.001 0.000 0.237 194 D C 0.121 176.452 176.300 0.052 0.000 1.148 194 D CA 2.082 56.096 54.000 0.024 0.000 0.656 194 D CB -0.689 40.125 40.800 0.023 0.000 1.050 194 D HN 0.921 nan 8.370 nan 0.000 0.426 195 D N -0.697 119.750 120.400 0.078 0.000 2.772 195 D HA -0.250 4.390 4.640 -0.001 0.000 0.233 195 D C -0.246 176.162 176.300 0.180 0.000 1.143 195 D CA 1.477 55.585 54.000 0.180 0.000 0.700 195 D CB -0.038 40.861 40.800 0.166 0.000 1.076 195 D HN 0.604 nan 8.370 nan 0.000 0.430 196 R N 0.214 120.774 120.500 0.101 0.000 2.698 196 R HA 0.447 4.787 4.340 -0.001 0.000 0.275 196 R C -1.140 175.179 176.300 0.032 0.000 1.001 196 R CA -0.806 55.350 56.100 0.094 0.000 0.896 196 R CB 0.428 30.770 30.300 0.070 0.000 1.218 196 R HN 0.110 nan 8.270 nan 0.000 0.462 197 L N 3.039 124.290 121.223 0.048 0.000 2.416 197 L HA 0.393 4.732 4.340 -0.001 0.000 0.272 197 L C 0.519 177.374 176.870 -0.025 0.000 1.161 197 L CA -0.486 54.350 54.840 -0.006 0.000 0.845 197 L CB 1.106 43.177 42.059 0.020 0.000 1.119 197 L HN 0.573 nan 8.230 nan 0.000 0.464 198 V N 1.212 121.089 119.914 -0.061 0.000 3.130 198 V HA 0.604 4.724 4.120 -0.001 0.000 0.310 198 V C -0.719 175.323 176.094 -0.086 0.000 1.158 198 V CA -0.880 61.384 62.300 -0.061 0.000 1.029 198 V CB 2.645 34.429 31.823 -0.065 0.000 1.057 198 V HN 0.443 nan 8.190 nan 0.000 0.436 199 I N 1.234 121.748 120.570 -0.094 0.000 2.465 199 I HA 0.478 4.647 4.170 -0.001 0.000 0.291 199 I C 0.278 176.298 176.117 -0.162 0.000 1.014 199 I CA -0.294 60.935 61.300 -0.118 0.000 1.093 199 I CB 1.755 39.694 38.000 -0.101 0.000 1.267 199 I HN 0.888 nan 8.210 nan 0.000 0.431 200 E N 2.791 122.891 120.200 -0.166 0.000 2.414 200 E HA -0.022 4.328 4.350 -0.001 0.000 0.263 200 E C 1.209 177.652 176.600 -0.262 0.000 1.000 200 E CA 0.079 56.358 56.400 -0.201 0.000 0.914 200 E CB 0.806 30.412 29.700 -0.156 0.000 0.948 200 E HN 0.698 nan 8.360 nan 0.000 0.444 201 S N 3.144 118.613 115.700 -0.384 0.000 2.407 201 S HA -0.255 4.214 4.470 -0.001 0.000 0.235 201 S C 1.593 176.008 174.600 -0.307 0.000 1.036 201 S CA 1.173 59.096 58.200 -0.463 0.000 1.013 201 S CB -0.043 62.754 63.200 -0.671 0.000 0.820 201 S HN 0.322 nan 8.310 nan 0.000 0.476 202 K N 1.654 121.909 120.400 -0.242 0.000 2.360 202 K HA 0.131 4.450 4.320 -0.001 0.000 0.201 202 K C 1.674 178.114 176.600 -0.266 0.000 1.046 202 K CA 0.912 57.056 56.287 -0.239 0.000 0.945 202 K CB -0.965 31.442 32.500 -0.155 0.000 0.750 202 K HN 0.570 nan 8.250 nan 0.000 0.464 203 G N -0.661 108.006 108.800 -0.222 0.000 3.284 203 G HA2 0.045 4.005 3.960 -0.001 0.000 0.236 203 G HA3 0.045 4.005 3.960 -0.001 0.000 0.236 203 G C 1.102 175.918 174.900 -0.141 0.000 1.158 203 G CA -0.273 44.728 45.100 -0.165 0.000 0.774 203 G HN 0.176 nan 8.290 nan 0.000 0.545 204 I N 0.040 120.483 120.570 -0.211 0.000 2.264 204 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 204 I C 2.186 178.351 176.117 0.080 0.000 1.111 204 I CA 1.024 62.269 61.300 -0.092 0.000 1.382 204 I CB -0.153 37.785 38.000 -0.104 0.000 1.060 204 I HN 0.148 nan 8.210 nan 0.000 0.418 205 Y N 0.431 120.741 120.300 0.017 0.000 2.163 205 Y HA -0.150 4.399 4.550 -0.001 0.000 0.288 205 Y C 2.930 178.855 175.900 0.040 0.000 1.136 205 Y CA 0.558 58.677 58.100 0.031 0.000 1.147 205 Y CB -1.476 36.998 38.460 0.023 0.000 0.987 205 Y HN 0.064 nan 8.280 nan 0.000 0.509 206 S N 0.142 115.948 115.700 0.176 0.000 2.380 206 S HA -0.175 4.294 4.470 -0.001 0.000 0.229 206 S C 1.938 176.611 174.600 0.122 0.000 1.043 206 S CA 1.516 59.776 58.200 0.100 0.000 1.038 206 S CB -0.383 62.828 63.200 0.018 0.000 0.872 206 S HN 0.256 nan 8.310 nan 0.000 0.456 207 I N 1.275 121.918 120.570 0.121 0.000 2.500 207 I HA -0.010 4.160 4.170 -0.001 0.000 0.252 207 I C 2.260 178.514 176.117 0.229 0.000 1.142 207 I CA 0.900 62.318 61.300 0.195 0.000 1.451 207 I CB -1.272 36.805 38.000 0.130 0.000 1.093 207 I HN 0.349 nan 8.210 nan 0.000 0.430 208 E N 0.765 121.076 120.200 0.185 0.000 2.051 208 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 208 E C 1.999 178.691 176.600 0.152 0.000 0.991 208 E CA 1.131 57.628 56.400 0.161 0.000 0.799 208 E CB -0.183 29.613 29.700 0.161 0.000 0.748 208 E HN 0.461 nan 8.360 nan 0.000 0.449 209 N N 0.317 119.115 118.700 0.164 0.000 2.166 209 N HA -0.187 4.553 4.740 -0.001 0.000 0.186 209 N C 1.887 177.519 175.510 0.203 0.000 1.019 209 N CA 0.797 53.938 53.050 0.153 0.000 0.856 209 N CB -0.097 38.473 38.487 0.138 0.000 0.993 209 N HN 0.063 nan 8.380 nan 0.000 0.426 210 F N 2.075 122.057 119.950 0.054 0.000 2.102 210 F HA -0.062 4.464 4.527 -0.001 0.000 0.298 210 F C 2.149 177.979 175.800 0.050 0.000 1.105 210 F CA 1.103 59.129 58.000 0.044 0.000 1.239 210 F CB -0.608 38.409 39.000 0.029 0.000 0.991 210 F HN -0.001 nan 8.300 nan 0.000 0.474 211 L N -0.244 120.972 121.223 -0.010 0.000 2.141 211 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 211 L C 2.541 179.383 176.870 -0.048 0.000 1.094 211 L CA 1.721 56.484 54.840 -0.128 0.000 0.763 211 L CB -1.202 40.854 42.059 -0.005 0.000 0.908 211 L HN 0.339 nan 8.230 nan 0.000 0.437 212 T N -2.883 111.688 114.554 0.029 0.000 2.851 212 T HA -0.032 4.318 4.350 -0.001 0.000 0.262 212 T C 1.989 176.721 174.700 0.054 0.000 1.043 212 T CA 0.772 62.903 62.100 0.052 0.000 1.140 212 T CB -0.248 68.662 68.868 0.069 0.000 0.872 212 T HN 0.248 nan 8.240 nan 0.000 0.446 213 A N 1.864 124.718 122.820 0.057 0.000 1.933 213 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 213 A C 2.540 180.156 177.584 0.054 0.000 1.175 213 A CA 1.601 53.680 52.037 0.069 0.000 0.628 213 A CB -0.828 18.236 19.000 0.107 0.000 0.814 213 A HN 0.524 nan 8.150 nan 0.000 0.444 214 R N -0.494 119.999 120.500 -0.012 0.000 2.096 214 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 214 R C 2.352 178.694 176.300 0.069 0.000 1.127 214 R CA 1.535 57.634 56.100 -0.002 0.000 0.968 214 R CB -0.173 30.018 30.300 -0.181 0.000 0.861 214 R HN 0.554 nan 8.270 nan 0.000 0.440 215 R N 0.129 120.660 120.500 0.052 0.000 2.073 215 R HA -0.012 4.327 4.340 -0.001 0.000 0.229 215 R C 1.484 177.905 176.300 0.201 0.000 1.120 215 R CA 0.476 56.643 56.100 0.112 0.000 0.967 215 R CB -0.379 29.994 30.300 0.120 0.000 0.862 215 R HN 0.152 nan 8.270 nan 0.000 0.436 219 W N 1.332 122.720 121.300 0.147 0.000 2.494 219 W HA 0.039 4.698 4.660 -0.001 0.000 0.286 219 W C 2.257 178.793 176.519 0.028 0.000 1.218 219 W CA 1.393 58.787 57.345 0.082 0.000 1.313 219 W CB -0.084 29.467 29.460 0.152 0.000 1.105 219 W HN 0.203 nan 8.180 nan 0.000 0.561 220 Q N 0.284 120.218 119.800 0.222 0.000 2.137 220 Q HA -0.081 4.258 4.340 -0.001 0.000 0.198 220 Q C 1.594 177.729 176.000 0.225 0.000 0.960 220 Q CA 1.780 57.705 55.803 0.203 0.000 0.847 220 Q CB -0.109 28.711 28.738 0.137 0.000 0.915 220 Q HN 0.160 nan 8.270 nan 0.000 0.448 221 V N -1.364 118.531 119.914 -0.032 0.000 2.870 221 V HA -0.018 4.102 4.120 -0.001 0.000 0.232 221 V C 1.432 177.502 176.094 -0.041 0.000 1.161 221 V CA 0.611 62.848 62.300 -0.105 0.000 1.204 221 V CB -0.625 30.873 