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 3oy9_1_A DATA FIRST_RESID 8 DATA SEQUENCE LDAELDQLLQ GHYIKGYPKQ YTYFLEDGKV KVSRPEGVKI IPPQSDRQKI DATA SEQUENCE VLQAHNLAHT GREATLLKIA NLYWWPNMRK DVVKQLGRCQ QCLITNASNK DATA SEQUENCE ASGPILRPDR PQKPFDKFFI DYIGPLPPSQ GYLYVLVVVD GMTGFTWLYP DATA SEQUENCE TKAPSTSATV KSLNVLTSIA IPKVIHSDQG AAFTSSTFAE WAKERGIHLE DATA SEQUENCE FSTPYHPQSS GKVERKNSDI KRLLTKLLVG RPTKWYDLLP VVQLALNNTY DATA SEQUENCE SPVLKYTPHQ LLFGIDSNTP FANQDTLDLT REEELSLLQE IRTSLYHPST DATA SEQUENCE PPASSRSWSP VVGQLVQERV ARPASLRPRW HKPSTVLKVL NPRTVVILDH DATA SEQUENCE LGNNRTVSID NLKPTSHQ 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.829 176.870 -0.069 0.000 1.165 8 L CA 0.000 54.792 54.840 -0.080 0.000 0.813 8 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 9 D N 0.282 120.647 120.400 -0.058 0.000 2.178 9 D HA 0.054 4.694 4.640 0.001 0.000 0.201 9 D C 2.103 178.371 176.300 -0.053 0.000 0.980 9 D CA 1.834 55.804 54.000 -0.049 0.000 0.842 9 D CB -0.035 40.743 40.800 -0.037 0.000 0.948 9 D HN 0.924 nan 8.370 nan 0.000 0.472 10 A N 1.279 124.066 122.820 -0.054 0.000 1.835 10 A HA -0.192 4.128 4.320 0.001 0.000 0.215 10 A C 2.440 179.979 177.584 -0.074 0.000 1.199 10 A CA 2.847 54.851 52.037 -0.055 0.000 0.615 10 A CB -1.150 17.822 19.000 -0.048 0.000 0.838 10 A HN 0.292 nan 8.150 nan 0.000 0.444 11 E N -0.713 119.435 120.200 -0.086 0.000 2.085 11 E HA -0.131 4.220 4.350 0.001 0.000 0.194 11 E C 1.813 178.293 176.600 -0.200 0.000 0.994 11 E CA 1.676 58.001 56.400 -0.124 0.000 0.801 11 E CB -0.834 28.809 29.700 -0.095 0.000 0.743 11 E HN 0.405 nan 8.360 nan 0.000 0.453 12 L N 1.307 122.426 121.223 -0.174 0.000 2.275 12 L HA -0.040 4.300 4.340 0.001 0.000 0.215 12 L C 2.166 178.945 176.870 -0.152 0.000 1.119 12 L CA 1.646 56.366 54.840 -0.199 0.000 0.790 12 L CB -0.173 41.817 42.059 -0.114 0.000 0.919 12 L HN 0.350 nan 8.230 nan 0.000 0.443 13 D N -0.646 119.692 120.400 -0.103 0.000 2.084 13 D HA -0.187 4.453 4.640 0.001 0.000 0.196 13 D C 2.039 178.304 176.300 -0.057 0.000 0.985 13 D CA 0.920 54.883 54.000 -0.061 0.000 0.826 13 D CB 0.223 40.999 40.800 -0.040 0.000 0.978 13 D HN 0.242 nan 8.370 nan 0.000 0.456 14 Q N -0.049 119.709 119.800 -0.069 0.000 2.308 14 Q HA -0.148 4.193 4.340 0.001 0.000 0.209 14 Q C 1.956 177.927 176.000 -0.048 0.000 0.985 14 Q CA 0.680 56.462 55.803 -0.036 0.000 0.881 14 Q CB -0.127 28.575 28.738 -0.059 0.000 0.917 14 Q HN 0.236 nan 8.270 nan 0.000 0.443 15 L N -0.952 120.177 121.223 -0.157 0.000 2.127 15 L HA -0.014 4.326 4.340 0.001 0.000 0.203 15 L C 1.635 178.440 176.870 -0.108 0.000 1.080 15 L CA 1.206 55.899 54.840 -0.246 0.000 0.768 15 L CB -0.121 41.627 42.059 -0.518 0.000 0.924 15 L HN 0.232 nan 8.230 nan 0.000 0.444 16 L N -0.275 120.917 121.223 -0.052 0.000 2.131 16 L HA -0.219 4.121 4.340 0.001 0.000 0.210 16 L C 2.440 179.340 176.870 0.049 0.000 1.092 16 L CA 1.553 56.413 54.840 0.033 0.000 0.759 16 L CB -0.535 41.545 42.059 0.035 0.000 0.903 16 L HN 0.544 nan 8.230 nan 0.000 0.435 17 Q N -0.278 119.542 119.800 0.033 0.000 2.482 17 Q HA 0.035 4.376 4.340 0.001 0.000 0.209 17 Q C 1.272 177.261 176.000 -0.017 0.000 0.961 17 Q CA 0.782 56.606 55.803 0.035 0.000 0.945 17 Q CB 0.166 28.948 28.738 0.073 0.000 1.012 17 Q HN 0.391 nan 8.270 nan 0.000 0.515 18 G N 0.397 109.194 108.800 -0.004 0.000 2.175 18 G HA2 -0.217 3.743 3.960 0.001 0.000 0.244 18 G HA3 -0.217 3.743 3.960 0.001 0.000 0.244 18 G C -0.176 174.681 174.900 -0.073 0.000 0.982 18 G CA 0.053 45.138 45.100 -0.024 0.000 0.641 18 G HN 0.529 nan 8.290 nan 0.000 0.527 19 H N -0.900 118.194 119.070 0.040 0.000 2.607 19 H HA 0.394 4.950 4.556 0.001 0.000 0.367 19 H C 0.015 175.386 175.328 0.072 0.000 1.181 19 H CA 0.085 56.169 56.048 0.061 0.000 1.402 19 H CB 0.888 30.670 29.762 0.033 0.000 1.474 19 H HN 0.231 nan 8.280 nan 0.000 0.596 20 Y N 1.799 122.188 120.300 0.149 0.000 2.327 20 Y HA 0.279 4.830 4.550 0.001 0.000 0.336 20 Y C -0.860 175.082 175.900 0.070 0.000 1.035 20 Y CA -0.573 57.583 58.100 0.093 0.000 1.165 20 Y CB 0.098 38.621 38.460 0.105 0.000 1.181 20 Y HN 0.339 nan 8.280 nan 0.000 0.494 21 I N 6.403 126.586 120.570 -0.645 0.000 2.441 21 I HA 0.250 4.421 4.170 0.001 0.000 0.295 21 I C -0.273 175.368 176.117 -0.795 0.000 0.994 21 I CA -0.882 60.099 61.300 -0.531 0.000 1.144 21 I CB 1.557 39.385 38.000 -0.285 0.000 1.314 21 I HN 0.515 nan 8.210 nan 0.000 0.445 22 K N 4.271 124.418 120.400 -0.421 0.000 2.484 22 K HA 0.246 4.566 4.320 0.001 0.000 0.280 22 K C 1.034 177.633 176.600 -0.002 0.000 1.013 22 K CA 1.296 57.504 56.287 -0.132 0.000 1.029 22 K CB 0.033 32.570 32.500 0.062 0.000 0.902 22 K HN 0.924 nan 8.250 nan 0.000 0.481 23 G N 3.773 112.608 108.800 0.058 0.000 2.397 23 G HA2 -0.265 3.696 3.960 0.001 0.000 0.211 23 G HA3 -0.265 3.696 3.960 0.001 0.000 0.211 23 G C -0.591 174.350 174.900 0.068 0.000 1.077 23 G CA -0.189 44.919 45.100 0.014 0.000 0.649 23 G HN 0.628 nan 8.290 nan 0.000 0.511 24 Y N 3.117 123.493 120.300 0.126 0.000 2.477 24 Y HA 0.513 5.064 4.550 0.001 0.000 0.349 24 Y C -1.948 174.158 175.900 0.345 0.000 0.977 24 Y CA -2.002 56.270 58.100 0.287 0.000 1.214 24 Y CB 0.990 39.459 38.460 0.014 0.000 1.124 24 Y HN 0.047 nan 8.280 nan 0.000 0.521 25 P HA 0.047 nan 4.420 nan 0.000 0.265 25 P C 0.648 178.263 177.300 0.524 0.000 1.193 25 P CA 0.144 63.543 63.100 0.497 0.000 0.765 25 P CB 0.832 32.792 31.700 0.433 0.000 0.823 26 K N 2.825 123.478 120.400 0.421 0.000 2.296 26 K HA -0.153 4.168 4.320 0.001 0.000 0.200 26 K C 1.687 178.391 176.600 0.174 0.000 1.048 26 K CA 1.692 58.196 56.287 0.363 0.000 0.966 26 K CB -1.189 31.478 32.500 0.278 0.000 0.754 26 K HN 0.794 nan 8.250 nan 0.000 0.466 27 Q N -1.488 118.308 119.800 -0.007 0.000 2.488 27 Q HA 0.028 4.368 4.340 0.001 0.000 0.211 27 Q C -0.331 175.463 176.000 -0.343 0.000 0.967 27 Q CA 0.188 55.867 55.803 -0.206 0.000 0.926 27 Q CB -0.415 28.126 28.738 -0.328 0.000 0.992 27 Q HN 0.609 nan 8.270 nan 0.000 0.506 28 Y N 1.385 121.646 120.300 -0.065 0.000 2.419 28 Y HA 0.344 4.894 4.550 0.001 0.000 0.328 28 Y C 0.245 175.932 175.900 -0.355 0.000 1.162 28 Y CA -1.042 56.898 58.100 -0.267 0.000 1.174 28 Y CB 1.677 39.853 38.460 -0.473 0.000 1.228 28 Y HN -0.020 nan 8.280 nan 0.000 0.473 29 T N -0.604 113.878 114.554 -0.121 0.000 2.767 29 T HA 0.536 4.887 4.350 0.001 0.000 0.284 29 T C -1.186 173.448 174.700 -0.109 0.000 0.973 29 T CA -0.731 61.342 62.100 -0.045 0.000 0.996 29 T CB -0.050 68.867 68.868 0.080 0.000 0.927 29 T HN 0.360 nan 8.240 nan 0.000 0.456 30 Y N 3.426 123.833 120.300 0.178 0.000 2.331 30 Y HA 0.600 5.150 4.550 0.001 0.000 0.338 30 Y C 0.002 176.002 175.900 0.166 0.000 0.992 30 Y CA -1.515 56.641 58.100 0.094 0.000 1.121 30 Y CB 0.834 39.322 38.460 0.047 0.000 1.184 30 Y HN 0.807 nan 8.280 nan 0.000 0.469 31 F N 0.764 120.808 119.950 0.157 0.000 2.679 31 F HA 0.825 5.352 4.527 0.001 0.000 0.341 31 F C -1.738 174.116 175.800 0.090 0.000 1.095 31 F CA -1.749 56.311 58.000 0.100 0.000 1.004 31 F CB 1.158 40.194 39.000 0.058 0.000 1.388 31 F HN 0.306 nan 8.300 nan 0.000 0.505 32 L N 1.046 122.445 121.223 0.294 0.000 2.325 32 L HA 0.648 4.989 4.340 0.001 0.000 0.278 32 L C -0.991 176.046 176.870 0.279 0.000 1.023 32 L CA -0.181 54.765 54.840 0.177 0.000 0.811 32 L CB 1.649 43.779 42.059 0.118 0.000 1.249 32 L HN 0.894 nan 8.230 nan 0.000 0.431 33 E N 3.428 123.738 120.200 0.184 0.000 2.422 33 E HA 0.084 4.435 4.350 0.001 0.000 0.289 33 E C -1.129 175.537 176.600 0.110 0.000 0.985 33 E CA -0.449 56.066 56.400 0.192 0.000 0.812 33 E CB 1.200 31.096 29.700 0.327 0.000 1.226 33 E HN 0.816 nan 8.360 nan 0.000 0.419 34 D N 2.387 122.839 120.400 0.087 0.000 2.955 34 D HA -0.244 4.396 4.640 0.001 0.000 0.226 34 D C 0.625 176.956 176.300 0.052 0.000 1.178 34 D CA 1.745 55.782 54.000 0.062 0.000 0.808 34 D CB -0.773 40.062 40.800 0.058 0.000 1.099 34 D HN 0.975 nan 8.370 nan 0.000 0.421 35 G N -0.243 108.589 108.800 0.054 0.000 2.141 35 G HA2 -0.317 3.644 3.960 0.001 0.000 0.242 35 G HA3 -0.317 3.644 3.960 0.001 0.000 0.242 35 G C 0.155 175.080 174.900 0.041 0.000 0.982 35 G CA 0.777 45.903 45.100 0.043 0.000 0.662 35 G HN 0.417 nan 8.290 nan 0.000 0.527 36 K N -0.474 119.953 120.400 0.045 0.000 2.426 36 K HA 0.636 4.957 4.320 0.001 0.000 0.251 36 K C 0.135 176.744 176.600 0.015 0.000 0.941 36 K CA -0.806 55.505 56.287 0.040 0.000 0.808 36 K CB 2.857 35.391 32.500 0.056 0.000 1.265 36 K HN 0.086 nan 8.250 nan 0.000 0.432 37 V N 3.576 123.499 119.914 0.016 0.000 2.521 37 V HA 0.142 4.263 4.120 0.001 0.000 0.286 37 V C 0.032 176.092 176.094 -0.057 0.000 1.034 37 V CA 0.160 62.453 62.300 -0.012 0.000 1.045 37 V CB 0.338 32.175 31.823 0.025 0.000 0.974 37 V HN 0.630 nan 8.190 nan 0.000 0.480 38 K N 3.239 123.474 120.400 -0.275 0.000 2.346 38 K HA 0.892 5.212 4.320 0.001 0.000 0.238 38 K C -1.370 174.958 176.600 -0.455 0.000 1.039 38 K CA -0.892 55.142 56.287 -0.422 0.000 0.861 38 K CB 2.701 34.761 32.500 -0.732 0.000 1.278 38 K HN 0.386 nan 8.250 nan 0.000 0.460 39 V N -0.155 119.551 119.914 -0.347 0.000 3.048 39 V HA 0.327 4.448 4.120 0.001 0.000 0.303 39 V C -1.617 174.343 176.094 -0.223 0.000 1.214 39 V CA -0.451 61.673 62.300 -0.294 0.000 0.984 39 V CB 2.257 33.932 31.823 -0.247 0.000 1.054 39 V HN 0.752 nan 8.190 nan 0.000 0.430 40 S N 6.067 121.671 115.700 -0.160 0.000 2.423 40 S HA 0.655 5.126 4.470 0.001 0.000 0.317 40 S C -0.337 174.113 174.600 -0.251 0.000 1.065 40 S CA -0.577 57.577 58.200 -0.077 0.000 1.111 40 S CB 0.062 63.313 63.200 0.085 0.000 0.968 40 S HN 0.733 nan 8.310 nan 0.000 0.474 41 R N 3.816 124.131 120.500 -0.309 0.000 2.832 41 R HA 0.387 4.727 4.340 0.001 0.000 0.271 41 R C -1.804 174.375 176.300 -0.202 0.000 0.996 41 R CA -2.262 53.560 56.100 -0.463 0.000 0.977 41 R CB 0.835 30.764 30.300 -0.618 0.000 1.168 41 R HN 0.310 nan 8.270 nan 0.000 0.482 42 P HA -0.250 nan 4.420 nan 0.000 0.217 42 P C 0.297 177.568 177.300 -0.048 0.000 1.162 42 P CA 1.611 64.687 63.100 -0.040 0.000 0.901 42 P CB 0.296 31.990 31.700 -0.010 0.000 0.793 43 E N -1.111 119.051 120.200 -0.064 0.000 2.204 43 E HA 0.174 4.524 4.350 0.001 0.000 0.195 43 E C 1.356 177.931 176.600 -0.042 0.000 0.990 43 E CA 1.161 57.536 56.400 -0.043 0.000 0.821 43 E CB -0.574 29.104 29.700 -0.036 0.000 0.750 43 E HN 0.362 nan 8.360 nan 0.000 0.477 44 G N -1.474 107.290 108.800 -0.060 0.000 2.345 44 G HA2 0.164 4.124 3.960 0.001 0.000 0.285 44 G HA3 0.164 4.124 3.960 0.001 0.000 0.285 44 G C -1.574 173.293 174.900 -0.056 0.000 1.297 44 G CA -0.627 44.448 45.100 -0.043 0.000 0.875 44 G HN -0.033 nan 8.290 nan 0.000 0.506 45 V N 2.068 121.969 119.914 -0.022 0.000 2.383 45 V HA 0.557 4.677 4.120 0.001 0.000 0.275 45 V C -0.288 175.788 176.094 -0.029 0.000 1.036 45 V CA -0.468 61.826 62.300 -0.011 0.000 0.889 45 V CB 1.203 33.070 31.823 0.073 0.000 0.985 45 V HN 0.575 nan 8.190 nan 0.000 0.459 46 K N 4.682 125.060 120.400 -0.036 0.000 2.267 46 K HA 0.623 4.943 4.320 0.001 0.000 0.246 46 K C -0.635 175.995 176.600 0.049 0.000 0.954 46 K CA -0.823 55.471 56.287 0.012 0.000 0.824 46 K CB 2.818 35.381 32.500 0.104 0.000 1.167 46 K HN 0.429 nan 8.250 nan 0.000 0.431 47 I N 2.329 122.939 120.570 0.067 0.000 2.529 47 I HA 0.161 4.332 4.170 0.001 0.000 0.284 47 I C 0.353 176.708 176.117 0.397 0.000 1.082 47 I CA -0.250 61.155 61.300 0.174 0.000 1.406 47 I CB 0.426 38.520 38.000 0.156 0.000 1.405 47 I HN 0.282 nan 8.210 nan 0.000 0.548 48 I N 8.650 129.420 120.570 0.333 0.000 2.307 48 I HA 0.260 4.431 4.170 0.001 0.000 0.287 48 I C -2.054 174.216 176.117 0.256 0.000 1.054 48 I CA -1.883 59.657 61.300 0.401 0.000 1.218 48 I CB 0.612 38.867 38.000 0.424 0.000 1.398 48 I HN 0.296 nan 8.210 nan 0.000 0.475 49 P HA 0.219 nan 4.420 nan 0.000 0.274 49 P C -2.591 174.649 177.300 -0.100 0.000 1.237 49 P CA -1.651 61.436 63.100 -0.021 0.000 0.793 49 P CB -0.134 31.408 31.700 -0.263 0.000 0.977 50 P HA 0.003 nan 4.420 nan 0.000 0.268 50 P C 1.097 178.258 177.300 -0.232 0.000 1.205 50 P CA 0.056 63.079 63.100 -0.129 0.000 0.771 50 P CB 0.619 32.260 31.700 -0.098 0.000 0.858 51 Q N 2.357 122.027 119.800 -0.217 0.000 2.242 51 Q HA -0.203 4.138 4.340 0.001 0.000 0.211 51 Q C 1.650 177.487 176.000 -0.271 0.000 0.992 51 Q CA 2.608 58.242 55.803 -0.282 0.000 0.889 51 Q CB -0.345 28.287 28.738 -0.177 0.000 0.913 51 Q HN 0.611 nan 8.270 nan 0.000 0.422 52 S N -1.012 114.570 115.700 -0.197 0.000 2.522 52 S HA -0.054 4.416 4.470 0.001 0.000 0.227 52 S C 0.960 175.452 174.600 -0.181 0.000 0.986 52 S CA 0.855 58.958 58.200 -0.162 0.000 0.929 52 S CB 0.206 63.338 63.200 -0.113 0.000 0.769 52 S HN 0.201 nan 8.310 nan 0.000 0.529 53 D N 1.180 121.438 120.400 -0.237 