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 2jd1_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 11 G C 0.000 174.880 174.900 -0.033 0.000 0.946 11 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 12 R N 0.037 120.519 120.500 -0.030 0.000 2.532 12 R HA 0.798 5.140 4.340 0.004 0.000 0.272 12 R C -0.727 175.577 176.300 0.006 0.000 1.032 12 R CA -0.807 55.266 56.100 -0.044 0.000 1.089 12 R CB 1.148 31.420 30.300 -0.046 0.000 1.098 12 R HN 0.060 nan 8.270 nan 0.000 0.526 13 L N 2.599 123.846 121.223 0.039 0.000 2.276 13 L HA 0.415 4.758 4.340 0.004 0.000 0.286 13 L C 0.288 177.249 176.870 0.151 0.000 1.061 13 L CA -0.705 54.210 54.840 0.125 0.000 0.807 13 L CB 1.221 43.416 42.059 0.227 0.000 1.177 13 L HN 0.578 nan 8.230 nan 0.000 0.429 14 R N 2.689 123.247 120.500 0.098 0.000 2.267 14 R HA 0.395 4.737 4.340 0.004 0.000 0.319 14 R C -0.929 175.412 176.300 0.069 0.000 1.067 14 R CA -0.384 55.762 56.100 0.077 0.000 0.936 14 R CB 1.009 31.338 30.300 0.048 0.000 1.006 14 R HN 0.328 nan 8.270 nan 0.000 0.452 15 V N 4.527 124.477 119.914 0.060 0.000 2.384 15 V HA 0.243 4.365 4.120 0.004 0.000 0.287 15 V C 0.015 176.110 176.094 0.001 0.000 1.020 15 V CA -0.893 61.420 62.300 0.022 0.000 0.850 15 V CB 1.852 33.671 31.823 -0.007 0.000 0.987 15 V HN 0.442 nan 8.190 nan 0.000 0.436 16 V N 5.769 125.674 119.914 -0.015 0.000 2.432 16 V HA 0.347 4.469 4.120 0.004 0.000 0.275 16 V C 0.012 176.084 176.094 -0.038 0.000 1.043 16 V CA -0.392 61.893 62.300 -0.026 0.000 0.925 16 V CB 1.728 33.529 31.823 -0.037 0.000 0.985 16 V HN 0.632 nan 8.190 nan 0.000 0.466 17 V N 7.126 127.019 119.914 -0.035 0.000 2.328 17 V HA 0.414 4.536 4.120 0.004 0.000 0.278 17 V C -0.099 175.973 176.094 -0.037 0.000 1.021 17 V CA -0.422 61.853 62.300 -0.042 0.000 0.838 17 V CB 1.229 33.028 31.823 -0.041 0.000 0.999 17 V HN 0.618 nan 8.190 nan 0.000 0.447 18 L N 4.213 125.409 121.223 -0.045 0.000 2.275 18 L HA 0.712 5.054 4.340 0.004 0.000 0.288 18 L C 1.113 177.960 176.870 -0.037 0.000 1.046 18 L CA -0.274 54.542 54.840 -0.040 0.000 0.805 18 L CB 1.250 43.280 42.059 -0.048 0.000 1.193 18 L HN 0.876 nan 8.230 nan 0.000 0.426 19 G N 1.676 110.462 108.800 -0.024 0.000 2.291 19 G HA2 -0.281 3.681 3.960 0.004 0.000 0.271 19 G HA3 -0.281 3.681 3.960 0.004 0.000 0.271 19 G C 0.818 175.702 174.900 -0.027 0.000 1.099 19 G CA 0.415 45.502 45.100 -0.022 0.000 0.919 19 G HN 0.826 nan 8.290 nan 0.000 0.496 20 S N -1.229 114.460 115.700 -0.019 0.000 2.453 20 S HA -0.074 4.398 4.470 0.004 0.000 0.231 20 S C 2.268 176.852 174.600 -0.027 0.000 1.005 20 S CA 1.995 60.182 58.200 -0.023 0.000 0.949 20 S CB -0.312 62.881 63.200 -0.012 0.000 0.774 20 S HN 1.487 nan 8.310 nan 0.000 0.510 21 T N -1.681 112.857 114.554 -0.026 0.000 3.065 21 T HA 0.390 4.742 4.350 0.004 0.000 0.252 21 T C 1.067 175.701 174.700 -0.110 0.000 1.099 21 T CA 0.201 62.272 62.100 -0.050 0.000 1.063 21 T CB -0.328 68.532 68.868 -0.013 0.000 0.948 21 T HN 0.439 nan 8.240 nan 0.000 0.506 22 G N 0.563 109.311 108.800 -0.086 0.000 2.563 22 G HA2 0.372 4.334 3.960 0.004 0.000 0.283 22 G HA3 0.372 4.334 3.960 0.004 0.000 0.283 22 G C 1.002 175.854 174.900 -0.080 0.000 1.309 22 G CA 0.003 45.044 45.100 -0.099 0.000 1.022 22 G HN 0.156 nan 8.290 nan 0.000 0.501 23 S N -1.192 114.466 115.700 -0.070 0.000 2.353 23 S HA -0.160 4.313 4.470 0.004 0.000 0.222 23 S C 2.332 176.905 174.600 -0.044 0.000 1.035 23 S CA 1.266 59.437 58.200 -0.049 0.000 1.025 23 S CB -0.334 62.843 63.200 -0.038 0.000 0.902 23 S HN 0.368 nan 8.310 nan 0.000 0.440 24 I N 1.580 122.117 120.570 -0.055 0.000 2.252 24 I HA -0.044 4.128 4.170 0.004 0.000 0.245 24 I C 2.783 178.866 176.117 -0.057 0.000 1.102 24 I CA 1.424 62.688 61.300 -0.059 0.000 1.385 24 I CB -2.144 35.810 38.000 -0.076 0.000 1.064 24 I HN 0.465 nan 8.210 nan 0.000 0.414 25 G N 1.138 109.905 108.800 -0.055 0.000 2.476 25 G HA2 -0.322 3.640 3.960 0.004 0.000 0.218 25 G HA3 -0.322 3.640 3.960 0.004 0.000 0.218 25 G C 1.726 176.600 174.900 -0.044 0.000 1.164 25 G CA 1.923 46.993 45.100 -0.051 0.000 0.768 25 G HN 0.486 nan 8.290 nan 0.000 0.560 26 T N -1.357 113.172 114.554 -0.041 0.000 2.777 26 T HA -0.072 4.280 4.350 0.004 0.000 0.266 26 T C 2.268 176.953 174.700 -0.025 0.000 1.040 26 T CA 1.566 63.647 62.100 -0.031 0.000 1.141 26 T CB -0.349 68.499 68.868 -0.033 0.000 0.868 26 T HN 0.414 nan 8.240 nan 0.000 0.444 27 Q N 1.041 120.825 119.800 -0.025 0.000 2.119 27 Q HA 0.114 4.457 4.340 0.004 0.000 0.201 27 Q C 2.815 178.797 176.000 -0.031 0.000 0.972 27 Q CA 1.301 57.094 55.803 -0.017 0.000 0.847 27 Q CB -0.463 28.270 28.738 -0.008 0.000 0.903 27 Q HN 0.730 nan 8.270 nan 0.000 0.433 28 A N 1.108 123.898 122.820 -0.051 0.000 1.877 28 A HA -0.168 4.154 4.320 0.004 0.000 0.216 28 A C 2.064 179.606 177.584 -0.071 0.000 1.186 28 A CA 1.112 53.100 52.037 -0.081 0.000 0.620 28 A CB -0.710 18.232 19.000 -0.096 0.000 0.822 28 A HN 0.292 nan 8.150 nan 0.000 0.443 29 L N -0.906 120.291 121.223 -0.044 0.000 2.083 29 L HA -0.257 4.085 4.340 0.004 0.000 0.209 29 L C 2.886 179.754 176.870 -0.004 0.000 1.083 29 L CA 1.557 56.384 54.840 -0.022 0.000 0.752 29 L CB -0.639 41.413 42.059 -0.013 0.000 0.899 29 L HN 0.533 nan 8.230 nan 0.000 0.433 30 Q N -0.652 119.146 119.800 -0.004 0.000 2.079 30 Q HA -0.156 4.186 4.340 0.004 0.000 0.200 30 Q C 2.375 178.390 176.000 0.025 0.000 0.974 30 Q CA 1.310 57.120 55.803 0.012 0.000 0.840 30 Q CB -0.103 28.641 28.738 0.009 0.000 0.898 30 Q HN 0.348 nan 8.270 nan 0.000 0.430 31 V N 1.119 121.039 119.914 0.010 0.000 2.332 31 V HA -0.280 3.842 4.120 0.004 0.000 0.248 31 V C 2.121 178.268 176.094 0.089 0.000 1.055 31 V CA 1.677 63.996 62.300 0.031 0.000 1.038 31 V CB -0.460 31.346 31.823 -0.029 0.000 0.651 31 V HN 0.337 nan 8.190 nan 0.000 0.450 32 I N 0.339 120.935 120.570 0.043 0.000 2.252 32 I HA -0.202 3.970 4.170 0.004 0.000 0.245 32 I C 2.658 178.858 176.117 0.139 0.000 1.102 32 I CA 1.413 62.793 61.300 0.133 0.000 1.385 32 I CB -0.598 37.431 38.000 0.047 0.000 1.064 32 I HN 0.267 nan 8.210 nan 0.000 0.414 33 A N 0.428 123.295 122.820 0.079 0.000 1.908 33 A HA -0.241 4.081 4.320 0.004 0.000 0.218 33 A C 1.841 179.465 177.584 0.067 0.000 1.181 33 A CA 2.104 54.179 52.037 0.063 0.000 0.627 33 A CB -0.582 18.442 19.000 0.040 0.000 0.818 33 A HN 0.347 nan 8.150 nan 0.000 0.445 34 D N 0.006 120.451 120.400 0.074 0.000 2.348 34 D HA -0.014 4.628 4.640 0.004 0.000 0.216 34 D C 0.083 176.432 176.300 0.082 0.000 0.970 34 D CA 0.601 54.642 54.000 0.069 0.000 0.889 34 D CB -0.095 40.744 40.800 0.065 0.000 0.912 34 D HN 0.415 nan 8.370 nan 0.000 0.524 35 N N 0.422 119.195 118.700 0.122 0.000 2.672 35 N HA 0.084 4.827 4.740 0.004 0.000 0.295 35 N C -2.091 173.460 175.510 0.068 0.000 1.924 35 N CA -0.792 52.320 53.050 0.103 0.000 0.851 35 N CB 1.964 40.562 38.487 0.186 0.000 1.281 35 N HN 0.063 nan 8.380 nan 0.000 0.494 36 P HA -0.143 nan 4.420 nan 0.000 0.222 36 P C 0.822 178.114 177.300 -0.013 0.000 1.147 36 P CA 1.190 64.311 63.100 0.036 0.000 0.790 36 P CB 0.291 32.008 31.700 0.028 0.000 0.780 37 D N -0.164 120.208 120.400 -0.048 0.000 2.123 37 D HA -0.187 4.455 4.640 0.004 0.000 0.196 37 D C 2.001 178.199 176.300 -0.170 0.000 0.992 37 D CA 0.951 54.899 54.000 -0.087 0.000 0.833 37 D CB -0.385 40.365 40.800 -0.084 0.000 0.954 37 D HN 0.160 nan 8.370 nan 0.000 0.455 38 R N -0.560 119.748 120.500 -0.320 0.000 2.195 38 R HA 0.209 4.551 4.340 0.004 0.000 0.197 38 R C 0.176 176.065 176.300 -0.685 0.000 0.990 38 R CA 0.197 55.905 56.100 -0.654 0.000 1.048 38 R CB 0.531 30.133 30.300 -1.164 0.000 0.997 38 R HN 0.181 nan 8.270 nan 0.000 0.502 39 F N -0.228 119.730 119.950 0.014 0.000 2.577 39 F HA 0.408 4.938 4.527 0.005 0.000 0.318 39 F C -0.188 175.619 175.800 0.012 0.000 1.065 39 F CA -0.996 57.013 58.000 0.014 0.000 0.929 39 F CB 2.131 41.140 39.000 0.016 0.000 1.237 39 F HN -0.229 nan 8.300 nan 0.000 0.468 40 E N 1.544 121.875 120.200 0.217 0.000 2.274 40 E HA 0.452 4.804 4.350 0.004 0.000 0.269 40 E C -1.827 174.829 176.600 0.093 0.000 0.891 40 E CA -0.676 55.796 56.400 0.120 0.000 0.784 40 E CB 2.149 31.896 29.700 0.078 0.000 1.225 40 E HN 0.456 nan 8.360 nan 0.000 0.412 41 V N 4.841 124.795 119.914 0.066 0.000 2.521 41 V HA 0.043 4.165 4.120 0.004 0.000 0.286 41 V C 1.131 177.246 176.094 0.036 0.000 1.034 41 V CA 0.217 62.540 62.300 0.039 0.000 1.045 41 V CB 0.804 32.643 31.823 0.026 0.000 0.974 41 V HN 0.668 nan 8.190 nan 0.000 0.480 42 V N 1.363 121.294 119.914 0.029 0.000 3.432 42 V HA 0.757 4.879 4.120 0.004 0.000 0.298 42 V C 0.583 176.693 176.094 0.026 0.000 1.464 42 V CA 0.534 62.852 62.300 0.029 0.000 1.046 42 V CB 0.228 32.069 31.823 0.029 0.000 0.887 42 V HN 0.979 nan 8.190 nan 0.000 0.441 43 G N 0.395 109.205 108.800 0.017 0.000 2.702 43 G HA2 0.650 4.612 3.960 0.004 0.000 0.296 43 G HA3 0.650 4.612 3.960 0.004 0.000 0.296 43 G C -1.878 173.026 174.900 0.006 0.000 1.463 43 G CA -0.707 44.401 45.100 0.014 0.000 0.890 43 G HN 0.225 nan 8.290 nan 0.000 0.534 44 L N 0.691 121.923 121.223 0.015 0.000 2.436 44 L HA 0.828 5.170 4.340 0.004 0.000 0.268 44 L C 0.093 176.972 176.870 0.015 0.000 0.974 44 L CA -1.000 53.847 54.840 0.011 0.000 0.826 44 L CB 2.356 44.427 42.059 0.021 0.000 1.291 44 L HN 0.820 nan 8.230 nan 0.000 0.406 45 A N 2.317 125.138 122.820 0.002 0.000 2.371 45 A HA 0.998 5.320 4.320 0.004 0.000 0.311 45 A C -0.830 176.763 177.584 0.014 0.000 1.068 45 A CA -0.242 51.800 52.037 0.008 0.000 0.744 45 A CB 1.875 20.866 19.000 -0.016 0.000 1.239 45 A HN 0.830 nan 8.150 nan 0.000 0.435 46 A N 0.655 123.493 122.820 0.030 0.000 2.569 46 A HA 0.755 5.077 4.320 0.004 0.000 0.290 46 A C 0.866 178.478 177.584 0.046 0.000 1.136 46 A CA -0.002 52.058 52.037 0.038 0.000 0.710 46 A CB 0.617 19.646 19.000 0.049 0.000 1.303 46 A HN 1.716 nan 8.150 nan 0.000 0.413 47 G N -0.843 107.990 108.800 0.055 0.000 2.408 47 G HA2 0.388 4.350 3.960 0.004 0.000 0.215 47 G HA3 0.388 4.350 3.960 0.004 0.000 0.215 47 G C 1.199 176.128 174.900 0.049 0.000 1.156 47 G CA 1.255 46.386 45.100 0.051 0.000 0.793 47 G HN 2.433 nan 8.290 nan 0.000 0.535 48 G N -1.245 107.587 108.800 0.054 0.000 2.192 48 G HA2 0.091 4.053 3.960 0.004 0.000 0.193 48 G HA3 0.091 4.053 3.960 0.004 0.000 0.193 48 G C 1.146 176.045 174.900 -0.002 0.000 0.999 48 G CA 0.871 45.990 45.100 0.032 0.000 0.659 48 G HN 1.123 nan 8.290 nan 0.000 0.503 49 A N -0.300 122.507 122.820 -0.022 0.000 2.119 49 A HA 0.432 4.754 4.320 0.004 0.000 0.216 49 A C 0.945 178.280 177.584 -0.415 0.000 1.152 49 A CA 1.544 53.463 52.037 -0.198 0.000 0.708 49 A CB -0.168 18.691 19.000 -0.236 0.000 0.805 49 A HN 0.702 nan 8.150 nan 0.000 0.460 50 H N -0.744 118.332 119.070 0.010 0.000 2.348 50 H HA 0.417 4.979 4.556 0.009 0.000 0.232 50 H C 0.683 176.014 175.328 0.005 0.000 1.419 50 H CA -0.426 55.627 56.048 0.007 0.000 1.416 50 H CB 0.356 30.122 29.762 0.007 0.000 1.510 50 H HN 0.163 nan 8.280 nan 0.000 0.507 51 L N 0.249 121.506 121.223 0.057 0.000 2.141 51 L HA -0.159 4.183 4.340 0.004 0.000 0.209 51 L C 1.765 178.659 176.870 0.039 0.000 1.094 51 L CA 1.185 56.047 54.840 0.036 0.000 0.763 51 L CB -0.144 41.916 42.059 0.001 0.000 0.908 51 L HN 0.581 nan 8.230 nan 0.000 0.437 52 D N -0.838 119.590 120.400 0.047 0.000 2.092 52 D HA -0.203 4.439 4.640 0.004 0.000 0.193 52 D C 1.855 178.180 176.300 0.042 0.000 0.994 52 D CA 2.038 56.062 54.000 0.040 0.000 0.828 52 D CB -0.932 39.894 40.800 0.043 0.000 0.963 52 D HN 0.128 nan 8.370 nan 0.000 0.450 53 T N 0.470 115.059 114.554 0.060 0.000 2.684 53 T HA -0.126 4.226 4.350 0.004 0.000 0.267 53 T C 1.872 176.591 174.700 0.032 0.000 1.036 53 T CA 1.182 63.306 62.100 0.039 0.000 1.148 53 T CB -0.512 68.375 68.868 0.031 0.000 0.863 53 T HN 0.077 nan 8.240 nan 0.000 0.436 54 L N 0.827 122.075 121.223 0.043 0.000 2.046 54 L HA 0.058 4.401 4.340 0.004 0.000 0.208 54 L C 2.168 179.053 176.870 0.025 0.000 1.077 54 L CA 1.498 56.359 54.840 0.034 0.000 0.747 54 L CB -0.625 41.458 42.059 0.041 0.000 0.896 54 L HN 0.255 nan 8.230 nan 0.000 0.432 55 L N -1.116 120.120 121.223 0.023 0.000 2.093 55 L HA -0.195 4.148 4.340 0.004 0.000 0.208 55 L C 2.738 179.617 176.870 0.015 0.000 1.085 55 L CA 1.263 56.112 54.840 0.016 0.000 0.755 55 L CB -0.545 41.521 42.059 0.011 0.000 0.904 55 L HN 0.271 nan 8.230 nan 0.000 0.435 56 R N 0.157 120.667 120.500 0.016 0.000 2.073 56 R HA -0.197 4.145 4.340 0.004 0.000 0.234 56 R C 2.401 178.710 176.300 0.014 0.000 1.134 56 R CA 1.653 57.762 56.100 0.014 0.000 0.952 56 R CB -0.091 30.217 30.300 0.014 0.000 0.850 56 R HN 0.410 nan 8.270 nan 0.000 0.433 57 Q N -0.456 119.352 119.800 0.014 0.000 2.084 57 Q HA -0.227 4.116 4.340 0.004 0.000 0.202 57 Q C 2.214 178.224 176.000 0.016 0.000 0.978 57 Q CA 1.733 57.544 55.803 0.013 0.000 0.844 57 Q CB -0.210 28.535 28.738 0.012 0.000 0.898 57 Q HN 0.295 nan 8.270 nan 0.000 0.426 58 R N 0.569 121.080 120.500 0.018 0.000 2.083 58 R HA -0.187 4.155 4.340 0.004 0.000 0.237 58 R C 2.187 178.497 176.300 0.017 0.000 1.137 58 R CA 1.481 57.593 56.100 0.019 0.000 0.951 58 R CB -0.303 30.008 30.300 0.019 0.000 0.851 58 R HN 