31.823 -0.541 0.000 1.003 221 V HN 0.151 nan 8.190 nan 0.000 0.499 222 Y N -0.086 120.174 120.300 -0.065 0.000 2.314 222 Y HA 0.106 4.655 4.550 -0.001 0.000 0.293 222 Y C 1.770 177.539 175.900 -0.219 0.000 1.129 222 Y CA 0.435 58.425 58.100 -0.183 0.000 1.201 222 Y CB -0.077 38.197 38.460 -0.311 0.000 0.999 222 Y HN 0.081 nan 8.280 nan 0.000 0.541 223 L N 0.172 121.308 121.223 -0.144 0.000 3.017 223 L HA 0.093 4.432 4.340 -0.001 0.000 0.255 223 L C 0.280 177.243 176.870 0.154 0.000 1.247 223 L CA 0.053 54.851 54.840 -0.070 0.000 1.038 223 L CB -1.326 40.581 42.059 -0.252 0.000 1.380 223 L HN 0.277 nan 8.230 nan 0.000 0.548 224 H N 2.275 121.402 119.070 0.094 0.000 3.034 224 H HA -0.062 4.494 4.556 -0.001 0.000 0.324 224 H C 1.103 176.478 175.328 0.078 0.000 1.015 224 H CA 0.799 56.925 56.048 0.129 0.000 1.429 224 H CB 1.199 31.044 29.762 0.137 0.000 1.429 224 H HN 0.340 nan 8.280 nan 0.000 0.585 225 K N 2.304 122.736 120.400 0.052 0.000 2.148 225 K HA -0.085 4.235 4.320 -0.001 0.000 0.204 225 K C 1.510 178.209 176.600 0.165 0.000 1.050 225 K CA 1.506 57.847 56.287 0.090 0.000 0.942 225 K CB -0.014 32.567 32.500 0.134 0.000 0.724 225 K HN 0.373 nan 8.250 nan 0.000 0.446 226 T N 1.047 115.828 114.554 0.378 0.000 2.746 226 T HA -0.095 4.254 4.350 -0.001 0.000 0.267 226 T C 2.040 176.810 174.700 0.116 0.000 1.039 226 T CA 1.663 63.881 62.100 0.197 0.000 1.142 226 T CB -0.259 68.666 68.868 0.095 0.000 0.866 226 T HN 0.288 nan 8.240 nan 0.000 0.444 227 S N 0.763 116.553 115.700 0.150 0.000 2.383 227 S HA -0.058 4.412 4.470 -0.001 0.000 0.227 227 S C 2.324 177.001 174.600 0.127 0.000 1.026 227 S CA 0.612 58.896 58.200 0.139 0.000 0.981 227 S CB -0.445 62.848 63.200 0.155 0.000 0.818 227 S HN 0.269 nan 8.310 nan 0.000 0.472 228 V N 2.009 121.950 119.914 0.044 0.000 2.295 228 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 228 V C 2.641 178.725 176.094 -0.016 0.000 1.049 228 V CA 1.768 64.025 62.300 -0.072 0.000 1.024 228 V CB -1.189 30.401 31.823 -0.388 0.000 0.648 228 V HN 0.539 nan 8.190 nan 0.000 0.447 229 A N -1.085 121.756 122.820 0.034 0.000 1.877 229 A HA -0.273 4.046 4.320 -0.001 0.000 0.216 229 A C 2.182 179.788 177.584 0.036 0.000 1.186 229 A CA 2.066 54.156 52.037 0.088 0.000 0.620 229 A CB -0.839 18.240 19.000 0.132 0.000 0.822 229 A HN 0.557 nan 8.150 nan 0.000 0.443 230 Y N 0.547 120.792 120.300 -0.093 0.000 2.128 230 Y HA -0.229 4.321 4.550 -0.001 0.000 0.284 230 Y C 2.449 178.248 175.900 -0.169 0.000 1.154 230 Y CA 1.919 59.935 58.100 -0.139 0.000 1.149 230 Y CB -0.472 37.961 38.460 -0.047 0.000 0.976 230 Y HN 0.607 nan 8.280 nan 0.000 0.505 231 E N -0.025 120.176 120.200 0.002 0.000 2.077 231 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 231 E C 0.906 177.407 176.600 -0.165 0.000 0.989 231 E CA 0.366 56.706 56.400 -0.099 0.000 0.800 231 E CB 0.045 29.760 29.700 0.025 0.000 0.746 231 E HN 0.110 nan 8.360 nan 0.000 0.452 235 I N -0.064 120.347 120.570 -0.265 0.000 2.163 235 I HA -0.272 3.898 4.170 -0.001 0.000 0.243 235 I C 2.181 178.238 176.117 -0.100 0.000 1.085 235 I CA 1.775 62.976 61.300 -0.165 0.000 1.347 235 I CB -0.302 37.628 38.000 -0.116 0.000 1.044 235 I HN 0.256 nan 8.210 nan 0.000 0.408 236 S N 0.148 115.799 115.700 -0.082 0.000 2.359 236 S HA -0.185 4.284 4.470 -0.001 0.000 0.224 236 S C 2.044 176.569 174.600 -0.125 0.000 1.035 236 S CA 2.054 60.261 58.200 0.013 0.000 1.018 236 S CB -0.341 62.862 63.200 0.007 0.000 0.876 236 S HN 0.480 nan 8.310 nan 0.000 0.448 237 T N 2.837 117.268 114.554 -0.205 0.000 2.684 237 T HA -0.033 4.317 4.350 -0.001 0.000 0.267 237 T C 1.772 176.373 174.700 -0.164 0.000 1.036 237 T CA 1.165 63.141 62.100 -0.207 0.000 1.148 237 T CB -0.474 68.295 68.868 -0.165 0.000 0.863 237 T HN 0.251 nan 8.240 nan 0.000 0.436 238 L N 0.224 121.377 121.223 -0.117 0.000 2.093 238 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 238 L C 2.520 179.331 176.870 -0.099 0.000 1.085 238 L CA 0.906 55.705 54.840 -0.069 0.000 0.755 238 L CB -0.558 41.459 42.059 -0.071 0.000 0.904 238 L HN 0.243 nan 8.230 nan 0.000 0.435 239 L N -0.549 120.636 121.223 -0.063 0.000 2.046 239 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 239 L C 2.842 179.688 176.870 -0.040 0.000 1.077 239 L CA 0.927 55.773 54.840 0.009 0.000 0.747 239 L CB -0.419 41.724 42.059 0.140 0.000 0.896 239 L HN 0.233 nan 8.230 nan 0.000 0.432 240 R N 0.767 121.130 120.500 -0.228 0.000 2.081 240 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 240 R C 2.168 178.212 176.300 -0.426 0.000 1.131 240 R CA 1.746 57.542 56.100 -0.507 0.000 0.960 240 R CB -0.761 28.991 30.300 -0.913 0.000 0.856 240 R HN 0.311 nan 8.270 nan 0.000 0.436 241 A N 0.558 123.097 122.820 -0.469 0.000 1.908 241 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 241 A C 2.172 179.497 177.584 -0.431 0.000 1.181 241 A CA 1.848 53.524 52.037 -0.603 0.000 0.627 241 A CB -0.552 18.006 19.000 -0.737 0.000 0.818 241 A HN 0.417 nan 8.150 nan 0.000 0.445 242 K N -0.503 119.727 120.400 -0.284 0.000 2.148 242 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 242 K C 2.079 178.544 176.600 -0.225 0.000 1.050 242 K CA 1.376 57.516 56.287 -0.246 0.000 0.942 242 K CB -0.107 32.311 32.500 -0.136 0.000 0.724 242 K HN 0.663 nan 8.250 nan 0.000 0.446 243 E N 0.625 120.724 120.200 -0.167 0.000 2.031 243 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 243 E C 2.024 178.530 176.600 -0.156 0.000 0.994 243 E CA 1.122 57.456 56.400 -0.111 0.000 0.800 243 E CB -0.033 29.654 29.700 -0.022 0.000 0.752 243 E HN 0.262 nan 8.360 nan 0.000 0.447 244 L N 0.529 121.620 121.223 -0.221 0.000 2.012 244 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 244 L C 2.740 179.470 176.870 -0.232 0.000 1.073 244 L CA 1.217 55.927 54.840 -0.217 0.000 0.748 244 L CB -0.568 41.310 42.059 -0.303 0.000 0.891 244 L HN 0.236 nan 8.230 nan 0.000 0.431 245 A N 0.261 122.846 122.820 -0.390 0.000 1.917 245 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 245 A C 2.504 179.881 177.584 -0.345 0.000 1.182 245 A CA 2.309 53.983 52.037 -0.605 0.000 0.633 245 A CB -0.800 17.458 19.000 -1.237 0.000 0.819 245 A HN 0.561 nan 8.150 nan 0.000 0.448 246 S N -0.653 114.894 115.700 -0.254 0.000 2.423 246 S HA -0.170 4.299 4.470 -0.001 0.000 0.231 246 S C 1.650 176.210 174.600 -0.066 0.000 1.014 246 S CA 1.204 59.323 58.200 -0.134 0.000 0.965 246 S CB -0.451 62.682 63.200 -0.112 0.000 0.785 246 S HN 0.693 nan 8.310 nan 0.000 0.495 247 Q N 0.740 120.501 119.800 -0.066 0.000 2.482 247 Q HA 0.267 4.607 4.340 -0.001 0.000 0.209 247 Q C 1.339 177.341 176.000 0.004 0.000 0.961 247 Q CA 0.309 56.095 55.803 -0.027 0.000 0.945 247 Q CB -0.181 28.540 28.738 -0.028 0.000 1.012 247 Q HN 0.818 nan 8.270 nan 0.000 0.515 248 G N 0.249 109.063 108.800 0.024 0.000 2.157 248 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.248 248 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.248 248 G C 0.257 175.226 174.900 0.116 0.000 0.979 248 G CA 0.038 45.193 45.100 0.092 0.000 