0.000 2.389 53 D HA 0.235 4.876 4.640 0.001 0.000 0.206 53 D C 2.028 178.128 176.300 -0.333 0.000 1.055 53 D CA 0.145 54.000 54.000 -0.240 0.000 0.856 53 D CB 0.028 40.694 40.800 -0.224 0.000 0.957 53 D HN 0.380 nan 8.370 nan 0.000 0.509 54 R N 0.343 120.560 120.500 -0.471 0.000 2.075 54 R HA -0.079 4.261 4.340 0.001 0.000 0.232 54 R C 2.138 178.225 176.300 -0.356 0.000 1.126 54 R CA 0.912 56.602 56.100 -0.683 0.000 0.963 54 R CB -0.111 29.526 30.300 -1.105 0.000 0.858 54 R HN 0.207 nan 8.270 nan 0.000 0.435 55 Q N 1.375 121.029 119.800 -0.243 0.000 2.096 55 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 55 Q C 2.075 178.015 176.000 -0.100 0.000 0.982 55 Q CA 1.686 57.408 55.803 -0.134 0.000 0.850 55 Q CB 0.029 28.700 28.738 -0.112 0.000 0.901 55 Q HN 0.143 nan 8.270 nan 0.000 0.422 56 K N 0.187 120.517 120.400 -0.116 0.000 2.057 56 K HA -0.157 4.164 4.320 0.001 0.000 0.207 56 K C 2.038 178.601 176.600 -0.062 0.000 1.049 56 K CA 1.465 57.704 56.287 -0.079 0.000 0.931 56 K CB -0.141 32.309 32.500 -0.084 0.000 0.714 56 K HN 0.327 nan 8.250 nan 0.000 0.440 57 I N 0.558 121.067 120.570 -0.100 0.000 2.163 57 I HA -0.266 3.904 4.170 0.001 0.000 0.240 57 I C 2.267 178.406 176.117 0.037 0.000 1.081 57 I CA 0.894 62.158 61.300 -0.060 0.000 1.353 57 I CB -0.243 37.637 38.000 -0.200 0.000 1.054 57 I HN -0.039 nan 8.210 nan 0.000 0.407 58 V N 0.815 120.769 119.914 0.066 0.000 2.332 58 V HA -0.295 3.825 4.120 0.001 0.000 0.248 58 V C 2.446 178.570 176.094 0.051 0.000 1.055 58 V CA 1.708 64.061 62.300 0.089 0.000 1.038 58 V CB -0.594 31.281 31.823 0.087 0.000 0.651 58 V HN 0.338 nan 8.190 nan 0.000 0.450 59 L N -0.275 120.959 121.223 0.019 0.000 2.042 59 L HA -0.229 4.112 4.340 0.001 0.000 0.210 59 L C 2.551 179.434 176.870 0.022 0.000 1.076 59 L CA 1.988 56.841 54.840 0.022 0.000 0.749 59 L CB -0.574 41.484 42.059 -0.003 0.000 0.893 59 L HN 0.344 nan 8.230 nan 0.000 0.432 60 Q N -1.329 118.479 119.800 0.014 0.000 2.119 60 Q HA -0.149 4.191 4.340 0.001 0.000 0.201 60 Q C 2.229 178.232 176.000 0.005 0.000 0.972 60 Q CA 1.431 57.239 55.803 0.007 0.000 0.847 60 Q CB -0.273 28.478 28.738 0.022 0.000 0.903 60 Q HN 0.679 nan 8.270 nan 0.000 0.433 61 A N 0.291 123.132 122.820 0.034 0.000 1.872 61 A HA -0.225 4.096 4.320 0.001 0.000 0.214 61 A C 1.781 179.363 177.584 -0.005 0.000 1.187 61 A CA 1.734 53.790 52.037 0.031 0.000 0.614 61 A CB -0.796 18.243 19.000 0.064 0.000 0.826 61 A HN 0.465 nan 8.150 nan 0.000 0.442 62 H N 0.449 119.472 119.070 -0.079 0.000 2.387 62 H HA -0.092 4.464 4.556 0.001 0.000 0.299 62 H C 1.571 176.746 175.328 -0.254 0.000 1.099 62 H CA 2.050 58.019 56.048 -0.132 0.000 1.315 62 H CB -0.121 29.564 29.762 -0.128 0.000 1.380 62 H HN 0.388 nan 8.280 nan 0.000 0.513 63 N N 0.034 118.526 118.700 -0.346 0.000 2.512 63 N HA -0.050 4.690 4.740 0.001 0.000 0.183 63 N C 1.768 177.083 175.510 -0.325 0.000 1.073 63 N CA 0.580 53.324 53.050 -0.511 0.000 0.911 63 N CB -0.101 38.247 38.487 -0.231 0.000 0.964 63 N HN 0.421 nan 8.380 nan 0.000 0.447 64 L N -0.423 120.677 121.223 -0.205 0.000 2.012 64 L HA -0.107 4.233 4.340 0.001 0.000 0.210 64 L C 1.421 178.234 176.870 -0.096 0.000 1.073 64 L CA 1.555 56.331 54.840 -0.107 0.000 0.748 64 L CB -0.198 41.822 42.059 -0.065 0.000 0.891 64 L HN 0.126 nan 8.230 nan 0.000 0.431 65 A N -3.578 119.159 122.820 -0.140 0.000 2.630 65 A HA 0.181 4.501 4.320 0.001 0.000 0.287 65 A C 0.016 177.562 177.584 -0.063 0.000 1.040 65 A CA -0.414 51.585 52.037 -0.063 0.000 0.971 65 A CB -0.160 18.820 19.000 -0.034 0.000 1.241 65 A HN 0.431 nan 8.150 nan 0.000 0.558 66 H N 1.620 120.470 119.070 -0.366 0.000 2.677 66 H HA -0.146 4.411 4.556 0.001 0.000 0.321 66 H C 0.271 175.422 175.328 -0.296 0.000 1.171 66 H CA 1.309 56.991 56.048 -0.611 0.000 1.139 66 H CB -1.841 27.768 29.762 -0.255 0.000 1.515 66 H HN 0.734 nan 8.280 nan 0.000 0.423 67 T N -2.041 112.398 114.554 -0.193 0.000 2.882 67 T HA 0.534 4.885 4.350 0.001 0.000 0.287 67 T C 1.344 176.152 174.700 0.181 0.000 1.014 67 T CA -0.292 61.824 62.100 0.026 0.000 1.049 67 T CB 2.491 71.360 68.868 0.001 0.000 1.001 67 T HN 0.390 nan 8.240 nan 0.000 0.525 68 G N 0.061 108.938 108.800 0.128 0.000 2.504 68 G HA2 0.246 4.207 3.960 0.001 0.000 0.257 68 G HA3 0.246 4.207 3.960 0.001 0.000 0.257 68 G C 0.863 175.803 174.900 0.067 0.000 1.451 68 G CA -0.651 44.519 45.100 0.117 0.000 1.059 68 G HN 0.799 nan 8.290 nan 0.000 0.550 69 R N -0.484 120.040 120.500 0.040 0.000 2.096 69 R HA -0.099 4.241 4.340 0.001 0.000 0.229 69 R C 2.357 178.655 176.300 -0.004 0.000 1.134 69 R CA 1.894 57.994 56.100 -0.000 0.000 0.917 69 R CB -0.517 29.789 30.300 0.010 0.000 0.832 69 R HN 0.518 nan 8.270 nan 0.000 0.430 70 E N 0.261 120.463 120.200 0.004 0.000 2.077 70 E HA -0.152 4.199 4.350 0.001 0.000 0.193 70 E C 1.848 178.446 176.600 -0.003 0.000 0.989 70 E CA 1.384 57.781 56.400 -0.005 0.000 0.800 70 E CB -0.364 29.336 29.700 0.000 0.000 0.746 70 E HN 0.490 nan 8.360 nan 0.000 0.452 71 A N 0.716 123.542 122.820 0.010 0.000 1.969 71 A HA -0.108 4.212 4.320 0.001 0.000 0.218 71 A C 2.380 179.968 177.584 0.008 0.000 1.169 71 A CA 1.808 53.850 52.037 0.009 0.000 0.635 71 A CB -0.608 18.400 19.000 0.014 0.000 0.810 71 A HN 0.237 nan 8.150 nan 0.000 0.445 72 T N 0.054 114.620 114.554 0.019 0.000 2.732 72 T HA -0.085 4.266 4.350 0.001 0.000 0.261 72 T C 1.864 176.560 174.700 -0.005 0.000 1.040 72 T CA 1.273 63.387 62.100 0.024 0.000 1.145 72 T CB -0.458 68.448 68.868 0.063 0.000 0.866 72 T HN 0.317 nan 8.240 nan 0.000 0.427 73 L N 1.105 122.309 121.223 -0.031 0.000 1.997 73 L HA -0.139 4.201 4.340 0.001 0.000 0.216 73 L C 2.232 179.070 176.870 -0.052 0.000 1.074 73 L CA 1.718 56.517 54.840 -0.070 0.000 0.763 73 L CB -0.639 41.369 42.059 -0.085 0.000 0.890 73 L HN 0.225 nan 8.230 nan 0.000 0.434 74 L N -0.742 120.463 121.223 -0.030 0.000 2.127 74 L HA -0.244 4.097 4.340 0.001 0.000 0.211 74 L C 2.663 179.527 176.870 -0.010 0.000 1.089 74 L CA 1.170 55.998 54.840 -0.020 0.000 0.757 74 L CB -0.702 41.349 42.059 -0.012 0.000 0.899 74 L HN 0.245 nan 8.230 nan 0.000 0.434 75 K N 0.200 120.600 120.400 -0.001 0.000 2.001 75 K HA -0.094 4.227 4.320 0.001 0.000 0.208 75 K C 2.088 178.711 176.600 0.038 0.000 1.048 75 K CA 1.498 57.794 56.287 0.016 0.000 0.932 75 K CB -0.426 32.087 32.500 0.022 0.000 0.715 75 K HN 0.290 nan 8.250 nan 0.000 0.437 76 I N 1.222 121.818 120.570 0.044 0.000 2.163 76 I HA -0.281 3.890 4.170 0.001 0.000 0.243 76 I C 2.370 178.531 176.117 0.073 0.000 1.085 76 I CA 1.408 62.770 61.300 0.102 0.000 1.347 76 I CB -0.469 37.530 38.000 -0.001 0.000 1.044 76 I HN 0.062 nan 8.210 nan 0.000 0.408 77 A N 0.676 123.484 122.820 -0.020 0.000 2.125 77 A HA -0.188 4.132 4.320 0.001 0.000 0.219 77 A C 1.933 179.512 177.584 -0.009 0.000 1.156 77 A CA 1.496 53.521 52.037 -0.021 0.000 0.671 77 A CB -0.687 18.291 19.000 -0.037 0.000 0.794 77 A HN 0.439 nan 8.150 nan 0.000 0.459 78 N N -0.209 118.480 118.700 -0.017 0.000 2.223 78 N HA -0.077 4.664 4.740 0.001 0.000 0.185 78 N C 1.373 176.824 175.510 -0.098 0.000 1.016 78 N CA 1.398 54.424 53.050 -0.041 0.000 0.863 78 N CB -0.170 38.298 38.487 -0.031 0.000 0.983 78 N HN 0.570 nan 8.380 nan 0.000 0.429 79 L N -2.283 118.832 121.223 -0.179 0.000 2.653 79 L HA 0.212 4.553 4.340 0.001 0.000 0.230 79 L C -0.333 176.219 176.870 -0.530 0.000 1.055 79 L CA 0.106 54.671 54.840 -0.457 0.000 0.880 79 L CB 0.277 41.850 42.059 -0.810 0.000 1.195 79 L HN -0.042 nan 8.230 nan 0.000 0.492 80 Y N -1.798 118.551 120.300 0.081 0.000 2.598 80 Y HA 0.446 4.997 4.550 0.001 0.000 0.340 80 Y C -0.888 175.091 175.900 0.132 0.000 1.038 80 Y CA -1.127 57.060 58.100 0.147 0.000 1.100 80 Y CB 1.591 40.200 38.460 0.249 0.000 1.281 80 Y HN -0.110 nan 8.280 nan 0.000 0.488 81 W N 2.745 124.178 121.300 0.221 0.000 3.138 81 W HA 0.600 5.261 4.660 0.001 0.000 0.331 81 W C -2.227 174.443 176.519 0.253 0.000 1.166 81 W CA -1.155 56.221 57.345 0.052 0.000 1.212 81 W CB 1.414 30.875 29.460 0.001 0.000 1.399 81 W HN 0.632 nan 8.180 nan 0.000 0.514 82 W N 4.229 124.879 121.300 -1.083 0.000 3.005 82 W HA 0.762 5.422 4.660 0.001 0.000 0.343 82 W C -3.104 172.375 176.519 -1.733 0.000 1.243 82 W CA -2.522 54.123 57.345 -1.167 0.000 1.186 82 W CB -0.017 29.174 29.460 -0.447 0.000 1.453 82 W HN 0.157 nan 8.180 nan 0.000 0.575 83 P HA 0.117 nan 4.420 nan 0.000 0.271 83 P C -0.458 176.628 177.300 -0.356 0.000 1.216 83 P CA 0.333 63.043 63.100 -0.650 0.000 0.771 83 P CB 0.463 31.890 31.700 -0.456 0.000 0.864 84 N N 1.646 120.158 118.700 -0.313 0.000 2.696 84 N HA -0.195 4.545 4.740 0.001 0.000 0.256 84 N C 0.697 176.071 175.510 -0.227 0.000 1.031 84 N CA 0.646 53.580 53.050 -0.193 0.000 0.730 84 N CB -1.291 37.144 38.487 -0.087 0.000 0.894 84 N HN 0.545 nan 8.380 nan 0.000 0.544 85 M N 0.070 119.376 119.600 -0.491 0.000 2.117 85 M HA -0.142 4.338 4.480 0.001 0.000 0.262 85 M C 2.176 178.317 176.300 -0.264 0.000 1.065 85 M CA 1.782 56.712 55.300 -0.618 0.000 1.114 85 M CB -0.126 31.864 32.600 -1.017 0.000 1.361 85 M HN 0.237 nan 8.290 nan 0.000 0.408 86 R N 0.218 120.591 120.500 -0.212 0.000 2.105 86 R HA -0.140 4.201 4.340 0.001 0.000 0.239 86 R C 2.129 178.380 176.300 -0.081 0.000 1.135 86 R CA 1.345 57.369 56.100 -0.127 0.000 0.967 86 R CB -0.272 29.971 30.300 -0.096 0.000 0.861 86 R HN 0.366 nan 8.270 nan 0.000 0.442 87 K N 0.249 120.611 120.400 -0.064 0.000 2.103 87 K HA -0.159 4.161 4.320 0.001 0.000 0.207 87 K C 1.453 178.042 176.600 -0.019 0.000 1.048 87 K CA 1.523 57.790 56.287 -0.034 0.000 0.930 87 K CB -0.016 32.471 32.500 -0.022 0.000 0.716 87 K HN 0.221 nan 8.250 nan 0.000 0.444 88 D N 0.172 120.587 120.400 0.025 0.000 2.183 88 D HA -0.089 4.551 4.640 0.001 0.000 0.203 88 D C 1.965 178.265 176.300 -0.001 0.000 0.969 88 D CA 0.741 54.773 54.000 0.054 0.000 0.842 88 D CB 0.043 40.973 40.800 0.217 0.000 0.957 88 D HN -0.052 nan 8.370 nan 0.000 0.484 89 V N 1.003 120.899 119.914 -0.030 0.000 2.295 89 V HA -0.196 3.924 4.120 0.001 0.000 0.246 89 V C 2.688 178.683 176.094 -0.166 0.000 1.049 89 V CA 1.055 63.305 62.300 -0.084 0.000 1.024 89 V CB -0.380 31.390 31.823 -0.089 0.000 0.648 89 V HN 0.040 nan 8.190 nan 0.000 0.447 90 V N -0.155 119.664 119.914 -0.159 0.000 2.490 90 V HA -0.270 3.850 4.120 0.001 0.000 0.250 90 V C 2.427 178.392 176.094 -0.216 0.000 1.061 90 V CA 2.118 64.277 62.300 -0.234 0.000 1.064 90 V CB -0.688 31.072 31.823 -0.106 0.000 0.670 90 V HN 0.545 nan 8.190 nan 0.000 0.461 91 K N -0.423 119.902 120.400 -0.124 0.000 2.063 91 K HA -0.239 4.082 4.320 0.001 0.000 0.208 91 K C 2.294 178.817 176.600 -0.128 0.000 1.048 91 K CA 1.539 57.769 56.287 -0.095 0.000 0.928 91 K CB -0.045 32.419 32.500 -0.060 0.000 0.713 91 K HN 0.377 nan 8.250 nan 0.000 0.442 92 Q N 0.565 120.269 119.800 -0.160 0.000 2.123 92 Q HA -0.071 4.270 4.340 0.001 0.000 0.199 92 Q C 2.259 178.086 176.000 -0.289 0.000 0.966 92 Q CA 0.984 56.673 55.803 -0.191 0.000 0.845 92 Q CB -0.183 28.447 28.738 -0.181 0.000 0.907 92 Q HN 0.390 nan 8.270 nan 0.000 0.439 93 L N -0.385 120.591 121.223 -0.411 0.000 2.083 93 L HA -0.114 4.226 4.340 0.001 0.000 0.209 93 L C 2.204 178.920 176.870 -0.257 0.000 1.083 93 L CA 1.291 55.833 54.840 -0.496 0.000 0.752 93 L CB -0.894 40.666 42.059 -0.832 0.000 0.899 93 L HN 0.251 nan 8.230 nan 0.000 0.433 94 G N -0.424 108.255 108.800 -0.202 0.000 2.559 94 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 94 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 94 G C 1.624 176.520 174.900 -0.008 0.000 1.126 94 G CA 0.105 45.216 45.100 0.020 0.000 0.778 94 G HN 0.323 nan 8.290 nan 0.000 0.543 95 R N -1.158 119.311 120.500 -0.052 0.000 2.476 95 R HA 0.151 4.492 4.340 0.001 0.000 0.276 95 R C -0.173 176.116 176.300 -0.018 0.000 0.941 95 R CA -0.315 55.767 56.100 -0.030 0.000 1.088 95 R CB 0.209 30.486 30.300 -0.038 0.000 1.216 95 R HN 0.223 nan 8.270 nan 0.000 0.533 96 C N 2.355 121.637 119.300 -0.030 0.000 2.289 96 C HA 0.153 4.614 4.460 0.001 0.000 0.340 96 C C 1.826 176.853 174.990 0.061 0.000 1.152 96 C CA -0.404 58.631 59.018 0.029 0.000 1.650 96 C CB 0.295 28.045 27.740 0.016 0.000 2.203 96 C HN 0.452 nan 8.230 nan 0.000 0.511 97 Q N 2.545 122.379 119.800 0.057 0.000 2.077 97 Q HA -0.221 4.120 4.340 0.001 0.000 0.206 97 Q C 2.088 178.112 176.000 0.041 0.000 0.989 97 Q CA 2.330 58.159 55.803 0.044 0.000 0.853 97 Q CB -0.053 28.710 28.738 0.041 0.000 0.907 97 Q HN 0.908 nan 8.270 nan 0.000 0.418 98 Q N -1.474 118.348 119.800 0.036 0.000 2.096 98 Q HA -0.165 4.175 4.340 0.001 0.000 0.204 98 Q C 2.349 178.339 176.000 -0.016 0.000 0.982 98 Q CA 1.636 57.417 55.803 -0.037 0.000 0.850 98 Q CB -0.228 28.401 28.738 -0.181 0.000 0.901 98 Q