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 1jly_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGLPVIMCLK SNNHQKYLRY QSDNIQQYGL LQFSADKILD PLAQFEVEPS DATA SEQUENCE KTYDGLVHIK SRYTNKYLVR WSPNHYWITA SANEPDENKS NWACTLFKPL DATA SEQUENCE YVEEGNMKKV RLLHVQLGHY TQNYTVGGSF VSYLFAESSQ IDTGSKDVFH DATA SEQUENCE VIDWKSIFQF PKGYVTFKGN NGKYLGVITI NQLPCLQFGY DNLNDPKVAH DATA SEQUENCE QMFVTSNGTI CIKSNYMNKF WRLSTDDWIL VDGNDPRETN EAAALFRSDV DATA SEQUENCE HDFNVISLLN MQKTWFIKRF TSGKPGFINC MNAATQNVDE TAILEIIEL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.721 177.584 0.228 0.000 1.274 1 A CA 0.000 52.130 52.037 0.155 0.000 0.836 1 A CB 0.000 19.084 19.000 0.141 0.000 0.831 2 G N -0.790 108.119 108.800 0.180 0.000 2.194 2 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.236 2 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.236 2 G C 0.130 175.158 174.900 0.213 0.000 0.987 2 G CA 0.293 45.494 45.100 0.168 0.000 0.635 2 G HN 0.867 nan 8.290 nan 0.000 0.520 3 L N 1.341 122.699 121.223 0.226 0.000 2.360 3 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 3 L C -1.656 175.309 176.870 0.159 0.000 1.057 3 L CA -2.177 52.787 54.840 0.207 0.000 0.803 3 L CB 1.057 43.228 42.059 0.186 0.000 1.207 3 L HN -0.089 nan 8.230 nan 0.000 0.445 4 P HA 0.056 nan 4.420 nan 0.000 0.272 4 P C 0.776 178.163 177.300 0.145 0.000 1.223 4 P CA -0.497 62.693 63.100 0.150 0.000 0.784 4 P CB 0.806 32.611 31.700 0.174 0.000 0.923 5 V N 1.696 121.690 119.914 0.134 0.000 2.332 5 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 5 V C 1.165 177.338 176.094 0.132 0.000 1.055 5 V CA 1.648 64.023 62.300 0.125 0.000 1.038 5 V CB -0.623 31.266 31.823 0.111 0.000 0.651 5 V HN 0.443 nan 8.190 nan 0.000 0.450 6 I N 0.754 121.422 120.570 0.162 0.000 2.466 6 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 6 I C -0.402 175.841 176.117 0.210 0.000 1.026 6 I CA -0.219 61.180 61.300 0.164 0.000 1.078 6 I CB 1.660 39.784 38.000 0.207 0.000 1.249 6 I HN 0.249 nan 8.210 nan 0.000 0.429 7 M N 4.799 124.506 119.600 0.177 0.000 2.716 7 M HA 0.767 5.247 4.480 -0.000 0.000 0.278 7 M C -1.760 174.664 176.300 0.206 0.000 1.281 7 M CA -0.497 54.931 55.300 0.214 0.000 0.814 7 M CB 2.526 35.244 32.600 0.196 0.000 1.719 7 M HN 0.446 nan 8.290 nan 0.000 0.457 8 C N 1.402 120.847 119.300 0.242 0.000 2.563 8 C HA 0.811 5.271 4.460 -0.000 0.000 0.314 8 C C -0.710 174.470 174.990 0.318 0.000 1.199 8 C CA -0.719 58.458 59.018 0.264 0.000 1.564 8 C CB 1.649 29.509 27.740 0.201 0.000 2.173 8 C HN 0.792 nan 8.230 nan 0.000 0.485 9 L N 2.777 124.176 121.223 0.293 0.000 2.333 9 L HA 0.582 4.922 4.340 -0.000 0.000 0.280 9 L C -0.144 176.949 176.870 0.372 0.000 1.004 9 L CA -0.296 54.690 54.840 0.245 0.000 0.820 9 L CB 1.293 43.322 42.059 -0.050 0.000 1.247 9 L HN 0.598 nan 8.230 nan 0.000 0.416 10 K N 1.683 122.283 120.400 0.333 0.000 2.221 10 K HA 0.461 4.781 4.320 -0.000 0.000 0.258 10 K C -0.664 176.063 176.600 0.213 0.000 0.944 10 K CA -0.402 55.958 56.287 0.120 0.000 0.823 10 K CB 1.953 34.379 32.500 -0.124 0.000 1.113 10 K HN 0.493 nan 8.250 nan 0.000 0.431 11 S N 2.459 118.239 115.700 0.134 0.000 2.422 11 S HA 0.079 4.549 4.470 -0.000 0.000 0.298 11 S C 0.783 175.387 174.600 0.008 0.000 1.118 11 S CA -0.586 57.574 58.200 -0.066 0.000 1.083 11 S CB 0.209 63.102 63.200 -0.512 0.000 0.971 11 S HN 0.793 nan 8.310 nan 0.000 0.478 12 N N 5.075 123.734 118.700 -0.068 0.000 2.223 12 N HA -0.218 4.522 4.740 -0.000 0.000 0.185 12 N C 1.466 176.979 175.510 0.006 0.000 1.016 12 N CA 1.597 54.654 53.050 0.012 0.000 0.863 12 N CB -0.466 38.004 38.487 -0.029 0.000 0.983 12 N HN 0.671 nan 8.380 nan 0.000 0.429 13 N N 0.454 119.116 118.700 -0.063 0.000 2.272 13 N HA -0.256 4.484 4.740 -0.000 0.000 0.185 13 N C 0.695 176.238 175.510 0.056 0.000 1.014 13 N CA 1.624 54.634 53.050 -0.067 0.000 0.870 13 N CB -0.036 38.336 38.487 -0.192 0.000 0.975 13 N HN 0.724 nan 8.380 nan 0.000 0.433 14 H N -2.601 116.421 119.070 -0.079 0.000 3.474 14 H HA 0.229 4.785 4.556 -0.000 0.000 0.259 14 H C -0.419 174.893 175.328 -0.027 0.000 1.164 14 H CA 0.029 56.052 56.048 -0.042 0.000 1.078 14 H CB -0.587 29.157 29.762 -0.031 0.000 1.957 14 H HN 0.032 nan 8.280 nan 0.000 0.765 15 Q N 0.362 120.169 119.800 0.013 0.000 2.481 15 Q HA -0.163 4.177 4.340 -0.000 0.000 0.258 15 Q C -0.468 175.367 176.000 -0.275 0.000 0.961 15 Q CA 1.047 56.781 55.803 -0.116 0.000 1.121 15 Q CB -1.751 26.944 28.738 -0.072 0.000 1.503 15 Q HN 0.586 nan 8.270 nan 0.000 0.544 16 K N 0.131 120.292 120.400 -0.399 0.000 2.166 16 K HA 0.586 4.906 4.320 -0.000 0.000 0.245 16 K C -0.013 176.562 176.600 -0.040 0.000 0.967 16 K CA -0.743 55.389 56.287 -0.258 0.000 0.863 16 K CB 0.680 32.974 32.500 -0.345 0.000 1.107 16 K HN -0.044 nan 8.250 nan 0.000 0.436 17 Y N 0.409 120.813 120.300 0.174 0.000 2.334 17 Y HA 0.230 4.780 4.550 -0.000 0.000 0.328 17 Y C 0.503 176.444 175.900 0.068 0.000 1.130 17 Y CA -0.876 57.335 58.100 0.185 0.000 1.163 17 Y CB 0.911 39.440 38.460 0.115 0.000 1.207 17 Y HN 0.330 nan 8.280 nan 0.000 0.471 18 L N 4.958 126.200 121.223 0.032 0.000 2.410 18 L HA 0.347 4.687 4.340 -0.000 0.000 0.273 18 L C -0.410 176.474 176.870 0.023 0.000 1.152 18 L CA 0.015 54.600 54.840 -0.425 0.000 0.855 18 L CB -0.017 41.540 42.059 -0.837 0.000 1.129 18 L HN 0.797 nan 8.230 nan 0.000 0.463 19 R N 3.301 123.797 120.500 -0.008 0.000 2.740 19 R HA 0.380 4.720 4.340 -0.000 0.000 0.273 19 R C -1.386 174.970 176.300 0.094 0.000 0.998 19 R CA -0.926 55.218 56.100 0.073 0.000 0.900 19 R CB 0.488 30.787 30.300 -0.001 0.000 1.223 19 R HN 0.454 nan 8.270 nan 0.000 0.466 20 Y N 1.597 121.875 120.300 -0.037 0.000 2.610 20 Y HA 0.046 4.596 4.550 -0.000 0.000 0.332 20 Y C 0.010 175.871 175.900 -0.065 0.000 1.201 20 Y CA 0.380 58.460 58.100 -0.032 0.000 1.465 20 Y CB 0.944 39.378 38.460 -0.043 0.000 1.283 20 Y HN 0.708 nan 8.280 nan 0.000 0.563 21 Q N 3.737 123.233 119.800 -0.507 0.000 2.389 21 Q HA 0.191 4.531 4.340 -0.000 0.000 0.244 21 Q C 0.142 175.854 176.000 -0.479 0.000 1.056 21 Q CA 0.383 55.982 55.803 -0.339 0.000 0.908 21 Q CB 0.555 29.189 28.738 -0.174 0.000 1.273 21 Q HN 0.704 nan 8.270 nan 0.000 0.471 22 S N 1.298 116.959 115.700 -0.065 0.000 2.535 22 S HA 0.153 4.623 4.470 -0.000 0.000 0.214 22 S C 0.127 174.921 174.600 0.324 0.000 0.980 22 S CA -0.352 57.977 58.200 0.214 0.000 0.907 22 S CB 0.167 63.555 63.200 0.314 0.000 0.790 22 S HN 0.549 nan 8.310 nan 0.000 0.510 23 D N 3.063 123.570 120.400 0.178 0.000 2.400 23 D HA 0.170 4.810 4.640 -0.000 0.000 0.238 23 D C -0.293 176.146 176.300 0.231 0.000 1.157 23 D CA 0.328 54.423 54.000 0.158 0.000 0.889 23 D CB 0.141 40.989 40.800 0.080 0.000 1.199 23 D HN 0.365 nan 8.370 nan 0.000 0.436 24 N N 1.081 119.857 118.700 0.127 0.000 3.124 24 N HA 0.220 4.960 4.740 -0.000 0.000 0.284 24 N C -0.427 175.113 175.510 0.050 0.000 1.209 24 N CA -0.214 52.874 53.050 0.064 0.000 1.149 24 N CB -0.153 38.334 38.487 -0.000 0.000 1.434 24 N HN 0.333 nan 8.380 nan 0.000 0.529 25 I N -3.640 116.981 120.570 0.084 0.000 3.239 25 I HA 0.262 4.432 4.170 -0.000 0.000 0.314 25 I C 1.272 177.408 176.117 0.032 0.000 1.126 25 I CA -1.045 60.270 61.300 0.025 0.000 0.973 25 I CB 1.793 39.785 38.000 -0.015 0.000 1.252 25 I HN 0.060 nan 8.210 nan 0.000 0.463 26 Q N 0.837 120.620 119.800 -0.028 0.000 2.173 26 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 26 Q C 1.286 177.310 176.000 0.040 0.000 0.989 26 Q CA 2.428 58.232 55.803 0.002 0.000 0.872 26 Q CB 0.027 28.721 28.738 -0.073 0.000 0.909 26 Q HN 0.768 nan 8.270 nan 0.000 0.420 27 Q N -0.527 119.144 119.800 -0.215 0.000 2.365 27 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 27 Q C -0.702 175.161 176.000 -0.229 0.000 0.929 27 Q CA -0.069 55.468 55.803 -0.443 0.000 0.948 27 Q CB -0.122 28.081 28.738 -0.890 0.000 1.043 27 Q HN 0.372 nan 8.270 nan 0.000 0.505 28 Y N 0.336 120.577 120.300 -0.097 0.000 2.895 28 Y HA 0.105 4.655 4.550 -0.000 0.000 0.334 28 Y C 1.550 177.390 175.900 -0.099 0.000 1.261 28 Y CA 1.719 59.773 58.100 -0.077 0.000 1.560 28 Y CB 0.114 38.584 38.460 0.017 0.000 1.253 28 Y HN 0.350 nan 8.280 nan 0.000 0.582 29 G N 4.215 112.251 108.800 -1.272 0.000 2.299 29 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 29 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 29 G C 0.102 174.676 174.900 -0.542 0.000 1.027 29 G CA 0.146 44.711 45.100 -0.892 0.000 0.619 29 G HN 0.744 nan 8.290 nan 0.000 0.513 30 L N 0.816 121.766 121.223 -0.455 0.000 2.476 30 L HA 0.545 4.885 4.340 -0.000 0.000 0.255 30 L C 0.853 177.676 176.870 -0.080 0.000 1.218 30 L CA -0.506 54.169 54.840 -0.276 0.000 0.819 30 L CB 0.572 42.346 42.059 -0.476 0.000 1.119 30 L HN 0.108 nan 8.230 nan 0.000 0.485 31 L N 1.863 123.140 121.223 0.090 0.000 2.287 31 L HA 0.423 4.763 4.340 -0.000 0.000 0.287 31 L C -0.256 176.567 176.870 -0.079 0.000 1.022 31 L CA -0.155 54.691 54.840 0.011 0.000 0.814 31 L CB 1.267 43.301 42.059 -0.043 0.000 1.217 31 L HN 0.568 nan 8.230 nan 0.000 0.420 32 Q N 2.316 121.954 119.800 -0.269 0.000 2.312 32 Q HA 0.412 4.752 4.340 -0.000 0.000 0.263 32 Q C -1.194 174.615 176.000 -0.319 0.000 0.995 32 Q CA -0.809 54.695 55.803 -0.499 0.000 0.853 32 Q CB 1.686 29.991 28.738 -0.721 0.000 1.300 32 Q HN 0.459 nan 8.270 nan 0.000 0.448 33 F N 2.782 122.687 119.950 -0.075 0.000 2.652 33 F HA 0.103 4.630 4.527 -0.000 0.000 0.352 33 F C 0.790 176.669 175.800 0.131 0.000 1.259 33 F CA 0.213 58.280 58.000 0.111 0.000 1.249 33 F CB 0.389 39.543 39.000 0.256 0.000 1.628 33 F HN 0.556 nan 8.300 nan 0.000 0.654 34 S N -0.112 115.652 115.700 0.107 0.000 2.820 34 S HA 0.463 4.933 4.470 -0.000 0.000 0.265 34 S C 0.358 174.981 174.600 0.039 0.000 1.043 34 S CA -0.280 57.948 58.200 0.048 0.000 1.245 34 S CB -0.079 63.117 63.200 -0.007 0.000 1.187 34 S HN 0.319 nan 8.310 nan 0.000 0.673 35 A N 1.908 124.781 122.820 0.088 0.000 2.409 35 A HA 0.456 4.776 4.320 -0.000 0.000 0.267 35 A C 0.793 178.482 177.584 0.174 0.000 1.127 35 A CA -0.227 51.877 52.037 0.112 0.000 0.795 35 A CB 0.143 19.224 19.000 0.136 0.000 1.061 35 A HN 0.289 nan 8.150 nan 0.000 0.502 36 D N 1.727 122.196 120.400 0.116 0.000 2.123 36 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 36 D C 0.155 176.585 176.300 0.217 0.000 0.976 36 D CA 1.412 55.490 54.000 0.130 0.000 0.831 36 D CB 0.173 41.015 40.800 0.069 0.000 0.974 36 D HN 0.668 nan 8.370 nan 0.000 0.469 37 K N 0.236 120.716 120.400 0.135 0.000 2.156 37 K HA 0.374 4.694 4.320 -0.000 0.000 0.254 37 K C 0.838 177.348 176.600 -0.149 0.000 0.950 37 K CA -0.516 55.803 56.287 0.053 0.000 