0.650 248 G HN 0.222 nan 8.290 nan 0.000 0.529 249 V N 0.614 120.573 119.914 0.075 0.000 2.843 249 V HA 0.394 4.514 4.120 -0.001 0.000 0.305 249 V C 0.926 177.137 176.094 0.195 0.000 1.065 249 V CA 0.460 62.819 62.300 0.099 0.000 1.116 249 V CB 1.540 33.388 31.823 0.041 0.000 0.968 249 V HN 0.397 nan 8.190 nan 0.000 0.487 250 E N 4.838 125.167 120.200 0.214 0.000 2.194 250 E HA 0.498 4.847 4.350 -0.001 0.000 0.284 250 E C -0.722 176.070 176.600 0.321 0.000 1.035 250 E CA -0.345 56.213 56.400 0.263 0.000 0.836 250 E CB 0.939 30.746 29.700 0.179 0.000 1.070 250 E HN 0.543 nan 8.360 nan 0.000 0.401 251 L N 4.116 125.559 121.223 0.366 0.000 2.365 251 L HA 0.553 4.892 4.340 -0.001 0.000 0.273 251 L C 0.195 177.403 176.870 0.563 0.000 1.000 251 L CA -1.118 53.941 54.840 0.364 0.000 0.819 251 L CB 1.666 43.785 42.059 0.100 0.000 1.284 251 L HN 0.639 nan 8.230 nan 0.000 0.418 252 F N 3.214 123.499 119.950 0.559 0.000 2.578 252 F HA 0.419 4.946 4.527 -0.001 0.000 0.376 252 F C 0.274 176.353 175.800 0.466 0.000 1.085 252 F CA 0.070 58.329 58.000 0.431 0.000 1.260 252 F CB 0.460 39.645 39.000 0.308 0.000 1.095 252 F HN 0.532 nan 8.300 nan 0.000 0.573 253 A N 4.048 126.691 122.820 -0.294 0.000 2.582 253 A HA 0.501 4.820 4.320 -0.001 0.000 0.297 253 A C -0.507 176.903 177.584 -0.290 0.000 1.059 253 A CA -0.363 51.617 52.037 -0.095 0.000 0.705 253 A CB 0.398 19.585 19.000 0.313 0.000 1.279 253 A HN 1.109 nan 8.150 nan 0.000 0.404 254 S N 2.063 117.676 115.700 -0.144 0.000 2.566 254 S HA 0.314 4.783 4.470 -0.001 0.000 0.280 254 S C -1.598 173.012 174.600 0.016 0.000 1.343 254 S CA 0.039 58.194 58.200 -0.074 0.000 1.036 254 S CB 0.219 63.425 63.200 0.010 0.000 0.866 254 S HN 0.423 nan 8.310 nan 0.000 0.526 255 P HA -0.142 nan 4.420 nan 0.000 0.216 255 P C 1.660 179.043 177.300 0.137 0.000 1.153 255 P CA 2.113 65.226 63.100 0.021 0.000 0.858 255 P CB -0.300 31.380 31.700 -0.035 0.000 0.789 256 A N -0.892 122.001 122.820 0.120 0.000 1.902 256 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 256 A C 2.167 179.973 177.584 0.370 0.000 1.181 256 A CA 1.655 53.808 52.037 0.194 0.000 0.623 256 A CB -1.629 17.455 19.000 0.140 0.000 0.818 256 A HN 0.179 nan 8.150 nan 0.000 0.443 257 L N -1.048 120.360 121.223 0.308 0.000 2.072 257 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 257 L C 2.352 179.469 176.870 0.412 0.000 1.079 257 L CA 2.439 57.499 54.840 0.367 0.000 0.752 257 L CB -0.838 41.359 42.059 0.230 0.000 0.906 257 L HN 0.612 nan 8.230 nan 0.000 0.436 258 H N -0.974 118.255 119.070 0.264 0.000 2.321 258 H HA -0.306 4.249 4.556 -0.001 0.000 0.295 258 H C 2.147 177.643 175.328 0.280 0.000 1.102 258 H CA 2.540 58.764 56.048 0.292 0.000 1.266 258 H CB -0.434 29.396 29.762 0.114 0.000 1.363 258 H HN 0.470 nan 8.280 nan 0.000 0.492 259 F N 0.589 120.645 119.950 0.177 0.000 2.115 259 F HA -0.286 4.241 4.527 -0.001 0.000 0.300 259 F C 1.944 177.607 175.800 -0.229 0.000 1.092 259 F CA 1.873 59.818 58.000 -0.093 0.000 1.245 259 F CB -0.665 38.141 39.000 -0.323 0.000 0.995 259 F HN 0.063 nan 8.300 nan 0.000 0.481 260 F N -0.686 119.377 119.950 0.188 0.000 2.569 260 F HA 0.063 4.589 4.527 -0.001 0.000 0.295 260 F C 1.993 177.776 175.800 -0.028 0.000 1.115 260 F CA 0.465 58.516 58.000 0.085 0.000 1.450 260 F CB -0.500 38.630 39.000 0.217 0.000 1.107 260 F HN -0.089 nan 8.300 nan 0.000 0.563 261 L N -1.776 119.505 121.223 0.096 0.000 2.131 261 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 261 L C 1.326 177.950 176.870 -0.410 0.000 1.087 261 L CA 1.258 56.014 54.840 -0.140 0.000 0.767 261 L CB -0.371 41.602 42.059 -0.144 0.000 0.917 261 L HN 0.137 nan 8.230 nan 0.000 0.441 262 Y N -1.105 119.032 120.300 -0.271 0.000 2.467 262 Y HA 0.212 4.762 4.550 -0.001 0.000 0.250 262 Y C 0.477 176.229 175.900 -0.247 0.000 1.155 262 Y CA -0.441 57.490 58.100 -0.281 0.000 1.249 262 Y CB 0.377 38.592 38.460 -0.408 0.000 1.146 262 Y HN 0.118 nan 8.280 nan 0.000 0.524 263 N N -0.194 118.377 118.700 -0.215 0.000 2.312 263 N HA 0.099 4.838 4.740 -0.001 0.000 0.296 263 N C -1.698 173.714 175.510 -0.164 0.000 1.193 263 N CA -0.574 52.325 53.050 -0.251 0.000 0.773 263 N CB 1.837 40.016 38.487 -0.513 0.000 1.435 263 N HN -0.083 nan 8.380 nan 0.000 0.484 264 D N 1.590 121.930 120.400 -0.099 0.000 2.456 264 D HA 0.260 4.900 4.640 -0.001 0.000 0.219 264 D C -0.562 175.747 176.300 0.016 0.000 1.126 264 D CA -0.297 53.686 54.000 -0.028 0.000 0.890 264 D CB 0.188 40.977 40.800 -0.017 0.000 1.025 264 D HN 0.269 nan 8.370 nan 0.000 0.511 265 I N 3.831 124.454 120.570 0.089 0.000 2.315 265 I HA 0.282 4.452 4.170 -0.001 0.000 0.291 265 I C 0.282 176.523 176.117 0.207 0.000 1.006 265 I CA -0.723 60.697 61.300 0.200 0.000 1.265 265 I CB 0.381 38.628 38.000 0.411 0.000 1.387 265 I HN 0.337 nan 8.210 nan 0.000 0.475 266 N N 3.575 122.391 118.700 0.194 0.000 2.761 266 N HA 0.260 4.999 4.740 -0.001 0.000 0.283 266 N C 0.890 176.536 175.510 0.227 0.000 1.377 266 N CA -0.719 52.437 53.050 0.175 0.000 0.791 266 N CB 0.586 39.154 38.487 0.135 0.000 1.540 266 N HN 0.410 nan 8.380 nan 0.000 0.539 267 H N -0.320 118.828 119.070 0.130 0.000 2.319 267 H HA -0.141 4.414 4.556 -0.001 0.000 0.297 267 H C 0.619 176.121 175.328 0.291 0.000 1.097 267 H CA 2.740 58.901 56.048 0.189 0.000 1.285 267 H CB -0.088 29.754 29.762 0.133 0.000 1.368 267 H HN 0.659 nan 8.280 nan 0.000 0.495 268 T N 0.475 115.187 114.554 0.263 0.000 2.652 268 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 268 T C 1.895 176.683 174.700 0.147 0.000 1.039 268 T CA 1.750 63.964 62.100 0.189 0.000 1.153 268 T CB -0.246 68.714 68.868 0.153 0.000 0.863 268 T HN 0.313 nan 8.240 nan 0.000 0.428 269 E N 0.443 120.732 120.200 0.149 0.000 2.077 269 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 269 E C 1.732 178.408 176.600 0.126 0.000 0.989 269 E CA 1.027 57.503 56.400 0.127 0.000 0.800 269 E CB -0.537 29.241 29.700 0.130 0.000 0.746 269 E HN 0.522 nan 8.360 nan 0.000 0.452 270 F N 0.328 120.278 119.950 -0.000 0.000 2.134 270 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 270 F C 2.356 178.033 175.800 -0.205 0.000 1.097 270 F CA 1.918 59.861 58.000 -0.094 0.000 1.264 270 F CB -0.078 38.797 39.000 -0.208 0.000 1.001 270 F HN 0.210 nan 8.300 nan 0.000 0.479 271 H N -0.761 118.345 119.070 0.060 0.000 2.403 271 H HA -0.025 4.531 4.556 -0.001 0.000 0.298 271 H C 1.669 176.973 175.328 -0.039 0.000 1.059 271 H CA 1.375 57.413 56.048 -0.018 0.000 1.363 271 H CB -0.226 29.483 29.762 -0.089 0.000 1.410 271 H HN 0.282 nan 8.280 nan 0.000 0.528 272 N N 0.892 119.644 118.700 0.086 0.000 2.368 272 N HA -0.092 4.647 4.740 -0.001 0.000 0.176 272 N C 0.583 176.097 175.510 0.007 0.000 1.021 272 N CA 0.331 53.410 53.050 0.048 0.000 0.888 272 N CB -0.041 38.480 38.487 0.058 0.000 0.995 272 N HN 0.162 nan 8.380 nan 0.000 0.437 273 N N 2.140 120.833 118.700 -0.012 0.000 2.439 273 N HA 0.172 4.911 4.740 -0.001 0.000 0.249 273 N C -1.962 173.485 175.510 -0.105 0.000 1.003 273 N CA -1.990 51.044 53.050 -0.028 