HN 0.445 nan 8.270 nan 0.000 0.422 99 C N 0.065 119.412 119.300 0.077 0.000 2.466 99 C HA -0.045 4.415 4.460 0.001 0.000 0.278 99 C C 2.472 177.498 174.990 0.059 0.000 1.288 99 C CA 0.350 59.435 59.018 0.112 0.000 1.722 99 C CB -0.828 27.052 27.740 0.234 0.000 2.017 99 C HN 0.496 nan 8.230 nan 0.000 0.488 100 L N 1.242 122.490 121.223 0.041 0.000 2.083 100 L HA -0.124 4.217 4.340 0.001 0.000 0.209 100 L C 2.273 179.131 176.870 -0.020 0.000 1.083 100 L CA 1.691 56.526 54.840 -0.010 0.000 0.752 100 L CB -0.505 41.550 42.059 -0.007 0.000 0.899 100 L HN 0.510 nan 8.230 nan 0.000 0.433 101 I N -5.404 115.191 120.570 0.041 0.000 3.860 101 I HA 0.037 4.207 4.170 0.001 0.000 0.319 101 I C 1.607 177.832 176.117 0.181 0.000 1.279 101 I CA 0.444 61.812 61.300 0.114 0.000 1.220 101 I CB 0.037 38.092 38.000 0.092 0.000 1.027 101 I HN -0.051 nan 8.210 nan 0.000 0.428 102 T N 0.139 114.764 114.554 0.117 0.000 3.038 102 T HA 0.200 4.551 4.350 0.001 0.000 0.244 102 T C 0.809 175.604 174.700 0.158 0.000 1.016 102 T CA -0.142 62.035 62.100 0.128 0.000 1.098 102 T CB -0.174 68.718 68.868 0.040 0.000 0.954 102 T HN 0.218 nan 8.240 nan 0.000 0.469 103 N N 2.013 120.766 118.700 0.087 0.000 2.381 103 N HA 0.410 5.151 4.740 0.001 0.000 0.241 103 N C -0.052 175.504 175.510 0.077 0.000 1.279 103 N CA 0.014 53.101 53.050 0.061 0.000 0.896 103 N CB 0.317 38.814 38.487 0.017 0.000 1.118 103 N HN 0.401 nan 8.380 nan 0.000 0.438 104 A N 0.283 123.155 122.820 0.088 0.000 2.271 104 A HA 0.393 4.714 4.320 0.001 0.000 0.288 104 A C 0.594 178.148 177.584 -0.051 0.000 1.094 104 A CA -0.423 51.695 52.037 0.136 0.000 0.828 104 A CB 0.365 19.450 19.000 0.141 0.000 1.091 104 A HN 0.541 nan 8.150 nan 0.000 0.493 105 S N -0.444 115.213 115.700 -0.072 0.000 2.603 105 S HA 0.286 4.756 4.470 0.001 0.000 0.268 105 S C 0.586 175.149 174.600 -0.062 0.000 1.317 105 S CA 0.011 58.109 58.200 -0.170 0.000 1.012 105 S CB 0.090 63.177 63.200 -0.188 0.000 0.926 105 S HN 0.862 nan 8.310 nan 0.000 0.539 106 N N 1.125 119.772 118.700 -0.087 0.000 2.241 106 N HA 0.233 4.974 4.740 0.001 0.000 0.238 106 N C -1.374 174.126 175.510 -0.016 0.000 1.244 106 N CA -0.428 52.604 53.050 -0.030 0.000 0.880 106 N CB 0.059 38.528 38.487 -0.030 0.000 1.179 106 N HN 0.248 nan 8.380 nan 0.000 0.513 107 K N 0.664 121.045 120.400 -0.031 0.000 2.274 107 K HA 0.725 5.045 4.320 0.001 0.000 0.262 107 K C -0.397 176.318 176.600 0.192 0.000 0.961 107 K CA -0.561 55.758 56.287 0.054 0.000 0.833 107 K CB 2.088 34.580 32.500 -0.014 0.000 1.102 107 K HN 0.259 nan 8.250 nan 0.000 0.436 108 A N 1.901 124.848 122.820 0.211 0.000 2.351 108 A HA 0.297 4.617 4.320 0.001 0.000 0.257 108 A C -0.055 177.701 177.584 0.287 0.000 1.087 108 A CA -0.321 51.848 52.037 0.219 0.000 0.798 108 A CB 0.333 19.411 19.000 0.130 0.000 1.033 108 A HN 0.670 nan 8.150 nan 0.000 0.488 109 S N 0.322 116.140 115.700 0.196 0.000 2.563 109 S HA 0.331 4.801 4.470 0.001 0.000 0.284 109 S C 1.100 175.650 174.600 -0.083 0.000 1.331 109 S CA 0.305 58.495 58.200 -0.016 0.000 1.047 109 S CB 0.383 63.604 63.200 0.034 0.000 0.859 109 S HN 1.153 nan 8.310 nan 0.000 0.514 110 G N 3.170 111.834 108.800 -0.227 0.000 2.690 110 G HA2 0.290 4.250 3.960 0.001 0.000 0.239 110 G HA3 0.290 4.250 3.960 0.001 0.000 0.239 110 G C -2.524 172.333 174.900 -0.072 0.000 1.233 110 G CA -0.998 44.016 45.100 -0.142 0.000 0.847 110 G HN 0.467 nan 8.290 nan 0.000 0.588 111 P HA 0.107 nan 4.420 nan 0.000 0.268 111 P C 0.716 178.009 177.300 -0.011 0.000 1.205 111 P CA -0.064 63.028 63.100 -0.014 0.000 0.771 111 P CB 0.623 32.318 31.700 -0.008 0.000 0.858 112 I N 0.206 120.780 120.570 0.007 0.000 2.948 112 I HA 0.088 4.258 4.170 0.001 0.000 0.290 112 I C 0.063 176.189 176.117 0.015 0.000 1.226 112 I CA -0.254 61.057 61.300 0.019 0.000 1.413 112 I CB -0.201 37.817 38.000 0.030 0.000 1.352 112 I HN 0.140 nan 8.210 nan 0.000 0.597 113 L N 4.941 126.179 121.223 0.026 0.000 2.395 113 L HA 0.383 4.724 4.340 0.001 0.000 0.269 113 L C 0.258 177.150 176.870 0.037 0.000 1.133 113 L CA -0.604 54.255 54.840 0.031 0.000 0.812 113 L CB 0.508 42.590 42.059 0.038 0.000 1.125 113 L HN 0.602 nan 8.230 nan 0.000 0.452 114 R N 2.359 122.891 120.500 0.052 0.000 2.505 114 R HA 0.351 4.692 4.340 0.001 0.000 0.284 114 R C -2.442 173.965 176.300 0.179 0.000 1.324 114 R CA -2.229 53.911 56.100 0.066 0.000 1.432 114 R CB 0.132 30.424 30.300 -0.013 0.000 1.107 114 R HN 0.293 nan 8.270 nan 0.000 0.587 115 P HA -0.047 nan 4.420 nan 0.000 0.266 115 P C -0.208 177.186 177.300 0.157 0.000 1.193 115 P CA 0.115 63.286 63.100 0.118 0.000 0.770 115 P CB 0.616 32.380 31.700 0.107 0.000 0.836 116 D N 1.422 121.820 120.400 -0.003 0.000 2.472 116 D HA -0.022 4.618 4.640 0.001 0.000 0.237 116 D C 0.722 177.020 176.300 -0.002 0.000 1.141 116 D CA 0.351 54.245 54.000 -0.175 0.000 0.875 116 D CB 0.337 41.036 40.800 -0.167 0.000 1.192 116 D HN 0.241 nan 8.370 nan 0.000 0.450 117 R N 2.676 123.175 120.500 -0.002 0.000 2.489 117 R HA 0.116 4.457 4.340 0.001 0.000 0.287 117 R C -2.158 174.166 176.300 0.040 0.000 1.053 117 R CA -1.100 55.048 56.100 0.081 0.000 1.036 117 R CB 0.170 30.534 30.300 0.107 0.000 0.966 117 R HN 0.138 nan 8.270 nan 0.000 0.432 118 P HA -0.115 nan 4.420 nan 0.000 0.264 118 P C -0.250 177.065 177.300 0.024 0.000 1.173 118 P CA 0.420 63.555 63.100 0.058 0.000 0.761 118 P CB 0.539 32.297 31.700 0.096 0.000 0.794 119 Q N 1.082 120.886 119.800 0.007 0.000 2.172 119 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 119 Q C 0.159 176.155 176.000 -0.007 0.000 0.964 119 Q CA 1.332 57.131 55.803 -0.007 0.000 0.855 119 Q CB 0.108 28.838 28.738 -0.014 0.000 0.918 119 Q HN 0.467 nan 8.270 nan 0.000 0.444 120 K N 0.040 120.441 120.400 0.002 0.000 2.385 120 K HA 0.393 4.713 4.320 0.001 0.000 0.248 120 K C -2.739 173.855 176.600 -0.011 0.000 0.955 120 K CA -2.343 53.944 56.287 -0.000 0.000 0.816 120 K CB 1.906 34.419 32.500 0.020 0.000 1.250 120 K HN -0.251 nan 8.250 nan 0.000 0.434 121 P HA 0.035 nan 4.420 nan 0.000 0.266 121 P C -0.566 176.683 177.300 -0.084 0.000 1.195 121 P CA 0.327 63.296 63.100 -0.218 0.000 0.768 121 P CB 0.067 31.547 31.700 -0.367 0.000 0.838 122 F N -1.000 119.014 119.950 0.106 0.000 2.656 122 F HA -0.272 4.256 4.527 0.001 0.000 0.381 122 F C 1.346 177.052 175.800 -0.157 0.000 0.603 122 F CA 0.802 58.760 58.000 -0.069 0.000 1.335 122 F CB -1.956 36.987 39.000 -0.095 0.000 1.836 122 F HN 0.266 nan 8.300 nan 0.000 0.290 123 D N 0.721 121.149 120.400 0.047 0.000 2.117 123 D HA -0.052 4.588 4.640 0.001 0.000 0.197 123 D C 1.011 177.290 176.300 -0.035 0.000 0.987 123 D CA 1.705 55.706 54.000 0.002 0.000 0.829 123 D CB 0.069 40.879 40.800 0.017 0.000 0.961 123 D HN 0.366 nan 8.370 nan 0.000 0.460 124 K N -0.396 120.009 120.400 0.007 0.000 2.553 124 K HA 0.203 4.524 4.320 0.001 0.000 0.250 124 K C -1.584 175.128 176.600 0.187 0.000 0.953 124 K CA -0.540 55.735 56.287 -0.020 0.000 0.800 124 K CB 1.314 33.781 32.500 -0.056 0.000 1.243 124 K HN -0.291 nan 8.250 nan 0.000 0.435 125 F N 3.239 123.131 119.950 -0.096 0.000 2.422 125 F HA 0.501 5.029 4.527 0.000 0.000 0.333 125 F C -0.229 175.445 175.800 -0.211 0.000 1.095 125 F CA -1.061 56.930 58.000 -0.015 0.000 1.038 125 F CB 0.881 39.901 39.000 0.034 0.000 1.156 125 F HN 0.337 nan 8.300 nan 0.000 0.483 126 F N 4.036 124.097 119.950 0.184 0.000 2.444 126 F HA 0.582 5.110 4.527 0.001 0.000 0.342 126 F C 0.216 176.013 175.800 -0.004 0.000 1.121 126 F CA -0.839 57.202 58.000 0.068 0.000 0.997 126 F CB 1.402 40.402 39.000 -0.000 0.000 1.130 126 F HN 0.255 nan 8.300 nan 0.000 0.454 127 I N -0.307 120.293 120.570 0.051 0.000 2.785 127 I HA 0.904 5.074 4.170 0.001 0.000 0.302 127 I C -1.608 174.415 176.117 -0.156 0.000 1.069 127 I CA -0.649 60.588 61.300 -0.105 0.000 1.045 127 I CB 2.472 40.324 38.000 -0.246 0.000 1.236 127 I HN 0.483 nan 8.210 nan 0.000 0.429 128 D N 1.781 122.134 120.400 -0.079 0.000 2.742 128 D HA 0.406 5.046 4.640 0.001 0.000 0.262 128 D C -2.081 174.246 176.300 0.045 0.000 1.240 128 D CA -0.321 53.740 54.000 0.102 0.000 0.752 128 D CB 1.524 42.394 40.800 0.116 0.000 1.290 128 D HN 0.550 nan 8.370 nan 0.000 0.420 129 Y N 0.660 121.112 120.300 0.253 0.000 2.361 129 Y HA 0.601 5.151 4.550 0.001 0.000 0.332 129 Y C 0.168 176.167 175.900 0.165 0.000 1.101 129 Y CA -0.606 57.616 58.100 0.203 0.000 1.137 129 Y CB 1.449 40.007 38.460 0.164 0.000 1.207 129 Y HN 0.220 nan 8.280 nan 0.000 0.463 130 I N 2.539 123.293 120.570 0.306 0.000 2.392 130 I HA 0.728 4.899 4.170 0.001 0.000 0.295 130 I C 0.399 176.618 176.117 0.169 0.000 0.985 130 I CA -0.093 61.300 61.300 0.155 0.000 1.221 130 I CB 1.438 39.439 38.000 0.003 0.000 1.366 130 I HN 0.808 nan 8.210 nan 0.000 0.467 131 G N 6.095 114.906 108.800 0.017 0.000 2.353 131 G HA2 0.059 4.019 3.960 0.001 0.000 0.424 131 G HA3 0.059 4.019 3.960 0.001 0.000 0.424 131 G C -3.193 171.565 174.900 -0.238 0.000 1.320 131 G CA -1.032 43.892 45.100 -0.293 0.000 0.995 131 G HN 0.424 nan 8.290 nan 0.000 0.580 132 P HA 0.631 nan 4.420 nan 0.000 0.277 132 P C -0.316 176.753 177.300 -0.384 0.000 1.240 132 P CA -0.314 62.317 63.100 -0.783 0.000 0.798 132 P CB 1.082 32.492 31.700 -0.484 0.000 0.979 133 L N 2.150 123.183 121.223 -0.317 0.000 2.303 133 L HA 0.476 4.817 4.340 0.001 0.000 0.266 133 L C -2.201 174.705 176.870 0.061 0.000 1.011 133 L CA -2.747 51.982 54.840 -0.185 0.000 0.818 133 L CB 1.716 43.486 42.059 -0.481 0.000 1.326 133 L HN 0.210 nan 8.230 nan 0.000 0.435 134 P HA 0.047 nan 4.420 nan 0.000 0.262 134 P C -2.512 174.989 177.300 0.334 0.000 1.182 134 P CA -0.810 62.401 63.100 0.186 0.000 0.761 134 P CB -0.509 31.295 31.700 0.174 0.000 0.795 135 P HA -0.023 nan 4.420 nan 0.000 0.261 135 P C -0.054 177.300 177.300 0.090 0.000 1.173 135 P CA 0.866 64.064 63.100 0.163 0.000 0.760 135 P CB 0.299 32.040 31.700 0.068 0.000 0.783 136 S N 3.135 118.807 115.700 -0.046 0.000 2.707 136 S HA 0.139 4.610 4.470 0.001 0.000 0.303 136 S C -0.161 174.267 174.600 -0.287 0.000 1.132 136 S CA -0.403 57.593 58.200 -0.339 0.000 1.046 136 S CB 0.073 62.648 63.200 -1.041 0.000 1.004 136 S HN 0.464 nan 8.310 nan 0.000 0.483 137 Q N 2.604 122.259 119.800 -0.241 0.000 2.437 137 Q HA -0.256 4.084 4.340 0.001 0.000 0.274 137 Q C 0.980 176.885 176.000 -0.158 0.000 1.165 137 Q CA 1.188 56.841 55.803 -0.251 0.000 0.925 137 Q CB -2.082 26.321 28.738 -0.558 0.000 1.327 137 Q HN 1.669 nan 8.270 nan 0.000 0.505 138 G N -1.689 107.034 108.800 -0.129 0.000 2.176 138 G HA2 -0.351 3.609 3.960 0.001 0.000 0.253 138 G HA3 -0.351 3.609 3.960 0.001 0.000 0.253 138 G C -0.175 174.599 174.900 -0.208 0.000 0.979 138 G CA 0.410 45.403 45.100 -0.180 0.000 0.641 138 G HN 0.376 nan 8.290 nan 0.000 0.530 139 Y N -0.615 119.670 120.300 -0.025 0.000 2.310 139 Y HA 0.685 5.236 4.550 0.001 0.000 0.326 139 Y C 1.494 177.602 175.900 0.346 0.000 1.151 139 Y CA -0.419 57.776 58.100 0.158 0.000 1.195 139 Y CB 1.330 39.893 38.460 0.172 0.000 1.210 139 Y HN -0.014 nan 8.280 nan 0.000 0.483 140 L N 1.349 122.919 121.223 0.578 0.000 2.902 140 L HA 0.264 4.604 4.340 0.001 0.000 0.254 140 L C -0.901 176.053 176.870 0.140 0.000 1.115 140 L CA -0.001 55.056 54.840 0.360 0.000 0.947 140 L CB 0.544 42.691 42.059 0.146 0.000 1.369 140 L HN 0.568 nan 8.230 nan 0.000 0.538 141 Y N -1.030 119.521 120.300 0.418 0.000 2.602 141 Y HA 0.596 5.146 4.550 0.000 0.000 0.342 141 Y C -0.317 175.803 175.900 0.367 0.000 1.029 141 Y CA -1.086 57.187 58.100 0.289 0.000 1.080 141 Y CB 2.216 40.819 38.460 0.238 0.000 1.284 141 Y HN -0.471 nan 8.280 nan 0.000 0.485 142 V N 2.854 123.013 119.914 0.409 0.000 2.487 142 V HA 0.292 4.413 4.120 0.001 0.000 0.298 142 V C -0.919 175.327 176.094 0.254 0.000 1.028 142 V CA -0.786 61.690 62.300 0.293 0.000 0.860 142 V CB 1.753 33.613 31.823 0.062 0.000 0.991 142 V HN 0.511 nan 8.190 nan 0.000 0.427 143 L N 6.816 128.130 121.223 0.151 0.000 2.319 143 L HA 0.550 4.890 4.340 0.001 0.000 0.280 143 L C -0.344 176.531 176.870 0.008 0.000 1.099 143 L CA 0.551 55.269 54.840 -0.204 0.000 0.828 143 L CB 1.232 43.184 42.059 -0.177 0.000 1.150 143 L HN 0.468 nan 8.230 nan 0.000 0.442 144 V N 5.968 125.847 119.914 -0.058 0.000 2.448 144 V HA 0.525 4.646 4.120 0.001 0.000 0.295 144 V C -0.452 175.656 176.094 0.023 0.000 1.025 144 V CA -0.693 61.614 62.300 0.011 0.000 0.859 144 V CB 1.720 33.537 31.823 -0.010 0.000 0.988 144 V HN 0.510 nan 8.190 nan 0.000 0.431 145 V N 5.414 125.383 119.914 0.091 0.000 2.444 145 V HA 0.522 4.642 4.120 0.001 0.000 0.294 145 V C -0.381 175.752 176.094 0.065 0.000 1.022 145 V CA -0.575 61.754 62.300 0.049 0.000 0.850 145 V CB 1.968 33.803 31.823 0.020 0.000 0.992 145 V HN 0.604 nan 8.190 nan 0.000 