0.849 37 K CB 2.520 35.033 32.500 0.022 0.000 1.100 37 K HN -0.197 nan 8.250 nan 0.000 0.434 38 I N 1.887 122.220 120.570 -0.396 0.000 2.614 38 I HA -0.153 4.017 4.170 -0.000 0.000 0.258 38 I C 0.821 176.837 176.117 -0.169 0.000 1.189 38 I CA 1.123 62.038 61.300 -0.642 0.000 1.462 38 I CB 0.209 37.857 38.000 -0.587 0.000 1.092 38 I HN 0.598 nan 8.210 nan 0.000 0.442 39 L N 0.135 121.332 121.223 -0.043 0.000 2.551 39 L HA -0.054 4.286 4.340 -0.000 0.000 0.228 39 L C 0.816 177.703 176.870 0.029 0.000 1.153 39 L CA 0.119 55.023 54.840 0.108 0.000 0.851 39 L CB -0.785 41.318 42.059 0.073 0.000 0.959 39 L HN 0.221 nan 8.230 nan 0.000 0.451 40 D N 2.235 122.598 120.400 -0.062 0.000 2.520 40 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 40 D C -1.405 174.797 176.300 -0.163 0.000 1.160 40 D CA -0.992 52.955 54.000 -0.087 0.000 0.877 40 D CB 1.390 42.141 40.800 -0.081 0.000 1.150 40 D HN 0.036 nan 8.370 nan 0.000 0.494 41 P HA -0.086 nan 4.420 nan 0.000 0.234 41 P C 0.991 178.100 177.300 -0.318 0.000 1.167 41 P CA 0.135 63.110 63.100 -0.209 0.000 0.763 41 P CB 0.431 32.044 31.700 -0.145 0.000 0.835 42 L N -1.172 119.871 121.223 -0.300 0.000 2.640 42 L HA 0.306 4.646 4.340 -0.000 0.000 0.230 42 L C 1.902 178.583 176.870 -0.315 0.000 1.123 42 L CA -0.009 54.638 54.840 -0.321 0.000 0.900 42 L CB -1.270 40.655 42.059 -0.224 0.000 1.146 42 L HN -0.098 nan 8.230 nan 0.000 0.484 43 A N -1.280 121.342 122.820 -0.330 0.000 2.423 43 A HA 0.277 4.597 4.320 -0.000 0.000 0.246 43 A C 0.583 177.935 177.584 -0.386 0.000 1.278 43 A CA -0.144 51.747 52.037 -0.243 0.000 0.903 43 A CB -0.135 18.797 19.000 -0.113 0.000 0.997 43 A HN 0.266 nan 8.150 nan 0.000 0.510 44 Q N -0.772 118.617 119.800 -0.685 0.000 2.241 44 Q HA 0.705 5.045 4.340 -0.000 0.000 0.254 44 Q C -1.306 174.197 176.000 -0.829 0.000 0.917 44 Q CA 0.263 55.654 55.803 -0.687 0.000 0.919 44 Q CB 1.343 29.546 28.738 -0.891 0.000 1.237 44 Q HN 0.392 nan 8.270 nan 0.000 0.434 45 F N -0.063 119.770 119.950 -0.195 0.000 2.565 45 F HA 0.375 4.902 4.527 -0.000 0.000 0.313 45 F C 0.009 175.759 175.800 -0.083 0.000 1.091 45 F CA -0.933 56.990 58.000 -0.128 0.000 0.915 45 F CB 1.981 40.913 39.000 -0.114 0.000 1.208 45 F HN 0.416 nan 8.300 nan 0.000 0.453 46 E N 1.937 122.187 120.200 0.084 0.000 2.179 46 E HA 0.670 5.020 4.350 -0.000 0.000 0.275 46 E C -1.705 174.956 176.600 0.102 0.000 0.945 46 E CA -0.641 55.800 56.400 0.067 0.000 0.792 46 E CB 1.769 31.473 29.700 0.007 0.000 1.125 46 E HN 0.449 nan 8.360 nan 0.000 0.397 47 V N 3.760 123.744 119.914 0.117 0.000 2.532 47 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 47 V C -0.393 175.793 176.094 0.154 0.000 1.041 47 V CA -0.451 61.931 62.300 0.137 0.000 0.926 47 V CB 1.545 33.445 31.823 0.128 0.000 0.992 47 V HN 0.783 nan 8.190 nan 0.000 0.457 48 E N 6.462 126.787 120.200 0.208 0.000 2.283 48 E HA 0.402 4.752 4.350 -0.000 0.000 0.258 48 E C -2.770 173.982 176.600 0.253 0.000 0.893 48 E CA -2.003 54.535 56.400 0.230 0.000 0.798 48 E CB 2.528 32.403 29.700 0.291 0.000 1.242 48 E HN 0.454 nan 8.360 nan 0.000 0.414 49 P HA -0.081 nan 4.420 nan 0.000 0.267 49 P C -0.171 177.237 177.300 0.179 0.000 1.200 49 P CA -0.016 63.173 63.100 0.150 0.000 0.772 49 P CB 1.203 32.971 31.700 0.114 0.000 0.855 50 S N 1.610 117.382 115.700 0.120 0.000 2.549 50 S HA 0.053 4.523 4.470 -0.000 0.000 0.279 50 S C 1.286 175.938 174.600 0.086 0.000 1.321 50 S CA -0.244 58.028 58.200 0.120 0.000 1.054 50 S CB 0.220 63.462 63.200 0.070 0.000 0.899 50 S HN 0.216 nan 8.310 nan 0.000 0.497 51 K N 2.529 122.978 120.400 0.081 0.000 2.057 51 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 51 K C 2.070 178.620 176.600 -0.084 0.000 1.050 51 K CA 2.067 58.357 56.287 0.005 0.000 0.935 51 K CB -0.468 32.029 32.500 -0.004 0.000 0.715 51 K HN 0.684 nan 8.250 nan 0.000 0.439 52 T N -1.045 113.390 114.554 -0.198 0.000 3.021 52 T HA 0.088 4.438 4.350 -0.000 0.000 0.245 52 T C -0.091 174.295 174.700 -0.524 0.000 1.028 52 T CA 0.458 62.287 62.100 -0.452 0.000 1.139 52 T CB -0.093 68.301 68.868 -0.790 0.000 0.884 52 T HN -0.044 nan 8.240 nan 0.000 0.457 53 Y N 2.383 122.673 120.300 -0.017 0.000 2.367 53 Y HA 0.498 5.048 4.550 -0.000 0.000 0.342 53 Y C 0.075 175.965 175.900 -0.016 0.000 0.979 53 Y CA -2.422 55.662 58.100 -0.026 0.000 1.161 53 Y CB 0.205 38.633 38.460 -0.053 0.000 1.155 53 Y HN 0.018 nan 8.280 nan 0.000 0.503 54 D N 1.969 122.435 120.400 0.110 0.000 2.450 54 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 54 D C 1.198 177.550 176.300 0.086 0.000 1.162 54 D CA 1.881 55.928 54.000 0.077 0.000 0.879 54 D CB 0.484 41.318 40.800 0.057 0.000 1.163 54 D HN 0.838 nan 8.370 nan 0.000 0.472 55 G N 2.865 111.711 108.800 0.077 0.000 2.241 55 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 55 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 55 G C 0.342 175.276 174.900 0.055 0.000 0.998 55 G CA 0.244 45.387 45.100 0.072 0.000 0.621 55 G HN 0.520 nan 8.290 nan 0.000 0.519 56 L N 0.404 121.657 121.223 0.050 0.000 2.399 56 L HA 0.798 5.138 4.340 -0.000 0.000 0.266 56 L C 0.437 177.302 176.870 -0.008 0.000 1.114 56 L CA -0.860 53.978 54.840 -0.004 0.000 0.804 56 L CB 1.567 43.605 42.059 -0.034 0.000 1.146 56 L HN 0.030 nan 8.230 nan 0.000 0.451 57 V N 0.615 120.508 119.914 -0.034 0.000 3.078 57 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 57 V C -0.872 175.207 176.094 -0.026 0.000 1.138 57 V CA -0.591 61.717 62.300 0.014 0.000 1.007 57 V CB 2.705 34.587 31.823 0.098 0.000 1.045 57 V HN 0.625 nan 8.190 nan 0.000 0.432 58 H N 3.796 123.001 119.070 0.225 0.000 2.569 58 H HA 0.656 5.212 4.556 -0.000 0.000 0.357 58 H C -1.020 174.487 175.328 0.299 0.000 1.153 58 H CA -0.322 55.914 56.048 0.314 0.000 1.193 58 H CB 2.118 32.074 29.762 0.323 0.000 1.602 58 H HN 0.413 nan 8.280 nan 0.000 0.523 59 I N 2.557 123.385 120.570 0.430 0.000 2.582 59 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 59 I C -0.485 175.725 176.117 0.155 0.000 1.066 59 I CA -0.749 60.669 61.300 0.197 0.000 1.053 59 I CB 2.177 40.155 38.000 -0.037 0.000 1.241 59 I HN 0.424 nan 8.210 nan 0.000 0.421 60 K N 2.849 123.270 120.400 0.034 0.000 2.435 60 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 60 K C -0.770 175.839 176.600 0.016 0.000 0.954 60 K CA -0.750 55.479 56.287 -0.096 0.000 0.820 60 K CB 2.092 34.292 32.500 -0.500 0.000 1.292 60 K HN 0.424 nan 8.250 nan 0.000 0.436 61 S N 0.667 116.346 115.700 -0.035 0.000 2.549 61 S HA 0.083 4.553 4.470 -0.000 0.000 0.279 61 S C 0.942 175.363 174.600 -0.299 0.000 1.321 61 S CA -0.515 57.532 58.200 -0.256 0.000 1.054 61 S CB 0.526 63.594 63.200 -0.221 0.000 0.899 61 S HN 0.640 nan 8.310 nan 0.000 0.497 62 R N 2.663 122.935 120.500 -0.379 0.000 2.090 62 R HA -0.079 4.261 4.340 -0.000 0.000 0.228 62 R C 1.710 177.895 176.300 -0.192 0.000 1.110 62 R CA 1.327 57.271 56.100 -0.259 0.000 0.973 62 R CB -1.080 29.048 30.300 -0.287 0.000 0.869 62 R HN 0.879 nan 8.270 nan 0.000 0.440 63 Y N 2.083 122.152 120.300 -0.386 0.000 2.036 63 Y HA -0.262 4.288 4.550 -0.000 0.000 0.273 63 Y C 2.440 178.150 175.900 -0.316 0.000 1.135 63 Y CA 2.385 60.278 58.100 -0.346 0.000 1.106 63 Y CB -0.897 37.307 38.460 -0.427 0.000 0.976 63 Y HN 0.154 nan 8.280 nan 0.000 0.483 64 T N -2.083 112.112 114.554 -0.599 0.000 3.055 64 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 64 T C 1.260 175.766 174.700 -0.323 0.000 1.111 64 T CA 0.765 62.514 62.100 -0.585 0.000 1.118 64 T CB -0.646 67.902 68.868 -0.534 0.000 0.909 64 T HN 0.656 nan 8.240 nan 0.000 0.501 65 N N 0.490 119.028 118.700 -0.270 0.000 2.741 65 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 65 N C -1.050 174.317 175.510 -0.239 0.000 1.115 65 N CA 0.507 53.421 53.050 -0.227 0.000 0.724 65 N CB -0.712 37.672 38.487 -0.170 0.000 1.090 65 N HN 0.591 nan 8.380 nan 0.000 0.558 66 K N 0.491 120.764 120.400 -0.211 0.000 2.259 66 K HA 0.323 4.643 4.320 -0.000 0.000 0.249 66 K C -0.743 175.778 176.600 -0.132 0.000 0.942 66 K CA -0.586 55.630 56.287 -0.118 0.000 0.816 66 K CB 0.950 33.458 32.500 0.014 0.000 1.155 66 K HN 0.043 nan 8.250 nan 0.000 0.428 67 Y N 1.270 121.628 120.300 0.097 0.000 2.397 67 Y HA 0.052 4.602 4.550 -0.000 0.000 0.335 67 Y C 0.400 176.423 175.900 0.205 0.000 1.213 67 Y CA -0.419 57.770 58.100 0.149 0.000 1.391 67 Y CB 0.269 38.807 38.460 0.129 0.000 1.293 67 Y HN 0.257 nan 8.280 nan 0.000 0.557 68 L N 3.038 124.491 121.223 0.384 0.000 2.410 68 L HA 0.420 4.759 4.340 -0.000 0.000 0.273 68 L C -0.004 177.155 176.870 0.481 0.000 1.152 68 L CA 0.282 55.343 54.840 0.368 0.000 0.855 68 L CB 0.629 42.824 42.059 0.226 0.000 1.129 68 L HN 0.548 nan 8.230 nan 0.000 0.463 69 V N 4.239 124.400 119.914 0.413 0.000 3.258 69 V HA 0.508 4.628 4.120 -0.000 0.000 0.299 69 V C -0.435 175.889 176.094 0.384 0.000 1.376 69 V CA -1.016 61.510 62.300 0.377 0.000 1.063 69 V CB 2.407 34.401 31.823 0.285 0.000 1.103 69 V HN 0.743 nan 8.190 nan 0.000 0.451 70 R N 1.608 122.342 120.500 0.391 0.000 2.643 70 R HA 0.083 4.423 4.340 -0.000 0.000 0.270 70 R C 0.493 177.154 176.300 0.601 0.000 1.061 70 R CA 0.170 56.522 56.100 0.420 0.000 1.107 70 R CB 0.368 30.910 30.300 0.403 0.000 0.999 70 R HN 0.826 nan 8.270 nan 0.000 0.460 71 W N 1.649 123.155 121.300 0.344 0.000 2.342 71 W HA -0.161 4.499 4.660 -0.000 0.000 0.297 71 W C 0.616 177.279 176.519 0.241 0.000 1.213 71 W CA 1.605 59.109 57.345 0.265 0.000 1.251 71 W CB -0.063 29.497 29.460 0.167 0.000 1.136 71 W HN 0.634 nan 8.180 nan 0.000 0.526 72 S N -4.403 111.524 115.700 0.378 0.000 2.656 72 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 72 S C -2.370 171.919 174.600 -0.518 0.000 1.132 72 S CA -0.787 57.301 58.200 -0.187 0.000 0.819 72 S CB 1.562 64.701 63.200 -0.101 0.000 1.119 72 S HN -0.273 nan 8.310 nan 0.000 0.476 73 P HA 0.093 nan 4.420 nan 0.000 0.222 73 P C 0.462 177.558 177.300 -0.341 0.000 1.147 73 P CA 1.054 63.609 63.100 -0.908 0.000 0.790 73 P CB -0.145 30.997 31.700 -0.930 0.000 0.780 74 N N -2.469 116.077 118.700 -0.257 0.000 2.254 74 N HA 0.039 4.779 4.740 -0.000 0.000 0.190 74 N C 0.067 175.299 175.510 -0.464 0.000 1.107 74 N CA 0.368 53.217 53.050 -0.335 0.000 0.869 74 N CB -0.104 38.125 38.487 -0.429 0.000 0.983 74 N HN 0.332 nan 8.380 nan 0.000 0.487 75 H N -1.723 117.341 119.070 -0.010 0.000 2.670 75 H HA 0.326 4.882 4.556 -0.000 0.000 0.361 75 H C -0.168 175.247 175.328 0.145 0.000 1.169 75 H CA -0.560 55.541 56.048 0.088 0.000 1.198 75 H CB 0.937 30.978 29.762 0.465 0.000 1.700 75 H HN -0.120 nan 8.280 nan 0.000 0.542 76 Y N -1.122 119.130 120.300 -0.080 0.000 