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 3max_1_B DATA FIRST_RESID 15 DATA SEQUENCE KVCYYYDGDI GNYYYGQGHP MKPHRIRMTH NLLLNYGLYR KMEIYRPHKA DATA SEQUENCE TAEEMTKYHS DEYIKFLRSI RPDNMSEYSK QMQRFNVGED CPVFDGLFEF DATA SEQUENCE CQLSTGGSVA GAVKLNRQQT DMAVNWAGGL HHAKKSEASG FCYVNDIVLA DATA SEQUENCE ILELLKYHQR VLYIDIDIHH GDGVEEAFYT TDRVMTVSFH KYGEYFPGTG DATA SEQUENCE DLRDIGAGKG KYYAVNFPMR DGIDDESYGQ IFKPIISKVM EMYQPSAVVL DATA SEQUENCE QCGADSLSGD RLGCFNLTVK GHAKCVEVVK TFNLPLLMLG GGGYTIRNVA DATA SEQUENCE RCWTYETAVA LDCEIPNELP YNDYFEYFGP DFKLHISPSN MTNQNTPEYM DATA SEQUENCE EKIKQRLFEN LRML 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 15 K HA 0.000 nan 4.320 nan 0.000 0.191 15 K C 0.000 176.619 176.600 0.031 0.000 0.988 15 K CA 0.000 56.301 56.287 0.023 0.000 0.838 15 K CB 0.000 32.518 32.500 0.030 0.000 1.064 16 V N 3.683 123.616 119.914 0.030 0.000 2.487 16 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 16 V C 0.202 176.334 176.094 0.063 0.000 1.028 16 V CA -0.944 61.381 62.300 0.042 0.000 0.860 16 V CB 1.461 33.302 31.823 0.030 0.000 0.991 16 V HN 0.887 nan 8.190 nan 0.000 0.427 17 C N 4.050 123.407 119.300 0.096 0.000 2.493 17 C HA 0.916 5.376 4.460 -0.000 0.000 0.326 17 C C -0.853 174.203 174.990 0.110 0.000 1.200 17 C CA -0.972 58.122 59.018 0.127 0.000 1.739 17 C CB 0.960 28.854 27.740 0.257 0.000 2.300 17 C HN 0.926 nan 8.230 nan 0.000 0.500 18 Y N 1.276 121.489 120.300 -0.145 0.000 2.470 18 Y HA 0.662 5.212 4.550 -0.000 0.000 0.341 18 Y C -1.828 173.935 175.900 -0.229 0.000 1.021 18 Y CA -1.071 56.955 58.100 -0.123 0.000 1.025 18 Y CB 1.285 39.721 38.460 -0.040 0.000 1.266 18 Y HN 0.801 nan 8.280 nan 0.000 0.448 19 Y N 6.113 126.214 120.300 -0.333 0.000 2.352 19 Y HA 0.533 5.083 4.550 -0.000 0.000 0.339 19 Y C -1.233 174.526 175.900 -0.235 0.000 0.992 19 Y CA -0.779 57.224 58.100 -0.161 0.000 1.100 19 Y CB 1.682 40.058 38.460 -0.141 0.000 1.192 19 Y HN 0.641 nan 8.280 nan 0.000 0.458 20 Y N 2.871 123.153 120.300 -0.030 0.000 2.390 20 Y HA 0.270 4.820 4.550 -0.000 0.000 0.324 20 Y C -1.765 174.124 175.900 -0.018 0.000 1.151 20 Y CA -0.937 57.119 58.100 -0.073 0.000 1.053 20 Y CB 1.357 39.742 38.460 -0.125 0.000 1.277 20 Y HN 0.651 nan 8.280 nan 0.000 0.432 21 D N 3.461 123.495 120.400 -0.611 0.000 2.217 21 D HA 0.260 4.900 4.640 -0.000 0.000 0.243 21 D C 0.824 176.590 176.300 -0.889 0.000 1.054 21 D CA 0.107 53.801 54.000 -0.510 0.000 0.838 21 D CB 2.172 42.843 40.800 -0.214 0.000 1.162 21 D HN 0.997 nan 8.370 nan 0.000 0.472 22 G N 2.828 111.323 108.800 -0.508 0.000 2.535 22 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 22 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 22 G C 0.922 175.772 174.900 -0.084 0.000 1.122 22 G CA 0.294 45.253 45.100 -0.236 0.000 0.769 22 G HN 0.548 nan 8.290 nan 0.000 0.549 23 D N -0.271 120.088 120.400 -0.069 0.000 2.360 23 D HA 0.046 4.686 4.640 -0.000 0.000 0.210 23 D C 2.093 178.478 176.300 0.142 0.000 1.047 23 D CA -0.341 53.670 54.000 0.019 0.000 0.854 23 D CB 0.425 41.247 40.800 0.038 0.000 0.936 23 D HN 0.247 nan 8.370 nan 0.000 0.514 24 I N 1.484 122.141 120.570 0.146 0.000 2.194 24 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 24 I C 2.151 178.529 176.117 0.435 0.000 1.093 24 I CA 1.421 62.933 61.300 0.353 0.000 1.355 24 I CB -0.280 37.799 38.000 0.132 0.000 1.046 24 I HN -0.030 nan 8.210 nan 0.000 0.413 25 G N -0.414 108.556 108.800 0.283 0.000 2.744 25 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.211 25 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.211 25 G C 1.289 176.305 174.900 0.194 0.000 1.143 25 G CA 0.314 45.589 45.100 0.291 0.000 0.788 25 G HN 0.377 nan 8.290 nan 0.000 0.534 26 N N -0.388 118.345 118.700 0.054 0.000 2.373 26 N HA 0.072 4.812 4.740 -0.000 0.000 0.181 26 N C -0.364 174.998 175.510 -0.247 0.000 1.082 26 N CA -0.082 52.888 53.050 -0.133 0.000 0.885 26 N CB 0.142 38.490 38.487 -0.233 0.000 0.977 26 N HN 0.339 nan 8.380 nan 0.000 0.462 27 Y N 0.132 120.484 120.300 0.086 0.000 2.359 27 Y HA 0.164 4.713 4.550 -0.000 0.000 0.330 27 Y C -0.171 175.641 175.900 -0.146 0.000 1.143 27 Y CA -0.349 57.737 58.100 -0.022 0.000 1.318 27 Y CB 0.342 38.778 38.460 -0.040 0.000 1.234 27 Y HN -0.007 nan 8.280 nan 0.000 0.522 28 Y N 2.737 122.831 120.300 -0.343 0.000 2.346 28 Y HA 0.262 4.812 4.550 -0.000 0.000 0.332 28 Y C -0.569 174.933 175.900 -0.663 0.000 0.985 28 Y CA -1.828 56.059 58.100 -0.355 0.000 1.112 28 Y CB 0.484 38.835 38.460 -0.182 0.000 1.170 28 Y HN 0.720 nan 8.280 nan 0.000 0.447 29 Y N 3.798 123.370 120.300 -1.212 0.000 2.509 29 Y HA 0.258 4.808 4.550 -0.000 0.000 0.293 29 Y C 1.408 176.814 175.900 -0.824 0.000 1.133 29 Y CA 0.942 58.336 58.100 -1.177 0.000 1.283 29 Y CB 0.352 38.164 38.460 -1.080 0.000 1.001 29 Y HN 0.850 nan 8.280 nan 0.000 0.555 30 G N 0.344 108.482 108.800 -1.103 0.000 2.428 30 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.681 30 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.681 30 G C -1.293 173.306 174.900 -0.502 0.000 1.340 30 G CA -1.008 43.694 45.100 -0.664 0.000 0.915 30 G HN 0.052 nan 8.290 nan 0.000 0.645 31 Q N 0.113 119.862 119.800 -0.086 0.000 2.283 31 Q HA 0.377 4.717 4.340 -0.000 0.000 0.301 31 Q C 1.645 177.643 176.000 -0.003 0.000 1.063 31 Q CA 2.169 58.011 55.803 0.065 0.000 0.952 31 Q CB 0.027 28.828 28.738 0.105 0.000 1.166 31 Q HN 2.563 nan 8.270 nan 0.000 0.381 32 G N 2.572 111.372 108.800 0.000 0.000 2.234 32 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 32 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 32 G C -0.040 174.806 174.900 -0.089 0.000 0.987 32 G CA 0.308 45.387 45.100 -0.035 0.000 0.625 32 G HN 0.835 nan 8.290 nan 0.000 0.532 33 H N 2.433 121.390 119.070 -0.188 0.000 2.767 33 H HA 0.311 4.867 4.556 -0.000 0.000 0.316 33 H C -0.848 174.295 175.328 -0.308 0.000 1.059 33 H CA -0.670 55.212 56.048 -0.276 0.000 1.461 33 H CB 1.796 31.384 29.762 -0.290 0.000 1.475 33 H HN 0.160 nan 8.280 nan 0.000 0.531 34 P HA -0.094 nan 4.420 nan 0.000 0.225 34 P C 0.593 177.906 177.300 0.021 0.000 1.156 34 P CA 0.370 63.366 63.100 -0.173 0.000 0.787 34 P CB 0.162 31.679 31.700 -0.305 0.000 0.802 35 M N 1.415 120.936 119.600 -0.132 0.000 2.251 35 M HA 0.155 4.635 4.480 -0.000 0.000 0.346 35 M C -0.381 175.715 176.300 -0.341 0.000 1.499 35 M CA 0.281 55.422 55.300 -0.265 0.000 1.128 35 M CB -0.388 31.706 32.600 -0.843 0.000 1.809 35 M HN -0.289 nan 8.290 nan 0.000 0.464 36 K N 7.097 127.428 120.400 -0.115 0.000 2.579 36 K HA 0.331 4.651 4.320 -0.000 0.000 0.225 36 K C -2.217 174.430 176.600 0.079 0.000 0.992 36 K CA -1.507 54.776 56.287 -0.006 0.000 1.018 36 K CB 1.144 33.682 32.500 0.063 0.000 1.249 36 K HN 0.366 nan 8.250 nan 0.000 0.489 37 P HA -0.218 nan 4.420 nan 0.000 0.218 37 P C 0.937 178.399 177.300 0.270 0.000 1.146 37 P CA 1.156 64.414 63.100 0.265 0.000 0.813 37 P CB 0.141 32.026 31.700 0.309 0.000 0.778 38 H N 1.067 120.206 119.070 0.114 0.000 2.460 38 H HA -0.174 4.381 4.556 -0.000 0.000 0.297 38 H C 2.016 177.341 175.328 -0.004 0.000 1.103 38 H CA 1.714 57.791 56.048 0.047 0.000 1.292 38 H CB -0.307 29.455 29.762 0.000 0.000 1.376 38 H HN 0.075 nan 8.280 nan 0.000 0.531 39 R N 0.145 120.622 120.500 -0.039 0.000 2.159 39 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 39 R C 1.409 177.713 176.300 0.007 0.000 1.131 39 R CA 1.675 57.706 56.100 -0.116 0.000 0.982 39 R CB -0.359 29.894 30.300 -0.078 0.000 0.868 39 R HN 0.332 nan 8.270 nan 0.000 0.453 40 I N 1.342 122.021 120.570 0.182 0.000 2.353 40 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 40 I C 2.731 179.056 176.117 0.346 0.000 1.119 40 I CA 1.128 62.643 61.300 0.358 0.000 1.417 40 I CB -1.074 37.188 38.000 0.436 0.000 1.078 40 I HN 0.269 nan 8.210 nan 0.000 0.421 41 R N 1.094 121.741 120.500 0.244 0.000 2.075 41 R HA -0.113 4.226 4.340 -0.000 0.000 0.232 41 R C 2.349 178.666 176.300 0.028 0.000 1.126 41 R CA 1.264 57.509 56.100 0.242 0.000 0.963 41 R CB -0.090 30.346 30.300 0.226 0.000 0.858 41 R HN 0.190 nan 8.270 nan 0.000 0.435 42 M N -0.258 119.145 119.600 -0.328 0.000 2.117 42 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 42 M C 2.112 178.432 176.300 0.033 0.000 1.065 42 M CA 2.110 57.219 55.300 -0.317 0.000 1.114 42 M CB -0.251 32.005 32.600 -0.572 0.000 1.361 42 M HN 0.183 nan 8.290 nan 0.000 0.408 43 T N -1.112 113.484 114.554 0.071 0.000 2.652 43 T HA -0.241 4.108 4.350 -0.000 0.000 0.267 43 T C 1.670 176.486 174.700 0.193 0.000 1.039 43 T CA 2.020 64.212 62.100 0.153 0.000 1.153 43 T CB -0.563 68.449 68.868 0.240 0.000 0.863 43 T HN 0.456 nan 8.240 nan 0.000 0.428 44 H N 1.603 120.729 119.070 0.092 0.000 2.289 44 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 44 H C 2.366 177.673 175.328 -0.036 0.000 1.091 44 H CA 2.007 58.023 56.048 -0.053 0.000 1.274 44 H CB -0.443 28.953 29.762 -0.610 0.000 1.364 44 H HN 0.259 nan 8.280 nan 0.000 0.490 45 N N -0.172 118.550 118.700 0.037 0.000 2.166 45 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 45 N C 2.010 177.518 175.510 -0.003 0.000 1.019 45 N CA 1.186 54.249 53.050 0.022 0.000 0.856 45 N CB -0.136 38.478 38.487 0.211 0.000 0.993 45 N HN 0.358 nan 8.380 nan 0.000 0.426 46 L N 1.660 122.921 121.223 0.063 0.000 2.027 46 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 46 L C 2.313 179.253 176.870 0.117 0.000 1.074 46 L CA 1.356 56.230 54.840 0.057 0.000 0.745 46 L CB -0.836 41.264 42.059 0.068 0.000 0.898 46 L HN 0.293 nan 8.230 nan 0.000 0.433 47 L N -3.048 118.226 121.223 0.085 0.000 2.217 47 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 47 L C 2.204 179.099 176.870 0.043 0.000 1.107 47 L CA 1.433 56.329 54.840 0.093 0.000 0.783 47 L CB -1.262 40.814 42.059 0.029 0.000 0.919 47 L HN 0.150 nan 8.230 nan 0.000 0.442 48 L N 0.238 121.414 121.223 -0.079 0.000 2.046 48 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 48 L C 2.367 179.300 176.870 0.105 0.000 1.077 48 L CA 1.343 56.174 54.840 -0.016 0.000 0.747 48 L CB -0.720 41.195 42.059 -0.241 0.000 0.896 48 L HN 0.473 nan 8.230 nan 0.000 0.432 49 N N -1.004 117.704 118.700 0.014 0.000 2.457 49 N HA -0.139 4.600 4.740 -0.000 0.000 0.180 49 N C 1.504 176.987 175.510 -0.044 0.000 1.050 49 N CA 0.872 53.906 53.050 -0.028 0.000 0.906 49 N CB 0.093 38.511 38.487 -0.116 0.000 0.968 49 N HN 0.325 nan 8.380 nan 0.000 0.445 50 Y N 0.426 120.720 120.300 -0.011 0.000 2.583 50 Y HA 0.100 4.650 4.550 -0.000 0.000 0.293 50 Y C 1.765 177.634 175.900 -0.051 0.000 1.157 50 Y CA 0.486 58.571 58.100 -0.025 0.000 1.315 50 Y CB -0.075 38.365 38.460 -0.034 0.000 1.021 50 Y HN 0.119 nan 8.280 nan 0.000 0.536 51 G N -0.179 108.681 108.800 0.099 0.000 2.136 51 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 51 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 51 G C 0.960 175.635 174.900 -0.376 0.000 0.989 51 G CA 0.468 45.471 45.100 -0.161 0.000 0.682 51 G HN 0.422 nan 8.290 nan 0.000 0.522 52 L N -0.281 120.856 121.223 -0.143 0.000 2.376 52 L HA -0.015 4.325 4.340 -0.000 0.000 0.219 52 L C 2.676 179.416 176.870 -0.216 0.000 1.133 52 L CA 1.515 56.254 54.840 -0.169 0.000 0.816 52 L CB -0.592 41.408 42.059 -0.098 0.000 0.933 52 L HN 0.645 nan 8.230 nan 0.000 0.449 53 Y N -0.523 119.690 120.300 -0.145 0.000 2.483 53 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 53 Y C 2.351 178.190 175.900 -0.101 0.000 1.143 53 Y CA 0.445 58.455 58.100 -0.151 0.000 1.289 53 Y CB -0.820 37.555 38.460 -0.141 0.000 0.983 53 Y HN -0.036 nan 8.280 nan 0.000 0.556 54 R N 0.627 120.720 120.500 -0.678 0.000 2.189 54 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 54 R C 1.230 177.414 176.300 -0.193 0.000 1.092 54 R CA 1.457 57.308 56.100 -0.414 0.000 0.989 54 R CB -0.079 29.948 30.300 -0.455 0.000 0.876 54 R HN 0.315 nan 8.270 nan 0.000 0.457 55 K N -0.233 120.062 120.400 -0.176 0.000 2.358 55 K HA 0.184 4.503 4.320 -0.000 0.000 0.200 55 K C 0.274 176.828 176.600 -0.076 0.000 1.030 55 K CA 0.114 56.336 56.287 -0.108 0.000 1.097 55 K CB 0.790 33.228 32.500 -0.103 0.000 0.862 55 K HN 0.119 nan 8.250 nan 0.000 0.534 56 M N -1.473 118.080 119.600 -0.079 0.000 2.658 56 M HA 0.497 4.977 4.480 -0.000 0.000 0.295 56 M C -1.178 175.079 176.300 -0.072 0.000 1.248 56 M CA -0.952 54.313 55.300 -0.058 0.000 0.843 56 M CB 1.874 34.441 32.600 -0.055 0.000 1.749 56 M HN -0.335 nan 8.290 nan 0.000 0.464 57 E N 2.392 122.540 120.200 -0.087 0.000 2.194 57 E HA 0.470 4.820 4.350 -0.000 0.000 0.284 57 E C -1.041 175.377 176.600 -0.304 0.000 1.035 57 E CA -0.050 56.208 56.400 -0.236 0.000 0.836 57 E CB 1.249 30.806 29.700 -0.237 0.000 1.070 57 E HN 0.612 nan 8.360 nan 0.000 0.401 58 I N 4.048 124.420 120.570 -0.330 0.000 2.354 58 I HA 0.252 4.421 4.170 -0.000 0.000 0.292 58 I C -0.569 175.321 176.117 -0.379 0.000 0.989 58 I CA -0.707 60.509 61.300 -0.140 0.000 1.188 58 I CB 0.595 38.646 38.000 0.085 0.000 1.342 58 I HN 0.336 nan 8.210 nan 0.000 0.457 59 Y N 4.462 124.698 120.300 -0.107 0.000 2.562 59 Y HA 0.538 5.087 4.550 -0.000 0.000 0.343 59 Y C 0.164 176.082 175.900 0.030 0.000 1.025 59 Y CA -0.956 57.080 58.100 -0.106 0.000 1.082 59 Y CB 1.423 39.693 38.460 -0.316 0.000 1.264 59 Y HN 0.369 nan 8.280 nan 0.000 0.478 60 R N 3.113 123.780 120.500 0.278 0.000 2.357 60 R HA 0.336 4.675 4.340 -0.000 0.000 0.296 60 R C -2.437 174.042 176.300 0.298 0.000 1.052 60 R CA -1.687 54.542 56.100 0.217 0.000 0.988 60 R CB 0.527 30.910 30.300 0.138 0.000 1.025 60 R HN 0.379 nan 8.270 nan 0.000 0.469 61 P HA 0.005 nan 4.420 nan 0.000 0.272 61 P C -0.803 176.519 177.300 0.036 0.000 1.230 61 P CA -0.109 63.047 63.100 0.094 0.000 0.788 61 P CB 0.570 32.194 31.700 -0.128 0.000 0.949 62 H N 0.208 119.261 119.070 -0.028 0.000 2.544 62 H HA 0.305 4.861 4.556 -0.000 0.000 0.365 62 H C -0.347 174.933 175.328 -0.081 0.000 1.268 62 H CA -0.500 55.526 56.048 -0.037 0.000 1.400 62 H CB 0.406 30.144 29.762 -0.040 0.000 1.538 62 H HN 0.294 nan 8.280 nan 0.000 0.597 63 K N 0.984 121.331 120.400 -0.087 0.000 2.273 63 K HA 0.354 4.674 4.320 -0.000 0.000 0.287 63 K C -0.056 176.455 176.600 -0.148 0.000 1.089 63 K CA -0.400 55.773 56.287 -0.190 0.000 0.909 63 K CB 0.750 33.195 32.500 -0.092 0.000 1.123 63 K HN 0.661 nan 8.250 nan 0.000 0.473 64 A N 3.027 125.632 122.820 -0.358 0.000 2.584 64 A HA -0.010 4.310 4.320 -0.000 0.000 0.239 64 A C 0.767 178.329 177.584 -0.035 0.000 1.043 64 A CA 0.078 52.025 52.037 -0.150 0.000 0.756 64 A CB -0.218 18.650 19.000 -0.220 0.000 0.963 64 A HN 0.766 nan 8.150 nan 0.000 0.511 65 T N -0.148 114.452 114.554 0.075 0.000 2.849 65 T HA 0.518 4.867 4.350 -0.000 0.000 0.284 65 T C 1.404 176.164 174.700 0.100 0.000 1.004 65 T CA -0.097 62.055 62.100 0.087 0.000 1.021 65 T CB 1.199 70.114 68.868 0.079 0.000 1.013 65 T HN 1.291 nan 8.240 nan 0.000 0.527 66 A N 0.081 122.979 122.820 0.131 0.000 1.940 66 A HA -0.101 4.218 4.320 -0.000 0.000 0.219 66 A C 2.290 179.922 177.584 0.080 0.000 1.176 66 A CA 1.960 54.066 52.037 0.115 0.000 0.631 66 A CB -1.199 17.837 19.000 0.059 0.000 0.814 66 A HN 1.057 nan 8.150 nan 0.000 0.446 67 E N -0.079 120.160 120.200 0.065 0.000 2.085 67 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 67 E C 1.899 178.541 176.600 0.070 0.000 0.994 67 E CA 1.632 58.067 56.400 0.057 0.000 0.801 67 E CB -0.156 29.570 29.700 0.043 0.000 0.743 67 E HN 0.769 nan 8.360 nan 0.000 0.453 68 E N -0.083 120.162 120.200 0.075 0.000 2.047 68 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 68 E C 2.220 178.884 176.600 0.107 0.000 0.987 68 E CA 1.476 57.926 56.400 0.083 0.000 0.799 68 E CB -0.114 29.640 29.700 0.089 0.000 0.752 68 E HN 0.381 nan 8.360 nan 0.000 0.449 69 M N 0.570 120.237 119.600 0.113 0.000 2.213 69 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 69 M C 2.290 178.729 176.300 0.232 0.000 1.062 69 M CA 1.601 57.007 55.300 0.177 0.000 1.105 69 M CB -0.418 32.257 32.600 0.125 0.000 1.385 69 M HN 0.151 nan 8.290 nan 0.000 0.417 70 T N -2.530 112.116 114.554 0.154 0.000 3.148 70 T HA 0.072 4.421 4.350 -0.000 0.000 0.253 70 T C 1.465 176.232 174.700 0.111 0.000 1.134 70 T CA 0.147 62.326 62.100 0.132 0.000 1.051 70 T CB -0.136 68.783 68.868 0.085 0.000 0.959 70 T HN 0.150 nan 8.240 nan 0.000 0.525 71 K N 0.351 120.828 120.400 0.128 0.000 2.280 71 K HA -0.027 4.292 4.320 -0.000 0.000 0.202 71 K C 1.211 177.912 176.600 0.168 0.000 1.047 71 K CA 1.134 57.496 56.287 0.124 0.000 0.942 71 K CB -0.250 32.322 32.500 0.121 0.000 0.739 71 K HN 0.715 nan 8.250 nan 0.000 0.457 72 Y N -0.758 119.541 120.300 -0.002 0.000 2.784 72 Y HA 0.098 4.648 4.550 -0.000 0.000 0.267 72 Y C 0.716 176.531 175.900 -0.141 0.000 1.117 72 Y CA -0.307 57.721 58.100 -0.120 0.000 1.231 72 Y CB 0.594 38.906 38.460 -0.247 0.000 1.441 72 Y HN -0.028 nan 8.280 nan 0.000 0.469 73 H N 1.614 120.650 119.070 -0.056 0.000 2.615 73 H HA 0.179 4.735 4.556 -0.000 0.000 0.363 73 H C 0.381 175.686 175.328 -0.037 0.000 1.148 73 H CA 0.513 56.516 56.048 -0.074 0.000 1.401 73 H CB 1.310 31.177 29.762 0.176 0.000 1.461 73 H HN 0.265 nan 8.280 nan 0.000 0.588 74 S N 1.318 117.087 115.700 0.115 0.000 2.576 74 S HA -0.025 4.444 4.470 -0.000 0.000 0.276 74 S C 0.602 175.272 174.600 0.116 0.000 1.339 74 S CA -0.557 57.694 58.200 0.086 0.000 1.039 74 S CB 0.706 63.961 63.200 0.092 0.000 0.902 74 S HN 0.496 nan 8.310 nan 0.000 0.516 75 D N 2.069 122.513 120.400 0.072 0.000 2.133 75 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 75 D C 1.724 178.046 176.300 0.037 0.000 0.997 75 D CA 2.012 56.041 54.000 0.048 0.000 0.840 75 D CB -0.181 40.643 40.800 0.039 0.000 0.947 75 D HN 0.801 nan 8.370 nan 0.000 0.452 76 E N -0.415 119.834 120.200 0.083 0.000 2.077 76 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 76 E C 1.780 178.358 176.600 -0.037 0.000 0.989 76 E CA 0.699 57.168 56.400 0.115 0.000 0.800 76 E CB -0.393 29.457 29.700 0.251 0.000 0.746 76 E HN 0.399 nan 8.360 nan 0.000 0.452 77 Y N 1.240 121.377 120.300 -0.271 0.000 2.145 77 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 77 Y C 1.797 177.482 175.900 -0.358 0.000 1.145 77 Y CA 1.178 58.869 58.100 -0.682 0.000 1.148 77 Y CB -0.183 38.086 38.460 -0.319 0.000 0.981 77 Y HN -0.026 nan 8.280 nan 0.000 0.507 78 I N 0.855 121.236 120.570 -0.314 0.000 2.252 78 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 78 I C 2.430 178.344 176.117 -0.339 0.000 1.102 78 I CA 1.558 62.657 61.300 -0.334 0.000 1.385 78 I CB -1.378 36.559 38.000 -0.105 0.000 1.064 78 I HN 0.259 nan 8.210 nan 0.000 0.414 79 K N 0.720 120.985 120.400 -0.225 0.000 2.063 79 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 79 K C 2.402 178.854 176.600 -0.247 0.000 1.048 79 K CA 1.689 57.849 56.287 -0.211 0.000 0.928 79 K CB -0.404 32.053 32.500 -0.071 0.000 0.713 79 K HN 0.178 nan 8.250 nan 0.000 0.442 80 F N 1.580 121.322 119.950 -0.347 0.000 2.095 80 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 80 F C 1.751 177.284 175.800 -0.444 0.000 1.104 80 F CA 1.428 59.226 58.000 -0.338 0.000 1.232 80 F CB -0.169 38.594 39.000 -0.395 0.000 0.987 80 F HN -0.025 nan 8.300 nan 0.000 0.475 81 L N 0.171 120.985 121.223 -0.681 0.000 2.127 81 L HA -0.210 4.129 4.340 -0.000 0.000 0.211 81 L C 2.608 179.047 176.870 -0.719 0.000 1.089 81 L CA 1.337 55.760 54.840 -0.694 0.000 0.757 81 L CB -0.683 41.110 42.059 -0.444 0.000 0.899 81 L HN 0.156 nan 8.230 nan 0.000 0.434 82 R N -0.736 119.208 120.500 -0.926 0.000 2.276 82 R HA -0.041 4.298 4.340 -0.000 0.000 0.203 82 R C 1.780 177.652 176.300 -0.713 0.000 1.017 82 R CA 0.847 56.217 56.100 -1.217 0.000 1.010 82 R CB 0.237 29.793 30.300 -1.240 0.000 0.900 82 R HN 0.277 nan 8.270 nan 0.000 0.469 83 S N -0.097 115.208 115.700 -0.659 0.000 2.599 83 S HA 0.100 4.570 4.470 -0.000 0.000 0.236 83 S C 0.414 174.603 174.600 -0.686 0.000 1.077 83 S CA -0.509 57.357 58.200 -0.557 0.000 0.906 83 S CB 0.351 63.255 63.200 -0.494 0.000 0.804 83 S HN 0.130 nan 8.310 nan 0.000 0.497 84 I N 3.309 123.319 120.570 -0.932 0.000 2.618 84 I HA 0.160 4.329 4.170 -0.000 0.000 0.284 84 I C 0.001 175.814 176.117 -0.507 0.000 1.146 84 I CA 0.336 61.114 61.300 -0.871 0.000 1.425 84 I CB 0.168 37.494 38.000 -1.123 0.000 1.383 84 I HN 0.091 nan 8.210 nan 0.000 0.562 85 R N 6.246 126.551 120.500 -0.326 0.000 2.799 85 R HA 0.378 4.718 4.340 -0.000 0.000 0.270 85 R C -2.174 174.064 176.300 -0.104 0.000 1.010 85 R CA -1.506 54.475 56.100 -0.198 0.000 0.916 85 R CB 0.829 31.044 30.300 -0.141 0.000 1.228 85 R HN 0.244 nan 8.270 nan 0.000 0.469 86 P HA -0.207 nan 4.420 nan 0.000 0.216 86 P C 0.275 177.581 177.300 0.011 0.000 1.150 86 P CA 1.628 64.724 63.100 -0.007 0.000 0.843 86 P CB 0.073 31.781 31.700 0.013 0.000 0.787 87 D N -1.492 118.910 120.400 0.004 0.000 2.348 87 D HA -0.119 4.521 4.640 -0.000 0.000 0.216 87 D C 0.911 177.234 176.300 0.039 0.000 0.970 87 D CA 0.585 54.596 54.000 0.019 0.000 0.889 87 D CB -0.939 39.868 40.800 0.011 0.000 0.912 87 D HN 0.222 nan 8.370 nan 0.000 0.524 88 N N -0.266 118.464 118.700 0.051 0.000 2.238 88 N HA 0.096 4.836 4.740 -0.000 0.000 0.235 88 N C 0.896 176.527 175.510 0.201 0.000 1.209 88 N CA -0.259 52.866 53.050 0.126 0.000 0.879 88 N CB -0.312 38.279 38.487 0.174 0.000 1.136 88 N HN 0.140 nan 8.380 nan 0.000 0.517 89 M N 0.263 119.941 119.600 0.130 0.000 2.202 89 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 89 M C 1.847 178.253 176.300 0.177 0.000 1.063 89 M CA 1.903 57.299 55.300 0.160 0.000 1.097 89 M CB -0.269 32.395 32.600 0.106 0.000 1.382 89 M HN 0.414 nan 8.290 nan 0.000 0.413 90 S N 0.253 116.027 115.700 0.123 0.000 2.383 90 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 90 S C 1.512 176.159 174.600 0.079 0.000 1.026 90 S CA 1.257 59.511 58.200 0.089 0.000 0.981 90 S CB -0.565 62.670 63.200 0.058 0.000 0.818 90 S HN 0.551 nan 8.310 nan 0.000 0.472 91 E N -0.007 120.244 120.200 0.085 0.000 2.268 91 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 91 E C 0.489 177.022 176.600 -0.112 0.000 0.995 91 E CA 1.015 57.404 56.400 -0.020 0.000 0.836 91 E CB -0.210 29.469 29.700 -0.034 0.000 0.763 91 E HN 0.747 nan 8.360 nan 0.000 0.491 92 Y N -0.082 120.277 120.300 0.098 0.000 2.681 92 Y HA 0.091 4.641 4.550 -0.000 0.000 0.267 92 Y C 1.941 177.932 175.900 0.152 0.000 1.166 92 Y CA -0.131 58.068 58.100 0.165 0.000 1.209 92 Y CB 0.492 39.113 38.460 0.268 0.000 1.161 92 Y HN 0.045 nan 8.280 nan 0.000 0.534 93 S N -0.457 115.351 115.700 0.181 0.000 2.382 93 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 93 S C 1.930 176.573 174.600 0.072 0.000 1.027 93 S CA 1.042 59.319 58.200 0.128 0.000 0.991 93 S CB 0.008 63.255 63.200 0.079 0.000 0.823 93 S HN 0.168 nan 8.310 nan 0.000 0.469 94 K N 1.375 121.792 120.400 0.029 0.000 2.167 94 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 94 K C 2.409 178.941 176.600 -0.113 0.000 1.052 94 K CA 1.042 57.306 56.287 -0.040 0.000 0.956 94 K CB -0.494 31.972 32.500 -0.055 0.000 0.735 94 K HN 0.625 nan 8.250 nan 0.000 0.451 95 Q N 0.003 119.767 119.800 -0.060 0.000 2.123 95 Q HA 0.038 4.378 4.340 -0.000 0.000 0.199 95 Q C 2.174 177.943 176.000 -0.386 0.000 0.966 95 Q CA 1.044 56.700 55.803 -0.245 0.000 0.845 95 Q CB -0.109 28.691 28.738 0.103 0.000 0.907 95 Q HN 0.253 nan 8.270 nan 0.000 0.439 96 M N 0.377 119.959 119.600 -0.029 0.000 2.108 96 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 96 M C 2.352 178.656 176.300 0.006 0.000 1.066 96 M CA 1.576 56.944 55.300 0.112 0.000 1.107 96 M CB -0.230 32.527 32.600 0.261 0.000 1.356 96 M HN 0.241 nan 8.290 nan 0.000 0.406 97 Q N 0.338 120.107 119.800 -0.051 0.000 2.046 97 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 97 Q C 2.199 178.096 176.000 -0.172 0.000 0.975 97 Q CA 1.431 57.189 55.803 -0.075 0.000 0.836 97 Q CB -0.075 28.621 28.738 -0.070 0.000 0.896 97 Q HN 0.389 nan 8.270 nan 0.000 0.428 98 R N -0.597 119.692 120.500 -0.352 0.000 2.081 98 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 98 R C 1.294 177.280 176.300 -0.525 0.000 1.131 98 R CA 1.432 57.205 56.100 -0.546 0.000 0.960 98 R CB -0.066 29.679 30.300 -0.924 0.000 0.856 98 R HN 0.265 nan 8.270 nan 0.000 0.436 99 F N 0.359 120.186 119.950 -0.206 0.000 2.765 99 F HA 0.186 4.713 4.527 -0.000 0.000 0.302 99 F C 0.600 176.394 175.800 -0.010 0.000 1.111 99 F CA -0.170 57.746 58.000 -0.141 0.000 1.359 99 F CB -0.475 38.428 39.000 -0.161 0.000 1.097 99 F HN 0.098 nan 8.300 nan 0.000 0.577 100 N N 0.680 119.442 118.700 0.104 0.000 2.740 100 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 100 N C -1.301 174.336 175.510 0.211 0.000 1.062 100 N CA 0.283 53.403 53.050 0.116 0.000 0.704 100 N CB -1.221 37.310 38.487 0.072 0.000 0.968 100 N HN -0.001 nan 8.380 nan 0.000 0.547 101 V N -0.514 119.572 119.914 0.287 0.000 2.459 101 V HA 0.809 4.928 4.120 -0.000 0.000 0.295 101 V C 1.366 177.636 176.094 0.294 0.000 1.029 101 V CA 0.476 63.007 62.300 0.384 0.000 0.874 101 V CB 1.433 33.632 31.823 0.627 0.000 0.985 101 V HN 0.568 nan 8.190 nan 0.000 0.438 102 G N 3.986 112.942 108.800 0.259 0.000 2.551 102 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.186 102 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.186 102 G C 0.243 175.246 174.900 0.171 0.000 1.002 102 G CA 0.338 45.557 45.100 0.199 0.000 0.723 102 G HN 0.616 nan 8.290 nan 0.000 0.481 103 E N 0.126 120.432 120.200 0.177 0.000 3.332 103 E HA 0.287 4.637 4.350 -0.000 0.000 0.315 103 E C 1.146 177.882 176.600 0.227 0.000 0.803 103 E CA 0.089 56.585 56.400 0.160 0.000 1.261 103 E CB 0.200 29.969 29.700 0.115 0.000 2.649 103 E HN -0.023 nan 8.360 nan 0.000 0.554 104 D N -0.119 120.419 120.400 0.231 0.000 2.218 104 D HA -0.060 4.580 4.640 -0.000 0.000 0.204 104 D C -0.083 176.557 176.300 0.566 0.000 0.976 104 D CA 0.726 54.956 54.000 0.384 0.000 0.853 104 D CB 0.015 40.975 40.800 0.267 0.000 0.939 104 D HN 0.098 nan 8.370 nan 0.000 0.481 105 C N 3.301 122.812 119.300 0.352 0.000 2.376 105 C HA 0.345 4.804 4.460 -0.000 0.000 0.341 105 C C -2.074 173.146 174.990 0.383 0.000 1.106 105 C CA -1.708 57.481 59.018 0.285 0.000 