0.426 146 V N 3.418 123.355 119.914 0.039 0.000 2.409 146 V HA 0.340 4.460 4.120 0.001 0.000 0.291 146 V C -0.296 175.882 176.094 0.139 0.000 1.020 146 V CA -0.634 61.707 62.300 0.069 0.000 0.848 146 V CB 1.944 33.802 31.823 0.058 0.000 0.990 146 V HN 0.988 nan 8.190 nan 0.000 0.430 147 D N 3.810 124.296 120.400 0.144 0.000 2.371 147 D HA 0.307 4.948 4.640 0.001 0.000 0.256 147 D C 1.352 177.792 176.300 0.232 0.000 1.193 147 D CA 0.696 54.855 54.000 0.265 0.000 0.881 147 D CB 1.786 42.709 40.800 0.207 0.000 1.143 147 D HN 0.577 nan 8.370 nan 0.000 0.473 148 G N 3.762 112.766 108.800 0.341 0.000 2.408 148 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 148 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 148 G C 1.287 176.280 174.900 0.155 0.000 1.150 148 G CA 0.320 45.614 45.100 0.324 0.000 0.776 148 G HN 0.538 nan 8.290 nan 0.000 0.542 149 M N 1.643 121.306 119.600 0.105 0.000 2.123 149 M HA -0.057 4.424 4.480 0.001 0.000 0.263 149 M C 2.625 178.932 176.300 0.012 0.000 1.069 149 M CA 2.265 57.590 55.300 0.041 0.000 1.133 149 M CB -0.751 31.850 32.600 0.002 0.000 1.356 149 M HN 0.370 nan 8.290 nan 0.000 0.415 150 T N -3.654 110.894 114.554 -0.010 0.000 3.044 150 T HA 0.295 4.646 4.350 0.001 0.000 0.255 150 T C 1.527 176.228 174.700 0.001 0.000 1.073 150 T CA 1.058 63.140 62.100 -0.030 0.000 1.125 150 T CB 0.028 68.840 68.868 -0.093 0.000 0.908 150 T HN 0.599 nan 8.240 nan 0.000 0.480 151 G N 1.030 109.836 108.800 0.010 0.000 2.234 151 G HA2 -0.262 3.698 3.960 0.001 0.000 0.260 151 G HA3 -0.262 3.698 3.960 0.001 0.000 0.260 151 G C -0.025 174.839 174.900 -0.061 0.000 0.987 151 G CA 0.005 45.091 45.100 -0.023 0.000 0.625 151 G HN 0.669 nan 8.290 nan 0.000 0.532 152 F N 2.827 122.645 119.950 -0.221 0.000 2.608 152 F HA 0.469 4.996 4.527 0.000 0.000 0.380 152 F C 0.647 176.164 175.800 -0.471 0.000 1.083 152 F CA 1.384 59.152 58.000 -0.386 0.000 1.266 152 F CB 0.767 39.453 39.000 -0.523 0.000 1.076 152 F HN 0.038 nan 8.300 nan 0.000 0.574 153 T N 6.140 120.189 114.554 -0.843 0.000 2.861 153 T HA 0.281 4.632 4.350 0.001 0.000 0.287 153 T C -1.107 173.248 174.700 -0.575 0.000 1.003 153 T CA -0.493 61.324 62.100 -0.471 0.000 0.977 153 T CB 0.976 69.648 68.868 -0.328 0.000 0.996 153 T HN 0.473 nan 8.240 nan 0.000 0.448 154 W N 3.085 124.298 121.300 -0.144 0.000 2.606 154 W HA 0.637 5.298 4.660 0.001 0.000 0.332 154 W C -0.991 175.397 176.519 -0.219 0.000 1.052 154 W CA -0.885 56.374 57.345 -0.144 0.000 1.223 154 W CB 1.408 30.900 29.460 0.052 0.000 1.383 154 W HN 0.294 nan 8.180 nan 0.000 0.524 155 L N 3.229 124.310 121.223 -0.236 0.000 2.356 155 L HA 0.466 4.806 4.340 0.001 0.000 0.277 155 L C -1.420 175.154 176.870 -0.494 0.000 0.996 155 L CA -1.010 53.694 54.840 -0.228 0.000 0.822 155 L CB 1.525 43.490 42.059 -0.157 0.000 1.256 155 L HN 0.294 nan 8.230 nan 0.000 0.413 156 Y N 3.102 123.448 120.300 0.077 0.000 2.346 156 Y HA 0.402 4.952 4.550 0.000 0.000 0.332 156 Y C -2.288 173.701 175.900 0.148 0.000 0.985 156 Y CA -2.553 55.599 58.100 0.087 0.000 1.112 156 Y CB 1.896 40.415 38.460 0.098 0.000 1.170 156 Y HN 0.357 nan 8.280 nan 0.000 0.447 157 P HA 0.171 nan 4.420 nan 0.000 0.280 157 P C -0.312 177.273 177.300 0.475 0.000 1.244 157 P CA -0.090 63.199 63.100 0.314 0.000 0.784 157 P CB 1.536 33.177 31.700 -0.098 0.000 0.913 158 T N -0.802 114.179 114.554 0.713 0.000 2.887 158 T HA 0.432 4.782 4.350 0.001 0.000 0.292 158 T C 0.743 175.834 174.700 0.651 0.000 1.087 158 T CA -0.781 61.735 62.100 0.694 0.000 1.009 158 T CB 1.792 70.950 68.868 0.484 0.000 1.203 158 T HN 0.168 nan 8.240 nan 0.000 0.518 159 K N -0.067 120.521 120.400 0.313 0.000 2.356 159 K HA 0.561 4.881 4.320 0.001 0.000 0.195 159 K C 0.547 177.241 176.600 0.156 0.000 1.037 159 K CA 0.288 56.660 56.287 0.141 0.000 1.014 159 K CB 0.473 32.930 32.500 -0.072 0.000 0.815 159 K HN 0.771 nan 8.250 nan 0.000 0.507 160 A N 1.236 124.057 122.820 0.001 0.000 2.612 160 A HA 0.375 4.696 4.320 0.001 0.000 0.293 160 A C -2.808 174.297 177.584 -0.799 0.000 1.075 160 A CA -1.196 50.609 52.037 -0.386 0.000 0.680 160 A CB 1.137 19.983 19.000 -0.257 0.000 1.279 160 A HN -0.157 nan 8.150 nan 0.000 0.411 161 P HA 0.198 nan 4.420 nan 0.000 0.214 161 P C -0.129 176.583 177.300 -0.981 0.000 1.826 161 P CA 0.204 62.270 63.100 -1.723 0.000 0.977 161 P CB -0.260 30.487 31.700 -1.588 0.000 1.930 162 S N -0.693 114.650 115.700 -0.594 0.000 2.690 162 S HA 0.343 4.813 4.470 0.001 0.000 0.291 162 S C 1.385 175.836 174.600 -0.248 0.000 1.138 162 S CA -0.342 57.648 58.200 -0.351 0.000 1.013 162 S CB 0.563 63.630 63.200 -0.223 0.000 1.053 162 S HN 0.058 nan 8.310 nan 0.000 0.539 163 T N 2.243 116.670 114.554 -0.211 0.000 2.635 163 T HA -0.182 4.169 4.350 0.001 0.000 0.267 163 T C 2.287 176.946 174.700 -0.070 0.000 1.040 163 T CA 2.292 64.311 62.100 -0.134 0.000 1.156 163 T CB -0.900 67.941 68.868 -0.044 0.000 0.863 163 T HN 0.910 nan 8.240 nan 0.000 0.430 164 S N 1.943 117.610 115.700 -0.055 0.000 2.370 164 S HA -0.069 4.401 4.470 0.001 0.000 0.226 164 S C 2.371 176.956 174.600 -0.026 0.000 1.033 164 S CA 1.229 59.412 58.200 -0.029 0.000 1.011 164 S CB -0.617 62.572 63.200 -0.018 0.000 0.852 164 S HN 0.517 nan 8.310 nan 0.000 0.457 165 A N 1.296 124.107 122.820 -0.015 0.000 1.968 165 A HA 0.077 4.397 4.320 0.001 0.000 0.217 165 A C 2.381 179.988 177.584 0.038 0.000 1.169 165 A CA 1.701 53.763 52.037 0.042 0.000 0.638 165 A CB -1.450 17.604 19.000 0.089 0.000 0.812 165 A HN 0.589 nan 8.150 nan 0.000 0.446 166 T N -0.221 114.349 114.554 0.026 0.000 2.708 166 T HA -0.136 4.214 4.350 0.001 0.000 0.266 166 T C 1.889 176.479 174.700 -0.184 0.000 1.037 166 T CA 1.697 63.776 62.100 -0.034 0.000 1.146 166 T CB -0.458 68.369 68.868 -0.068 0.000 0.865 166 T HN 0.139 nan 8.240 nan 0.000 0.435 167 V N 1.599 121.380 119.914 -0.222 0.000 2.295 167 V HA -0.193 3.927 4.120 0.001 0.000 0.246 167 V C 2.491 178.447 176.094 -0.231 0.000 1.049 167 V CA 1.626 63.669 62.300 -0.428 0.000 1.024 167 V CB -0.503 31.117 31.823 -0.339 0.000 0.648 167 V HN 0.485 nan 8.190 nan 0.000 0.447 168 K N 0.137 120.473 120.400 -0.106 0.000 2.074 168 K HA -0.175 4.145 4.320 0.001 0.000 0.209 168 K C 2.308 178.843 176.600 -0.109 0.000 1.048 168 K CA 1.907 58.166 56.287 -0.047 0.000 0.926 168 K CB -0.324 32.182 32.500 0.009 0.000 0.713 168 K HN 0.463 nan 8.250 nan 0.000 0.444 169 S N 1.346 116.909 115.700 -0.229 0.000 2.377 169 S HA 0.001 4.471 4.470 0.001 0.000 0.223 169 S C 1.996 176.270 174.600 -0.542 0.000 1.030 169 S CA 0.729 58.589 58.200 -0.566 0.000 0.970 169 S CB -0.161 62.517 63.200 -0.870 0.000 0.830 169 S HN 0.169 nan 8.310 nan 0.000 0.473 170 L N 1.904 122.928 121.223 -0.331 0.000 2.093 170 L HA -0.108 4.232 4.340 0.001 0.000 0.208 170 L C 2.151 179.075 176.870 0.091 0.000 1.085 170 L CA 0.791 55.555 54.840 -0.127 0.000 0.755 170 L CB -0.790 41.175 42.059 -0.156 0.000 0.904 170 L HN 0.255 nan 8.230 nan 0.000 0.435 171 N N 0.039 118.807 118.700 0.113 0.000 2.094 171 N HA -0.170 4.570 4.740 0.001 0.000 0.191 171 N C 1.858 177.422 175.510 0.089 0.000 1.023 171 N CA 1.313 54.471 53.050 0.182 0.000 0.857 171 N CB -0.534 38.057 38.487 0.174 0.000 1.013 171 N HN 0.130 nan 8.380 nan 0.000 0.426 172 V N 1.161 121.091 119.914 0.027 0.000 2.358 172 V HA -0.149 3.971 4.120 0.001 0.000 0.246 172 V C 2.283 178.423 176.094 0.076 0.000 1.047 172 V CA 1.048 63.388 62.300 0.067 0.000 1.035 172 V CB -0.496 31.395 31.823 0.113 0.000 0.658 172 V HN 0.221 nan 8.190 nan 0.000 0.452 173 L N 1.150 122.380 121.223 0.011 0.000 2.072 173 L HA -0.083 4.257 4.340 0.001 0.000 0.205 173 L C 2.525 179.371 176.870 -0.040 0.000 1.079 173 L CA 2.688 57.494 54.840 -0.056 0.000 0.752 173 L CB -1.193 40.743 42.059 -0.206 0.000 0.906 173 L HN 0.526 nan 8.230 nan 0.000 0.436 174 T N -4.090 110.484 114.554 0.033 0.000 3.113 174 T HA -0.027 4.323 4.350 0.001 0.000 0.263 174 T C 1.861 176.551 174.700 -0.017 0.000 1.143 174 T CA 0.937 63.049 62.100 0.019 0.000 1.090 174 T CB -0.703 68.209 68.868 0.073 0.000 0.922 174 T HN 0.322 nan 8.240 nan 0.000 0.521 175 S N 1.438 117.149 115.700 0.017 0.000 2.402 175 S HA -0.059 4.411 4.470 0.001 0.000 0.233 175 S C 1.787 176.385 174.600 -0.004 0.000 1.030 175 S CA 1.091 59.301 58.200 0.017 0.000 1.003 175 S CB -0.327 62.906 63.200 0.055 0.000 0.813 175 S HN 0.465 nan 8.310 nan 0.000 0.477 176 I N 0.401 120.970 120.570 -0.002 0.000 2.339 176 I HA 0.251 4.421 4.170 0.001 0.000 0.245 176 I C 1.011 177.025 176.117 -0.171 0.000 1.096 176 I CA 0.520 61.818 61.300 -0.003 0.000 1.408 176 I CB -1.429 36.650 38.000 0.132 0.000 1.092 176 I HN 0.215 nan 8.210 nan 0.000 0.423 177 A N 0.360 123.005 122.820 -0.291 0.000 2.599 177 A HA 0.595 4.915 4.320 0.001 0.000 0.294 177 A C -1.063 176.272 177.584 -0.415 0.000 1.055 177 A CA -0.510 51.187 52.037 -0.567 0.000 0.683 177 A CB 1.161 19.278 19.000 -1.472 0.000 1.278 177 A HN -0.022 nan 8.150 nan 0.000 0.412 178 I N 2.699 123.045 120.570 -0.373 0.000 2.392 178 I HA 0.439 4.610 4.170 0.001 0.000 0.295 178 I C -2.105 173.821 176.117 -0.318 0.000 0.985 178 I CA -1.679 59.450 61.300 -0.285 0.000 1.221 178 I CB 1.514 39.371 38.000 -0.238 0.000 1.366 178 I HN 0.486 nan 8.210 nan 0.000 0.467 179 P HA 0.375 nan 4.420 nan 0.000 0.287 179 P C -0.006 177.131 177.300 -0.271 0.000 1.270 179 P CA -0.661 62.179 63.100 -0.434 0.000 0.844 179 P CB 1.766 32.853 31.700 -1.021 0.000 1.068 180 K N 0.223 120.516 120.400 -0.180 0.000 2.002 180 K HA 0.034 4.354 4.320 0.001 0.000 0.209 180 K C 0.502 177.037 176.600 -0.109 0.000 1.048 180 K CA 1.203 57.417 56.287 -0.121 0.000 0.930 180 K CB -0.160 32.295 32.500 -0.076 0.000 0.714 180 K HN 0.266 nan 8.250 nan 0.000 0.438 181 V N 1.430 121.268 119.914 -0.127 0.000 2.735 181 V HA 0.349 4.469 4.120 0.001 0.000 0.310 181 V C -0.632 175.366 176.094 -0.160 0.000 1.061 181 V CA -0.778 61.457 62.300 -0.107 0.000 0.913 181 V CB 2.117 33.907 31.823 -0.054 0.000 1.005 181 V HN 0.104 nan 8.190 nan 0.000 0.428 182 I N 3.168 123.642 120.570 -0.159 0.000 2.382 182 I HA 0.395 4.565 4.170 0.001 0.000 0.286 182 I C -0.561 175.406 176.117 -0.250 0.000 1.002 182 I CA -0.418 60.814 61.300 -0.114 0.000 1.135 182 I CB 1.349 39.360 38.000 0.017 0.000 1.288 182 I HN 0.733 nan 8.210 nan 0.000 0.448 183 H N 5.648 124.469 119.070 -0.415 0.000 2.489 183 H HA 0.608 5.164 4.556 0.001 0.000 0.322 183 H C -0.367 174.769 175.328 -0.321 0.000 1.091 183 H CA -0.181 55.597 56.048 -0.450 0.000 1.291 183 H CB 1.062 30.410 29.762 -0.690 0.000 1.436 183 H HN 0.643 nan 8.280 nan 0.000 0.480 184 S N 2.775 118.277 115.700 -0.331 0.000 2.671 184 S HA 0.296 4.766 4.470 0.001 0.000 0.277 184 S C -0.917 173.729 174.600 0.075 0.000 1.165 184 S CA -0.979 57.133 58.200 -0.148 0.000 0.822 184 S CB 1.552 64.392 63.200 -0.599 0.000 1.150 184 S HN 0.768 nan 8.310 nan 0.000 0.479 185 D N -0.163 120.375 120.400 0.229 0.000 2.447 185 D HA 0.188 4.829 4.640 0.001 0.000 0.265 185 D C 0.101 176.621 176.300 0.366 0.000 1.250 185 D CA -0.471 53.697 54.000 0.280 0.000 1.046 185 D CB -0.034 40.905 40.800 0.232 0.000 1.095 185 D HN 0.647 nan 8.370 nan 0.000 0.555 186 Q N -0.584 119.324 119.800 0.180 0.000 2.294 186 Q HA 0.270 4.611 4.340 0.001 0.000 0.256 186 Q C 0.477 176.492 176.000 0.025 0.000 0.907 186 Q CA -0.401 55.437 55.803 0.058 0.000 0.954 186 Q CB 0.185 28.858 28.738 -0.108 0.000 1.102 186 Q HN 0.529 nan 8.270 nan 0.000 0.429 187 G N 0.019 108.906 108.800 0.146 0.000 2.491 187 G HA2 0.152 4.112 3.960 0.001 0.000 0.238 187 G HA3 0.152 4.112 3.960 0.001 0.000 0.238 187 G C 0.963 175.768 174.900 -0.158 0.000 1.277 187 G CA 0.161 45.246 45.100 -0.025 0.000 0.851 187 G HN 0.382 nan 8.290 nan 0.000 0.573 188 A N 2.205 124.900 122.820 -0.209 0.000 1.917 188 A HA 0.006 4.327 4.320 0.001 0.000 0.219 188 A C 2.786 180.196 177.584 -0.290 0.000 1.182 188 A CA 2.645 54.559 52.037 -0.206 0.000 0.633 188 A CB -0.772 18.118 19.000 -0.184 0.000 0.819 188 A HN 1.498 nan 8.150 nan 0.000 0.448 189 A N -1.649 120.851 122.820 -0.534 0.000 2.024 189 A HA 0.038 4.359 4.320 0.001 0.000 0.220 189 A C 1.635 178.831 177.584 -0.646 0.000 1.164 189 A CA 1.647 53.274 52.037 -0.683 0.000 0.643 189 A CB -0.584 17.834 19.000 -0.970 0.000 0.806 189 A HN 0.531 nan 8.150 nan 0.000 0.451 190 F N -0.926 118.933 119.950 -0.150 0.000 2.720 190 F HA 0.113 4.641 4.527 0.001 0.000 0.301 190 F C 2.266 178.259 175.800 0.321 0.000 1.103 190 F CA 0.972 58.908 58.000 -0.108 0.000 1.291 190 F CB -0.493 38.535 39.000 0.046 0.000 1.086 190 F HN 0.233 nan 8.300 nan 0.000 0.592 191 T N -3.011 111.679 114.554 0.226 0.000 3.022 191 T HA 0.116 4.466 4.350 0.001 0.000 0.250 191 T C 1.003 175.747 174.700 0.075 0.000 1.060 191 T CA 0.266 