2.467 76 Y HA 0.133 4.683 4.550 -0.000 0.000 0.250 76 Y C -0.230 175.371 175.900 -0.498 0.000 1.155 76 Y CA -1.282 56.485 58.100 -0.555 0.000 1.249 76 Y CB -0.435 37.267 38.460 -1.263 0.000 1.146 76 Y HN 0.527 nan 8.280 nan 0.000 0.524 77 W N 1.351 122.806 121.300 0.257 0.000 2.190 77 W HA 0.325 4.985 4.660 -0.000 0.000 0.330 77 W C -0.018 176.558 176.519 0.094 0.000 1.299 77 W CA -0.296 57.166 57.345 0.196 0.000 1.215 77 W CB 0.511 29.973 29.460 0.004 0.000 1.147 77 W HN -0.289 nan 8.180 nan 0.000 0.563 78 I N 2.639 123.397 120.570 0.314 0.000 2.359 78 I HA 0.251 4.421 4.170 -0.000 0.000 0.294 78 I C 0.209 176.423 176.117 0.161 0.000 0.987 78 I CA -0.494 60.951 61.300 0.241 0.000 1.225 78 I CB 0.989 39.134 38.000 0.241 0.000 1.366 78 I HN 0.265 nan 8.210 nan 0.000 0.466 79 T N 4.690 119.362 114.554 0.197 0.000 2.863 79 T HA 0.669 5.019 4.350 -0.000 0.000 0.285 79 T C -0.216 174.634 174.700 0.249 0.000 1.009 79 T CA -0.496 61.702 62.100 0.162 0.000 0.989 79 T CB 1.273 70.278 68.868 0.229 0.000 1.004 79 T HN 0.675 nan 8.240 nan 0.000 0.455 80 A N 3.289 126.267 122.820 0.265 0.000 3.078 80 A HA 0.551 4.871 4.320 -0.000 0.000 0.279 80 A C 0.841 178.592 177.584 0.280 0.000 1.594 80 A CA -0.369 51.845 52.037 0.294 0.000 1.301 80 A CB -0.484 18.732 19.000 0.360 0.000 1.162 80 A HN 0.727 nan 8.150 nan 0.000 0.585 81 S N -0.012 115.851 115.700 0.272 0.000 2.817 81 S HA 0.326 4.796 4.470 -0.000 0.000 0.262 81 S C 0.754 175.493 174.600 0.231 0.000 1.051 81 S CA 0.319 58.671 58.200 0.252 0.000 1.185 81 S CB 0.491 63.868 63.200 0.296 0.000 1.152 81 S HN 0.931 nan 8.310 nan 0.000 0.653 82 A N 2.267 125.243 122.820 0.259 0.000 2.450 82 A HA 0.400 4.720 4.320 -0.000 0.000 0.255 82 A C 0.979 178.722 177.584 0.266 0.000 1.096 82 A CA -0.358 51.821 52.037 0.236 0.000 0.778 82 A CB 0.130 19.267 19.000 0.229 0.000 1.031 82 A HN 0.277 nan 8.150 nan 0.000 0.494 83 N N 0.960 119.764 118.700 0.173 0.000 2.331 83 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 83 N C 0.401 176.022 175.510 0.184 0.000 1.019 83 N CA 1.444 54.587 53.050 0.154 0.000 0.881 83 N CB 0.170 38.709 38.487 0.086 0.000 0.972 83 N HN 0.936 nan 8.380 nan 0.000 0.435 84 E N -0.128 120.116 120.200 0.072 0.000 2.412 84 E HA 0.372 4.722 4.350 -0.000 0.000 0.279 84 E C -3.108 173.190 176.600 -0.503 0.000 0.984 84 E CA -1.799 54.509 56.400 -0.153 0.000 0.788 84 E CB 2.211 31.846 29.700 -0.108 0.000 1.277 84 E HN -0.213 nan 8.360 nan 0.000 0.455 85 P HA 0.094 nan 4.420 nan 0.000 0.270 85 P C -0.842 176.217 177.300 -0.400 0.000 1.223 85 P CA 0.195 62.733 63.100 -0.935 0.000 0.785 85 P CB 0.556 31.459 31.700 -1.327 0.000 0.923 86 D N 0.955 121.238 120.400 -0.194 0.000 2.602 86 D HA 0.111 4.751 4.640 -0.000 0.000 0.245 86 D C -0.108 176.212 176.300 0.034 0.000 1.325 86 D CA -0.251 53.694 54.000 -0.093 0.000 0.952 86 D CB 1.098 41.813 40.800 -0.142 0.000 1.317 86 D HN 0.247 nan 8.370 nan 0.000 0.577 87 E N 1.799 122.037 120.200 0.063 0.000 2.451 87 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 87 E C 0.103 176.762 176.600 0.099 0.000 1.027 87 E CA -0.317 56.169 56.400 0.143 0.000 0.914 87 E CB 0.403 30.247 29.700 0.240 0.000 1.054 87 E HN 0.170 nan 8.360 nan 0.000 0.461 88 N N 1.928 120.628 118.700 0.000 0.000 2.415 88 N HA 0.022 4.762 4.740 -0.000 0.000 0.246 88 N C 0.457 175.913 175.510 -0.089 0.000 1.078 88 N CA 0.097 53.132 53.050 -0.025 0.000 0.942 88 N CB 0.743 39.205 38.487 -0.042 0.000 1.140 88 N HN -0.075 nan 8.380 nan 0.000 0.501 89 K N 1.178 121.508 120.400 -0.118 0.000 2.280 89 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 89 K C 0.934 177.454 176.600 -0.132 0.000 1.047 89 K CA 1.015 57.192 56.287 -0.184 0.000 0.942 89 K CB 0.233 32.591 32.500 -0.237 0.000 0.739 89 K HN 0.411 nan 8.250 nan 0.000 0.457 90 S N 0.562 116.213 115.700 -0.082 0.000 2.548 90 S HA 0.011 4.481 4.470 -0.000 0.000 0.215 90 S C 0.421 175.009 174.600 -0.019 0.000 0.976 90 S CA -0.265 57.909 58.200 -0.044 0.000 0.908 90 S CB -0.058 63.127 63.200 -0.024 0.000 0.781 90 S HN 0.249 nan 8.310 nan 0.000 0.519 91 N N 1.866 120.529 118.700 -0.062 0.000 2.472 91 N HA 0.064 4.804 4.740 -0.000 0.000 0.277 91 N C 0.923 176.380 175.510 -0.089 0.000 1.081 91 N CA -0.649 52.341 53.050 -0.100 0.000 0.973 91 N CB 0.493 38.863 38.487 -0.194 0.000 1.105 91 N HN 0.416 nan 8.380 nan 0.000 0.470 92 W N 2.968 124.280 121.300 0.020 0.000 2.387 92 W HA -0.053 4.607 4.660 -0.000 0.000 0.272 92 W C 0.322 176.891 176.519 0.084 0.000 1.224 92 W CA 0.664 58.038 57.345 0.048 0.000 1.210 92 W CB -0.759 28.734 29.460 0.055 0.000 1.125 92 W HN 0.534 nan 8.180 nan 0.000 0.572 93 A N 0.810 123.142 122.820 -0.813 0.000 2.415 93 A HA 0.187 4.507 4.320 -0.000 0.000 0.248 93 A C 0.672 178.066 177.584 -0.316 0.000 1.299 93 A CA 0.016 51.602 52.037 -0.752 0.000 0.899 93 A CB -1.188 17.050 19.000 -1.271 0.000 0.997 93 A HN 0.276 nan 8.150 nan 0.000 0.506 94 C N 1.496 120.665 119.300 -0.218 0.000 2.611 94 C HA 0.286 4.746 4.460 -0.000 0.000 0.416 94 C C 2.023 176.916 174.990 -0.163 0.000 1.366 94 C CA 1.045 59.949 59.018 -0.191 0.000 1.761 94 C CB -0.383 27.210 27.740 -0.245 0.000 2.619 94 C HN 0.658 nan 8.230 nan 0.000 0.606 95 T N 3.786 118.297 114.554 -0.070 0.000 3.069 95 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 95 T C 0.314 175.001 174.700 -0.021 0.000 1.053 95 T CA -0.141 62.003 62.100 0.073 0.000 0.964 95 T CB -0.292 68.731 68.868 0.257 0.000 1.005 95 T HN 0.624 nan 8.240 nan 0.000 0.532 96 L N 1.928 122.972 121.223 -0.298 0.000 2.410 96 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 96 L C -0.410 176.098 176.870 -0.604 0.000 1.152 96 L CA -0.451 54.142 54.840 -0.411 0.000 0.855 96 L CB 0.254 42.082 42.059 -0.385 0.000 1.129 96 L HN 0.146 nan 8.230 nan 0.000 0.463 97 F N 2.047 121.881 119.950 -0.194 0.000 2.598 97 F HA 0.551 5.078 4.527 -0.000 0.000 0.327 97 F C 0.048 175.775 175.800 -0.121 0.000 1.057 97 F CA -0.841 57.081 58.000 -0.130 0.000 0.957 97 F CB 1.823 40.799 39.000 -0.040 0.000 1.278 97 F HN 0.252 nan 8.300 nan 0.000 0.484 98 K N 3.541 123.993 120.400 0.088 0.000 2.613 98 K HA 0.407 4.727 4.320 -0.000 0.000 0.248 98 K C -3.063 173.551 176.600 0.023 0.000 0.959 98 K CA -1.973 54.323 56.287 0.015 0.000 0.855 98 K CB 1.790 34.255 32.500 -0.058 0.000 1.143 98 K HN 0.135 nan 8.250 nan 0.000 0.437 99 P HA 0.153 nan 4.420 nan 0.000 0.282 99 P C -0.990 176.146 177.300 -0.273 0.000 1.262 99 P CA -0.258 62.752 63.100 -0.150 0.000 0.773 99 P CB 0.815 32.401 31.700 -0.190 0.000 0.879 100 L N 4.623 125.687 121.223 -0.264 0.000 2.343 100 L HA 0.387 4.727 4.340 -0.000 0.000 0.278 100 L C -0.080 176.624 176.870 -0.277 0.000 0.996 100 L CA -1.104 53.626 54.840 -0.184 0.000 0.831 100 L CB 1.003 43.078 42.059 0.026 0.000 1.232 100 L HN 0.300 nan 8.230 nan 0.000 0.413 101 Y N 2.065 122.404 120.300 0.065 0.000 2.377 101 Y HA 0.057 4.607 4.550 -0.000 0.000 0.330 101 Y C 1.390 177.305 175.900 0.024 0.000 1.108 101 Y CA -0.344 57.785 58.100 0.049 0.000 1.308 101 Y CB 0.848 39.338 38.460 0.049 0.000 1.216 101 Y HN 0.334 nan 8.280 nan 0.000 0.518 102 V N 1.547 121.535 119.914 0.123 0.000 2.343 102 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 102 V C 0.584 176.716 176.094 0.064 0.000 1.051 102 V CA 1.764 64.091 62.300 0.044 0.000 1.036 102 V CB -0.645 31.179 31.823 0.002 0.000 0.654 102 V HN 0.812 nan 8.190 nan 0.000 0.451 103 E N -0.168 120.092 120.200 0.099 0.000 2.234 103 E HA 0.369 4.719 4.350 -0.000 0.000 0.266 103 E C -0.915 175.729 176.600 0.074 0.000 0.877 103 E CA -0.805 55.637 56.400 0.069 0.000 0.758 103 E CB 1.739 31.466 29.700 0.046 0.000 1.170 103 E HN 0.167 nan 8.360 nan 0.000 0.415 104 E N 1.138 121.370 120.200 0.053 0.000 2.558 104 E HA -0.015 4.335 4.350 -0.000 0.000 0.255 104 E C 0.922 177.523 176.600 0.002 0.000 0.968 104 E CA 1.926 58.347 56.400 0.035 0.000 0.939 104 E CB 0.701 30.417 29.700 0.027 0.000 0.921 104 E HN 0.967 nan 8.360 nan 0.000 0.477 105 G N 4.087 112.867 108.800 -0.034 0.000 2.284 105 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.247 105 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.247 105 G C 0.459 175.307 174.900 -0.088 0.000 1.012 105 G CA 0.340 45.403 45.100 -0.063 0.000 0.618 105 G HN 0.542 nan 8.290 nan 0.000 0.521 106 N N 1.021 119.687 118.700 -0.056 0.000 2.406 106 N HA 0.492 5.232 4.740 -0.000 0.000 0.251 106 N C 1.474 176.935 175.510 -0.082 0.000 1.069 106 N CA -0.523 52.508 53.050 -0.032 0.000 0.947 106 N CB 0.391 38.898 38.487 0.034 0.000 1.111 106 N HN 0.099 nan 8.380 nan 0.000 0.497 107 M N 2.309 121.828 119.600 -0.135 0.000 2.495 107 M HA 0.122 4.602 4.480 -0.000 0.000 0.237 107 M C 0.370 176.758 176.300 0.146 0.000 1.131 107 M CA 0.378 55.556 55.300 -0.203 0.000 1.032 107 M CB -0.290 32.185 32.600 -0.208 0.000 1.513 107 M HN 0.328 nan 8.290 nan 0.000 0.488 108 K N 0.612 121.110 120.400 0.163 0.000 2.372 108 K HA 0.291 4.611 4.320 -0.000 0.000 0.200 108 K C 0.083 176.859 176.600 0.294 0.000 1.022 108 K CA 0.111 56.530 56.287 0.219 0.000 1.125 108 K CB 0.960 33.547 32.500 0.146 0.000 0.855 108 K HN 0.223 nan 8.250 nan 0.000 0.524 109 K N 1.363 121.939 120.400 0.294 0.000 2.545 109 K HA 0.309 4.629 4.320 -0.000 0.000 0.252 109 K C -0.967 175.757 176.600 0.207 0.000 0.948 109 K CA -0.489 55.934 56.287 0.226 0.000 0.827 109 K CB 1.943 34.551 32.500 0.180 0.000 1.128 109 K HN -0.088 nan 8.250 nan 0.000 0.429 110 V N 0.001 119.975 119.914 0.101 0.000 3.159 110 V HA 0.665 4.785 4.120 -0.000 0.000 0.308 110 V C -1.208 174.859 176.094 -0.046 0.000 1.190 110 V CA -1.158 61.137 62.300 -0.009 0.000 1.037 110 V CB 2.248 34.019 31.823 -0.087 0.000 1.060 110 V HN 0.672 nan 8.190 nan 0.000 0.437 111 R N 1.497 121.967 120.500 -0.050 0.000 2.599 111 R HA 0.725 5.065 4.340 -0.000 0.000 0.295 111 R C -1.520 174.870 176.300 0.150 0.000 0.963 111 R CA -0.746 55.358 56.100 0.006 0.000 0.883 111 R CB 2.219 32.509 30.300 -0.017 0.000 1.171 111 R HN 0.753 nan 8.270 nan 0.000 0.450 112 L N 4.385 125.782 121.223 0.290 0.000 2.294 112 L HA 0.402 4.742 4.340 -0.000 0.000 0.283 112 L C -0.651 176.405 176.870 0.311 0.000 1.015 112 L CA -0.850 54.156 54.840 0.276 0.000 0.831 112 L CB 1.473 43.690 42.059 0.263 0.000 1.217 112 L HN 0.333 nan 8.230 nan 0.000 0.420 113 L N 3.961 125.289 121.223 0.176 0.000 2.292 113 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 113 L C 0.191 177.066 176.870 0.008 0.000 1.065 113 L CA -0.025 54.806 54.840 -0.014 0.000 0.806 113 L CB 0.694 42.626 42.059 -0.212 0.000 1.175 113 L HN 0.475 nan 8.230 nan 0.000 0.431 114 H N 4.731 123.698 119.070 -0.172 0.000 2.742 114 H HA 