0.000 0.942 273 N CB 1.536 40.036 38.487 0.022 0.000 1.115 273 N HN -0.039 nan 8.380 nan 0.000 0.505 274 P HA -0.027 nan 4.420 nan 0.000 0.230 274 P C 0.133 177.314 177.300 -0.199 0.000 1.158 274 P CA 0.694 63.706 63.100 -0.146 0.000 0.769 274 P CB 0.545 32.190 31.700 -0.091 0.000 0.807 275 D N -0.663 119.620 120.400 -0.195 0.000 2.264 275 D HA -0.091 4.549 4.640 -0.001 0.000 0.208 275 D C 1.909 177.864 176.300 -0.576 0.000 0.966 275 D CA 0.656 54.455 54.000 -0.335 0.000 0.864 275 D CB -0.690 39.954 40.800 -0.259 0.000 0.933 275 D HN 0.165 nan 8.370 nan 0.000 0.499 276 C N 0.281 119.333 119.300 -0.413 0.000 2.436 276 C HA -0.099 4.360 4.460 -0.001 0.000 0.277 276 C C 2.659 177.398 174.990 -0.419 0.000 1.241 276 C CA 0.031 58.804 59.018 -0.408 0.000 1.721 276 C CB -1.006 26.414 27.740 -0.533 0.000 2.043 276 C HN 0.292 nan 8.230 nan 0.000 0.472 277 L N 1.294 122.158 121.223 -0.597 0.000 2.046 277 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 277 L C 2.510 179.351 176.870 -0.048 0.000 1.077 277 L CA 1.921 56.591 54.840 -0.282 0.000 0.747 277 L CB -0.872 41.032 42.059 -0.258 0.000 0.896 277 L HN 0.302 nan 8.230 nan 0.000 0.432 278 E N -0.231 119.881 120.200 -0.146 0.000 2.110 278 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 278 E C 1.978 178.530 176.600 -0.081 0.000 0.988 278 E CA 1.189 57.525 56.400 -0.108 0.000 0.804 278 E CB -0.427 29.175 29.700 -0.164 0.000 0.745 278 E HN 0.633 nan 8.360 nan 0.000 0.458 279 N N -0.045 118.557 118.700 -0.163 0.000 2.300 279 N HA -0.089 4.651 4.740 -0.001 0.000 0.179 279 N C 1.784 177.462 175.510 0.281 0.000 1.016 279 N CA 0.343 53.360 53.050 -0.055 0.000 0.876 279 N CB -0.268 37.967 38.487 -0.421 0.000 0.979 279 N HN 0.102 nan 8.380 nan 0.000 0.432 280 F N 2.285 122.411 119.950 0.293 0.000 2.134 280 F HA -0.022 4.505 4.527 -0.001 0.000 0.299 280 F C 2.204 178.090 175.800 0.144 0.000 1.097 280 F CA 0.920 59.092 58.000 0.287 0.000 1.264 280 F CB -0.244 38.979 39.000 0.372 0.000 1.001 280 F HN -0.111 nan 8.300 nan 0.000 0.479 281 I N 0.140 120.866 120.570 0.260 0.000 2.315 281 I HA -0.324 3.846 4.170 -0.001 0.000 0.251 281 I C 1.732 177.856 176.117 0.013 0.000 1.125 281 I CA 1.288 62.666 61.300 0.130 0.000 1.392 281 I CB -0.389 37.683 38.000 0.120 0.000 1.065 281 I HN 0.307 nan 8.210 nan 0.000 0.424 282 Q N 0.198 120.001 119.800 0.007 0.000 2.360 282 Q HA 0.199 4.538 4.340 -0.001 0.000 0.202 282 Q C 0.308 176.286 176.000 -0.036 0.000 0.915 282 Q CA 0.259 56.056 55.803 -0.011 0.000 0.943 282 Q CB 0.502 29.244 28.738 0.007 0.000 1.064 282 Q HN 0.475 nan 8.270 nan 0.000 0.511 283 L N 2.435 123.589 121.223 -0.115 0.000 2.305 283 L HA 0.164 4.503 4.340 -0.001 0.000 0.281 283 L C -0.108 176.665 176.870 -0.161 0.000 1.085 283 L CA -0.280 54.468 54.840 -0.153 0.000 0.813 283 L CB 0.743 42.617 42.059 -0.308 0.000 1.157 283 L HN 0.123 nan 8.230 nan 0.000 0.436 284 D N -0.684 119.666 120.400 -0.084 0.000 2.812 284 D HA 0.202 4.842 4.640 -0.001 0.000 0.318 284 D C -0.001 176.294 176.300 -0.007 0.000 1.234 284 D CA -0.599 53.361 54.000 -0.067 0.000 0.989 284 D CB 0.596 41.367 40.800 -0.048 0.000 1.442 284 D HN 0.188 nan 8.370 nan 0.000 0.537 285 D N -0.859 119.551 120.400 0.018 0.000 2.178 285 D HA -0.116 4.523 4.640 -0.001 0.000 0.201 285 D C 1.274 177.730 176.300 0.259 0.000 0.980 285 D CA 0.801 54.892 54.000 0.151 0.000 0.842 285 D CB -0.231 40.668 40.800 0.165 0.000 0.948 285 D HN 0.320 nan 8.370 nan 0.000 0.472 286 N N 1.180 119.975 118.700 0.158 0.000 2.149 286 N HA -0.130 4.610 4.740 -0.001 0.000 0.188 286 N C 1.176 176.759 175.510 0.122 0.000 1.019 286 N CA 0.873 54.014 53.050 0.152 0.000 0.857 286 N CB -0.110 38.425 38.487 0.079 0.000 0.997 286 N HN 0.364 nan 8.380 nan 0.000 0.426 287 D N 1.051 121.495 120.400 0.073 0.000 2.117 287 D HA -0.089 4.551 4.640 -0.001 0.000 0.197 287 D C 1.973 178.262 176.300 -0.019 0.000 0.987 287 D CA 0.637 54.662 54.000 0.042 0.000 0.829 287 D CB 0.094 40.912 40.800 0.031 0.000 0.961 287 D HN 0.193 nan 8.370 nan 0.000 0.460 288 I N -0.179 120.368 120.570 -0.038 0.000 2.233 288 I HA -0.178 3.991 4.170 -0.001 0.000 0.243 288 I C 2.342 178.254 176.117 -0.342 0.000 1.093 288 I CA 0.818 61.987 61.300 -0.217 0.000 1.380 288 I CB -1.433 36.442 38.000 -0.208 0.000 1.067 288 I HN 0.123 nan 8.210 nan 0.000 0.413 289 W N 1.425 122.689 121.300 -0.060 0.000 2.402 289 W HA -0.129 4.531 4.660 -0.001 0.000 0.286 289 W C 2.715 179.148 176.519 -0.144 0.000 1.221 289 W CA 1.299 58.590 57.345 -0.089 0.000 1.257 289 W CB -0.865 28.584 29.460 -0.017 0.000 1.120 289 W HN 0.012 nan 8.180 nan 0.000 0.551 290 T N 0.051 114.655 114.554 0.083 0.000 2.777 290 T HA -0.176 4.174 4.350 -0.001 0.000 0.266 290 T C 2.034 176.617 174.700 -0.194 0.000 1.040 290 T CA 1.683 63.781 62.100 -0.004 0.000 1.141 290 T CB -0.767 68.160 68.868 0.098 0.000 0.868 290 T HN 0.173 nan 8.240 nan 0.000 0.444 291 A N 1.549 124.167 122.820 -0.336 0.000 1.865 291 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 291 A C 2.317 179.186 177.584 -1.191 0.000 1.191 291 A CA 1.425 52.885 52.037 -0.962 0.000 0.623 291 A CB -1.036 17.186 19.000 -1.296 0.000 0.826 291 A HN 0.470 nan 8.150 nan 0.000 0.444 292 L N -0.911 119.877 121.223 -0.726 0.000 2.042 292 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 292 L C 2.641 179.435 176.870 -0.127 0.000 1.076 292 L CA 2.015 56.649 54.840 -0.344 0.000 0.749 292 L CB -0.486 41.396 42.059 -0.295 0.000 0.893 292 L HN 0.373 nan 8.230 nan 0.000 0.432 293 K N -0.482 119.858 120.400 -0.101 0.000 2.032 293 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 293 K C 1.965 178.514 176.600 -0.086 0.000 1.048 293 K CA 1.447 57.707 56.287 -0.045 0.000 0.927 293 K CB -0.238 32.239 32.500 -0.039 0.000 0.712 293 K HN 0.099 nan 8.250 nan 0.000 0.441 294 V N -0.292 119.495 119.914 -0.212 0.000 2.453 294 V HA -0.168 3.952 4.120 -0.001 0.000 0.247 294 V C 1.721 177.899 176.094 0.140 0.000 1.048 294 V CA 1.184 63.381 62.300 -0.171 0.000 1.049 294 V CB -0.498 31.009 31.823 -0.527 0.000 0.672 294 V HN 0.420 nan 8.190 nan 0.000 0.457 295 W N 0.943 122.261 121.300 0.030 0.000 2.525 295 W HA -0.047 4.612 4.660 -0.001 0.000 0.259 295 W C 2.787 179.344 176.519 0.064 0.000 1.253 295 W CA 1.049 58.433 57.345 0.065 0.000 1.262 295 W CB -1.409 28.046 29.460 -0.009 0.000 1.122 295 W HN 0.510 nan 8.180 nan 0.000 0.607 296 S N 0.127 115.968 115.700 0.235 0.000 2.474 296 S HA -0.155 4.314 4.470 -0.001 0.000 0.235 296 S C 1.048 175.734 174.600 0.144 0.000 0.997 296 S CA 1.200 59.498 58.200 0.162 0.000 0.949 296 S CB -0.779 62.486 63.200 0.108 0.000 0.766 296 S HN 0.377 nan 8.310 nan 0.000 0.517 297 N N 0.254 119.044 118.700 0.150 0.000 2.214 297 N HA 0.156 4.896 4.740 -0.001 0.000 0.214 297 N C 0.065 175.658 175.510 0.138 0.000 1.132 297 N CA -0.240 52.878 53.050 0.114 0.000 0.856 297 N CB 0.152 38.679 38.487 0.067 0.000 1.020 297 N HN 0.428 nan 8.380 nan 0.000 0.509 298 H N 1.519 120.652 119.070 0.105 0.000 2.790 298 H HA 0.050 4.606 4.556 -0.001 0.000 0.358 298 H