62.388 62.100 0.037 0.000 1.013 191 T CB -0.624 68.131 68.868 -0.189 0.000 0.982 191 T HN 0.100 nan 8.240 nan 0.000 0.508 192 S N 2.103 117.867 115.700 0.106 0.000 2.566 192 S HA 0.143 4.613 4.470 0.001 0.000 0.280 192 S C 1.618 176.314 174.600 0.160 0.000 1.343 192 S CA -0.002 58.255 58.200 0.094 0.000 1.036 192 S CB 0.996 64.238 63.200 0.071 0.000 0.866 192 S HN 0.500 nan 8.310 nan 0.000 0.526 193 S N 1.981 117.744 115.700 0.106 0.000 2.402 193 S HA -0.111 4.359 4.470 0.001 0.000 0.229 193 S C 1.703 176.385 174.600 0.136 0.000 1.021 193 S CA 1.179 59.444 58.200 0.108 0.000 0.974 193 S CB -1.416 61.823 63.200 0.066 0.000 0.800 193 S HN 0.823 nan 8.310 nan 0.000 0.484 194 T N 1.770 116.409 114.554 0.142 0.000 2.746 194 T HA -0.015 4.335 4.350 0.001 0.000 0.267 194 T C 1.265 176.119 174.700 0.256 0.000 1.039 194 T CA 1.443 63.642 62.100 0.164 0.000 1.142 194 T CB -0.550 68.398 68.868 0.134 0.000 0.866 194 T HN 0.465 nan 8.240 nan 0.000 0.444 195 F N 1.938 121.970 119.950 0.138 0.000 2.234 195 F HA 0.148 4.675 4.527 0.000 0.000 0.299 195 F C 2.364 178.334 175.800 0.282 0.000 1.087 195 F CA 0.500 58.621 58.000 0.201 0.000 1.340 195 F CB -0.573 38.532 39.000 0.175 0.000 1.031 195 F HN 0.130 nan 8.300 nan 0.000 0.500 196 A N 0.009 122.961 122.820 0.219 0.000 1.902 196 A HA -0.192 4.128 4.320 0.001 0.000 0.217 196 A C 2.124 179.730 177.584 0.036 0.000 1.181 196 A CA 1.858 53.962 52.037 0.112 0.000 0.623 196 A CB -0.818 18.270 19.000 0.148 0.000 0.818 196 A HN 0.492 nan 8.150 nan 0.000 0.443 197 E N -1.612 118.632 120.200 0.073 0.000 2.077 197 E HA -0.236 4.115 4.350 0.001 0.000 0.193 197 E C 1.724 178.331 176.600 0.012 0.000 0.989 197 E CA 1.351 57.775 56.400 0.040 0.000 0.800 197 E CB -0.269 29.471 29.700 0.067 0.000 0.746 197 E HN 0.850 nan 8.360 nan 0.000 0.452 198 W N 1.203 122.431 121.300 -0.121 0.000 2.342 198 W HA -0.218 4.442 4.660 0.000 0.000 0.297 198 W C 2.182 178.557 176.519 -0.240 0.000 1.213 198 W CA 2.007 59.257 57.345 -0.158 0.000 1.251 198 W CB -0.114 29.262 29.460 -0.140 0.000 1.136 198 W HN 0.032 nan 8.180 nan 0.000 0.526 199 A N 0.220 122.903 122.820 -0.227 0.000 1.930 199 A HA -0.118 4.202 4.320 0.001 0.000 0.215 199 A C 2.062 179.444 177.584 -0.337 0.000 1.176 199 A CA 1.571 53.363 52.037 -0.408 0.000 0.632 199 A CB -0.844 17.996 19.000 -0.267 0.000 0.819 199 A HN 0.327 nan 8.150 nan 0.000 0.445 200 K N -0.016 120.261 120.400 -0.205 0.000 2.026 200 K HA -0.195 4.126 4.320 0.001 0.000 0.208 200 K C 1.831 178.318 176.600 -0.189 0.000 1.048 200 K CA 1.669 57.867 56.287 -0.147 0.000 0.929 200 K CB -0.231 32.223 32.500 -0.077 0.000 0.713 200 K HN 0.533 nan 8.250 nan 0.000 0.439 201 E N -0.078 119.990 120.200 -0.221 0.000 2.301 201 E HA -0.207 4.143 4.350 0.001 0.000 0.202 201 E C 1.249 177.668 176.600 -0.302 0.000 1.017 201 E CA 1.359 57.613 56.400 -0.242 0.000 0.831 201 E CB 0.159 29.693 29.700 -0.275 0.000 0.742 201 E HN 0.234 nan 8.360 nan 0.000 0.491 202 R N -2.349 117.919 120.500 -0.388 0.000 2.509 202 R HA 0.175 4.516 4.340 0.001 0.000 0.297 202 R C 0.795 176.922 176.300 -0.288 0.000 0.951 202 R CA 0.448 56.313 56.100 -0.391 0.000 1.103 202 R CB 1.401 31.336 30.300 -0.608 0.000 1.283 202 R HN 0.171 nan 8.270 nan 0.000 0.534 203 G N 1.617 110.280 108.800 -0.230 0.000 2.148 203 G HA2 -0.276 3.684 3.960 0.001 0.000 0.254 203 G HA3 -0.276 3.684 3.960 0.001 0.000 0.254 203 G C 0.108 174.914 174.900 -0.157 0.000 0.981 203 G CA -0.068 44.933 45.100 -0.165 0.000 0.670 203 G HN 0.228 nan 8.290 nan 0.000 0.528 204 I N 1.061 121.509 120.570 -0.204 0.000 2.352 204 I HA 0.295 4.466 4.170 0.001 0.000 0.290 204 I C 0.693 176.752 176.117 -0.097 0.000 1.036 204 I CA -0.970 60.227 61.300 -0.173 0.000 1.336 204 I CB 0.857 38.714 38.000 -0.239 0.000 1.407 204 I HN 0.234 nan 8.210 nan 0.000 0.497 205 H N 7.200 126.180 119.070 -0.149 0.000 2.668 205 H HA 0.392 4.948 4.556 0.001 0.000 0.303 205 H C -0.814 174.420 175.328 -0.156 0.000 1.074 205 H CA -0.264 55.708 56.048 -0.126 0.000 1.406 205 H CB 0.673 30.373 29.762 -0.104 0.000 1.442 205 H HN 0.441 nan 8.280 nan 0.000 0.482 206 L N 5.009 125.847 121.223 -0.641 0.000 2.319 206 L HA 0.256 4.596 4.340 0.001 0.000 0.280 206 L C 0.393 176.675 176.870 -0.980 0.000 1.099 206 L CA -0.032 54.387 54.840 -0.701 0.000 0.828 206 L CB 0.789 42.556 42.059 -0.488 0.000 1.150 206 L HN 0.675 nan 8.230 nan 0.000 0.442 207 E N 3.064 122.735 120.200 -0.881 0.000 2.176 207 E HA 0.475 4.825 4.350 0.001 0.000 0.267 207 E C -1.572 174.459 176.600 -0.947 0.000 0.893 207 E CA -0.659 55.341 56.400 -0.667 0.000 0.761 207 E CB 1.384 30.866 29.700 -0.364 0.000 1.133 207 E HN 0.262 nan 8.360 nan 0.000 0.409 208 F N 1.382 121.133 119.950 -0.332 0.000 2.480 208 F HA 0.326 4.854 4.527 0.000 0.000 0.329 208 F C 0.767 176.418 175.800 -0.249 0.000 1.091 208 F CA -0.690 57.128 58.000 -0.304 0.000 0.972 208 F CB 1.929 40.862 39.000 -0.112 0.000 1.150 208 F HN 0.257 nan 8.300 nan 0.000 0.467 209 S N 0.776 116.495 115.700 0.033 0.000 2.573 209 S HA 0.145 4.615 4.470 0.001 0.000 0.277 209 S C 0.185 174.900 174.600 0.193 0.000 1.346 209 S CA -0.631 57.716 58.200 0.246 0.000 1.034 209 S CB 0.298 63.710 63.200 0.353 0.000 0.879 209 S HN 0.737 nan 8.310 nan 0.000 0.528 210 T N 1.878 116.544 114.554 0.186 0.000 2.855 210 T HA 0.210 4.560 4.350 0.001 0.000 0.322 210 T C -2.510 172.268 174.700 0.130 0.000 1.088 210 T CA -1.225 60.953 62.100 0.129 0.000 1.104 210 T CB -0.335 68.581 68.868 0.079 0.000 0.996 210 T HN 0.337 nan 8.240 nan 0.000 0.549 211 P HA 0.137 nan 4.420 nan 0.000 0.275 211 P C -0.548 176.823 177.300 0.118 0.000 1.228 211 P CA -0.418 62.670 63.100 -0.019 0.000 0.786 211 P CB -0.162 31.535 31.700 -0.006 0.000 0.927 212 Y N -0.983 119.401 120.300 0.141 0.000 3.037 212 Y HA -0.239 4.312 4.550 0.001 0.000 0.204 212 Y C 0.608 176.632 175.900 0.205 0.000 1.275 212 Y CA 1.038 59.219 58.100 0.135 0.000 1.066 212 Y CB -2.781 35.735 38.460 0.092 0.000 1.305 212 Y HN 0.580 nan 8.280 nan 0.000 0.499 213 H N 0.664 119.829 119.070 0.158 0.000 2.562 213 H HA 0.164 4.720 4.556 0.001 0.000 0.230 213 H C -2.136 173.265 175.328 0.122 0.000 1.415 213 H CA -1.535 54.597 56.048 0.140 0.000 1.454 213 H CB 1.472 31.317 29.762 0.138 0.000 1.716 213 H HN 0.044 nan 8.280 nan 0.000 0.538 214 P HA -0.111 nan 4.420 nan 0.000 0.226 214 P C 1.058 178.301 177.300 -0.095 0.000 1.153 214 P CA 0.625 63.719 63.100 -0.010 0.000 0.777 214 P CB 0.507 32.214 31.700 0.012 0.000 0.794 215 Q N 0.111 119.737 119.800 -0.290 0.000 2.217 215 Q HA -0.136 4.204 4.340 0.001 0.000 0.209 215 Q C 2.395 178.344 176.000 -0.085 0.000 0.988 215 Q CA 1.976 57.630 55.803 -0.248 0.000 0.878 215 Q CB -1.009 27.488 28.738 -0.402 0.000 0.909 215 Q HN 0.243 nan 8.270 nan 0.000 0.424 216 S N -0.411 115.315 115.700 0.044 0.000 2.383 216 S HA -0.035 4.435 4.470 0.001 0.000 0.227 216 S C 1.456 176.110 174.600 0.090 0.000 1.026 216 S CA 0.856 59.175 58.200 0.197 0.000 0.981 216 S CB -0.003 63.437 63.200 0.400 0.000 0.818 216 S HN 0.234 nan 8.310 nan 0.000 0.472 217 S N 1.154 116.916 115.700 0.105 0.000 2.763 217 S HA 0.199 4.670 4.470 0.001 0.000 0.237 217 S C 1.769 176.295 174.600 -0.122 0.000 0.966 217 S CA 0.034 58.265 58.200 0.053 0.000 1.017 217 S CB -0.151 63.155 63.200 0.176 0.000 0.780 217 S HN 0.605 nan 8.310 nan 0.000 0.476 218 G N 2.514 111.211 108.800 -0.171 0.000 2.503 218 G HA2 -0.269 3.692 3.960 0.001 0.000 0.221 218 G HA3 -0.269 3.692 3.960 0.001 0.000 0.221 218 G C 1.622 176.368 174.900 -0.256 0.000 1.131 218 G CA 0.756 45.745 45.100 -0.184 0.000 0.756 218 G HN 0.372 nan 8.290 nan 0.000 0.572 219 K N -0.228 119.888 120.400 -0.474 0.000 2.063 219 K HA -0.039 4.281 4.320 0.001 0.000 0.208 219 K C 2.534 178.958 176.600 -0.294 0.000 1.048 219 K CA 1.403 57.385 56.287 -0.509 0.000 0.928 219 K CB -0.561 31.315 32.500 -1.039 0.000 0.713 219 K HN 0.309 nan 8.250 nan 0.000 0.442 220 V N 0.998 120.778 119.914 -0.223 0.000 2.685 220 V HA -0.094 4.027 4.120 0.001 0.000 0.244 220 V C 1.885 177.945 176.094 -0.056 0.000 1.054 220 V CA 1.147 63.402 62.300 -0.075 0.000 1.076 220 V CB 0.044 31.888 31.823 0.035 0.000 0.725 220 V HN 0.188 nan 8.190 nan 0.000 0.467 221 E N 0.694 120.862 120.200 -0.054 0.000 2.070 221 E HA -0.294 4.057 4.350 0.001 0.000 0.197 221 E C 2.307 178.874 176.600 -0.056 0.000 1.004 221 E CA 1.844 58.222 56.400 -0.037 0.000 0.805 221 E CB -0.452 29.226 29.700 -0.036 0.000 0.744 221 E HN 0.478 nan 8.360 nan 0.000 0.451 222 R N 1.416 121.866 120.500 -0.083 0.000 2.120 222 R HA -0.115 4.225 4.340 0.001 0.000 0.234 222 R C 2.008 178.262 176.300 -0.076 0.000 1.123 222 R CA 1.623 57.675 56.100 -0.080 0.000 0.975 222 R CB -0.214 30.030 30.300 -0.092 0.000 0.866 222 R HN -0.085 nan 8.270 nan 0.000 0.446 223 K N 0.257 120.608 120.400 -0.082 0.000 2.155 223 K HA 0.023 4.343 4.320 0.001 0.000 0.203 223 K C 1.417 177.974 176.600 -0.072 0.000 1.052 223 K CA 1.368 57.605 56.287 -0.082 0.000 0.948 223 K CB -0.160 32.287 32.500 -0.088 0.000 0.728 223 K HN 0.210 nan 8.250 nan 0.000 0.448 224 N N 0.112 118.778 118.700 -0.057 0.000 2.104 224 N HA -0.170 4.571 4.740 0.001 0.000 0.190 224 N C 1.709 177.184 175.510 -0.058 0.000 1.024 224 N CA 1.413 54.432 53.050 -0.051 0.000 0.853 224 N CB -0.742 37.727 38.487 -0.029 0.000 1.008 224 N HN 0.184 nan 8.380 nan 0.000 0.424 225 S N 0.916 116.583 115.700 -0.054 0.000 2.359 225 S HA -0.157 4.314 4.470 0.001 0.000 0.223 225 S C 1.263 175.828 174.600 -0.059 0.000 1.039 225 S CA 1.437 59.605 58.200 -0.053 0.000 1.042 225 S CB -0.246 62.925 63.200 -0.049 0.000 0.915 225 S HN 0.226 nan 8.310 nan 0.000 0.439 226 D N 0.828 121.190 120.400 -0.064 0.000 2.144 226 D HA -0.026 4.614 4.640 0.001 0.000 0.200 226 D C 1.920 178.177 176.300 -0.072 0.000 0.978 226 D CA 1.001 54.961 54.000 -0.067 0.000 0.833 226 D CB -0.359 40.396 40.800 -0.075 0.000 0.961 226 D HN 0.466 nan 8.370 nan 0.000 0.470 227 I N 0.947 121.470 120.570 -0.079 0.000 2.142 227 I HA -0.241 3.929 4.170 0.001 0.000 0.240 227 I C 2.381 178.450 176.117 -0.080 0.000 1.078 227 I CA 1.138 62.388 61.300 -0.084 0.000 1.343 227 I CB -0.098 37.849 38.000 -0.090 0.000 1.046 227 I HN -0.112 nan 8.210 nan 0.000 0.405 228 K N 0.275 120.625 120.400 -0.084 0.000 2.097 228 K HA -0.204 4.116 4.320 0.001 0.000 0.206 228 K C 2.289 178.851 176.600 -0.063 0.000 1.049 228 K CA 1.231 57.466 56.287 -0.087 0.000 0.933 228 K CB -0.189 32.260 32.500 -0.086 0.000 0.717 228 K HN 0.214 nan 8.250 nan 0.000 0.442 229 R N 0.946 121.412 120.500 -0.056 0.000 2.075 229 R HA -0.127 4.214 4.340 0.001 0.000 0.232 229 R C 2.276 178.553 176.300 -0.039 0.000 1.126 229 R CA 1.018 57.091 56.100 -0.045 0.000 0.963 229 R CB -0.207 30.066 30.300 -0.044 0.000 0.858 229 R HN 0.073 nan 8.270 nan 0.000 0.435 230 L N 0.969 122.165 121.223 -0.044 0.000 2.056 230 L HA -0.059 4.281 4.340 0.001 0.000 0.207 230 L C 1.955 178.810 176.870 -0.024 0.000 1.078 230 L CA 1.536 56.353 54.840 -0.037 0.000 0.749 230 L CB -0.379 41.652 42.059 -0.047 0.000 0.901 230 L HN 0.256 nan 8.230 nan 0.000 0.433 231 L N -1.199 120.008 121.223 -0.026 0.000 2.046 231 L HA -0.234 4.107 4.340 0.001 0.000 0.208 231 L C 2.343 179.216 176.870 0.006 0.000 1.077 231 L CA 1.795 56.633 54.840 -0.002 0.000 0.747 231 L CB -0.931 41.118 42.059 -0.016 0.000 0.896 231 L HN 0.281 nan 8.230 nan 0.000 0.432 232 T N -0.460 114.086 114.554 -0.013 0.000 2.708 232 T HA -0.195 4.155 4.350 0.001 0.000 0.266 232 T C 1.897 176.597 174.700 -0.001 0.000 1.037 232 T CA 1.308 63.404 62.100 -0.008 0.000 1.146 232 T CB -0.068 68.788 68.868 -0.020 0.000 0.865 232 T HN 0.278 nan 8.240 nan 0.000 0.435 233 K N 0.767 121.162 120.400 -0.008 0.000 2.063 233 K HA -0.002 4.318 4.320 0.001 0.000 0.208 233 K C 2.141 178.741 176.600 0.001 0.000 1.048 233 K CA 1.125 57.408 56.287 -0.007 0.000 0.928 233 K CB -0.341 32.150 32.500 -0.014 0.000 0.713 233 K HN 0.309 nan 8.250 nan 0.000 0.442 234 L N 0.610 121.837 121.223 0.006 0.000 2.376 234 L HA -0.070 4.270 4.340 0.001 0.000 0.219 234 L C 1.755 178.639 176.870 0.024 0.000 1.133 234 L CA 0.571 55.419 54.840 0.013 0.000 0.816 234 L CB -0.102 41.966 42.059 0.015 0.000 0.933 234 L HN 0.157 nan 8.230 nan 0.000 0.449 235 L N -0.941 120.300 121.223 0.029 0.000 2.640 235 L HA 0.132 4.472 4.340 0.001 0.000 0.230 235 L C 0.581 177.468 176.870 0.028 0.000 1.123 235 L CA -0.436 54.428 54.840 0.040 0.000 0.900 235 L CB 0.474 42.569 42.059 0.061 0.000 1.146 235 L HN -0.096 nan 8.230 nan 0.000 0.484 236 V N 1.678 121.602 119.914 0.017 0.000 2.681 236 V HA -0.028 4.092 4.120 0.001 0.000 0.306 236 V C 1.587 177.689 176.094 0.013 0.000 1.077 236 V CA 1.272 63.579 62.300 0.012 0.000 1.224 236 V CB 0.103 31.929 31.823 0.006 0.000 0.879 