1.631 105 C CB -0.062 27.670 27.740 -0.013 0.000 1.649 105 C HN 0.172 nan 8.230 nan 0.000 0.456 106 P HA 0.177 nan 4.420 nan 0.000 0.274 106 P C -0.365 177.055 177.300 0.200 0.000 1.246 106 P CA 0.202 63.459 63.100 0.261 0.000 0.795 106 P CB 0.968 32.786 31.700 0.197 0.000 1.006 107 V N 2.473 122.444 119.914 0.094 0.000 2.461 107 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 107 V C 0.272 176.348 176.094 -0.029 0.000 1.047 107 V CA 0.322 62.569 62.300 -0.088 0.000 0.955 107 V CB -0.735 31.058 31.823 -0.051 0.000 0.988 107 V HN 0.522 nan 8.190 nan 0.000 0.471 108 F N 1.272 121.103 119.950 -0.198 0.000 2.626 108 F HA 0.628 5.154 4.527 -0.000 0.000 0.311 108 F C -0.461 175.266 175.800 -0.122 0.000 1.088 108 F CA -1.570 56.332 58.000 -0.163 0.000 0.949 108 F CB 0.937 39.799 39.000 -0.230 0.000 1.322 108 F HN 0.292 nan 8.300 nan 0.000 0.461 109 D N 1.579 122.082 120.400 0.171 0.000 2.531 109 D HA 0.347 4.987 4.640 -0.000 0.000 0.239 109 D C 1.188 177.622 176.300 0.222 0.000 1.144 109 D CA 2.102 56.171 54.000 0.116 0.000 0.869 109 D CB 0.854 41.723 40.800 0.116 0.000 1.160 109 D HN 1.149 nan 8.370 nan 0.000 0.484 110 G N 1.973 110.843 108.800 0.117 0.000 2.143 110 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.248 110 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.248 110 G C 1.001 175.926 174.900 0.041 0.000 0.991 110 G CA 0.478 45.725 45.100 0.245 0.000 0.689 110 G HN 0.512 nan 8.290 nan 0.000 0.522 111 L N -0.222 120.775 121.223 -0.376 0.000 2.013 111 L HA 0.067 4.407 4.340 -0.000 0.000 0.212 111 L C 2.310 178.899 176.870 -0.469 0.000 1.073 111 L CA 3.194 57.506 54.840 -0.879 0.000 0.753 111 L CB -0.754 40.524 42.059 -1.302 0.000 0.890 111 L HN 0.372 nan 8.230 nan 0.000 0.432 112 F N 0.412 120.087 119.950 -0.459 0.000 2.146 112 F HA -0.156 4.370 4.527 -0.000 0.000 0.298 112 F C 2.498 178.126 175.800 -0.286 0.000 1.096 112 F CA 1.955 59.728 58.000 -0.379 0.000 1.275 112 F CB -0.319 38.475 39.000 -0.342 0.000 1.008 112 F HN 0.310 nan 8.300 nan 0.000 0.480 113 E N -0.607 119.440 120.200 -0.255 0.000 2.077 113 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 113 E C 2.262 178.562 176.600 -0.500 0.000 0.989 113 E CA 1.327 57.551 56.400 -0.292 0.000 0.800 113 E CB -0.469 29.221 29.700 -0.017 0.000 0.746 113 E HN 0.504 nan 8.360 nan 0.000 0.452 114 F N 0.716 120.153 119.950 -0.855 0.000 2.095 114 F HA -0.323 4.204 4.527 -0.000 0.000 0.298 114 F C 2.298 177.812 175.800 -0.476 0.000 1.104 114 F CA 1.646 59.118 58.000 -0.879 0.000 1.232 114 F CB -0.314 38.292 39.000 -0.657 0.000 0.987 114 F HN 0.133 nan 8.300 nan 0.000 0.475 115 C N 0.639 119.627 119.300 -0.520 0.000 2.413 115 C HA -0.211 4.249 4.460 -0.000 0.000 0.276 115 C C 2.695 177.330 174.990 -0.591 0.000 1.236 115 C CA 1.365 60.064 59.018 -0.531 0.000 1.735 115 C CB -1.394 26.056 27.740 -0.483 0.000 2.031 115 C HN 0.575 nan 8.230 nan 0.000 0.474 116 Q N 0.287 119.661 119.800 -0.709 0.000 2.096 116 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 116 Q C 2.207 177.920 176.000 -0.477 0.000 0.982 116 Q CA 1.377 56.825 55.803 -0.592 0.000 0.850 116 Q CB -0.256 28.138 28.738 -0.573 0.000 0.901 116 Q HN 0.680 nan 8.270 nan 0.000 0.422 117 L N -0.058 120.891 121.223 -0.457 0.000 2.072 117 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 117 L C 2.461 179.097 176.870 -0.390 0.000 1.079 117 L CA 0.873 55.486 54.840 -0.377 0.000 0.752 117 L CB -0.315 41.571 42.059 -0.288 0.000 0.906 117 L HN 0.125 nan 8.230 nan 0.000 0.436 118 S N -0.813 114.592 115.700 -0.491 0.000 2.368 118 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 118 S C 1.995 176.400 174.600 -0.325 0.000 1.030 118 S CA 1.830 59.777 58.200 -0.422 0.000 0.999 118 S CB -0.331 62.522 63.200 -0.578 0.000 0.844 118 S HN 0.423 nan 8.310 nan 0.000 0.459 119 T N 1.551 115.902 114.554 -0.338 0.000 2.812 119 T HA 0.029 4.378 4.350 -0.000 0.000 0.264 119 T C 2.149 176.654 174.700 -0.325 0.000 1.042 119 T CA 1.124 63.065 62.100 -0.265 0.000 1.140 119 T CB -0.841 67.891 68.868 -0.226 0.000 0.870 119 T HN 0.525 nan 8.240 nan 0.000 0.445 120 G N 1.303 109.824 108.800 -0.464 0.000 2.513 120 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 120 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 120 G C 1.729 176.306 174.900 -0.539 0.000 1.160 120 G CA 1.133 45.801 45.100 -0.719 0.000 0.767 120 G HN 0.566 nan 8.290 nan 0.000 0.571 121 G N 0.312 108.832 108.800 -0.466 0.000 2.422 121 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 121 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 121 G C 2.144 176.658 174.900 -0.644 0.000 1.146 121 G CA 1.516 46.248 45.100 -0.613 0.000 0.769 121 G HN 0.462 nan 8.290 nan 0.000 0.547 122 S N -0.119 115.355 115.700 -0.376 0.000 2.357 122 S HA -0.056 4.413 4.470 -0.000 0.000 0.221 122 S C 2.483 176.949 174.600 -0.223 0.000 1.031 122 S CA 0.988 59.032 58.200 -0.260 0.000 0.982 122 S CB -0.270 62.834 63.200 -0.160 0.000 0.853 122 S HN 0.159 nan 8.310 nan 0.000 0.458 123 V N 2.234 122.038 119.914 -0.183 0.000 2.343 123 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 123 V C 2.661 178.682 176.094 -0.122 0.000 1.051 123 V CA 1.661 63.903 62.300 -0.096 0.000 1.036 123 V CB -1.178 30.636 31.823 -0.016 0.000 0.654 123 V HN 0.530 nan 8.190 nan 0.000 0.451 124 A N 0.446 123.144 122.820 -0.202 0.000 1.933 124 A HA -0.092 4.227 4.320 -0.000 0.000 0.218 124 A C 2.407 179.824 177.584 -0.279 0.000 1.175 124 A CA 1.928 53.816 52.037 -0.249 0.000 0.628 124 A CB -1.150 17.633 19.000 -0.362 0.000 0.814 124 A HN 0.527 nan 8.150 nan 0.000 0.444 125 G N -0.504 108.045 108.800 -0.419 0.000 2.418 125 G HA2 0.013 3.972 3.960 -0.000 0.000 0.217 125 G HA3 0.013 3.972 3.960 -0.000 0.000 0.217 125 G C 1.758 176.617 174.900 -0.068 0.000 1.158 125 G CA 1.400 46.429 45.100 -0.117 0.000 0.771 125 G HN 0.796 nan 8.290 nan 0.000 0.545 126 A N 0.115 122.877 122.820 -0.096 0.000 1.940 126 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 126 A C 2.606 180.148 177.584 -0.070 0.000 1.176 126 A CA 1.887 53.886 52.037 -0.062 0.000 0.631 126 A CB -0.625 18.347 19.000 -0.047 0.000 0.814 126 A HN 0.266 nan 8.150 nan 0.000 0.446 127 V N 0.320 120.183 119.914 -0.085 0.000 2.343 127 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 127 V C 2.525 178.551 176.094 -0.114 0.000 1.051 127 V CA 2.117 64.353 62.300 -0.107 0.000 1.036 127 V CB -0.577 31.188 31.823 -0.095 0.000 0.654 127 V HN 0.457 nan 8.190 nan 0.000 0.451 128 K N -0.162 120.194 120.400 -0.074 0.000 2.063 128 K HA -0.147 4.172 4.320 -0.000 0.000 0.208 128 K C 2.094 178.668 176.600 -0.043 0.000 1.048 128 K CA 1.459 57.717 56.287 -0.049 0.000 0.928 128 K CB -0.516 31.985 32.500 0.003 0.000 0.713 128 K HN 0.396 nan 8.250 nan 0.000 0.442 129 L N 1.093 122.294 121.223 -0.036 0.000 2.027 129 L HA -0.207 4.132 4.340 -0.000 0.000 0.206 129 L C 2.118 178.962 176.870 -0.043 0.000 1.074 129 L CA 1.055 55.884 54.840 -0.019 0.000 0.745 129 L CB -0.574 41.477 42.059 -0.012 0.000 0.898 129 L HN 0.139 nan 8.230 nan 0.000 0.433 130 N N 0.528 119.147 118.700 -0.135 0.000 2.094 130 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 130 N C 1.782 177.028 175.510 -0.441 0.000 1.023 130 N CA 1.348 54.157 53.050 -0.402 0.000 0.857 130 N CB -0.257 37.796 38.487 -0.722 0.000 1.013 130 N HN 0.295 nan 8.380 nan 0.000 0.426 131 R N 0.868 121.200 120.500 -0.280 0.000 2.323 131 R HA 0.084 4.423 4.340 -0.000 0.000 0.198 131 R C 0.011 176.266 176.300 -0.076 0.000 0.988 131 R CA 0.078 56.081 56.100 -0.162 0.000 1.041 131 R CB -0.061 30.172 30.300 -0.112 0.000 0.926 131 R HN 0.339 nan 8.270 nan 0.000 0.476 132 Q N -0.442 119.322 119.800 -0.060 0.000 2.481 132 Q HA -0.287 4.053 4.340 -0.000 0.000 0.272 132 Q C 0.323 176.323 176.000 0.001 0.000 1.157 132 Q CA 0.660 56.456 55.803 -0.012 0.000 0.935 132 Q CB -1.320 27.419 28.738 0.003 0.000 1.338 132 Q HN 0.491 nan 8.270 nan 0.000 0.494 133 Q N -0.743 119.055 119.800 -0.003 0.000 2.425 133 Q HA 0.100 4.440 4.340 -0.000 0.000 0.204 133 Q C 0.495 176.517 176.000 0.037 0.000 0.933 133 Q CA 0.892 56.705 55.803 0.016 0.000 0.939 133 Q CB 0.923 29.666 28.738 0.009 0.000 1.044 133 Q HN 0.250 nan 8.270 nan 0.000 0.513 134 T N -1.247 113.326 114.554 0.033 0.000 2.853 134 T HA 0.124 4.474 4.350 -0.000 0.000 0.311 134 T C -0.833 173.888 174.700 0.035 0.000 1.307 134 T CA -0.717 61.410 62.100 0.045 0.000 1.019 134 T CB 1.492 70.400 68.868 0.067 0.000 1.264 134 T HN -0.107 nan 8.240 nan 0.000 0.497 135 D N 1.332 121.753 120.400 0.036 0.000 2.262 135 D HA 0.216 4.856 4.640 -0.000 0.000 0.212 135 D C 0.330 176.648 176.300 0.029 0.000 0.964 135 D CA 0.784 54.803 54.000 0.032 0.000 0.875 135 D CB 0.457 41.276 40.800 0.030 0.000 0.996 135 D HN 0.416 nan 8.370 nan 0.000 0.497 136 M N 0.275 119.895 119.600 0.032 0.000 2.457 136 M HA 0.539 5.019 4.480 -0.000 0.000 0.300 136 M C -1.376 174.946 176.300 0.037 0.000 1.141 136 M CA -0.572 54.743 55.300 0.025 0.000 0.901 136 M CB 3.402 36.015 32.600 0.022 0.000 1.687 136 M HN -0.216 nan 8.290 nan 0.000 0.449 137 A N 2.467 125.301 122.820 0.024 0.000 2.371 137 A HA 0.886 5.206 4.320 -0.000 0.000 0.311 137 A C -1.290 176.268 177.584 -0.043 0.000 1.068 137 A CA -0.671 51.401 52.037 0.059 0.000 0.744 137 A CB 1.411 20.474 19.000 0.105 0.000 1.239 137 A HN 0.588 nan 8.150 nan 0.000 0.435 138 V N 2.325 122.191 119.914 -0.078 0.000 2.531 138 V HA 0.523 4.643 4.120 -0.000 0.000 0.301 138 V C -0.645 175.177 176.094 -0.454 0.000 1.034 138 V CA -0.648 61.410 62.300 -0.403 0.000 0.865 138 V CB 1.849 33.393 31.823 -0.464 0.000 0.995 138 V HN 0.903 nan 8.190 nan 0.000 0.424 139 N N 2.905 121.256 118.700 -0.582 0.000 2.609 139 N HA 0.306 5.046 4.740 -0.000 0.000 0.268 139 N C 0.055 175.295 175.510 -0.450 0.000 1.106 139 N CA -0.588 52.200 53.050 -0.437 0.000 0.823 139 N CB 0.788 39.115 38.487 -0.266 0.000 1.263 139 N HN 0.647 nan 8.380 nan 0.000 0.533 140 W N 2.255 123.372 121.300 -0.306 0.000 2.525 140 W HA 0.063 4.723 4.660 -0.000 0.000 0.259 140 W C 1.870 178.189 176.519 -0.335 0.000 1.253 140 W CA 0.277 57.328 57.345 -0.490 0.000 1.262 140 W CB 0.298 29.540 29.460 -0.362 0.000 1.122 140 W HN 0.646 nan 8.180 nan 0.000 0.607 141 A N 0.522 123.361 122.820 0.032 0.000 2.167 141 A HA 0.229 4.549 4.320 -0.000 0.000 0.214 141 A C 1.531 179.094 177.584 -0.035 0.000 1.151 141 A CA 1.132 53.191 52.037 0.037 0.000 0.735 141 A CB -0.864 18.123 19.000 -0.022 0.000 0.802 141 A HN 0.156 nan 8.150 nan 0.000 0.467 142 G N -2.801 105.951 108.800 -0.081 0.000 2.543 142 G HA2 0.469 4.429 3.960 -0.000 0.000 0.267 142 G HA3 0.469 4.429 3.960 -0.000 0.000 0.267 142 G C 0.910 175.808 174.900 -0.002 0.000 1.406 142 G CA -0.182 44.877 45.100 -0.068 0.000 1.048 142 G HN 1.423 nan 8.290 nan 0.000 0.548 143 G N -2.141 106.672 108.800 0.023 0.000 2.140 143 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.211 143 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.211 143 G C 0.170 175.110 174.900 0.067 0.000 1.013 143 G CA 0.099 45.234 45.100 0.058 0.000 0.705 143 G HN 0.672 nan 8.290 nan 0.000 0.508 144 L N 1.864 123.159 121.223 0.119 0.000 2.391 144 L HA 0.295 4.635 4.340 -0.000 0.000 0.249 144 L C 1.829 178.841 176.870 0.237 0.000 1.308 144 L CA 0.529 55.489 54.840 0.199 0.000 1.209 144 L CB -0.830 41.361 42.059 0.220 0.000 1.401 144 L HN 0.589 nan 8.230 nan 0.000 0.416 145 H N -2.440 116.642 119.070 0.021 0.000 2.559 145 H HA 0.019 4.575 4.556 -0.000 0.000 0.273 145 H C 0.999 176.295 175.328 -0.054 0.000 1.000 145 H CA 0.315 56.340 56.048 -0.037 0.000 1.195 145 H CB 0.208 29.971 29.762 0.003 0.000 1.368 145 H HN 0.495 nan 8.280 nan 0.000 0.592 146 H N 1.039 120.252 119.070 0.238 0.000 2.562 146 H HA 0.355 4.911 4.556 -0.000 0.000 0.267 146 H C 1.093 176.485 175.328 0.107 0.000 0.959 146 H CA 0.401 56.498 56.048 0.081 0.000 1.204 146 H CB 0.064 29.913 29.762 0.146 0.000 1.430 146 H HN 0.475 nan 8.280 nan 0.000 0.545 147 A N 2.299 125.288 122.820 0.282 0.000 2.511 147 A HA 0.217 4.536 4.320 -0.000 0.000 0.242 147 A C 0.454 178.206 177.584 0.281 0.000 1.069 147 A CA 0.026 52.238 52.037 0.291 0.000 0.763 147 A CB 0.481 19.703 19.000 0.370 0.000 1.001 147 A HN 0.040 nan 8.150 nan 0.000 0.498 148 K N 1.197 121.737 120.400 0.234 0.000 2.211 148 K HA 0.290 4.610 4.320 -0.000 0.000 0.237 148 K C 1.000 177.682 176.600 0.138 0.000 1.002 148 K CA -0.836 55.540 56.287 0.149 0.000 0.885 148 K CB 1.153 33.662 32.500 0.015 0.000 1.136 148 K HN 0.746 nan 8.250 nan 0.000 0.448 149 K N 0.544 120.890 120.400 -0.089 0.000 2.059 149 K HA -0.121 4.198 4.320 -0.000 0.000 0.212 149 K C 0.445 176.981 176.600 -0.107 0.000 1.050 149 K CA 1.884 57.915 56.287 -0.427 0.000 0.927 149 K CB 0.048 32.201 32.500 -0.578 0.000 0.714 149 K HN 0.398 nan 8.250 nan 0.000 0.447 150 S N 0.438 116.027 115.700 -0.185 0.000 2.843 150 S HA 0.096 4.566 4.470 -0.000 0.000 0.249 150 S C -1.350 172.942 174.600 -0.512 0.000 1.047 150 S CA -0.641 57.402 58.200 -0.262 0.000 1.042 150 S CB 0.531 63.732 63.200 0.002 0.000 0.936 