C -1.496 173.858 175.328 0.043 0.000 1.103 298 H CA -0.907 55.189 56.048 0.079 0.000 1.426 298 H CB 1.361 31.157 29.762 0.056 0.000 1.424 298 H HN 0.004 nan 8.280 nan 0.000 0.599 299 P HA -0.088 nan 4.420 nan 0.000 0.220 299 P C -0.101 177.263 177.300 0.106 0.000 1.148 299 P CA 0.803 63.869 63.100 -0.056 0.000 0.803 299 P CB 0.085 31.690 31.700 -0.160 0.000 0.782 300 D N -0.522 120.082 120.400 0.339 0.000 2.487 300 D HA -0.067 4.572 4.640 -0.001 0.000 0.243 300 D C 1.404 177.778 176.300 0.123 0.000 1.154 300 D CA 0.292 54.410 54.000 0.197 0.000 0.876 300 D CB 0.648 41.514 40.800 0.110 0.000 1.161 300 D HN -0.251 nan 8.370 nan 0.000 0.478 301 K N 2.640 123.091 120.400 0.085 0.000 2.057 301 K HA -0.075 4.245 4.320 -0.001 0.000 0.206 301 K C 1.571 178.249 176.600 0.129 0.000 1.050 301 K CA 1.038 57.377 56.287 0.085 0.000 0.935 301 K CB -0.238 32.295 32.500 0.055 0.000 0.715 301 K HN 0.409 nan 8.250 nan 0.000 0.439 302 V N 0.978 120.972 119.914 0.134 0.000 2.223 302 V HA -0.239 3.881 4.120 -0.001 0.000 0.244 302 V C 2.250 178.394 176.094 0.084 0.000 1.045 302 V CA 1.873 64.310 62.300 0.229 0.000 1.000 302 V CB -0.617 31.247 31.823 0.068 0.000 0.635 302 V HN 0.332 nan 8.190 nan 0.000 0.445 303 L N 1.064 122.229 121.223 -0.097 0.000 2.013 303 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 303 L C 2.678 179.550 176.870 0.003 0.000 1.073 303 L CA 2.677 57.417 54.840 -0.167 0.000 0.753 303 L CB -0.711 41.130 42.059 -0.363 0.000 0.890 303 L HN 0.560 nan 8.230 nan 0.000 0.432 304 S N -3.317 112.430 115.700 0.078 0.000 2.406 304 S HA -0.126 4.344 4.470 -0.001 0.000 0.228 304 S C 1.828 176.514 174.600 0.143 0.000 1.020 304 S CA 1.216 59.498 58.200 0.137 0.000 0.965 304 S CB -0.896 62.395 63.200 0.151 0.000 0.798 304 S HN 0.492 nan 8.310 nan 0.000 0.488 305 T N 2.944 117.605 114.554 0.177 0.000 2.812 305 T HA 0.195 4.545 4.350 -0.001 0.000 0.264 305 T C 1.717 176.571 174.700 0.257 0.000 1.042 305 T CA 1.175 63.408 62.100 0.223 0.000 1.140 305 T CB -0.465 68.561 68.868 0.263 0.000 0.870 305 T HN 0.276 nan 8.240 nan 0.000 0.445 306 L N 0.756 122.121 121.223 0.236 0.000 1.994 306 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 306 L C 2.902 179.787 176.870 0.025 0.000 1.071 306 L CA 1.119 56.007 54.840 0.080 0.000 0.745 306 L CB -0.672 41.327 42.059 -0.100 0.000 0.892 306 L HN 0.214 nan 8.230 nan 0.000 0.431 307 S N -0.055 115.678 115.700 0.055 0.000 2.370 307 S HA -0.193 4.276 4.470 -0.001 0.000 0.226 307 S C 1.827 176.475 174.600 0.079 0.000 1.033 307 S CA 1.363 59.603 58.200 0.066 0.000 1.011 307 S CB -0.351 62.949 63.200 0.166 0.000 0.852 307 S HN 0.213 nan 8.310 nan 0.000 0.457 308 L N 1.743 123.030 121.223 0.106 0.000 2.093 308 L HA 0.178 4.518 4.340 -0.001 0.000 0.208 308 L C 1.482 178.419 176.870 0.113 0.000 1.085 308 L CA 0.967 55.871 54.840 0.107 0.000 0.755 308 L CB -1.529 40.594 42.059 0.106 0.000 0.904 308 L HN 0.261 nan 8.230 nan 0.000 0.435 312 N N 2.807 121.590 118.700 0.138 0.000 2.280 312 N HA 0.183 4.923 4.740 -0.001 0.000 0.192 312 N C 0.352 175.911 175.510 0.082 0.000 1.109 312 N CA 0.197 53.300 53.050 0.089 0.000 0.855 312 N CB 0.261 38.793 38.487 0.076 0.000 0.974 312 N HN 0.331 nan 8.380 nan 0.000 0.482 313 R N 1.120 121.693 120.500 0.122 0.000 3.333 313 R HA -0.208 4.131 4.340 -0.001 0.000 0.256 313 R C -0.887 175.450 176.300 0.063 0.000 1.010 313 R CA 0.200 56.348 56.100 0.080 0.000 0.680 313 R CB -2.051 28.248 30.300 -0.002 0.000 1.102 313 R HN 0.193 nan 8.270 nan 0.000 0.440 314 N N 1.519 120.279 118.700 0.100 0.000 2.678 314 N HA 0.193 4.932 4.740 -0.001 0.000 0.231 314 N C -0.373 175.216 175.510 0.132 0.000 1.038 314 N CA -0.603 52.508 53.050 0.102 0.000 0.932 314 N CB 0.430 38.983 38.487 0.111 0.000 1.176 314 N HN 0.187 nan 8.380 nan 0.000 0.511 315 I N 2.998 123.634 120.570 0.109 0.000 2.440 315 I HA 0.294 4.464 4.170 -0.001 0.000 0.294 315 I C 0.565 176.812 176.117 0.216 0.000 0.995 315 I CA -0.821 60.553 61.300 0.123 0.000 1.306 315 I CB -0.135 37.902 38.000 0.061 0.000 1.407 315 I HN 0.262 nan 8.210 nan 0.000 0.501 316 F N 3.793 123.775 119.950 0.053 0.000 2.623 316 F HA -0.084 4.442 4.527 -0.001 0.000 0.381 316 F C 1.238 176.965 175.800 -0.122 0.000 1.081 316 F CA 0.081 58.069 58.000 -0.020 0.000 1.293 316 F CB -0.240 38.763 39.000 0.004 0.000 1.006 316 F HN 0.434 nan 8.300 nan 0.000 0.578 317 K N 2.126 122.437 120.400 -0.148 0.000 2.382 317 K HA 0.399 4.718 4.320 -0.001 0.000 0.275 317 K C -1.303 175.117 176.600 -0.301 0.000 1.009 317 K CA -0.245 55.865 56.287 -0.295 0.000 0.970 317 K CB 0.606 32.797 32.500 -0.515 0.000 0.934 317 K HN 0.390 nan 8.250 nan 0.000 0.479 318 V N 3.875 123.739 119.914 -0.083 0.000 2.577 318 V HA 0.281 4.401 4.120 -0.001 0.000 0.303 318 V C -0.859 175.303 176.094 0.112 0.000 1.042 318 V CA -0.853 61.480 62.300 0.055 0.000 0.872 318 V CB 1.592 33.493 31.823 0.130 0.000 0.998 318 V HN 0.866 nan 8.190 nan 0.000 0.423 319 E N 3.929 124.239 120.200 0.183 0.000 2.221 319 E HA 0.535 4.885 4.350 -0.001 0.000 0.268 319 E C -0.931 175.785 176.600 0.193 0.000 0.933 319 E CA -0.830 55.676 56.400 0.176 0.000 0.809 319 E CB 2.123 31.939 29.700 0.194 0.000 1.190 319 E HN 0.845 nan 8.360 nan 0.000 0.406 320 N N 0.554 119.322 118.700 0.112 0.000 2.240 320 N HA 0.384 5.124 4.740 -0.001 0.000 0.302 320 N C -1.373 174.137 175.510 -0.001 0.000 1.106 320 N CA -0.638 52.419 53.050 0.013 0.000 0.778 320 N CB 2.238 40.662 38.487 -0.106 0.000 1.431 320 N HN 0.318 nan 8.380 nan 0.000 0.479 321 S N -0.599 115.098 115.700 -0.005 0.000 2.569 321 S HA 0.642 5.111 4.470 -0.001 0.000 0.280 321 S C 0.331 174.975 174.600 0.073 0.000 1.111 321 S CA -0.286 57.931 58.200 0.028 0.000 0.887 321 S CB 1.458 64.681 63.200 0.037 0.000 1.095 321 S HN 0.751 nan 8.310 nan 0.000 0.476 322 A N 2.454 125.307 122.820 0.055 0.000 2.119 322 A HA 0.292 4.611 4.320 -0.001 0.000 0.216 322 A C 0.568 178.262 177.584 0.182 0.000 1.152 322 A CA 0.635 52.732 52.037 0.101 0.000 0.708 322 A CB -0.236 18.784 19.000 0.033 0.000 0.805 322 A HN 0.808 nan 8.150 nan 0.000 0.460 323 E N -0.256 119.962 120.200 0.029 0.000 2.263 323 E HA 0.402 4.752 4.350 -0.001 0.000 0.264 323 E C -2.755 173.494 176.600 -0.584 0.000 0.923 323 E CA -2.720 53.543 56.400 -0.228 0.000 0.802 323 E CB 0.911 30.518 29.700 -0.155 0.000 1.228 323 E HN -0.021 nan 8.360 nan 0.000 0.417 324 P HA -0.080 nan 4.420 nan 0.000 0.266 324 P C -0.674 176.434 177.300 -0.321 0.000 1.186 324 P CA 0.173 62.720 63.100 -0.922 0.000 0.767 324 P CB 0.336 31.676 31.700 -0.601 0.000 0.820 325 I N 1.955 122.445 120.570 -0.133 0.000 2.471 325 I HA 0.189 4.358 4.170 -0.001 0.000 0.286 325 I C 1.363 177.451 176.117 -0.047 0.000 1.079 325 I CA 0.508 61.786 61.300 -0.036 0.000 1.398 325 I CB -0.114 37.915 38.000 0.049 0.000 1.403 325 I HN 0.296 nan 8.210 nan 0.000 0.530 326 G N 4.701 113.473 108.800 -0.047 0.000 2.365 326 G HA2 0.018 3.978 3.960 -0.001 0.000 0.249 326 G HA3 0.018 3.978 3.960 -0.001 0.000 0.249 326 G C 0.809 175.690 174.900 -0.031 0.000 1.288 