236 V HN 0.689 nan 8.190 nan 0.000 0.494 237 G N 4.695 113.503 108.800 0.013 0.000 2.269 237 G HA2 -0.298 3.662 3.960 0.001 0.000 0.277 237 G HA3 -0.298 3.662 3.960 0.001 0.000 0.277 237 G C 0.235 175.145 174.900 0.015 0.000 1.008 237 G CA 0.921 46.029 45.100 0.012 0.000 0.774 237 G HN 0.779 nan 8.290 nan 0.000 0.511 238 R N -0.329 120.184 120.500 0.021 0.000 2.854 238 R HA 0.604 4.944 4.340 0.001 0.000 0.271 238 R C -2.525 173.794 176.300 0.032 0.000 0.994 238 R CA -2.038 54.077 56.100 0.025 0.000 0.945 238 R CB 1.377 31.693 30.300 0.026 0.000 1.194 238 R HN 0.097 nan 8.270 nan 0.000 0.476 239 P HA -0.011 nan 4.420 nan 0.000 0.269 239 P C 0.106 177.444 177.300 0.063 0.000 1.209 239 P CA -0.154 62.970 63.100 0.041 0.000 0.776 239 P CB 0.503 32.221 31.700 0.030 0.000 0.876 240 T N -2.366 112.241 114.554 0.088 0.000 4.492 240 T HA 0.188 4.538 4.350 0.001 0.000 0.222 240 T C 0.816 175.633 174.700 0.195 0.000 0.836 240 T CA -0.401 61.790 62.100 0.153 0.000 0.900 240 T CB -1.476 67.496 68.868 0.174 0.000 1.399 240 T HN 0.543 nan 8.240 nan 0.000 0.877 241 K N 2.628 123.092 120.400 0.106 0.000 2.155 241 K HA 0.251 4.571 4.320 0.001 0.000 0.240 241 K C 0.996 177.629 176.600 0.055 0.000 1.193 241 K CA -0.647 55.653 56.287 0.022 0.000 1.104 241 K CB -1.243 31.260 32.500 0.005 0.000 1.558 241 K HN 0.902 nan 8.250 nan 0.000 0.313 242 W N -0.319 121.028 121.300 0.077 0.000 2.576 242 W HA -0.120 4.541 4.660 0.001 0.000 0.270 242 W C 1.309 177.872 176.519 0.073 0.000 1.255 242 W CA 0.416 57.795 57.345 0.058 0.000 1.314 242 W CB -0.487 28.997 29.460 0.039 0.000 1.101 242 W HN 0.615 nan 8.180 nan 0.000 0.595 243 Y N 3.225 123.115 120.300 -0.684 0.000 2.062 243 Y HA -0.334 4.217 4.550 0.001 0.000 0.276 243 Y C 1.942 177.728 175.900 -0.189 0.000 1.189 243 Y CA 2.770 60.527 58.100 -0.571 0.000 1.130 243 Y CB -0.726 37.353 38.460 -0.636 0.000 0.959 243 Y HN -0.194 nan 8.280 nan 0.000 0.499 244 D N -0.207 120.201 120.400 0.013 0.000 2.378 244 D HA -0.066 4.575 4.640 0.001 0.000 0.222 244 D C 1.654 177.924 176.300 -0.049 0.000 0.980 244 D CA 0.951 54.940 54.000 -0.017 0.000 0.907 244 D CB -0.081 40.751 40.800 0.054 0.000 0.899 244 D HN 0.451 nan 8.370 nan 0.000 0.527 245 L N -0.467 120.749 121.223 -0.012 0.000 2.590 245 L HA 0.145 4.486 4.340 0.001 0.000 0.227 245 L C 2.181 179.043 176.870 -0.013 0.000 1.099 245 L CA -0.057 54.788 54.840 0.008 0.000 0.872 245 L CB 0.294 42.388 42.059 0.059 0.000 1.088 245 L HN -0.032 nan 8.230 nan 0.000 0.479 246 L N 0.832 122.040 121.223 -0.023 0.000 1.997 246 L HA -0.213 4.127 4.340 0.001 0.000 0.216 246 L C -0.177 176.629 176.870 -0.107 0.000 1.074 246 L CA 2.046 56.856 54.840 -0.049 0.000 0.763 246 L CB -1.744 40.270 42.059 -0.076 0.000 0.890 246 L HN 0.256 nan 8.230 nan 0.000 0.434 247 P HA -0.119 nan 4.420 nan 0.000 0.216 247 P C 1.908 179.153 177.300 -0.092 0.000 1.153 247 P CA 1.092 64.121 63.100 -0.118 0.000 0.848 247 P CB 0.042 31.678 31.700 -0.106 0.000 0.787 248 V N -0.584 119.288 119.914 -0.071 0.000 2.343 248 V HA -0.184 3.937 4.120 0.001 0.000 0.247 248 V C 2.464 178.515 176.094 -0.072 0.000 1.051 248 V CA 1.672 63.937 62.300 -0.058 0.000 1.036 248 V CB -1.292 30.510 31.823 -0.036 0.000 0.654 248 V HN -0.031 nan 8.190 nan 0.000 0.451 249 V N -0.202 119.669 119.914 -0.072 0.000 2.358 249 V HA -0.329 3.792 4.120 0.001 0.000 0.246 249 V C 2.468 178.483 176.094 -0.131 0.000 1.047 249 V CA 2.364 64.614 62.300 -0.084 0.000 1.035 249 V CB -0.638 31.147 31.823 -0.063 0.000 0.658 249 V HN 0.627 nan 8.190 nan 0.000 0.452 250 Q N -0.435 119.271 119.800 -0.156 0.000 2.014 250 Q HA -0.293 4.047 4.340 0.001 0.000 0.207 250 Q C 2.307 178.152 176.000 -0.258 0.000 0.993 250 Q CA 2.523 58.185 55.803 -0.235 0.000 0.850 250 Q CB -0.295 28.301 28.738 -0.236 0.000 0.916 250 Q HN 0.531 nan 8.270 nan 0.000 0.417 251 L N 0.639 121.755 121.223 -0.179 0.000 2.012 251 L HA -0.161 4.179 4.340 0.001 0.000 0.210 251 L C 2.290 179.074 176.870 -0.144 0.000 1.073 251 L CA 2.347 57.099 54.840 -0.146 0.000 0.748 251 L CB -0.869 41.138 42.059 -0.086 0.000 0.891 251 L HN 0.321 nan 8.230 nan 0.000 0.431 252 A N -0.595 122.153 122.820 -0.120 0.000 1.883 252 A HA -0.185 4.136 4.320 0.001 0.000 0.217 252 A C 2.239 179.750 177.584 -0.121 0.000 1.186 252 A CA 2.132 54.110 52.037 -0.099 0.000 0.624 252 A CB -0.942 18.013 19.000 -0.076 0.000 0.822 252 A HN 0.514 nan 8.150 nan 0.000 0.444 253 L N -0.524 120.606 121.223 -0.155 0.000 2.156 253 L HA -0.127 4.214 4.340 0.001 0.000 0.208 253 L C 1.973 178.714 176.870 -0.216 0.000 1.095 253 L CA 0.905 55.643 54.840 -0.170 0.000 0.770 253 L CB -0.622 41.329 42.059 -0.179 0.000 0.914 253 L HN 0.325 nan 8.230 nan 0.000 0.439 254 N N 0.208 118.726 118.700 -0.303 0.000 2.381 254 N HA -0.113 4.627 4.740 0.001 0.000 0.182 254 N C 1.023 176.453 175.510 -0.134 0.000 1.025 254 N CA 0.852 53.684 53.050 -0.362 0.000 0.888 254 N CB -0.155 37.895 38.487 -0.728 0.000 0.965 254 N HN 0.377 nan 8.380 nan 0.000 0.438 255 N N -0.201 118.420 118.700 -0.131 0.000 2.238 255 N HA 0.058 4.799 4.740 0.001 0.000 0.222 255 N C -0.483 174.937 175.510 -0.150 0.000 1.133 255 N CA 0.148 53.125 53.050 -0.121 0.000 0.854 255 N CB 0.832 39.243 38.487 -0.126 0.000 1.041 255 N HN -0.010 nan 8.380 nan 0.000 0.510 256 T N 0.743 115.217 114.554 -0.133 0.000 2.837 256 T HA 0.280 4.630 4.350 0.001 0.000 0.285 256 T C -0.117 174.523 174.700 -0.099 0.000 0.984 256 T CA -0.222 61.827 62.100 -0.085 0.000 1.049 256 T CB 0.835 69.667 68.868 -0.060 0.000 0.947 256 T HN -0.013 nan 8.240 nan 0.000 0.472 257 Y N 1.715 121.994 120.300 -0.034 0.000 2.425 257 Y HA 0.234 4.785 4.550 0.001 0.000 0.331 257 Y C 1.233 177.112 175.900 -0.035 0.000 1.157 257 Y CA 0.110 58.193 58.100 -0.029 0.000 1.372 257 Y CB 0.725 39.150 38.460 -0.058 0.000 1.253 257 Y HN 0.514 nan 8.280 nan 0.000 0.536 258 S N 5.443 121.220 115.700 0.128 0.000 2.416 258 S HA 0.224 4.694 4.470 0.001 0.000 0.287 258 S C -1.737 172.904 174.600 0.069 0.000 1.139 258 S CA -1.590 56.656 58.200 0.076 0.000 1.058 258 S CB 0.647 63.883 63.200 0.059 0.000 0.967 258 S HN 0.432 nan 8.310 nan 0.000 0.495 259 P HA -0.127 nan 4.420 nan 0.000 0.217 259 P C 1.453 178.721 177.300 -0.054 0.000 1.148 259 P CA 0.579 63.659 63.100 -0.034 0.000 0.828 259 P CB 0.129 31.795 31.700 -0.056 0.000 0.783 260 V N -1.142 118.739 119.914 -0.055 0.000 2.591 260 V HA -0.117 4.003 4.120 0.001 0.000 0.249 260 V C 1.888 177.969 176.094 -0.022 0.000 1.053 260 V CA 1.496 63.733 62.300 -0.106 0.000 1.068 260 V CB -0.719 30.993 31.823 -0.185 0.000 0.689 260 V HN 0.007 nan 8.190 nan 0.000 0.462 261 L N -0.769 120.490 121.223 0.060 0.000 2.354 261 L HA 0.211 4.552 4.340 0.001 0.000 0.212 261 L C 1.340 178.280 176.870 0.117 0.000 1.091 261 L CA 0.374 55.315 54.840 0.168 0.000 0.828 261 L CB -0.187 42.011 42.059 0.231 0.000 0.973 261 L HN 0.161 nan 8.230 nan 0.000 0.461 262 K N -0.895 119.501 120.400 -0.006 0.000 3.281 262 K HA -0.211 4.109 4.320 0.001 0.000 0.295 262 K C -1.196 175.164 176.600 -0.399 0.000 1.233 262 K CA 0.938 57.103 56.287 -0.203 0.000 0.866 262 K CB -2.354 29.915 32.500 -0.386 0.000 1.265 262 K HN 0.283 nan 8.250 nan 0.000 0.482 263 Y N -0.350 120.111 120.300 0.267 0.000 2.553 263 Y HA 0.304 4.855 4.550 0.001 0.000 0.347 263 Y C 0.911 176.760 175.900 -0.085 0.000 1.019 263 Y CA -0.651 57.523 58.100 0.124 0.000 1.032 263 Y CB 1.637 40.142 38.460 0.075 0.000 1.284 263 Y HN 0.098 nan 8.280 nan 0.000 0.466 264 T N -1.431 113.013 114.554 -0.184 0.000 2.899 264 T HA 0.308 4.659 4.350 0.001 0.000 0.284 264 T C -2.265 172.441 174.700 0.010 0.000 1.004 264 T CA -2.086 59.897 62.100 -0.196 0.000 1.043 264 T CB 1.675 70.338 68.868 -0.340 0.000 1.013 264 T HN 0.313 nan 8.240 nan 0.000 0.518 265 P HA -0.075 nan 4.420 nan 0.000 0.218 265 P C 1.242 178.650 177.300 0.179 0.000 1.149 265 P CA 1.190 64.326 63.100 0.061 0.000 0.817 265 P CB -0.152 31.543 31.700 -0.009 0.000 0.785 266 H N 0.248 119.425 119.070 0.178 0.000 2.290 266 H HA -0.158 4.398 4.556 0.001 0.000 0.298 266 H C 2.007 177.466 175.328 0.219 0.000 1.087 266 H CA 1.997 58.247 56.048 0.337 0.000 1.291 266 H CB -0.475 29.477 29.762 0.317 0.000 1.369 266 H HN 0.063 nan 8.280 nan 0.000 0.492 267 Q N -0.017 119.935 119.800 0.255 0.000 2.112 267 Q HA -0.160 4.180 4.340 0.001 0.000 0.206 267 Q C 2.524 178.526 176.000 0.003 0.000 0.987 267 Q CA 1.813 57.714 55.803 0.164 0.000 0.858 267 Q CB -0.102 28.765 28.738 0.215 0.000 0.905 267 Q HN 0.516 nan 8.270 nan 0.000 0.420 268 L N -0.163 121.040 121.223 -0.034 0.000 2.201 268 L HA -0.153 4.187 4.340 0.001 0.000 0.212 268 L C 2.145 178.890 176.870 -0.207 0.000 1.105 268 L CA 0.296 55.064 54.840 -0.120 0.000 0.775 268 L CB -0.167 41.844 42.059 -0.080 0.000 0.913 268 L HN 0.247 nan 8.230 nan 0.000 0.440 269 L N -1.454 119.562 121.223 -0.344 0.000 2.162 269 L HA 0.012 4.352 4.340 0.001 0.000 0.205 269 L C 1.567 178.031 176.870 -0.677 0.000 1.086 269 L CA 1.775 56.216 54.840 -0.666 0.000 0.778 269 L CB -0.059 41.287 42.059 -1.189 0.000 0.928 269 L HN 0.058 nan 8.230 nan 0.000 0.446 270 F N -1.431 118.360 119.950 -0.264 0.000 2.746 270 F HA 0.409 4.937 4.527 0.000 0.000 0.313 270 F C 1.791 177.522 175.800 -0.114 0.000 1.095 270 F CA 0.254 58.124 58.000 -0.216 0.000 1.224 270 F CB 0.020 38.810 39.000 -0.351 0.000 1.060 270 F HN 0.030 nan 8.300 nan 0.000 0.584 271 G N 2.163 110.999 108.800 0.060 0.000 2.166 271 G HA2 -0.338 3.622 3.960 0.001 0.000 0.260 271 G HA3 -0.338 3.622 3.960 0.001 0.000 0.260 271 G C 0.047 175.017 174.900 0.117 0.000 0.986 271 G CA 0.735 45.873 45.100 0.062 0.000 0.683 271 G HN 0.453 nan 8.290 nan 0.000 0.527 272 I N -0.468 120.203 120.570 0.169 0.000 2.710 272 I HA 0.313 4.483 4.170 0.001 0.000 0.290 272 I C -1.361 174.941 176.117 0.308 0.000 1.318 272 I CA -1.027 60.384 61.300 0.185 0.000 1.045 272 I CB 1.422 39.495 38.000 0.122 0.000 1.307 272 I HN -0.097 nan 8.210 nan 0.000 0.424 273 D N 4.883 125.440 120.400 0.262 0.000 2.423 273 D HA 0.208 4.849 4.640 0.001 0.000 0.238 273 D C 0.273 176.637 176.300 0.107 0.000 1.142 273 D CA 0.396 54.508 54.000 0.188 0.000 0.884 273 D CB 1.392 42.236 40.800 0.073 0.000 1.199 273 D HN 0.585 nan 8.370 nan 0.000 0.438 274 S N 1.474 117.132 115.700 -0.072 0.000 2.623 274 S HA 0.136 4.606 4.470 0.001 0.000 0.278 274 S C 0.487 175.040 174.600 -0.078 0.000 1.148 274 S CA -0.732 57.427 58.200 -0.069 0.000 1.028 274 S CB 0.494 63.637 63.200 -0.095 0.000 1.145 274 S HN 0.322 nan 8.310 nan 0.000 0.523 275 N N 1.717 120.380 118.700 -0.061 0.000 3.103 275 N HA 0.195 4.935 4.740 0.001 0.000 0.305 275 N C -0.380 175.099 175.510 -0.052 0.000 1.232 275 N CA 0.040 53.062 53.050 -0.046 0.000 1.190 275 N CB -0.991 37.475 38.487 -0.035 0.000 1.461 275 N HN 0.747 nan 8.380 nan 0.000 0.538 276 T N -1.447 113.072 114.554 -0.058 0.000 2.930 276 T HA 0.622 4.972 4.350 0.001 0.000 0.290 276 T C -2.752 171.948 174.700 0.001 0.000 1.052 276 T CA -2.089 59.987 62.100 -0.040 0.000 1.017 276 T CB 1.282 70.106 68.868 -0.073 0.000 1.137 276 T HN -0.037 nan 8.240 nan 0.000 0.511 277 P HA 0.336 nan 4.420 nan 0.000 0.268 277 P C -0.379 177.084 177.300 0.272 0.000 1.204 277 P CA 0.055 63.215 63.100 0.100 0.000 0.768 277 P CB -0.352 31.486 31.700 0.231 0.000 0.842 278 F N -1.154 118.800 119.950 0.006 0.000 3.058 278 F HA -0.225 4.303 4.527 0.000 0.000 0.295 278 F C 0.889 176.714 175.800 0.042 0.000 0.875 278 F CA 0.264 58.280 58.000 0.026 0.000 1.150 278 F CB -2.129 36.894 39.000 0.038 0.000 1.175 278 F HN 0.329 nan 8.300 nan 0.000 0.599 279 A N 1.075 123.962 122.820 0.111 0.000 2.540 279 A HA 0.202 4.522 4.320 0.001 0.000 0.239 279 A C 0.757 178.410 177.584 0.116 0.000 1.061 279 A CA 0.138 52.229 52.037 0.090 0.000 0.758 279 A CB 0.176 19.195 19.000 0.031 0.000 0.991 279 A HN 0.500 nan 8.150 nan 0.000 0.502 280 N N 1.823 120.610 118.700 0.146 0.000 2.518 280 N HA 0.063 4.803 4.740 0.001 0.000 0.266 280 N C 0.202 175.777 175.510 0.110 0.000 1.196 280 N CA 0.180 53.320 53.050 0.151 0.000 0.947 280 N CB 0.751 39.360 38.487 0.203 0.000 1.098 280 N HN 0.738 nan 8.380 nan 0.000 0.450 281 Q N 1.188 121.042 119.800 0.089 0.000 2.164 281 Q HA 0.069 4.410 4.340 0.001 0.000 0.226 281 Q C -0.006 176.032 176.000 0.064 0.000 0.813 281 Q CA -0.339 55.503 55.803 0.066 0.000 0.978 281 Q CB 0.608 29.373 28.738 0.045 0.000 1.149 281 Q HN 0.615 nan 8.270 nan 0.000 0.489 282 D N 0.709 121.154 120.400 0.076 0.000 2.228 282 D HA -0.146 4.495 4.640 0.001 0.000 0.203 282 D C 1.530 177.869 176.300 0.065 0.000 0.988 282 D CA 1.792 55.834 54.000 0.070 0.000 0.864 282 D CB -0.060 40.791 40.800 0.084 0.000 0.928 282 D HN 0.317 nan 8.370 nan 0.000 0.469 283 T N -1.992 112.605 114.554 0.071 0.000 3.214 