0.119 4.675 4.556 -0.000 0.000 0.302 114 H C 0.634 175.706 175.328 -0.427 0.000 1.069 114 H CA -0.130 55.639 56.048 -0.466 0.000 1.446 114 H CB 1.449 30.984 29.762 -0.378 0.000 1.462 114 H HN 0.679 nan 8.280 nan 0.000 0.499 115 V N 4.919 124.364 119.914 -0.783 0.000 2.261 115 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 115 V C 2.795 178.608 176.094 -0.469 0.000 1.047 115 V CA 1.974 63.945 62.300 -0.548 0.000 1.015 115 V CB -0.540 30.977 31.823 -0.510 0.000 0.642 115 V HN 0.761 nan 8.190 nan 0.000 0.446 116 Q N -0.567 118.885 119.800 -0.581 0.000 2.112 116 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 116 Q C 2.137 178.028 176.000 -0.181 0.000 0.987 116 Q CA 1.940 57.562 55.803 -0.302 0.000 0.858 116 Q CB -0.242 28.374 28.738 -0.205 0.000 0.905 116 Q HN 0.475 nan 8.270 nan 0.000 0.420 117 L N -0.735 120.423 121.223 -0.109 0.000 2.307 117 L HA 0.145 4.485 4.340 -0.000 0.000 0.211 117 L C 1.480 178.151 176.870 -0.331 0.000 1.099 117 L CA 1.715 56.344 54.840 -0.351 0.000 0.816 117 L CB -0.683 40.971 42.059 -0.676 0.000 0.952 117 L HN 0.490 nan 8.230 nan 0.000 0.455 118 G N -0.568 108.100 108.800 -0.219 0.000 2.160 118 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.251 118 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.251 118 G C 0.313 175.156 174.900 -0.094 0.000 1.008 118 G CA 0.270 45.266 45.100 -0.172 0.000 0.724 118 G HN 0.522 nan 8.290 nan 0.000 0.514 119 H N -1.203 117.683 119.070 -0.306 0.000 2.463 119 H HA 0.473 5.029 4.556 -0.000 0.000 0.332 119 H C -0.185 174.971 175.328 -0.286 0.000 1.127 119 H CA -0.962 54.889 56.048 -0.329 0.000 1.238 119 H CB 0.937 30.449 29.762 -0.417 0.000 1.478 119 H HN 0.201 nan 8.280 nan 0.000 0.499 120 Y N 1.446 121.758 120.300 0.020 0.000 2.346 120 Y HA 0.010 4.560 4.550 -0.000 0.000 0.330 120 Y C 1.199 177.137 175.900 0.064 0.000 1.178 120 Y CA -0.411 57.712 58.100 0.037 0.000 1.331 120 Y CB 0.763 39.214 38.460 -0.016 0.000 1.253 120 Y HN 0.562 nan 8.280 nan 0.000 0.529 121 T N 0.894 115.640 114.554 0.320 0.000 2.909 121 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 121 T C -0.478 174.461 174.700 0.398 0.000 1.005 121 T CA -0.944 61.350 62.100 0.325 0.000 1.084 121 T CB 1.233 70.328 68.868 0.379 0.000 0.975 121 T HN 0.636 nan 8.240 nan 0.000 0.509 122 Q N 0.885 120.930 119.800 0.409 0.000 2.495 122 Q HA 0.326 4.666 4.340 -0.000 0.000 0.287 122 Q C -0.713 175.578 176.000 0.484 0.000 1.078 122 Q CA -0.859 55.174 55.803 0.383 0.000 0.793 122 Q CB 2.259 31.181 28.738 0.307 0.000 1.459 122 Q HN 0.860 nan 8.270 nan 0.000 0.422 123 N N 1.291 120.160 118.700 0.283 0.000 2.508 123 N HA 0.090 4.830 4.740 -0.000 0.000 0.253 123 N C -1.551 174.096 175.510 0.227 0.000 1.145 123 N CA 0.036 53.194 53.050 0.181 0.000 0.973 123 N CB 0.359 38.597 38.487 -0.415 0.000 1.305 123 N HN 0.424 nan 8.380 nan 0.000 0.506 124 Y N 2.519 122.968 120.300 0.249 0.000 2.361 124 Y HA 0.318 4.868 4.550 -0.000 0.000 0.332 124 Y C -0.417 175.629 175.900 0.244 0.000 1.101 124 Y CA -0.213 57.987 58.100 0.167 0.000 1.137 124 Y CB 1.665 40.166 38.460 0.069 0.000 1.207 124 Y HN 0.238 nan 8.280 nan 0.000 0.463 125 T N 5.627 119.952 114.554 -0.382 0.000 2.848 125 T HA 0.408 4.758 4.350 -0.000 0.000 0.285 125 T C 0.121 174.619 174.700 -0.338 0.000 0.995 125 T CA -0.541 61.473 62.100 -0.144 0.000 0.970 125 T CB 1.597 70.404 68.868 -0.101 0.000 0.976 125 T HN 0.542 nan 8.240 nan 0.000 0.441 126 V N 1.741 121.680 119.914 0.041 0.000 2.785 126 V HA 0.689 4.809 4.120 -0.000 0.000 0.226 126 V C 1.057 177.197 176.094 0.078 0.000 1.127 126 V CA 0.575 62.912 62.300 0.062 0.000 1.193 126 V CB 0.076 32.053 31.823 0.257 0.000 0.926 126 V HN 1.000 nan 8.190 nan 0.000 0.507 127 G N -2.150 106.749 108.800 0.165 0.000 2.716 127 G HA2 0.523 4.483 3.960 -0.000 0.000 0.299 127 G HA3 0.523 4.483 3.960 -0.000 0.000 0.299 127 G C 0.365 175.339 174.900 0.123 0.000 1.450 127 G CA 0.277 45.444 45.100 0.113 0.000 0.968 127 G HN 0.981 nan 8.290 nan 0.000 0.566 128 G N 1.386 110.231 108.800 0.075 0.000 4.982 128 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.351 128 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.351 128 G C 2.038 176.959 174.900 0.035 0.000 1.462 128 G CA 2.226 47.357 45.100 0.052 0.000 1.248 128 G HN 2.168 nan 8.290 nan 0.000 0.842 129 S N -0.341 115.362 115.700 0.005 0.000 2.475 129 S HA 0.394 4.864 4.470 -0.000 0.000 0.224 129 S C 1.209 175.700 174.600 -0.181 0.000 1.042 129 S CA 0.692 58.823 58.200 -0.114 0.000 0.935 129 S CB 0.089 63.148 63.200 -0.235 0.000 0.801 129 S HN 0.377 nan 8.310 nan 0.000 0.509 130 F N 4.381 124.308 119.950 -0.037 0.000 2.659 130 F HA 0.343 4.870 4.527 -0.000 0.000 0.360 130 F C 0.248 176.161 175.800 0.188 0.000 1.218 130 F CA -0.854 57.106 58.000 -0.067 0.000 1.317 130 F CB -0.031 38.860 39.000 -0.181 0.000 1.697 130 F HN 0.049 nan 8.300 nan 0.000 0.637 131 V N -1.515 118.614 119.914 0.357 0.000 2.370 131 V HA 0.536 4.656 4.120 -0.000 0.000 0.283 131 V C 0.544 176.739 176.094 0.168 0.000 1.023 131 V CA -1.054 61.384 62.300 0.230 0.000 0.857 131 V CB 1.137 33.030 31.823 0.116 0.000 0.985 131 V HN 0.471 nan 8.190 nan 0.000 0.443 132 S N 2.547 118.346 115.700 0.165 0.000 3.812 132 S HA -0.166 4.304 4.470 -0.000 0.000 0.341 132 S C -0.324 174.362 174.600 0.143 0.000 1.057 132 S CA 0.879 59.147 58.200 0.112 0.000 1.015 132 S CB -1.986 61.248 63.200 0.056 0.000 0.893 132 S HN 0.944 nan 8.310 nan 0.000 0.476 133 Y N -0.305 120.264 120.300 0.448 0.000 2.457 133 Y HA 0.618 5.168 4.550 -0.000 0.000 0.333 133 Y C 0.346 176.632 175.900 0.644 0.000 1.119 133 Y CA -1.146 57.247 58.100 0.490 0.000 1.143 133 Y CB 0.666 39.386 38.460 0.433 0.000 1.230 133 Y HN 0.285 nan 8.280 nan 0.000 0.469 134 L N 4.033 125.623 121.223 0.612 0.000 2.477 134 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 134 L C -1.227 175.990 176.870 0.580 0.000 1.157 134 L CA 0.339 55.486 54.840 0.511 0.000 0.889 134 L CB -0.608 41.579 42.059 0.213 0.000 1.158 134 L HN 0.523 nan 8.230 nan 0.000 0.473 135 F N 4.788 124.871 119.950 0.222 0.000 2.573 135 F HA 0.630 5.157 4.527 -0.000 0.000 0.316 135 F C -0.175 175.554 175.800 -0.118 0.000 1.148 135 F CA -0.896 57.035 58.000 -0.114 0.000 0.940 135 F CB 1.379 40.048 39.000 -0.550 0.000 1.214 135 F HN 0.547 nan 8.300 nan 0.000 0.448 136 A N 6.033 128.458 122.820 -0.659 0.000 2.906 136 A HA 0.179 4.499 4.320 -0.000 0.000 0.289 136 A C 1.342 178.513 177.584 -0.688 0.000 1.675 136 A CA -0.007 51.726 52.037 -0.506 0.000 1.372 136 A CB -0.494 18.191 19.000 -0.525 0.000 1.091 136 A HN 0.955 nan 8.150 nan 0.000 0.579 137 E N 1.600 121.570 120.200 -0.384 0.000 2.013 137 E HA -0.139 4.211 4.350 -0.000 0.000 0.202 137 E C 0.876 177.237 176.600 -0.399 0.000 1.018 137 E CA 1.870 58.145 56.400 -0.209 0.000 0.834 137 E CB 0.091 29.800 29.700 0.016 0.000 0.770 137 E HN 0.836 nan 8.360 nan 0.000 0.459 138 S N -2.153 113.230 115.700 -0.529 0.000 2.724 138 S HA 0.140 4.610 4.470 -0.000 0.000 0.278 138 S C 0.407 174.697 174.600 -0.517 0.000 1.190 138 S CA -0.061 57.541 58.200 -0.996 0.000 0.860 138 S CB 0.836 63.780 63.200 -0.426 0.000 1.206 138 S HN 0.158 nan 8.310 nan 0.000 0.507 139 S N -0.707 114.790 115.700 -0.339 0.000 2.593 139 S HA 0.251 4.721 4.470 -0.000 0.000 0.217 139 S C 0.103 174.777 174.600 0.124 0.000 0.966 139 S CA -0.017 58.135 58.200 -0.081 0.000 0.914 139 S CB -0.520 62.647 63.200 -0.055 0.000 0.776 139 S HN 0.591 nan 8.310 nan 0.000 0.523 140 Q N 0.977 120.829 119.800 0.087 0.000 2.256 140 Q HA 0.597 4.937 4.340 -0.000 0.000 0.257 140 Q C -0.513 175.511 176.000 0.040 0.000 0.936 140 Q CA -0.388 55.460 55.803 0.075 0.000 0.903 140 Q CB 1.557 30.294 28.738 -0.001 0.000 1.263 140 Q HN 0.401 nan 8.270 nan 0.000 0.440 141 I N 1.501 121.992 120.570 -0.133 0.000 2.754 141 I HA -0.071 4.099 4.170 -0.000 0.000 0.285 141 I C 0.254 176.252 176.117 -0.198 0.000 1.166 141 I CA 0.217 61.287 61.300 -0.382 0.000 1.417 141 I CB 0.561 38.350 38.000 -0.352 0.000 1.382 141 I HN 0.590 nan 8.210 nan 0.000 0.588 142 D N 3.635 123.912 120.400 -0.204 0.000 2.308 142 D HA 0.089 4.729 4.640 -0.000 0.000 0.251 142 D C 0.937 177.171 176.300 -0.110 0.000 1.127 142 D CA -0.031 53.899 54.000 -0.117 0.000 0.876 142 D CB 1.275 42.014 40.800 -0.103 0.000 1.176 142 D HN 0.511 nan 8.370 nan 0.000 0.446 143 T N 2.311 116.821 114.554 -0.073 0.000 2.788 143 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 143 T C 1.668 176.326 174.700 -0.070 0.000 1.044 143 T CA 1.222 63.283 62.100 -0.065 0.000 1.139 143 T CB -0.190 68.652 68.868 -0.044 0.000 0.867 143 T HN 0.583 nan 8.240 nan 0.000 0.454 144 G N 0.149 108.908 108.800 -0.069 0.000 3.026 144 G HA2 0.203 4.163 3.960 -0.000 0.000 0.208 144 G HA3 0.203 4.163 3.960 -0.000 0.000 0.208 144 G C 0.630 175.468 174.900 -0.103 0.000 1.169 144 G CA 0.368 45.423 45.100 -0.075 0.000 0.788 144 G HN 0.358 nan 8.290 nan 0.000 0.533 145 S N -0.981 114.642 115.700 -0.129 0.000 3.521 145 S HA -0.178 4.292 4.470 -0.000 0.000 0.328 145 S C 1.506 175.967 174.600 -0.232 0.000 1.165 145 S CA 1.231 59.324 58.200 -0.179 0.000 0.941 145 S CB -1.077 62.031 63.200 -0.154 0.000 0.951 145 S HN 0.697 nan 8.310 nan 0.000 0.539 146 K N 0.709 120.991 120.400 -0.196 0.000 2.525 146 K HA -0.049 4.271 4.320 -0.000 0.000 0.192 146 K C 1.072 177.498 176.600 -0.291 0.000 1.029 146 K CA 1.094 57.254 56.287 -0.211 0.000 1.029 146 K CB -0.052 32.388 32.500 -0.100 0.000 0.814 146 K HN 0.647 nan 8.250 nan 0.000 0.503 147 D N -0.409 119.768 120.400 -0.370 0.000 2.395 147 D HA 0.003 4.643 4.640 -0.000 0.000 0.213 147 D C 0.047 175.801 176.300 -0.910 0.000 1.110 147 D CA -0.153 53.542 54.000 -0.508 0.000 0.835 147 D CB 0.157 40.800 40.800 -0.261 0.000 0.965 147 D HN -0.229 nan 8.370 nan 0.000 0.505 148 V N 1.342 120.734 119.914 -0.869 0.000 2.394 148 V HA 0.409 4.529 4.120 -0.000 0.000 0.282 148 V C -0.710 174.834 176.094 -0.916 0.000 1.031 148 V CA -0.615 61.239 62.300 -0.743 0.000 0.881 148 V CB 0.737 32.306 31.823 -0.423 0.000 0.982 148 V HN -0.084 nan 8.190 nan 0.000 0.451 149 F N 2.585 122.417 119.950 -0.197 0.000 2.538 149 F HA 0.586 5.113 4.527 -0.000 0.000 0.325 149 F C 0.286 175.954 175.800 -0.221 0.000 1.066 149 F CA -0.967 56.915 58.000 -0.198 0.000 0.946 149 F CB 1.290 40.285 39.000 -0.008 0.000 1.199 149 F HN 0.406 nan 8.300 nan 0.000 0.473 150 H N 1.605 120.835 119.070 0.266 0.000 2.552 150 H HA 0.436 4.992 4.556 -0.000 0.000 0.311 150 H C -0.542 174.932 175.328 0.243 0.000 1.071 150 H CA -0.514 55.652 56.048 0.196 0.000 1.307 150 H CB 1.497 31.342 29.762 0.137 0.000 1.416 150 H HN 0.257 nan 8.280 nan 