326 G CA -0.356 44.717 45.100 -0.044 0.000 0.887 326 G HN 0.830 nan 8.290 nan 0.000 0.524 327 E N 1.348 121.531 120.200 -0.028 0.000 2.171 327 E HA -0.202 4.148 4.350 -0.001 0.000 0.197 327 E C 1.154 177.738 176.600 -0.027 0.000 0.997 327 E CA 1.525 57.912 56.400 -0.022 0.000 0.810 327 E CB 0.164 29.852 29.700 -0.019 0.000 0.738 327 E HN 0.561 nan 8.360 nan 0.000 0.467 328 D N -0.312 120.070 120.400 -0.030 0.000 2.149 328 D HA -0.123 4.516 4.640 -0.001 0.000 0.201 328 D C 1.988 178.262 176.300 -0.043 0.000 0.972 328 D CA 0.641 54.621 54.000 -0.033 0.000 0.835 328 D CB -0.184 40.598 40.800 -0.030 0.000 0.966 328 D HN 0.014 nan 8.370 nan 0.000 0.476 329 R N 1.012 121.484 120.500 -0.047 0.000 2.073 329 R HA -0.025 4.314 4.340 -0.001 0.000 0.234 329 R C 2.203 178.453 176.300 -0.084 0.000 1.134 329 R CA 0.994 57.054 56.100 -0.066 0.000 0.952 329 R CB -0.932 29.334 30.300 -0.057 0.000 0.850 329 R HN 0.197 nan 8.270 nan 0.000 0.433 330 I N 0.354 120.889 120.570 -0.057 0.000 2.127 330 I HA -0.360 3.809 4.170 -0.001 0.000 0.241 330 I C 2.250 178.334 176.117 -0.055 0.000 1.075 330 I CA 1.870 63.140 61.300 -0.051 0.000 1.334 330 I CB -0.298 37.691 38.000 -0.018 0.000 1.040 330 I HN 0.046 nan 8.210 nan 0.000 0.405 331 K N -0.023 120.351 120.400 -0.043 0.000 2.063 331 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 331 K C 1.911 178.481 176.600 -0.050 0.000 1.048 331 K CA 1.551 57.815 56.287 -0.038 0.000 0.928 331 K CB -0.687 31.795 32.500 -0.030 0.000 0.713 331 K HN 0.559 nan 8.250 nan 0.000 0.442 332 E N 0.445 120.608 120.200 -0.063 0.000 2.031 332 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 332 E C 2.138 178.682 176.600 -0.094 0.000 0.994 332 E CA 1.492 57.850 56.400 -0.071 0.000 0.800 332 E CB -0.146 29.508 29.700 -0.076 0.000 0.752 332 E HN 0.352 nan 8.360 nan 0.000 0.447 333 L N 0.503 121.642 121.223 -0.140 0.000 2.012 333 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 333 L C 2.743 179.549 176.870 -0.107 0.000 1.073 333 L CA 1.760 56.486 54.840 -0.190 0.000 0.748 333 L CB -0.580 41.276 42.059 -0.338 0.000 0.891 333 L HN 0.217 nan 8.230 nan 0.000 0.431 334 T N 0.215 114.727 114.554 -0.069 0.000 2.720 334 T HA -0.200 4.149 4.350 -0.001 0.000 0.268 334 T C 1.865 176.551 174.700 -0.024 0.000 1.037 334 T CA 1.117 63.202 62.100 -0.025 0.000 1.144 334 T CB -0.204 68.658 68.868 -0.010 0.000 0.864 334 T HN 0.175 nan 8.240 nan 0.000 0.444 335 L N 1.212 122.414 121.223 -0.035 0.000 2.027 335 L HA -0.098 4.242 4.340 -0.001 0.000 0.206 335 L C 2.453 179.301 176.870 -0.037 0.000 1.074 335 L CA 1.800 56.622 54.840 -0.030 0.000 0.745 335 L CB -0.943 41.097 42.059 -0.031 0.000 0.898 335 L HN 0.309 nan 8.230 nan 0.000 0.433 336 Q N -0.095 119.676 119.800 -0.049 0.000 2.112 336 Q HA -0.248 4.091 4.340 -0.001 0.000 0.206 336 Q C 2.201 178.170 176.000 -0.051 0.000 0.987 336 Q CA 2.055 57.829 55.803 -0.049 0.000 0.858 336 Q CB -0.190 28.512 28.738 -0.060 0.000 0.905 336 Q HN 0.600 nan 8.270 nan 0.000 0.420 337 I N 0.824 121.359 120.570 -0.059 0.000 2.333 337 I HA -0.222 3.947 4.170 -0.001 0.000 0.246 337 I C 2.675 178.731 176.117 -0.101 0.000 1.106 337 I CA 1.077 62.325 61.300 -0.087 0.000 1.411 337 I CB -0.336 37.617 38.000 -0.079 0.000 1.082 337 I HN 0.177 nan 8.210 nan 0.000 0.420 338 S N 0.626 116.292 115.700 -0.056 0.000 2.383 338 S HA -0.288 4.181 4.470 -0.001 0.000 0.229 338 S C 1.913 176.487 174.600 -0.043 0.000 1.030 338 S CA 1.361 59.537 58.200 -0.039 0.000 1.002 338 S CB -0.548 62.645 63.200 -0.010 0.000 0.829 338 S HN 0.508 nan 8.310 nan 0.000 0.467 339 Q N 0.702 120.478 119.800 -0.041 0.000 2.020 339 Q HA -0.061 4.279 4.340 -0.001 0.000 0.198 339 Q C 2.570 178.546 176.000 -0.041 0.000 0.974 339 Q CA 1.400 57.183 55.803 -0.034 0.000 0.829 339 Q CB -0.314 28.408 28.738 -0.028 0.000 0.894 339 Q HN 0.741 nan 8.270 nan 0.000 0.433 340 Q N 0.524 120.293 119.800 -0.051 0.000 2.135 340 Q HA -0.157 4.183 4.340 -0.001 0.000 0.204 340 Q C 1.683 177.642 176.000 -0.068 0.000 0.981 340 Q CA 1.073 56.845 55.803 -0.052 0.000 0.856 340 Q CB 0.144 28.851 28.738 -0.052 0.000 0.902 340 Q HN 0.387 nan 8.270 nan 0.000 0.425 341 L N -1.305 119.855 121.223 -0.104 0.000 2.554 341 L HA 0.246 4.585 4.340 -0.001 0.000 0.225 341 L C 0.932 177.759 176.870 -0.072 0.000 1.104 341 L CA 0.365 55.133 54.840 -0.120 0.000 0.866 341 L CB 0.330 42.244 42.059 -0.243 0.000 1.047 341 L HN 0.419 nan 8.230 nan 0.000 0.468 342 G N 2.529 111.297 108.800 -0.053 0.000 2.324 342 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.292 342 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.292 342 G C -0.076 174.815 174.900 -0.016 0.000 1.079 342 G CA 0.606 45.689 45.100 -0.027 0.000 1.026 342 G HN 0.456 nan 8.290 nan 0.000 0.506 343 I N -2.905 117.655 120.570 -0.016 0.000 3.145 343 I HA 0.881 5.050 4.170 -0.001 0.000 0.313 343 I C 0.632 176.764 176.117 0.025 0.000 1.122 343 I CA -0.712 60.597 61.300 0.015 0.000 0.987 343 I CB 1.897 39.917 38.000 0.033 0.000 1.236 343 I HN 0.298 nan 8.210 nan 0.000 0.453 344 T N 0.309 114.890 114.554 0.045 0.000 2.856 344 T HA 0.147 4.496 4.350 -0.001 0.000 0.306 344 T C 0.913 175.642 174.700 0.048 0.000 1.062 344 T CA -0.459 61.665 62.100 0.041 0.000 1.083 344 T CB 1.250 70.144 68.868 0.043 0.000 0.984 344 T HN 0.619 nan 8.240 nan 0.000 0.542 345 L N 2.083 123.324 121.223 0.030 0.000 2.042 345 L HA -0.062 4.278 4.340 -0.001 0.000 0.210 345 L C 2.960 179.852 176.870 0.037 0.000 1.076 345 L CA 2.290 57.146 54.840 0.026 0.000 0.749 345 L CB -1.197 40.868 42.059 0.010 0.000 0.893 345 L HN 0.986 nan 8.230 nan 0.000 0.432 346 S N -1.090 114.630 115.700 0.034 0.000 2.382 346 S HA -0.213 4.256 4.470 -0.001 0.000 0.228 346 S C 1.897 176.533 174.600 0.060 0.000 1.027 346 S CA 1.539 59.753 58.200 0.024 0.000 0.991 346 S CB -0.234 62.977 63.200 0.019 0.000 0.823 346 S HN 0.596 nan 8.310 nan 0.000 0.469 347 E N 0.563 120.843 120.200 0.133 0.000 2.150 347 E HA 0.001 4.351 4.350 -0.001 0.000 0.193 347 E C 2.238 179.060 176.600 0.370 0.000 0.985 347 E CA 0.867 57.434 56.400 0.278 0.000 0.814 347 E CB -0.266 29.576 29.700 0.236 0.000 0.752 347 E HN 0.654 nan 8.360 nan 0.000 0.466 348 A N 1.400 124.367 122.820 0.244 0.000 2.121 348 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 348 A C 1.633 179.373 177.584 0.260 0.000 1.154 348 A CA 0.883 53.090 52.037 0.283 0.000 0.679 348 A CB -0.321 18.745 19.000 0.110 0.000 0.795 348 A HN 0.134 nan 8.150 nan 0.000 0.458 349 N N -0.452 118.316 118.700 0.113 0.000 2.137 349 N HA -0.207 4.533 4.740 -0.001 0.000 0.190 349 N C 1.182 176.684 175.510 -0.012 0.000 1.017 349 N CA 1.578 54.625 53.050 -0.005 0.000 0.859 349 N CB -0.666 37.738 38.487 -0.140 0.000 1.002 349 N HN 0.633 nan 8.380 nan 0.000 0.428 350 Y N -0.677 119.644 120.300 0.034 0.000 2.465 350 Y HA -0.115 4.434 4.550 -0.001 0.000 0.289 350 Y C 1.127 176.853 175.900 -0.291 0.000 1.150 350 Y CA 0.840 58.842 58.100 -0.163 0.000 1.293 350 Y CB -0.422 37.849 38.460 -0.315 0.000 0.977 350 Y HN 0.042 nan 8.280 nan 0.000 