150 S HN 0.472 nan 8.310 nan 0.000 0.531 151 E N -0.080 119.708 120.200 -0.687 0.000 2.380 151 E HA 0.679 5.029 4.350 -0.000 0.000 0.281 151 E C -1.020 175.454 176.600 -0.210 0.000 0.999 151 E CA -1.182 54.941 56.400 -0.462 0.000 0.800 151 E CB 1.033 30.655 29.700 -0.128 0.000 1.228 151 E HN 0.044 nan 8.360 nan 0.000 0.436 152 A N 1.505 124.360 122.820 0.059 0.000 2.386 152 A HA 0.593 4.912 4.320 -0.000 0.000 0.248 152 A C -0.079 177.550 177.584 0.075 0.000 1.082 152 A CA 0.235 52.360 52.037 0.146 0.000 0.789 152 A CB 0.993 20.092 19.000 0.165 0.000 1.025 152 A HN 0.565 nan 8.150 nan 0.000 0.490 153 S N -0.246 115.497 115.700 0.072 0.000 2.548 153 S HA 0.517 4.987 4.470 -0.000 0.000 0.278 153 S C 0.106 174.754 174.600 0.079 0.000 1.150 153 S CA 0.691 58.947 58.200 0.093 0.000 0.907 153 S CB 0.688 63.958 63.200 0.116 0.000 1.108 153 S HN 2.695 nan 8.310 nan 0.000 0.459 154 G N 3.134 111.869 108.800 -0.108 0.000 2.273 154 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.280 154 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.280 154 G C 0.413 175.109 174.900 -0.340 0.000 1.047 154 G CA 0.523 45.256 45.100 -0.611 0.000 0.869 154 G HN 1.607 nan 8.290 nan 0.000 0.502 155 F N -4.259 115.726 119.950 0.058 0.000 2.544 155 F HA -0.238 4.289 4.527 -0.000 0.000 0.389 155 F C 1.331 177.227 175.800 0.161 0.000 0.588 155 F CA -0.421 57.704 58.000 0.208 0.000 1.461 155 F CB -2.225 36.950 39.000 0.291 0.000 1.995 155 F HN 0.564 nan 8.300 nan 0.000 0.282 156 C N 0.619 120.041 119.300 0.203 0.000 2.319 156 C HA 0.621 5.080 4.460 -0.000 0.000 0.335 156 C C 1.542 176.527 174.990 -0.008 0.000 1.274 156 C CA -0.250 58.896 59.018 0.214 0.000 1.806 156 C CB 0.457 28.388 27.740 0.318 0.000 2.329 156 C HN 0.351 nan 8.230 nan 0.000 0.524 157 Y N 1.181 121.680 120.300 0.331 0.000 2.594 157 Y HA 0.306 4.856 4.550 -0.000 0.000 0.283 157 Y C 0.783 176.806 175.900 0.205 0.000 1.140 157 Y CA 0.175 58.445 58.100 0.283 0.000 1.261 157 Y CB -0.053 38.503 38.460 0.161 0.000 1.358 157 Y HN 0.366 nan 8.280 nan 0.000 0.513 158 V N 1.615 121.694 119.914 0.275 0.000 2.487 158 V HA 0.227 4.347 4.120 -0.000 0.000 0.298 158 V C -0.561 175.700 176.094 0.278 0.000 1.028 158 V CA -1.198 61.162 62.300 0.100 0.000 0.860 158 V CB 1.613 33.399 31.823 -0.062 0.000 0.991 158 V HN 0.225 nan 8.190 nan 0.000 0.427 159 N N 4.162 123.192 118.700 0.550 0.000 2.807 159 N HA 0.019 4.758 4.740 -0.000 0.000 0.259 159 N C 1.135 176.754 175.510 0.183 0.000 1.149 159 N CA -0.080 53.162 53.050 0.321 0.000 1.042 159 N CB 0.622 39.255 38.487 0.244 0.000 1.367 159 N HN 0.845 nan 8.380 nan 0.000 0.516 160 D N 2.468 122.930 120.400 0.103 0.000 2.221 160 D HA -0.201 4.439 4.640 -0.000 0.000 0.204 160 D C 1.608 177.911 176.300 0.005 0.000 0.982 160 D CA 0.818 54.831 54.000 0.022 0.000 0.857 160 D CB 0.182 40.958 40.800 -0.040 0.000 0.934 160 D HN 0.503 nan 8.370 nan 0.000 0.475 161 I N 0.593 121.169 120.570 0.011 0.000 2.233 161 I HA -0.216 3.953 4.170 -0.000 0.000 0.243 161 I C 2.732 178.826 176.117 -0.038 0.000 1.093 161 I CA 0.541 61.830 61.300 -0.017 0.000 1.380 161 I CB -0.261 37.712 38.000 -0.045 0.000 1.067 161 I HN -0.106 nan 8.210 nan 0.000 0.413 162 V N 1.444 121.303 119.914 -0.092 0.000 2.332 162 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 162 V C 2.439 178.515 176.094 -0.030 0.000 1.055 162 V CA 1.798 64.012 62.300 -0.142 0.000 1.038 162 V CB -0.563 30.836 31.823 -0.706 0.000 0.651 162 V HN 0.365 nan 8.190 nan 0.000 0.450 163 L N -0.006 121.205 121.223 -0.019 0.000 2.093 163 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 163 L C 2.721 179.611 176.870 0.035 0.000 1.085 163 L CA 1.488 56.353 54.840 0.040 0.000 0.755 163 L CB -0.827 41.274 42.059 0.070 0.000 0.904 163 L HN 0.344 nan 8.230 nan 0.000 0.435 164 A N 0.377 123.202 122.820 0.009 0.000 1.902 164 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 164 A C 2.240 179.827 177.584 0.005 0.000 1.181 164 A CA 1.463 53.495 52.037 -0.008 0.000 0.623 164 A CB -0.626 18.356 19.000 -0.029 0.000 0.818 164 A HN 0.339 nan 8.150 nan 0.000 0.443 165 I N -0.323 120.254 120.570 0.011 0.000 2.179 165 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 165 I C 2.370 178.486 176.117 -0.001 0.000 1.088 165 I CA 1.154 62.429 61.300 -0.040 0.000 1.357 165 I CB -0.399 37.501 38.000 -0.167 0.000 1.051 165 I HN 0.292 nan 8.210 nan 0.000 0.409 166 L N 0.403 121.687 121.223 0.101 0.000 2.043 166 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 166 L C 2.623 179.547 176.870 0.090 0.000 1.075 166 L CA 1.457 56.368 54.840 0.119 0.000 0.752 166 L CB -0.587 41.556 42.059 0.140 0.000 0.891 166 L HN 0.273 nan 8.230 nan 0.000 0.432 167 E N 0.791 121.035 120.200 0.074 0.000 2.051 167 E HA -0.201 4.148 4.350 -0.000 0.000 0.192 167 E C 2.172 178.838 176.600 0.110 0.000 0.991 167 E CA 1.397 57.844 56.400 0.078 0.000 0.799 167 E CB -0.320 29.403 29.700 0.039 0.000 0.748 167 E HN 0.369 nan 8.360 nan 0.000 0.449 168 L N 0.083 121.358 121.223 0.087 0.000 2.079 168 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 168 L C 2.511 179.518 176.870 0.228 0.000 1.081 168 L CA 0.985 55.920 54.840 0.158 0.000 0.752 168 L CB -0.442 41.641 42.059 0.040 0.000 0.896 168 L HN 0.226 nan 8.230 nan 0.000 0.433 169 L N -0.424 120.870 121.223 0.118 0.000 2.353 169 L HA -0.201 4.139 4.340 -0.000 0.000 0.220 169 L C 2.459 179.389 176.870 0.101 0.000 1.133 169 L CA 0.926 55.821 54.840 0.093 0.000 0.798 169 L CB -0.434 41.645 42.059 0.034 0.000 0.922 169 L HN 0.245 nan 8.230 nan 0.000 0.445 170 K N -0.692 119.797 120.400 0.148 0.000 2.097 170 K HA -0.172 4.147 4.320 -0.000 0.000 0.206 170 K C 1.431 178.039 176.600 0.013 0.000 1.049 170 K CA 1.600 57.955 56.287 0.113 0.000 0.933 170 K CB -0.053 32.588 32.500 0.235 0.000 0.717 170 K HN 0.327 nan 8.250 nan 0.000 0.442 171 Y N -1.524 118.742 120.300 -0.057 0.000 2.430 171 Y HA 0.134 4.684 4.550 -0.000 0.000 0.254 171 Y C 0.372 176.044 175.900 -0.381 0.000 1.088 171 Y CA -0.421 57.551 58.100 -0.213 0.000 1.267 171 Y CB 0.839 39.126 38.460 -0.289 0.000 1.204 171 Y HN -0.021 nan 8.280 nan 0.000 0.515 172 H N 0.598 119.736 119.070 0.113 0.000 2.539 172 H HA 0.140 4.696 4.556 -0.000 0.000 0.332 172 H C 0.349 175.671 175.328 -0.010 0.000 1.031 172 H CA -0.333 55.738 56.048 0.039 0.000 1.206 172 H CB 2.197 31.975 29.762 0.027 0.000 1.446 172 H HN 0.107 nan 8.280 nan 0.000 0.496 173 Q N 2.907 122.740 119.800 0.054 0.000 2.119 173 Q HA -0.031 4.308 4.340 -0.000 0.000 0.201 173 Q C -0.125 175.861 176.000 -0.025 0.000 0.972 173 Q CA 1.472 57.271 55.803 -0.005 0.000 0.847 173 Q CB 0.456 29.171 28.738 -0.039 0.000 0.903 173 Q HN 0.486 nan 8.270 nan 0.000 0.433 174 R N -0.480 119.992 120.500 -0.046 0.000 2.476 174 R HA 0.549 4.888 4.340 -0.000 0.000 0.305 174 R C -1.617 174.672 176.300 -0.019 0.000 0.965 174 R CA -0.580 55.454 56.100 -0.110 0.000 0.867 174 R CB 2.342 32.327 30.300 -0.525 0.000 1.176 174 R HN -0.098 nan 8.270 nan 0.000 0.447 175 V N 4.527 124.487 119.914 0.076 0.000 2.495 175 V HA 0.347 4.466 4.120 -0.000 0.000 0.298 175 V C -0.667 175.529 176.094 0.170 0.000 1.031 175 V CA -0.914 61.412 62.300 0.043 0.000 0.871 175 V CB 1.825 33.604 31.823 -0.073 0.000 0.988 175 V HN 0.496 nan 8.190 nan 0.000 0.432 176 L N 5.725 127.045 121.223 0.162 0.000 2.275 176 L HA 0.562 4.902 4.340 -0.000 0.000 0.288 176 L C -1.055 175.899 176.870 0.141 0.000 1.046 176 L CA -0.161 54.775 54.840 0.159 0.000 0.805 176 L CB 1.034 43.181 42.059 0.146 0.000 1.193 176 L HN 0.655 nan 8.230 nan 0.000 0.426 177 Y N 5.893 126.202 120.300 0.015 0.000 2.335 177 Y HA 0.728 5.278 4.550 -0.000 0.000 0.338 177 Y C -1.037 174.925 175.900 0.103 0.000 0.977 177 Y CA -1.086 57.045 58.100 0.051 0.000 1.114 177 Y CB 1.096 39.587 38.460 0.051 0.000 1.182 177 Y HN 0.563 nan 8.280 nan 0.000 0.463 178 I N 5.981 126.275 120.570 -0.459 0.000 2.498 178 I HA 0.313 4.482 4.170 -0.000 0.000 0.290 178 I C -1.284 174.602 176.117 -0.384 0.000 1.032 178 I CA -0.797 60.361 61.300 -0.236 0.000 1.073 178 I CB 2.025 40.088 38.000 0.105 0.000 1.251 178 I HN 0.523 nan 8.210 nan 0.000 0.426 179 D N 6.912 127.262 120.400 -0.083 0.000 2.473 179 D HA 0.331 4.971 4.640 -0.000 0.000 0.253 179 D C 0.091 176.634 176.300 0.405 0.000 1.233 179 D CA -0.385 53.648 54.000 0.054 0.000 0.908 179 D CB 1.642 42.499 40.800 0.095 0.000 1.170 179 D HN 0.611 nan 8.370 nan 0.000 0.558 180 I N 0.009 120.783 120.570 0.339 0.000 3.976 180 I HA 0.324 4.494 4.170 -0.000 0.000 0.337 180 I C 0.481 176.809 176.117 0.353 0.000 1.359 180 I CA -0.533 60.985 61.300 0.364 0.000 1.098 180 I CB 0.314 38.357 38.000 0.072 0.000 1.027 180 I HN 0.086 nan 8.210 nan 0.000 0.394 181 D N 2.256 122.875 120.400 0.364 0.000 2.449 181 D HA -0.049 4.591 4.640 -0.000 0.000 0.236 181 D C 1.118 177.643 176.300 0.375 0.000 1.149 181 D CA 0.320 54.537 54.000 0.363 0.000 0.878 181 D CB 1.519 42.518 40.800 0.331 0.000 1.198 181 D HN 0.389 nan 8.370 nan 0.000 0.446 182 I N 2.360 123.037 120.570 0.180 0.000 2.614 182 I HA -0.199 3.971 4.170 -0.000 0.000 0.258 182 I C 0.354 176.510 176.117 0.065 0.000 1.189 182 I CA 0.745 61.973 61.300 -0.120 0.000 1.462 182 I CB 0.037 37.737 38.000 -0.499 0.000 1.092 182 I HN 0.358 nan 8.210 nan 0.000 0.442 183 H N -0.735 118.645 119.070 0.516 0.000 2.482 183 H HA 0.195 4.751 4.556 -0.000 0.000 0.344 183 H C 0.015 175.649 175.328 0.511 0.000 1.151 183 H CA -0.546 55.840 56.048 0.564 0.000 1.300 183 H CB 0.483 30.632 29.762 0.646 0.000 1.494 183 H HN 0.092 nan 8.280 nan 0.000 0.542 184 H N 1.244 120.487 119.070 0.288 0.000 2.964 184 H HA 0.017 4.572 4.556 -0.000 0.000 0.328 184 H C 0.372 175.671 175.328 -0.048 0.000 1.030 184 H CA -0.291 55.692 56.048 -0.109 0.000 1.445 184 H CB 0.536 30.056 29.762 -0.403 0.000 1.449 184 H HN 0.929 nan 8.280 nan 0.000 0.581 185 G N 4.784 113.367 108.800 -0.362 0.000 3.101 185 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.272 185 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.272 185 G C 0.905 175.438 174.900 -0.610 0.000 0.801 185 G CA -0.113 44.771 45.100 -0.360 0.000 1.978 185 G HN 0.819 nan 8.290 nan 0.000 0.591 186 D N 1.409 121.435 120.400 -0.624 0.000 2.144 186 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 186 D C 2.189 178.382 176.300 -0.178 0.000 0.978 186 D CA 1.118 54.884 54.000 -0.389 0.000 0.833 186 D CB -0.697 40.051 40.800 -0.088 0.000 0.961 186 D HN 0.294 nan 8.370 nan 0.000 0.470 187 G N 0.645 109.376 108.800 -0.115 0.000 2.422 187 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 187 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 187 G C 1.835 176.650 174.900 -0.143 0.000 1.140 187 G CA 1.042 46.106 45.100 -0.059 0.000 0.775 187 G HN 0.311 nan 8.290 nan 0.000 0.545 188 V N 0.480 120.295 119.914 -0.166 0.000 2.407 188 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 188 V C 2.495 178.537 176.094 -0.085 0.000 1.041 188 V CA 1.964 64.129 62.300 -0.225 0.000 1.040 188 V CB -0.297 31.257 31.823 -0.449 0.000 0.671 188 V HN 0.537 nan 8.190 nan 0.000 0.455 189 E N 0.551 120.739 120.200 -0.020 0.000 2.058 189 E HA -0.312 4.037 4.350 -0.000 0.000 0.194 189 E C 2.271 178.938 176.600 0.113 0.000 0.997 189 E CA 1.816 58.295 56.400 0.132 0.000 0.801 189 E CB -0.128 29.668 29.700 0.159 0.000 0.746 189 E HN 0.717 nan 8.360 nan 0.000 0.450 190 E N -0.100 120.078 120.200 -0.037 0.000 2.085 190 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 190 E C 1.944 178.495 176.600 -0.082 0.000 0.994 190 E CA 1.085 57.439 56.400 -0.077 0.000 0.801 190 E CB -0.188 29.453 29.700 -0.097 0.000 0.743 190 E HN 0.346 nan 8.360 nan 0.000 0.453 191 A N 0.142 122.806 122.820 -0.261 0.000 1.940 191 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 191 A C 1.489 178.712 177.584 -0.602 0.000 1.176 191 A CA 1.231 52.928 52.037 -0.567 0.000 0.631 191 A CB -0.510 17.716 19.000 -1.290 0.000 0.814 191 A HN 0.388 nan 8.150 nan 0.000 0.446 192 F N -3.239 116.717 119.950 0.011 0.000 2.668 192 F HA 0.252 4.779 4.527 -0.000 0.000 0.301 192 F C 1.319 177.179 175.800 0.101 0.000 1.106 192 F CA -0.536 57.482 58.000 0.030 0.000 1.289 192 F CB -0.050 38.939 39.000 -0.018 0.000 1.006 192 F HN 0.288 nan 8.300 nan 0.000 0.535 193 Y N 1.298 121.651 120.300 0.088 0.000 2.274 193 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 193 Y C 2.431 178.372 175.900 0.068 0.000 1.145 193 Y CA 1.752 59.897 58.100 0.075 0.000 1.203 193 Y CB 0.177 38.659 38.460 0.037 0.000 0.984 193 Y HN 0.125 nan 8.280 nan 0.000 0.533 194 T N -3.164 111.473 114.554 0.139 0.000 3.145 194 T HA 0.146 4.495 4.350 -0.000 0.000 0.255 194 T C 0.337 175.053 174.700 0.027 0.000 1.039 194 T CA 0.142 62.273 62.100 0.050 0.000 0.928 194 T CB 0.028 68.944 68.868 0.080 0.000 1.029 194 T HN 0.075 nan 8.240 nan 0.000 0.554 195 T N 1.679 116.257 114.554 0.040 0.000 2.887 195 T HA 0.401 4.750 4.350 -0.000 0.000 0.288 195 T C -0.010 174.601 174.700 -0.148 0.000 1.021 195 T CA -0.600 61.492 62.100 -0.014 0.000 1.000 195 T CB 1.567 70.475 68.868 0.067 0.000 