0.252 nan 8.270 nan 0.000 0.434 59 A N 0.510 123.338 122.820 0.014 0.000 1.877 59 A HA -0.193 4.129 4.320 0.004 0.000 0.216 59 A C 2.092 179.684 177.584 0.014 0.000 1.186 59 A CA 1.501 53.545 52.037 0.013 0.000 0.620 59 A CB -0.499 18.508 19.000 0.011 0.000 0.822 59 A HN 0.522 nan 8.150 nan 0.000 0.443 60 Q N -0.839 118.970 119.800 0.014 0.000 2.119 60 Q HA -0.119 4.223 4.340 0.004 0.000 0.201 60 Q C 2.262 178.272 176.000 0.018 0.000 0.972 60 Q CA 1.972 57.784 55.803 0.015 0.000 0.847 60 Q CB -0.273 28.473 28.738 0.014 0.000 0.903 60 Q HN 0.884 nan 8.270 nan 0.000 0.433 61 T N -4.104 110.461 114.554 0.019 0.000 3.054 61 T HA 0.184 4.536 4.350 0.004 0.000 0.259 61 T C 1.465 176.178 174.700 0.022 0.000 1.092 61 T CA 0.584 62.697 62.100 0.022 0.000 1.121 61 T CB 0.297 69.178 68.868 0.022 0.000 0.912 61 T HN 0.423 nan 8.240 nan 0.000 0.489 62 G N 0.892 109.704 108.800 0.020 0.000 2.153 62 G HA2 -0.212 3.750 3.960 0.004 0.000 0.252 62 G HA3 -0.212 3.750 3.960 0.004 0.000 0.252 62 G C 0.025 174.939 174.900 0.023 0.000 0.994 62 G CA 0.068 45.180 45.100 0.020 0.000 0.698 62 G HN 0.740 nan 8.290 nan 0.000 0.521 63 V N 1.462 121.391 119.914 0.026 0.000 2.406 63 V HA 0.512 4.634 4.120 0.004 0.000 0.272 63 V C 1.526 177.640 176.094 0.034 0.000 1.043 63 V CA 0.626 62.944 62.300 0.031 0.000 0.915 63 V CB 1.239 33.081 31.823 0.032 0.000 0.988 63 V HN 0.614 nan 8.190 nan 0.000 0.466 64 T N 0.481 115.057 114.554 0.037 0.000 3.022 64 T HA 0.040 4.392 4.350 0.004 0.000 0.250 64 T C 0.933 175.669 174.700 0.059 0.000 1.060 64 T CA -0.064 62.059 62.100 0.038 0.000 1.013 64 T CB -0.276 68.607 68.868 0.026 0.000 0.982 64 T HN 0.431 nan 8.240 nan 0.000 0.508 65 N N 1.909 120.655 118.700 0.075 0.000 2.543 65 N HA 0.213 4.955 4.740 0.004 0.000 0.289 65 N C -1.069 174.523 175.510 0.137 0.000 1.223 65 N CA -0.115 53.011 53.050 0.127 0.000 1.080 65 N CB -0.852 37.703 38.487 0.114 0.000 1.450 65 N HN 0.527 nan 8.380 nan 0.000 0.501 66 I N 1.015 121.685 120.570 0.168 0.000 2.608 66 I HA 0.513 4.685 4.170 0.004 0.000 0.295 66 I C -0.336 175.909 176.117 0.213 0.000 1.049 66 I CA -1.238 60.146 61.300 0.140 0.000 1.063 66 I CB 2.076 40.129 38.000 0.089 0.000 1.248 66 I HN 0.300 nan 8.210 nan 0.000 0.424 67 A N 5.807 128.716 122.820 0.148 0.000 2.304 67 A HA 0.812 5.135 4.320 0.004 0.000 0.323 67 A C -0.911 176.736 177.584 0.106 0.000 1.195 67 A CA -0.488 51.641 52.037 0.152 0.000 0.826 67 A CB 1.217 20.254 19.000 0.061 0.000 1.184 67 A HN 0.427 nan 8.150 nan 0.000 0.496 68 V N 2.607 122.596 119.914 0.126 0.000 2.483 68 V HA 0.460 4.582 4.120 0.004 0.000 0.297 68 V C 1.118 177.273 176.094 0.102 0.000 1.027 68 V CA 0.155 62.512 62.300 0.096 0.000 0.855 68 V CB 1.074 32.947 31.823 0.082 0.000 0.995 68 V HN 1.171 nan 8.190 nan 0.000 0.424 69 A N 2.978 125.841 122.820 0.072 0.000 1.873 69 A HA -0.075 4.247 4.320 0.004 0.000 0.215 69 A C 1.196 178.824 177.584 0.073 0.000 1.186 69 A CA 1.147 53.223 52.037 0.065 0.000 0.616 69 A CB -0.174 18.852 19.000 0.043 0.000 0.823 69 A HN 0.800 nan 8.150 nan 0.000 0.442 70 D N 0.098 120.537 120.400 0.065 0.000 2.358 70 D HA 0.050 4.692 4.640 0.004 0.000 0.258 70 D C 0.519 176.867 176.300 0.080 0.000 1.223 70 D CA -0.063 53.978 54.000 0.068 0.000 0.886 70 D CB 0.632 41.466 40.800 0.057 0.000 1.120 70 D HN 0.290 nan 8.370 nan 0.000 0.482 71 E N 2.801 123.058 120.200 0.096 0.000 2.077 71 E HA -0.243 4.109 4.350 0.004 0.000 0.193 71 E C 1.498 178.133 176.600 0.058 0.000 0.989 71 E CA 1.093 57.548 56.400 0.092 0.000 0.800 71 E CB -0.246 29.519 29.700 0.107 0.000 0.746 71 E HN 0.667 nan 8.360 nan 0.000 0.452 72 H N 0.759 119.825 119.070 -0.007 0.000 2.353 72 H HA -0.027 4.531 4.556 0.003 0.000 0.300 72 H C 1.865 177.178 175.328 -0.025 0.000 1.090 72 H CA 2.032 58.069 56.048 -0.020 0.000 1.327 72 H CB -0.131 29.623 29.762 -0.014 0.000 1.383 72 H HN 0.144 nan 8.280 nan 0.000 0.508 73 A N 0.516 123.304 122.820 -0.054 0.000 1.930 73 A HA 0.017 4.340 4.320 0.004 0.000 0.217 73 A C 2.584 180.108 177.584 -0.099 0.000 1.175 73 A CA 1.477 53.456 52.037 -0.098 0.000 0.627 73 A CB -1.168 17.822 19.000 -0.017 0.000 0.815 73 A HN 0.586 nan 8.150 nan 0.000 0.443 74 A N -0.891 121.892 122.820 -0.062 0.000 1.933 74 A HA -0.165 4.157 4.320 0.004 0.000 0.218 74 A C 2.139 179.635 177.584 -0.146 0.000 1.175 74 A CA 2.049 54.044 52.037 -0.070 0.000 0.628 74 A CB -0.457 18.529 19.000 -0.024 0.000 0.814 74 A HN 0.523 nan 8.150 nan 0.000 0.444 75 Q N 0.093 119.783 119.800 -0.182 0.000 2.050 75 Q HA -0.106 4.237 4.340 0.004 0.000 0.202 75 Q C 2.152 178.045 176.000 -0.178 0.000 0.980 75 Q CA 1.896 57.585 55.803 -0.191 0.000 0.840 75 Q CB -0.323 28.318 28.738 -0.162 0.000 0.898 75 Q HN 0.641 nan 8.270 nan 0.000 0.424 76 R N -0.882 119.479 120.500 -0.231 0.000 2.120 76 R HA -0.086 4.256 4.340 0.004 0.000 0.234 76 R C 2.183 178.413 176.300 -0.116 0.000 1.123 76 R CA 1.316 57.300 56.100 -0.194 0.000 0.975 76 R CB -0.219 29.935 30.300 -0.243 0.000 0.866 76 R HN 0.179 nan 8.270 nan 0.000 0.446 77 V N -0.108 119.747 119.914 -0.099 0.000 2.323 77 V HA 0.021 4.144 4.120 0.004 0.000 0.244 77 V C 1.066 177.125 176.094 -0.060 0.000 1.041 77 V CA 1.324 63.586 62.300 -0.062 0.000 1.025 77 V CB -0.724 31.075 31.823 -0.041 0.000 0.656 77 V HN 0.686 nan 8.190 nan 0.000 0.451 78 G N 1.552 110.306 108.800 -0.077 0.000 2.767 78 G HA2 0.008 3.970 3.960 0.004 0.000 0.686 78 G HA3 0.008 3.970 3.960 0.004 0.000 0.686 78 G C 0.030 174.898 174.900 -0.053 0.000 1.213 78 G CA 0.309 45.366 45.100 -0.072 0.000 0.803 78 G HN 1.314 nan 8.290 nan 0.000 0.603 79 D N -1.149 119.218 120.400 -0.055 0.000 2.983 79 D HA -0.230 4.412 4.640 0.004 0.000 0.225 79 D C 0.399 176.689 176.300 -0.016 0.000 1.174 79 D CA 1.350 55.330 54.000 -0.034 0.000 0.831 79 D CB -1.663 39.121 40.800 -0.026 0.000 1.104 79 D HN 1.168 nan 8.370 nan 0.000 0.421 80 I N 0.978 121.543 120.570 -0.008 0.000 2.587 80 I HA 0.068 4.241 4.170 0.004 0.000 0.284 80 I C -0.459 175.699 176.117 0.067 0.000 1.134 80 I CA -1.555 59.771 61.300 0.044 0.000 1.410 80 I CB 0.141 38.181 38.000 0.068 0.000 1.392 80 I HN 0.006 nan 8.210 nan 0.000 0.545 81 P HA -0.105 nan 4.420 nan 0.000 0.221 81 P C -0.460 176.514 177.300 -0.543 0.000 1.150 81 P CA 1.309 64.238 63.100 -0.285 0.000 0.800 81 P CB 0.191 31.663 31.700 -0.379 0.000 0.787 82 Y N -0.140 120.197 120.300 0.062 0.000 2.346 82 Y HA 0.435 4.987 4.550 0.003 0.000 0.332 82 Y C 0.379 176.294 175.900 0.027 0.000 0.985 82 Y CA -1.022 57.056 58.100 -0.037 0.000 1.112 82 Y CB 1.315 39.756 38.460 -0.031 0.000 1.170 82 Y HN 0.039 nan 8.280 nan 0.000 0.447 83 H N 0.245 119.385 119.070 0.118 0.000 2.930 83 H HA 0.894 5.451 4.556 0.003 0.000 0.371 83 H C -0.036 175.330 175.328 0.062 0.000 1.169 83 H CA -1.290 54.802 56.048 0.072 0.000 1.157 83 H CB 2.003 31.786 29.762 0.035 0.000 1.789 83 H HN 0.935 nan 8.280 nan 0.000 0.547 84 G N 0.090 108.978 108.800 0.147 0.000 2.541 84 G HA2 -0.083 3.879 3.960 0.004 0.000 0.686 84 G HA3 -0.083 3.879 3.960 0.004 0.000 0.686 84 G C 0.765 175.695 174.900 0.050 0.000 1.286 84 G CA -0.062 45.089 45.100 0.085 0.000 0.894 84 G HN 1.332 nan 8.290 nan 0.000 0.575 85 S N -0.781 114.940 115.700 0.034 0.000 2.419 85 S HA -0.112 4.360 4.470 0.004 0.000 0.233 85 S C 1.525 176.130 174.600 0.008 0.000 1.016 85 S CA 2.208 60.420 58.200 0.021 0.000 0.974 85 S CB -0.162 63.047 63.200 0.015 0.000 0.786 85 S HN 1.301 nan 8.310 nan 0.000 0.492 86 D N 1.128 121.530 120.400 0.004 0.000 2.340 86 D HA 0.389 5.031 4.640 0.004 0.000 0.217 86 D C 1.595 177.887 176.300 -0.014 0.000 1.081 86 D CA 0.522 54.517 54.000 -0.009 0.000 0.842 86 D CB -0.177 40.617 40.800 -0.009 0.000 0.934 86 D HN 0.433 nan 8.370 nan 0.000 0.511 87 A N 1.433 124.257 122.820 0.007 0.000 1.865 87 A HA -0.034 4.288 4.320 0.004 0.000 0.217 87 A C 2.455 180.006 177.584 -0.055 0.000 1.191 87 A CA 2.454 54.508 52.037 0.028 0.000 0.623 87 A CB -1.085 17.965 19.000 0.084 0.000 0.826 87 A HN 0.363 nan 8.150 nan 0.000 0.444 88 A N -1.173 121.618 122.820 -0.047 0.000 1.908 88 A HA -0.120 4.202 4.320 0.004 0.000 0.218 88 A C 2.320 179.831 177.584 -0.122 0.000 1.181 88 A CA 2.476 54.464 52.037 -0.082 0.000 0.627 88 A CB -1.419 17.552 19.000 -0.048 0.000 0.818 88 A HN 0.473 nan 8.150 nan 0.000 0.445 89 T N -0.268 114.229 114.554 -0.095 0.000 2.652 89 T HA -0.173 4.179 4.350 0.004 0.000 0.267 89 T C 2.059 176.675 174.700 -0.140 0.000 1.039 89 T CA 1.699 63.741 62.100 -0.096 0.000 1.153 89 T CB -0.261 68.571 68.868 -0.061 0.000 0.863 89 T HN 0.532 nan 8.240 nan 0.000 0.428 90 R N 0.253 120.655 120.500 -0.163 0.000 2.092 90 R HA 0.044 4.386 4.340 0.004 0.000 0.231 90 R C 2.437 178.426 176.300 -0.518 0.000 1.119 90 R CA 0.771 56.742 56.100 -0.215 0.000 0.970 90 R CB -0.585 29.676 30.300 -0.065 0.000 0.864 90 R HN 0.241 nan 8.270 nan 0.000 0.440 91 L N 0.759 121.529 121.223 -0.755 0.000 2.013 91 L HA -0.198 4.145 4.340 0.004 0.000 0.212 91 L C 2.046 178.693 176.870 -0.372 0.000 1.073 91 L CA 1.646 55.998 54.840 -0.813 0.000 0.753 91 L CB -0.251 41.504 42.059 -0.507 0.000 0.890 91 L HN -0.084 nan 8.230 nan 0.000 0.432 92 V N -0.416 119.354 119.914 -0.240 0.000 2.307 92 V HA -0.262 3.860 4.120 0.004 0.000 0.245 92 V C 2.447 178.473 176.094 -0.115 0.000 1.045 92 V CA 2.000 64.215 62.300 -0.141 0.000 1.024 92 V CB -0.669 31.091 31.823 -0.106 0.000 0.651 92 V HN 0.494 nan 8.190 nan 0.000 0.449 93 E N -0.175 119.954 120.200 -0.119 0.000 2.160 93 E HA -0.268 4.084 4.350 0.004 0.000 0.195 93 E C 2.072 178.637 176.600 -0.057 0.000 0.991 93 E CA 1.383 57.738 56.400 -0.076 0.000 0.810 93 E CB -0.085 29.577 29.700 -0.064 0.000 0.742 93 E HN 0.670 nan 8.360 nan 0.000 0.466 94 Q N -0.455 119.296 119.800 -0.082 0.000 2.247 94 Q HA 0.097 4.439 4.340 0.004 0.000 0.211 94 Q C -0.336 175.664 176.000 -0.000 0.000 0.861 94 Q CA 0.172 55.966 55.803 -0.015 0.000 0.949 94 Q CB 1.356 30.130 28.738 0.060 0.000 1.115 94 Q HN -0.010 nan 8.270 nan 0.000 0.507 95 T N 1.511 116.042 114.554 -0.039 0.000 2.758 95 T HA 0.205 4.557 4.350 0.004 0.000 0.285 95 T C -0.421 174.274 174.700 -0.009 0.000 0.981 95 T CA -0.488 61.604 62.100 -0.013 0.000 0.965 95 T CB 1.394 70.243 68.868 -0.032 0.000 0.927 95 T HN 0.042 nan 8.240 nan 0.000 0.448 96 E N 1.985 122.189 120.200 0.007 0.000 2.351 96 E HA 0.450 4.802 4.350 0.004 0.000 0.266 96 E C -0.249 176.356 176.600 0.009 0.000 1.031 96 E CA -0.230 56.174 56.400 0.008 0.000 0.911 96 E CB 0.633 30.341 29.700 0.014 0.000 0.986 96 E HN 0.724 nan 8.360 nan 0.000 0.446 97 A N 3.422 126.246 122.820 0.006 0.000 2.594 97 A HA 0.329 4.651 4.320 0.004 0.000 0.291 97 A C -0.270 177.325 177.584 0.018 0.000 1.105 97 A CA -0.714 51.330 52.037 0.012 0.000 0.694 97 A CB 1.452 20.453 19.000 0.001 0.000 1.291 97 A HN 0.563 nan 8.150 nan 0.000 0.410 98 D N -0.692 119.726 120.400 0.031 0.000 2.379 98 D HA 0.214 4.856 4.640 0.004 0.000 0.218 98 D C -0.087 176.236 176.300 0.039 0.000 1.006 98 D CA 1.250 55.275 54.000 0.040 0.000 0.893 98 D CB 0.868 41.705 40.800 0.061 0.000 1.019 98 D HN 0.223 nan 8.370 nan 0.000 0.503 99 V N 1.704 121.639 119.914 0.035 0.000 2.686 99 V HA 0.287 4.409 4.120 0.004 0.000 0.306 99 V C -0.245 175.842 176.094 -0.011 0.000 1.065 99 V CA -0.854 61.456 62.300 0.017 0.000 0.894 99 V CB 2.793 34.634 31.823 0.030 0.000 1.004 99 V HN -0.253 nan 8.190 nan 0.000 0.424 100 V N 5.596 125.493 119.914 -0.028 0.000 2.328 100 V HA 0.379 4.501 4.120 0.004 0.000 0.278 100 V C -0.222 175.838 176.094 -0.057 0.000 1.021 100 V CA -0.472 61.802 62.300 -0.044 0.000 0.838 100 V CB 1.458 33.252 31.823 -0.049 0.000 0.999 100 V HN 0.686 nan 8.190 nan 0.000 0.447 101 L N 5.532 126.717 121.223 -0.063 0.000 2.295 101 L HA 0.463 4.805 4.340 0.004 0.000 0.288 101 L C 0.225 177.053 176.870 -0.070 0.000 1.079 101 L CA 0.334 55.129 54.840 -0.075 0.000 0.830 101 L CB 0.493 42.500 42.059 -0.087 0.000 1.200 101 L HN 0.603 nan 8.230 nan 0.000 0.438 102 N N 4.396 123.052 118.700 -0.074 0.000 2.521 102 N HA 0.356 5.098 4.740 0.004 0.000 0.236 102 N C -0.032 175.435 175.510 -0.073 0.000 1.067 102 N CA 0.276 53.284 53.050 -0.071 0.000 0.939 102 N CB 1.252 39.695 38.487 -0.073 0.000 1.201 102 N HN 0.692 nan 8.380 nan 0.000 0.511 103 A N 4.650 127.430 122.820 -0.065 0.000 2.630 103 A HA 0.290 4.612 4.320 0.004 0.000 0.290 103 A C 0.628 178.180 177.584 -0.052 0.000 1.267 103 A CA -0.411 51.587 52.037 -0.065 0.000 0.950 103 A CB -0.202 18.759 19.000 -0.066 0.000 1.144 103 A HN 0.589 nan 8.150 nan 0.000 0.527 104 L N -0.648 120.547 121.223 -0.047 0.000 2.476 104 L HA 0.252 4.594 4.340 0.004 0.000 0.264 104 L C 0.366 177.214 176.870 -0.037 0.000 1.224 104 L CA -0.101 54.718 54.840 -0.036 0.000 0.821 104 L CB 0.801 42.840 42.059 -0.033 0.000 1.101 104 L HN 0.098 nan 8.230 nan 0.000 0.488 105 V N 0.884 120.783 119.914 -0.025 0.000 2.581 105 V HA 0.844 4.966 4.120 0.004 0.000 0.303 105 V C 0.289 176.371 176.094 -0.020 0.000 1.041 105 V CA 0.547 62.833 62.300 -0.024 0.000 0.907 105 V CB 1.118 32.933 31.823 -0.014 0.000 0.994 105 V HN 1.000 nan 8.190 nan 0.000 0.442 106 G N 4.547 113.334 108.800 -0.022 0.000 2.796 106 G HA2 0.130 4.092 3.960 0.004 0.000 