0.000 0.464 151 V N 5.934 126.052 119.914 0.340 0.000 2.546 151 V HA 0.213 4.333 4.120 -0.000 0.000 0.284 151 V C 0.762 177.030 176.094 0.289 0.000 1.050 151 V CA -0.288 62.187 62.300 0.291 0.000 0.981 151 V CB 0.972 32.954 31.823 0.265 0.000 0.990 151 V HN 0.582 nan 8.190 nan 0.000 0.474 152 I N 3.264 124.019 120.570 0.308 0.000 2.478 152 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 152 I C -0.643 175.664 176.117 0.317 0.000 1.042 152 I CA -0.565 60.935 61.300 0.335 0.000 1.067 152 I CB 2.013 40.273 38.000 0.433 0.000 1.233 152 I HN 0.527 nan 8.210 nan 0.000 0.431 153 D N 6.228 126.803 120.400 0.291 0.000 2.338 153 D HA -0.056 4.584 4.640 -0.000 0.000 0.255 153 D C 0.802 177.281 176.300 0.299 0.000 1.237 153 D CA 0.064 54.222 54.000 0.264 0.000 0.883 153 D CB 0.908 41.825 40.800 0.194 0.000 1.087 153 D HN 0.615 nan 8.370 nan 0.000 0.485 154 W N 5.146 126.490 121.300 0.073 0.000 2.342 154 W HA -0.217 4.443 4.660 -0.000 0.000 0.297 154 W C 1.707 178.231 176.519 0.009 0.000 1.213 154 W CA 0.765 58.114 57.345 0.007 0.000 1.251 154 W CB 0.214 29.694 29.460 0.034 0.000 1.136 154 W HN 0.469 nan 8.180 nan 0.000 0.526 155 K N 0.888 121.338 120.400 0.083 0.000 2.063 155 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 155 K C 2.218 178.757 176.600 -0.102 0.000 1.048 155 K CA 2.269 58.542 56.287 -0.025 0.000 0.928 155 K CB -0.536 32.002 32.500 0.062 0.000 0.713 155 K HN 0.163 nan 8.250 nan 0.000 0.442 156 S N 0.694 116.367 115.700 -0.045 0.000 2.447 156 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 156 S C 1.936 176.421 174.600 -0.192 0.000 1.006 156 S CA 0.969 59.154 58.200 -0.024 0.000 0.957 156 S CB -0.400 62.897 63.200 0.161 0.000 0.773 156 S HN 0.405 nan 8.310 nan 0.000 0.507 157 I N 0.513 120.741 120.570 -0.570 0.000 2.454 157 I HA 0.009 4.179 4.170 -0.000 0.000 0.254 157 I C 0.759 176.289 176.117 -0.978 0.000 1.156 157 I CA 1.189 61.798 61.300 -1.152 0.000 1.433 157 I CB -0.277 36.821 38.000 -1.503 0.000 1.082 157 I HN 0.262 nan 8.210 nan 0.000 0.432 158 F N 0.820 120.411 119.950 -0.599 0.000 2.639 158 F HA 0.350 4.877 4.527 -0.000 0.000 0.300 158 F C 0.675 176.026 175.800 -0.748 0.000 1.109 158 F CA -0.244 57.403 58.000 -0.589 0.000 1.335 158 F CB -0.449 38.276 39.000 -0.458 0.000 1.014 158 F HN 0.055 nan 8.300 nan 0.000 0.537 159 Q N -0.151 119.268 119.800 -0.634 0.000 2.345 159 Q HA 0.555 4.895 4.340 -0.000 0.000 0.268 159 Q C -1.254 174.286 176.000 -0.767 0.000 1.054 159 Q CA -0.738 54.711 55.803 -0.589 0.000 0.835 159 Q CB 2.552 31.158 28.738 -0.220 0.000 1.339 159 Q HN 0.012 nan 8.270 nan 0.000 0.447 160 F N 1.118 121.083 119.950 0.025 0.000 2.556 160 F HA 0.478 5.005 4.527 -0.000 0.000 0.327 160 F C -1.872 173.916 175.800 -0.019 0.000 1.059 160 F CA -2.572 55.435 58.000 0.011 0.000 0.953 160 F CB 0.565 39.568 39.000 0.005 0.000 1.227 160 F HN 0.329 nan 8.300 nan 0.000 0.478 161 P HA 0.130 nan 4.420 nan 0.000 0.280 161 P C -0.995 176.290 177.300 -0.024 0.000 1.300 161 P CA -0.409 62.715 63.100 0.040 0.000 0.785 161 P CB 1.003 32.718 31.700 0.026 0.000 0.874 162 K N 2.552 122.913 120.400 -0.065 0.000 2.258 162 K HA 0.549 4.869 4.320 -0.000 0.000 0.284 162 K C 0.077 176.577 176.600 -0.166 0.000 1.051 162 K CA -0.043 56.134 56.287 -0.183 0.000 0.923 162 K CB 0.408 32.776 32.500 -0.220 0.000 1.046 162 K HN 0.822 nan 8.250 nan 0.000 0.474 163 G N 2.706 111.364 108.800 -0.237 0.000 2.353 163 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.308 163 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.308 163 G C -1.767 173.011 174.900 -0.205 0.000 1.418 163 G CA -1.119 43.868 45.100 -0.188 0.000 0.966 163 G HN 0.424 nan 8.290 nan 0.000 0.638 164 Y N -0.366 119.871 120.300 -0.104 0.000 2.810 164 Y HA 0.344 4.894 4.550 -0.000 0.000 0.332 164 Y C 1.411 177.232 175.900 -0.132 0.000 1.243 164 Y CA 0.734 58.767 58.100 -0.112 0.000 1.537 164 Y CB 0.344 38.744 38.460 -0.100 0.000 1.265 164 Y HN 0.939 nan 8.280 nan 0.000 0.572 165 V N -0.277 119.607 119.914 -0.051 0.000 3.159 165 V HA 0.889 5.009 4.120 -0.000 0.000 0.308 165 V C -0.552 175.417 176.094 -0.208 0.000 1.190 165 V CA -0.611 61.587 62.300 -0.171 0.000 1.037 165 V CB 2.025 33.670 31.823 -0.297 0.000 1.060 165 V HN 0.747 nan 8.190 nan 0.000 0.437 166 T N 0.559 114.933 114.554 -0.299 0.000 2.716 166 T HA 0.854 5.204 4.350 -0.000 0.000 0.286 166 T C -1.934 172.501 174.700 -0.441 0.000 1.052 166 T CA -0.421 61.586 62.100 -0.157 0.000 1.024 166 T CB 1.638 70.518 68.868 0.021 0.000 1.349 166 T HN 0.661 nan 8.240 nan 0.000 0.525 167 F N 1.288 121.426 119.950 0.312 0.000 2.540 167 F HA 0.609 5.136 4.527 -0.000 0.000 0.317 167 F C 0.082 176.160 175.800 0.463 0.000 1.104 167 F CA -0.975 57.220 58.000 0.325 0.000 0.913 167 F CB 1.961 41.134 39.000 0.287 0.000 1.170 167 F HN 0.333 nan 8.300 nan 0.000 0.450 168 K N 1.560 122.278 120.400 0.529 0.000 2.265 168 K HA 0.679 4.999 4.320 -0.000 0.000 0.267 168 K C 0.107 176.848 176.600 0.234 0.000 0.994 168 K CA -0.432 56.060 56.287 0.343 0.000 0.860 168 K CB 1.234 33.854 32.500 0.200 0.000 1.099 168 K HN 0.873 nan 8.250 nan 0.000 0.448 169 G N 1.675 110.508 108.800 0.056 0.000 2.547 169 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.291 169 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.291 169 G C 0.594 175.316 174.900 -0.297 0.000 1.211 169 G CA -0.641 44.148 45.100 -0.518 0.000 0.950 169 G HN 0.874 nan 8.290 nan 0.000 0.504 170 N N -0.169 118.345 118.700 -0.309 0.000 2.571 170 N HA -0.118 4.622 4.740 -0.000 0.000 0.189 170 N C 0.863 176.288 175.510 -0.142 0.000 1.154 170 N CA 0.892 53.840 53.050 -0.171 0.000 0.907 170 N CB -0.147 38.257 38.487 -0.138 0.000 0.977 170 N HN 0.507 nan 8.380 nan 0.000 0.449 171 N N -0.814 117.784 118.700 -0.169 0.000 2.230 171 N HA 0.134 4.874 4.740 -0.000 0.000 0.202 171 N C 1.142 176.597 175.510 -0.091 0.000 1.119 171 N CA 0.474 53.461 53.050 -0.105 0.000 0.851 171 N CB -0.148 38.291 38.487 -0.081 0.000 0.990 171 N HN 0.275 nan 8.380 nan 0.000 0.497 172 G N -0.044 108.686 108.800 -0.116 0.000 2.199 172 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 172 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 172 G C -0.129 174.636 174.900 -0.224 0.000 0.982 172 G CA 0.284 45.302 45.100 -0.137 0.000 0.632 172 G HN 0.389 nan 8.290 nan 0.000 0.529 173 K N -0.055 120.262 120.400 -0.137 0.000 2.087 173 K HA 0.615 4.935 4.320 -0.000 0.000 0.255 173 K C -0.210 176.366 176.600 -0.041 0.000 0.988 173 K CA -0.727 55.496 56.287 -0.105 0.000 0.915 173 K CB 0.775 33.332 32.500 0.094 0.000 1.043 173 K HN 0.175 nan 8.250 nan 0.000 0.457 174 Y N 0.265 120.762 120.300 0.328 0.000 2.335 174 Y HA 0.237 4.787 4.550 -0.000 0.000 0.323 174 Y C 0.441 176.538 175.900 0.328 0.000 1.224 174 Y CA -0.922 57.378 58.100 0.333 0.000 1.241 174 Y CB 0.553 39.145 38.460 0.221 0.000 1.235 174 Y HN 0.304 nan 8.280 nan 0.000 0.492 175 L N 2.461 123.913 121.223 0.382 0.000 2.283 175 L HA 0.637 4.977 4.340 -0.000 0.000 0.287 175 L C 0.164 177.123 176.870 0.149 0.000 1.073 175 L CA 0.308 55.161 54.840 0.023 0.000 0.822 175 L CB -0.239 41.695 42.059 -0.209 0.000 1.186 175 L HN 0.713 nan 8.230 nan 0.000 0.436 176 G N 3.839 112.646 108.800 0.012 0.000 2.569 176 G HA2 0.574 4.534 3.960 -0.000 0.000 0.300 176 G HA3 0.574 4.534 3.960 -0.000 0.000 0.300 176 G C -1.213 173.637 174.900 -0.082 0.000 1.269 176 G CA -0.724 44.193 45.100 -0.304 0.000 0.959 176 G HN 0.414 nan 8.290 nan 0.000 0.478 177 V N 0.441 120.283 119.914 -0.119 0.000 2.843 177 V HA 0.446 4.566 4.120 -0.000 0.000 0.305 177 V C 0.064 176.188 176.094 0.049 0.000 1.065 177 V CA 0.186 62.482 62.300 -0.006 0.000 1.116 177 V CB 1.181 33.037 31.823 0.055 0.000 0.968 177 V HN 0.681 nan 8.190 nan 0.000 0.487 178 I N 2.496 123.093 120.570 0.045 0.000 2.710 178 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 178 I C -0.288 175.821 176.117 -0.013 0.000 1.318 178 I CA 0.293 61.615 61.300 0.037 0.000 1.045 178 I CB 2.338 40.352 38.000 0.024 0.000 1.307 178 I HN 0.616 nan 8.210 nan 0.000 0.424 179 T N 8.127 122.672 114.554 -0.014 0.000 2.743 179 T HA 0.655 5.005 4.350 -0.000 0.000 0.293 179 T C -0.276 174.363 174.700 -0.102 0.000 0.945 179 T CA 0.018 62.098 62.100 -0.033 0.000 1.030 179 T CB 0.072 68.940 68.868 -0.001 0.000 0.912 179 T HN 0.328 nan 8.240 nan 0.000 0.483 180 I N 3.744 124.221 120.570 -0.155 0.000 2.478 180 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 180 I C -0.184 175.808 176.117 -0.208 0.000 1.042 180 I CA -0.976 60.148 61.300 -0.293 0.000 1.067 180 I CB 1.595 39.228 38.000 -0.612 0.000 1.233 180 I HN 0.516 nan 8.210 nan 0.000 0.431 181 N N 6.133 124.743 118.700 -0.149 0.000 2.725 181 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 181 N C 0.325 175.846 175.510 0.017 0.000 1.031 181 N CA 0.753 53.782 53.050 -0.035 0.000 0.720 181 N CB -0.516 38.001 38.487 0.050 0.000 0.930 181 N HN 0.732 nan 8.380 nan 0.000 0.543 182 Q N -3.640 116.158 119.800 -0.002 0.000 2.305 182 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 182 Q C -0.045 175.974 176.000 0.033 0.000 0.663 182 Q CA 1.189 57.003 55.803 0.018 0.000 1.389 182 Q CB -1.418 27.337 28.738 0.028 0.000 1.566 182 Q HN 0.682 nan 8.270 nan 0.000 0.755 183 L N 2.936 124.181 121.223 0.036 0.000 2.275 183 L HA 0.331 4.671 4.340 -0.000 0.000 0.288 183 L C -1.786 175.099 176.870 0.025 0.000 1.046 183 L CA -1.722 53.151 54.840 0.054 0.000 0.805 183 L CB 1.116 43.234 42.059 0.098 0.000 1.193 183 L HN -0.230 nan 8.230 nan 0.000 0.426 184 P HA 0.142 nan 4.420 nan 0.000 0.256 184 P C -0.447 176.862 177.300 0.015 0.000 1.689 184 P CA -0.298 62.824 63.100 0.035 0.000 1.124 184 P CB 0.270 32.006 31.700 0.061 0.000 1.766 185 C N 3.436 122.722 119.300 -0.023 0.000 2.345 185 C HA 0.495 4.955 4.460 -0.000 0.000 0.369 185 C C 0.753 175.691 174.990 -0.086 0.000 1.273 185 C CA -0.505 58.477 59.018 -0.060 0.000 2.310 185 C CB 0.375 28.045 27.740 -0.116 0.000 2.219 185 C HN 0.412 nan 8.230 nan 0.000 0.587 186 L N 1.704 122.842 121.223 -0.141 0.000 2.349 186 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 186 L C -0.286 176.478 176.870 -0.177 0.000 0.996 186 L CA 0.114 54.819 54.840 -0.225 0.000 0.825 186 L CB 0.998 42.751 42.059 -0.511 0.000 1.243 186 L HN 0.695 nan 8.230 nan 0.000 0.412 187 Q N 2.478 122.220 119.800 -0.097 0.000 2.356 187 Q HA 0.447 4.787 4.340 -0.000 0.000 0.270 187 Q C -1.453 174.549 176.000 0.004 0.000 1.058 187 Q CA -0.761 55.029 55.803 -0.022 0.000 0.802 187 Q CB 2.051 30.812 28.738 0.038 0.000 1.303 187 Q HN 0.453 nan 8.270 nan 0.000 0.444 188 F N 2.538 122.570 119.950 0.138 0.000 2.567 188 F HA 