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 1s3s_1_E DATA FIRST_RESID 23 DATA SEQUENCE PNRLIVDEAI NEDNSVVSLS QPKMDELQLF RGDTVLLKGK KRREAVCIVL DATA SEQUENCE SDDTCSDEKI RMNRVVRNNL RVRLGDVISI QPCPDVKYGK RIHVLPIDDT DATA SEQUENCE VEGITGNLFE VYLKPYFLEA YRPIRKGDIF LVRGGMRAVE FKVVETDPSP DATA SEQUENCE YCIVAPDTVI HCEGEPIKRE DEEESLNEVG YDDVGGCRKQ LAQIKEMVEL DATA SEQUENCE PLRHPALFKA IGVKPPRGIL LYGPPGTGKT LIARAVANET GAFFFLINGP DATA SEQUENCE EIMSKLAGES ESNLRKAFEE AEKNAPAIIF IDELDAIAPK REKTHGEVER DATA SEQUENCE RIVSQLLTLM DGLKQRAHVI VMAATNRPNS IDPALRRFGR FDREVDIGIP DATA SEQUENCE DATGRLEILQ IHTKNMKLAD DVDLEQVANE THGHVGADLA ALCSEAALQA DATA SEQUENCE IRKKMDLIDL EDETIDAEVM NSLAVTMDDF RWALSQ 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 23 P HA 0.000 nan 4.420 nan 0.000 0.216 23 P C 0.000 177.300 177.300 -0.001 0.000 1.155 23 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 23 P CB 0.000 31.701 31.700 0.001 0.000 0.726 24 N N 0.134 118.835 118.700 0.001 0.000 2.451 24 N HA 0.157 4.897 4.740 -0.000 0.000 0.264 24 N C -0.320 175.192 175.510 0.003 0.000 1.167 24 N CA -0.509 52.542 53.050 0.001 0.000 0.898 24 N CB 0.536 39.024 38.487 0.002 0.000 1.176 24 N HN 0.172 nan 8.380 nan 0.000 0.507 25 R N 0.942 121.445 120.500 0.004 0.000 2.343 25 R HA 0.525 4.865 4.340 -0.000 0.000 0.320 25 R C -0.842 175.462 176.300 0.007 0.000 0.956 25 R CA -0.712 55.392 56.100 0.006 0.000 0.836 25 R CB 1.197 31.501 30.300 0.008 0.000 1.151 25 R HN 0.330 nan 8.270 nan 0.000 0.450 26 L N 0.739 121.967 121.223 0.009 0.000 2.424 26 L HA 0.680 5.020 4.340 -0.000 0.000 0.258 26 L C -0.510 176.369 176.870 0.015 0.000 0.995 26 L CA -1.266 53.580 54.840 0.011 0.000 0.821 26 L CB 1.931 43.995 42.059 0.008 0.000 1.383 26 L HN 0.435 nan 8.230 nan 0.000 0.410 27 I N 2.163 122.745 120.570 0.019 0.000 2.325 27 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 27 I C 0.342 176.473 176.117 0.023 0.000 1.019 27 I CA -0.751 60.565 61.300 0.025 0.000 1.302 27 I CB 1.755 39.776 38.000 0.035 0.000 1.401 27 I HN 0.408 nan 8.210 nan 0.000 0.485 28 V N 6.743 126.669 119.914 0.020 0.000 2.425 28 V HA 0.015 4.135 4.120 -0.000 0.000 0.276 28 V C -0.061 176.049 176.094 0.026 0.000 1.017 28 V CA 0.587 62.897 62.300 0.017 0.000 1.062 28 V CB 0.833 32.660 31.823 0.007 0.000 0.997 28 V HN 0.797 nan 8.190 nan 0.000 0.476 29 D N 4.512 124.929 120.400 0.028 0.000 2.588 29 D HA 0.377 5.017 4.640 -0.000 0.000 0.268 29 D C 0.030 176.353 176.300 0.039 0.000 1.176 29 D CA -0.454 53.571 54.000 0.041 0.000 1.080 29 D CB 1.357 42.180 40.800 0.038 0.000 1.186 29 D HN 0.717 nan 8.370 nan 0.000 0.619 30 E N -0.752 119.480 120.200 0.054 0.000 2.349 30 E HA 0.531 4.881 4.350 -0.000 0.000 0.262 30 E C -0.850 175.771 176.600 0.036 0.000 1.088 30 E CA -0.736 55.695 56.400 0.053 0.000 0.899 30 E CB 1.206 30.958 29.700 0.086 0.000 1.044 30 E HN 0.413 nan 8.360 nan 0.000 0.420 31 A N 2.247 125.085 122.820 0.029 0.000 2.306 31 A HA 0.325 4.645 4.320 -0.000 0.000 0.330 31 A C 0.343 177.942 177.584 0.025 0.000 1.146 31 A CA -0.521 51.529 52.037 0.023 0.000 0.827 31 A CB 0.592 19.602 19.000 0.018 0.000 1.178 31 A HN 0.575 nan 8.150 nan 0.000 0.490 32 I N 0.251 120.834 120.570 0.021 0.000 3.172 32 I HA 0.046 4.216 4.170 -0.000 0.000 0.278 32 I C 0.749 176.877 176.117 0.019 0.000 1.174 32 I CA 0.680 61.992 61.300 0.020 0.000 1.445 32 I CB -0.570 37.441 38.000 0.018 0.000 1.175 32 I HN 0.677 nan 8.210 nan 0.000 0.447 33 N N 2.667 121.378 118.700 0.018 0.000 2.472 33 N HA -0.002 4.738 4.740 -0.000 0.000 0.277 33 N C 0.012 175.535 175.510 0.021 0.000 1.081 33 N CA 0.197 53.258 53.050 0.019 0.000 0.973 33 N CB 1.183 39.681 38.487 0.018 0.000 1.105 33 N HN 0.069 nan 8.380 nan 0.000 0.470 34 E N 1.512 121.725 120.200 0.023 0.000 2.304 34 E HA 0.062 4.411 4.350 -0.000 0.000 0.212 34 E C -0.712 175.910 176.600 0.037 0.000 1.185 34 E CA -0.123 56.292 56.400 0.025 0.000 1.326 34 E CB -0.068 29.645 29.700 0.022 0.000 1.283 34 E HN 0.453 nan 8.360 nan 0.000 0.440 35 D N 0.774 121.197 120.400 0.038 0.000 2.192 35 D HA 0.136 4.776 4.640 -0.000 0.000 0.246 35 D C 0.516 176.852 176.300 0.061 0.000 1.042 35 D CA -0.532 53.499 54.000 0.052 0.000 0.847 35 D CB 0.890 41.710 40.800 0.033 0.000 1.186 35 D HN -0.174 nan 8.370 nan 0.000 0.461 36 N N 1.249 120.008 118.700 0.100 0.000 2.501 36 N HA -0.033 4.706 4.740 -0.000 0.000 0.195 36 N C 0.235 175.799 175.510 0.090 0.000 1.213 36 N CA 0.271 53.385 53.050 0.107 0.000 0.864 36 N CB 0.498 39.084 38.487 0.164 0.000 0.999 36 N HN 0.141 nan 8.380 nan 0.000 0.454 37 S N -0.501 115.232 115.700 0.055 0.000 2.893 37 S HA 0.202 4.672 4.470 -0.000 0.000 0.258 37 S C 0.020 174.628 174.600 0.013 0.000 1.034 37 S CA -0.325 57.892 58.200 0.028 0.000 1.167 37 S CB 1.032 64.234 63.200 0.005 0.000 1.137 37 S HN -0.134 nan 8.310 nan 0.000 0.650 38 V N 2.856 122.781 119.914 0.018 0.000 2.472 38 V HA 0.664 4.784 4.120 -0.000 