0.571 106 G HA3 0.130 4.092 3.960 0.004 0.000 0.571 106 G C 0.703 175.589 174.900 -0.024 0.000 1.370 106 G CA -0.170 44.918 45.100 -0.020 0.000 0.856 106 G HN 2.032 nan 8.290 nan 0.000 0.538 107 A N -0.488 122.319 122.820 -0.023 0.000 2.216 107 A HA 0.243 4.565 4.320 0.004 0.000 0.214 107 A C 2.498 180.066 177.584 -0.028 0.000 1.160 107 A CA 2.348 54.369 52.037 -0.026 0.000 0.725 107 A CB -0.532 18.452 19.000 -0.027 0.000 0.784 107 A HN 2.017 nan 8.150 nan 0.000 0.472 108 L N -2.617 118.591 121.223 -0.024 0.000 2.456 108 L HA 0.164 4.506 4.340 0.004 0.000 0.224 108 L C 1.754 178.607 176.870 -0.027 0.000 1.148 108 L CA 1.600 56.426 54.840 -0.023 0.000 0.825 108 L CB -1.112 40.937 42.059 -0.016 0.000 0.937 108 L HN 0.082 nan 8.230 nan 0.000 0.450 109 G N -0.202 108.579 108.800 -0.032 0.000 2.848 109 G HA2 -0.063 3.899 3.960 0.004 0.000 0.208 109 G HA3 -0.063 3.899 3.960 0.004 0.000 0.208 109 G C 1.303 176.177 174.900 -0.043 0.000 1.152 109 G CA 0.466 45.542 45.100 -0.039 0.000 0.789 109 G HN 0.386 nan 8.290 nan 0.000 0.531 110 L N 0.692 121.892 121.223 -0.039 0.000 1.994 110 L HA 0.043 4.385 4.340 0.004 0.000 0.208 110 L C 2.798 179.645 176.870 -0.039 0.000 1.071 110 L CA 1.738 56.554 54.840 -0.039 0.000 0.745 110 L CB -0.500 41.538 42.059 -0.034 0.000 0.892 110 L HN 0.131 nan 8.230 nan 0.000 0.431 111 R N -0.341 120.138 120.500 -0.035 0.000 2.081 111 R HA -0.116 4.226 4.340 0.004 0.000 0.235 111 R C -0.117 176.157 176.300 -0.044 0.000 1.131 111 R CA 1.796 57.874 56.100 -0.036 0.000 0.960 111 R CB -1.803 28.478 30.300 -0.031 0.000 0.856 111 R HN 0.424 nan 8.270 nan 0.000 0.436 112 P HA -0.082 nan 4.420 nan 0.000 0.218 112 P C 1.101 178.367 177.300 -0.058 0.000 1.149 112 P CA 1.363 64.429 63.100 -0.057 0.000 0.817 112 P CB -0.017 31.649 31.700 -0.057 0.000 0.785 113 T N -0.453 114.067 114.554 -0.056 0.000 2.708 113 T HA -0.083 4.269 4.350 0.004 0.000 0.266 113 T C 1.703 176.369 174.700 -0.056 0.000 1.037 113 T CA 1.090 63.154 62.100 -0.061 0.000 1.146 113 T CB -0.849 67.980 68.868 -0.065 0.000 0.865 113 T HN 0.035 nan 8.240 nan 0.000 0.435 114 L N 0.572 121.765 121.223 -0.049 0.000 2.056 114 L HA -0.056 4.286 4.340 0.004 0.000 0.207 114 L C 3.004 179.849 176.870 -0.042 0.000 1.078 114 L CA 1.196 56.010 54.840 -0.043 0.000 0.749 114 L CB -0.611 41.426 42.059 -0.036 0.000 0.901 114 L HN 0.225 nan 8.230 nan 0.000 0.433 115 A N 0.032 122.826 122.820 -0.045 0.000 1.908 115 A HA -0.212 4.110 4.320 0.004 0.000 0.218 115 A C 2.527 180.083 177.584 -0.048 0.000 1.181 115 A CA 1.846 53.855 52.037 -0.046 0.000 0.627 115 A CB -0.761 18.206 19.000 -0.055 0.000 0.818 115 A HN 0.414 nan 8.150 nan 0.000 0.445 116 A N -0.126 122.663 122.820 -0.052 0.000 1.865 116 A HA -0.090 4.232 4.320 0.004 0.000 0.217 116 A C 2.183 179.740 177.584 -0.044 0.000 1.191 116 A CA 1.595 53.601 52.037 -0.050 0.000 0.623 116 A CB -0.726 18.241 19.000 -0.056 0.000 0.826 116 A HN 0.485 nan 8.150 nan 0.000 0.444 117 L N -0.787 120.408 121.223 -0.047 0.000 2.042 117 L HA -0.232 4.110 4.340 0.004 0.000 0.210 117 L C 2.544 179.394 176.870 -0.035 0.000 1.076 117 L CA 1.864 56.678 54.840 -0.044 0.000 0.749 117 L CB -0.487 41.542 42.059 -0.050 0.000 0.893 117 L HN 0.358 nan 8.230 nan 0.000 0.432 118 K N -0.411 119.970 120.400 -0.033 0.000 2.209 118 K HA -0.155 4.167 4.320 0.004 0.000 0.204 118 K C 2.027 178.613 176.600 -0.023 0.000 1.048 118 K CA 1.787 58.059 56.287 -0.026 0.000 0.940 118 K CB -0.244 32.240 32.500 -0.026 0.000 0.729 118 K HN 0.502 nan 8.250 nan 0.000 0.451 119 T N -3.247 111.292 114.554 -0.025 0.000 3.085 119 T HA 0.084 4.436 4.350 0.004 0.000 0.263 119 T C 1.518 176.209 174.700 -0.015 0.000 1.127 119 T CA 0.786 62.874 62.100 -0.020 0.000 1.103 119 T CB 0.170 69.023 68.868 -0.024 0.000 0.921 119 T HN 0.352 nan 8.240 nan 0.000 0.510 120 G N 1.166 109.956 108.800 -0.017 0.000 2.199 120 G HA2 -0.086 3.877 3.960 0.004 0.000 0.254 120 G HA3 -0.086 3.877 3.960 0.004 0.000 0.254 120 G C 0.388 175.283 174.900 -0.008 0.000 0.982 120 G CA 0.005 45.098 45.100 -0.012 0.000 0.632 120 G HN 1.205 nan 8.290 nan 0.000 0.529 121 A N 0.018 122.832 122.820 -0.011 0.000 2.366 121 A HA 0.674 4.996 4.320 0.004 0.000 0.249 121 A C 0.864 178.441 177.584 -0.011 0.000 1.084 121 A CA 0.746 52.780 52.037 -0.005 0.000 0.794 121 A CB 0.175 19.171 19.000 -0.008 0.000 1.034 121 A HN 1.130 nan 8.150 nan 0.000 0.491 122 R N 0.163 120.663 120.500 0.000 0.000 2.522 122 R HA 0.241 4.584 4.340 0.004 0.000 0.284 122 R C -0.853 175.427 176.300 -0.033 0.000 1.032 122 R CA -0.166 55.928 56.100 -0.010 0.000 1.049 122 R CB 0.050 30.363 30.300 0.021 0.000 0.956 122 R HN 0.540 nan 8.270 nan 0.000 0.422 123 L N 5.034 126.221 121.223 -0.059 0.000 2.272 123 L HA 0.410 4.752 4.340 0.004 0.000 0.284 123 L C -0.715 176.099 176.870 -0.093 0.000 1.045 123 L CA -0.043 54.752 54.840 -0.075 0.000 0.842 123 L CB 1.048 43.056 42.059 -0.085 0.000 1.224 123 L HN 0.784 nan 8.230 nan 0.000 0.430 124 A N 5.500 128.271 122.820 -0.081 0.000 2.410 124 A HA 0.418 4.740 4.320 0.004 0.000 0.292 124 A C -0.537 176.985 177.584 -0.104 0.000 1.232 124 A CA -0.303 51.678 52.037 -0.092 0.000 0.893 124 A CB -0.270 18.683 19.000 -0.078 0.000 1.131 124 A HN 0.703 nan 8.150 nan 0.000 0.530 125 L N 3.596 124.744 121.223 -0.125 0.000 2.262 125 L HA 0.589 4.931 4.340 0.004 0.000 0.288 125 L C 0.919 177.712 176.870 -0.129 0.000 1.035 125 L CA 0.427 55.189 54.840 -0.130 0.000 0.820 125 L CB 1.181 43.146 42.059 -0.156 0.000 1.204 125 L HN 0.675 nan 8.230 nan 0.000 0.424 126 A N 3.846 126.599 122.820 -0.112 0.000 2.014 126 A HA 0.045 4.367 4.320 0.004 0.000 0.210 126 A C 1.213 178.732 177.584 -0.108 0.000 1.188 126 A CA 0.175 52.144 52.037 -0.112 0.000 0.731 126 A CB -0.282 18.657 19.000 -0.103 0.000 0.858 126 A HN 0.767 nan 8.150 nan 0.000 0.464 127 N N 1.446 120.088 118.700 -0.097 0.000 2.744 127 N HA -0.040 4.702 4.740 0.004 0.000 0.290 127 N C 0.974 176.428 175.510 -0.094 0.000 1.206 127 N CA 0.408 53.408 53.050 -0.084 0.000 1.119 127 N CB 0.226 38.670 38.487 -0.071 0.000 1.449 127 N HN 0.614 nan 8.380 nan 0.000 0.514 128 K N 1.317 121.656 120.400 -0.102 0.000 2.152 128 K HA -0.189 4.133 4.320 0.004 0.000 0.206 128 K C 0.835 177.387 176.600 -0.079 0.000 1.048 128 K CA 1.286 57.503 56.287 -0.117 0.000 0.933 128 K CB 0.039 32.468 32.500 -0.120 0.000 0.721 128 K HN 0.278 nan 8.250 nan 0.000 0.447 129 E N 1.677 121.846 120.200 -0.051 0.000 2.118 129 E HA -0.191 4.161 4.350 0.004 0.000 0.195 129 E C 2.233 178.813 176.600 -0.034 0.000 0.992 129 E CA 1.964 58.348 56.400 -0.027 0.000 0.804 129 E CB -0.161 29.527 29.700 -0.021 0.000 0.741 129 E HN 0.615 nan 8.360 nan 0.000 0.458 130 S N 0.466 116.136 115.700 -0.050 0.000 2.382 130 S HA -0.153 4.319 4.470 0.004 0.000 0.228 130 S C 1.980 176.547 174.600 -0.056 0.000 1.027 130 S CA 0.983 59.152 58.200 -0.051 0.000 0.991 130 S CB -0.349 62.816 63.200 -0.058 0.000 0.823 130 S HN 0.223 nan 8.310 nan 0.000 0.469 131 L N 1.777 122.955 121.223 -0.075 0.000 2.072 131 L HA 0.151 4.493 4.340 0.004 0.000 0.205 131 L C 2.470 179.308 176.870 -0.053 0.000 1.079 131 L CA 1.275 56.066 54.840 -0.083 0.000 0.752 131 L CB -0.765 41.216 42.059 -0.131 0.000 0.906 131 L HN 0.214 nan 8.230 nan 0.000 0.436 132 V N 0.281 120.171 119.914 -0.040 0.000 2.287 132 V HA -0.316 3.807 4.120 0.004 0.000 0.248 132 V C 2.774 178.875 176.094 0.012 0.000 1.053 132 V CA 1.820 64.120 62.300 -0.001 0.000 1.027 132 V CB -1.389 30.449 31.823 0.024 0.000 0.646 132 V HN 0.607 nan 8.190 nan 0.000 0.447 133 A N 0.237 123.057 122.820 0.001 0.000 1.872 133 A HA 0.019 4.341 4.320 0.004 0.000 0.214 133 A C 2.411 179.990 177.584 -0.009 0.000 1.187 133 A CA 1.644 53.679 52.037 -0.003 0.000 0.614 133 A CB -1.182 17.809 19.000 -0.015 0.000 0.826 133 A HN 0.515 nan 8.150 nan 0.000 0.442 134 G N -1.102 107.686 108.800 -0.019 0.000 2.422 134 G HA2 0.261 4.223 3.960 0.004 0.000 0.218 134 G HA3 0.261 4.223 3.960 0.004 0.000 0.218 134 G C 1.410 176.303 174.900 -0.011 0.000 1.140 134 G CA 1.054 46.142 45.100 -0.020 0.000 0.775 134 G HN 1.487 nan 8.290 nan 0.000 0.545 135 G N 0.237 109.032 108.800 -0.008 0.000 2.651 135 G HA2 -0.365 3.597 3.960 0.004 0.000 0.315 135 G HA3 -0.365 3.597 3.960 0.004 0.000 0.315 135 G C 1.781 176.677 174.900 -0.005 0.000 1.258 135 G CA 2.340 47.444 45.100 0.007 0.000 1.002 135 G HN 1.452 nan 8.290 nan 0.000 0.551 136 S N -0.122 115.584 115.700 0.009 0.000 2.442 136 S HA 0.022 4.494 4.470 0.004 0.000 0.236 136 S C 2.432 177.026 174.600 -0.010 0.000 1.007 136 S CA 2.058 60.258 58.200 -0.001 0.000 0.965 136 S CB -0.120 63.088 63.200 0.013 0.000 0.773 136 S HN 1.417 nan 8.310 nan 0.000 0.504 137 L N 1.651 122.870 121.223 -0.007 0.000 2.017 137 L HA 0.039 4.382 4.340 0.004 0.000 0.208 137 L C 2.471 179.326 176.870 -0.025 0.000 1.073 137 L CA 1.470 56.303 54.840 -0.012 0.000 0.745 137 L CB -0.610 41.446 42.059 -0.006 0.000 0.894 137 L HN 0.210 nan 8.230 nan 0.000 0.432 138 V N -0.244 119.650 119.914 -0.033 0.000 2.343 138 V HA -0.290 3.832 4.120 0.004 0.000 0.247 138 V C 2.535 178.594 176.094 -0.057 0.000 1.051 138 V CA 1.959 64.229 62.300 -0.049 0.000 1.036 138 V CB -0.530 31.257 31.823 -0.059 0.000 0.654 138 V HN 0.435 nan 8.190 nan 0.000 0.451 139 L N -0.644 120.544 121.223 -0.058 0.000 2.083 139 L HA -0.176 4.166 4.340 0.004 0.000 0.209 139 L C 2.768 179.606 176.870 -0.053 0.000 1.083 139 L CA 1.603 56.403 54.840 -0.068 0.000 0.752 139 L CB -0.607 41.409 42.059 -0.071 0.000 0.899 139 L HN 0.243 nan 8.230 nan 0.000 0.433 140 R N -0.134 120.343 120.500 -0.039 0.000 2.120 140 R HA -0.098 4.245 4.340 0.004 0.000 0.234 140 R C 2.235 178.517 176.300 -0.031 0.000 1.123 140 R CA 1.178 57.260 56.100 -0.030 0.000 0.975 140 R CB -0.288 30.000 30.300 -0.020 0.000 0.866 140 R HN 0.330 nan 8.270 nan 0.000 0.446 141 A N 0.719 123.518 122.820 -0.035 0.000 2.167 141 A HA 0.208 4.530 4.320 0.004 0.000 0.214 141 A C 0.902 178.462 177.584 -0.040 0.000 1.151 141 A CA 0.654 52.670 52.037 -0.034 0.000 0.735 141 A CB 0.103 19.082 19.000 -0.036 0.000 0.802 141 A HN 0.280 nan 8.150 nan 0.000 0.467 142 A N 0.505 123.296 122.820 -0.048 0.000 2.312 142 A HA 0.596 4.918 4.320 0.004 0.000 0.326 142 A C 0.466 178.023 177.584 -0.047 0.000 1.172 142 A CA -0.777 51.228 52.037 -0.054 0.000 0.821 142 A CB 0.366 19.321 19.000 -0.076 0.000 1.166 142 A HN 0.640 nan 8.150 nan 0.000 0.493 143 R N 1.687 122.163 120.500 -0.040 0.000 2.649 143 R HA 0.495 4.837 4.340 0.004 0.000 0.270 143 R C -2.654 173.623 176.300 -0.039 0.000 1.105 143 R CA -1.239 54.843 56.100 -0.031 0.000 1.193 143 R CB -0.422 29.867 30.300 -0.018 0.000 1.120 143 R HN 0.330 nan 8.270 nan 0.000 0.561 144 P HA 0.056 nan 4.420 nan 0.000 0.263 144 P C 0.241 177.525 177.300 -0.027 0.000 1.195 144 P CA 1.179 64.262 63.100 -0.029 0.000 0.762 144 P CB 0.780 32.476 31.700 -0.007 0.000 0.799 145 G N 2.598 111.364 108.800 -0.057 0.000 2.168 145 G HA2 -0.365 3.598 3.960 0.004 0.000 0.263 145 G HA3 -0.365 3.598 3.960 0.004 0.000 0.263 145 G C 1.055 175.899 174.900 -0.093 0.000 0.977 145 G CA 0.497 45.552 45.100 -0.076 0.000 0.659 145 G HN 0.572 nan 8.290 nan 0.000 0.533 146 Q N -0.563 119.187 119.800 -0.083 0.000 2.172 146 Q HA 0.159 4.501 4.340 0.004 0.000 0.200 146 Q C 1.252 177.184 176.000 -0.113 0.000 0.964 146 Q CA 0.615 56.373 55.803 -0.075 0.000 0.855 146 Q CB -0.013 28.690 28.738 -0.059 0.000 0.918 146 Q HN 0.698 nan 8.270 nan 0.000 0.444 147 I N 1.835 122.311 120.570 -0.156 0.000 2.301 147 I HA 0.143 4.315 4.170 0.004 0.000 0.292 147 I C -0.892 175.067 176.117 -0.263 0.000 1.046 147 I CA -0.550 60.635 61.300 -0.192 0.000 1.282 147 I CB 1.371 39.248 38.000 -0.205 0.000 1.409 147 I HN -0.166 nan 8.210 nan 0.000 0.484 148 V N 8.931 128.693 119.914 -0.252 0.000 2.409 148 V HA 0.345 4.467 4.120 0.004 0.000 0.291 148 V C -2.077 173.865 176.094 -0.253 0.000 1.020 148 V CA -1.765 60.334 62.300 -0.335 0.000 0.848 148 V CB 1.670 33.296 31.823 -0.329 0.000 0.990 148 V HN 0.575 nan 8.190 nan 0.000 0.430 149 P HA 0.192 nan 4.420 nan 0.000 0.276 149 P C 0.457 177.698 177.300 -0.098 0.000 1.230 149 P CA 0.088 63.089 63.100 -0.165 0.000 0.776 149 P CB 2.070 33.715 31.700 -0.092 0.000 0.888 150 V N 1.230 121.087 119.914 -0.094 0.000 2.992 150 V HA -0.011 4.112 4.120 0.004 0.000 0.250 150 V C 1.098 177.145 176.094 -0.078 0.000 1.090 150 V CA 0.795 63.048 62.300 -0.078 0.000 1.101 150 V CB -0.865 30.901 31.823 -0.095 0.000 0.743 150 V HN 0.554 nan 8.190 nan 0.000 0.468 151 D N 0.848 121.211 120.400 -0.062 0.000 2.533 151 D HA -0.049 4.593 4.640 0.004 0.000 0.236 151 D C 1.602 177.880 176.300 -0.036 0.000 1.137 151 D CA 0.910 54.885 54.000 -0.041 0.000 0.867 151 D CB 1.554 42.426 40.800 0.121 0.000 1.170 151 D HN 0.351 nan 8.370 nan 0.000 0.474 152 S N 3.290 118.886 115.700 -0.173 0.000 2.370 152 S HA -0.253 4.219 4.470 0.004 0.000 0.226 152 S C 1.527 176.102 174.600 -0.042 0.000 1.033 152 S CA 1.194 59.290 58.200 -0.173 0.000 1.011 152 S CB -0.167 62.841 63.200 -0.320 0.000 0.852 152 S HN 0.505 nan 8.310 nan 0.000 0.457 153 E N 1.174 121.346 120.200 -0.045 0.000 2.051 153 E HA -0.073 4.279 4.350 0.004 0.000 