0.556 351 F N -1.966 118.091 119.950 0.179 0.000 2.661 351 F HA 0.319 4.846 4.527 -0.001 0.000 0.306 351 F C -0.151 175.501 175.800 -0.246 0.000 1.094 351 F CA -0.301 57.690 58.000 -0.015 0.000 1.254 351 F CB 0.497 39.492 39.000 -0.010 0.000 1.040 351 F HN -0.405 nan 8.300 nan 0.000 0.562 352 V N -0.404 119.541 119.914 0.052 0.000 2.623 352 V HA 0.564 4.683 4.120 -0.001 0.000 0.304 352 V C -0.568 175.578 176.094 0.086 0.000 1.054 352 V CA -0.766 61.559 62.300 0.042 0.000 0.882 352 V CB 1.880 33.729 31.823 0.043 0.000 1.002 352 V HN -0.016 nan 8.190 nan 0.000 0.424 353 S N 2.445 118.227 115.700 0.136 0.000 2.540 353 S HA 0.764 5.233 4.470 -0.001 0.000 0.275 353 S C -0.274 174.434 174.600 0.179 0.000 1.123 353 S CA 0.071 58.363 58.200 0.154 0.000 0.907 353 S CB 2.033 65.352 63.200 0.199 0.000 1.081 353 S HN 1.048 nan 8.310 nan 0.000 0.476 354 T N 1.839 116.491 114.554 0.164 0.000 3.658 354 T HA 0.477 4.827 4.350 -0.001 0.000 0.245 354 T C -2.573 172.256 174.700 0.215 0.000 1.292 354 T CA -1.058 61.162 62.100 0.200 0.000 1.598 354 T CB 0.388 69.352 68.868 0.160 0.000 0.861 354 T HN 0.445 nan 8.240 nan 0.000 0.663 355 P HA 0.518 nan 4.420 nan 0.000 0.274 355 P C -0.415 177.084 177.300 0.332 0.000 1.237 355 P CA -0.216 63.021 63.100 0.229 0.000 0.793 355 P CB 1.247 33.052 31.700 0.174 0.000 0.977 356 S N 0.305 116.149 115.700 0.240 0.000 2.588 356 S HA 0.666 5.136 4.470 -0.001 0.000 0.275 356 S C -0.923 173.751 174.600 0.122 0.000 1.130 356 S CA -0.766 57.513 58.200 0.132 0.000 0.855 356 S CB 1.365 64.499 63.200 -0.110 0.000 1.116 356 S HN 0.376 nan 8.310 nan 0.000 0.472 357 I N 0.847 121.465 120.570 0.080 0.000 2.474 357 I HA 0.562 4.731 4.170 -0.001 0.000 0.294 357 I C -0.731 175.403 176.117 0.030 0.000 1.005 357 I CA -0.557 60.827 61.300 0.140 0.000 1.113 357 I CB 1.747 39.948 38.000 0.334 0.000 1.289 357 I HN 0.931 nan 8.210 nan 0.000 0.436 358 E N 7.403 127.635 120.200 0.052 0.000 2.186 358 E HA 0.358 4.708 4.350 -0.001 0.000 0.255 358 E C -1.344 175.308 176.600 0.086 0.000 0.881 358 E CA -0.685 55.744 56.400 0.048 0.000 0.752 358 E CB 0.900 30.614 29.700 0.024 0.000 1.176 358 E HN 0.523 nan 8.360 nan 0.000 0.421 359 K N 3.765 124.238 120.400 0.123 0.000 2.426 359 K HA 0.345 4.665 4.320 -0.001 0.000 0.254 359 K C -0.757 175.887 176.600 0.073 0.000 0.936 359 K CA -0.593 55.742 56.287 0.080 0.000 0.801 359 K CB 1.238 33.767 32.500 0.048 0.000 1.139 359 K HN 0.411 nan 8.250 nan 0.000 0.424 363 D N 8.825 128.817 120.400 -0.679 0.000 2.602 363 D HA 0.378 5.017 4.640 -0.001 0.000 0.245 363 D C -2.322 173.626 176.300 -0.587 0.000 1.325 363 D CA -2.103 51.624 54.000 -0.455 0.000 0.952 363 D CB 2.866 43.517 40.800 -0.248 0.000 1.317 363 D HN 0.285 nan 8.370 nan 0.000 0.577 364 P HA -0.092 nan 4.420 nan 0.000 0.220 364 P C 1.184 178.395 177.300 -0.149 0.000 1.148 364 P CA 0.689 63.625 63.100 -0.274 0.000 0.803 364 P CB 0.216 31.886 31.700 -0.050 0.000 0.782 365 A N 0.299 123.046 122.820 -0.121 0.000 2.032 365 A HA -0.197 4.122 4.320 -0.001 0.000 0.221 365 A C 1.765 179.306 177.584 -0.072 0.000 1.165 365 A CA 2.120 54.115 52.037 -0.069 0.000 0.645 365 A CB -0.874 18.095 19.000 -0.052 0.000 0.807 365 A HN 0.141 nan 8.150 nan 0.000 0.453 366 D N -1.670 118.650 120.400 -0.133 0.000 2.454 366 D HA 0.040 4.680 4.640 -0.001 0.000 0.219 366 D C 0.586 176.803 176.300 -0.138 0.000 1.081 366 D CA 0.342 54.269 54.000 -0.122 0.000 0.867 366 D CB 0.005 40.716 40.800 -0.149 0.000 1.054 366 D HN 0.368 nan 8.370 nan 0.000 0.500 367 D N 0.140 120.421 120.400 -0.199 0.000 2.392 367 D HA -0.010 4.630 4.640 -0.001 0.000 0.206 367 D C 0.437 176.733 176.300 -0.007 0.000 1.046 367 D CA 0.284 54.200 54.000 -0.139 0.000 0.865 367 D CB 0.603 41.224 40.800 -0.298 0.000 0.969 367 D HN -0.112 nan 8.370 nan 0.000 0.509 368 S N 1.104 116.795 115.700 -0.015 0.000 2.494 368 S HA 0.315 4.785 4.470 -0.001 0.000 0.312 368 S C -0.113 174.525 174.600 0.062 0.000 1.121 368 S CA -0.319 57.918 58.200 0.061 0.000 1.068 368 S CB -0.729 62.505 63.200 0.057 0.000 1.141 368 S HN 0.023 nan 8.310 nan 0.000 0.527 369 I N 3.937 124.554 120.570 0.079 0.000 2.465 369 I HA 0.377 4.547 4.170 -0.001 0.000 0.291 369 I C -0.550 175.600 176.117 0.056 0.000 1.014 369 I CA -0.855 60.487 61.300 0.070 0.000 1.093 369 I CB 1.900 39.957 38.000 0.095 0.000 1.267 369 I HN 0.380 nan 8.210 nan 0.000 0.431 370 D N 6.589 127.010 120.400 0.036 0.000 2.177 370 D HA 0.408 5.047 4.640 -0.001 0.000 0.247 370 D C -0.343 175.949 176.300 -0.014 0.000 1.063 370 D CA -0.163 53.852 54.000 0.025 0.000 0.867 370 D CB 2.207 43.022 40.800 0.026 0.000 1.168 370 D HN 0.118 nan 8.370 nan 0.000 0.445 371 I N 2.740 123.293 120.570 -0.029 0.000 2.354 371 I HA 0.345 4.515 4.170 -0.001 0.000 0.292 371 I C 0.411 176.422 176.117 -0.176 0.000 0.989 371 I CA -0.692 60.523 61.300 -0.141 0.000 1.188 371 I CB 1.272 39.152 38.000 -0.200 0.000 1.342 371 I HN 0.261 nan 8.210 nan 0.000 0.457 372 I N 6.823 127.262 120.570 -0.218 0.000 2.359 372 I HA 0.317 4.487 4.170 -0.001 0.000 0.294 372 I C -0.772 175.179 176.117 -0.277 0.000 0.987 372 I CA -0.280 60.930 61.300 -0.149 0.000 1.225 372 I CB 0.914 38.865 38.000 -0.081 0.000 1.366 372 I HN 0.329 nan 8.210 nan 0.000 0.466 373 Y N 5.696 125.979 120.300 -0.029 0.000 2.392 373 Y HA 0.392 4.941 4.550 -0.001 0.000 0.323 373 Y C 1.669 177.550 175.900 -0.031 0.000 1.291 373 Y CA -0.012 58.069 58.100 -0.031 0.000 1.345 373 Y CB 0.703 39.148 38.460 -0.024 0.000 1.320 373 Y HN 0.593 nan 8.280 nan 0.000 0.518 374 K N 0.248 120.735 120.400 0.146 0.000 2.152 374 K HA -0.179 4.141 4.320 -0.001 0.000 0.206 374 K C 0.916 177.548 176.600 0.054 0.000 1.048 374 K CA 2.080 58.404 56.287 0.062 0.000 0.933 374 K CB -1.082 31.447 32.500 0.048 0.000 0.721 374 K HN 0.817 nan 8.250 nan 0.000 0.447 375 D N -2.403 118.042 120.400 0.075 0.000 2.328 375 D HA 0.197 4.837 4.640 -0.001 0.000 0.226 375 D C 1.147 177.474 176.300 0.044 0.000 1.066 375 D CA 0.720 54.746 54.000 0.043 0.000 0.861 375 D CB -0.254 40.560 40.800 0.024 0.000 0.912 375 D HN 0.627 nan 8.370 nan 0.000 0.521 376 G N -0.517 108.319 108.800 0.061 0.000 2.179 376 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.260 376 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.260 376 G C 0.496 175.437 174.900 0.068 0.000 0.977 376 G CA 0.536 45.664 45.100 0.048 0.000 0.641 376 G HN 0.689 nan 8.290 nan 0.000 0.533 377 T N 0.385 114.999 114.554 0.100 0.000 2.898 377 T HA 0.566 4.915 4.350 -0.001 0.000 0.301 377 T C 0.380 175.206 174.700 0.209 0.000 1.049 377 T CA 0.068 62.232 62.100 0.107 0.000 1.095 377 T CB 0.255 69.142 68.868 0.032 0.000 0.976 377 T HN 0.461 nan 8.240 nan 0.000 0.539 378 I N 3.781 124.442 120.570 0.152 0.000 2.466 378 I HA 0.454 4.623 4.170 -0.001 0.000 0.289 378 I C -0.119 176.088 176.117 0.151 0.000 1.026 378 I CA -0.869 60.521 61.300 0.149 0.000 1.078 378 I CB 2.125 40.168 38.000 0.072 0.000 1.249 378 I HN 0.514 nan 8.210 nan 0.000 0.429 379 K N 4.055 124.576 120.400 0.202 0.000 2.318 379 K HA 0.347 