0.000 0.290 38 V C -0.255 175.847 176.094 0.014 0.000 1.037 38 V CA -0.644 61.665 62.300 0.014 0.000 0.908 38 V CB 1.607 33.440 31.823 0.016 0.000 0.985 38 V HN 0.214 nan 8.190 nan 0.000 0.454 39 V N 1.543 121.463 119.914 0.010 0.000 2.638 39 V HA 0.797 4.917 4.120 -0.000 0.000 0.306 39 V C -0.434 175.665 176.094 0.009 0.000 1.052 39 V CA -0.408 61.897 62.300 0.009 0.000 0.885 39 V CB 1.798 33.623 31.823 0.004 0.000 0.999 39 V HN 0.727 nan 8.190 nan 0.000 0.424 40 S N 4.474 120.181 115.700 0.010 0.000 2.472 40 S HA 0.886 5.356 4.470 -0.000 0.000 0.303 40 S C -0.605 173.999 174.600 0.007 0.000 1.099 40 S CA -0.578 57.628 58.200 0.010 0.000 1.077 40 S CB 0.859 64.066 63.200 0.012 0.000 1.031 40 S HN 0.769 nan 8.310 nan 0.000 0.487 41 L N 2.221 123.447 121.223 0.004 0.000 2.230 41 L HA 0.644 4.984 4.340 -0.000 0.000 0.255 41 L C 0.044 176.913 176.870 -0.001 0.000 1.039 41 L CA -1.135 53.706 54.840 0.001 0.000 0.846 41 L CB 1.963 44.020 42.059 -0.004 0.000 1.419 41 L HN 0.694 nan 8.230 nan 0.000 0.435 42 S N -0.871 114.826 115.700 -0.004 0.000 2.562 42 S HA 0.142 4.611 4.470 -0.000 0.000 0.275 42 S C 0.460 175.053 174.600 -0.013 0.000 1.281 42 S CA -0.538 57.659 58.200 -0.005 0.000 1.045 42 S CB 1.838 65.036 63.200 -0.004 0.000 0.962 42 S HN 0.643 nan 8.310 nan 0.000 0.503 43 Q N 2.867 122.660 119.800 -0.013 0.000 2.082 43 Q HA -0.127 4.212 4.340 -0.000 0.000 0.211 43 Q C -1.165 174.817 176.000 -0.029 0.000 1.002 43 Q CA 2.806 58.597 55.803 -0.020 0.000 0.868 43 Q CB -1.743 26.985 28.738 -0.015 0.000 0.931 43 Q HN 0.671 nan 8.270 nan 0.000 0.414 44 P HA -0.144 nan 4.420 nan 0.000 0.215 44 P C 0.875 178.156 177.300 -0.030 0.000 1.157 44 P CA 1.391 64.475 63.100 -0.026 0.000 0.863 44 P CB -0.124 31.565 31.700 -0.018 0.000 0.787 45 K N -0.615 119.771 120.400 -0.023 0.000 2.211 45 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 45 K C 1.976 178.557 176.600 -0.032 0.000 1.047 45 K CA 1.390 57.663 56.287 -0.022 0.000 0.935 45 K CB -0.690 31.802 32.500 -0.013 0.000 0.728 45 K HN 0.223 nan 8.250 nan 0.000 0.452 46 M N 0.051 119.627 119.600 -0.041 0.000 2.193 46 M HA -0.139 4.341 4.480 -0.000 0.000 0.265 46 M C 1.177 177.421 176.300 -0.092 0.000 1.071 46 M CA 1.432 56.697 55.300 -0.059 0.000 1.140 46 M CB -0.139 32.427 32.600 -0.057 0.000 1.369 46 M HN -0.043 nan 8.290 nan 0.000 0.423 47 D N 0.346 120.692 120.400 -0.090 0.000 2.144 47 D HA -0.188 4.452 4.640 -0.000 0.000 0.200 47 D C 1.700 177.948 176.300 -0.087 0.000 0.978 47 D CA 1.340 55.274 54.000 -0.110 0.000 0.833 47 D CB -0.287 40.461 40.800 -0.086 0.000 0.961 47 D HN 0.515 nan 8.370 nan 0.000 0.470 48 E N 0.992 121.157 120.200 -0.059 0.000 2.012 48 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 48 E C 1.845 178.419 176.600 -0.043 0.000 1.007 48 E CA 1.104 57.478 56.400 -0.043 0.000 0.816 48 E CB -0.474 29.209 29.700 -0.029 0.000 0.762 48 E HN 0.252 nan 8.360 nan 0.000 0.451 49 L N 0.139 121.337 121.223 -0.042 0.000 2.465 49 L HA -0.011 4.329 4.340 -0.000 0.000 0.224 49 L C 0.615 177.455 176.870 -0.051 0.000 1.145 49 L CA 0.291 55.111 54.840 -0.034 0.000 0.834 49 L CB -0.456 41.589 42.059 -0.024 0.000 0.944 49 L HN 0.336 nan 8.230 nan 0.000 0.451 50 Q N 1.076 120.822 119.800 -0.089 0.000 2.541 50 Q HA -0.128 4.212 4.340 -0.000 0.000 0.257 50 Q C -1.134 174.752 176.000 -0.190 0.000 1.359 50 Q CA 0.708 56.413 55.803 -0.164 0.000 0.725 50 Q CB -0.689 27.964 28.738 -0.140 0.000 0.833 50 Q HN 0.371 nan 8.270 nan 0.000 0.310 51 L N 2.577 123.636 121.223 -0.274 0.000 2.469 51 L HA 0.622 4.962 4.340 -0.000 0.000 0.256 51 L C -0.423 176.252 176.870 -0.325 0.000 1.006 51 L CA -0.894 53.834 54.840 -0.187 0.000 0.832 51 L CB 1.470 43.506 42.059 -0.039 0.000 1.421 51 L HN 0.273 nan 8.230 nan 0.000 0.410 52 F N -0.258 119.689 119.950 -0.005 0.000 2.450 52 F HA 0.492 5.019 4.527 -0.000 0.000 0.328 52 F C 1.146 176.941 175.800 -0.007 0.000 1.068 52 F CA -0.794 57.203 58.000 -0.006 0.000 1.007 52 F CB 0.686 39.682 39.000 -0.006 0.000 1.251 52 F HN 0.304 nan 8.300 nan 0.000 0.492 53 R N 0.912 121.533 120.500 0.203 0.000 2.103 53 R HA -0.088 4.252 4.340 -0.000 0.000 0.242 53 R C 1.950 178.301 176.300 0.085 0.000 1.142 53 R CA 1.384 57.547 56.100 0.105 0.000 0.960 53 R CB -1.350 29.002 30.300 0.086 0.000 0.858 53 R HN 0.871 nan 8.270 nan 0.000 0.439 54 G N 0.193 109.050 108.800 0.095 0.000 2.887 54 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.211 54 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.211 54 G C -0.198 174.726 174.900 0.040 0.000 1.152 54 G CA -0.353 44.773 45.100 0.044 0.000 0.769 54 G HN 0.135 nan 8.290 nan 0.000 0.541 55 D N 0.860 121.312 120.400 0.087 0.000 2.601 55 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 55 D C 0.176 176.492 176.300 0.028 0.000 1.140 55 D CA 1.006 55.050 54.000 0.074 0.000 0.862 55 D CB 1.022 41.903 40.800 0.136 0.000 1.192 55 D HN 0.040 nan 8.370 nan 0.000 