0.375 4.902 4.527 -0.000 0.000 0.352 188 F C 1.028 176.878 175.800 0.085 0.000 1.229 188 F CA 0.087 58.172 58.000 0.143 0.000 1.228 188 F CB 1.108 40.166 39.000 0.098 0.000 1.568 188 F HN 0.751 nan 8.300 nan 0.000 0.634 189 G N 1.043 109.970 108.800 0.211 0.000 4.399 189 G HA2 0.084 4.044 3.960 -0.000 0.000 0.268 189 G HA3 0.084 4.044 3.960 -0.000 0.000 0.268 189 G C -0.627 174.171 174.900 -0.170 0.000 1.038 189 G CA 0.005 45.096 45.100 -0.016 0.000 0.811 189 G HN 0.241 nan 8.290 nan 0.000 0.408 190 Y N 1.057 121.423 120.300 0.109 0.000 2.334 190 Y HA 0.390 4.939 4.550 -0.000 0.000 0.328 190 Y C 0.817 176.833 175.900 0.193 0.000 1.130 190 Y CA -0.730 57.449 58.100 0.130 0.000 1.163 190 Y CB 1.735 40.283 38.460 0.148 0.000 1.207 190 Y HN -0.002 nan 8.280 nan 0.000 0.471 191 D N 0.363 120.933 120.400 0.284 0.000 2.388 191 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 191 D C -0.414 176.109 176.300 0.371 0.000 1.035 191 D CA 0.502 54.659 54.000 0.261 0.000 0.875 191 D CB 0.302 41.178 40.800 0.127 0.000 0.984 191 D HN 0.545 nan 8.370 nan 0.000 0.508 192 N N 1.128 120.005 118.700 0.296 0.000 2.408 192 N HA 0.123 4.863 4.740 -0.000 0.000 0.280 192 N C 0.854 176.362 175.510 -0.004 0.000 1.002 192 N CA -0.444 52.694 53.050 0.146 0.000 0.907 192 N CB 1.944 40.483 38.487 0.086 0.000 1.161 192 N HN -0.088 nan 8.380 nan 0.000 0.488 193 L N 0.854 121.953 121.223 -0.208 0.000 2.265 193 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 193 L C 1.444 178.184 176.870 -0.218 0.000 1.117 193 L CA 0.982 55.588 54.840 -0.391 0.000 0.782 193 L CB -0.385 41.441 42.059 -0.390 0.000 0.914 193 L HN 0.647 nan 8.230 nan 0.000 0.441 194 N N -1.783 116.837 118.700 -0.133 0.000 2.398 194 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 194 N C 0.433 175.883 175.510 -0.100 0.000 1.122 194 N CA 0.097 53.079 53.050 -0.113 0.000 0.866 194 N CB -0.428 38.010 38.487 -0.083 0.000 0.970 194 N HN 0.115 nan 8.380 nan 0.000 0.462 195 D N 3.007 123.354 120.400 -0.087 0.000 2.363 195 D HA 0.048 4.688 4.640 -0.000 0.000 0.263 195 D C -1.194 174.994 176.300 -0.187 0.000 1.258 195 D CA -1.596 52.346 54.000 -0.097 0.000 0.907 195 D CB 1.429 42.211 40.800 -0.029 0.000 1.107 195 D HN 0.114 nan 8.370 nan 0.000 0.495 196 P HA -0.165 nan 4.420 nan 0.000 0.222 196 P C 0.673 177.823 177.300 -0.250 0.000 1.142 196 P CA 0.893 63.916 63.100 -0.128 0.000 0.788 196 P CB 0.312 32.020 31.700 0.013 0.000 0.767 197 K N -0.571 119.511 120.400 -0.531 0.000 2.439 197 K HA 0.041 4.361 4.320 -0.000 0.000 0.197 197 K C 1.657 177.908 176.600 -0.581 0.000 1.041 197 K CA 0.359 56.196 56.287 -0.749 0.000 0.970 197 K CB -0.076 31.906 32.500 -0.864 0.000 0.773 197 K HN 0.065 nan 8.250 nan 0.000 0.479 198 V N 1.015 120.625 119.914 -0.506 0.000 3.647 198 V HA 0.138 4.258 4.120 -0.000 0.000 0.279 198 V C 0.223 176.140 176.094 -0.295 0.000 1.314 198 V CA -0.008 62.077 62.300 -0.358 0.000 1.125 198 V CB 0.197 31.846 31.823 -0.290 0.000 0.907 198 V HN 0.166 nan 8.190 nan 0.000 0.434 199 A N 0.251 122.856 122.820 -0.359 0.000 2.328 199 A HA 0.636 4.956 4.320 -0.000 0.000 0.284 199 A C -0.269 177.032 177.584 -0.472 0.000 1.160 199 A CA -0.160 51.736 52.037 -0.235 0.000 0.818 199 A CB 0.131 19.150 19.000 0.031 0.000 1.087 199 A HN 0.560 nan 8.150 nan 0.000 0.504 200 H N 0.780 119.897 119.070 0.078 0.000 2.907 200 H HA 0.529 5.085 4.556 -0.000 0.000 0.361 200 H C -1.089 174.159 175.328 -0.134 0.000 1.194 200 H CA -0.585 55.496 56.048 0.056 0.000 1.152 200 H CB 1.747 31.658 29.762 0.249 0.000 1.867 200 H HN 0.755 nan 8.280 nan 0.000 0.561 201 Q N 1.294 121.050 119.800 -0.073 0.000 2.274 201 Q HA 0.423 4.763 4.340 -0.000 0.000 0.268 201 Q C -0.792 174.996 176.000 -0.354 0.000 1.015 201 Q CA -0.417 55.198 55.803 -0.315 0.000 0.775 201 Q CB 3.047 31.550 28.738 -0.392 0.000 1.256 201 Q HN 0.352 nan 8.270 nan 0.000 0.442 202 M N 2.847 122.198 119.600 -0.414 0.000 2.157 202 M HA 0.456 4.936 4.480 -0.000 0.000 0.354 202 M C -1.189 174.872 176.300 -0.398 0.000 1.170 202 M CA -0.267 54.857 55.300 -0.292 0.000 1.060 202 M CB 0.669 33.165 32.600 -0.173 0.000 1.615 202 M HN 0.470 nan 8.290 nan 0.000 0.460 203 F N 2.347 122.319 119.950 0.036 0.000 2.426 203 F HA 0.488 5.015 4.527 -0.000 0.000 0.348 203 F C -0.180 175.673 175.800 0.087 0.000 1.124 203 F CA -0.919 57.127 58.000 0.075 0.000 1.008 203 F CB 1.244 40.310 39.000 0.110 0.000 1.139 203 F HN 0.144 nan 8.300 nan 0.000 0.452 204 V N 3.149 123.204 119.914 0.235 0.000 2.350 204 V HA 0.339 4.459 4.120 -0.000 0.000 0.276 204 V C 0.295 176.486 176.094 0.161 0.000 1.028 204 V CA -0.702 61.720 62.300 0.203 0.000 0.860 204 V CB 1.437 33.390 31.823 0.217 0.000 0.990 204 V HN 0.892 nan 8.190 nan 0.000 0.453 205 T N 1.427 116.059 114.554 0.129 0.000 2.816 205 T HA 0.176 4.526 4.350 -0.000 0.000 0.282 205 T C 1.453 176.188 174.700 0.059 0.000 0.993 205 T CA 0.107 62.258 62.100 0.085 0.000 0.994 205 T CB 1.222 70.124 68.868 0.057 0.000 1.025 205 T HN 0.728 nan 8.240 nan 0.000 0.529 206 S N 0.634 116.357 115.700 0.038 0.000 2.447 206 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 206 S C 1.405 176.011 174.600 0.011 0.000 1.006 206 S CA 0.934 59.148 58.200 0.023 0.000 0.957 206 S CB -1.031 62.178 63.200 0.016 0.000 0.773 206 S HN 0.927 nan 8.310 nan 0.000 0.507 207 N N 0.494 119.201 118.700 0.011 0.000 2.336 207 N HA 0.370 5.110 4.740 -0.000 0.000 0.189 207 N C 1.252 176.763 175.510 0.003 0.000 1.113 207 N CA 0.566 53.616 53.050 0.001 0.000 0.858 207 N CB -0.045 38.440 38.487 -0.004 0.000 0.970 207 N HN 0.496 nan 8.380 nan 0.000 0.471 208 G N -0.558 108.253 108.800 0.020 0.000 2.234 208 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.235 208 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.235 208 G C 0.337 175.277 174.900 0.067 0.000 0.997 208 G CA 0.409 45.527 45.100 0.030 0.000 0.623 208 G HN 0.767 nan 8.290 nan 0.000 0.514 209 T N -0.089 114.500 114.554 0.058 0.000 2.898 209 T HA 0.654 5.004 4.350 -0.000 0.000 0.301 209 T C 0.300 175.071 174.700 0.119 0.000 1.049 209 T CA -0.085 62.062 62.100 0.077 0.000 1.095 209 T CB 1.973 70.865 68.868 0.041 0.000 0.976 209 T HN 0.580 nan 8.240 nan 0.000 0.539 210 I N 1.551 122.214 120.570 0.154 0.000 2.530 210 I HA 0.498 4.668 4.170 -0.000 0.000 0.297 210 I C 0.172 176.423 176.117 0.223 0.000 1.011 210 I CA -0.975 60.423 61.300 0.163 0.000 1.107 210 I CB 1.895 39.940 38.000 0.075 0.000 1.285 210 I HN 0.996 nan 8.210 nan 0.000 0.436 211 C N 4.963 124.404 119.300 0.235 0.000 2.561 211 C HA 0.809 5.269 4.460 -0.000 0.000 0.319 211 C C -0.476 174.691 174.990 0.296 0.000 1.198 211 C CA -0.977 58.224 59.018 0.306 0.000 1.665 211 C CB 0.581 28.452 27.740 0.219 0.000 2.258 211 C HN 0.642 nan 8.230 nan 0.000 0.493 212 I N 2.007 122.657 120.570 0.133 0.000 2.466 212 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 212 I C -0.266 175.744 176.117 -0.177 0.000 1.026 212 I CA -0.413 60.713 61.300 -0.291 0.000 1.078 212 I CB 1.682 38.851 38.000 -1.386 0.000 1.249 212 I HN 0.763 nan 8.210 nan 0.000 0.429 213 K N 4.235 124.541 120.400 -0.157 0.000 2.235 213 K HA 0.373 4.693 4.320 -0.000 0.000 0.266 213 K C -0.222 176.396 176.600 0.030 0.000 0.980 213 K CA -0.357 55.726 56.287 -0.340 0.000 0.849 213 K CB 1.584 33.711 32.500 -0.622 0.000 1.098 213 K HN 0.615 nan 8.250 nan 0.000 0.445 214 S N 3.254 119.075 115.700 0.202 0.000 2.455 214 S HA 0.049 4.519 4.470 -0.000 0.000 0.278 214 S C 0.771 175.418 174.600 0.078 0.000 1.216 214 S CA -0.224 58.148 58.200 0.287 0.000 1.055 214 S CB 0.487 63.891 63.200 0.339 0.000 0.939 214 S HN 0.821 nan 8.310 nan 0.000 0.494 215 N N 3.399 122.117 118.700 0.029 0.000 2.069 215 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 215 N C 1.307 176.873 175.510 0.092 0.000 1.031 215 N CA 1.846 54.927 53.050 0.051 0.000 0.852 215 N CB -0.334 38.216 38.487 0.105 0.000 1.018 215 N HN 0.817 nan 8.380 nan 0.000 0.423 216 Y N 0.416 120.691 120.300 -0.040 0.000 2.114 216 Y HA -0.109 4.441 4.550 -0.000 0.000 0.284 216 Y C 1.964 177.860 175.900 -0.006 0.000 1.143 216 Y CA 1.484 59.565 58.100 -0.031 0.000 1.135 216 Y CB -0.061 38.361 38.460 -0.063 0.000 0.980 216 Y HN 0.094 nan 8.280 nan 0.000 0.499 217 M N -0.305 119.357 119.600 0.104 0.000 2.419 217 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 217 M C 0.834 177.131 176.300 -0.004 0.000 1.082 217 M CA 1.040 56.358 55.300 0.030 0.000 1.119 217 M CB -1.408 31.262 32.600 0.115 0.000 1.398 217 M HN 0.417 nan 8.290 nan 0.000 0.453 218 N N 1.615 120.313 118.700 -0.004 0.000 2.740 218 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 218 N C -1.126 174.370 175.510 -0.024 0.000 1.062 218 N CA 0.618 53.648 53.050 -0.033 0.000 0.704 218 N CB -0.331 38.139 38.487 -0.028 0.000 0.968 218 N HN 0.162 nan 8.380 nan 0.000 0.547 219 K N -0.012 120.381 120.400 -0.011 0.000 2.512 219 K HA 0.426 4.746 4.320 -0.000 0.000 0.263 219 K C -0.482 176.158 176.600 0.066 0.000 0.966 219 K CA -0.476 55.861 56.287 0.084 0.000 0.851 219 K CB 0.681 33.271 32.500 0.150 0.000 1.395 219 K HN 0.008 nan 8.250 nan 0.000 0.440 220 F N 0.308 120.383 119.950 0.209 0.000 2.377 220 F HA 0.313 4.840 4.527 -0.000 0.000 0.328 220 F C 0.552 176.606 175.800 0.422 0.000 1.094 220 F CA -0.330 57.842 58.000 0.288 0.000 1.093 220 F CB 0.504 39.617 39.000 0.187 0.000 1.214 220 F HN 0.276 nan 8.300 nan 0.000 0.518 221 W N 2.461 123.971 121.300 0.350 0.000 2.223 221 W HA 0.405 5.065 4.660 -0.000 0.000 0.334 221 W C 0.244 176.972 176.519 0.348 0.000 1.334 221 W CA -0.789 56.735 57.345 0.299 0.000 1.246 221 W CB 0.005 29.619 29.460 0.257 0.000 1.184 221 W HN 0.258 nan 8.180 nan 0.000 0.563 222 R N 3.161 123.929 120.500 0.447 0.000 2.515 222 R HA 0.326 4.666 4.340 -0.000 0.000 0.278 222 R C -1.300 175.112 176.300 0.187 0.000 1.107 222 R CA -1.095 55.171 56.100 0.276 0.000 0.945 222 R CB 1.335 31.755 30.300 0.199 0.000 1.219 222 R HN 0.473 nan 8.270 nan 0.000 0.434 223 L N 2.723 124.008 121.223 0.102 0.000 2.485 223 L HA 0.295 4.635 4.340 -0.000 0.000 0.275 223 L C -0.265 176.628 176.870 0.038 0.000 1.207 223 L CA 1.266 56.138 54.840 0.052 0.000 0.855 223 L CB 1.283 43.316 42.059 -0.044 0.000 1.114 223 L HN 0.788 nan 8.230 nan 0.000 0.485 224 S N 1.426 117.154 115.700 0.046 0.000 4.078 224 S HA 0.372 4.842 4.470 -0.000 0.000 0.290 224 S C -0.665 173.954 174.600 0.033 0.000 1.069 224 S CA 0.036 58.261 58.200 0.043 0.000 1.246 224 S CB 0.435 63.684 63.200 0.082 0.000 1.659 224 S HN 0.710 nan 8.310 nan 0.000 0.624 225 T N 3.368 117.965 114.554 0.072 0.000 2.819 225 T HA 0.105 4.455 4.350 -0.000 0.000 0.282 225 T C -0.463 174.272 