0.192 153 E C 2.033 178.536 176.600 -0.162 0.000 0.991 153 E CA 1.721 58.052 56.400 -0.114 0.000 0.799 153 E CB -0.476 29.064 29.700 -0.267 0.000 0.748 153 E HN 0.807 nan 8.360 nan 0.000 0.449 154 H N -0.946 118.169 119.070 0.075 0.000 2.428 154 H HA 0.046 4.603 4.556 0.002 0.000 0.296 154 H C 2.110 177.539 175.328 0.168 0.000 1.062 154 H CA 1.291 57.445 56.048 0.177 0.000 1.350 154 H CB -0.142 29.684 29.762 0.108 0.000 1.403 154 H HN 0.035 nan 8.280 nan 0.000 0.533 155 S N 0.181 115.978 115.700 0.162 0.000 2.368 155 S HA -0.197 4.276 4.470 0.004 0.000 0.225 155 S C 2.410 177.103 174.600 0.155 0.000 1.030 155 S CA 0.988 59.270 58.200 0.136 0.000 0.999 155 S CB -0.432 62.822 63.200 0.091 0.000 0.844 155 S HN 0.517 nan 8.310 nan 0.000 0.459 156 A N 1.599 124.483 122.820 0.106 0.000 1.877 156 A HA 0.027 4.349 4.320 0.004 0.000 0.216 156 A C 2.243 179.856 177.584 0.049 0.000 1.186 156 A CA 1.547 53.645 52.037 0.101 0.000 0.620 156 A CB -0.934 18.133 19.000 0.112 0.000 0.822 156 A HN 0.575 nan 8.150 nan 0.000 0.443 157 L N -0.751 120.456 121.223 -0.028 0.000 2.012 157 L HA -0.261 4.081 4.340 0.004 0.000 0.210 157 L C 3.125 179.871 176.870 -0.207 0.000 1.073 157 L CA 1.293 56.008 54.840 -0.208 0.000 0.748 157 L CB -0.647 41.167 42.059 -0.408 0.000 0.891 157 L HN 0.463 nan 8.230 nan 0.000 0.431 158 A N -0.507 122.314 122.820 0.002 0.000 1.933 158 A HA -0.251 4.071 4.320 0.004 0.000 0.218 158 A C 2.208 179.973 177.584 0.302 0.000 1.175 158 A CA 1.650 53.789 52.037 0.170 0.000 0.628 158 A CB -0.437 18.671 19.000 0.179 0.000 0.814 158 A HN 0.522 nan 8.150 nan 0.000 0.444 159 Q N -1.112 118.862 119.800 0.290 0.000 2.046 159 Q HA -0.152 4.190 4.340 0.004 0.000 0.200 159 Q C 2.264 178.357 176.000 0.156 0.000 0.975 159 Q CA 1.627 57.576 55.803 0.244 0.000 0.836 159 Q CB -0.416 28.441 28.738 0.197 0.000 0.896 159 Q HN 0.735 nan 8.270 nan 0.000 0.428 160 C N 0.640 120.005 119.300 0.108 0.000 2.432 160 C HA -0.044 4.419 4.460 0.004 0.000 0.280 160 C C 2.427 177.523 174.990 0.177 0.000 1.353 160 C CA 0.323 59.409 59.018 0.112 0.000 1.766 160 C CB -0.892 26.874 27.740 0.043 0.000 1.924 160 C HN 0.468 nan 8.230 nan 0.000 0.509 161 L N 0.386 121.665 121.223 0.094 0.000 2.265 161 L HA -0.128 4.214 4.340 0.004 0.000 0.215 161 L C 2.634 179.634 176.870 0.217 0.000 1.117 161 L CA 1.162 56.083 54.840 0.134 0.000 0.782 161 L CB -0.498 41.557 42.059 -0.006 0.000 0.914 161 L HN 0.359 nan 8.230 nan 0.000 0.441 162 R N -0.228 120.378 120.500 0.175 0.000 2.237 162 R HA -0.079 4.263 4.340 0.004 0.000 0.219 162 R C 2.202 178.539 176.300 0.062 0.000 1.080 162 R CA 0.837 57.008 56.100 0.118 0.000 0.995 162 R CB -0.462 29.891 30.300 0.088 0.000 0.875 162 R HN 0.376 nan 8.270 nan 0.000 0.462 163 G N -0.005 108.853 108.800 0.097 0.000 2.625 163 G HA2 0.049 4.011 3.960 0.004 0.000 0.214 163 G HA3 0.049 4.011 3.960 0.004 0.000 0.214 163 G C 0.436 174.995 174.900 -0.568 0.000 1.132 163 G CA 0.714 45.721 45.100 -0.156 0.000 0.782 163 G HN 0.458 nan 8.290 nan 0.000 0.538 164 G N -1.443 107.189 108.800 -0.280 0.000 2.548 164 G HA2 0.501 4.463 3.960 0.004 0.000 0.301 164 G HA3 0.501 4.463 3.960 0.004 0.000 0.301 164 G C -0.489 174.446 174.900 0.059 0.000 1.349 164 G CA 0.097 45.050 45.100 -0.245 0.000 0.792 164 G HN 0.498 nan 8.290 nan 0.000 0.481 165 T N -0.988 113.600 114.554 0.057 0.000 2.882 165 T HA 0.503 4.855 4.350 0.004 0.000 0.287 165 T C -1.534 173.242 174.700 0.127 0.000 1.014 165 T CA -1.092 61.056 62.100 0.080 0.000 1.049 165 T CB 1.848 70.743 68.868 0.045 0.000 1.001 165 T HN 0.127 nan 8.240 nan 0.000 0.525 166 P HA -0.152 nan 4.420 nan 0.000 0.216 166 P C 1.367 178.709 177.300 0.071 0.000 1.153 166 P CA 1.287 64.436 63.100 0.080 0.000 0.858 166 P CB -0.073 31.663 31.700 0.059 0.000 0.789 167 D N -0.374 120.065 120.400 0.064 0.000 2.371 167 D HA -0.158 4.484 4.640 0.004 0.000 0.221 167 D C 1.146 177.491 176.300 0.074 0.000 0.986 167 D CA 0.831 54.863 54.000 0.054 0.000 0.899 167 D CB -0.432 40.393 40.800 0.040 0.000 0.902 167 D HN 0.292 nan 8.370 nan 0.000 0.530 168 E N 0.116 120.392 120.200 0.126 0.000 2.474 168 E HA 0.089 4.441 4.350 0.004 0.000 0.194 168 E C 0.117 176.874 176.600 0.262 0.000 1.041 168 E CA -0.178 56.341 56.400 0.199 0.000 0.874 168 E CB 1.097 30.927 29.700 0.216 0.000 0.914 168 E HN 0.097 nan 8.360 nan 0.000 0.498 169 V N 1.561 121.545 119.914 0.116 0.000 2.470 169 V HA 0.071 4.194 4.120 0.004 0.000 0.276 169 V C 0.909 176.948 176.094 -0.092 0.000 1.040 169 V CA 0.330 62.564 62.300 -0.111 0.000 1.008 169 V CB 1.052 32.782 31.823 -0.154 0.000 0.990 169 V HN 0.196 nan 8.190 nan 0.000 0.477 170 A N 5.449 128.184 122.820 -0.142 0.000 1.881 170 A HA 0.303 4.625 4.320 0.004 0.000 0.210 170 A C 0.884 178.402 177.584 -0.109 0.000 1.239 170 A CA 0.612 52.597 52.037 -0.087 0.000 0.629 170 A CB 0.253 19.219 19.000 -0.056 0.000 0.906 170 A HN 0.688 nan 8.150 nan 0.000 0.460 171 K N -0.487 119.814 120.400 -0.166 0.000 2.502 171 K HA 0.648 4.970 4.320 0.004 0.000 0.257 171 K C -1.687 174.794 176.600 -0.198 0.000 0.938 171 K CA -0.432 55.770 56.287 -0.142 0.000 0.819 171 K CB 2.227 34.666 32.500 -0.103 0.000 1.333 171 K HN 0.194 nan 8.250 nan 0.000 0.434 172 L N 2.417 123.546 121.223 -0.156 0.000 2.296 172 L HA 0.503 4.845 4.340 0.004 0.000 0.286 172 L C -0.656 176.144 176.870 -0.116 0.000 1.023 172 L CA -1.207 53.529 54.840 -0.173 0.000 0.812 172 L CB 1.612 43.571 42.059 -0.168 0.000 1.223 172 L HN 0.266 nan 8.230 nan 0.000 0.421 173 V N 5.132 124.974 119.914 -0.120 0.000 2.304 173 V HA 0.332 4.454 4.120 0.004 0.000 0.278 173 V C 0.143 176.202 176.094 -0.059 0.000 1.018 173 V CA -0.425 61.829 62.300 -0.078 0.000 0.814 173 V CB 1.443 33.213 31.823 -0.088 0.000 1.021 173 V HN 0.535 nan 8.190 nan 0.000 0.440 174 L N 4.936 126.138 121.223 -0.035 0.000 2.331 174 L HA 0.457 4.799 4.340 0.004 0.000 0.278 174 L C 0.992 177.880 176.870 0.031 0.000 1.106 174 L CA 0.061 54.887 54.840 -0.023 0.000 0.824 174 L CB 1.382 43.427 42.059 -0.024 0.000 1.142 174 L HN 0.759 nan 8.230 nan 0.000 0.443 175 T N 0.452 115.042 114.554 0.060 0.000 2.913 175 T HA 0.759 5.111 4.350 0.004 0.000 0.287 175 T C -0.173 174.597 174.700 0.117 0.000 1.008 175 T CA -0.803 61.373 62.100 0.126 0.000 1.067 175 T CB 1.816 70.789 68.868 0.176 0.000 0.996 175 T HN 0.675 nan 8.240 nan 0.000 0.513 176 A N 1.321 124.212 122.820 0.118 0.000 2.393 176 A HA 0.645 4.967 4.320 0.004 0.000 0.306 176 A C 1.180 178.803 177.584 0.064 0.000 1.050 176 A CA -0.335 51.754 52.037 0.087 0.000 0.724 176 A CB 1.462 20.487 19.000 0.042 0.000 1.248 176 A HN 1.147 nan 8.150 nan 0.000 0.424 177 S N 1.571 117.316 115.700 0.075 0.000 2.399 177 S HA 0.216 4.688 4.470 0.004 0.000 0.231 177 S C 1.577 176.106 174.600 -0.118 0.000 1.022 177 S CA 1.806 59.997 58.200 -0.015 0.000 0.983 177 S CB -0.257 62.969 63.200 0.043 0.000 0.803 177 S HN 2.733 nan 8.310 nan 0.000 0.480 178 G N 0.481 109.206 108.800 -0.126 0.000 2.234 178 G HA2 0.209 4.171 3.960 0.004 0.000 0.235 178 G HA3 0.209 4.171 3.960 0.004 0.000 0.235 178 G C 1.268 175.978 174.900 -0.318 0.000 0.997 178 G CA 0.314 45.279 45.100 -0.225 0.000 0.623 178 G HN 1.954 nan 8.290 nan 0.000 0.514 179 G N 0.036 108.651 108.800 -0.308 0.000 2.855 179 G HA2 0.160 4.122 3.960 0.004 0.000 0.352 179 G HA3 0.160 4.122 3.960 0.004 0.000 0.352 179 G C -0.710 173.861 174.900 -0.549 0.000 1.415 179 G CA 0.355 45.209 45.100 -0.410 0.000 0.871 179 G HN 0.886 nan 8.290 nan 0.000 0.543 180 P HA -0.005 nan 4.420 nan 0.000 0.225 180 P C 1.036 177.714 177.300 -1.036 0.000 1.148 180 P CA 1.493 64.045 63.100 -0.914 0.000 0.779 180 P CB -0.111 30.874 31.700 -1.193 0.000 0.780 181 F N -0.823 118.743 119.950 -0.639 0.000 2.647 181 F HA 0.286 4.820 4.527 0.012 0.000 0.300 181 F C 1.330 176.909 175.800 -0.368 0.000 1.106 181 F CA -1.056 56.303 58.000 -1.069 0.000 1.313 181 F CB -0.087 38.379 39.000 -0.890 0.000 1.007 181 F HN -0.282 nan 8.300 nan 0.000 0.536 182 R N 1.345 121.760 120.500 -0.141 0.000 2.504 182 R HA 0.221 4.564 4.340 0.004 0.000 0.291 182 R C 1.284 177.739 176.300 0.259 0.000 0.974 182 R CA 1.329 57.432 56.100 0.005 0.000 1.077 182 R CB -0.001 30.250 30.300 -0.082 0.000 0.926 182 R HN 0.562 nan 8.270 nan 0.000 0.407 183 G N 3.370 112.374 108.800 0.341 0.000 2.199 183 G HA2 -0.248 3.714 3.960 0.004 0.000 0.254 183 G HA3 -0.248 3.714 3.960 0.004 0.000 0.254 183 G C -0.507 174.677 174.900 0.474 0.000 0.982 183 G CA 0.090 45.405 45.100 0.359 0.000 0.632 183 G HN 0.585 nan 8.290 nan 0.000 0.529 184 W N 2.342 123.789 121.300 0.245 0.000 2.184 184 W HA 0.620 5.283 4.660 0.006 0.000 0.338 184 W C 1.248 177.835 176.519 0.112 0.000 1.257 184 W CA -0.240 57.211 57.345 0.178 0.000 1.243 184 W CB 0.608 30.193 29.460 0.208 0.000 1.122 184 W HN 0.519 nan 8.180 nan 0.000 0.585 185 S N 0.763 116.603 115.700 0.232 0.000 2.645 185 S HA 0.584 5.056 4.470 0.004 0.000 0.266 185 S C 1.022 175.659 174.600 0.062 0.000 1.258 185 S CA -0.227 58.036 58.200 0.106 0.000 0.990 185 S CB 1.245 64.472 63.200 0.045 0.000 0.967 185 S HN 0.614 nan 8.310 nan 0.000 0.556 186 A N 1.199 124.014 122.820 -0.008 0.000 1.908 186 A HA 0.115 4.437 4.320 0.004 0.000 0.218 186 A C 2.392 179.959 177.584 -0.028 0.000 1.181 186 A CA 1.890 53.897 52.037 -0.051 0.000 0.627 186 A CB -1.746 17.215 19.000 -0.064 0.000 0.818 186 A HN 1.344 nan 8.150 nan 0.000 0.445 187 A N -0.040 122.772 122.820 -0.013 0.000 1.908 187 A HA -0.212 4.110 4.320 0.004 0.000 0.218 187 A C 1.779 179.370 177.584 0.011 0.000 1.181 187 A CA 1.877 53.906 52.037 -0.014 0.000 0.627 187 A CB -0.606 18.395 19.000 0.002 0.000 0.818 187 A HN 0.486 nan 8.150 nan 0.000 0.445 188 D N 0.034 120.458 120.400 0.041 0.000 2.149 188 D HA -0.114 4.528 4.640 0.004 0.000 0.198 188 D C 1.859 178.275 176.300 0.194 0.000 0.990 188 D CA 1.049 55.090 54.000 0.068 0.000 0.839 188 D CB -0.242 40.562 40.800 0.006 0.000 0.948 188 D HN 0.478 nan 8.370 nan 0.000 0.460 189 L N 0.772 122.080 121.223 0.141 0.000 2.313 189 L HA -0.056 4.286 4.340 0.004 0.000 0.214 189 L C 2.201 179.072 176.870 0.002 0.000 1.119 189 L CA 0.570 55.435 54.840 0.043 0.000 0.809 189 L CB -0.292 41.795 42.059 0.046 0.000 0.933 189 L HN -0.023 nan 8.230 nan 0.000 0.449 190 E N -0.263 119.889 120.200 -0.080 0.000 2.171 190 E HA -0.224 4.128 4.350 0.004 0.000 0.197 190 E C 1.292 177.739 176.600 -0.254 0.000 0.997 190 E CA 1.053 57.320 56.400 -0.222 0.000 0.810 190 E CB -0.047 29.398 29.700 -0.424 0.000 0.738 190 E HN 0.613 nan 8.360 nan 0.000 0.467 191 H N -0.589 118.517 119.070 0.060 0.000 2.549 191 H HA 0.173 4.731 4.556 0.003 0.000 0.279 191 H C 0.022 175.394 175.328 0.073 0.000 1.018 191 H CA -0.108 55.978 56.048 0.063 0.000 1.175 191 H CB 0.230 30.016 29.762 0.040 0.000 1.485 191 H HN -0.082 nan 8.280 nan 0.000 0.543 192 V N 3.536 123.504 119.914 0.090 0.000 2.599 192 V HA -0.033 4.090 4.120 0.004 0.000 0.300 192 V C 1.070 177.280 176.094 0.193 0.000 1.034 192 V CA 0.312 62.589 62.300 -0.038 0.000 1.115 192 V CB 0.876 32.272 31.823 -0.712 0.000 0.934 192 V HN 0.445 nan 8.190 nan 0.000 0.485 193 T N 3.635 118.300 114.554 0.184 0.000 2.928 193 T HA 0.375 4.727 4.350 0.004 0.000 0.284 193 T C -1.772 173.061 174.700 0.223 0.000 1.008 193 T CA -2.046 60.150 62.100 0.159 0.000 1.057 193 T CB 1.633 70.559 68.868 0.097 0.000 1.018 193 T HN 0.395 nan 8.240 nan 0.000 0.493 194 P HA -0.137 nan 4.420 nan 0.000 0.217 194 P C 1.561 178.941 177.300 0.133 0.000 1.151 194 P CA 1.054 64.153 63.100 -0.001 0.000 0.849 194 P CB 0.108 31.666 31.700 -0.237 0.000 0.787 195 E N -0.349 119.904 120.200 0.088 0.000 2.077 195 E HA -0.201 4.151 4.350 0.004 0.000 0.193 195 E C 2.100 178.775 176.600 0.125 0.000 0.989 195 E CA 1.162 57.617 56.400 0.092 0.000 0.800 195 E CB -0.439 29.300 29.700 0.066 0.000 0.746 195 E HN 0.464 nan 8.360 nan 0.000 0.452 196 Q N 0.029 119.933 119.800 0.173 0.000 2.124 196 Q HA -0.074 4.268 4.340 0.004 0.000 0.202 196 Q C 1.989 178.125 176.000 0.226 0.000 0.977 196 Q CA 1.372 57.310 55.803 0.225 0.000 0.850 196 Q CB -0.072 28.856 28.738 0.316 0.000 0.901 196 Q HN 0.187 nan 8.270 nan 0.000 0.429 197 A N 0.214 123.220 122.820 0.310 0.000 2.167 197 A HA 0.058 4.380 4.320 0.004 0.000 0.214 197 A C 1.958 179.634 177.584 0.152 0.000 1.151 197 A CA 0.953 53.147 52.037 0.262 0.000 0.735 197 A CB -0.302 18.960 19.000 0.437 0.000 0.802 197 A HN 0.424 nan 8.150 nan 0.000 0.467 198 G N -0.802 108.082 108.800 0.140 0.000 2.920 198 G HA2 0.390 4.352 3.960 0.004 0.000 0.208 198 G HA3 0.390 4.352 3.960 0.004 0.000 0.208 198 G C 0.544 175.480 174.900 0.060 0.000 1.159 198 G CA 0.642 45.804 45.100 0.103 0.000 0.784 198 G HN 0.729 nan 8.290 nan 0.000 0.535 199 A N -0.051 122.776 122.820 0.012 0.000 2.312 199 A HA 0.693 5.015 4.320 0.004 0.000 0.328 199 A C -0.867 176.708 177.584 -0.015 0.000 1.158 199 A CA -0.626 51.402 52.037 -0.014 0.000 0.821 199 A CB 0.952 19.916 19.000 -0.060 0.000 1.170 199 A HN 0.320 nan 8.150 nan 0.000 0.490 200 H N 2.599 121.622 119.070 -0.078 0.000 2.771 200 H HA 0.351 4.902 4.556 -0.007 0.000 0.361 200 H C -1.958 173.324 175.328 -0.077 0.000 1.108 200 H CA -1.385 54.617 56.048 -0.077 0.000 