1.034 195 T HN 0.225 nan 8.240 nan 0.000 0.467 196 D N 2.808 123.011 120.400 -0.330 0.000 2.339 196 D HA 0.061 4.700 4.640 -0.000 0.000 0.217 196 D C 1.446 177.546 176.300 -0.333 0.000 1.050 196 D CA 0.086 53.605 54.000 -0.803 0.000 0.856 196 D CB 0.045 40.153 40.800 -1.153 0.000 0.922 196 D HN 0.455 nan 8.370 nan 0.000 0.518 197 R N -0.061 120.359 120.500 -0.132 0.000 2.275 197 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 197 R C -0.197 176.109 176.300 0.009 0.000 0.989 197 R CA 0.229 56.313 56.100 -0.026 0.000 1.016 197 R CB 0.746 31.023 30.300 -0.039 0.000 0.918 197 R HN 0.069 nan 8.270 nan 0.000 0.473 198 V N 1.516 121.396 119.914 -0.055 0.000 2.569 198 V HA 0.266 4.386 4.120 -0.000 0.000 0.301 198 V C -0.625 175.425 176.094 -0.074 0.000 1.044 198 V CA -0.712 61.511 62.300 -0.129 0.000 0.874 198 V CB 1.967 33.447 31.823 -0.571 0.000 1.002 198 V HN 0.096 nan 8.190 nan 0.000 0.424 199 M N 5.083 124.585 119.600 -0.163 0.000 2.180 199 M HA 0.593 5.073 4.480 -0.000 0.000 0.350 199 M C -0.039 176.244 176.300 -0.028 0.000 1.125 199 M CA -0.108 55.045 55.300 -0.246 0.000 1.031 199 M CB 1.507 33.639 32.600 -0.781 0.000 1.623 199 M HN 0.836 nan 8.290 nan 0.000 0.451 200 T N 2.423 117.024 114.554 0.078 0.000 2.794 200 T HA 0.666 5.015 4.350 -0.000 0.000 0.280 200 T C -0.687 174.093 174.700 0.132 0.000 0.987 200 T CA -0.797 61.447 62.100 0.240 0.000 0.993 200 T CB 1.175 70.254 68.868 0.352 0.000 0.939 200 T HN 0.447 nan 8.240 nan 0.000 0.449 201 V N 2.984 122.952 119.914 0.090 0.000 2.409 201 V HA 0.633 4.753 4.120 -0.000 0.000 0.290 201 V C 0.016 176.088 176.094 -0.037 0.000 1.017 201 V CA -0.740 61.530 62.300 -0.049 0.000 0.841 201 V CB 1.264 33.019 31.823 -0.114 0.000 1.003 201 V HN 1.060 nan 8.190 nan 0.000 0.426 202 S N 4.978 120.685 115.700 0.013 0.000 2.473 202 S HA 0.824 5.294 4.470 -0.000 0.000 0.307 202 S C -1.079 173.550 174.600 0.049 0.000 1.094 202 S CA -0.374 57.974 58.200 0.247 0.000 1.070 202 S CB 0.671 64.216 63.200 0.576 0.000 1.019 202 S HN 0.370 nan 8.310 nan 0.000 0.480 203 F N 5.650 125.839 119.950 0.398 0.000 2.436 203 F HA 0.596 5.122 4.527 -0.000 0.000 0.340 203 F C 0.838 176.874 175.800 0.394 0.000 1.113 203 F CA -0.508 57.632 58.000 0.233 0.000 1.022 203 F CB 1.313 40.398 39.000 0.140 0.000 1.128 203 F HN 0.628 nan 8.300 nan 0.000 0.466 204 H N -0.004 119.447 119.070 0.636 0.000 3.037 204 H HA 0.294 4.849 4.556 -0.000 0.000 0.336 204 H C -1.498 174.168 175.328 0.564 0.000 1.323 204 H CA -1.352 55.031 56.048 0.558 0.000 1.159 204 H CB 1.490 31.559 29.762 0.511 0.000 1.882 204 H HN 0.589 nan 8.280 nan 0.000 0.535 205 K N 1.250 121.920 120.400 0.449 0.000 2.401 205 K HA 0.177 4.497 4.320 -0.000 0.000 0.278 205 K C -1.573 175.327 176.600 0.499 0.000 1.018 205 K CA -0.082 56.392 56.287 0.312 0.000 0.981 205 K CB 0.428 32.727 32.500 -0.336 0.000 0.933 205 K HN 0.556 nan 8.250 nan 0.000 0.477 206 Y N 1.547 122.026 120.300 0.299 0.000 2.457 206 Y HA 0.455 5.004 4.550 -0.000 0.000 0.343 206 Y C -0.446 175.571 175.900 0.196 0.000 0.994 206 Y CA 0.167 58.452 58.100 0.307 0.000 1.031 206 Y CB 2.433 41.090 38.460 0.329 0.000 1.246 206 Y HN 0.776 nan 8.280 nan 0.000 0.449 207 G N 4.417 112.979 108.800 -0.396 0.000 2.244 207 G HA2 0.021 3.981 3.960 -0.000 0.000 0.236 207 G HA3 0.021 3.981 3.960 -0.000 0.000 0.236 207 G C -0.615 174.229 174.900 -0.093 0.000 1.632 207 G CA -0.411 44.577 45.100 -0.186 0.000 1.231 207 G HN 0.856 nan 8.290 nan 0.000 0.635 208 E N -1.121 118.981 120.200 -0.162 0.000 2.228 208 E HA -0.253 4.097 4.350 -0.000 0.000 0.213 208 E C -0.155 176.501 176.600 0.093 0.000 1.282 208 E CA 1.300 57.673 56.400 -0.044 0.000 0.707 208 E CB -0.871 28.825 29.700 -0.008 0.000 1.150 208 E HN 0.839 nan 8.360 nan 0.000 0.362 209 Y N -0.416 119.835 120.300 -0.083 0.000 2.512 209 Y HA 0.421 4.971 4.550 -0.000 0.000 0.348 209 Y C -0.130 175.819 175.900 0.081 0.000 0.990 209 Y CA -1.571 56.554 58.100 0.042 0.000 1.033 209 Y CB 1.065 39.571 38.460 0.075 0.000 1.259 209 Y HN 0.087 nan 8.280 nan 0.000 0.461 210 F N 7.457 127.153 119.950 -0.424 0.000 2.602 210 F HA 0.184 4.711 4.527 -0.000 0.000 0.367 210 F C -1.531 174.214 175.800 -0.091 0.000 1.126 210 F CA -1.234 56.564 58.000 -0.336 0.000 1.321 210 F CB 1.046 39.719 39.000 -0.544 0.000 1.094 210 F HN 0.376 nan 8.300 nan 0.000 0.594 211 P HA 0.196 nan 4.420 nan 0.000 0.255 211 P C 0.611 177.558 177.300 -0.589 0.000 1.248 211 P CA 1.152 63.410 63.100 -1.404 0.000 0.807 211 P CB 0.562 31.481 31.700 -1.302 0.000 1.150 212 G N -0.504 108.131 108.800 -0.276 0.000 2.179 212 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.220 212 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.220 212 G C 0.359 175.215 174.900 -0.073 0.000 0.990 212 G CA 0.328 45.317 45.100 -0.186 0.000 0.646 212 G HN 0.558 nan 8.290 nan 0.000 0.517 213 T N -2.579 111.946 114.554 -0.049 0.000 2.876 213 T HA 0.700 5.050 4.350 -0.000 0.000 0.277 213 T C 1.435 175.948 174.700 -0.313 0.000 0.997 213 T CA 0.374 62.428 62.100 -0.076 0.000 0.966 213 T CB 1.592 70.432 68.868 -0.047 0.000 1.312 213 T HN 2.032 nan 8.240 nan 0.000 0.598 214 G N 0.541 108.850 108.800 -0.818 0.000 2.171 214 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.238 214 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.238 214 G C -0.241 174.503 174.900 -0.259 0.000 1.039 214 G CA 0.040 44.604 45.100 -0.893 0.000 0.759 214 G HN 1.050 nan 8.290 nan 0.000 0.501 215 D N -0.361 119.841 120.400 -0.330 0.000 2.399 215 D HA 0.183 4.823 4.640 -0.000 0.000 0.241 215 D C 1.780 177.906 176.300 -0.288 0.000 1.133 215 D CA -0.233 53.452 54.000 -0.526 0.000 0.890 215 D CB 0.893 41.551 40.800 -0.235 0.000 1.201 215 D HN 0.132 nan 8.370 nan 0.000 0.432 216 L N 4.718 125.754 121.223 -0.312 0.000 2.089 216 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 216 L C 2.156 178.942 176.870 -0.140 0.000 1.079 216 L CA 1.793 56.501 54.840 -0.220 0.000 0.758 216 L CB -0.174 41.735 42.059 -0.250 0.000 0.891 216 L HN 0.433 nan 8.230 nan 0.000 0.433 217 R N -0.486 119.942 120.500 -0.119 0.000 2.307 217 R HA 0.018 4.358 4.340 -0.000 0.000 0.199 217 R C -0.193 176.086 176.300 -0.035 0.000 1.000 217 R CA 0.173 56.231 56.100 -0.071 0.000 1.023 217 R CB -0.202 30.065 30.300 -0.055 0.000 0.908 217 R HN 0.337 nan 8.270 nan 0.000 0.473 218 D N 1.302 121.694 120.400 -0.014 0.000 2.402 218 D HA 0.042 4.682 4.640 -0.000 0.000 0.235 218 D C 0.891 177.248 176.300 0.096 0.000 1.226 218 D CA 0.210 54.268 54.000 0.098 0.000 0.918 218 D CB 0.658 41.519 40.800 0.102 0.000 1.043 218 D HN 0.314 nan 8.370 nan 0.000 0.506 219 I N -1.003 119.563 120.570 -0.006 0.000 4.081 219 I HA 0.453 4.622 4.170 -0.000 0.000 0.333 219 I C 0.781 176.698 176.117 -0.333 0.000 1.413 219 I CA -0.415 60.798 61.300 -0.146 0.000 1.110 219 I CB 0.404 38.274 38.000 -0.216 0.000 1.082 219 I HN 0.282 nan 8.210 nan 0.000 0.402 220 G N 1.369 109.778 108.800 -0.651 0.000 2.541 220 G HA2 0.367 4.327 3.960 -0.000 0.000 0.686 220 G HA3 0.367 4.327 3.960 -0.000 0.000 0.686 220 G C -1.061 173.374 174.900 -0.774 0.000 1.286 220 G CA -0.405 43.971 45.100 -1.208 0.000 0.894 220 G HN 0.930 nan 8.290 nan 0.000 0.575 221 A N -0.777 121.712 122.820 -0.552 0.000 2.539 221 A HA 1.208 5.527 4.320 -0.000 0.000 0.296 221 A C 1.264 178.792 177.584 -0.093 0.000 1.073 221 A CA 1.368 53.300 52.037 -0.174 0.000 0.700 221 A CB 1.096 20.120 19.000 0.040 0.000 1.296 221 A HN 3.056 nan 8.150 nan 0.000 0.405 222 G N 1.259 110.032 108.800 -0.045 0.000 2.556 222 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.283 222 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.283 222 G C 1.036 175.933 174.900 -0.004 0.000 1.177 222 G CA 0.708 45.801 45.100 -0.013 0.000 0.978 222 G HN 0.938 nan 8.290 nan 0.000 0.554 223 K N 1.238 121.637 120.400 -0.002 0.000 2.280 223 K HA -0.038 4.281 4.320 -0.000 0.000 0.202 223 K C 2.499 179.092 176.600 -0.013 0.000 1.047 223 K CA 1.314 57.598 56.287 -0.005 0.000 0.942 223 K CB -0.519 31.960 32.500 -0.034 0.000 0.739 223 K HN 0.604 nan 8.250 nan 0.000 0.457 224 G N 1.213 109.998 108.800 -0.024 0.000 2.985 224 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.209 224 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.209 224 G C 0.230 175.164 174.900 0.057 0.000 1.165 224 G CA -0.296 44.804 45.100 0.002 0.000 0.776 224 G HN 0.116 nan 8.290 nan 0.000 0.541 225 K N 0.141 120.541 120.400 -0.000 0.000 2.447 225 K HA 0.127 4.447 4.320 -0.000 0.000 0.281 225 K C -0.024 176.510 176.600 -0.111 0.000 1.031 225 K CA -0.230 55.938 56.287 -0.197 0.000 1.019 225 K CB 0.037 32.380 32.500 -0.262 0.000 0.918 225 K HN 0.279 nan 8.250 nan 0.000 0.476 226 Y N 1.038 121.245 120.300 -0.156 0.000 4.936 226 Y HA -0.280 4.270 4.550 -0.000 0.000 0.266 226 Y C -0.179 175.397 175.900 -0.540 0.000 0.909 226 Y CA 0.888 58.788 58.100 -0.333 0.000 1.828 226 Y CB -2.406 35.825 38.460 -0.382 0.000 1.283 226 Y HN 0.715 nan 8.280 nan 0.000 0.511 227 Y N -0.678 119.561 120.300 -0.102 0.000 2.485 227 Y HA 0.699 5.249 4.550 -0.000 0.000 0.260 227 Y C 1.122 176.926 175.900 -0.161 0.000 1.173 227 Y CA 0.100 58.098 58.100 -0.170 0.000 1.252 227 Y CB 0.658 39.020 38.460 -0.164 0.000 1.123 227 Y HN 0.195 nan 8.280 nan 0.000 0.524 228 A N 0.501 123.288 122.820 -0.056 0.000 2.331 228 A HA 0.762 5.081 4.320 -0.000 0.000 0.320 228 A C -1.161 176.417 177.584 -0.009 0.000 1.138 228 A CA -0.549 51.498 52.037 0.016 0.000 0.790 228 A CB 0.879 19.928 19.000 0.083 0.000 1.206 228 A HN -0.037 nan 8.150 nan 0.000 0.470 229 V N 3.656 123.574 119.914 0.007 0.000 2.531 229 V HA 0.460 4.580 4.120 -0.000 0.000 0.301 229 V C -0.789 175.299 176.094 -0.011 0.000 1.034 229 V CA -0.871 61.400 62.300 -0.049 0.000 0.865 229 V CB 1.851 33.602 31.823 -0.121 0.000 0.995 229 V HN 0.898 nan 8.190 nan 0.000 0.424 230 N N 3.527 122.215 118.700 -0.020 0.000 2.352 230 N HA 0.465 5.204 4.740 -0.000 0.000 0.291 230 N C -1.486 173.974 175.510 -0.083 0.000 1.040 230 N CA -0.280 52.806 53.050 0.060 0.000 0.864 230 N CB 2.713 41.285 38.487 0.142 0.000 1.440 230 N HN 0.703 nan 8.380 nan 0.000 0.483 231 F N 4.413 124.174 119.950 -0.315 0.000 2.311 231 F HA 0.374 4.901 4.527 -0.000 0.000 0.371 231 F C -2.091 173.515 175.800 -0.323 0.000 1.083 231 F CA -1.974 55.862 58.000 -0.273 0.000 1.113 231 F CB 1.431 40.310 39.000 -0.202 0.000 1.349 231 F HN 0.221 nan 8.300 nan 0.000 0.470 232 P HA 0.201 nan 4.420 nan 0.000 0.276 232 P C -0.995 176.594 177.300 0.482 0.000 1.235 232 P CA -0.045 63.138 63.100 0.138 0.000 0.772 232 P CB 1.444 33.145 31.700 0.001 0.000 0.871 233 M N 2.698 122.587 119.600 0.482 0.000 2.644 233 M HA 0.481 4.961 4.480 -0.000 0.000 0.304 233 M C 0.485 176.986 176.300 0.334 0.000 1.215 233 M CA -0.944 54.629 55.300 0.456 0.000 0.871 233 M CB 2.244 35.065 32.600 0.368 0.000 1.740 233 M HN 0.111 nan 8.290 nan 0.000 0.464 234 R N 0.510 121.090 120.500 0.134 0.000 2.691 234 R HA 0.411 4.751 4.340 -0.000 0.000 0.259 234 R C -1.114 175.257 176.300 0.118 0.000 1.048 234 R CA -0.874 55.260 56.100 0.056 0.000 1.086 234 R CB 0.286 30.511 30.300 -0.125 0.000 1.166 234 R HN 0.594 nan 8.270 nan 0.000 0.526 235 D N 0.021 120.473 120.400 0.088 0.000 2.515 235 D HA 0.117 4.757 4.640 -0.000 0.000 0.232 235 D C 1.231 177.570 176.300 0.064 0.000 1.157 235 D CA 1.862 55.932 54.000 0.118 0.000 0.871 235 D CB 0.199 41.027 40.800 0.047 0.000 1.200 235 D HN 0.716 nan 8.370 nan 0.000 0.466 236 G N 1.121 109.981 108.800 0.099 0.000 2.159 236 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 236 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 236 G C 0.542 175.402 174.900 -0.067 0.000 0.977 236 G CA 0.003 45.116 45.100 0.022 0.000 0.652 236 G HN 0.595 nan 8.290 nan 0.000 0.531 237 I N 1.781 122.220 120.570 -0.217 0.000 2.872 237 I HA 0.350 4.519 4.170 -0.000 0.000 0.291 237 I C 0.644 176.655 176.117 -0.175 0.000 1.216 237 I CA 0.528 61.662 61.300 -0.276 0.000 1.424 237 I CB 0.415 38.109 38.000 -0.511 0.000 1.351 237 I HN 0.425 nan 8.210 nan 0.000 0.592 238 D N 4.131 124.474 120.400 -0.095 0.000 2.467 238 D HA 0.250 4.890 4.640 -0.000 0.000 0.245 238 D C 0.275 176.552 176.300 -0.038 0.000 1.038 238 D CA -0.547 53.418 54.000 -0.058 0.000 1.038 238 D CB 0.554 41.332 40.800 -0.036 0.000 1.278 238 D HN 0.385 nan 8.370 nan 0.000 0.564 239 D N -0.244 120.132 120.400 -0.041 0.000 2.116 239 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 239 D C 1.444 177.745 176.300 0.001 0.000 0.998 239 D CA 1.358 55.337 54.000 -0.034 0.000 0.836 239 D CB 0.013 40.790 40.800 -0.039 0.000 0.951 239 D HN 0.676 nan 8.370 nan 0.000 0.449 240 E N 0.293 120.491 120.200 -0.003 0.000 2.051 240 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 240 E C 2.059 178.666 176.600 0.011 0.000 0.991 240 E CA 1.007 57.410 56.400 0.004 0.000 0.799 240 E CB 0.158 29.857 29.700 -0.002 0.000 0.748 240 E HN 0.056 nan 8.360 nan 0.000 0.449 241 S N -0.138 115.565 115.700 0.004 0.000 2.356 241 S HA -0.183 4.286 4.470 -0.000 0.000 0.223 241 S C 1.679 176.263 174.600 -0.026 0.000 1.032 241 S CA 1.227 59.424 58.200 -0.006 0.000 1.005 241 S CB -0.498 62.692 63.200 -0.016 0.000 0.867 241 S HN 0.397 nan 8.310 nan 0.000 0.449 242 Y N 2.064 122.272 120.300 -0.154 0.000 2.163 242 Y HA -0.064 4.485 4.550 -0.000 0.000 0.288 242 Y C 2.574 178.384 175.900 -0.150 0.000 1.136 242 Y CA 1.354 59.327 58.100 -0.211 0.000 1.147 242 Y CB -0.851 37.465 38.460 -0.240 0.000 0.987 242 Y HN 0.288 nan 8.280 nan 0.000 0.509 243 G N -0.726 108.146 108.800 0.121 0.000 2.442 243 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 243 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 243 G C 1.414 176.356 174.900 0.070 0.000 1.141 243 G CA 0.872 46.028 45.100 0.093 0.000 0.763 243 G HN 0.454 nan 8.290 nan 0.000 0.554 244 Q N -0.880 118.939 119.800 0.031 0.000 2.291 244 Q HA 0.016 4.355 4.340 -0.000 0.000 0.205 244 Q C 2.214 178.224 176.000 0.017 0.000 0.970 244 Q CA 0.482 56.300 55.803 0.025 0.000 0.876 244 Q CB -0.004 28.742 28.738 0.013 0.000 0.935 244 Q HN 0.467 nan 8.270 nan 0.000 0.455 245 I N -1.161 119.386 120.570 -0.038 0.000 2.628 245 I HA -0.116 4.054 4.170 -0.000 0.000 0.255 245 I C 1.630 177.737 176.117 -0.017 0.000 1.119 245 I CA 0.526 61.790 61.300 -0.059 0.000 1.448 245 I CB -0.153 37.654 38.000 -0.322 0.000 1.133 245 I HN 0.090 nan 8.210 nan 0.000 0.438 246 F N 1.519 121.304 119.950 -0.275 0.000 2.102 246 F HA -0.236 4.290 4.527 -0.000 0.000 0.298 246 F C 2.555 178.343 175.800 -0.020 0.000 1.105 246 F CA 2.021 59.835 58.000 -0.310 0.000 1.239 246 F CB -0.179 38.582 39.000 -0.398 0.000 0.991 246 F HN -0.108 nan 8.300 nan 0.000 0.474 247 K N -0.026 120.481 120.400 0.177 0.000 2.025 247 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 247 K C -0.745 175.929 176.600 0.122 0.000 1.049 247 K CA 1.424 57.808 56.287 0.162 0.000 0.933 247 K CB -1.162 31.458 32.500 0.199 0.000 0.714 247 K HN 0.172 nan 8.250 nan 0.000 0.438 248 P HA -0.176 nan 4.420 nan 0.000 0.215 248 P C 1.262 178.734 177.300 0.286 0.000 1.153 248 P CA 1.056 64.306 63.100 0.250 0.000 0.853 248 P CB 0.034 31.876 31.700 0.238 0.000 0.788 249 I N -0.946 119.764 120.570 0.232 0.000 2.179 249 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 249 I C 2.180 178.257 176.117 -0.066 0.000 1.088 249 I CA 1.565 62.958 61.300 0.155 0.000 1.357 249 I CB -1.364 36.803 38.000 0.278 0.000 1.051 249 I HN -0.063 nan 8.210 nan 0.000 0.409 250 I N 0.698 121.166 120.570 -0.171 0.000 2.226 250 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 250 I C 2.683 178.667 176.117 -0.222 0.000 1.100 250 I CA 1.161 62.301 61.300 -0.267 0.000 1.374 250 I CB -1.436 36.292 38.000 -0.454 0.000 1.057 250 I HN 0.157 nan 8.210 nan 0.000 0.413 251 S N 0.859 116.546 115.700 -0.021 0.000 2.370 251 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 251 S C 2.004 176.570 174.600 -0.058 0.000 1.033 251 S CA 1.685 59.939 58.200 0.090 0.000 1.011 251 S CB -0.236 63.109 63.200 0.242 0.000 0.852 251 S HN 0.303 nan 8.310 nan 0.000 0.457 252 K N 1.498 121.822 120.400 -0.128 0.000 2.097 252 K HA 0.031 4.350 4.320 -0.000 0.000 0.205 252 K C 1.809 178.251 176.600 -0.263 0.000 1.050 252 K CA 0.987 57.104 56.287 -0.282 0.000 0.938 252 K CB -0.675 31.380 32.500 -0.742 0.000 0.718 252 K HN 0.165 nan 8.250 nan 0.000 0.442 253 V N 0.788 120.553 119.914 -0.249 0.000 2.295 253 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 253 V C 2.356 178.369 176.094 -0.135 0.000 1.049 253 V CA 1.736 63.922 62.300 -0.191 0.000 1.024 253 V CB -0.418 31.295 31.823 -0.184 0.000 0.648 253 V HN 0.369 nan 8.190 nan 0.000 0.447 254 M N -0.552 118.900 119.600 -0.246 0.000 2.117 254 M HA -0.185 4.294 4.480 -0.000 0.000 0.262 254 M C 2.225 178.454 176.300 -0.119 0.000 1.065 254 M CA 1.789 56.921 55.300 -0.281 0.000 1.114 254 M CB -1.185 30.982 32.600 -0.722 0.000 1.361 254 M HN 0.509 nan 8.290 nan 0.000 0.408 255 E N -0.142 120.005 120.200 -0.089 0.000 2.077 255 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 255 E C 1.902 178.481 176.600 -0.034 0.000 0.989 255 E CA 1.142 57.522 56.400 -0.033 0.000 0.800 255 E CB 0.225 29.911 29.700 -0.023 0.000 0.746 255 E HN 0.285 nan 8.360 nan 0.000 0.452 256 M N -0.766 118.804 119.600 -0.050 0.000 2.287 256 M HA -0.057 4.423 4.480 -0.000 0.000 0.266 256 M C 1.977 178.314 176.300 0.062 0.000 1.079 256 M CA 1.160 56.443 55.300 -0.028 0.000 1.146 256 M CB -0.853 31.693 32.600 -0.091 0.000 1.374 256 M HN 0.227 nan 8.290 nan 0.000 0.435 257 Y N 1.203 121.461 120.300 -0.071 0.000 2.479 257 Y HA 0.047 4.596 4.550 -0.000 0.000 0.283 257 Y C 0.259 176.155 175.900 -0.007 0.000 1.109 257 Y CA 0.098 58.191 58.100 -0.011 0.000 1.239 257 Y CB 0.566 39.020 38.460 -0.009 0.000 1.108 257 Y HN 0.262 nan 8.280 nan 0.000 0.548 258 Q N 1.594 121.345 119.800 -0.082 0.000 2.448 258 Q HA -0.189 4.150 4.340 -0.000 0.000 0.356 258 Q C -2.551 173.292 176.000 -0.262 0.000 1.430 258 Q CA 0.119 55.838 55.803 -0.140 0.000 1.011 258 Q CB -1.408 27.267 28.738 -0.105 0.000 1.203 258 Q HN 0.357 nan 8.270 nan 0.000 0.351 259 P HA 0.042 nan 4.420 nan 0.000 0.276 259 P C 0.360 177.603 177.300 -0.095 0.000 1.252 259 P CA -0.133 62.836 63.100 -0.218 0.000 0.802 259 P CB 1.046 32.742 31.700 -0.006 0.000 1.035 260 S N -0.779 114.889 115.700 -0.053 0.000 2.523 260 S HA 0.518 4.988 4.470 -0.000 0.000 0.217 260 S C 0.607 175.147 174.600 -0.099 0.000 0.996 260 S CA -0.168 58.053 58.200 0.034 0.000 0.921 260 S CB 0.009 63.340 63.200 0.219 0.000 0.829 260 S HN 0.748 nan 8.310 nan 0.000 0.495 261 A N 0.596 123.280 122.820 -0.227 0.000 2.572 261 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 261 A C -1.325 176.179 177.584 -0.134 0.000 1.072 261 A CA -0.704 51.139 52.037 -0.324 0.000 0.691 261 A CB 1.622 20.160 19.000 -0.771 0.000 1.291 261 A HN 0.360 nan 8.150 nan 0.000 0.404 262 V N 0.772 120.640 119.914 -0.077 0.000 2.709 262 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 262 V C -0.691 175.417 176.094 0.023 0.000 1.062 262 V CA -0.619 61.682 62.300 0.001 0.000 0.901 262 V CB 1.799 33.641 31.823 0.032 0.000 1.003 262 V HN 0.744 nan 8.190 nan 0.000 0.425 263 V N 5.310 125.274 119.914 0.082 0.000 2.448 263 V HA 0.524 4.643 4.120 -0.000 0.000 0.295 263 V C -0.667 175.500 176.094 0.121 0.000 1.025 263 V CA -0.540 61.839 62.300 0.131 0.000 0.859 263 V CB 1.651 33.610 31.823 0.227 0.000 0.988 263 V HN 0.653 nan 8.190 nan 0.000 0.431 264 L N 4.771 126.046 121.223 0.086 0.000 2.316 264 L HA 0.519 4.859 4.340 -0.000 0.000 0.280 264 L C -0.262 176.661 176.870 0.089 0.000 1.006 264 L CA 0.066 54.943 54.840 0.062 0.000 0.836 264 L CB 1.555 43.677 42.059 0.105 0.000 1.221 264 L HN 0.670 nan 8.230 nan 0.000 0.418 265 Q N 4.465 124.302 119.800 0.062 0.000 2.314 265 Q HA 0.241 4.581 4.340 -0.000 0.000 0.257 265 Q C -0.902 175.209 176.000 0.185 0.000 0.975 265 Q CA -0.119 55.770 55.803 0.142 0.000 0.933 265 Q CB 1.041 29.899 28.738 0.200 0.000 1.195 265 Q HN 0.895 nan 8.270 nan 0.000 0.426 266 C N 3.764 123.236 119.300 0.286 0.000 2.352 266 C HA 0.360 4.820 4.460 -0.000 0.000 0.321 266 C C 0.993 176.382 174.990 0.665 0.000 1.407 266 C CA -0.859 58.437 59.018 0.463 0.000 1.783 266 C CB -0.815 27.282 27.740 0.594 0.000 2.698 266 C HN 0.808 nan 8.230 nan 0.000 0.555 267 G N 0.661 109.737 108.800 0.460 0.000 2.225 267 G HA2 0.354 4.314 3.960 -0.000 0.000 0.245 267 G HA3 0.354 4.314 3.960 -0.000 0.000 0.245 267 G C 0.833 175.991 174.900 0.430 0.000 1.249 267 G CA 0.462 45.832 45.100 0.450 0.000 0.919 267 G HN 0.749 nan 8.290 nan 0.000 0.486 268 A N 2.075 124.993 122.820 0.162 0.000 2.307 268 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 268 A C 1.677 179.176 177.584 -0.141 0.000 1.228 268 A CA 0.870 52.762 52.037 -0.242 0.000 0.857 268 A CB 0.046 18.600 19.000 -0.743 0.000 0.897 268 A HN 0.645 nan 8.150 nan 0.000 0.495 269 D N 0.183 120.600 120.400 0.030 0.000 2.378 269 D HA -0.103 4.537 4.640 -0.000 0.000 0.227 269 D C 1.342 177.688 176.300 0.076 0.000 1.012 269 D CA 1.093 55.160 54.000 0.111 0.000 0.905 269 D CB -0.677 40.337 40.800 0.357 0.000 0.895 269 D HN 0.382 nan 8.370 nan 0.000 0.532 270 S N -0.466 115.298 115.700 0.107 0.000 2.593 270 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 270 S C 0.886 175.607 174.600 0.202 0.000 0.966 270 S CA -0.510 57.790 58.200 0.166 0.000 0.914 270 S CB -0.378 63.019 63.200 0.329 0.000 0.776 270 S HN 0.190 nan 8.310 nan 0.000 0.523 271 L N 1.932 123.192 121.223 0.062 0.000 2.418 271 L HA 0.310 4.650 4.340 -0.000 0.000 0.265 271 L C 0.925 177.820 176.870 0.041 0.000 1.143 271 L CA -0.541 54.302 54.840 0.005 0.000 0.809 271 L CB 0.781 42.763 42.059 -0.127 0.000 1.124 271 L HN 0.135 nan 8.230 nan 0.000 0.456 272 S N 1.175 116.892 115.700 0.029 0.000 2.563 272 S HA 0.204 4.674 4.470 -0.000 0.000 0.294 272 S C 1.028 175.631 174.600 0.005 0.000 1.279 272 S CA 0.693 58.909 58.200 0.026 0.000 1.069 272 S CB -0.036 63.167 63.200 0.004 0.000 0.828 272 S HN 0.997 nan 8.310 nan 0.000 0.497 273 G N 3.632 112.443 108.800 0.019 0.000 2.157 273 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.248 273 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.248 273 G C -0.206 174.703 174.900 0.014 0.000 0.979 273 G CA 0.238 45.342 45.100 0.006 0.000 0.650 273 G HN 0.877 nan 8.290 nan 0.000 0.529 274 D N -0.498 119.924 120.400 0.037 0.000 2.424 274 D HA 0.414 5.054 4.640 -0.000 0.000 0.244 274 D C 1.814 178.172 176.300 0.096 0.000 1.134 274 D CA -0.298 53.743 54.000 0.068 0.000 0.881 274 D CB 0.379 41.242 40.800 0.106 0.000 1.191 274 D HN 0.218 nan 8.370 nan 0.000 0.445 275 R N 2.396 122.965 120.500 0.114 0.000 2.117 275 R HA -0.136 4.203 4.340 -0.000 0.000 0.243 275 R C 1.248 177.597 176.300 0.082 0.000 1.143 275 R CA 1.229 57.383 56.100 0.090 0.000 0.968 275 R CB -0.105 30.255 30.300 0.100 0.000 0.863 275 R HN 0.608 nan 8.270 nan 0.000 0.444 276 L N -1.944 119.357 121.223 0.129 0.000 2.672 276 L HA 0.264 4.604 4.340 -0.000 0.000 0.236 276 L C 1.211 178.194 176.870 0.187 0.000 1.092 276 L CA -0.247 54.646 54.840 0.088 0.000 0.887 276 L CB 0.567 42.574 42.059 -0.087 0.000 1.168 276 L HN 0.070 nan 8.230 nan 0.000 0.502 277 G N -0.880 108.035 108.800 0.191 0.000 2.488 277 G HA2 0.395 4.355 3.960 -0.000 0.000 0.318 277 G HA3 0.395 4.355 3.960 -0.000 0.000 0.318 277 G C -0.120 174.831 174.900 0.084 0.000 1.188 277 G CA -0.260 44.923 45.100 0.139 0.000 0.944 277 G HN 0.224 nan 8.290 nan 0.000 0.495 278 C N -0.196 119.114 119.300 0.016 0.000 2.994 278 C HA 0.464 4.923 4.460 -0.000 0.000 0.250 278 C C 0.322 175.465 174.990 0.255 0.000 1.814 278 C CA -1.017 58.050 59.018 0.083 0.000 1.730 278 C CB -2.167 25.586 27.740 0.021 0.000 3.258 278 C HN 0.451 nan 8.230 nan 0.000 0.472 279 F N 1.447 121.406 119.950 0.015 0.000 2.410 279 F HA 0.382 4.908 4.527 -0.000 0.000 0.324 279 F C 1.039 176.843 175.800 0.006 0.000 1.093 279 F CA -0.575 57.437 58.000 0.020 0.000 1.028 279 F CB 0.959 39.984 39.000 0.041 0.000 1.309 279 F HN 0.054 nan 8.300 nan 0.000 0.499 280 N N 1.539 120.321 118.700 0.136 0.000 2.571 280 N HA 0.247 4.986 4.740 -0.000 0.000 0.298 280 N C -1.299 174.214 175.510 0.006 0.000 1.671 280 N CA -0.053 53.028 53.050 0.052 0.000 0.900 280 N CB 0.035 38.533 38.487 0.018 0.000 1.365 280 N HN 0.351 nan 8.380 nan 0.000 0.493 281 L N 0.696 121.927 121.223 0.013 0.000 2.371 281 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 281 L C 1.239 178.093 176.870 -0.027 0.000 1.124 281 L CA -0.418 54.397 54.840 -0.042 0.000 0.816 281 L CB 1.037 43.047 42.059 -0.082 0.000 1.129 281 L HN 0.224 nan 8.230 nan 0.000 0.448 282 T N -1.331 113.201 114.554 -0.037 0.000 2.849 282 T HA 0.262 4.612 4.350 -0.000 0.000 0.276 282 T C 1.166 175.856 174.700 -0.017 0.000 0.971 282 T CA -0.853 61.228 62.100 -0.031 0.000 0.949 282 T CB 1.483 70.332 68.868 -0.032 0.000 1.093 282 T HN 0.217 nan 8.240 nan 0.000 0.545 283 V N 1.179 121.085 119.914 -0.013 0.000 2.407 283 V HA -0.124 3.995 4.120 -0.000 0.000 0.248 283 V C 2.796 178.952 176.094 0.103 0.000 1.055 283 V CA 1.811 64.115 62.300 0.007 0.000 1.049 283 V CB -0.864 30.918 31.823 -0.068 0.000 0.662 283 V HN 0.857 nan 8.190 nan 0.000 0.455 284 K N 0.096 120.525 120.400 0.049 0.000 2.057 284 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 284 K C 2.248 178.881 176.600 0.055 0.000 1.049 284 K CA 1.422 57.737 56.287 0.046 0.000 0.931 284 K CB -0.611 31.819 32.500 -0.116 0.000 0.714 284 K HN 0.556 nan 8.250 nan 0.000 0.440 285 G N -0.002 108.797 108.800 -0.002 0.000 2.408 285 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 285 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 285 G C 1.277 176.108 174.900 -0.115 0.000 1.150 285 G CA 1.143 46.206 45.100 -0.060 0.000 0.776 285 G HN 0.378 nan 8.290 nan 0.000 0.542 286 H N 0.646 119.616 119.070 -0.167 0.000 2.333 286 H HA 0.209 4.765 4.556 -0.000 0.000 0.302 286 H C 2.708 177.975 175.328 -0.101 0.000 1.075 286 H CA 1.632 57.565 56.048 -0.193 0.000 1.348 286 H CB -0.044 29.654 29.762 -0.107 0.000 1.393 286 H HN 0.286 nan 8.280 nan 0.000 0.509 287 A N 0.471 