174.700 0.058 0.000 1.013 225 T CA 1.504 63.649 62.100 0.074 0.000 1.159 225 T CB -0.569 68.374 68.868 0.126 0.000 1.007 225 T HN 0.600 nan 8.240 nan 0.000 0.514 226 D N 2.060 122.423 120.400 -0.063 0.000 2.955 226 D HA -0.175 4.465 4.640 -0.000 0.000 0.226 226 D C 0.400 176.422 176.300 -0.462 0.000 1.178 226 D CA 1.342 55.201 54.000 -0.235 0.000 0.808 226 D CB -0.834 39.837 40.800 -0.214 0.000 1.099 226 D HN 0.848 nan 8.370 nan 0.000 0.421 227 D N -2.805 117.418 120.400 -0.295 0.000 3.041 227 D HA -0.239 4.401 4.640 -0.000 0.000 0.220 227 D C -0.008 176.122 176.300 -0.283 0.000 1.157 227 D CA 0.992 54.812 54.000 -0.300 0.000 0.876 227 D CB -1.587 38.983 40.800 -0.384 0.000 1.107 227 D HN 0.564 nan 8.370 nan 0.000 0.422 228 W N 0.217 121.492 121.300 -0.042 0.000 2.251 228 W HA 0.404 5.064 4.660 -0.000 0.000 0.329 228 W C 1.173 177.697 176.519 0.009 0.000 1.234 228 W CA -0.872 56.471 57.345 -0.003 0.000 1.228 228 W CB 0.589 30.053 29.460 0.006 0.000 1.135 228 W HN -0.113 nan 8.180 nan 0.000 0.576 229 I N 4.758 125.498 120.570 0.284 0.000 2.281 229 I HA 0.167 4.337 4.170 -0.000 0.000 0.293 229 I C -0.021 176.149 176.117 0.087 0.000 1.085 229 I CA -0.436 60.960 61.300 0.161 0.000 1.257 229 I CB -0.853 37.200 38.000 0.088 0.000 1.430 229 I HN 0.230 nan 8.210 nan 0.000 0.489 230 L N 6.000 127.300 121.223 0.128 0.000 2.399 230 L HA 0.466 4.806 4.340 -0.000 0.000 0.265 230 L C 0.205 177.131 176.870 0.093 0.000 1.089 230 L CA -0.916 53.980 54.840 0.095 0.000 0.802 230 L CB 1.716 43.850 42.059 0.124 0.000 1.180 230 L HN 0.153 nan 8.230 nan 0.000 0.454 231 V N 1.442 121.404 119.914 0.079 0.000 2.184 231 V HA 0.140 4.260 4.120 -0.000 0.000 0.262 231 V C -0.220 175.966 176.094 0.154 0.000 1.209 231 V CA -0.097 62.285 62.300 0.137 0.000 1.070 231 V CB 0.006 31.896 31.823 0.113 0.000 1.244 231 V HN 0.923 nan 8.190 nan 0.000 0.477 232 D N 1.366 121.873 120.400 0.178 0.000 2.497 232 D HA 0.121 4.761 4.640 -0.000 0.000 0.256 232 D C 0.807 177.211 176.300 0.174 0.000 1.273 232 D CA 0.144 54.234 54.000 0.151 0.000 0.812 232 D CB 0.367 41.235 40.800 0.113 0.000 1.190 232 D HN 0.395 nan 8.370 nan 0.000 0.524 233 G N 0.237 109.182 108.800 0.241 0.000 2.503 233 G HA2 0.310 4.270 3.960 -0.000 0.000 0.257 233 G HA3 0.310 4.270 3.960 -0.000 0.000 0.257 233 G C 0.226 175.289 174.900 0.273 0.000 1.214 233 G CA -0.369 44.870 45.100 0.233 0.000 0.839 233 G HN 0.002 nan 8.290 nan 0.000 0.559 234 N N 0.004 118.778 118.700 0.123 0.000 2.413 234 N HA 0.111 4.851 4.740 -0.000 0.000 0.266 234 N C -0.212 175.178 175.510 -0.199 0.000 1.238 234 N CA -0.480 52.607 53.050 0.062 0.000 0.972 234 N CB 0.841 39.329 38.487 0.001 0.000 1.210 234 N HN 0.472 nan 8.380 nan 0.000 0.547 235 D N 1.596 121.781 120.400 -0.358 0.000 2.349 235 D HA 0.037 4.677 4.640 -0.000 0.000 0.266 235 D C -1.444 174.520 176.300 -0.560 0.000 1.293 235 D CA -1.277 52.200 54.000 -0.872 0.000 0.926 235 D CB 0.746 41.265 40.800 -0.468 0.000 1.090 235 D HN 0.264 nan 8.370 nan 0.000 0.502 236 P HA -0.082 nan 4.420 nan 0.000 0.230 236 P C 0.908 178.072 177.300 -0.227 0.000 1.158 236 P CA 0.420 63.340 63.100 -0.301 0.000 0.769 236 P CB 0.328 31.887 31.700 -0.236 0.000 0.807 237 R N -0.094 120.244 120.500 -0.269 0.000 2.276 237 R HA -0.013 4.327 4.340 -0.000 0.000 0.203 237 R C 2.156 178.373 176.300 -0.137 0.000 1.017 237 R CA 0.783 56.782 56.100 -0.169 0.000 1.010 237 R CB -0.085 30.113 30.300 -0.171 0.000 0.900 237 R HN 0.326 nan 8.270 nan 0.000 0.469 238 E N -0.451 119.654 120.200 -0.158 0.000 2.306 238 E HA -0.052 4.298 4.350 -0.000 0.000 0.201 238 E C 1.512 178.054 176.600 -0.097 0.000 0.874 238 E CA 0.828 57.160 56.400 -0.112 0.000 0.972 238 E CB 0.436 30.071 29.700 -0.109 0.000 0.957 238 E HN 0.222 nan 8.360 nan 0.000 0.492 239 T N -1.337 113.148 114.554 -0.116 0.000 3.014 239 T HA 0.013 4.363 4.350 -0.000 0.000 0.263 239 T C 0.881 175.532 174.700 -0.082 0.000 1.078 239 T CA 0.560 62.606 62.100 -0.090 0.000 1.135 239 T CB -0.065 68.748 68.868 -0.092 0.000 0.895 239 T HN 0.106 nan 8.240 nan 0.000 0.480 240 N N 1.588 120.231 118.700 -0.094 0.000 2.714 240 N HA -0.152 4.588 4.740 -0.000 0.000 0.250 240 N C -0.389 175.075 175.510 -0.077 0.000 1.117 240 N CA 0.894 53.896 53.050 -0.079 0.000 0.719 240 N CB -1.375 37.075 38.487 -0.062 0.000 1.081 240 N HN 0.812 nan 8.380 nan 0.000 0.557 241 E N 0.256 120.405 120.200 -0.085 0.000 2.129 241 E HA 0.352 4.702 4.350 -0.000 0.000 0.283 241 E C 1.240 177.785 176.600 -0.092 0.000 1.080 241 E CA 0.349 56.702 56.400 -0.078 0.000 0.867 241 E CB 0.523 30.183 29.700 -0.066 0.000 1.056 241 E HN 0.306 nan 8.360 nan 0.000 0.404 242 A N 4.630 127.392 122.820 -0.096 0.000 2.032 242 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 242 A C 2.098 179.581 177.584 -0.169 0.000 1.165 242 A CA 1.813 53.776 52.037 -0.124 0.000 0.645 242 A CB -0.431 18.502 19.000 -0.111 0.000 0.807 242 A HN 0.742 nan 8.150 nan 0.000 0.453 243 A N -0.805 121.933 122.820 -0.138 0.000 2.070 243 A HA 0.256 4.576 4.320 -0.000 0.000 0.220 243 A C 1.986 179.465 177.584 -0.176 0.000 1.159 243 A CA 1.682 53.629 52.037 -0.150 0.000 0.656 243 A CB -0.494 18.457 19.000 -0.082 0.000 0.800 243 A HN 1.165 nan 8.150 nan 0.000 0.453 244 A N -1.071 121.674 122.820 -0.124 0.000 2.465 244 A HA 0.602 4.922 4.320 -0.000 0.000 0.255 244 A C 0.288 177.838 177.584 -0.056 0.000 1.274 244 A CA -0.298 51.727 52.037 -0.020 0.000 0.920 244 A CB -0.059 18.981 19.000 0.067 0.000 1.033 244 A HN 0.336 nan 8.150 nan 0.000 0.516 245 L N -0.223 120.848 121.223 -0.254 0.000 2.334 245 L HA 0.695 5.035 4.340 -0.000 0.000 0.276 245 L C -0.998 175.632 176.870 -0.399 0.000 1.014 245 L CA -0.666 54.081 54.840 -0.154 0.000 0.815 245 L CB 1.727 43.724 42.059 -0.103 0.000 1.268 245 L HN 0.237 nan 8.230 nan 0.000 0.428 246 F N 0.898 120.854 119.950 0.009 0.000 2.603 246 F HA 0.646 5.173 4.527 -0.000 0.000 0.317 246 F C -0.032 175.769 175.800 0.002 0.000 1.066 246 F CA -0.811 57.192 58.000 0.005 0.000 0.941 246 F CB 1.918 40.917 39.000 -0.002 0.000 1.291 246 F HN 0.227 nan 8.300 nan 0.000 0.472 247 R N 0.557 121.174 120.500 0.195 0.000 2.628 247 R HA 0.607 4.947 4.340 -0.000 0.000 0.288 247 R C -1.109 175.293 176.300 0.169 0.000 0.980 247 R CA -0.763 55.417 56.100 0.134 0.000 0.891 247 R CB 2.430 32.769 30.300 0.065 0.000 1.188 247 R HN 0.832 nan 8.270 nan 0.000 0.450 248 S N 0.230 116.032 115.700 0.169 0.000 2.651 248 S HA 0.330 4.800 4.470 -0.000 0.000 0.291 248 S C -0.532 174.178 174.600 0.185 0.000 1.141 248 S CA -0.848 57.462 58.200 0.182 0.000 1.027 248 S CB 1.995 65.290 63.200 0.158 0.000 1.043 248 S HN 0.527 nan 8.310 nan 0.000 0.530 249 D N 1.324 121.806 120.400 0.136 0.000 2.454 249 D HA 0.344 4.984 4.640 -0.000 0.000 0.247 249 D C -0.797 175.368 176.300 -0.226 0.000 1.129 249 D CA -0.614 53.393 54.000 0.012 0.000 0.877 249 D CB 1.110 41.921 40.800 0.019 0.000 1.082 249 D HN 0.363 nan 8.370 nan 0.000 0.537 250 V N 5.538 125.393 119.914 -0.097 0.000 2.508 250 V HA 0.108 4.228 4.120 -0.000 0.000 0.281 250 V C 1.377 177.285 176.094 -0.311 0.000 1.041 250 V CA -0.157 62.044 62.300 -0.166 0.000 1.016 250 V CB 1.081 32.834 31.823 -0.116 0.000 0.984 250 V HN 0.605 nan 8.190 nan 0.000 0.478 251 H N 1.883 120.953 119.070 0.000 0.000 2.516 251 H HA 0.299 4.855 4.556 -0.000 0.000 0.284 251 H C 0.218 175.522 175.328 -0.041 0.000 0.999 251 H CA 0.444 56.482 56.048 -0.017 0.000 1.303 251 H CB 0.899 30.659 29.762 -0.004 0.000 1.452 251 H HN 0.699 nan 8.280 nan 0.000 0.530 252 D N -1.415 119.014 120.400 0.049 0.000 2.710 252 D HA 0.076 4.716 4.640 -0.000 0.000 0.276 252 D C -1.186 175.118 176.300 0.006 0.000 1.267 252 D CA -0.696 53.308 54.000 0.008 0.000 0.772 252 D CB 0.672 41.540 40.800 0.113 0.000 1.299 252 D HN -0.256 nan 8.370 nan 0.000 0.421 253 F N 2.179 122.126 119.950 -0.005 0.000 2.569 253 F HA 0.054 4.581 4.527 -0.000 0.000 0.395 253 F C 1.489 177.321 175.800 0.054 0.000 1.028 253 F CA 0.721 58.718 58.000 -0.005 0.000 1.158 253 F CB -0.352 38.648 39.000 0.000 0.000 1.023 253 F HN 0.272 nan 8.300 nan 0.000 0.547 254 N N 0.738 119.609 118.700 0.286 0.000 2.782 254 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 254 N C -1.219 174.424 175.510 0.221 0.000 1.101 254 N CA 0.797 53.998 53.050 0.252 0.000 0.764 254 N CB -1.371 37.241 38.487 0.207 0.000 1.122 254 N HN 0.218 nan 8.380 nan 0.000 0.561 255 V N 1.315 121.355 119.914 0.210 0.000 2.419 255 V HA 0.658 4.778 4.120 -0.000 0.000 0.287 255 V C 0.480 176.726 176.094 0.253 0.000 1.017 255 V CA -0.779 61.656 62.300 0.225 0.000 0.844 255 V CB 1.369 33.312 31.823 0.201 0.000 1.011 255 V HN 0.268 nan 8.190 nan 0.000 0.429 256 I N 1.263 121.987 120.570 0.257 0.000 3.343 256 I HA 0.922 5.092 4.170 -0.000 0.000 0.315 256 I C -0.516 175.716 176.117 0.192 0.000 1.153 256 I CA -0.652 60.734 61.300 0.144 0.000 0.952 256 I CB 2.688 40.751 38.000 0.106 0.000 1.287 256 I HN 0.344 nan 8.210 nan 0.000 0.472 257 S N 1.685 117.447 115.700 0.102 0.000 2.541 257 S HA 0.740 5.210 4.470 -0.000 0.000 0.280 257 S C -0.933 173.824 174.600 0.262 0.000 1.112 257 S CA -0.590 57.711 58.200 0.169 0.000 0.925 257 S CB 1.870 65.078 63.200 0.012 0.000 1.067 257 S HN 0.469 nan 8.310 nan 0.000 0.479 258 L N 2.799 124.232 121.223 0.351 0.000 2.356 258 L HA 0.587 4.927 4.340 -0.000 0.000 0.277 258 L C -1.014 176.125 176.870 0.447 0.000 0.996 258 L CA -0.723 54.315 54.840 0.330 0.000 0.822 258 L CB 1.540 43.662 42.059 0.105 0.000 1.256 258 L HN 0.447 nan 8.230 nan 0.000 0.413 259 L N 4.371 125.747 121.223 0.255 0.000 2.275 259 L HA 0.362 4.702 4.340 -0.000 0.000 0.288 259 L C 0.200 177.095 176.870 0.043 0.000 1.046 259 L CA 0.125 54.899 54.840 -0.110 0.000 0.805 259 L CB 1.065 42.884 42.059 -0.401 0.000 1.193 259 L HN 0.573 nan 8.230 nan 0.000 0.426 260 N N 4.685 123.375 118.700 -0.016 0.000 2.458 260 N HA 0.023 4.763 4.740 -0.000 0.000 0.270 260 N C 0.625 175.981 175.510 -0.256 0.000 1.102 260 N CA -0.529 52.353 53.050 -0.280 0.000 0.967 260 N CB 1.130 39.492 38.487 -0.208 0.000 1.078 260 N HN 0.658 nan 8.380 nan 0.000 0.471 261 M N 2.453 121.862 119.600 -0.319 0.000 2.549 261 M HA -0.091 4.389 4.480 -0.000 0.000 0.260 261 M C 1.638 177.835 176.300 -0.172 0.000 1.076 261 M CA 1.000 56.178 55.300 -0.204 0.000 1.090 261 M CB -1.032 31.463 32.600 -0.176 0.000 1.418 261 M HN 0.658 nan 8.290 nan 0.000 0.486 262 Q N 0.767 120.450 119.800 -0.195 0.000 2.134 262 Q HA -0.016 4.324 4.340 -0.000 0.000 0.195 262 Q C 1.901 177.806 176.000 -0.159 0.000 0.958 262 Q CA 1.566 57.274 55.803 -0.158 0.000 0.840 262 Q CB -0.015 28.629 28.738 -0.156 0.000 0.918 262 Q