283 T HA 0.166 4.517 4.350 0.001 0.000 0.264 283 T C 1.473 176.203 174.700 0.049 0.000 1.012 283 T CA -0.404 61.733 62.100 0.061 0.000 0.901 283 T CB -0.053 68.857 68.868 0.070 0.000 1.070 283 T HN -0.144 nan 8.240 nan 0.000 0.561 284 L N 1.714 122.964 121.223 0.044 0.000 2.131 284 L HA 0.059 4.400 4.340 0.001 0.000 0.210 284 L C 1.462 178.349 176.870 0.029 0.000 1.092 284 L CA 1.693 56.554 54.840 0.034 0.000 0.759 284 L CB -0.376 41.700 42.059 0.029 0.000 0.903 284 L HN 0.285 nan 8.230 nan 0.000 0.435 285 D N -1.296 119.121 120.400 0.028 0.000 2.349 285 D HA 0.154 4.794 4.640 0.001 0.000 0.214 285 D C 0.628 176.942 176.300 0.024 0.000 1.063 285 D CA 0.138 54.152 54.000 0.024 0.000 0.847 285 D CB 0.350 41.162 40.800 0.021 0.000 0.933 285 D HN 0.228 nan 8.370 nan 0.000 0.513 286 L N 1.067 122.307 121.223 0.029 0.000 2.399 286 L HA 0.222 4.563 4.340 0.001 0.000 0.266 286 L C 1.208 178.094 176.870 0.026 0.000 1.114 286 L CA -0.577 54.279 54.840 0.028 0.000 0.804 286 L CB 1.093 43.172 42.059 0.033 0.000 1.146 286 L HN -0.077 nan 8.230 nan 0.000 0.451 287 T N -1.686 112.881 114.554 0.023 0.000 2.813 287 T HA 0.100 4.451 4.350 0.001 0.000 0.297 287 T C 1.006 175.721 174.700 0.024 0.000 1.036 287 T CA -0.592 61.520 62.100 0.021 0.000 1.044 287 T CB 1.223 70.102 68.868 0.017 0.000 0.993 287 T HN 0.572 nan 8.240 nan 0.000 0.535 288 R N 0.680 121.194 120.500 0.024 0.000 2.096 288 R HA -0.144 4.196 4.340 0.001 0.000 0.240 288 R C 2.273 178.589 176.300 0.026 0.000 1.139 288 R CA 2.260 58.376 56.100 0.028 0.000 0.952 288 R CB -1.119 29.196 30.300 0.026 0.000 0.854 288 R HN 0.934 nan 8.270 nan 0.000 0.436 289 E N 0.020 120.232 120.200 0.021 0.000 2.110 289 E HA -0.214 4.136 4.350 0.001 0.000 0.193 289 E C 1.655 178.265 176.600 0.018 0.000 0.988 289 E CA 1.544 57.955 56.400 0.018 0.000 0.804 289 E CB 0.001 29.710 29.700 0.014 0.000 0.745 289 E HN 0.546 nan 8.360 nan 0.000 0.458 290 E N 0.308 120.520 120.200 0.020 0.000 2.072 290 E HA -0.201 4.149 4.350 0.001 0.000 0.191 290 E C 2.050 178.664 176.600 0.024 0.000 0.985 290 E CA 0.927 57.339 56.400 0.021 0.000 0.801 290 E CB -0.033 29.680 29.700 0.022 0.000 0.750 290 E HN 0.281 nan 8.360 nan 0.000 0.452 291 E N 0.742 120.959 120.200 0.029 0.000 2.058 291 E HA -0.191 4.160 4.350 0.001 0.000 0.194 291 E C 2.036 178.652 176.600 0.027 0.000 0.997 291 E CA 0.840 57.260 56.400 0.034 0.000 0.801 291 E CB 0.014 29.739 29.700 0.042 0.000 0.746 291 E HN 0.208 nan 8.360 nan 0.000 0.450 292 L N 0.192 121.429 121.223 0.023 0.000 2.275 292 L HA -0.131 4.209 4.340 0.001 0.000 0.215 292 L C 2.598 179.471 176.870 0.006 0.000 1.119 292 L CA 0.768 55.617 54.840 0.016 0.000 0.790 292 L CB -0.272 41.798 42.059 0.018 0.000 0.919 292 L HN 0.156 nan 8.230 nan 0.000 0.443 293 S N 0.182 115.888 115.700 0.009 0.000 2.388 293 S HA -0.111 4.359 4.470 0.001 0.000 0.223 293 S C 1.877 176.479 174.600 0.004 0.000 1.034 293 S CA 0.539 58.742 58.200 0.006 0.000 0.963 293 S CB -0.054 63.151 63.200 0.009 0.000 0.827 293 S HN 0.295 nan 8.310 nan 0.000 0.481 294 L N 1.651 122.880 121.223 0.010 0.000 2.131 294 L HA 0.121 4.461 4.340 0.001 0.000 0.210 294 L C 2.089 178.951 176.870 -0.013 0.000 1.092 294 L CA 1.559 56.406 54.840 0.010 0.000 0.759 294 L CB -0.782 41.294 42.059 0.028 0.000 0.903 294 L HN 0.475 nan 8.230 nan 0.000 0.435 295 L N -0.730 120.480 121.223 -0.022 0.000 2.093 295 L HA -0.200 4.140 4.340 0.001 0.000 0.208 295 L C 2.423 179.254 176.870 -0.065 0.000 1.085 295 L CA 1.658 56.462 54.840 -0.059 0.000 0.755 295 L CB -0.571 41.462 42.059 -0.043 0.000 0.904 295 L HN 0.396 nan 8.230 nan 0.000 0.435 296 Q N -0.724 119.054 119.800 -0.036 0.000 2.124 296 Q HA -0.266 4.075 4.340 0.001 0.000 0.202 296 Q C 2.118 178.098 176.000 -0.033 0.000 0.977 296 Q CA 1.783 57.567 55.803 -0.032 0.000 0.850 296 Q CB -0.102 28.626 28.738 -0.017 0.000 0.901 296 Q HN 0.547 nan 8.270 nan 0.000 0.429 297 E N 0.883 121.067 120.200 -0.026 0.000 2.072 297 E HA -0.109 4.241 4.350 0.001 0.000 0.190 297 E C 1.627 178.209 176.600 -0.030 0.000 0.982 297 E CA 0.844 57.234 56.400 -0.017 0.000 0.803 297 E CB -0.107 29.593 29.700 -0.000 0.000 0.755 297 E HN 0.313 nan 8.360 nan 0.000 0.453 298 I N 0.221 120.750 120.570 -0.068 0.000 2.226 298 I HA -0.261 3.909 4.170 0.001 0.000 0.245 298 I C 2.458 178.491 176.117 -0.141 0.000 1.100 298 I CA 1.131 62.348 61.300 -0.138 0.000 1.374 298 I CB -0.166 37.642 38.000 -0.320 0.000 1.057 298 I HN 0.063 nan 8.210 nan 0.000 0.413 299 R N 0.070 120.497 120.500 -0.121 0.000 2.096 299 R HA -0.154 4.187 4.340 0.001 0.000 0.235 299 R C 2.342 178.616 176.300 -0.042 0.000 1.127 299 R CA 2.055 58.102 56.100 -0.089 0.000 0.968 299 R CB -0.523 29.731 30.300 -0.076 0.000 0.861 299 R HN 0.523 nan 8.270 nan 0.000 0.440 300 T N -2.146 112.390 114.554 -0.031 0.000 2.978 300 T HA -0.042 4.308 4.350 0.001 0.000 0.262 300 T C 1.722 176.423 174.700 0.002 0.000 1.063 300 T CA 0.924 63.015 62.100 -0.016 0.000 1.140 300 T CB 0.004 68.863 68.868 -0.015 0.000 0.886 300 T HN 0.195 nan 8.240 nan 0.000 0.470 301 S N 1.099 116.808 115.700 0.015 0.000 2.660 301 S HA 0.365 4.836 4.470 0.001 0.000 0.227 301 S C 0.458 175.108 174.600 0.083 0.000 0.948 301 S CA -0.757 57.469 58.200 0.044 0.000 0.948 301 S CB -0.995 62.236 63.200 0.052 0.000 0.779 301 S HN 0.479 nan 8.310 nan 0.000 0.487 302 L N 2.379 123.650 121.223 0.080 0.000 2.456 302 L HA 0.236 4.576 4.340 0.001 0.000 0.272 302 L C 0.619 177.590 176.870 0.168 0.000 1.189 302 L CA -0.852 54.072 54.840 0.140 0.000 0.846 302 L CB 0.072 42.202 42.059 0.118 0.000 1.111 302 L HN 0.390 nan 8.230 nan 0.000 0.475 303 Y N 3.789 124.144 120.300 0.091 0.000 2.805 303 Y HA -0.107 4.443 4.550 0.001 0.000 0.331 303 Y C -0.039 175.921 175.900 0.101 0.000 1.241 303 Y CA 0.427 58.574 58.100 0.078 0.000 1.546 303 Y CB -0.120 38.367 38.460 0.046 0.000 1.248 303 Y HN 0.404 nan 8.280 nan 0.000 0.559 304 H N 8.777 127.412 119.070 -0.725 0.000 2.589 304 H HA 0.339 4.895 4.556 0.001 0.000 0.335 304 H C -2.475 172.309 175.328 -0.906 0.000 1.019 304 H CA -2.260 53.385 56.048 -0.671 0.000 1.213 304 H CB 1.718 31.308 29.762 -0.286 0.000 1.472 304 H HN 0.607 nan 8.280 nan 0.000 0.508 305 P HA 0.009 nan 4.420 nan 0.000 0.269 305 P C -0.603 176.525 177.300 -0.287 0.000 1.209 305 P CA -0.271 62.489 63.100 -0.567 0.000 0.776 305 P CB 0.993 32.509 31.700 -0.307 0.000 0.876 306 S N 0.322 115.959 115.700 -0.105 0.000 2.565 306 S HA 0.257 4.727 4.470 0.001 0.000 0.290 306 S C 0.200 174.794 174.600 -0.010 0.000 1.150 306 S CA -0.728 57.458 58.200 -0.024 0.000 1.058 306 S CB 0.775 63.976 63.200 0.002 0.000 1.032 306 S HN 0.527 nan 8.310 nan 0.000 0.510 307 T N 4.279 118.835 114.554 0.004 0.000 2.777 307 T HA 0.117 4.468 4.350 0.001 0.000 0.273 307 T C -1.931 172.772 174.700 0.007 0.000 1.016 307 T CA -0.454 61.650 62.100 0.006 0.000 1.156 307 T CB -0.574 68.300 68.868 0.009 0.000 1.019 307 T HN 0.642 nan 8.240 nan 0.000 0.503 308 P HA 0.404 nan 4.420 nan 0.000 0.276 308 P C -2.735 174.570 177.300 0.009 0.000 1.252 308 P CA -1.848 61.258 63.100 0.010 0.000 0.802 308 P CB -0.449 31.257 31.700 0.010 0.000 1.035 309 P HA 0.131 nan 4.420 nan 0.000 0.268 309 P C -0.199 177.107 177.300 0.010 0.000 1.204 309 P CA 0.063 63.170 63.100 0.010 0.000 0.768 309 P CB 0.000 31.708 31.700 0.012 0.000 0.842 310 A N 3.135 125.959 122.820 0.007 0.000 2.555 310 A HA 0.319 4.640 4.320 0.001 0.000 0.233 310 A C 0.824 178.418 177.584 0.017 0.000 1.060 310 A CA 0.180 52.221 52.037 0.008 0.000 0.759 310 A CB -0.503 18.500 19.000 0.006 0.000 0.995 310 A HN 0.638 nan 8.150 nan 0.000 0.506 311 S N 0.965 116.679 115.700 0.024 0.000 2.617 311 S HA 0.310 4.780 4.470 0.001 0.000 0.269 311 S C 1.208 175.828 174.600 0.033 0.000 1.292 311 S CA 0.004 58.222 58.200 0.030 0.000 1.010 311 S CB 1.078 64.301 63.200 0.038 0.000 0.944 311 S HN 1.562 nan 8.310 nan 0.000 0.536 312 S N 1.118 116.837 115.700 0.032 0.000 2.465 312 S HA -0.069 4.401 4.470 0.001 0.000 0.241 312 S C 0.871 175.495 174.600 0.039 0.000 1.000 312 S CA 0.543 58.761 58.200 0.031 0.000 0.964 312 S CB -0.557 62.658 63.200 0.026 0.000 0.763 312 S HN 0.784 nan 8.310 nan 0.000 0.512 313 R N 1.782 122.312 120.500 0.049 0.000 2.782 313 R HA 0.286 4.627 4.340 0.001 0.000 0.293 313 R C -0.612 175.748 176.300 0.099 0.000 1.333 313 R CA -0.040 56.097 56.100 0.062 0.000 1.479 313 R CB 1.059 31.388 30.300 0.049 0.000 1.306 313 R HN 0.502 nan 8.270 nan 0.000 0.654 314 S N -0.006 115.756 115.700 0.104 0.000 2.713 314 S HA 0.593 5.064 4.470 0.001 0.000 0.283 314 S C -0.221 174.512 174.600 0.222 0.000 1.161 314 S CA -0.827 57.461 58.200 0.146 0.000 0.999 314 S CB 1.418 64.651 63.200 0.055 0.000 1.039 314 S HN 0.452 nan 8.310 nan 0.000 0.548 315 W N -0.267 121.033 121.300 0.000 0.000 2.864 315 W HA 0.764 5.424 4.660 0.000 0.000 0.343 315 W C -1.502 175.019 176.519 0.003 0.000 1.109 315 W CA -1.142 56.200 57.345 -0.005 0.000 1.192 315 W CB 0.779 30.228 29.460 -0.019 0.000 1.426 315 W HN 0.564 nan 8.180 nan 0.000 0.529 316 S N 3.645 119.314 115.700 -0.052 0.000 2.500 316 S HA 0.552 5.022 4.470 0.001 0.000 0.301 316 S C -2.294 172.259 174.600 -0.078 0.000 1.092 316 S CA -1.025 57.021 58.200 -0.257 0.000 1.030 316 S CB 2.087 65.208 63.200 -0.131 0.000 1.031 316 S HN 0.239 nan 8.310 nan 0.000 0.483 317 P HA 0.316 nan 4.420 nan 0.000 0.271 317 P C -1.136 176.208 177.300 0.073 0.000 1.218 317 P CA -0.269 62.869 63.100 0.063 0.000 0.780 317 P CB 0.612 32.297 31.700 -0.025 0.000 0.901 318 V N 3.042 123.028 119.914 0.120 0.000 2.760 318 V HA 0.119 4.239 4.120 0.001 0.000 0.309 318 V C 0.185 176.324 176.094 0.076 0.000 1.077 318 V CA -1.001 61.346 62.300 0.080 0.000 0.910 318 V CB 2.527 34.398 31.823 0.081 0.000 1.008 318 V HN 0.295 nan 8.190 nan 0.000 0.424 319 V N 4.602 124.550 119.914 0.055 0.000 2.617 319 V HA 0.358 4.479 4.120 0.001 0.000 0.304 319 V C 1.522 177.648 176.094 0.053 0.000 1.040 319 V CA 1.865 64.197 62.300 0.052 0.000 1.149 319 V CB 0.216 32.063 31.823 0.039 0.000 0.914 319 V HN 1.398 nan 8.190 nan 0.000 0.487 320 G N 3.100 111.935 108.800 0.058 0.000 2.225 320 G HA2 -0.286 3.674 3.960 0.001 0.000 0.254 320 G HA3 -0.286 3.674 3.960 0.001 0.000 0.254 320 G C 0.367 175.300 174.900 0.055 0.000 0.988 320 G CA 0.402 45.536 45.100 0.056 0.000 0.625 320 G HN 0.787 nan 8.290 nan 0.000 0.527 321 Q N 0.384 120.219 119.800 0.059 0.000 2.349 321 Q HA 0.432 4.772 4.340 0.001 0.000 0.287 321 Q C 0.523 176.539 176.000 0.028 0.000 1.044 321 Q CA -0.114 55.718 55.803 0.048 0.000 0.918 321 Q CB 0.207 28.996 28.738 0.085 0.000 1.242 321 Q HN 0.469 nan 8.270 nan 0.000 0.405 322 L N 5.052 126.268 121.223 -0.012 0.000 2.319 322 L HA 0.358 4.698 4.340 0.001 0.000 0.280 322 L C -0.204 176.607 176.870 -0.099 0.000 1.099 322 L CA -0.506 54.302 54.840 -0.052 0.000 0.828 322 L CB 0.697 42.719 42.059 -0.062 0.000 1.150 322 L HN 0.508 nan 8.230 nan 0.000 0.442 323 V N 1.116 120.974 119.914 -0.093 0.000 3.159 323 V HA 0.593 4.713 4.120 0.001 0.000 0.308 323 V C -1.052 174.996 176.094 -0.077 0.000 1.190 323 V CA -0.886 61.346 62.300 -0.114 0.000 1.037 323 V CB 2.172 34.004 31.823 0.016 0.000 1.060 323 V HN 0.767 nan 8.190 nan 0.000 0.437 324 Q N 0.789 120.548 119.800 -0.069 0.000 2.337 324 Q HA 0.483 4.823 4.340 0.001 0.000 0.270 324 Q C -1.058 175.134 176.000 0.320 0.000 1.043 324 Q CA -0.437 55.412 55.803 0.076 0.000 0.794 324 Q CB 3.016 31.752 28.738 -0.004 0.000 1.281 324 Q HN 0.906 nan 8.270 nan 0.000 0.446 325 E N 2.298 122.719 120.200 0.368 0.000 2.313 325 E HA 0.139 4.490 4.350 0.001 0.000 0.276 325 E C -0.570 176.301 176.600 0.451 0.000 1.031 325 E CA -0.521 56.126 56.400 0.412 0.000 0.857 325 E CB 0.879 30.763 29.700 0.307 0.000 1.040 325 E HN 0.395 nan 8.360 nan 0.000 0.408 326 R N 3.231 123.843 120.500 0.186 0.000 2.537 326 R HA 0.074 4.414 4.340 0.001 0.000 0.280 326 R C -0.876 175.241 176.300 -0.304 0.000 1.058 326 R CA -0.465 55.359 56.100 -0.461 0.000 1.057 326 R CB 0.551 30.469 30.300 -0.636 0.000 0.973 326 R HN 0.301 nan 8.270 nan 0.000 0.438 327 V N 5.629 125.221 119.914 -0.537 0.000 2.585 327 V HA 0.001 4.121 4.120 0.001 0.000 0.296 327 V C 1.523 177.391 176.094 -0.376 0.000 1.035 327 V CA 0.749 62.746 62.300 -0.505 0.000 1.084 327 V CB 0.569 32.061 31.823 -0.551 0.000 0.953 327 V HN 1.102 nan 8.190 nan 0.000 0.483 328 A N 5.082 127.712 122.820 -0.317 0.000 1.835 328 A HA 0.035 4.355 4.320 0.001 0.000 0.215 328 A C 1.700 179.027 177.584 -0.429 0.000 1.199 328 A CA 1.926 53.620 52.037 -0.571 0.000 0.615 328 A CB -0.298 18.256 19.000 -0.742 0.000 0.838 328 A HN 1.102 nan 8.150 nan 0.000 0.444 329 R N 0.878 121.216 120.500 -0.268 0.000 2.564 329 R HA 0.537 4.878 4.340 0.001 0.000 0.282 329 