123.412 122.820 0.201 0.000 2.015 287 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 287 A C 2.164 179.788 177.584 0.067 0.000 1.163 287 A CA 1.553 53.707 52.037 0.195 0.000 0.646 287 A CB -0.435 18.794 19.000 0.382 0.000 0.806 287 A HN 0.378 nan 8.150 nan 0.000 0.448 288 K N 0.223 120.637 120.400 0.024 0.000 2.113 288 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 288 K C 1.659 178.201 176.600 -0.096 0.000 1.047 288 K CA 2.167 58.444 56.287 -0.017 0.000 0.928 288 K CB -1.159 31.326 32.500 -0.025 0.000 0.716 288 K HN 0.532 nan 8.250 nan 0.000 0.446 289 C N -0.752 118.357 119.300 -0.320 0.000 2.429 289 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 289 C C 2.541 177.478 174.990 -0.088 0.000 1.262 289 C CA 0.718 59.378 59.018 -0.598 0.000 1.733 289 C CB -0.790 26.315 27.740 -1.060 0.000 2.010 289 C HN 0.296 nan 8.230 nan 0.000 0.483 290 V N 1.133 121.036 119.914 -0.019 0.000 2.295 290 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 290 V C 2.364 178.517 176.094 0.099 0.000 1.049 290 V CA 2.118 64.469 62.300 0.086 0.000 1.024 290 V CB -0.876 31.012 31.823 0.109 0.000 0.648 290 V HN 0.585 nan 8.190 nan 0.000 0.447 291 E N 0.064 120.304 120.200 0.065 0.000 2.070 291 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 291 E C 2.245 178.907 176.600 0.103 0.000 1.004 291 E CA 1.738 58.175 56.400 0.062 0.000 0.805 291 E CB -0.379 29.347 29.700 0.043 0.000 0.744 291 E HN 0.433 nan 8.360 nan 0.000 0.451 292 V N 0.891 120.906 119.914 0.169 0.000 2.255 292 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 292 V C 2.354 178.655 176.094 0.345 0.000 1.051 292 V CA 1.580 64.038 62.300 0.264 0.000 1.018 292 V CB -0.427 31.659 31.823 0.439 0.000 0.641 292 V HN 0.150 nan 8.190 nan 0.000 0.445 293 V N -0.353 119.794 119.914 0.388 0.000 2.332 293 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 293 V C 2.410 178.696 176.094 0.320 0.000 1.055 293 V CA 2.128 64.665 62.300 0.395 0.000 1.038 293 V CB -0.771 31.232 31.823 0.300 0.000 0.651 293 V HN 0.541 nan 8.190 nan 0.000 0.450 294 K N 0.369 120.882 120.400 0.187 0.000 2.211 294 K HA -0.197 4.122 4.320 -0.000 0.000 0.204 294 K C 2.169 178.805 176.600 0.060 0.000 1.047 294 K CA 1.866 58.220 56.287 0.112 0.000 0.935 294 K CB -0.505 32.033 32.500 0.065 0.000 0.728 294 K HN 0.759 nan 8.250 nan 0.000 0.452 295 T N -1.286 113.258 114.554 -0.016 0.000 2.929 295 T HA -0.122 4.228 4.350 -0.000 0.000 0.271 295 T C 1.497 175.998 174.700 -0.332 0.000 1.085 295 T CA 0.868 62.841 62.100 -0.212 0.000 1.125 295 T CB -0.344 68.315 68.868 -0.350 0.000 0.874 295 T HN 0.046 nan 8.240 nan 0.000 0.494 296 F N 1.941 121.916 119.950 0.041 0.000 2.748 296 F HA 0.290 4.816 4.527 -0.000 0.000 0.299 296 F C 0.991 176.807 175.800 0.026 0.000 1.154 296 F CA -0.325 57.695 58.000 0.033 0.000 1.446 296 F CB -0.628 38.393 39.000 0.034 0.000 1.112 296 F HN 0.117 nan 8.300 nan 0.000 0.584 297 N N 0.927 119.704 118.700 0.128 0.000 2.735 297 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 297 N C -0.730 174.835 175.510 0.092 0.000 1.083 297 N CA 0.571 53.671 53.050 0.083 0.000 0.703 297 N CB -1.750 36.767 38.487 0.050 0.000 1.005 297 N HN 0.277 nan 8.380 nan 0.000 0.550 298 L N 0.102 121.390 121.223 0.109 0.000 2.331 298 L HA 0.519 4.859 4.340 -0.000 0.000 0.275 298 L C -1.752 175.144 176.870 0.044 0.000 1.022 298 L CA -1.930 52.954 54.840 0.073 0.000 0.812 298 L CB 1.025 43.124 42.059 0.067 0.000 1.257 298 L HN -0.237 nan 8.230 nan 0.000 0.435 299 P HA 0.026 nan 4.420 nan 0.000 0.261 299 P C -1.083 176.205 177.300 -0.020 0.000 1.183 299 P CA 0.093 63.193 63.100 -0.000 0.000 0.761 299 P CB 0.411 32.099 31.700 -0.021 0.000 0.785 300 L N 5.101 126.324 121.223 0.000 0.000 2.409 300 L HA 0.566 4.906 4.340 -0.000 0.000 0.272 300 L C -1.606 175.261 176.870 -0.006 0.000 0.980 300 L CA -0.914 53.930 54.840 0.007 0.000 0.826 300 L CB 1.829 43.910 42.059 0.037 0.000 1.268 300 L HN 0.116 nan 8.230 nan 0.000 0.407 301 L N 5.637 126.852 121.223 -0.013 0.000 2.280 301 L HA 0.649 4.989 4.340 -0.000 0.000 0.287 301 L C -0.963 175.883 176.870 -0.040 0.000 1.023 301 L CA -0.055 54.765 54.840 -0.034 0.000 0.819 301 L CB 1.192 43.231 42.059 -0.034 0.000 1.212 301 L HN 0.726 nan 8.230 nan 0.000 0.420 302 M N 6.394 125.925 119.600 -0.114 0.000 2.205 302 M HA 0.508 4.988 4.480 -0.000 0.000 0.344 302 M C -1.009 175.105 176.300 -0.310 0.000 1.085 302 M CA -0.188 55.017 55.300 -0.158 0.000 1.001 302 M CB 1.445 33.917 32.600 -0.213 0.000 1.626 302 M HN 0.487 nan 8.290 nan 0.000 0.442 303 L N 1.060 122.193 121.223 -0.149 0.000 2.301 303 L HA 0.790 5.130 4.340 -0.000 0.000 0.264 303 L C 0.813 177.667 176.870 -0.026 0.000 1.016 303 L CA -0.904 53.845 54.840 -0.152 0.000 0.821 303 L CB 1.821 43.860 42.059 -0.033 0.000 1.346 303 L HN 0.795 nan 8.230 nan 0.000 0.429 304 G N -0.572 108.164 108.800 -0.106 0.000 2.679 304 G HA2 0.608 4.568 3.960 -0.000 0.000 0.202 304 G HA3 0.608 4.568 3.960 -0.000 0.000 0.202 304 G C 0.097 175.051 174.900 0.091 0.000 1.566 304 G CA 0.401 45.323 45.100 -0.296 0.000 1.074 304 G HN 0.994 nan 8.290 nan 0.000 0.564 305 G N -2.435 106.528 108.800 0.272 0.000 2.491 305 G HA2 0.538 4.498 3.960 -0.000 0.000 0.183 305 G HA3 0.538 4.498 3.960 -0.000 0.000 0.183 305 G C 0.234 175.341 174.900 0.346 0.000 1.221 305 G CA 0.268 45.515 45.100 0.245 0.000 0.996 305 G HN 1.348 nan 8.290 nan 0.000 0.474 306 G N -1.214 107.750 108.800 0.274 0.000 2.611 306 G HA2 0.724 4.684 3.960 -0.000 0.000 0.273 306 G HA3 0.724 4.684 3.960 -0.000 0.000 0.273 306 G C 0.556 175.355 174.900 -0.167 0.000 1.305 306 G CA 0.493 45.696 45.100 0.172 0.000 1.010 306 G HN 2.243 nan 8.290 nan 0.000 0.509 307 G N -2.223 106.075 108.800 -0.836 0.000 2.677 307 G HA2 0.184 4.144 3.960 -0.000 0.000 0.321 307 G HA3 0.184 4.144 3.960 -0.000 0.000 0.321 307 G C -0.671 173.608 174.900 -1.035 0.000 1.449 307 G CA -0.464 44.197 45.100 -0.732 0.000 1.064 307 G HN 0.660 nan 8.290 nan 0.000 0.627 308 Y N 0.528 120.806 120.300 -0.037 0.000 2.499 308 Y HA 0.307 4.857 4.550 -0.000 0.000 0.253 308 Y C 1.602 177.469 175.900 -0.055 0.000 1.105 308 Y CA 0.157 58.242 58.100 -0.024 0.000 1.240 308 Y CB 1.520 39.996 38.460 0.027 0.000 1.289 308 Y HN 0.449 nan 8.280 nan 0.000 0.534 309 T N 3.607 118.145 114.554 -0.026 0.000 3.016 309 T HA 0.213 4.562 4.350 -0.000 0.000 0.335 309 T C 1.553 176.172 174.700 -0.135 0.000 1.176 309 T CA -0.288 61.777 62.100 -0.059 0.000 0.987 309 T CB 0.023 68.857 68.868 -0.056 0.000 1.073 309 T HN 0.354 nan 8.240 nan 0.000 0.547 310 I N 1.775 122.274 120.570 -0.118 0.000 2.493 310 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 310 I C 2.495 178.494 176.117 -0.198 0.000 1.160 310 I CA 0.880 62.082 61.300 -0.163 0.000 1.445 310 I CB -0.352 37.594 38.000 -0.090 0.000 1.086 310 I HN 0.426 nan 8.210 nan 0.000 0.433 311 R N 1.335 121.718 120.500 -0.195 0.000 2.127 311 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 311 R C 1.504 177.760 176.300 -0.073 0.000 1.134 311 R CA 1.889 57.830 56.100 -0.264 0.000 0.975 311 R CB -0.958 29.130 30.300 -0.353 0.000 0.865 311 R HN 0.395 nan 8.270 nan 0.000 0.447 312 N N 0.763 119.376 118.700 -0.145 0.000 2.250 312 N HA -0.034 4.706 4.740 -0.000 0.000 0.181 312 N C 1.902 177.217 175.510 -0.325 0.000 1.017 312 N CA 1.039 53.982 53.050 -0.177 0.000 0.866 312 N CB -0.184 38.201 38.487 -0.171 0.000 0.985 312 N HN 0.037 nan 8.380 nan 0.000 0.429 313 V N 1.810 121.463 119.914 -0.434 0.000 2.255 313 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 313 V C 2.459 178.162 176.094 -0.653 0.000 1.051 313 V CA 2.016 63.856 62.300 -0.768 0.000 1.018 313 V CB -1.099 30.253 31.823 -0.785 0.000 0.641 313 V HN 0.292 nan 8.190 nan 0.000 0.445 314 A N -0.096 122.541 122.820 -0.304 0.000 1.883 314 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 314 A C 2.353 179.896 177.584 -0.069 0.000 1.186 314 A CA 2.193 54.175 52.037 -0.091 0.000 0.624 314 A CB -0.557 18.522 19.000 0.132 0.000 0.822 314 A HN 0.544 nan 8.150 nan 0.000 0.444 315 R N -1.349 119.121 120.500 -0.049 0.000 2.083 315 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 315 R C 2.405 178.610 176.300 -0.159 0.000 1.137 315 R CA 1.518 57.557 56.100 -0.101 0.000 0.951 315 R CB -0.990 29.246 30.300 -0.106 0.000 0.851 315 R HN 0.664 nan 8.270 nan 0.000 0.434 316 C N -0.187 118.946 119.300 -0.278 0.000 2.432 316 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 316 C C 2.196 177.100 174.990 -0.144 0.000 1.249 316 C CA 0.370 59.219 59.018 -0.282 0.000 1.725 316 C CB -0.933 26.452 27.740 -0.591 0.000 2.028 316 C HN 0.620 nan 8.230 nan 0.000 0.477 317 W N 0.642 121.666 121.300 -0.461 0.000 2.518 317 W HA 0.100 4.760 4.660 -0.000 0.000 0.273 317 W C 2.549 178.832 176.519 -0.393 0.000 1.247 317 W CA 1.089 57.907 57.345 -0.877 0.000 1.288 317 W CB -1.759 26.725 29.460 -1.627 0.000 1.107 317 W HN 0.311 nan 8.180 nan 0.000 0.586 318 T N 0.050 114.605 114.554 0.003 0.000 2.674 318 T HA -0.269 4.081 4.350 -0.000 0.000 0.265 318 T C 1.541 176.265 174.700 0.040 0.000 1.039 318 T CA 1.722 63.854 62.100 0.053 0.000 1.150 318 T CB -0.794 68.089 68.868 0.026 0.000 0.864 318 T HN 0.039 nan 8.240 nan 0.000 0.427 319 Y N 1.939 122.174 120.300 -0.109 0.000 2.181 319 Y HA -0.116 4.434 4.550 -0.000 0.000 0.288 319 Y C 2.299 178.222 175.900 0.037 0.000 1.146 319 Y CA 1.352 59.397 58.100 -0.093 0.000 1.164 319 Y CB -0.313 38.076 38.460 -0.118 0.000 0.982 319 Y HN 0.316 nan 8.280 nan 0.000 0.515 320 E N -1.305 118.948 120.200 0.087 0.000 2.204 320 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 320 E C 1.966 178.714 176.600 0.246 0.000 0.990 320 E CA 1.509 58.005 56.400 0.159 0.000 0.821 320 E CB -0.077 29.838 29.700 0.359 0.000 0.750 320 E HN 0.446 nan 8.360 nan 0.000 0.477 321 T N 0.600 115.344 114.554 0.317 0.000 2.812 321 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 321 T C 2.014 176.745 174.700 0.052 0.000 1.042 321 T CA 1.026 63.303 62.100 0.294 0.000 1.140 321 T CB -0.145 68.945 68.868 0.370 0.000 0.870 321 T HN 0.235 nan 8.240 nan 0.000 0.445 322 A N 1.203 123.983 122.820 -0.068 0.000 1.902 322 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 322 A C 2.573 180.046 177.584 -0.186 0.000 1.181 322 A CA 1.371 53.311 52.037 -0.161 0.000 0.623 322 A CB -1.112 17.745 19.000 -0.239 0.000 0.818 322 A HN 0.337 nan 8.150 nan 0.000 0.443 323 V N -0.025 119.726 119.914 -0.272 0.000 2.255 323 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 323 V C 3.085 179.137 176.094 -0.070 0.000 1.051 323 V CA 2.122 64.299 62.300 -0.206 0.000 1.018 323 V CB -1.375 30.323 31.823 -0.207 0.000 0.641 323 V HN 0.635 nan 8.190 nan 0.000 0.445 324 A N -0.396 122.418 122.820 -0.010 0.000 1.948 324 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 324 A C 2.078 179.660 177.584 -0.003 0.000 1.177 324 A CA 1.944 53.993 52.037 0.019 0.000 0.636 324 A CB -0.606 18.428 19.000 0.057 0.000 0.815 324 A HN 0.551 nan 8.150 nan 0.000 0.449 325 L N -1.054 120.156 121.223 -0.022 0.000 2.599 325 L HA 0.018 4.358 4.340 -0.000 0.000 0.230 325 L C 0.490 177.336 176.870 -0.040 0.000 1.141 325 L CA 0.417 55.238 54.840 -0.033 0.000 0.877 325 L CB -0.401 41.629 42.059 -0.049 0.000 1.009 325 L HN 0.402 nan 8.230 nan 0.000 0.447 326 D N -0.509 119.864 120.400 -0.045 0.000 2.708 326 D HA -0.240 4.399 4.640 -0.000 0.000 0.236 326 D C -0.456 175.815 176.300 -0.047 0.000 1.146 326 D CA 0.401 54.375 54.000 -0.043 0.000 0.662 326 D CB -1.074 39.710 40.800 -0.026 0.000 1.059 326 D HN 0.305 nan 8.370 nan 0.000 0.428 327 C N 0.979 120.238 119.300 -0.068 0.000 2.417 327 C HA 0.607 5.067 4.460 -0.000 0.000 0.324 327 C C -0.056 174.895 174.990 -0.065 0.000 1.240 327 C CA -0.770 58.210 59.018 -0.063 0.000 1.632 327 C CB 1.371 29.065 27.740 -0.076 0.000 2.241 327 C HN 0.221 nan 8.230 nan 0.000 0.499 328 E N 3.378 123.567 120.200 -0.019 0.000 2.248 328 E HA 0.619 4.968 4.350 -0.000 0.000 0.272 328 E C -0.537 176.076 176.600 0.022 0.000 1.008 328 E CA -0.175 56.245 56.400 0.034 0.000 0.856 328 E CB 1.637 31.378 29.700 0.068 0.000 1.120 328 E HN 0.768 nan 8.360 nan 0.000 0.397 329 I N -1.068 119.532 120.570 0.049 0.000 2.828 329 I HA 0.577 4.747 4.170 -0.000 0.000 0.302 329 I C -2.462 173.711 176.117 0.092 0.000 1.101 329 I CA -2.579 58.709 61.300 -0.019 0.000 1.031 329 I CB 2.041 39.793 38.000 -0.413 0.000 1.231 329 I HN 0.146 nan 8.210 nan 0.000 0.427 330 P HA 0.144 nan 4.420 nan 0.000 0.271 330 P C -0.176 177.257 177.300 0.222 0.000 1.218 330 P CA -0.050 63.169 63.100 0.199 0.000 0.780 330 P CB 0.779 32.596 31.700 0.194 0.000 0.901 331 N N 1.010 119.809 118.700 0.165 0.000 2.223 331 N HA -0.173 4.566 4.740 -0.000 0.000 0.185 331 N C 0.413 176.002 175.510 0.131 0.000 1.016 331 N CA 0.792 53.932 53.050 0.150 0.000 0.863 331 N CB -0.441 38.132 38.487 0.144 0.000 0.983 331 N HN 0.500 nan 8.380 nan 0.000 0.429 332 E N 0.690 120.968 120.200 0.132 0.000 2.292 332 E HA 0.037 4.387 4.350 -0.000 0.000 0.265 332 E C -0.455 176.199 176.600 0.091 0.000 1.093 332 E