1.201 200 H CB 2.523 32.289 29.762 0.007 0.000 1.681 200 H HN 0.529 nan 8.280 nan 0.000 0.534 201 P HA -0.053 nan 4.420 nan 0.000 0.223 201 P C 0.854 178.056 177.300 -0.164 0.000 1.151 201 P CA 1.122 64.059 63.100 -0.272 0.000 0.787 201 P CB 0.572 32.066 31.700 -0.343 0.000 0.788 202 T N -7.656 106.874 114.554 -0.040 0.000 3.051 202 T HA 0.140 4.492 4.350 0.004 0.000 0.254 202 T C -0.027 174.569 174.700 -0.173 0.000 0.916 202 T CA -0.385 61.633 62.100 -0.136 0.000 0.894 202 T CB -0.297 68.403 68.868 -0.279 0.000 1.251 202 T HN -0.034 nan 8.240 nan 0.000 0.517 203 W N 1.835 123.324 121.300 0.316 0.000 2.632 203 W HA 0.736 5.393 4.660 -0.005 0.000 0.328 203 W C -0.237 176.257 176.519 -0.042 0.000 1.044 203 W CA -0.938 56.414 57.345 0.012 0.000 1.225 203 W CB 2.101 31.436 29.460 -0.210 0.000 1.396 203 W HN -0.026 nan 8.180 nan 0.000 0.499 204 S N 4.710 120.549 115.700 0.232 0.000 2.420 204 S HA 0.717 5.189 4.470 0.004 0.000 0.313 204 S C -0.456 174.191 174.600 0.079 0.000 1.079 204 S CA -0.305 57.965 58.200 0.118 0.000 1.104 204 S CB -0.313 62.935 63.200 0.081 0.000 0.969 204 S HN 0.478 nan 8.310 nan 0.000 0.471 205 M N 2.883 122.498 119.600 0.025 0.000 2.704 205 M HA 0.529 5.011 4.480 0.004 0.000 0.284 205 M C 0.808 177.100 176.300 -0.013 0.000 1.275 205 M CA -0.999 54.288 55.300 -0.022 0.000 0.811 205 M CB 1.311 33.859 32.600 -0.086 0.000 1.741 205 M HN 0.621 nan 8.290 nan 0.000 0.458 206 G N 0.514 109.299 108.800 -0.024 0.000 2.712 206 G HA2 0.267 4.229 3.960 0.004 0.000 0.258 206 G HA3 0.267 4.229 3.960 0.004 0.000 0.258 206 G C -1.882 173.025 174.900 0.012 0.000 1.241 206 G CA -0.860 44.236 45.100 -0.007 0.000 0.923 206 G HN 0.517 nan 8.290 nan 0.000 0.548 207 P HA -0.079 nan 4.420 nan 0.000 0.222 207 P C 1.743 179.081 177.300 0.064 0.000 1.153 207 P CA 0.922 64.055 63.100 0.054 0.000 0.798 207 P CB 0.144 31.880 31.700 0.060 0.000 0.796 208 M N 0.023 119.649 119.600 0.043 0.000 2.248 208 M HA 0.039 4.521 4.480 0.004 0.000 0.265 208 M C 1.851 178.169 176.300 0.030 0.000 1.079 208 M CA 1.382 56.707 55.300 0.043 0.000 1.150 208 M CB -1.407 31.208 32.600 0.025 0.000 1.366 208 M HN -0.246 nan 8.290 nan 0.000 0.433 209 N N -0.801 117.899 118.700 -0.001 0.000 2.244 209 N HA -0.104 4.639 4.740 0.004 0.000 0.183 209 N C 1.241 176.738 175.510 -0.022 0.000 1.016 209 N CA 1.794 54.826 53.050 -0.031 0.000 0.866 209 N CB -0.071 38.367 38.487 -0.082 0.000 0.980 209 N HN 0.408 nan 8.380 nan 0.000 0.430 210 T N 1.388 115.945 114.554 0.004 0.000 2.737 210 T HA -0.120 4.232 4.350 0.004 0.000 0.265 210 T C 1.910 176.677 174.700 0.111 0.000 1.038 210 T CA 0.783 62.910 62.100 0.045 0.000 1.144 210 T CB -0.280 68.624 68.868 0.061 0.000 0.866 210 T HN 0.139 nan 8.240 nan 0.000 0.434 211 L N 1.965 123.268 121.223 0.133 0.000 2.046 211 L HA -0.013 4.329 4.340 0.004 0.000 0.208 211 L C 1.876 178.843 176.870 0.162 0.000 1.077 211 L CA 1.722 56.681 54.840 0.197 0.000 0.747 211 L CB -0.912 41.281 42.059 0.222 0.000 0.896 211 L HN 0.059 nan 8.230 nan 0.000 0.432 212 N N -0.659 118.097 118.700 0.093 0.000 2.223 212 N HA -0.141 4.602 4.740 0.004 0.000 0.185 212 N C 1.921 177.482 175.510 0.085 0.000 1.016 212 N CA 1.454 54.542 53.050 0.064 0.000 0.863 212 N CB -0.345 38.163 38.487 0.034 0.000 0.983 212 N HN 0.360 nan 8.380 nan 0.000 0.429 213 S N 0.104 115.859 115.700 0.091 0.000 2.387 213 S HA 0.055 4.527 4.470 0.004 0.000 0.226 213 S C 1.982 176.657 174.600 0.125 0.000 1.026 213 S CA 0.834 59.106 58.200 0.120 0.000 0.972 213 S CB -0.148 63.152 63.200 0.167 0.000 0.814 213 S HN 0.492 nan 8.310 nan 0.000 0.477 214 A N 1.598 124.513 122.820 0.159 0.000 1.930 214 A HA -0.061 4.261 4.320 0.004 0.000 0.217 214 A C 2.251 180.133 177.584 0.497 0.000 1.175 214 A CA 1.798 53.952 52.037 0.195 0.000 0.627 214 A CB -0.661 18.462 19.000 0.206 0.000 0.815 214 A HN 0.596 nan 8.150 nan 0.000 0.443 215 S N -1.803 114.139 115.700 0.404 0.000 2.528 215 S HA 0.210 4.682 4.470 0.004 0.000 0.219 215 S C 0.901 175.638 174.600 0.229 0.000 0.985 215 S CA 0.605 58.960 58.200 0.258 0.000 0.914 215 S CB 0.073 63.204 63.200 -0.116 0.000 0.776 215 S HN 0.621 nan 8.310 nan 0.000 0.526 216 L N -0.247 121.068 121.223 0.154 0.000 4.950 216 L HA -0.174 4.168 4.340 0.004 0.000 0.413 216 L C 1.371 178.315 176.870 0.123 0.000 1.020 216 L CA 0.698 55.600 54.840 0.102 0.000 1.239 216 L CB -2.408 39.714 42.059 0.105 0.000 2.004 216 L HN 0.385 nan 8.230 nan 0.000 0.658 217 V N -0.414 119.564 119.914 0.106 0.000 2.515 217 V HA -0.217 3.905 4.120 0.004 0.000 0.250 217 V C 2.198 178.381 176.094 0.147 0.000 1.058 217 V CA 2.298 64.676 62.300 0.131 0.000 1.064 217 V CB -0.433 31.396 31.823 0.010 0.000 0.675 217 V HN 0.588 nan 8.190 nan 0.000 0.461 218 N N 0.739 119.495 118.700 0.094 0.000 2.061 218 N HA -0.246 4.496 4.740 0.004 0.000 0.193 218 N C 1.748 177.313 175.510 0.092 0.000 1.030 218 N CA 1.710 54.805 53.050 0.075 0.000 0.856 218 N CB -0.189 38.319 38.487 0.034 0.000 1.023 218 N HN 0.229 nan 8.380 nan 0.000 0.424 219 K N -0.141 120.313 120.400 0.091 0.000 2.097 219 K HA 0.067 4.389 4.320 0.004 0.000 0.206 219 K C 1.893 178.556 176.600 0.106 0.000 1.049 219 K CA 1.437 57.778 56.287 0.090 0.000 0.933 219 K CB -1.048 31.495 32.500 0.071 0.000 0.717 219 K HN 0.315 nan 8.250 nan 0.000 0.442 220 G N 0.646 109.524 108.800 0.130 0.000 2.446 220 G HA2 -0.234 3.728 3.960 0.004 0.000 0.217 220 G HA3 -0.234 3.728 3.960 0.004 0.000 0.217 220 G C 1.498 176.426 174.900 0.047 0.000 1.168 220 G CA 1.051 46.208 45.100 0.095 0.000 0.771 220 G HN 0.295 nan 8.290 nan 0.000 0.551 221 L N 0.144 121.455 121.223 0.146 0.000 2.079 221 L HA -0.095 4.247 4.340 0.004 0.000 0.210 221 L C 2.858 179.783 176.870 0.093 0.000 1.081 221 L CA 1.362 56.271 54.840 0.115 0.000 0.752 221 L CB -0.400 41.741 42.059 0.137 0.000 0.896 221 L HN 0.302 nan 8.230 nan 0.000 0.433 222 E N -0.544 119.740 120.200 0.140 0.000 2.152 222 E HA -0.150 4.203 4.350 0.004 0.000 0.192 222 E C 2.294 179.068 176.600 0.290 0.000 0.983 222 E CA 0.898 57.457 56.400 0.265 0.000 0.818 222 E CB 0.026 29.891 29.700 0.274 0.000 0.758 222 E HN 0.276 nan 8.360 nan 0.000 0.467 223 V N 1.348 121.372 119.914 0.183 0.000 2.295 223 V HA -0.258 3.864 4.120 0.004 0.000 0.246 223 V C 2.194 178.441 176.094 0.255 0.000 1.049 223 V CA 1.520 63.939 62.300 0.198 0.000 1.024 223 V CB -0.327 31.596 31.823 0.166 0.000 0.648 223 V HN 0.247 nan 8.190 nan 0.000 0.447 224 I N -0.086 120.615 120.570 0.219 0.000 2.179 224 I HA -0.270 3.902 4.170 0.004 0.000 0.242 224 I C 2.607 178.806 176.117 0.137 0.000 1.088 224 I CA 1.974 63.421 61.300 0.244 0.000 1.357 224 I CB -0.405 37.648 38.000 0.088 0.000 1.051 224 I HN 0.390 nan 8.210 nan 0.000 0.409 225 E N 0.531 120.760 120.200 0.047 0.000 2.097 225 E HA -0.246 4.106 4.350 0.004 0.000 0.196 225 E C 2.054 178.605 176.600 -0.081 0.000 1.000 225 E CA 2.090 58.415 56.400 -0.125 0.000 0.804 225 E CB 0.033 29.507 29.700 -0.376 0.000 0.740 225 E HN 0.454 nan 8.360 nan 0.000 0.454 226 T N -0.564 114.113 114.554 0.205 0.000 2.708 226 T HA -0.217 4.135 4.350 0.004 0.000 0.266 226 T C 1.625 176.409 174.700 0.142 0.000 1.037 226 T CA 1.711 64.014 62.100 0.337 0.000 1.146 226 T CB -0.597 68.475 68.868 0.339 0.000 0.865 226 T HN 0.412 nan 8.240 nan 0.000 0.435 227 H N 1.032 120.037 119.070 -0.108 0.000 2.352 227 H HA 0.031 4.589 4.556 0.003 0.000 0.299 227 H C 1.964 177.184 175.328 -0.180 0.000 1.097 227 H CA 1.386 57.256 56.048 -0.296 0.000 1.311 227 H CB -0.485 28.784 29.762 -0.821 0.000 1.377 227 H HN 0.267 nan 8.280 nan 0.000 0.504 228 L N -0.555 120.556 121.223 -0.188 0.000 2.072 228 L HA -0.097 4.245 4.340 0.004 0.000 0.205 228 L C 2.512 179.197 176.870 -0.308 0.000 1.079 228 L CA 0.812 55.513 54.840 -0.233 0.000 0.752 228 L CB -0.323 41.667 42.059 -0.115 0.000 0.906 228 L HN 0.287 nan 8.230 nan 0.000 0.436 229 L N -1.365 119.616 121.223 -0.403 0.000 2.056 229 L HA -0.151 4.191 4.340 0.004 0.000 0.207 229 L C 1.915 178.394 176.870 -0.652 0.000 1.078 229 L CA 1.524 55.965 54.840 -0.665 0.000 0.749 229 L CB -0.211 41.176 42.059 -1.119 0.000 0.901 229 L HN 0.196 nan 8.230 nan 0.000 0.433 230 F N -1.470 118.396 119.950 -0.139 0.000 2.706 230 F HA 0.307 4.835 4.527 0.002 0.000 0.308 230 F C 1.626 177.333 175.800 -0.155 0.000 1.095 230 F CA 0.268 58.197 58.000 -0.119 0.000 1.244 230 F CB 0.446 39.398 39.000 -0.080 0.000 1.063 230 F HN 0.083 nan 8.300 nan 0.000 0.582 231 G N 1.764 110.486 108.800 -0.131 0.000 2.198 231 G HA2 -0.271 3.691 3.960 0.004 0.000 0.260 231 G HA3 -0.271 3.691 3.960 0.004 0.000 0.260 231 G C 0.038 174.846 174.900 -0.154 0.000 1.025 231 G CA -0.180 44.779 45.100 -0.234 0.000 0.769 231 G HN 0.159 nan 8.290 nan 0.000 0.507 232 I N 0.874 121.390 120.570 -0.089 0.000 2.396 232 I HA 0.313 4.485 4.170 0.004 0.000 0.292 232 I C -1.740 174.410 176.117 0.055 0.000 0.999 232 I CA -3.061 58.230 61.300 -0.016 0.000 1.310 232 I CB 0.944 38.938 38.000 -0.011 0.000 1.404 232 I HN -0.147 nan 8.210 nan 0.000 0.496 233 P HA 0.051 nan 4.420 nan 0.000 0.269 233 P C 0.408 177.696 177.300 -0.020 0.000 1.209 233 P CA 0.139 63.278 63.100 0.065 0.000 0.776 233 P CB 0.354 32.090 31.700 0.061 0.000 0.876 234 Y N 1.277 121.567 120.300 -0.017 0.000 2.241 234 Y HA -0.255 4.297 4.550 0.003 0.000 0.286 234 Y C 2.101 177.990 175.900 -0.019 0.000 1.166 234 Y CA 1.852 59.920 58.100 -0.054 0.000 1.203 234 Y CB -0.612 37.761 38.460 -0.145 0.000 0.977 234 Y HN 0.430 nan 8.280 nan 0.000 0.529 235 D N -0.245 120.227 120.400 0.120 0.000 2.363 235 D HA -0.097 4.545 4.640 0.004 0.000 0.226 235 D C 1.152 177.475 176.300 0.039 0.000 1.020 235 D CA 0.655 54.697 54.000 0.070 0.000 0.892 235 D CB -0.329 40.502 40.800 0.052 0.000 0.900 235 D HN 0.293 nan 8.370 nan 0.000 0.531 236 R N -0.124 120.392 120.500 0.026 0.000 2.509 236 R HA 0.363 4.705 4.340 0.004 0.000 0.300 236 R C 0.018 176.309 176.300 -0.015 0.000 0.985 236 R CA -0.241 55.857 56.100 -0.004 0.000 1.092 236 R CB 0.798 31.089 30.300 -0.016 0.000 1.237 236 R HN 0.195 nan 8.270 nan 0.000 0.546 237 I N 1.675 122.252 120.570 0.011 0.000 2.330 237 I HA 0.186 4.358 4.170 0.004 0.000 0.286 237 I C -0.564 175.570 176.117 0.029 0.000 1.025 237 I CA -0.587 60.721 61.300 0.014 0.000 1.197 237 I CB 1.288 39.310 38.000 0.036 0.000 1.358 237 I HN -0.183 nan 8.210 nan 0.000 0.467 238 D N 5.358 125.760 120.400 0.004 0.000 2.277 238 D HA 0.536 5.178 4.640 0.004 0.000 0.250 238 D C -0.527 175.786 176.300 0.022 0.000 1.032 238 D CA -0.253 53.755 54.000 0.013 0.000 0.947 238 D CB 2.701 43.497 40.800 -0.008 0.000 1.159 238 D HN 0.037 nan 8.370 nan 0.000 0.460 239 V N 1.431 121.367 119.914 0.037 0.000 2.531 239 V HA 0.404 4.527 4.120 0.004 0.000 0.301 239 V C -0.347 175.784 176.094 0.062 0.000 1.034 239 V CA -0.709 61.620 62.300 0.049 0.000 0.865 239 V CB 2.019 33.877 31.823 0.057 0.000 0.995 239 V HN 0.259 nan 8.190 nan 0.000 0.424 240 V N 5.197 125.161 119.914 0.082 0.000 2.540 240 V HA 0.450 4.572 4.120 0.004 0.000 0.302 240 V C -0.135 176.057 176.094 0.163 0.000 1.035 240 V CA -0.805 61.572 62.300 0.127 0.000 0.873 240 V CB 2.232 34.143 31.823 0.146 0.000 0.992 240 V HN 0.590 nan 8.190 nan 0.000 0.428 241 V N 3.980 123.981 119.914 0.146 0.000 2.508 241 V HA 0.245 4.367 4.120 0.004 0.000 0.281 241 V C -0.199 175.991 176.094 0.162 0.000 1.041 241 V CA -0.070 62.295 62.300 0.109 0.000 1.016 241 V CB 0.671 32.521 31.823 0.044 0.000 0.984 241 V HN 0.961 nan 8.190 nan 0.000 0.478 242 H N 7.221 126.272 119.070 -0.032 0.000 2.917 242 H HA 0.421 4.981 4.556 0.006 0.000 0.279 242 H C -2.386 172.839 175.328 -0.172 0.000 1.211 242 H CA -1.989 53.947 56.048 -0.186 0.000 1.534 242 H CB 2.072 31.706 29.762 -0.213 0.000 1.581 242 H HN 0.305 nan 8.280 nan 0.000 0.510 243 P HA -0.150 nan 4.420 nan 0.000 0.219 243 P C 0.975 178.007 177.300 -0.446 0.000 1.146 243 P CA 1.095 64.001 63.100 -0.324 0.000 0.808 243 P CB 0.473 32.044 31.700 -0.215 0.000 0.779 244 Q N -1.244 118.109 119.800 -0.746 0.000 2.311 244 Q HA 0.068 4.410 4.340 0.004 0.000 0.203 244 Q C 0.884 176.552 176.000 -0.553 0.000 0.954 244 Q CA 0.602 56.047 55.803 -0.597 0.000 0.885 244 Q CB -0.759 27.684 28.738 -0.492 0.000 0.963 244 Q HN 0.004 nan 8.270 nan 0.000 0.471 245 S N -0.713 114.609 115.700 -0.631 0.000 3.581 245 S HA -0.213 4.260 4.470 0.004 0.000 0.354 245 S C 0.701 175.081 174.600 -0.367 0.000 1.059 245 S CA 0.672 58.725 58.200 -0.245 0.000 1.060 245 S CB -1.762 61.391 63.200 -0.078 0.000 0.908 245 S HN 0.398 nan 8.310 nan 0.000 0.475 246 I N -0.181 120.142 120.570 -0.411 0.000 2.685 246 I HA 0.113 4.286 4.170 0.004 0.000 0.251 246 I C 0.937 176.531 176.117 -0.872 0.000 1.102 246 I CA 0.384 61.321 61.300 -0.605 0.000 1.442 246 I CB 0.086 37.701 38.000 -0.642 0.000 1.194 246 I HN 0.322 nan 8.210 nan 0.000 0.448 247 I N 2.643 122.798 120.570 -0.692 0.000 2.505 247 I HA -0.056 4.117 4.170 0.004 0.000 0.287 247 I C 1.081 176.998 176.117 -0.333 0.000 1.104 247 I CA 0.656 61.620 61.300 -0.560 0.000 1.387 247 I CB 0.209 37.907 38.000 -0.504 0.000 1.404 247 I HN 0.342 nan 8.210 nan 0.000 0.528 248 H N 3.666 122.734 119.070 -0.002 0.000 2.563 248 H HA 0.295 4.850 4.556 -0.001 0.000 0.264 248 H C 0.297 175.639 175.328 0.025 0.000 0.957 248 H CA 0.139 56.228 56.048 0.069 0.000 1.173 248 H CB 0.970 30.791 29.762 0.098 0.000 1.420 248 H HN 0.592 nan 8.280 nan 0.000 0.551 249 S N -0.613 115.128 115.700 0.068 0.000 2.719 249 S HA 0.310 4.782 4.470 0.004 0.000 0.272 249 S C -1.324 173.262 174.600 -0.023 0.000 0.964 249 S CA -0.810 57.392 58.200 0.003 0.000 0.944 249 S CB 1.088 64.264 63.200 -0.040 0.000 1.199 249 S HN 0.159 nan 8.310 nan 0.000 0.461 250 M N 0.989 120.551 119.600 -0.064 0.000 2.569 250 M HA 0.720 5.202 4.480 0.004 0.000 0.279 250 M C -1.560 174.654 176.300 -0.143 0.000 1.253 250 M CA -0.962 54.291 55.300 -0.077 0.000 0.867 250 M CB 1.994 34.547 32.600 -0.079 0.000 1.727 250 M HN 0.319 nan 8.290 nan 0.000 0.467 251 V N 0.660 120.471 119.914 -0.173 0.000 2.487 251 V HA 0.506 4.629 4.120 0.004 0.000 0.298 251 V C -0.455 175.397 176.094 -0.403 0.000 1.028 251 V CA -0.503 61.582 62.300 -0.358 0.000 0.860 251 V CB 2.033 33.547 31.823 -0.514 0.000 0.991 251 V HN 0.921 nan 8.190 nan 0.000 0.427 252 T N 5.694 120.013 114.554 -0.393 0.000 2.767 252 T HA 0.628 4.981 4.350 0.004 0.000 0.284 252 T C -0.429 174.044 174.700 -0.379 0.000 0.973 252 T CA 0.051 61.995 62.100 -0.261 0.000 0.996 252 T CB 0.349 69.135 68.868 -0.137 0.000 0.927 252 T HN 0.285 nan 8.240 nan 0.000 0.456 253 F N 1.790 121.720 119.950 -0.033 0.000 2.408 253 F HA 0.407 4.936 4.527 0.003 0.000 0.325 253 F C 1.899 177.686 175.800 -0.021 0.000 1.082 253 F CA -1.309 56.675 58.000 -0.026 0.000 1.032 253 F CB 0.572 39.559 39.000 -0.023 0.000 1.259 253 F HN 0.546 nan 8.300 nan 0.000 0.503 254 I N -1.453 119.229 120.570 0.186 0.000 2.916 254 I HA -0.138 4.035 4.170 0.004 0.000 0.267 254 I C 1.181 177.342 176.117 0.073 0.000 1.263 254 I CA 1.132 62.486 61.300 0.090 0.000 1.471 254 I CB -0.576 37.468 38.000 0.073 0.000 1.089 254 I HN 0.549 nan 8.210 nan 0.000 0.468 255 D N 0.994 121.448 120.400 0.091 0.000 2.350 255 D HA 0.136 4.778 4.640 0.004 0.000 0.213 255 D C 1.694 178.021 176.300 0.046 0.000 1.031 255 D CA 0.722 54.753 54.000 0.052 0.000 0.861 255 D CB 0.224 41.043 40.800 0.031 0.000 0.926 255 D HN 0.491 nan 8.370 nan 0.000 0.520 256 G N -0.323 108.515 108.800 0.063 0.000 2.195 256 G HA2 -0.242 3.720 3.960 0.004 0.000 0.224 256 G HA3 -0.242 3.720 3.960 0.004 0.000 0.224 256 G C 0.263 175.196 174.900 0.056 0.000 0.990 256 G CA 0.179 45.304 45.100 0.043 0.000 0.639 256 G HN 0.563 nan 8.290 nan 0.000 0.514 257 S N 0.765 116.523 115.700 0.097 0.000 2.548 257 S HA 0.610 5.083 4.470 0.004 0.000 0.277 257 S C 0.389 175.106 174.600 0.194 0.000 1.315 257 S CA 0.907 59.175 58.200 0.114 0.000 1.050 257 S CB 0.775 64.025 63.200 0.084 0.000 0.918 257 S HN 0.460 nan 8.310 nan 0.000 0.497 258 T N 5.975 120.601 114.554 0.121 0.000 2.797 258 T HA 0.516 4.868 4.350 0.004 0.000 0.279 258 T C -0.653 174.126 174.700 0.132 0.000 0.991 258 T CA -0.553 61.607 62.100 0.100 0.000 0.979 258 T CB 0.662 69.526 68.868 -0.006 0.000 0.943 258 T HN 0.465 nan 8.240 nan 0.000 0.444 259 I N 2.866 123.547 120.570 0.185 0.000 2.378 259 I HA 0.673 4.846 4.170 0.004 0.000 0.291 259 I C 0.190 176.362 176.117 0.092 0.000 0.992 259 I CA -0.946 60.455 61.300 0.169 0.000 1.154 259 I CB 1.052 39.222 38.000 0.284 0.000 1.315 259 I HN 0.709 nan 8.210 nan 0.000 0.448 260 A N 6.557 129.425 122.820 0.080 0.000 2.374 260 A HA 0.668 4.990 4.320 0.004 0.000 0.317 260 A C -0.694 176.934 177.584 0.073 0.000 1.094 260 A CA -0.583 51.486 52.037 0.053 0.000 0.765 260 A CB 2.245 21.271 19.000 0.044 0.000 1.268 260 A HN 0.650 nan 8.150 nan 0.000 0.438 261 Q N 0.710 120.547 119.800 0.062 0.000 2.282 261 Q HA 0.684 5.026 4.340 0.004 0.000 0.260 261 Q C -1.134 174.902 176.000 0.061 0.000 0.964 261 Q CA -0.453 55.408 55.803 0.096 0.000 0.880 261 Q CB 1.855 30.671 28.738 0.130 0.000 1.286 261 Q HN 1.093 nan 8.270 nan 0.000 0.445 262 A N 2.519 125.384 122.820 0.075 0.000 2.455 262 A HA 0.775 5.097 4.320 0.004 0.000 0.300 262 A C -1.256 176.382 177.584 0.090 0.000 1.040 262 A CA -0.216 51.786 52.037 -0.060 0.000 0.697 262 A CB 1.468 20.352 19.000 -0.193 0.000 1.265 262 A HN 0.833 nan 8.150 nan 0.000 0.407 263 S N 1.062 116.820 115.700 0.096 0.000 2.565 263 S HA 0.733 5.205 4.470 0.004 0.000 0.274 263 S C -3.477 171.202 174.600 0.132 0.000 1.144 263 S CA -1.228 57.061 58.200 0.150 0.000 0.849 263 S CB 1.219 64.538 63.200 0.199 0.000 1.103 263 S HN 0.349 nan 8.310 nan 0.000 0.455 264 P HA 0.265 nan 4.420 nan 0.000 0.265 264 P C -2.593 174.683 177.300 -0.040 0.000 1.193 264 P CA -0.616 62.457 63.100 -0.045 0.000 0.765 264 P CB -0.623 31.040 31.700 -0.061 0.000 0.823 265 P HA 0.027 nan 4.420 nan 0.000 0.258 265 P C -0.650 176.434 177.300 -0.360 0.000 1.187 265 P CA 1.113 63.843 63.100 -0.617 0.000 0.767 265 P CB 0.067 31.010 31.700 -1.261 0.000 0.770 266 D N 4.041 124.452 120.400 0.018 0.000 2.484 266 D HA 0.085 4.727 4.640 0.004 0.000 0.206 266 D C 0.691 177.146 176.300 0.259 0.000 1.322 266 D CA -0.330 53.762 54.000 0.153 0.000 0.913 266 D CB 0.868 41.701 40.800 0.055 0.000 1.559 266 D HN -0.045 nan 8.370 nan 0.000 0.565 267 M N 2.359 122.140 119.600 0.303 0.000 2.460 267 M HA -0.014 4.469 4.480 0.004 0.000 0.263 267 M C 1.532 177.860 176.300 0.047 0.000 1.071 267 M CA 0.929 56.302 55.300 0.121 0.000 1.096 267 M CB -0.412 32.209 32.600 0.035 0.000 1.408 267 M HN 0.396 nan 8.290 nan 0.000 0.463 268 K N -0.133 120.301 120.400 0.057 0.000 2.209 268 K HA -0.163 4.159 4.320 0.004 0.000 0.204 268 K C 1.854 178.475 176.600 0.036 0.000 1.048 268 K CA 0.767 57.072 56.287 0.031 0.000 0.940 268 K CB -0.214 32.308 32.500 0.035 0.000 0.729 268 K HN 0.155 nan 8.250 nan 0.000 0.451 269 L N 2.040 123.292 121.223 0.048 0.000 1.961 269 L HA -0.101 4.241 4.340 0.004 0.000 0.210 269 L C -1.254 175.646 176.870 0.051 0.000 1.072 269 L CA 1.834 56.705 54.840 0.053 0.000 0.749 269 L CB -1.022 41.069 42.059 0.053 0.000 0.889 269 L HN 0.036 nan 8.230 nan 0.000 0.432 270 P HA -0.151 nan 4.420 nan 0.000 0.218 270 P C 2.137 179.450 177.300 0.021 0.000 1.149 270 P CA 1.674 64.792 63.100 0.030 0.000 0.817 270 P CB -0.043 31.642 31.700 -0.025 0.000 0.785 271 I N 1.065 121.629 120.570 -0.011 0.000 2.127 271 I HA -0.274 3.898 4.170 0.004 0.000 0.241 271 I C 2.798 178.889 176.117 -0.043 0.000 1.075 271 I CA 2.251 63.525 61.300 -0.043 0.000 1.334 271 I CB -0.907 37.056 38.000 -0.062 0.000 1.040 271 I HN 0.069 nan 8.210 nan 0.000 0.405 272 S N 0.910 116.606 115.700 -0.007 0.000 2.368 272 S HA -0.202 4.270 4.470 0.004 0.000 0.225 272 S C 2.015 176.685 174.600 0.117 0.000 1.030 272 S CA 1.038 59.255 58.200 0.029 0.000 0.999 272 S CB -0.800 62.453 63.200 0.089 0.000 0.844 272 S HN 0.319 nan 8.310 nan 0.000 0.459 273 L N 2.130 123.438 121.223 0.143 0.000 2.056 273 L HA 0.240 4.583 4.340 0.004 0.000 0.207 273 L C 2.774 179.844 176.870 0.334 0.000 1.078 273 L CA 1.583 56.568 54.840 0.242 0.000 0.749 273 L CB -1.440 40.783 42.059 0.273 0.000 0.901 273 L HN 0.390 nan 8.230 nan 0.000 0.433 274 A N -0.696 122.243 122.820 0.198 0.000 1.902 274 A HA -0.166 4.156 4.320 0.004 0.000 0.217 274 A C 2.262 179.913 177.584 0.112 0.000 1.181 274 A CA 1.871 53.984 52.037 0.126 0.000 0.623 274 A CB -0.802 18.198 19.000 0.000 0.000 0.818 274 A HN 0.471 nan 8.150 nan 0.000 0.443 275 L N -1.156 120.079 121.223 0.021 0.000 2.046 275 L HA -0.107 4.235 4.340 0.004 0.000 0.208 275 L C 2.355 179.368 176.870 0.237 0.000 1.077 275 L CA 1.271 56.072 54.840 -0.064 0.000 0.747 275 L CB -0.484 41.226 42.059 -0.583 0.000 0.896 275 L HN 0.516 nan 8.230 nan 0.000 0.432 276 G N -2.365 106.666 108.800 0.386 0.000 3.393 276 G HA2 -0.060 3.902 3.960 0.004 0.000 0.255 276 G HA3 -0.060 3.902 3.960 0.004 0.000 0.255 276 G C 0.217 175.284 174.900 0.279 0.000 1.097 276 G CA -0.533 44.829 45.100 0.437 0.000 0.780 276 G HN 0.166 nan 8.290 nan 0.000 0.540 277 W N 2.579 123.945 121.300 0.110 0.000 2.480 277 W HA 0.019 4.680 4.660 0.001 0.000 0.337 277 W C -1.412 175.145 176.519 0.062 0.000 1.201 277 W CA -0.672 56.718 57.345 0.074 0.000 1.309 277 W CB 0.981 30.475 29.460 0.056 0.000 1.168 277 W HN 0.144 nan 8.180 nan 0.000 0.566 278 P HA 0.047 nan 4.420 nan 0.000 0.255 278 P C -0.077 176.887 177.300 -0.560 0.000 1.248 278 P CA 0.574 63.063 63.100 -1.018 0.000 0.807 278 P CB 0.176 31.443 31.700 -0.723 0.000 1.150 279 R N 1.098 121.461 120.500 -0.228 0.000 2.298 279 R HA 0.287 4.629 4.340 0.004 0.000 0.310 279 R C 0.614 176.875 176.300 -0.064 0.000 1.068 279 R CA -0.388 55.634 56.100 -0.130 0.000 0.957 279 R CB 0.814 31.074 30.300 -0.067 0.000 1.003 279 R HN 0.110 nan 8.270 nan 0.000 0.454 280 R N 1.404 121.863 120.500 -0.068 0.000 2.594 280 R HA 0.142 4.484 4.340 0.004 0.000 0.272 280 R C -0.375 175.943 176.300 0.030 0.000 1.074 280 R CA -0.275 55.821 56.100 -0.008 0.000 1.105 280 R CB 0.749 31.038 30.300 -0.018 0.000 1.008 280 R HN 0.256 nan 8.270 nan 0.000 0.472 281 V N 2.360 122.318 119.914 0.075 0.000 2.318 281 V HA 0.039 4.161 4.120 0.004 0.000 0.271 281 V C 0.468 176.602 176.094 0.067 0.000 1.030 281 V CA -0.368 61.987 62.300 0.092 0.000 0.844 281 V CB 1.310 33.245 31.823 0.188 0.000 1.015 281 V HN 0.806 nan 8.190 nan 0.000 0.460 282 S N 4.457 120.181 115.700 0.041 0.000 2.563 282 S HA 0.303 4.775 4.470 0.004 0.000 0.294 282 S C 1.430 176.056 174.600 0.044 0.000 1.279 282 S CA 0.943 59.164 58.200 0.034 0.000 1.069 282 S CB -0.021 63.191 63.200 0.019 0.000 0.828 282 S HN 1.935 nan 8.310 nan 0.000 0.497 283 G N 3.341 112.166 108.800 0.042 0.000 2.155 283 G HA2 -0.274 3.688 3.960 0.004 0.000 0.257 283 G HA3 -0.274 3.688 3.960 0.004 0.000 0.257 283 G C 0.978 175.907 174.900 0.049 0.000 0.983 283 G CA 0.538 45.663 45.100 0.042 0.000 0.676 283 G HN 1.429 nan 8.290 nan 0.000 0.528 284 A N -0.893 121.962 122.820 0.059 0.000 1.940 284 A HA 0.520 4.843 4.320 0.004 0.000 0.219 284 A C 1.585 179.200 177.584 0.051 0.000 1.176 284 A CA 2.549 54.624 52.037 0.063 0.000 0.631 284 A CB -0.132 18.913 19.000 0.075 0.000 0.814 284 A HN 2.422 nan 8.150 nan 0.000 0.446 285 A N -2.920 119.928 122.820 0.047 0.000 2.610 285 A HA 0.673 4.995 4.320 0.004 0.000 0.291 285 A C -0.163 177.442 177.584 0.034 0.000 1.086 285 A CA -0.155 51.907 52.037 0.041 0.000 0.677 285 A CB -0.001 19.028 19.000 0.047 0.000 1.278 285 A HN 1.533 nan 8.150 nan 0.000 0.414 286 A N 0.294 123.128 122.820 0.023 0.000 2.462 286 A HA 0.610 4.932 4.320 0.004 0.000 0.243 286 A C 0.726 178.318 177.584 0.013 0.000 1.076 286 A CA 0.516 52.561 52.037 0.013 0.000 0.773 286 A CB -0.212 18.787 19.000 -0.002 0.000 1.010 286 A HN 2.381 nan 8.150 nan 0.000 0.493 287 A N 1.245 124.070 122.820 0.008 0.000 2.286 287 A HA 0.492 4.814 4.320 0.004 0.000 0.286 287 A C 0.464 178.008 177.584 -0.068 0.000 1.097 287 A CA -0.370 51.669 52.037 0.004 0.000 0.821 287 A CB -0.056 18.961 19.000 0.028 0.000 1.076 287 A HN 1.025 nan 8.150 nan 0.000 0.490 288 C N 1.544 120.777 119.300 -0.112 0.000 2.563 288 C HA 0.115 4.577 4.460 0.004 0.000 0.411 288 C C 0.615 175.273 174.990 -0.553 0.000 1.386 288 C CA 0.303 59.113 59.018 -0.346 0.000 1.703 288 C CB -0.960 26.505 27.740 -0.458 0.000 2.596 288 C HN 0.782 nan 8.230 nan 0.000 0.605 289 D N 1.507 121.609 120.400 -0.498 0.000 2.412 289 D HA 0.277 4.919 4.640 0.004 0.000 0.224 289 D C -0.088 175.927 176.300 -0.475 0.000 1.093 289 D CA -0.386 53.388 54.000 -0.376 0.000 0.850 289 D CB 0.270 40.979 40.800 -0.152 0.000 1.046 289 D HN 0.514 nan 8.370 nan 0.000 0.507 290 F N 1.736 121.563 119.950 -0.205 0.000 2.664 290 F HA 0.162 4.695 4.527 0.010 0.000 0.301 290 F C 1.429 177.106 175.800 -0.205 0.000 1.126 290 F CA -0.158 57.725 58.000 -0.195 0.000 1.373 290 F CB 0.197 39.091 39.000 -0.177 0.000 1.042 290 F HN 0.507 nan 8.300 nan 0.000 0.535 291 H N -2.072 117.059 119.070 0.101 0.000 2.551 291 H HA 0.141 4.699 4.556 0.003 0.000 0.271 291 H C 0.748 176.097 175.328 0.035 0.000 0.984 291 H CA 0.147 56.233 56.048 0.063 0.000 1.164 291 H CB 0.625 30.413 29.762 0.043 0.000 1.437 291 H HN -0.001 nan 8.280 nan 0.000 0.550 292 T N 0.282 114.898 114.554 0.102 0.000 2.900 292 T HA 0.618 4.970 4.350 0.004 0.000 0.295 292 T C -0.528 174.195 174.700 0.038 0.000 1.044 292 T CA -0.715 61.420 62.100 0.059 0.000 0.995 292 T CB 1.033 69.922 68.868 0.036 0.000 1.072 292 T HN 0.281 nan 8.240 nan 0.000 0.473 293 A N 2.765 125.602 122.820 0.028 0.000 2.483 293 A HA 0.615 4.937 4.320 0.004 0.000 0.238 293 A C 0.470 178.057 177.584 0.004 0.000 1.070 293 A CA 0.228 52.273 52.037 0.013 0.000 0.770 293 A CB -0.308 18.696 19.000 0.006 0.000 1.008 293 A HN 1.381 nan 8.150 nan 0.000 0.497 294 S N 0.050 115.742 115.700 -0.014 0.000 2.615 294 S HA 0.791 5.264 4.470 0.004 0.000 0.269 294 S C -0.707 173.860 174.600 -0.055 0.000 1.161 294 S CA -0.039 58.158 58.200 -0.006 0.000 0.817 294 S CB 1.223 64.450 63.200 0.045 0.000 1.131 294 S HN 2.134 nan 8.310 nan 0.000 0.467 295 S N 0.203 115.910 115.700 0.012 0.000 2.541 295 S HA 0.753 5.225 4.470 0.004 0.000 0.280 295 S C -1.931 172.811 174.600 0.236 0.000 1.112 295 S CA -0.711 57.494 58.200 0.008 0.000 0.925 295 S CB 0.798 64.010 63.200 0.020 0.000 1.067 295 S HN 0.764 nan 8.310 nan 0.000 