R C -2.841 173.375 176.300 -0.140 0.000 1.573 329 R CA -1.256 54.739 56.100 -0.176 0.000 1.588 329 R CB -0.938 29.299 30.300 -0.105 0.000 1.154 329 R HN 0.584 nan 8.270 nan 0.000 0.606 330 P HA 0.430 nan 4.420 nan 0.000 0.276 330 P C -0.038 177.202 177.300 -0.101 0.000 1.235 330 P CA -0.128 62.883 63.100 -0.149 0.000 0.772 330 P CB 1.664 33.249 31.700 -0.190 0.000 0.871 331 A N 3.032 125.806 122.820 -0.077 0.000 2.386 331 A HA 0.222 4.543 4.320 0.001 0.000 0.246 331 A C 0.775 178.328 177.584 -0.052 0.000 1.089 331 A CA -0.199 51.806 52.037 -0.054 0.000 0.790 331 A CB -0.330 18.647 19.000 -0.039 0.000 1.042 331 A HN 0.599 nan 8.150 nan 0.000 0.497 332 S N -0.155 115.521 115.700 -0.039 0.000 2.546 332 S HA 0.236 4.706 4.470 0.001 0.000 0.290 332 S C 0.688 175.269 174.600 -0.032 0.000 1.290 332 S CA 0.498 58.678 58.200 -0.034 0.000 1.069 332 S CB -0.897 62.288 63.200 -0.025 0.000 0.846 332 S HN 1.214 nan 8.310 nan 0.000 0.495 333 L N 2.025 123.230 121.223 -0.032 0.000 4.040 333 L HA -0.201 4.140 4.340 0.001 0.000 0.410 333 L C 0.198 177.048 176.870 -0.033 0.000 1.187 333 L CA 0.415 55.238 54.840 -0.028 0.000 0.956 333 L CB -1.368 40.678 42.059 -0.021 0.000 2.022 333 L HN 0.604 nan 8.230 nan 0.000 0.897 334 R N -0.411 120.063 120.500 -0.044 0.000 2.854 334 R HA 0.653 4.993 4.340 0.001 0.000 0.271 334 R C -2.239 174.024 176.300 -0.062 0.000 0.996 334 R CA -2.083 53.988 56.100 -0.049 0.000 0.961 334 R CB 0.694 30.961 30.300 -0.054 0.000 1.182 334 R HN -0.254 nan 8.270 nan 0.000 0.479 335 P HA 0.182 nan 4.420 nan 0.000 0.269 335 P C 0.294 177.516 177.300 -0.131 0.000 1.209 335 P CA -0.173 62.899 63.100 -0.046 0.000 0.776 335 P CB 0.673 32.366 31.700 -0.012 0.000 0.876 336 R N 0.529 120.935 120.500 -0.157 0.000 2.300 336 R HA 0.185 4.526 4.340 0.001 0.000 0.199 336 R C -0.491 175.369 176.300 -0.732 0.000 0.920 336 R CA 0.251 56.093 56.100 -0.431 0.000 1.046 336 R CB -0.146 29.886 30.300 -0.446 0.000 0.984 336 R HN 0.549 nan 8.270 nan 0.000 0.493 337 W N -0.442 120.766 121.300 -0.154 0.000 2.844 337 W HA 0.388 5.049 4.660 0.001 0.000 0.340 337 W C 0.334 176.741 176.519 -0.186 0.000 1.093 337 W CA -0.850 56.406 57.345 -0.149 0.000 1.212 337 W CB 0.743 30.160 29.460 -0.073 0.000 1.422 337 W HN -0.061 nan 8.180 nan 0.000 0.515 338 H N 1.306 120.509 119.070 0.222 0.000 2.597 338 H HA 0.229 4.785 4.556 0.001 0.000 0.370 338 H C 0.180 175.571 175.328 0.104 0.000 1.281 338 H CA -0.144 55.977 56.048 0.122 0.000 1.422 338 H CB 0.796 30.612 29.762 0.090 0.000 1.524 338 H HN 0.176 nan 8.280 nan 0.000 0.607 339 K N 1.528 122.053 120.400 0.208 0.000 2.336 339 K HA 0.084 4.405 4.320 0.001 0.000 0.262 339 K C -2.181 174.434 176.600 0.026 0.000 0.992 339 K CA -1.118 55.224 56.287 0.093 0.000 0.927 339 K CB -0.347 32.198 32.500 0.075 0.000 0.956 339 K HN 0.347 nan 8.250 nan 0.000 0.495 340 P HA -0.040 nan 4.420 nan 0.000 0.268 340 P C -0.879 176.217 177.300 -0.340 0.000 1.208 340 P CA 0.080 63.102 63.100 -0.130 0.000 0.777 340 P CB 0.853 32.486 31.700 -0.111 0.000 0.875 341 S N -0.003 115.486 115.700 -0.353 0.000 2.671 341 S HA 0.721 5.191 4.470 0.001 0.000 0.277 341 S C -0.962 173.495 174.600 -0.237 0.000 1.165 341 S CA -0.685 57.176 58.200 -0.565 0.000 0.822 341 S CB 1.184 64.232 63.200 -0.253 0.000 1.150 341 S HN 0.258 nan 8.310 nan 0.000 0.479 342 T N 1.318 115.846 114.554 -0.043 0.000 2.823 342 T HA 0.530 4.881 4.350 0.001 0.000 0.279 342 T C -0.446 174.307 174.700 0.088 0.000 0.998 342 T CA -0.578 61.574 62.100 0.087 0.000 0.994 342 T CB 1.436 70.432 68.868 0.213 0.000 0.960 342 T HN 0.603 nan 8.240 nan 0.000 0.448 343 V N 4.938 124.901 119.914 0.081 0.000 2.403 343 V HA 0.076 4.197 4.120 0.001 0.000 0.265 343 V C 1.370 177.509 176.094 0.074 0.000 1.034 343 V CA 0.233 62.584 62.300 0.084 0.000 1.036 343 V CB -0.436 31.445 31.823 0.097 0.000 1.032 343 V HN 0.812 nan 8.190 nan 0.000 0.478 344 L N 3.442 124.707 121.223 0.069 0.000 2.068 344 L HA 0.137 4.478 4.340 0.001 0.000 0.204 344 L C 1.218 178.116 176.870 0.047 0.000 1.076 344 L CA 1.250 56.124 54.840 0.057 0.000 0.753 344 L CB -0.039 42.053 42.059 0.054 0.000 0.910 344 L HN 0.503 nan 8.230 nan 0.000 0.439 345 K N -0.264 120.164 120.400 0.047 0.000 2.501 345 K HA 0.351 4.671 4.320 0.001 0.000 0.252 345 K C -1.378 175.244 176.600 0.036 0.000 0.934 345 K CA -0.514 55.795 56.287 0.038 0.000 0.797 345 K CB 2.612 35.132 32.500 0.034 0.000 1.270 345 K HN -0.314 nan 8.250 nan 0.000 0.431 346 V N 6.919 126.849 119.914 0.028 0.000 2.267 346 V HA 0.078 4.198 4.120 0.001 0.000 0.254 346 V C 1.498 177.600 176.094 0.013 0.000 1.144 346 V CA -0.125 62.185 62.300 0.017 0.000 0.992 346 V CB 0.151 31.980 31.823 0.010 0.000 1.199 346 V HN 0.845 nan 8.190 nan 0.000 0.493 347 L N 2.959 124.192 121.223 0.016 0.000 2.012 347 L HA -0.112 4.228 4.340 0.001 0.000 0.210 347 L C 1.042 177.919 176.870 0.012 0.000 1.073 347 L CA 1.596 56.447 54.840 0.019 0.000 0.748 347 L CB -0.227 41.849 42.059 0.028 0.000 0.891 347 L HN 0.926 nan 8.230 nan 0.000 0.431 348 N N -3.931 114.770 118.700 0.002 0.000 3.020 348 N HA 0.234 4.974 4.740 0.001 0.000 0.248 348 N C -2.575 172.917 175.510 -0.031 0.000 1.480 348 N CA -1.608 51.438 53.050 -0.007 0.000 0.874 348 N CB 0.465 38.954 38.487 0.004 0.000 1.433 348 N HN -0.385 nan 8.380 nan 0.000 0.530 349 P HA 0.012 nan 4.420 nan 0.000 0.231 349 P C 0.253 177.478 177.300 -0.125 0.000 1.158 349 P CA 0.897 63.949 63.100 -0.081 0.000 0.763 349 P CB 0.198 31.855 31.700 -0.071 0.000 0.805 350 R N -1.789 118.658 120.500 -0.089 0.000 2.437 350 R HA 0.254 4.595 4.340 0.001 0.000 0.257 350 R C -0.057 176.187 176.300 -0.094 0.000 0.927 350 R CA 0.463 56.499 56.100 -0.107 0.000 1.078 350 R CB 0.501 30.765 30.300 -0.060 0.000 1.161 350 R HN 0.145 nan 8.270 nan 0.000 0.529 351 T N 0.975 115.493 114.554 -0.059 0.000 2.916 351 T HA 0.452 4.803 4.350 0.001 0.000 0.298 351 T C -0.517 174.179 174.700 -0.007 0.000 1.031 351 T CA -0.690 61.392 62.100 -0.029 0.000 0.993 351 T CB 2.513 71.382 68.868 0.002 0.000 1.045 351 T HN 0.006 nan 8.240 nan 0.000 0.454 352 V N -0.219 119.703 119.914 0.014 0.000 3.078 352 V HA 0.917 5.038 4.120 0.001 0.000 0.311 352 V C -1.005 175.118 176.094 0.049 0.000 1.138 352 V CA -1.021 61.300 62.300 0.035 0.000 1.007 352 V CB 1.897 33.751 31.823 0.052 0.000 1.045 352 V HN 0.665 nan 8.190 nan 0.000 0.432 353 V N 4.214 124.159 119.914 0.051 0.000 2.427 353 V HA 0.602 4.722 4.120 0.001 0.000 0.286 353 V C 0.126 176.259 176.094 0.064 0.000 1.034 353 V CA -0.213 62.120 62.300 0.055 0.000 0.893 353 V CB 1.005 32.858 31.823 0.049 0.000 0.982 353 V HN 0.966 nan 8.190 nan 0.000 0.452 354 I N 2.602 123.213 120.570 0.069 0.000 2.740 354 I HA 0.669 4.840 4.170 0.001 0.000 0.303 354 I C -0.799 175.365 176.117 0.079 0.000 1.044 354 I CA -1.155 60.191 61.300 0.076 0.000 1.064 354 I CB 1.916 39.961 38.000 0.075 0.000 1.249 354 I HN 0.438 nan 8.210 nan 0.000 0.433 355 L N 4.574 125.863 121.223 0.109 0.000 2.282 355 L HA 0.323 4.664 4.340 0.001 0.000 0.287 355 L C 0.352 177.342 176.870 0.200 0.000 1.075 355 L CA 0.080 55.007 54.840 0.146 0.000 0.839 355 L CB 0.027 42.185 42.059 0.166 0.000 1.219 355 L HN 0.800 nan 8.230 nan 0.000 0.434 356 D N 2.457 122.924 120.400 0.111 0.000 2.396 356 D HA -0.100 4.540 4.640 0.001 0.000 0.255 356 D C 0.685 177.065 176.300 0.132 0.000 1.224 356 D CA 0.261 54.299 54.000 0.063 0.000 0.894 356 D CB -0.693 40.101 40.800 -0.010 0.000 0.939 356 D HN 0.803 nan 8.370 nan 0.000 0.506 357 H N -1.528 117.544 119.070 0.003 0.000 2.932 357 H HA -0.201 4.355 4.556 0.001 0.000 0.290 357 H C 0.888 176.217 175.328 0.002 0.000 1.108 357 H CA 0.571 56.623 56.048 0.006 0.000 1.172 357 H CB -0.969 28.801 29.762 0.014 0.000 1.325 357 H HN 0.376 nan 8.280 nan 0.000 0.354 358 L N -0.496 120.779 121.223 0.086 0.000 2.162 358 L HA 0.097 4.438 4.340 0.001 0.000 0.205 358 L C 1.637 178.517 176.870 0.016 0.000 1.086 358 L CA 1.100 55.963 54.840 0.038 0.000 0.778 358 L CB 0.318 42.389 42.059 0.020 0.000 0.928 358 L HN 0.245 nan 8.230 nan 0.000 0.446 359 G N -0.211 108.596 108.800 0.011 0.000 2.557 359 G HA2 0.450 4.410 3.960 0.001 0.000 0.310 359 G HA3 0.450 4.410 3.960 0.001 0.000 0.310 359 G C -1.161 173.755 174.900 0.028 0.000 1.328 359 G CA -0.429 44.691 45.100 0.032 0.000 0.945 359 G HN -0.015 nan 8.290 nan 0.000 0.494 360 N N 0.933 119.652 118.700 0.031 0.000 2.466 360 N HA 0.313 5.053 4.740 0.001 0.000 0.294 360 N C -0.418 175.114 175.510 0.035 0.000 1.129 360 N CA -0.849 52.216 53.050 0.025 0.000 0.931 360 N CB 0.965 39.460 38.487 0.013 0.000 1.193 360 N HN 0.329 nan 8.380 nan 0.000 0.500 361 N N 0.810 119.529 118.700 0.032 0.000 2.470 361 N HA 0.222 4.963 4.740 0.001 0.000 0.268 361 N C -0.582 174.949 175.510 0.034 0.000 1.136 361 N CA 0.135 53.207 53.050 0.037 0.000 0.961 361 N CB 0.532 39.039 38.487 0.033 0.000 1.067 361 N HN 0.260 nan 8.380 nan 0.000 0.468 362 R N 0.881 121.406 120.500 0.042 0.000 2.621 362 R HA 0.437 4.777 4.340 0.001 0.000 0.292 362 R C -0.783 175.549 176.300 0.053 0.000 0.969 362 R CA -0.680 55.446 56.100 0.043 0.000 0.887 362 R CB 1.673 32.000 30.300 0.045 0.000 1.180 362 R HN 0.403 nan 8.270 nan 0.000 0.450 363 T N 2.233 116.818 114.554 0.052 0.000 2.799 363 T HA 0.441 4.791 4.350 0.001 0.000 0.286 363 T C -0.625 174.113 174.700 0.063 0.000 0.973 363 T CA -0.352 61.782 62.100 0.057 0.000 1.035 363 T CB 1.251 70.155 68.868 0.059 0.000 0.932 363 T HN 0.122 nan 8.240 nan 0.000 0.469 364 V N 2.174 122.124 119.914 0.059 0.000 3.012 364 V HA 0.535 4.655 4.120 0.001 0.000 0.307 364 V C -0.165 175.941 176.094 0.020 0.000 1.166 364 V CA -0.915 61.424 62.300 0.065 0.000 0.974 364 V CB 2.604 34.485 31.823 0.097 0.000 1.040 364 V HN 0.904 nan 8.190 nan 0.000 0.428 365 S N 3.242 118.920 115.700 -0.035 0.000 2.584 365 S HA 0.329 4.799 4.470 0.001 0.000 0.273 365 S C 1.328 175.897 174.600 -0.052 0.000 1.311 365 S CA -0.061 58.034 58.200 -0.174 0.000 1.034 365 S CB 0.769 63.607 63.200 -0.603 0.000 0.939 365 S HN 0.758 nan 8.310 nan 0.000 0.513 366 I N 0.851 121.378 120.570 -0.072 0.000 2.567 366 I HA -0.017 4.153 4.170 0.001 0.000 0.257 366 I C 1.062 177.271 176.117 0.153 0.000 1.184 366 I CA 1.224 62.531 61.300 0.011 0.000 1.451 366 I CB -0.329 37.509 38.000 -0.271 0.000 1.089 366 I HN 0.424 nan 8.210 nan 0.000 0.441 367 D N 1.958 122.414 120.400 0.094 0.000 2.263 367 D HA -0.111 4.529 4.640 0.001 0.000 0.208 367 D C 1.110 177.570 176.300 0.267 0.000 0.971 367 D CA 0.935 55.063 54.000 0.213 0.000 0.867 367 D CB -0.280 40.700 40.800 0.301 0.000 0.929 367 D HN 0.498 nan 8.370 nan 0.000 0.492 368 N N 0.091 118.932 118.700 0.235 0.000 2.279 368 N HA 0.137 4.877 4.740 0.001 0.000 0.226 368 N C -0.234 175.509 175.510 0.388 0.000 1.126 368 N CA 0.050 53.255 53.050 0.258 0.000 0.846 368 N CB 1.130 39.736 38.487 0.198 0.000 1.050 368 N HN 0.199 nan 8.380 nan 0.000 0.502 369 L N 0.772 122.275 121.223 0.467 0.000 2.381 369 L HA 0.452 4.793 4.340 0.001 0.000 0.268 369 L C -0.194 176.910 176.870 0.391 0.000 0.997 369 L CA -0.946 54.191 54.840 0.496 0.000 0.818 369 L CB 2.308 44.668 42.059 0.502 0.000 1.310 369 L HN -0.007 nan 8.230 nan 0.000 0.416 370 K N 2.029 122.369 120.400 -0.100 0.000 2.259 370 K HA 0.663 4.983 4.320 0.001 0.000 0.249 370 K C -2.842 173.281 176.600 -0.794 0.000 0.942 370 K CA -1.949 53.979 56.287 -0.598 0.000 0.816 370 K CB 1.953 33.847 32.500 -1.009 0.000 1.155 370 K HN 0.119 nan 8.250 nan 0.000 0.428 371 P HA 0.024 nan 4.420 nan 0.000 0.276 371 P C -0.621 176.327 177.300 -0.586 0.000 1.235 371 P CA -0.167 62.378 63.100 -0.925 0.000 0.772 371 P CB 0.817 31.888 31.700 -1.048 0.000 0.871 372 T N 2.436 116.750 114.554 -0.400 0.000 2.934 372 T HA 0.086 4.436 4.350 0.001 0.000 0.306 372 T C 0.807 175.319 174.700 -0.313 0.000 1.042 372 T CA 0.497 62.408 62.100 -0.315 0.000 1.145 372 T CB -0.107 68.639 68.868 -0.203 0.000 0.982 372 T HN 0.298 nan 8.240 nan 0.000 0.544 373 S N 2.213 117.703 115.700 -0.350 0.000 2.632 373 S HA 0.222 4.692 4.470 0.001 0.000 0.271 373 S C 0.377 174.714 174.600 -0.439 0.000 1.260 373 S CA -0.700 57.183 58.200 -0.528 0.000 1.010 373 S CB 0.210 62.939 63.200 -0.785 0.000 0.965 373 S HN 0.957 nan 8.310 nan 0.000 0.534 374 H N 0.710 119.720 119.070 -0.099 0.000 2.839 374 H HA -0.153 4.403 4.556 0.001 0.000 0.298 374 H C 0.244 175.531 175.328 -0.067 0.000 1.224 374 H CA 0.891 56.894 56.048 -0.076 0.000 1.144 374 H CB -2.337 27.380 29.762 -0.075 0.000 1.372 374 H HN 0.792 nan 8.280 nan 0.000 0.408 375 Q N 0.000 119.783 119.800 -0.028 0.000 2.315 375 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 375 Q CA 0.000 55.787 55.803 -0.027 0.000 1.022 375 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481