HN 0.407 nan 8.270 nan 0.000 0.467 263 K N -0.070 120.223 120.400 -0.179 0.000 2.379 263 K HA 0.026 4.346 4.320 -0.000 0.000 0.194 263 K C -0.418 176.107 176.600 -0.126 0.000 1.031 263 K CA 1.001 57.152 56.287 -0.225 0.000 1.037 263 K CB 0.205 32.519 32.500 -0.310 0.000 0.824 263 K HN 0.463 nan 8.250 nan 0.000 0.516 264 T N -1.673 112.838 114.554 -0.072 0.000 3.795 264 T HA -0.194 4.156 4.350 -0.000 0.000 0.370 264 T C -0.675 174.098 174.700 0.123 0.000 0.761 264 T CA 0.840 62.923 62.100 -0.028 0.000 1.923 264 T CB -2.221 66.637 68.868 -0.016 0.000 1.795 264 T HN 0.265 nan 8.240 nan 0.000 0.762 265 W N -0.183 120.955 121.300 -0.270 0.000 2.950 265 W HA 0.741 5.401 4.660 -0.000 0.000 0.340 265 W C -0.241 176.100 176.519 -0.296 0.000 1.139 265 W CA -2.150 55.040 57.345 -0.259 0.000 1.188 265 W CB 0.948 30.322 29.460 -0.143 0.000 1.426 265 W HN 0.179 nan 8.180 nan 0.000 0.531 266 F N 3.832 123.870 119.950 0.148 0.000 2.429 266 F HA 0.317 4.844 4.527 -0.000 0.000 0.348 266 F C 1.163 177.053 175.800 0.149 0.000 1.109 266 F CA -0.639 57.437 58.000 0.128 0.000 1.232 266 F CB 0.321 39.355 39.000 0.057 0.000 1.157 266 F HN 0.017 nan 8.300 nan 0.000 0.564 267 I N 1.490 122.277 120.570 0.362 0.000 2.532 267 I HA 0.599 4.769 4.170 -0.000 0.000 0.292 267 I C -0.744 175.524 176.117 0.252 0.000 1.014 267 I CA -0.681 60.786 61.300 0.277 0.000 1.340 267 I CB 1.489 39.669 38.000 0.300 0.000 1.422 267 I HN 0.741 nan 8.210 nan 0.000 0.528 268 K N 3.869 124.404 120.400 0.225 0.000 2.578 268 K HA 0.434 4.754 4.320 -0.000 0.000 0.287 268 K C -1.132 175.668 176.600 0.334 0.000 1.010 268 K CA -1.136 55.291 56.287 0.233 0.000 0.889 268 K CB 1.301 33.898 32.500 0.160 0.000 1.514 268 K HN 0.685 nan 8.250 nan 0.000 0.424 269 R N 0.953 121.634 120.500 0.302 0.000 2.449 269 R HA 0.238 4.578 4.340 -0.000 0.000 0.296 269 R C -1.455 175.101 176.300 0.426 0.000 1.047 269 R CA 0.014 56.334 56.100 0.368 0.000 1.018 269 R CB 0.162 30.475 30.300 0.022 0.000 0.962 269 R HN 0.591 nan 8.270 nan 0.000 0.428 270 F N 2.176 122.302 119.950 0.292 0.000 2.596 270 F HA 0.322 4.849 4.527 -0.000 0.000 0.311 270 F C -1.219 174.794 175.800 0.354 0.000 1.116 270 F CA -0.421 57.738 58.000 0.265 0.000 0.957 270 F CB 2.514 41.644 39.000 0.217 0.000 1.250 270 F HN 0.395 nan 8.300 nan 0.000 0.444 271 T N 3.178 117.580 114.554 -0.253 0.000 2.809 271 T HA 0.216 4.566 4.350 -0.000 0.000 0.296 271 T C 0.641 175.038 174.700 -0.505 0.000 1.015 271 T CA -0.052 61.956 62.100 -0.153 0.000 0.954 271 T CB 1.136 69.957 68.868 -0.079 0.000 0.950 271 T HN 0.637 nan 8.240 nan 0.000 0.450 272 S N 2.156 117.745 115.700 -0.185 0.000 2.562 272 S HA 0.280 4.750 4.470 -0.000 0.000 0.221 272 S C 1.938 176.518 174.600 -0.035 0.000 0.975 272 S CA 0.689 58.767 58.200 -0.202 0.000 0.918 272 S CB -0.175 63.166 63.200 0.234 0.000 0.772 272 S HN 1.166 nan 8.310 nan 0.000 0.531 273 G N 1.524 110.336 108.800 0.020 0.000 2.420 273 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.221 273 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.221 273 G C 0.075 175.036 174.900 0.103 0.000 1.117 273 G CA 0.095 45.218 45.100 0.039 0.000 0.657 273 G HN 0.760 nan 8.290 nan 0.000 0.512 274 K N 3.261 123.766 120.400 0.176 0.000 2.448 274 K HA 0.329 4.649 4.320 -0.000 0.000 0.278 274 K C -1.777 174.986 176.600 0.272 0.000 1.009 274 K CA -0.756 55.674 56.287 0.238 0.000 0.995 274 K CB 0.553 33.238 32.500 0.308 0.000 0.917 274 K HN 0.223 nan 8.250 nan 0.000 0.481 275 P HA -0.058 nan 4.420 nan 0.000 0.262 275 P C 0.492 177.754 177.300 -0.063 0.000 1.182 275 P CA 0.944 64.074 63.100 0.050 0.000 0.761 275 P CB 0.725 32.437 31.700 0.021 0.000 0.795 276 G N 2.807 111.511 108.800 -0.160 0.000 2.284 276 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.230 276 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.230 276 G C -0.032 174.542 174.900 -0.545 0.000 1.021 276 G CA -0.415 44.444 45.100 -0.402 0.000 0.619 276 G HN 0.434 nan 8.290 nan 0.000 0.510 277 F N 1.620 121.497 119.950 -0.121 0.000 2.499 277 F HA 0.661 5.188 4.527 -0.000 0.000 0.353 277 F C 0.254 176.017 175.800 -0.061 0.000 1.196 277 F CA -0.619 57.263 58.000 -0.197 0.000 1.244 277 F CB 0.392 39.260 39.000 -0.220 0.000 1.577 277 F HN -0.073 nan 8.300 nan 0.000 0.614 278 I N 2.601 123.188 120.570 0.028 0.000 2.406 278 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 278 I C 0.075 176.250 176.117 0.097 0.000 0.999 278 I CA -0.937 60.395 61.300 0.055 0.000 1.124 278 I CB 1.162 39.161 38.000 -0.001 0.000 1.289 278 I HN 0.323 nan 8.210 nan 0.000 0.441 279 N N 2.754 121.553 118.700 0.165 0.000 2.725 279 N HA -0.184 4.555 4.740 -0.000 0.000 0.251 279 N C -0.961 174.749 175.510 0.333 0.000 1.031 279 N CA 0.509 53.713 53.050 0.257 0.000 0.720 279 N CB -1.134 37.483 38.487 0.218 0.000 0.930 279 N HN 0.486 nan 8.380 nan 0.000 0.543 280 C N 0.382 119.907 119.300 0.375 0.000 2.397 280 C HA 0.515 4.975 4.460 -0.000 0.000 0.343 280 C C 1.344 176.646 174.990 0.520 0.000 1.188 280 C CA -0.895 58.318 59.018 0.326 0.000 1.992 280 C CB 1.159 28.949 27.740 0.083 0.000 2.358 280 C HN 0.470 nan 8.230 nan 0.000 0.518 281 M N 4.503 124.281 119.600 0.297 0.000 2.268 281 M HA 0.204 4.684 4.480 -0.000 0.000 0.349 281 M C -0.138 176.393 176.300 0.386 0.000 1.485 281 M CA 0.919 56.370 55.300 0.252 0.000 1.094 281 M CB -0.559 31.982 32.600 -0.099 0.000 1.843 281 M HN 0.751 nan 8.290 nan 0.000 0.460 282 N N 3.426 122.293 118.700 0.278 0.000 2.264 282 N HA 0.502 5.241 4.740 -0.000 0.000 0.288 282 N C -1.711 173.770 175.510 -0.048 0.000 1.094 282 N CA -0.410 52.655 53.050 0.025 0.000 0.817 282 N CB 1.870 40.163 38.487 -0.324 0.000 1.604 282 N HN 0.686 nan 8.380 nan 0.000 0.473 283 A N 2.319 125.097 122.820 -0.071 0.000 3.037 283 A HA 0.507 4.827 4.320 -0.000 0.000 0.272 283 A C 0.748 178.365 177.584 0.056 0.000 1.723 283 A CA 0.082 52.144 52.037 0.041 0.000 1.413 283 A CB -0.972 18.039 19.000 0.018 0.000 1.112 283 A HN 0.649 nan 8.150 nan 0.000 0.606 284 A N 0.936 123.754 122.820 -0.004 0.000 2.430 284 A HA 0.481 4.801 4.320 -0.000 0.000 0.243 284 A C 0.793 178.432 177.584 0.092 0.000 1.254 284 A CA 0.581 52.584 52.037 -0.058 0.000 0.914 284 A CB 0.199 18.716 19.000 -0.804 0.000 0.998 284 A HN 0.600 nan 8.150 nan 0.000 0.515 285 T N -1.385 113.194 114.554 0.042 0.000 2.991 285 T HA 0.275 4.625 4.350 -0.000 0.000 0.303 285 T C 0.509 174.822 174.700 -0.645 0.000 1.015 285 T CA -0.342 61.573 62.100 -0.308 0.000 1.007 285 T CB 1.482 70.296 68.868 -0.089 0.000 1.034 285 T HN 0.329 nan 8.240 nan 0.000 0.446 286 Q N 2.823 121.891 119.800 -1.219 0.000 2.084 286 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 286 Q C 0.232 176.049 176.000 -0.304 0.000 0.978 286 Q CA 1.272 56.348 55.803 -1.212 0.000 0.844 286 Q CB 0.213 28.378 28.738 -0.954 0.000 0.898 286 Q HN 0.570 nan 8.270 nan 0.000 0.426 287 N N -0.815 117.816 118.700 -0.115 0.000 2.402 287 N HA 0.231 4.971 4.740 -0.000 0.000 0.294 287 N C -1.207 174.282 175.510 -0.034 0.000 1.203 287 N CA -0.487 52.613 53.050 0.084 0.000 0.838 287 N CB 1.700 40.170 38.487 -0.028 0.000 1.306 287 N HN -0.143 nan 8.380 nan 0.000 0.510 288 V N 1.869 121.588 119.914 -0.325 0.000 2.540 288 V HA -0.021 4.099 4.120 -0.000 0.000 0.297 288 V C 0.214 176.183 176.094 -0.209 0.000 1.024 288 V CA 0.398 62.432 62.300 -0.444 0.000 1.105 288 V CB -0.188 31.343 31.823 -0.486 0.000 0.938 288 V HN 0.763 nan 8.190 nan 0.000 0.482 289 D N 3.539 123.849 120.400 -0.151 0.000 2.497 289 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 289 D C 0.962 177.199 176.300 -0.104 0.000 1.039 289 D CA -0.704 53.234 54.000 -0.103 0.000 1.052 289 D CB 0.766 41.532 40.800 -0.058 0.000 1.344 289 D HN 0.482 nan 8.370 nan 0.000 0.553 290 E N -0.365 119.782 120.200 -0.088 0.000 2.204 290 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 290 E C 1.040 177.591 176.600 -0.082 0.000 0.990 290 E CA 1.770 58.115 56.400 -0.092 0.000 0.821 290 E CB -0.844 28.811 29.700 -0.076 0.000 0.750 290 E HN 0.591 nan 8.360 nan 0.000 0.477 291 T N -2.047 112.475 114.554 -0.053 0.000 3.148 291 T HA 0.410 4.760 4.350 -0.000 0.000 0.253 291 T C 1.663 176.348 174.700 -0.026 0.000 1.134 291 T CA 0.474 62.544 62.100 -0.049 0.000 1.051 291 T CB 0.357 69.234 68.868 0.015 0.000 0.959 291 T HN 0.275 nan 8.240 nan 0.000 0.525 292 A N 0.434 123.243 122.820 -0.019 0.000 2.348 292 A HA 0.537 4.857 4.320 -0.000 0.000 0.224 292 A C 0.541 178.142 177.584 0.028 0.000 1.227 292 A CA -0.383 51.670 52.037 0.026 0.000 0.885 292 A CB -0.191 18.808 19.000 -0.001 0.000 0.933 292 A HN 0.483 nan 8.150 nan 0.000 0.506 293 I N 1.227 121.785 120.570 -0.019 0.000 2.371 293 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 293 I C -0.485 175.673 176.117 0.069 0.000 1.028 293 I CA 0.236 61.547 61.300 0.019 0.000 1.345 293 I CB 1.250 39.192 38.000 -0.097 0.000 1.407 293 I HN 0.141 nan 8.210 nan 0.000 0.501 294 L N 6.306 127.626 121.223 0.163 0.000 2.341 294 L HA 0.550 4.890 4.340 -0.000 0.000 0.278 294 L C -0.085 176.945 176.870 0.265 0.000 1.005 294 L CA -0.682 54.301 54.840 0.239 0.000 0.818 294 L CB 1.592 43.829 42.059 0.297 0.000 1.259 294 L HN 0.527 nan 8.230 nan 0.000 0.418 295 E N 3.397 123.755 120.200 0.264 0.000 2.174 295 E HA 0.426 4.776 4.350 -0.000 0.000 0.282 295 E C -0.963 175.786 176.600 0.247 0.000 0.992 295 E CA -0.703 55.833 56.400 0.228 0.000 0.803 295 E CB 1.409 31.213 29.700 0.172 0.000 1.090 295 E HN 0.489 nan 8.360 nan 0.000 0.396 296 I N 5.456 126.139 120.570 0.187 0.000 2.337 296 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 296 I C -0.352 175.783 176.117 0.029 0.000 1.046 296 I CA -0.471 60.861 61.300 0.054 0.000 1.324 296 I CB 0.545 38.586 38.000 0.069 0.000 1.409 296 I HN 0.431 nan 8.210 nan 0.000 0.494 297 I N 6.925 127.478 120.570 -0.027 0.000 2.321 297 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 297 I C 0.524 176.598 176.117 -0.073 0.000 0.998 297 I CA -0.205 61.089 61.300 -0.009 0.000 1.227 297 I CB 0.891 38.904 38.000 0.022 0.000 1.368 297 I HN 0.499 nan 8.210 nan 0.000 0.466 298 E N 5.960 126.134 120.200 -0.043 0.000 2.390 298 E HA 0.450 4.800 4.350 -0.000 0.000 0.261 298 E C -0.686 175.886 176.600 -0.048 0.000 1.076 298 E CA -0.260 56.114 56.400 -0.043 0.000 0.905 298 E CB 1.118 30.805 29.700 -0.021 0.000 0.984 298 E HN 0.416 nan 8.360 nan 0.000 0.427 299 L N 0.000 121.209 121.223 -0.024 0.000 2.949 299 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 299 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 299 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 299 L HN 0.000 nan 8.230 nan 0.000 0.502