0.480 56 T N 1.437 115.994 114.554 0.005 0.000 2.801 56 T HA 0.446 4.796 4.350 -0.000 0.000 0.306 56 T C -0.230 174.440 174.700 -0.051 0.000 1.020 56 T CA -0.839 61.243 62.100 -0.030 0.000 0.948 56 T CB 0.085 68.927 68.868 -0.044 0.000 0.962 56 T HN 0.211 nan 8.240 nan 0.000 0.465 57 V N 4.233 124.116 119.914 -0.053 0.000 2.834 57 V HA 0.841 4.961 4.120 -0.000 0.000 0.313 57 V C -0.430 175.600 176.094 -0.106 0.000 1.060 57 V CA -1.113 61.151 62.300 -0.060 0.000 0.989 57 V CB 1.529 33.337 31.823 -0.026 0.000 1.041 57 V HN 0.790 nan 8.190 nan 0.000 0.459 58 L N 3.411 124.573 121.223 -0.102 0.000 2.317 58 L HA 0.709 5.048 4.340 -0.000 0.000 0.281 58 L C -0.715 176.122 176.870 -0.054 0.000 1.024 58 L CA -0.133 54.637 54.840 -0.116 0.000 0.810 58 L CB 1.161 43.148 42.059 -0.119 0.000 1.240 58 L HN 0.779 nan 8.230 nan 0.000 0.427 59 L N 4.481 125.678 121.223 -0.043 0.000 2.341 59 L HA 0.652 4.991 4.340 -0.000 0.000 0.267 59 L C -0.658 176.208 176.870 -0.006 0.000 1.009 59 L CA -0.945 53.884 54.840 -0.019 0.000 0.819 59 L CB 2.009 44.059 42.059 -0.015 0.000 1.323 59 L HN 0.567 nan 8.230 nan 0.000 0.425 60 K N 0.408 120.808 120.400 0.000 0.000 2.468 60 K HA 0.721 5.041 4.320 -0.000 0.000 0.252 60 K C -0.352 176.251 176.600 0.005 0.000 0.932 60 K CA -0.589 55.702 56.287 0.006 0.000 0.794 60 K CB 2.723 35.229 32.500 0.010 0.000 1.241 60 K HN 0.777 nan 8.250 nan 0.000 0.428 61 G N 1.617 110.421 108.800 0.006 0.000 3.253 61 G HA2 0.347 4.307 3.960 -0.000 0.000 0.175 61 G HA3 0.347 4.307 3.960 -0.000 0.000 0.175 61 G C -0.924 173.978 174.900 0.004 0.000 1.098 61 G CA -0.504 44.599 45.100 0.004 0.000 0.790 61 G HN 0.352 nan 8.290 nan 0.000 0.648 62 K N 0.301 120.702 120.400 0.001 0.000 2.117 62 K HA 0.387 4.707 4.320 -0.000 0.000 0.240 62 K C -0.145 176.457 176.600 0.003 0.000 1.031 62 K CA -0.356 55.931 56.287 -0.000 0.000 0.909 62 K CB 0.460 32.957 32.500 -0.005 0.000 1.097 62 K HN 0.425 nan 8.250 nan 0.000 0.492 63 K N 1.272 121.674 120.400 0.003 0.000 3.012 63 K HA -0.264 4.055 4.320 -0.000 0.000 0.259 63 K C -0.921 175.685 176.600 0.009 0.000 0.989 63 K CA 1.107 57.397 56.287 0.005 0.000 0.728 63 K CB -1.677 30.826 32.500 0.004 0.000 1.260 63 K HN 0.845 nan 8.250 nan 0.000 0.480 64 R N -1.487 119.019 120.500 0.010 0.000 3.092 64 R HA -0.267 4.073 4.340 -0.000 0.000 0.245 64 R C -0.920 175.391 176.300 0.018 0.000 0.881 64 R CA 1.200 57.308 56.100 0.014 0.000 0.614 64 R CB -1.584 28.724 30.300 0.014 0.000 1.128 64 R HN 0.339 nan 8.270 nan 0.000 0.483 65 R N 0.763 121.273 120.500 0.017 0.000 2.854 65 R HA 0.474 4.814 4.340 -0.000 0.000 0.271 65 R C -0.463 175.851 176.300 0.023 0.000 0.994 65 R CA -1.039 55.074 56.100 0.022 0.000 0.945 65 R CB 1.938 32.249 30.300 0.020 0.000 1.194 65 R HN 0.436 nan 8.270 nan 0.000 0.476 66 E N 0.066 120.284 120.200 0.030 0.000 2.392 66 E HA 0.752 5.101 4.350 -0.000 0.000 0.269 66 E C -1.466 175.148 176.600 0.023 0.000 0.924 66 E CA -1.104 55.311 56.400 0.026 0.000 0.784 66 E CB 2.485 32.209 29.700 0.039 0.000 1.292 66 E HN 0.591 nan 8.360 nan 0.000 0.447 67 A N 0.714 123.536 122.820 0.003 0.000 2.532 67 A HA 0.477 4.797 4.320 -0.000 0.000 0.296 67 A C -1.120 176.437 177.584 -0.045 0.000 1.058 67 A CA -0.782 51.254 52.037 -0.002 0.000 0.729 67 A CB 1.071 20.078 19.000 0.011 0.000 1.285 67 A HN 0.406 nan 8.150 nan 0.000 0.396 68 V N -0.503 119.370 119.914 -0.067 0.000 2.394 68 V HA 0.839 4.958 4.120 -0.000 0.000 0.282 68 V C -0.036 176.015 176.094 -0.072 0.000 1.031 68 V CA -0.650 61.569 62.300 -0.135 0.000 0.881 68 V CB -0.019 31.655 31.823 -0.247 0.000 0.982 68 V HN 1.255 nan 8.190 nan 0.000 0.451 69 C N 4.778 124.037 119.300 -0.068 0.000 3.323 69 C HA 0.690 5.150 4.460 -0.000 0.000 0.324 69 C C -0.574 174.397 174.990 -0.032 0.000 1.428 69 C CA -0.834 58.164 59.018 -0.034 0.000 1.368 69 C CB 1.714 29.446 27.740 -0.014 0.000 1.731 69 C HN 0.793 nan 8.230 nan 0.000 0.455 70 I N 1.918 122.479 120.570 -0.015 0.000 2.396 70 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 70 I C 0.113 176.232 176.117 0.002 0.000 0.999 70 I CA -0.051 61.245 61.300 -0.006 0.000 1.310 70 I CB 1.232 39.232 38.000 -0.000 0.000 1.404 70 I HN 0.510 nan 8.210 nan 0.000 0.496 71 V N 7.616 127.536 119.914 0.009 0.000 2.472 71 V HA 0.583 4.703 4.120 -0.000 0.000 0.290 71 V C -0.648 175.458 176.094 0.022 0.000 1.037 71 V CA -0.354 61.954 62.300 0.014 0.000 0.908 71 V CB 1.963 33.795 31.823 0.015 0.000 0.985 71 V HN 0.621 nan 8.190 nan 0.000 0.454 72 L N 5.265 126.498 121.223 0.017 0.000 2.230 72 L HA 0.833 5.173 4.340 -0.000 0.000 0.255 72 L C -0.174 176.704 176.870 0.013 0.000 1.039 72 L CA -0.088 54.764 54.840 0.019 0.000 0.846 72 L CB 2.696 44.765 42.059 0.018 0.000 1.419 72 L HN 0.773 nan 8.230 nan 0.000 0.435 73 S N 0.381 116.088 115.700 0.012 0.000 2.449 73 S HA 0.686 5.156 4.470 -0.000 0.000 0.310 73 S C -1.181 173.423 174.600 0.007 0.000 1.096 73 S CA -0.758 57.445 58.200 0.006 0.000 1.095 73 S CB 1.416 64.618 63.200 0.002 0.000 1.007 73 S HN 0.566 nan 8.310 nan 0.000 0.474 74 D N 0.429 120.832 120.400 0.005 0.000 2.481 74 D HA 0.263 4.903 4.640 -0.000 0.000 0.244 74 D C -0.989 175.314 176.300 0.005 0.000 1.057 74 D CA -0.433 53.572 54.000 0.007 0.000 0.848 74 D CB 2.145 42.951 40.800 0.009 0.000 1.388 74 D HN 0.595 nan 8.370 nan 0.000 0.475 75 D N 1.881 122.284 120.400 0.006 0.000 2.615 75 D HA 0.026 4.665 4.640 -0.000 0.000 0.236 75 D C 0.478 176.781 176.300 0.006 0.000 1.233 75 D CA 0.163 54.166 54.000 0.004 0.000 0.829 75 D CB 0.343 41.145 40.800 0.004 0.000 1.024 75 D HN 0.435 nan 8.370 nan 0.000 0.490 76 T N -2.996 111.563 114.554 0.008 0.000 3.192 76 T HA 0.135 4.485 4.350 -0.000 0.000 0.295 76 T C 0.296 175.003 174.700 0.011 0.000 0.947 76 T CA -0.380 61.726 62.100 0.010 0.000 0.916 76 T CB -0.604 68.271 68.868 0.011 0.000 1.169 76 T HN 0.071 nan 8.240 nan 0.000 0.540 77 C N 4.395 123.700 119.300 0.010 0.000 2.285 77 C HA 0.767 5.227 4.460 -0.000 0.000 0.335 77 C C 0.967 175.962 174.990 0.009 0.000 1.267 77 C CA -0.503 58.521 59.018 0.011 0.000 1.762 77 C CB -0.502 27.243 27.740 0.009 0.000 2.365 77 C HN 0.717 nan 8.230 nan 0.000 0.527 78 S N 4.761 120.468 115.700 0.012 0.000 2.510 78 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 78 S C 0.763 175.367 174.600 0.008 0.000 1.284 78 S CA -0.132 58.074 58.200 0.010 0.000 1.059 78 S CB 0.762 63.970 63.200 0.014 0.000 0.901 78 S HN 0.809 nan 8.310 nan 0.000 0.491 79 D N 2.918 123.321 120.400 0.005 0.000 2.303 79 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 79 D C 1.584 177.886 176.300 0.003 0.000 1.011 79 D CA 2.392 56.393 54.000 0.002 0.000 0.860 79 D CB -0.378 40.422 40.800 -0.001 0.000 0.961 79 D HN 0.892 nan 8.370 nan 0.000 0.453 80 E N -0.030 120.174 120.200 0.006 0.000 2.409 80 E HA -0.037 4.313 4.350 -0.000 0.000 0.198 80 E C 0.369 176.976 176.600 0.012 0.000 1.024 80 E CA 0.621 57.026 56.400 0.008 0.000 0.861 80 E CB 0.183 29.889 29.700 0.011 0.000 0.788 80 E HN 0.305 nan 8.360 nan 0.000 0.521 81 K N 0.650 121.058 120.400 0.013 0.000 2.139 81 K HA 0.515 4.835 4.320 -0.000 0.000 0.243 81 K C -0.494 176.114 176.600 0.013 0.000 0.983 81 K CA -0.714 55.583 56.287 0.016 0.000 0.890 81 K CB 2.054 34.567 32.500 0.021 0.000 1.090 81 K HN -0.053 nan 8.250 nan 0.000 0.445 82 I N 0.939 121.517 120.570 0.014 0.000 2.447 82 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 82 I C -0.882 175.243 176.117 0.014 0.000 1.023 82 I CA -0.772 60.535 61.300 0.011 0.000 1.083 82 I CB 1.199 39.203 38.000 0.008 0.000 1.245 82 I HN 0.500 nan 8.210 nan 0.000 0.434 83 R N 8.221 128.729 120.500 0.014 0.000 2.441 83 R HA 0.732 5.072 4.340 -0.000 0.000 0.284 83 R C -0.588 175.720 176.300 0.013 0.000 1.070 83 R CA -0.263 55.847 56.100 0.016 0.000 1.047 83 R CB 1.324 31.634 30.300 0.017 0.000 1.016 83 R HN 0.794 nan 8.270 nan 0.000 0.477 84 M N -0.623 118.985 119.600 0.013 0.000 2.755 84 M HA 0.330 4.810 4.480 -0.000 0.000 0.276 84 M C -1.705 174.599 176.300 0.007 0.000 1.129 84 M CA -1.030 54.276 55.300 0.010 0.000 0.832 84 M CB 1.530 34.134 32.600 0.007 0.000 1.700 84 M HN 0.238 nan 8.290 nan 0.000 0.518 85 N N 0.954 119.659 118.700 0.008 0.000 2.445 85 N HA 0.292 5.032 4.740 -0.000 0.000 0.264 85 N C 0.046 175.549 175.510 -0.011 0.000 1.227 85 N CA -0.462 52.589 53.050 0.002 0.000 0.963 85 N CB 1.404 39.899 38.487 0.014 0.000 1.188 85 N HN 0.730 nan 8.380 nan 0.000 0.491 86 R N 0.812 121.295 120.500 -0.028 0.000 2.293 86 R HA -0.051 4.289 4.340 -0.000 0.000 0.219 86 R C 1.188 177.471 176.300 -0.028 0.000 1.091 86 R CA 0.580 56.651 56.100 -0.047 0.000 1.004 86 R CB 0.017 30.273 30.300 -0.073 0.000 0.865 86 R HN 0.358 nan 8.270 nan 0.000 0.469 87 V N 0.064 119.975 119.914 -0.004 0.000 2.273 87 V HA -0.202 3.918 4.120 -0.000 0.000 0.242 87 V C 2.412 178.523 176.094 0.029 0.000 1.035 87 V CA 1.624 63.934 62.300 0.018 0.000 1.013 87 V CB -0.234 31.619 31.823 0.050 0.000 0.652 87 V HN 0.332 nan 8.190 nan 0.000 0.452 88 V N -0.263 119.670 119.914 0.031 0.000 2.287 88 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 88 V C 2.448 178.549 176.094 0.013 0.000 1.053 88 V CA 2.468 64.785 62.300 0.029 0.000 1.027 88 V CB -1.079 30.758 31.823 0.023 0.000 0.646 88 V HN 0.470 nan 8.190 nan 0.000 0.447 89 R N 0.718 121.218 120.500 0.000 0.000 2.096 89 R HA -0.220 4.119 4.340 -0.000 0.000 0.240 89 R C 2.393 178.685 176.300 -0.013 0.000 1.139 89 R CA 2.420 58.513 56.100 -0.012 0.000 0.952 89 R CB -0.540 29.743 30.300 -0.028 0.000 0.854 89 R HN 0.739 nan 8.270 nan 0.000 0.436 90 N N 0.081 118.773 118.700 -0.013 0.000 2.084 90 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 90 N C 1.308 176.819 175.510 0.002 0.000 1.030 90 N CA 1.247 54.289 53.050 -0.013 0.000 0.849 90 N CB -0.223 38.254 38.487 -0.018 0.000 1.012 90 N HN 0.339 nan 8.380 nan 0.000 0.423 91 N N 1.251 