4.666 4.320 -0.001 0.000 0.249 379 K C -0.475 176.193 176.600 0.115 0.000 0.942 379 K CA -0.912 55.474 56.287 0.165 0.000 0.808 379 K CB 1.966 34.614 32.500 0.246 0.000 1.189 379 K HN 0.478 nan 8.250 nan 0.000 0.428 380 N N 2.251 121.006 118.700 0.091 0.000 2.479 380 N HA -0.050 4.689 4.740 -0.001 0.000 0.257 380 N C 1.037 176.602 175.510 0.091 0.000 1.232 380 N CA 0.102 53.203 53.050 0.084 0.000 0.920 380 N CB 0.741 39.278 38.487 0.083 0.000 1.105 380 N HN 0.573 nan 8.380 nan 0.000 0.444 381 I N 4.363 124.986 120.570 0.089 0.000 2.248 381 I HA -0.273 3.897 4.170 -0.001 0.000 0.248 381 I C 2.113 178.289 176.117 0.098 0.000 1.107 381 I CA 1.737 63.093 61.300 0.092 0.000 1.373 381 I CB -0.607 37.453 38.000 0.100 0.000 1.055 381 I HN 0.705 nan 8.210 nan 0.000 0.418 382 A N -0.709 122.169 122.820 0.097 0.000 1.978 382 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 382 A C 2.199 179.815 177.584 0.054 0.000 1.170 382 A CA 2.034 54.112 52.037 0.068 0.000 0.636 382 A CB -0.606 18.419 19.000 0.040 0.000 0.810 382 A HN 0.518 nan 8.150 nan 0.000 0.448 383 E N -0.785 119.453 120.200 0.065 0.000 2.140 383 E HA 0.241 4.591 4.350 -0.001 0.000 0.191 383 E C 2.152 178.806 176.600 0.089 0.000 0.973 383 E CA 0.913 57.350 56.400 0.063 0.000 0.829 383 E CB -0.283 29.453 29.700 0.059 0.000 0.781 383 E HN 0.492 nan 8.360 nan 0.000 0.466 384 A N 0.160 123.053 122.820 0.122 0.000 1.969 384 A HA -0.023 4.296 4.320 -0.001 0.000 0.218 384 A C 1.530 179.197 177.584 0.138 0.000 1.169 384 A CA 0.763 52.902 52.037 0.169 0.000 0.635 384 A CB -0.263 18.841 19.000 0.173 0.000 0.810 384 A HN 0.164 nan 8.150 nan 0.000 0.445 385 S N 1.097 116.864 115.700 0.112 0.000 2.499 385 S HA 0.255 4.724 4.470 -0.001 0.000 0.275 385 S C -0.196 174.461 174.600 0.095 0.000 1.257 385 S CA -0.896 57.372 58.200 0.114 0.000 1.050 385 S CB 0.005 63.268 63.200 0.105 0.000 0.937 385 S HN 0.435 nan 8.310 nan 0.000 0.490 389 N N 0.644 119.355 118.700 0.019 0.000 2.823 389 N HA 0.484 5.223 4.740 -0.001 0.000 0.251 389 N C 0.125 175.586 175.510 -0.080 0.000 1.392 389 N CA -1.029 52.010 53.050 -0.019 0.000 0.864 389 N CB 0.968 39.446 38.487 -0.016 0.000 1.481 389 N HN 0.389 nan 8.380 nan 0.000 0.508 390 I N 0.027 120.495 120.570 -0.170 0.000 2.286 390 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 390 I C 1.554 177.523 176.117 -0.248 0.000 1.115 390 I CA 1.245 62.319 61.300 -0.376 0.000 1.392 390 I CB -1.185 36.559 38.000 -0.426 0.000 1.065 390 I HN 0.642 nan 8.210 nan 0.000 0.418 391 S N 1.085 116.707 115.700 -0.131 0.000 2.368 391 S HA -0.158 4.312 4.470 -0.001 0.000 0.225 391 S C 1.992 176.568 174.600 -0.040 0.000 1.030 391 S CA 1.027 59.182 58.200 -0.074 0.000 0.999 391 S CB -0.442 62.731 63.200 -0.046 0.000 0.844 391 S HN 0.346 nan 8.310 nan 0.000 0.459 392 L N 1.524 122.731 121.223 -0.027 0.000 2.083 392 L HA 0.018 4.358 4.340 -0.001 0.000 0.209 392 L C 1.775 178.660 176.870 0.024 0.000 1.083 392 L CA 1.710 56.552 54.840 0.004 0.000 0.752 392 L CB -0.360 41.707 42.059 0.014 0.000 0.899 392 L HN 0.284 nan 8.230 nan 0.000 0.433 393 L N -1.539 119.698 121.223 0.024 0.000 2.375 393 L HA 0.108 4.447 4.340 -0.001 0.000 0.215 393 L C 0.810 177.746 176.870 0.111 0.000 1.108 393 L CA -0.117 54.779 54.840 0.093 0.000 0.830 393 L CB -0.299 41.870 42.059 0.183 0.000 0.959 393 L HN 0.015 nan 8.230 nan 0.000 0.457 394 S N 1.687 117.410 115.700 0.039 0.000 2.430 394 S HA 0.253 4.722 4.470 -0.001 0.000 0.282 394 S C -0.023 174.614 174.600 0.061 0.000 1.186 394 S CA 0.021 58.257 58.200 0.060 0.000 1.060 394 S CB 0.279 63.467 63.200 -0.019 0.000 0.966 394 S HN 0.165 nan 8.310 nan 0.000 0.501 395 K N 3.057 123.509 120.400 0.087 0.000 2.635 395 K HA 0.168 4.488 4.320 -0.001 0.000 0.266 395 K C -1.317 175.335 176.600 0.087 0.000 1.033 395 K CA -0.459 55.873 56.287 0.076 0.000 0.919 395 K CB 0.957 33.505 32.500 0.081 0.000 1.289 395 K HN 0.463 nan 8.250 nan 0.000 0.463 396 K N 3.678 124.121 120.400 0.072 0.000 2.258 396 K HA 0.320 4.639 4.320 -0.001 0.000 0.284 396 K C -1.045 175.603 176.600 0.079 0.000 1.051 396 K CA -0.540 55.793 56.287 0.076 0.000 0.923 396 K CB 1.159 33.697 32.500 0.063 0.000 1.046 396 K HN 0.274 nan 8.250 nan 0.000 0.474 397 V N 5.126 125.107 119.914 0.111 0.000 2.448 397 V HA 0.325 4.445 4.120 -0.001 0.000 0.295 397 V C -0.651 175.495 176.094 0.086 0.000 1.025 397 V CA -0.820 61.542 62.300 0.103 0.000 0.859 397 V CB 1.553 33.489 31.823 0.188 0.000 0.988 397 V HN 0.740 nan 8.190 nan 0.000 0.431 398 K N 3.962 124.372 120.400 0.017 0.000 2.394 398 K HA 0.602 4.921 4.320 -0.001 0.000 0.260 398 K C -0.802 175.699 176.600 -0.165 0.000 0.967 398 K CA -0.639 55.601 56.287 -0.078 0.000 0.855 398 K CB 2.138 34.653 32.500 0.025 0.000 1.101 398 K HN 0.503 nan 8.250 nan 0.000 0.433 399 K N 2.735 122.939 120.400 -0.326 0.000 2.426 399 K HA 0.353 4.672 4.320 -0.001 0.000 0.254 399 K C -1.626 174.596 176.600 -0.630 0.000 0.936 399 K CA -0.686 55.365 56.287 -0.393 0.000 0.801 399 K CB 1.016 33.306 32.500 -0.348 0.000 1.139 399 K HN 0.404 nan 8.250 nan 0.000 0.424 400 Y N 2.969 123.090 120.300 -0.299 0.000 2.345 400 Y HA 0.310 4.860 4.550 -0.001 0.000 0.331 400 Y C -0.824 174.960 175.900 -0.194 0.000 0.959 400 Y CA -0.653 57.354 58.100 -0.156 0.000 1.204 400 Y CB 0.933 39.363 38.460 -0.050 0.000 1.135 400 Y HN 0.440 nan 8.280 nan 0.000 0.477 401 Y N 3.238 123.657 120.300 0.198 0.000 2.352 401 Y HA 0.516 5.065 4.550 -0.001 0.000 0.326 401 Y C -0.449 175.561 175.900 0.182 0.000 1.166 401 Y CA -1.088 57.114 58.100 0.171 0.000 1.182 401 Y CB 1.253 39.802 38.460 0.149 0.000 1.216 401 Y HN 0.424 nan 8.280 nan 0.000 0.474 402 L N 3.379 124.809 121.223 0.344 0.000 2.377 402 L HA 0.591 4.930 4.340 -0.001 0.000 0.270 402 L C -1.535 175.541 176.870 0.343 0.000 0.991 402 L CA -0.736 54.289 54.840 0.308 0.000 0.851 402 L CB 0.375 42.595 42.059 0.268 0.000 1.218 402 L HN 0.729 nan 8.230 nan 0.000 0.420 403 C N 5.320 124.804 119.300 0.306 0.000 2.351 403 C HA 0.883 5.342 4.460 -0.001 0.000 0.326 403 C C -0.733 174.347 174.990 0.150 0.000 1.272 403 C CA -0.666 58.493 59.018 0.235 0.000 1.650 403 C CB 0.093 28.028 27.740 0.324 0.000 2.257 403 C HN 0.795 nan 8.230 nan 0.000 0.505 404 Y N -0.282 119.917 120.300 -0.169 0.000 2.592 404 Y HA 0.594 5.143 4.550 -0.001 0.000 0.334 404 Y C -0.614 174.924 175.900 -0.604 0.000 1.136 404 Y CA -1.249 56.538 58.100 -0.523 0.000 1.042 404 Y CB 0.477 38.814 38.460 -0.205 0.000 1.325 404 Y HN 0.543 nan 8.280 nan 0.000 0.457 405 Q N 3.034 122.497 119.800 -0.560 0.000 2.269 405 Q HA 0.172 4.512 4.340 -0.001 0.000 0.300 405 Q C -0.331 175.723 176.000 0.090 0.000 1.070 405 Q CA 0.462 56.211 55.803 -0.090 0.000 0.957 405 Q CB 0.514 29.291 28.738 0.065 0.000 1.131 405 Q HN 0.815 nan 8.270 nan 0.000 0.377 406 R N 0.000 120.562 120.500 0.103 0.000 2.786 406 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 406 R CA 0.000 56.160 56.100 0.100 0.000 0.921 406 R CB 0.000 30.337 30.300 0.062 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535