0.479 296 W N 1.942 123.264 121.300 0.037 0.000 2.278 296 W HA 0.500 5.163 4.660 0.005 0.000 0.317 296 W C 0.014 176.430 176.519 -0.173 0.000 1.030 296 W CA -1.128 56.225 57.345 0.013 0.000 1.334 296 W CB 0.097 29.590 29.460 0.055 0.000 1.215 296 W HN 0.748 nan 8.180 nan 0.000 0.405 297 E N 2.052 122.227 120.200 -0.043 0.000 2.231 297 E HA 0.611 4.963 4.350 0.004 0.000 0.277 297 E C -1.156 175.212 176.600 -0.387 0.000 0.999 297 E CA -0.725 55.609 56.400 -0.109 0.000 0.827 297 E CB 1.583 31.265 29.700 -0.029 0.000 1.101 297 E HN 0.069 nan 8.360 nan 0.000 0.393 298 F N 1.182 121.240 119.950 0.179 0.000 2.551 298 F HA 0.328 4.860 4.527 0.007 0.000 0.316 298 F C -0.017 175.838 175.800 0.091 0.000 1.089 298 F CA -0.845 57.235 58.000 0.133 0.000 0.915 298 F CB 1.849 40.897 39.000 0.080 0.000 1.186 298 F HN 0.367 nan 8.300 nan 0.000 0.456 299 E N 2.063 122.406 120.200 0.237 0.000 2.366 299 E HA 0.509 4.861 4.350 0.004 0.000 0.278 299 E C -3.282 173.401 176.600 0.138 0.000 0.923 299 E CA -2.561 53.934 56.400 0.158 0.000 0.761 299 E CB 2.611 32.377 29.700 0.110 0.000 1.231 299 E HN 0.115 nan 8.360 nan 0.000 0.443 300 P HA 0.000 nan 4.420 nan 0.000 0.269 300 P C -0.382 176.976 177.300 0.097 0.000 1.209 300 P CA -0.529 62.630 63.100 0.098 0.000 0.776 300 P CB 0.587 32.338 31.700 0.085 0.000 0.876 301 L N 2.446 123.724 121.223 0.092 0.000 2.416 301 L HA 0.182 4.524 4.340 0.004 0.000 0.272 301 L C 0.388 177.340 176.870 0.137 0.000 1.161 301 L CA 0.231 55.130 54.840 0.098 0.000 0.845 301 L CB -0.344 41.766 42.059 0.085 0.000 1.119 301 L HN 0.232 nan 8.230 nan 0.000 0.464 302 D N 2.509 123.029 120.400 0.200 0.000 2.435 302 D HA 0.030 4.672 4.640 0.004 0.000 0.230 302 D C 1.147 177.600 176.300 0.256 0.000 1.215 302 D CA 0.466 54.605 54.000 0.230 0.000 0.947 302 D CB 0.737 41.711 40.800 0.291 0.000 1.048 302 D HN 0.768 nan 8.370 nan 0.000 0.512 303 T N -0.109 114.546 114.554 0.168 0.000 2.995 303 T HA -0.129 4.223 4.350 0.004 0.000 0.269 303 T C 1.163 175.926 174.700 0.105 0.000 1.091 303 T CA 0.565 62.752 62.100 0.145 0.000 1.128 303 T CB 0.195 69.123 68.868 0.100 0.000 0.891 303 T HN 0.190 nan 8.240 nan 0.000 0.492 304 D N 1.433 121.882 120.400 0.082 0.000 2.097 304 D HA -0.042 4.600 4.640 0.004 0.000 0.197 304 D C 2.264 178.558 176.300 -0.011 0.000 0.984 304 D CA 0.966 54.987 54.000 0.035 0.000 0.826 304 D CB -0.250 40.570 40.800 0.032 0.000 0.973 304 D HN 0.354 nan 8.370 nan 0.000 0.460 305 V N -0.124 119.775 119.914 -0.024 0.000 2.649 305 V HA -0.077 4.045 4.120 0.004 0.000 0.248 305 V C 0.621 176.427 176.094 -0.481 0.000 1.054 305 V CA 0.891 63.042 62.300 -0.248 0.000 1.073 305 V CB -0.230 31.434 31.823 -0.264 0.000 0.699 305 V HN 0.022 nan 8.190 nan 0.000 0.463 306 F N 1.218 121.207 119.950 0.065 0.000 2.449 306 F HA 0.408 4.939 4.527 0.006 0.000 0.344 306 F C -1.828 174.000 175.800 0.047 0.000 1.180 306 F CA -1.851 56.184 58.000 0.059 0.000 1.209 306 F CB 1.075 40.124 39.000 0.081 0.000 1.440 306 F HN 0.063 nan 8.300 nan 0.000 0.526 307 P HA 0.048 nan 4.420 nan 0.000 0.249 307 P C 1.332 178.703 177.300 0.118 0.000 1.229 307 P CA 0.451 63.612 63.100 0.100 0.000 0.788 307 P CB 0.345 32.072 31.700 0.045 0.000 1.072 308 A N 0.361 123.271 122.820 0.150 0.000 1.978 308 A HA -0.138 4.184 4.320 0.004 0.000 0.220 308 A C 2.224 179.932 177.584 0.206 0.000 1.170 308 A CA 1.787 53.935 52.037 0.185 0.000 0.636 308 A CB -1.516 17.586 19.000 0.170 0.000 0.810 308 A HN 0.110 nan 8.150 nan 0.000 0.448 309 V N -0.133 119.868 119.914 0.145 0.000 2.379 309 V HA -0.150 3.972 4.120 0.004 0.000 0.245 309 V C 2.514 178.631 176.094 0.039 0.000 1.044 309 V CA 1.871 64.225 62.300 0.090 0.000 1.036 309 V CB -0.643 31.233 31.823 0.089 0.000 0.664 309 V HN 0.469 nan 8.190 nan 0.000 0.453 310 E N 0.365 120.597 120.200 0.054 0.000 2.077 310 E HA -0.135 4.217 4.350 0.004 0.000 0.193 310 E C 2.231 178.826 176.600 -0.007 0.000 0.989 310 E CA 1.078 57.489 56.400 0.019 0.000 0.800 310 E CB -0.374 29.347 29.700 0.035 0.000 0.746 310 E HN 0.505 nan 8.360 nan 0.000 0.452 311 L N 0.421 121.674 121.223 0.051 0.000 2.079 311 L HA -0.187 4.155 4.340 0.004 0.000 0.210 311 L C 2.505 179.339 176.870 -0.059 0.000 1.081 311 L CA 1.192 56.083 54.840 0.086 0.000 0.752 311 L CB -0.567 41.639 42.059 0.245 0.000 0.896 311 L HN 0.066 nan 8.230 nan 0.000 0.433 312 A N 0.188 122.869 122.820 -0.233 0.000 1.902 312 A HA -0.211 4.111 4.320 0.004 0.000 0.217 312 A C 2.384 179.672 177.584 -0.493 0.000 1.181 312 A CA 1.506 53.135 52.037 -0.681 0.000 0.623 312 A CB -0.463 18.197 19.000 -0.566 0.000 0.818 312 A HN 0.321 nan 8.150 nan 0.000 0.443 313 R N -0.614 119.676 120.500 -0.350 0.000 2.091 313 R HA -0.177 4.165 4.340 0.004 0.000 0.238 313 R C 2.520 178.514 176.300 -0.510 0.000 1.136 313 R CA 1.805 57.607 56.100 -0.495 0.000 0.959 313 R CB -0.390 29.780 30.300 -0.216 0.000 0.856 313 R HN 0.699 nan 8.270 nan 0.000 0.437 314 Q N 0.042 119.676 119.800 -0.276 0.000 2.061 314 Q HA -0.147 4.195 4.340 0.004 0.000 0.204 314 Q C 2.273 178.147 176.000 -0.210 0.000 0.984 314 Q CA 1.703 57.393 55.803 -0.189 0.000 0.846 314 Q CB -0.213 28.481 28.738 -0.074 0.000 0.902 314 Q HN 0.380 nan 8.270 nan 0.000 0.421 315 A N 0.903 123.597 122.820 -0.211 0.000 1.902 315 A HA -0.134 4.188 4.320 0.004 0.000 0.217 315 A C 2.288 179.730 177.584 -0.237 0.000 1.181 315 A CA 1.726 53.666 52.037 -0.160 0.000 0.623 315 A CB -1.244 17.679 19.000 -0.129 0.000 0.818 315 A HN 0.496 nan 8.150 nan 0.000 0.443 316 G N -0.684 107.836 108.800 -0.466 0.000 2.418 316 G HA2 -0.098 3.864 3.960 0.004 0.000 0.217 316 G HA3 -0.098 3.864 3.960 0.004 0.000 0.217 316 G C 1.515 176.148 174.900 -0.446 0.000 1.158 316 G CA 1.172 45.942 45.100 -0.550 0.000 0.771 316 G HN 0.311 nan 8.290 nan 0.000 0.545 317 V N 1.604 121.170 119.914 -0.580 0.000 2.343 317 V HA -0.157 3.965 4.120 0.004 0.000 0.247 317 V C 3.338 179.368 176.094 -0.108 0.000 1.051 317 V CA 2.033 64.183 62.300 -0.251 0.000 1.036 317 V CB -0.815 30.878 31.823 -0.216 0.000 0.654 317 V HN 0.481 nan 8.190 nan 0.000 0.451 318 A N -0.929 121.824 122.820 -0.112 0.000 1.908 318 A HA 0.216 4.538 4.320 0.004 0.000 0.218 318 A C 1.724 179.299 177.584 -0.015 0.000 1.181 318 A CA 1.805 53.813 52.037 -0.049 0.000 0.627 318 A CB -0.988 17.990 19.000 -0.036 0.000 0.818 318 A HN 1.253 nan 8.150 nan 0.000 0.445 319 G N -2.804 105.988 108.800 -0.012 0.000 2.645 319 G HA2 0.260 4.222 3.960 0.004 0.000 0.239 319 G HA3 0.260 4.222 3.960 0.004 0.000 0.239 319 G C 1.273 176.202 174.900 0.048 0.000 1.331 319 G CA 0.674 45.796 45.100 0.037 0.000 0.890 319 G HN 2.333 nan 8.290 nan 0.000 0.572 320 G N -1.885 106.950 108.800 0.058 0.000 2.622 320 G HA2 -0.195 3.767 3.960 0.004 0.000 0.307 320 G HA3 -0.195 3.767 3.960 0.004 0.000 0.307 320 G C 1.419 176.365 174.900 0.076 0.000 1.226 320 G CA 1.846 46.985 45.100 0.065 0.000 0.997 320 G HN 2.171 nan 8.290 nan 0.000 0.551 321 C N 0.305 119.673 119.300 0.112 0.000 2.613 321 C HA 0.394 4.856 4.460 0.004 0.000 0.273 321 C C 2.571 177.615 174.990 0.090 0.000 1.304 321 C CA 1.149 60.227 59.018 0.101 0.000 1.702 321 C CB -1.030 26.801 27.740 0.152 0.000 1.792 321 C HN 0.563 nan 8.230 nan 0.000 0.588 322 M N 2.059 121.720 119.600 0.102 0.000 2.296 322 M HA -0.096 4.386 4.480 0.004 0.000 0.265 322 M C 2.381 178.734 176.300 0.089 0.000 1.064 322 M CA 1.878 57.239 55.300 0.102 0.000 1.109 322 M CB -0.589 32.053 32.600 0.070 0.000 1.396 322 M HN 0.524 nan 8.290 nan 0.000 0.430 323 T N -2.660 111.929 114.554 0.059 0.000 2.942 323 T HA 0.110 4.463 4.350 0.004 0.000 0.265 323 T C 1.928 176.688 174.700 0.100 0.000 1.062 323 T CA 0.921 63.058 62.100 0.062 0.000 1.139 323 T CB -0.880 68.003 68.868 0.025 0.000 0.883 323 T HN 0.321 nan 8.240 nan 0.000 0.468 324 A N 1.412 124.262 122.820 0.051 0.000 1.902 324 A HA 0.038 4.360 4.320 0.004 0.000 0.217 324 A C 2.604 180.197 177.584 0.016 0.000 1.181 324 A CA 1.595 53.641 52.037 0.015 0.000 0.623 324 A CB -1.184 17.792 19.000 -0.039 0.000 0.818 324 A HN 0.396 nan 8.150 nan 0.000 0.443 325 V N -1.374 118.557 119.914 0.029 0.000 2.295 325 V HA -0.306 3.816 4.120 0.004 0.000 0.246 325 V C 2.331 178.490 176.094 0.109 0.000 1.049 325 V CA 2.181 64.522 62.300 0.068 0.000 1.024 325 V CB -1.092 30.818 31.823 0.145 0.000 0.648 325 V HN 0.723 nan 8.190 nan 0.000 0.447 326 Y N 1.789 122.102 120.300 0.021 0.000 2.081 326 Y HA -0.349 4.202 4.550 0.002 0.000 0.280 326 Y C 2.558 178.455 175.900 -0.005 0.000 1.163 326 Y CA 2.520 60.627 58.100 0.011 0.000 1.135 326 Y CB -0.408 38.054 38.460 0.004 0.000 0.970 326 Y HN 0.387 nan 8.280 nan 0.000 0.498 327 N N 0.119 118.909 118.700 0.149 0.000 2.142 327 N HA -0.165 4.577 4.740 0.004 0.000 0.186 327 N C 1.857 177.335 175.510 -0.054 0.000 1.023 327 N CA 1.676 54.746 53.050 0.034 0.000 0.852 327 N CB -0.575 37.963 38.487 0.085 0.000 0.998 327 N HN 0.468 nan 8.380 nan 0.000 0.424 328 A N 0.262 123.059 122.820 -0.039 0.000 1.902 328 A HA 0.062 4.385 4.320 0.004 0.000 0.217 328 A C 2.336 179.867 177.584 -0.089 0.000 1.181 328 A CA 1.815 53.815 52.037 -0.061 0.000 0.623 328 A CB -1.246 17.716 19.000 -0.063 0.000 0.818 328 A HN 0.455 nan 8.150 nan 0.000 0.443 329 A N 0.397 123.155 122.820 -0.102 0.000 1.902 329 A HA -0.231 4.091 4.320 0.004 0.000 0.217 329 A C 1.957 179.447 177.584 -0.157 0.000 1.181 329 A CA 2.153 54.112 52.037 -0.129 0.000 0.623 329 A CB -0.815 18.115 19.000 -0.117 0.000 0.818 329 A HN 0.653 nan 8.150 nan 0.000 0.443 330 N N -0.000 118.570 118.700 -0.217 0.000 2.069 330 N HA -0.205 4.538 4.740 0.004 0.000 0.191 330 N C 1.636 177.076 175.510 -0.116 0.000 1.031 330 N CA 2.111 55.036 53.050 -0.207 0.000 0.852 330 N CB -0.329 37.998 38.487 -0.267 0.000 1.018 330 N HN 0.631 nan 8.380 nan 0.000 0.423 331 E N -0.424 119.723 120.200 -0.089 0.000 2.085 331 E HA -0.200 4.152 4.350 0.004 0.000 0.194 331 E C 1.675 178.250 176.600 -0.041 0.000 0.994 331 E CA 1.091 57.461 56.400 -0.051 0.000 0.801 331 E CB -0.083 29.592 29.700 -0.042 0.000 0.743 331 E HN 0.481 nan 8.360 nan 0.000 0.453 332 E N 0.466 120.631 120.200 -0.059 0.000 2.046 332 E HA -0.113 4.239 4.350 0.004 0.000 0.190 332 E C 2.093 178.670 176.600 -0.038 0.000 0.982 332 E CA 1.009 57.378 56.400 -0.052 0.000 0.800 332 E CB -0.362 29.293 29.700 -0.075 0.000 0.756 332 E HN 0.231 nan 8.360 nan 0.000 0.449 333 A N 1.618 124.404 122.820 -0.056 0.000 1.933 333 A HA -0.074 4.248 4.320 0.004 0.000 0.218 333 A C 2.414 180.006 177.584 0.014 0.000 1.175 333 A CA 2.060 54.073 52.037 -0.041 0.000 0.628 333 A CB -0.577 18.370 19.000 -0.088 0.000 0.814 333 A HN 0.256 nan 8.150 nan 0.000 0.444 334 A N -0.025 122.799 122.820 0.005 0.000 1.902 334 A HA 0.141 4.463 4.320 0.004 0.000 0.217 334 A C 2.520 180.185 177.584 0.135 0.000 1.181 334 A CA 2.130 54.214 52.037 0.078 0.000 0.623 334 A CB -1.073 17.950 19.000 0.039 0.000 0.818 334 A HN 1.084 nan 8.150 nan 0.000 0.443 335 A N -0.137 122.723 122.820 0.066 0.000 1.908 335 A HA 0.106 4.428 4.320 0.004 0.000 0.218 335 A C 2.501 180.117 177.584 0.053 0.000 1.181 335 A CA 2.264 54.332 52.037 0.052 0.000 0.627 335 A CB -1.009 18.002 19.000 0.018 0.000 0.818 335 A HN 1.088 nan 8.150 nan 0.000 0.445 336 A N -1.210 121.643 122.820 0.056 0.000 1.898 336 A HA 0.001 4.323 4.320 0.004 0.000 0.216 336 A C 2.045 179.679 177.584 0.084 0.000 1.181 336 A CA 1.578 53.644 52.037 0.049 0.000 0.620 336 A CB -0.696 18.325 19.000 0.035 0.000 0.819 336 A HN 0.736 nan 8.150 nan 0.000 0.442 337 F N 0.791 120.746 119.950 0.009 0.000 2.075 337 F HA -0.135 4.392 4.527 0.000 0.000 0.297 337 F C 1.857 177.692 175.800 0.058 0.000 1.113 337 F CA 1.781 59.806 58.000 0.041 0.000 1.218 337 F CB -0.400 38.637 39.000 0.062 0.000 0.984 337 F HN 0.128 nan 8.300 nan 0.000 0.472 338 L N 0.152 121.343 121.223 -0.053 0.000 2.127 338 L HA -0.195 4.147 4.340 0.004 0.000 0.211 338 L C 2.585 179.365 176.870 -0.150 0.000 1.089 338 L CA 1.129 55.887 54.840 -0.135 0.000 0.757 338 L CB -1.125 40.965 42.059 0.051 0.000 0.899 338 L HN 0.314 nan 8.230 nan 0.000 0.434 339 A N -0.581 122.184 122.820 -0.092 0.000 2.208 339 A HA 0.253 4.575 4.320 0.004 0.000 0.209 339 A C 1.760 179.288 177.584 -0.093 0.000 1.161 339 A CA 0.785 52.780 52.037 -0.070 0.000 0.782 339 A CB -0.351 18.630 19.000 -0.032 0.000 0.816 339 A HN 0.523 nan 8.150 nan 0.000 0.477 340 G N -0.825 107.882 108.800 -0.154 0.000 2.136 340 G HA2 -0.296 3.666 3.960 0.004 0.000 0.242 340 G HA3 -0.296 3.666 3.960 0.004 0.000 0.242 340 G C 0.929 175.794 174.900 -0.059 0.000 0.989 340 G CA 0.833 45.851 45.100 -0.136 0.000 0.682 340 G HN 0.627 nan 8.290 nan 0.000 0.522 341 R N 0.542 121.022 120.500 -0.033 0.000 2.140 341 R HA 0.417 4.760 4.340 0.004 0.000 0.213 341 R C 1.422 177.737 176.300 0.024 0.000 1.059 341 R CA 1.621 57.719 56.100 -0.003 0.000 1.000 341 R CB -0.127 30.172 30.300 -0.001 0.000 0.910 341 R HN 1.011 nan 8.270 nan 0.000 0.455 342 I N -2.984 117.624 120.570 0.063 0.000 3.042 342 I HA 0.716 4.888 4.170 0.004 0.000 0.310 342 I C 0.247 176.487 176.117 0.205 0.000 1.117 342 I CA -1.558 59.802 61.300 0.101 0.000 1.003 342 I CB 1.970 40.020 38.000 0.084 0.000 1.228 342 I HN 0.004 nan 8.210 