119.961 118.700 0.017 0.000 2.348 91 N HA -0.099 4.641 4.740 -0.000 0.000 0.185 91 N C 1.422 176.944 175.510 0.020 0.000 1.019 91 N CA 0.588 53.656 53.050 0.029 0.000 0.880 91 N CB -0.106 38.410 38.487 0.048 0.000 0.965 91 N HN 0.339 nan 8.380 nan 0.000 0.437 92 L N 0.470 121.700 121.223 0.011 0.000 2.592 92 L HA 0.185 4.525 4.340 -0.000 0.000 0.227 92 L C 0.077 176.948 176.870 0.002 0.000 1.127 92 L CA -0.049 54.796 54.840 0.007 0.000 0.884 92 L CB 0.150 42.211 42.059 0.003 0.000 1.065 92 L HN -0.026 nan 8.230 nan 0.000 0.457 93 R N 0.306 120.805 120.500 -0.002 0.000 3.336 93 R HA -0.137 4.202 4.340 -0.000 0.000 0.260 93 R C -0.541 175.752 176.300 -0.012 0.000 1.032 93 R CA 0.783 56.879 56.100 -0.007 0.000 0.693 93 R CB -2.571 27.728 30.300 -0.002 0.000 1.134 93 R HN 0.327 nan 8.270 nan 0.000 0.433 94 V N -3.280 116.625 119.914 -0.016 0.000 3.158 94 V HA 0.871 4.990 4.120 -0.000 0.000 0.311 94 V C 0.227 176.302 176.094 -0.032 0.000 1.181 94 V CA -1.294 60.994 62.300 -0.020 0.000 1.054 94 V CB 3.228 35.043 31.823 -0.013 0.000 1.085 94 V HN 0.105 nan 8.190 nan 0.000 0.446 95 R N 0.390 120.871 120.500 -0.032 0.000 2.867 95 R HA 0.652 4.992 4.340 -0.000 0.000 0.268 95 R C -1.275 175.008 176.300 -0.029 0.000 1.014 95 R CA -1.031 55.042 56.100 -0.045 0.000 0.946 95 R CB 1.786 32.060 30.300 -0.042 0.000 1.208 95 R HN 0.750 nan 8.270 nan 0.000 0.477 96 L N 1.033 122.234 121.223 -0.036 0.000 2.540 96 L HA 0.119 4.459 4.340 -0.000 0.000 0.276 96 L C 1.545 178.437 176.870 0.037 0.000 1.212 96 L CA 1.827 56.670 54.840 0.005 0.000 0.893 96 L CB 0.172 42.246 42.059 0.026 0.000 1.138 96 L HN 1.060 nan 8.230 nan 0.000 0.491 97 G N 1.111 109.937 108.800 0.045 0.000 2.238 97 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.217 97 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.217 97 G C 0.230 175.158 174.900 0.046 0.000 0.996 97 G CA -0.121 45.018 45.100 0.064 0.000 0.632 97 G HN 0.569 nan 8.290 nan 0.000 0.503 98 D N -0.038 120.373 120.400 0.019 0.000 2.393 98 D HA 0.498 5.138 4.640 -0.000 0.000 0.246 98 D C 0.947 177.256 176.300 0.015 0.000 1.275 98 D CA 0.657 54.661 54.000 0.007 0.000 0.979 98 D CB 1.366 42.161 40.800 -0.008 0.000 1.101 98 D HN 0.987 nan 8.370 nan 0.000 0.505 99 V N -1.362 118.558 119.914 0.010 0.000 2.581 99 V HA 0.756 4.875 4.120 -0.000 0.000 0.303 99 V C -0.219 175.879 176.094 0.007 0.000 1.041 99 V CA -0.680 61.627 62.300 0.013 0.000 0.907 99 V CB 1.185 33.016 31.823 0.015 0.000 0.994 99 V HN 0.524 nan 8.190 nan 0.000 0.442 100 I N 1.499 122.074 120.570 0.007 0.000 3.074 100 I HA 0.810 4.980 4.170 -0.000 0.000 0.310 100 I C -0.420 175.700 176.117 0.005 0.000 1.153 100 I CA -0.722 60.581 61.300 0.005 0.000 0.993 100 I CB 2.485 40.487 38.000 0.003 0.000 1.237 100 I HN 0.525 nan 8.210 nan 0.000 0.443 101 S N 4.670 120.372 115.700 0.004 0.000 2.498 101 S HA 0.593 5.062 4.470 -0.000 0.000 0.324 101 S C -0.200 174.401 174.600 0.001 0.000 1.071 101 S CA -0.628 57.575 58.200 0.004 0.000 1.113 101 S CB 0.594 63.798 63.200 0.006 0.000 0.976 101 S HN 0.597 nan 8.310 nan 0.000 0.462 102 I N 1.401 121.971 120.570 -0.000 0.000 2.428 102 I HA 0.642 4.812 4.170 -0.000 0.000 0.296 102 I C -0.698 175.418 176.117 -0.002 0.000 0.985 102 I CA -0.657 60.640 61.300 -0.004 0.000 1.260 102 I CB 1.149 39.147 38.000 -0.005 0.000 1.389 102 I HN 0.496 nan 8.210 nan 0.000 0.484 103 Q N 4.788 124.585 119.800 -0.006 0.000 2.268 103 Q HA 0.492 4.832 4.340 -0.000 0.000 0.266 103 Q C -2.857 173.142 176.000 -0.002 0.000 1.006 103 Q CA -2.079 53.724 55.803 0.001 0.000 0.824 103 Q CB 1.786 30.528 28.738 0.007 0.000 1.306 103 Q HN 0.441 nan 8.270 nan 0.000 0.424 104 P HA -0.068 nan 4.420 nan 0.000 0.262 104 P C -0.660 176.650 177.300 0.017 0.000 1.182 104 P CA 0.015 63.128 63.100 0.021 0.000 0.761 104 P CB 0.422 32.148 31.700 0.044 0.000 0.795 105 C N 6.386 125.686 119.300 0.001 0.000 3.188 105 C HA 0.432 4.892 4.460 -0.000 0.000 0.230 105 C C -1.784 173.226 174.990 0.033 0.000 1.239 105 C CA -2.005 57.015 59.018 0.002 0.000 1.494 105 C CB -0.368 27.305 27.740 -0.113 0.000 1.798 105 C HN 0.491 nan 8.230 nan 0.000 0.458 106 P HA 0.058 nan 4.420 nan 0.000 0.241 106 P C 0.330 177.682 177.300 0.087 0.000 1.191 106 P CA 1.072 64.207 63.100 0.059 0.000 0.771 106 P CB -0.007 31.721 31.700 0.045 0.000 0.929 107 D N -1.246 119.233 120.400 0.132 0.000 2.324 107 D HA 0.008 4.648 4.640 -0.000 0.000 0.235 107 D C 0.015 176.443 176.300 0.213 0.000 1.095 107 D CA 0.180 54.270 54.000 0.150 0.000 0.871 107 D CB -0.237 40.654 40.800 0.152 0.000 0.906 107 D HN 0.013 nan 8.370 nan 0.000 0.522 108 V N 1.392 121.467 119.914 0.269 0.000 2.530 108 V HA 0.223 4.342 4.120 -0.000 0.000 0.282 108 V C 0.205 176.420 176.094 0.201 0.000 1.048 108 V CA -0.566 61.927 62.300 0.323 0.000 0.997 108 V CB 0.786 32.774 31.823 0.274 0.000 0.987 108 V HN 0.131 nan 8.190 nan 0.000 0.477 109 K N 4.163 124.666 120.400 