CA -0.014 56.455 56.400 0.114 0.000 0.922 332 E CB -0.037 29.720 29.700 0.094 0.000 1.001 332 E HN 0.225 nan 8.360 nan 0.000 0.444 333 L N 7.476 128.745 121.223 0.076 0.000 2.490 333 L HA 0.207 4.547 4.340 -0.000 0.000 0.274 333 L C -1.579 175.256 176.870 -0.059 0.000 1.201 333 L CA -1.610 53.195 54.840 -0.059 0.000 0.869 333 L CB 0.129 42.131 42.059 -0.095 0.000 1.123 333 L HN 0.582 nan 8.230 nan 0.000 0.484 334 P HA -0.020 nan 4.420 nan 0.000 0.274 334 P C -0.794 176.461 177.300 -0.075 0.000 1.237 334 P CA -0.370 62.584 63.100 -0.244 0.000 0.793 334 P CB 0.509 31.949 31.700 -0.434 0.000 0.977 335 Y N 2.610 122.722 120.300 -0.314 0.000 2.683 335 Y HA -0.010 4.540 4.550 -0.000 0.000 0.340 335 Y C 0.701 176.490 175.900 -0.185 0.000 1.245 335 Y CA 1.035 58.842 58.100 -0.487 0.000 1.485 335 Y CB 0.272 38.396 38.460 -0.561 0.000 1.328 335 Y HN 0.611 nan 8.280 nan 0.000 0.603 336 N N 0.575 118.809 118.700 -0.777 0.000 3.046 336 N HA 0.158 4.898 4.740 -0.000 0.000 0.243 336 N C -0.932 174.210 175.510 -0.614 0.000 1.452 336 N CA -0.692 52.079 53.050 -0.466 0.000 0.882 336 N CB 0.683 39.088 38.487 -0.137 0.000 1.425 336 N HN 0.360 nan 8.380 nan 0.000 0.517 337 D N -1.009 119.086 120.400 -0.509 0.000 2.309 337 D HA -0.074 4.566 4.640 -0.000 0.000 0.212 337 D C -0.121 175.649 176.300 -0.882 0.000 0.968 337 D CA 1.576 55.139 54.000 -0.727 0.000 0.882 337 D CB -0.113 40.124 40.800 -0.938 0.000 0.918 337 D HN 0.570 nan 8.370 nan 0.000 0.503 338 Y N -1.274 119.003 120.300 -0.039 0.000 2.716 338 Y HA 0.206 4.756 4.550 -0.000 0.000 0.260 338 Y C 1.283 177.334 175.900 0.251 0.000 1.141 338 Y CA -0.771 57.275 58.100 -0.091 0.000 1.168 338 Y CB -0.375 37.718 38.460 -0.611 0.000 1.189 338 Y HN -0.199 nan 8.280 nan 0.000 0.549 339 F N 2.662 122.714 119.950 0.171 0.000 2.087 339 F HA -0.323 4.204 4.527 -0.000 0.000 0.299 339 F C 2.572 178.747 175.800 0.625 0.000 1.100 339 F CA 2.141 60.354 58.000 0.354 0.000 1.226 339 F CB 0.249 39.274 39.000 0.042 0.000 0.983 339 F HN 0.264 nan 8.300 nan 0.000 0.479 340 E N -0.433 120.110 120.200 0.571 0.000 2.267 340 E HA -0.285 4.064 4.350 -0.000 0.000 0.197 340 E C 1.746 178.523 176.600 0.295 0.000 0.998 340 E CA 1.385 58.069 56.400 0.472 0.000 0.830 340 E CB -1.350 28.565 29.700 0.359 0.000 0.751 340 E HN 0.528 nan 8.360 nan 0.000 0.491 341 Y N -0.121 120.159 120.300 -0.034 0.000 2.509 341 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 341 Y C 1.480 177.069 175.900 -0.518 0.000 1.133 341 Y CA 0.498 58.402 58.100 -0.327 0.000 1.283 341 Y CB -0.454 37.673 38.460 -0.556 0.000 1.001 341 Y HN 0.003 nan 8.280 nan 0.000 0.555 342 F N -0.705 119.235 119.950 -0.017 0.000 2.693 342 F HA 0.320 4.846 4.527 -0.000 0.000 0.303 342 F C 1.728 177.095 175.800 -0.720 0.000 1.097 342 F CA -0.391 57.456 58.000 -0.255 0.000 1.330 342 F CB -0.476 38.417 39.000 -0.177 0.000 1.067 342 F HN -0.146 nan 8.300 nan 0.000 0.565 343 G N 1.547 109.886 108.800 -0.767 0.000 2.699 343 G HA2 0.153 4.113 3.960 -0.000 0.000 0.246 343 G HA3 0.153 4.113 3.960 -0.000 0.000 0.246 343 G C -1.378 173.196 174.900 -0.543 0.000 1.219 343 G CA -0.726 43.694 45.100 -1.134 0.000 0.866 343 G HN 0.035 nan 8.290 nan 0.000 0.572 344 P HA 0.051 nan 4.420 nan 0.000 0.251 344 P C 0.655 177.703 177.300 -0.421 0.000 1.223 344 P CA 0.742 63.603 63.100 -0.397 0.000 0.796 344 P CB 0.421 32.031 31.700 -0.150 0.000 1.068 345 D N -0.586 119.562 120.400 -0.420 0.000 2.301 345 D HA -0.087 4.552 4.640 -0.000 0.000 0.206 345 D C 0.450 176.725 176.300 -0.042 0.000 0.979 345 D CA -0.074 53.835 54.000 -0.151 0.000 0.874 345 D CB -0.867 39.882 40.800 -0.087 0.000 0.968 345 D HN 0.089 nan 8.370 nan 0.000 0.510 346 F N 0.816 120.728 119.950 -0.064 0.000 3.067 346 F HA -0.203 4.323 4.527 -0.000 0.000 0.279 346 F C 0.191 175.944 175.800 -0.078 0.000 0.945 346 F CA 0.400 58.311 58.000 -0.149 0.000 0.948 346 F CB -1.650 37.183 39.000 -0.279 0.000 0.898 346 F HN -0.087 nan 8.300 nan 0.000 0.746 347 K N 0.374 120.787 120.400 0.022 0.000 2.208 347 K HA 0.534 4.853 4.320 -0.000 0.000 0.247 347 K C 0.711 177.279 176.600 -0.053 0.000 0.953 347 K CA -0.990 55.306 56.287 0.015 0.000 0.837 347 K CB 1.677 34.193 32.500 0.026 0.000 1.131 347 K HN 0.076 nan 8.250 nan 0.000 0.431 348 L N 1.685 122.858 121.223 -0.084 0.000 2.027 348 L HA -0.062 4.277 4.340 -0.000 0.000 0.206 348 L C 0.691 177.341 176.870 -0.367 0.000 1.074 348 L CA 1.873 56.568 54.840 -0.242 0.000 0.745 348 L CB -0.216 41.645 42.059 -0.329 0.000 0.898 348 L HN 0.488 nan 8.230 nan 0.000 0.433 349 H N 0.261 119.257 119.070 -0.124 0.000 2.505 349 H HA 0.419 4.974 4.556 -0.000 0.000 0.351 349 H C -0.110 175.154 175.328 -0.107 0.000 1.151 349 H CA -0.061 55.891 56.048 -0.161 0.000 1.339 349 H CB 1.025 30.669 29.762 -0.197 0.000 1.483 349 H HN 0.256 nan 8.280 nan 0.000 0.558 350 I N -1.255 119.328 120.570 0.021 0.000 2.693 350 I HA 0.477 4.646 4.170 -0.000 0.000 0.303 350 I C -0.276 175.833 176.117 -0.013 0.000 1.025 350 I CA -0.793 60.498 61.300 -0.015 0.000 1.086 350 I CB 2.132 40.107 38.000 -0.043 0.000 1.268 350 I HN 0.185 nan 8.210 nan 0.000 0.440 351 S N 4.270 119.958 115.700 -0.021 0.000 2.585 351 S HA 0.547 5.017 4.470 -0.000 0.000 0.277 351 S C -2.221 172.365 174.600 -0.022 0.000 1.241 351 S CA -0.907 57.280 58.200 -0.022 0.000 1.041 351 S CB 0.958 64.146 63.200 -0.021 0.000 0.987 351 S HN 0.611 nan 8.310 nan 0.000 0.512 352 P HA 0.225 nan 4.420 nan 0.000 0.274 352 P C -0.383 176.909 177.300 -0.012 0.000 1.246 352 P CA -0.479 62.611 63.100 -0.016 0.000 0.795 352 P CB 0.489 32.178 31.700 -0.018 0.000 1.006 353 S N 0.306 116.003 115.700 -0.006 0.000 2.713 353 S HA 0.170 4.639 4.470 -0.000 0.000 0.277 353 S C 1.073 175.671 174.600 -0.003 0.000 1.168 353 S CA -0.546 57.651 58.200 -0.004 0.000 0.994 353 S CB 0.076 63.277 63.200 0.002 0.000 1.054 353 S HN 0.570 nan 8.310 nan 0.000 0.555 354 N N 0.229 118.928 118.700 -0.002 0.000 2.449 354 N HA -0.022 4.718 4.740 -0.000 0.000 0.191 354 N C 0.691 176.202 175.510 0.001 0.000 1.161 354 N CA -0.055 52.994 53.050 -0.002 0.000 0.863 354 N CB -0.896 37.590 38.487 -0.003 0.000 0.980 354 N HN 0.892 nan 8.380 nan 0.000 0.458 355 M N -0.171 119.432 119.600 0.005 0.000 2.250 355 M HA 0.119 4.599 4.480 -0.000 0.000 0.337 355 M C -0.651 175.651 176.300 0.004 0.000 1.161 355 M CA 0.234 55.540 55.300 0.009 0.000 1.088 355 M CB 0.070 32.682 32.600 0.019 0.000 1.639 355 M HN -0.200 nan 8.290 nan 0.000 0.447 356 T N 2.970 117.526 114.554 0.003 0.000 2.888 356 T HA 0.047 4.396 4.350 -0.000 0.000 0.301 356 T C 0.259 174.955 174.700 -0.007 0.000 1.001 356 T CA -0.205 61.894 62.100 -0.003 0.000 1.147 356 T CB -0.073 68.793 68.868 -0.004 0.000 0.931 356 T HN 0.708 nan 8.240 nan 0.000 0.541 357 N N 2.737 121.429 118.700 -0.014 0.000 2.402 357 N HA 0.033 4.773 4.740 -0.000 0.000 0.252 357 N C 1.099 176.588 175.510 -0.034 0.000 1.118 357 N CA -0.002 53.032 53.050 -0.027 0.000 0.945 357 N CB 0.630 39.099 38.487 -0.029 0.000 1.147 357 N HN 0.524 nan 8.380 nan 0.000 0.495 358 Q N 1.594 121.366 119.800 -0.047 0.000 2.436 358 Q HA 0.041 4.380 4.340 -0.000 0.000 0.209 358 Q C -0.423 175.500 176.000 -0.127 0.000 0.965 358 Q CA 0.603 56.361 55.803 -0.074 0.000 0.910 358 Q CB 0.140 28.832 28.738 -0.077 0.000 0.980 358 Q HN 0.592 nan 8.270 nan 0.000 0.491 359 N N 2.815 121.451 118.700 -0.106 0.000 2.482 359 N HA 0.034 4.773 4.740 -0.000 0.000 0.242 359 N C -0.081 175.443 175.510 0.022 0.000 1.100 359 N CA 0.156 53.155 53.050 -0.085 0.000 0.946 359 N CB 0.940 39.430 38.487 0.006 0.000 1.227 359 N HN 0.141 nan 8.380 nan 0.000 0.508 360 T N -0.350 114.230 114.554 0.044 0.000 2.856 360 T HA 0.147 4.497 4.350 -0.000 0.000 0.306 360 T C -1.541 173.233 174.700 0.122 0.000 1.062 360 T CA -1.211 60.934 62.100 0.076 0.000 1.083 360 T CB 1.182 70.095 68.868 0.076 0.000 0.984 360 T HN 0.119 nan 8.240 nan 0.000 0.542 361 P HA -0.062 nan 4.420 nan 0.000 0.216 361 P C 1.229 178.577 177.300 0.081 0.000 1.150 361 P CA 1.002 64.144 63.100 0.070 0.000 0.837 361 P CB 0.054 31.778 31.700 0.039 0.000 0.786 362 E N -1.744 118.505 120.200 0.083 0.000 2.106 362 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 362 E C 1.957 178.613 176.600 0.094 0.000 0.984 362 E CA 0.940 57.380 56.400 0.068 0.000 0.806 362 E CB -1.239 28.496 29.700 0.057 0.000 0.750 362 E HN 0.360 nan 8.360 nan 0.000 0.458 363 Y N 0.748 121.063 120.300 0.026 0.000 2.145 363 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 363 Y C 1.924 177.864 175.900 0.066 0.000 1.145 363 Y CA 1.609 59.731 58.100 0.036 0.000 1.148 363 Y CB -0.076 38.414 38.460 0.049 0.000 0.981 363 Y HN -0.041 nan 8.280 nan 0.000 0.507 364 M N 0.407 120.141 119.600 0.223 0.000 2.080 364 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 364 M C 1.983 178.345 176.300 0.103 0.000 1.068 364 M CA 1.650 57.084 55.300 0.224 0.000 1.109 364 M CB -1.185 31.540 32.600 0.209 0.000 1.342 364 M HN 0.333 nan 8.290 nan 0.000 0.405 365 E N 0.187 120.404 120.200 0.028 0.000 2.072 365 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 365 E C 2.013 178.554 176.600 -0.098 0.000 0.985 365 E CA 1.086 57.466 56.400 -0.033 0.000 0.801 365 E CB -0.335 29.343 29.700 -0.037 0.000 0.750 365 E HN 0.345 nan 8.360 nan 0.000 0.452 366 K N 1.049 121.375 120.400 -0.123 0.000 2.026 366 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 366 K C 1.967 178.415 176.600 -0.254 0.000 1.048 366 K CA 0.833 57.021 56.287 -0.165 0.000 0.929 366 K CB -0.273 32.141 32.500 -0.144 0.000 0.713 366 K HN -0.014 nan 8.250 nan 0.000 0.439 367 I N 1.623 121.947 120.570 -0.410 0.000 2.179 367 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 367 I C 2.314 178.154 176.117 -0.462 0.000 1.088 367 I CA 1.469 62.409 61.300 -0.600 0.000 1.357 367 I CB -1.193 36.149 38.000 -1.097 0.000 1.051 367 I HN 0.358 nan 8.210 nan 0.000 0.409 368 K N 1.030 121.288 120.400 -0.236 0.000 2.063 368 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 368 K C 2.058 178.635 176.600 -0.037 0.000 1.048 368 K CA 1.565 57.855 56.287 0.005 0.000 0.928 368 K CB -0.018 32.540 32.500 0.096 0.000 0.713 368 K HN 0.418 nan 8.250 nan 0.000 0.442 369 Q N -0.056 119.661 119.800 -0.138 0.000 2.124 369 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 369 Q C 2.252 178.234 176.000 -0.031 0.000 0.977 369 Q CA 1.321 57.058 55.803 -0.111 0.000 0.850 369 Q CB -0.040 28.619 28.738 -0.132 0.000 0.901 369 Q HN 0.305 nan 8.270 nan 0.000 0.429 370 R N 0.351 120.797 120.500 -0.090 0.000 2.091 370 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 370 R C 2.332 178.605 176.300 -0.045 0.000 1.136 370 R CA 1.084 57.135 56.100 -0.083 0.000 0.959 370 R CB -0.341 29.872 30.300 -0.144 0.000 0.856 370 R HN 0.268 nan 8.270 nan 0.000 0.437 371 L N -0.586 120.610 121.223 -0.045 0.000 2.056 371 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 371 L C 2.223 179.132 176.870 0.065 0.000 1.078 371 L CA 1.146 55.981 54.840 -0.009 0.000 0.749 371 L CB -0.460 41.592 42.059 -0.013 0.000 0.901 371 L HN 0.078 nan 8.230 nan 0.000 0.433 372 F N 0.875 120.774 119.950 -0.085 0.000 2.161 372 F HA -0.215 4.311 4.527 -0.000 0.000 0.300 372 F C 2.534 178.280 175.800 -0.090 0.000 1.089 372 F CA 1.371 59.327 58.000 -0.073 0.000 1.282 372 F CB -0.452 38.517 39.000 -0.052 0.000 1.010 372 F HN 0.111 nan 8.300 nan 0.000 0.485 373 E N -0.215 120.034 120.200 0.083 0.000 2.085 373 E HA -0.222 4.127 4.350 -0.000 0.000 0.194 373 E C 1.958 178.505 176.600 -0.089 0.000 0.994 373 E CA 1.291 57.685 56.400 -0.009 0.000 0.801 373 E CB -0.214 29.480 29.700 -0.010 0.000 0.743 373 E HN 0.347 nan 8.360 nan 0.000 0.453 374 N N 0.636 119.296 118.700 -0.067 0.000 2.166 374 N HA -0.121 4.618 4.740 -0.000 0.000 0.186 374 N C 1.890 177.257 175.510 -0.239 0.000 1.019 374 N CA 0.825 53.823 53.050 -0.086 0.000 0.856 374 N CB -0.209 38.315 38.487 0.062 0.000 0.993 374 N HN 0.159 nan 8.380 nan 0.000 0.426 375 L N 0.715 121.810 121.223 -0.214 0.000 2.141 375 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 375 L C 2.183 178.888 176.870 -0.275 0.000 1.094 375 L CA 0.809 55.484 54.840 -0.275 0.000 0.763 375 L CB -0.164 41.692 42.059 -0.338 0.000 0.908 375 L HN 0.091 nan 8.230 nan 0.000 0.437 376 R N -0.632 119.726 120.500 -0.236 0.000 2.237 376 R HA -0.067 4.273 4.340 -0.000 0.000 0.219 376 R C 1.870 178.019 176.300 -0.252 0.000 1.080 376 R CA 0.736 56.719 56.100 -0.195 0.000 0.995 376 R CB -0.111 30.115 30.300 -0.124 0.000 0.875 376 R HN 0.296 nan 8.270 nan 0.000 0.462 377 M N 0.510 119.861 119.600 -0.415 0.000 2.630 377 M HA 0.046 4.525 4.480 -0.000 0.000 0.254 377 M C 0.925 176.971 176.300 -0.425 0.000 1.092 377 M CA 0.755 55.710 55.300 -0.574 0.000 1.087 377 M CB -0.493 31.308 32.600 -1.331 0.000 1.453 377 M HN 0.080 nan 8.290 nan 0.000 0.509 378 L N 0.000 121.032 121.223 -0.318 0.000 2.949 378 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 378 L CA 0.000 54.734 54.840 -0.177 0.000 0.813 378 L CB 0.000 41.959 42.059 -0.167 0.000 0.961 378 L HN 0.000 nan 8.230 nan 0.000 0.502