nan 0.000 0.443 343 G N 0.879 109.784 108.800 0.176 0.000 2.599 343 G HA2 0.221 4.183 3.960 0.004 0.000 0.264 343 G HA3 0.221 4.183 3.960 0.004 0.000 0.264 343 G C -0.073 175.001 174.900 0.290 0.000 1.200 343 G CA -0.413 44.837 45.100 0.250 0.000 0.896 343 G HN 0.763 nan 8.290 nan 0.000 0.536 344 F N 1.544 121.547 119.950 0.088 0.000 2.134 344 F HA 0.010 4.539 4.527 0.003 0.000 0.299 344 F C -0.019 175.625 175.800 -0.260 0.000 1.097 344 F CA 1.375 59.175 58.000 -0.333 0.000 1.264 344 F CB -0.466 38.308 39.000 -0.375 0.000 1.001 344 F HN 0.293 nan 8.300 nan 0.000 0.479 345 P HA -0.059 nan 4.420 nan 0.000 0.226 345 P C 1.202 178.372 177.300 -0.217 0.000 1.153 345 P CA 1.571 64.540 63.100 -0.218 0.000 0.777 345 P CB -0.314 31.321 31.700 -0.108 0.000 0.794 346 A N -0.760 121.963 122.820 -0.161 0.000 2.066 346 A HA -0.095 4.227 4.320 0.004 0.000 0.218 346 A C 2.031 179.517 177.584 -0.162 0.000 1.157 346 A CA 0.791 52.757 52.037 -0.119 0.000 0.670 346 A CB -1.338 17.635 19.000 -0.045 0.000 0.804 346 A HN 0.118 nan 8.150 nan 0.000 0.453 347 I N -0.542 119.868 120.570 -0.267 0.000 2.099 347 I HA -0.237 3.935 4.170 0.004 0.000 0.239 347 I C 2.237 178.210 176.117 -0.241 0.000 1.066 347 I CA 1.477 62.612 61.300 -0.276 0.000 1.324 347 I CB -0.420 37.324 38.000 -0.426 0.000 1.037 347 I HN 0.143 nan 8.210 nan 0.000 0.401 348 V N 0.929 120.683 119.914 -0.267 0.000 2.719 348 V HA -0.096 4.026 4.120 0.004 0.000 0.252 348 V C 2.512 178.529 176.094 -0.129 0.000 1.065 348 V CA 1.737 63.926 62.300 -0.185 0.000 1.086 348 V CB -1.138 30.591 31.823 -0.156 0.000 0.700 348 V HN 0.581 nan 8.190 nan 0.000 0.467 349 G N 0.313 109.033 108.800 -0.132 0.000 2.446 349 G HA2 -0.241 3.721 3.960 0.004 0.000 0.217 349 G HA3 -0.241 3.721 3.960 0.004 0.000 0.217 349 G C 1.583 176.436 174.900 -0.077 0.000 1.168 349 G CA 1.078 46.122 45.100 -0.093 0.000 0.771 349 G HN 0.482 nan 8.290 nan 0.000 0.551 350 I N 0.599 121.114 120.570 -0.092 0.000 2.226 350 I HA -0.125 4.047 4.170 0.004 0.000 0.245 350 I C 2.656 178.728 176.117 -0.075 0.000 1.100 350 I CA 0.709 61.961 61.300 -0.080 0.000 1.374 350 I CB -0.158 37.790 38.000 -0.088 0.000 1.057 350 I HN 0.158 nan 8.210 nan 0.000 0.413 351 I N 0.670 121.175 120.570 -0.108 0.000 2.208 351 I HA -0.339 3.833 4.170 0.004 0.000 0.245 351 I C 2.781 178.891 176.117 -0.012 0.000 1.097 351 I CA 1.477 62.711 61.300 -0.111 0.000 1.363 351 I CB -0.589 37.269 38.000 -0.236 0.000 1.051 351 I HN 0.208 nan 8.210 nan 0.000 0.413 352 A N 0.580 123.398 122.820 -0.002 0.000 1.877 352 A HA -0.248 4.074 4.320 0.004 0.000 0.216 352 A C 1.980 179.608 177.584 0.073 0.000 1.186 352 A CA 2.156 54.219 52.037 0.042 0.000 0.620 352 A CB -0.651 18.354 19.000 0.008 0.000 0.822 352 A HN 0.344 nan 8.150 nan 0.000 0.443 353 D N -0.280 120.142 120.400 0.035 0.000 2.104 353 D HA -0.119 4.523 4.640 0.004 0.000 0.194 353 D C 2.088 178.469 176.300 0.135 0.000 0.994 353 D CA 1.578 55.616 54.000 0.063 0.000 0.830 353 D CB -0.476 40.330 40.800 0.010 0.000 0.959 353 D HN 0.220 nan 8.370 nan 0.000 0.452 354 V N 0.902 120.869 119.914 0.089 0.000 2.307 354 V HA -0.181 3.941 4.120 0.004 0.000 0.245 354 V C 2.679 178.950 176.094 0.295 0.000 1.045 354 V CA 1.003 63.378 62.300 0.124 0.000 1.024 354 V CB -0.441 31.385 31.823 0.005 0.000 0.651 354 V HN 0.204 nan 8.190 nan 0.000 0.449 355 L N -0.340 121.021 121.223 0.230 0.000 2.079 355 L HA -0.246 4.096 4.340 0.004 0.000 0.210 355 L C 2.610 179.618 176.870 0.230 0.000 1.081 355 L CA 2.112 57.095 54.840 0.240 0.000 0.752 355 L CB -0.687 41.487 42.059 0.193 0.000 0.896 355 L HN 0.513 nan 8.230 nan 0.000 0.433 356 H N -0.123 119.028 119.070 0.134 0.000 2.421 356 H HA -0.102 4.456 4.556 0.003 0.000 0.298 356 H C 1.917 177.325 175.328 0.133 0.000 1.087 356 H CA 1.449 57.559 56.048 0.103 0.000 1.330 356 H CB 0.181 29.987 29.762 0.073 0.000 1.388 356 H HN 0.282 nan 8.280 nan 0.000 0.526 357 A N -0.106 122.833 122.820 0.197 0.000 2.251 357 A HA 0.420 4.742 4.320 0.004 0.000 0.209 357 A C 1.843 179.578 177.584 0.251 0.000 1.187 357 A CA 0.509 52.683 52.037 0.228 0.000 0.823 357 A CB -0.472 18.770 19.000 0.403 0.000 0.846 357 A HN 0.517 nan 8.150 nan 0.000 0.486 358 A N -0.084 122.851 122.820 0.191 0.000 2.476 358 A HA 0.330 4.652 4.320 0.004 0.000 0.263 358 A C 0.847 178.345 177.584 -0.143 0.000 1.342 358 A CA 0.383 52.422 52.037 0.004 0.000 0.926 358 A CB -0.561 18.599 19.000 0.266 0.000 1.019 358 A HN 0.377 nan 8.150 nan 0.000 0.515 359 D N 1.175 121.458 120.400 -0.194 0.000 2.204 359 D HA -0.340 4.302 4.640 0.004 0.000 0.189 359 D C 2.261 178.364 176.300 -0.328 0.000 1.006 359 D CA 2.372 56.238 54.000 -0.223 0.000 0.855 359 D CB -0.230 40.442 40.800 -0.214 0.000 0.946 359 D HN 0.812 nan 8.370 nan 0.000 0.448 360 Q N -0.609 118.839 119.800 -0.586 0.000 2.297 360 Q HA -0.167 4.175 4.340 0.004 0.000 0.208 360 Q C 1.160 176.696 176.000 -0.774 0.000 0.981 360 Q CA 1.078 56.405 55.803 -0.792 0.000 0.876 360 Q CB -0.649 27.392 28.738 -1.161 0.000 0.921 360 Q HN 0.548 nan 8.270 nan 0.000 0.446 361 W N 0.225 121.369 121.300 -0.260 0.000 3.388 361 W HA 0.473 5.136 4.660 0.005 0.000 0.324 361 W C 1.683 178.137 176.519 -0.107 0.000 1.250 361 W CA -0.152 57.081 57.345 -0.187 0.000 1.809 361 W CB 0.410 29.743 29.460 -0.211 0.000 1.083 361 W HN 0.206 nan 8.180 nan 0.000 0.685 362 A N -0.046 122.788 122.820 0.024 0.000 2.167 362 A HA 0.086 4.408 4.320 0.004 0.000 0.214 362 A C 0.900 178.493 177.584 0.015 0.000 1.151 362 A CA 0.327 52.375 52.037 0.017 0.000 0.735 362 A CB -0.470 18.514 19.000 -0.026 0.000 0.802 362 A HN -0.027 nan 8.150 nan 0.000 0.467 363 V N 2.206 122.121 119.914 0.001 0.000 2.673 363 V HA 0.008 4.130 4.120 0.004 0.000 0.303 363 V C 0.290 176.413 176.094 0.049 0.000 1.046 363 V CA -0.339 61.963 62.300 0.003 0.000 1.126 363 V CB 0.422 32.224 31.823 -0.034 0.000 0.934 363 V HN 0.434 nan 8.190 nan 0.000 0.487 364 E N 6.149 126.369 120.200 0.033 0.000 2.376 364 E HA 0.174 4.527 4.350 0.004 0.000 0.266 364 E C -2.151 174.477 176.600 0.046 0.000 1.009 364 E CA -1.564 54.860 56.400 0.040 0.000 0.902 364 E CB 0.462 30.177 29.700 0.027 0.000 0.972 364 E HN 0.490 nan 8.360 nan 0.000 0.439 365 P HA 0.041 nan 4.420 nan 0.000 0.271 365 P C -0.248 177.070 177.300 0.030 0.000 1.220 365 P CA 0.082 63.212 63.100 0.050 0.000 0.768 365 P CB 1.123 32.847 31.700 0.041 0.000 0.848 366 A N 3.452 126.289 122.820 0.029 0.000 2.014 366 A HA 0.187 4.509 4.320 0.004 0.000 0.210 366 A C 1.020 178.612 177.584 0.014 0.000 1.188 366 A CA 1.297 53.344 52.037 0.017 0.000 0.731 366 A CB -0.383 18.627 19.000 0.016 0.000 0.858 366 A HN 0.644 nan 8.150 nan 0.000 0.464 367 T N -5.414 109.151 114.554 0.018 0.000 2.883 367 T HA 0.419 4.771 4.350 0.004 0.000 0.296 367 T C 0.736 175.443 174.700 0.012 0.000 1.117 367 T CA 0.181 62.289 62.100 0.012 0.000 1.006 367 T CB 1.198 70.074 68.868 0.014 0.000 1.191 367 T HN 0.366 nan 8.240 nan 0.000 0.508 368 V N 0.803 120.719 119.914 0.003 0.000 2.453 368 V HA -0.175 3.947 4.120 0.004 0.000 0.252 368 V C 1.921 178.017 176.094 0.003 0.000 1.068 368 V CA 2.427 64.725 62.300 -0.002 0.000 1.070 368 V CB -0.867 30.950 31.823 -0.008 0.000 0.664 368 V HN 0.931 nan 8.190 nan 0.000 0.461 369 D N -0.319 120.088 120.400 0.013 0.000 2.178 369 D HA -0.143 4.499 4.640 0.004 0.000 0.202 369 D C 1.807 178.130 176.300 0.037 0.000 0.974 369 D CA 1.491 55.504 54.000 0.021 0.000 0.841 369 D CB -0.182 40.635 40.800 0.027 0.000 0.953 369 D HN 0.543 nan 8.370 nan 0.000 0.478 370 D N 0.411 120.841 120.400 0.050 0.000 2.097 370 D HA -0.106 4.536 4.640 0.004 0.000 0.195 370 D C 2.352 178.679 176.300 0.046 0.000 0.989 370 D CA 0.461 54.516 54.000 0.092 0.000 0.827 370 D CB -0.243 40.614 40.800 0.096 0.000 0.966 370 D HN 0.084 nan 8.370 nan 0.000 0.456 371 V N 1.229 121.146 119.914 0.005 0.000 2.343 371 V HA -0.210 3.912 4.120 0.004 0.000 0.247 371 V C 2.663 178.704 176.094 -0.088 0.000 1.051 371 V CA 1.135 63.410 62.300 -0.042 0.000 1.036 371 V CB -0.492 31.316 31.823 -0.026 0.000 0.654 371 V HN 0.182 nan 8.190 nan 0.000 0.451 372 L N -0.309 120.882 121.223 -0.054 0.000 2.083 372 L HA -0.172 4.170 4.340 0.004 0.000 0.209 372 L C 2.372 179.194 176.870 -0.079 0.000 1.083 372 L CA 1.453 56.260 54.840 -0.056 0.000 0.752 372 L CB -0.790 41.255 42.059 -0.023 0.000 0.899 372 L HN 0.319 nan 8.230 nan 0.000 0.433 373 D N 0.390 120.754 120.400 -0.060 0.000 2.104 373 D HA -0.172 4.470 4.640 0.004 0.000 0.194 373 D C 2.255 178.331 176.300 -0.373 0.000 0.994 373 D CA 1.591 55.565 54.000 -0.042 0.000 0.830 373 D CB -0.076 40.819 40.800 0.159 0.000 0.959 373 D HN 0.310 nan 8.370 nan 0.000 0.452 374 A N 0.760 123.123 122.820 -0.761 0.000 1.877 374 A HA -0.248 4.074 4.320 0.004 0.000 0.216 374 A C 2.142 179.341 177.584 -0.642 0.000 1.186 374 A CA 1.653 52.836 52.037 -1.423 0.000 0.620 374 A CB -0.681 17.753 19.000 -0.944 0.000 0.822 374 A HN 0.242 nan 8.150 nan 0.000 0.443 375 Q N -1.104 118.502 119.800 -0.324 0.000 2.084 375 Q HA -0.179 4.163 4.340 0.004 0.000 0.202 375 Q C 2.390 178.323 176.000 -0.111 0.000 0.978 375 Q CA 1.547 57.251 55.803 -0.165 0.000 0.844 375 Q CB -0.214 28.458 28.738 -0.110 0.000 0.898 375 Q HN 0.680 nan 8.270 nan 0.000 0.426 376 R N 0.038 120.484 120.500 -0.089 0.000 2.083 376 R HA -0.221 4.121 4.340 0.004 0.000 0.237 376 R C 1.966 178.270 176.300 0.006 0.000 1.137 376 R CA 1.888 57.971 56.100 -0.029 0.000 0.951 376 R CB -0.401 29.905 30.300 0.010 0.000 0.851 376 R HN 0.408 nan 8.270 nan 0.000 0.434 377 W N 0.731 121.946 121.300 -0.142 0.000 2.335 377 W HA -0.194 4.468 4.660 0.003 0.000 0.311 377 W C 2.038 178.519 176.519 -0.064 0.000 1.213 377 W CA 2.166 59.487 57.345 -0.040 0.000 1.274 377 W CB -0.398 29.121 29.460 0.099 0.000 1.148 377 W HN 0.228 nan 8.180 nan 0.000 0.498 378 A N 0.829 123.642 122.820 -0.011 0.000 1.902 378 A HA -0.182 4.140 4.320 0.004 0.000 0.217 378 A C 2.027 179.446 177.584 -0.275 0.000 1.181 378 A CA 1.820 53.749 52.037 -0.179 0.000 0.623 378 A CB -0.773 18.233 19.000 0.009 0.000 0.818 378 A HN 0.426 nan 8.150 nan 0.000 0.443 379 R N -0.690 119.699 120.500 -0.185 0.000 2.081 379 R HA -0.142 4.200 4.340 0.004 0.000 0.235 379 R C 2.261 178.446 176.300 -0.192 0.000 1.131 379 R CA 1.492 57.498 56.100 -0.156 0.000 0.960 379 R CB -0.343 29.896 30.300 -0.102 0.000 0.856 379 R HN 0.745 nan 8.270 nan 0.000 0.436 380 E N 0.582 120.642 120.200 -0.233 0.000 2.051 380 E HA -0.227 4.125 4.350 0.004 0.000 0.192 380 E C 2.109 178.517 176.600 -0.319 0.000 0.991 380 E CA 1.045 57.303 56.400 -0.236 0.000 0.799 380 E CB 0.099 29.670 29.700 -0.214 0.000 0.748 380 E HN -0.012 nan 8.360 nan 0.000 0.449 381 R N 0.563 120.729 120.500 -0.556 0.000 2.096 381 R HA -0.068 4.274 4.340 0.004 0.000 0.235 381 R C 1.934 178.041 176.300 -0.321 0.000 1.127 381 R CA 1.614 57.377 56.100 -0.561 0.000 0.968 381 R CB -0.696 28.958 30.300 -1.077 0.000 0.861 381 R HN 0.202 nan 8.270 nan 0.000 0.440 382 A N 0.276 122.926 122.820 -0.283 0.000 1.902 382 A HA -0.182 4.140 4.320 0.004 0.000 0.217 382 A C 1.950 179.455 177.584 -0.131 0.000 1.181 382 A CA 1.464 53.396 52.037 -0.174 0.000 0.623 382 A CB -0.481 18.428 19.000 -0.151 0.000 0.818 382 A HN 0.360 nan 8.150 nan 0.000 0.443 383 Q N -0.371 119.349 119.800 -0.133 0.000 2.124 383 Q HA -0.128 4.214 4.340 0.004 0.000 0.202 383 Q C 2.179 178.128 176.000 -0.085 0.000 0.977 383 Q CA 1.415 57.161 55.803 -0.095 0.000 0.850 383 Q CB -0.457 28.229 28.738 -0.087 0.000 0.901 383 Q HN 0.693 nan 8.270 nan 0.000 0.429 384 R N 0.203 120.640 120.500 -0.106 0.000 2.083 384 R HA -0.116 4.226 4.340 0.004 0.000 0.237 384 R C 2.222 178.483 176.300 -0.065 0.000 1.137 384 R CA 1.389 57.439 56.100 -0.083 0.000 0.951 384 R CB -0.323 29.919 30.300 -0.097 0.000 0.851 384 R HN 0.266 nan 8.270 nan 0.000 0.434 385 A N 0.251 123.026 122.820 -0.076 0.000 1.898 385 A HA -0.105 4.217 4.320 0.004 0.000 0.216 385 A C 2.300 179.856 177.584 -0.046 0.000 1.181 385 A CA 1.318 53.321 52.037 -0.056 0.000 0.620 385 A CB -0.452 18.510 19.000 -0.063 0.000 0.819 385 A HN 0.142 nan 8.150 nan 0.000 0.442 386 V N -0.085 119.800 119.914 -0.049 0.000 2.261 386 V HA -0.247 3.875 4.120 0.004 0.000 0.246 386 V C 2.760 178.838 176.094 -0.027 0.000 1.047 386 V CA 2.370 64.650 62.300 -0.034 0.000 1.015 386 V CB -0.970 30.833 31.823 -0.032 0.000 0.642 386 V HN 0.556 nan 8.190 nan 0.000 0.446 387 S N 0.632 116.313 115.700 -0.031 0.000 2.402 387 S HA -0.173 4.299 4.470 0.004 0.000 0.233 387 S C 1.836 176.425 174.600 -0.020 0.000 1.030 387 S CA 1.405 59.590 58.200 -0.025 0.000 1.003 387 S CB -0.598 62.585 63.200 -0.028 0.000 0.813 387 S HN 0.733 nan 8.310 nan 0.000 0.477 388 G N 1.042 109.829 108.800 -0.022 0.000 3.026 388 G HA2 0.310 4.273 3.960 0.004 0.000 0.208 388 G HA3 0.310 4.273 3.960 0.004 0.000 0.208 388 G C 0.256 175.147 174.900 -0.015 0.000 1.169 388 G CA 0.068 45.158 45.100 -0.017 0.000 0.788 388 G HN 0.571 nan 8.290 nan 0.000 0.533 389 M N 0.000 119.592 119.600 -0.014 0.000 2.572 389 M HA 0.000 4.482 4.480 0.004 0.000 0.227 389 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 389 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411