0.173 0.000 2.259 109 K HA 0.625 4.945 4.320 -0.000 0.000 0.249 109 K C -1.025 175.729 176.600 0.256 0.000 0.942 109 K CA -0.965 55.444 56.287 0.204 0.000 0.816 109 K CB 0.591 33.150 32.500 0.098 0.000 1.155 109 K HN 0.315 nan 8.250 nan 0.000 0.428 110 Y N 1.292 121.609 120.300 0.029 0.000 2.904 110 Y HA 0.126 4.676 4.550 -0.000 0.000 0.336 110 Y C 1.559 177.462 175.900 0.004 0.000 1.263 110 Y CA 0.614 58.734 58.100 0.035 0.000 1.547 110 Y CB -0.229 38.258 38.460 0.044 0.000 1.272 110 Y HN 0.833 nan 8.280 nan 0.000 0.596 111 G N 3.693 112.542 108.800 0.082 0.000 2.432 111 G HA2 0.098 4.058 3.960 -0.000 0.000 0.239 111 G HA3 0.098 4.058 3.960 -0.000 0.000 0.239 111 G C 0.777 175.684 174.900 0.011 0.000 1.291 111 G CA -0.588 44.517 45.100 0.009 0.000 0.863 111 G HN 0.517 nan 8.290 nan 0.000 0.560 112 K N 1.097 121.486 120.400 -0.017 0.000 2.057 112 K HA 0.067 4.387 4.320 -0.000 0.000 0.209 112 K C 1.425 177.989 176.600 -0.060 0.000 1.028 112 K CA 0.719 56.991 56.287 -0.025 0.000 0.950 112 K CB -0.114 32.366 32.500 -0.034 0.000 0.784 112 K HN 0.757 nan 8.250 nan 0.000 0.448 113 R N -0.216 120.223 120.500 -0.102 0.000 2.828 113 R HA 0.645 4.984 4.340 -0.000 0.000 0.264 113 R C -0.647 175.550 176.300 -0.170 0.000 1.022 113 R CA -0.516 55.480 56.100 -0.173 0.000 1.021 113 R CB 1.072 31.217 30.300 -0.259 0.000 1.163 113 R HN 0.011 nan 8.270 nan 0.000 0.494 114 I N 1.037 121.486 120.570 -0.202 0.000 2.644 114 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 114 I C -1.248 174.822 176.117 -0.079 0.000 1.180 114 I CA -0.634 60.572 61.300 -0.156 0.000 1.040 114 I CB 2.388 40.250 38.000 -0.230 0.000 1.255 114 I HN 0.734 nan 8.210 nan 0.000 0.422 115 H N 6.551 125.536 119.070 -0.141 0.000 2.991 115 H HA 0.583 5.139 4.556 -0.000 0.000 0.304 115 H C -1.626 173.686 175.328 -0.026 0.000 1.040 115 H CA -0.527 55.478 56.048 -0.072 0.000 1.410 115 H CB 1.718 31.450 29.762 -0.051 0.000 1.529 115 H HN 0.433 nan 8.280 nan 0.000 0.509 116 V N 3.231 122.979 119.914 -0.277 0.000 2.919 116 V HA 0.685 4.804 4.120 -0.000 0.000 0.316 116 V C -1.090 174.891 176.094 -0.189 0.000 1.077 116 V CA -0.847 61.355 62.300 -0.165 0.000 0.977 116 V CB 2.575 34.367 31.823 -0.051 0.000 1.039 116 V HN 0.580 nan 8.190 nan 0.000 0.441 117 L N 3.171 124.428 121.223 0.056 0.000 2.431 117 L HA 0.613 4.953 4.340 -0.000 0.000 0.266 117 L C -2.618 174.443 176.870 0.318 0.000 0.978 117 L CA -1.891 53.037 54.840 0.146 0.000 0.822 117 L CB 3.393 45.449 42.059 -0.005 0.000 1.310 117 L HN 0.557 nan 8.230 nan 0.000 0.409 118 P HA 0.100 nan 4.420 nan 0.000 0.275 118 P C -0.791 176.337 177.300 -0.287 0.000 1.227 118 P CA -0.311 62.517 63.100 -0.453 0.000 0.781 118 P CB 0.998 32.409 31.700 -0.482 0.000 0.906 119 I N 4.447 124.794 120.570 -0.370 0.000 2.329 119 I HA -0.050 4.120 4.170 -0.000 0.000 0.295 119 I C 1.927 177.920 176.117 -0.206 0.000 1.109 119 I CA 0.363 61.524 61.300 -0.230 0.000 1.297 119 I CB -0.452 37.412 38.000 -0.227 0.000 1.433 119 I HN 0.574 nan 8.210 nan 0.000 0.509 120 D N 6.151 126.467 120.400 -0.140 0.000 3.048 120 D HA -0.367 4.273 4.640 -0.000 0.000 0.192 120 D C 0.956 177.186 176.300 -0.117 0.000 1.125 120 D CA 2.613 56.547 54.000 -0.110 0.000 0.878 120 D CB -0.503 40.254 40.800 -0.072 0.000 0.924 120 D HN 0.655 nan 8.370 nan 0.000 0.496 121 D N 0.154 120.484 120.400 -0.117 0.000 2.117 121 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 121 D C 2.013 178.231 176.300 -0.137 0.000 0.982 121 D CA 2.343 56.278 54.000 -0.110 0.000 0.828 121 D CB -1.314 39.428 40.800 -0.096 0.000 0.967 121 D HN 0.508 nan 8.370 nan 0.000 0.464 122 T N -1.714 112.727 114.554 -0.189 0.000 3.361 122 T HA 0.131 4.481 4.350 -0.000 0.000 0.251 122 T C 1.402 175.945 174.700 -0.261 0.000 1.131 122 T CA 0.480 62.442 62.100 -0.229 0.000 1.001 122 T CB -0.314 68.376 68.868 -0.298 0.000 1.003 122 T HN 0.271 nan 8.240 nan 0.000 0.558 123 V N -3.481 116.307 119.914 -0.211 0.000 3.480 123 V HA 0.402 4.521 4.120 -0.000 0.000 0.263 123 V C 0.444 176.478 176.094 -0.100 0.000 1.442 123 V CA -0.627 61.562 62.300 -0.184 0.000 1.053 123 V CB -0.254 31.446 31.823 -0.204 0.000 0.846 123 V HN 0.338 nan 8.190 nan 0.000 0.440 124 E N 1.662 121.810 120.200 -0.087 0.000 2.534 124 E HA 0.349 4.699 4.350 -0.000 0.000 0.264 124 E C 1.321 177.897 176.600 -0.040 0.000 0.981 124 E CA 1.261 57.629 56.400 -0.054 0.000 0.948 124 E CB 0.344 30.013 29.700 -0.052 0.000 0.934 124 E HN 0.748 nan 8.360 nan 0.000 0.459 125 G N 2.799 111.585 108.800 -0.023 0.000 2.317 125 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.227 125 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.227 125 G C 0.227 175.127 174.900 0.001 0.000 1.042 125 G CA -0.111 44.982 45.100 -0.012 0.000 0.623 125 G HN 0.480 nan 8.290 nan 0.000 0.509 126 I N 1.911 122.484 120.570 0.005 0.000 2.433 126 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 126 I C -0.136 176.004 176.117 0.037 0.000 1.001 126 I CA -0.632 60.686 61.300 0.030 0.000 1.119 126 I CB 2.261 40.297 38.000 0.061 0.000 1.289 126 I HN 0.074 nan 8.210 nan 0.000 0.438 127 T N 3.298 117.877 114.554 0.041 0.000 2.924 127 T HA 0.873 5.223 4.350 -0.000 0.000 0.291 127 T C 0.069 174.804 174.700 0.059 0.000 1.045 127 T CA -0.466 61.661 62.100 0.046 0.000 1.015 127 T CB 2.163 71.050 68.868 0.031 0.000 1.103 127 T HN 1.062 nan 8.240 nan 0.000 0.496 128 G N 1.396 110.236 108.800 0.068 0.000 2.316 128 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.349 128 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.349 128 G C -1.252 173.711 174.900 0.104 0.000 1.274 128 G CA -1.003 44.140 45.100 0.072 0.000 1.018 128 G HN 0.835 nan 8.290 nan 0.000 0.486 129 N N 1.055 119.818 118.700 0.105 0.000 2.415 129 N HA 0.257 4.997 4.740 -0.000 0.000 0.246 129 N C 1.600 177.235 175.510 0.207 0.000 1.078 129 N CA -0.326 52.814 53.050 0.149 0.000 0.942 129 N CB 0.357 38.915 38.487 0.119 0.000 1.140 129 N HN 0.493 nan 8.380 nan 0.000 0.501 130 L N 3.192 124.595 121.223 0.301 0.000 2.395 130 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 130 L C 1.946 179.131 176.870 0.524 0.000 1.130 130 L CA 0.233 55.358 54.840 0.475 0.000 0.826 130 L CB -0.514 41.865 42.059 0.533 0.000 0.941 130 L HN 0.455 nan 8.230 nan 0.000 0.451 131 F N 1.811 121.881 119.950 0.200 0.000 2.128 131 F HA -0.095 4.431 4.527 -0.000 0.000 0.295 131 F C 2.546 178.419 175.800 0.122 0.000 1.100 131 F CA 1.441 59.527 58.000 0.144 0.000 1.260 131 F CB -0.256 38.797 39.000 0.088 0.000 1.009 131 F HN 0.030 nan 8.300 nan 0.000 0.476 132 E N 0.351 120.613 120.200 0.104 0.000 2.072 132 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 132 E C 2.344 178.926 176.600 -0.031 0.000 0.985 132 E CA 1.821 58.170 56.400 -0.084 0.000 0.801 132 E CB -0.559 29.094 29.700 -0.078 0.000 0.750 132 E HN 0.418 nan 8.360 nan 0.000 0.452 133 V N -1.805 118.094 119.914 -0.026 0.000 2.591 133 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 133 V C 1.649 177.561 176.094 -0.304 0.000 1.053 133 V CA 1.172 63.344 62.300 -0.212 0.000 1.068 133 V CB -0.656 30.947 31.823 -0.367 0.000 0.689 133 V HN 0.042 nan 8.190 nan 0.000 0.462 134 Y N -0.549 119.873 120.300 0.204 0.000 2.763 134 Y HA 0.433 4.983 4.550 -0.000 0.000 0.230 134 Y C 2.310 178.404 175.900 0.323 0.000 1.030 134 Y CA 0.085 58.328 58.100 0.239 0.000 1.462 134 Y CB -0.731 37.909 38.460 0.300 0.000 1.299 134 Y HN -0.097 nan 8.280 nan 0.000 0.491 135 L N 0.903 122.498 121.223 0.620 0.000 2.034 135 L HA -0.287 4.053 4.340 -0.000 0.000 0.217 135 L C 2.026 179.316 176.870 0.701 0.000 1.077 135 L CA 1.915 57.173 54.840 0.697 0.000 0.769 135 L CB -1.465 40.940 42.059 0.576 0.000 0.890 135 L HN 0.321 nan 8.230 nan 0.000 0.435 136 K N -0.013 120.693 120.400 0.510 0.000 1.965 136 K HA -0.157 4.162 4.320 -0.000 0.000 0.218 136 K C 0.416 177.131 176.600 0.192 0.000 1.048 136 K CA 1.438 57.865 56.287 0.233 0.000 0.960 136 K CB -1.823 30.638 32.500 -0.065 0.000 0.732 136 K HN 0.260 nan 8.250 nan 0.000 0.444 137 P HA -0.190 nan 4.420 nan 0.000 0.216 137 P C 1.474 178.859 177.300 0.141 0.000 1.154 137 P CA 1.244 64.407 63.100 0.104 0.000 0.865 137 P CB -0.166 31.580 31.700 0.078 0.000 0.789 138 Y N -0.458 119.870 120.300 0.046 0.000 2.049 138 Y HA -0.215 4.334 4.550 -0.000 0.000 0.277 138 Y C 1.996 177.791 175.900 -0.174 0.000 1.143 138 Y CA 1.623 59.671 58.100 -0.086 0.000 1.115 138 Y CB -1.226 37.145 38.460 -0.148 0.000 0.975 138 Y HN -0.153 nan 8.280 nan 0.000 0.487 139 F N -0.176 119.717 119.950 -0.096 0.000 2.456 139 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 139 F C 0.810 176.484 175.800 -0.211 0.000 1.104 139 F CA 0.021 57.856 58.000 -0.274 0.000 1.435 139 F CB -0.772 38.138 39.000 -0.151 0.000 1.078 139 F HN -0.057 nan 8.300 nan 0.000 0.546 140 L N 2.688 123.943 121.223 0.053 0.000 2.841 140 L HA -0.164 4.176 4.340 -0.000 0.000 0.282 140 L C 0.724 177.536 176.870 -0.096 0.000 1.130 140 L CA -0.084 54.743 54.840 -0.022 0.000 0.996 140 L CB -0.787 41.272 42.059 -0.000 0.000 1.364 140 L HN 0.245 nan 8.230 nan 0.000 0.466 141 E N 3.026 123.111 120.200 -0.192 0.000 2.183 141 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 141 E C 0.658 177.152 176.600 -0.176 0.000 1.364 141 E CA 0.888 57.133 56.400 -0.257 0.000 0.700 141 E CB -1.330 28.330 29.700 -0.067 0.000 1.106 141 E HN 0.787 nan 8.360 nan 0.000 0.347 142 A N -0.563 122.100 122.820 -0.263 0.000 2.026 142 A HA 0.229 4.549 4.320 -0.000 0.000 0.198 142 A C 0.415 178.003 177.584 0.007 0.000 1.390 142 A CA 0.520 52.495 52.037 -0.103 0.000 0.915 142 A CB 0.244 19.140 19.000 -0.174 0.000 0.974 142 A HN 0.333 nan 8.150 nan 0.000 0.477 143 Y N 0.089 120.344 120.300 -0.074 0.000 3.689 143 Y HA -0.206 4.343 4.550 -0.000 0.000 0.221 143 Y C 0.349 176.179 175.900 -0.116 0.000 1.247 143 Y CA 0.495 58.513 58.100 -0.136 0.000 1.671 143 Y CB -2.256 36.108 38.460 -0.159 0.000 1.521 143 Y HN 0.409 nan 8.280 nan 0.000 0.632 144 R N 2.125 122.628 120.500 0.006 0.000 2.458 144 R HA 0.103 4.443 4.340 -0.000 0.000 0.303 144 R C -2.240 174.062 176.300 0.004 0.000 1.013 144 R CA -1.155 54.945 56.100 0.001 0.000 1.026 144 R CB 0.136 30.426 30.300 -0.017 0.000 0.948 144 R HN 0.092 nan 8.270 nan 0.000 0.417 145 P HA 0.070 nan 4.420 nan 0.000 0.282 145 P C -0.488 176.810 177.300 -0.003 0.000 1.274 145 P CA 0.107 63.196 63.100 -0.018 0.000 0.770 145 P CB 0.634 32.308 31.700 -0.042 0.000 0.867 146 I N 2.357 122.933 120.570 0.010 0.000 2.569 146 I HA 0.652 4.822 4.170 -0.000 0.000 0.296 146 I C -0.875 175.284 176.117 0.069 0.000 1.028 146 I CA -1.283 60.032 61.300 0.024 0.000 1.082 146 I CB 2.832 40.824 38.000 -0.014 0.000 1.264 146 I HN 0.138 nan 8.210 nan 0.000 0.429 147 R N 5.551 126.099 120.500 0.079 0.000 2.711 147 R HA 0.391 4.731 4.340 -0.000 0.000 0.284 147 R C -0.925 175.432 176.300 0.096 0.000 0.968 147 R CA -0.750 55.424 56.100 0.122 0.000 0.924 147 R CB 1.886 32.253 30.300 0.112 0.000 1.162 147 R HN 0.851 nan 8.270 nan 0.000 0.465 148 K N 1.144 121.599 120.400 0.091 0.000 2.489 148 K HA 0.055 4.375 4.320 -0.000 0.000 0.278 148 K C 0.460 177.105 176.600 0.076 0.000 1.000 148 K CA 1.660 57.990 56.287 0.072 0.000 1.012 148 K CB 0.179 32.711 32.500 0.055 0.000 0.903 148 K HN 0.826 nan 8.250 nan 0.000 0.485 149 G N 3.354 112.202 108.800 0.080 0.000 2.284 149 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.230 149 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.230 149 G C -0.115 174.842 174.900 0.095 0.000 1.021 149 G CA 0.241 45.387 45.100 0.077 0.000 0.619 149 G HN 0.737 nan 8.290 nan 0.000 0.510 150 D N 0.521 120.989 120.400 0.113 0.000 2.383 150 D HA 0.425 5.065 4.640 -0.000 0.000 0.233 150 D C 0.821 177.242 176.300 0.201 0.000 1.233 150 D CA 0.857 54.943 54.000 0.143 0.000 0.881 150 D CB 0.432 41.325 40.800 0.155 0.000 1.212 150 D HN 0.459 nan 8.370 nan 0.000 0.467 151 I N 1.587 122.278 120.570 0.201 0.000 2.500 151 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 151 I C -0.719 175.537 176.117 0.232 0.000 1.063 151 I CA -0.938 60.474 61.300 0.187 0.000 1.062 151 I CB 0.735 38.766 38.000 0.052 0.000 1.223 151 I HN 0.209 nan 8.210 nan 0.000 0.435 152 F N 5.849 125.830 119.950 0.052 0.000 2.572 152 F HA 0.878 5.405 4.527 -0.000 0.000 0.342 152 F C -1.293 174.446 175.800 -0.101 0.000 1.064 152 F CA -1.775 56.225 58.000 -0.000 0.000 1.008 152 F CB 0.801 39.833 39.000 0.054 0.000 1.303 152 F HN 0.232 nan 8.300 nan 0.000 0.492 153 L N 1.524 122.645 121.223 -0.170 0.000 2.362 153 L HA 0.767 5.107 4.340 -0.000 0.000 0.275 153 L C -1.406 175.240 176.870 -0.373 0.000 0.998 153 L CA -0.700 53.951 54.840 -0.315 0.000 0.820 153 L CB 2.075 44.030 42.059 -0.174 0.000 1.270 153 L HN 0.600 nan 8.230 nan 0.000 0.415 154 V N 4.280 123.963 119.914 -0.384 0.000 2.443 154 V HA 0.549 4.669 4.120 -0.000 0.000 0.293 154 V C -0.142 175.918 176.094 -0.058 0.000 1.021 154 V CA -0.765 61.389 62.300 -0.243 0.000 0.848 154 V CB 1.261 33.013 31.823 -0.117 0.000 0.998 154 V HN 0.629 nan 8.190 nan 0.000 0.424 155 R N 3.276 123.794 120.500 0.030 0.000 2.196 155 R HA 0.709 5.048 4.340 -0.000 0.000 0.340 155 R C 0.371 176.779 176.300 0.180 0.000 1.043 155 R CA -0.097 56.051 56.100 0.081 0.000 0.883 155 R CB 1.484 31.806 30.300 0.036 0.000 1.078 155 R HN 0.992 nan 8.270 nan 0.000 0.462 156 G N -0.451 108.526 108.800 0.294 0.000 2.547 156 G HA2 0.401 4.361 3.960 -0.000 0.000 0.291 156 G HA3 0.401 4.361 3.960 -0.000 0.000 0.291 156 G C 0.106 175.113 174.900 0.179 0.000 1.471 156 G CA -0.162 45.050 45.100 0.187 0.000 0.798 156 G HN 0.592 nan 8.290 nan 0.000 0.504 157 G N -0.184 108.629 108.800 0.022 0.000 2.179 157 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.257 157 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.257 157 G C 0.812 175.753 174.900 0.069 0.000 1.010 157 G CA 0.864 45.986 45.100 0.036 0.000 0.736 157 G HN 1.876 nan 8.290 nan 0.000 0.513 158 M N -2.131 117.508 119.600 0.065 0.000 2.981 158 M HA -0.214 4.266 4.480 -0.000 0.000 0.176 158 M C 0.555 176.887 176.300 0.053 0.000 1.201 158 M CA 1.875 57.208 55.300 0.055 0.000 0.743 158 M CB -1.400 31.225 32.600 0.041 0.000 1.223 158 M HN 1.530 nan 8.290 nan 0.000 0.747 159 R N -1.276 119.259 120.500 0.058 0.000 3.452 159 R HA 0.752 5.091 4.340 -0.000 0.000 0.279 159 R C -1.969 174.335 176.300 0.007 0.000 0.955 159 R CA -0.584 55.529 56.100 0.020 0.000 0.835 159 R CB 0.452 30.758 30.300 0.010 0.000 1.357 159 R HN 0.563 nan 8.270 nan 0.000 0.536 160 A N 1.208 123.983 122.820 -0.075 0.000 2.343 160 A HA 0.721 5.040 4.320 -0.000 0.000 0.316 160 A C -0.844 176.567 177.584 -0.289 0.000 1.104 160 A CA -0.788 51.160 52.037 -0.148 0.000 0.768 160 A CB 1.889 20.812 19.000 -0.129 0.000 1.213 160 A HN 0.405 nan 8.150 nan 0.000 0.456 161 V N 2.426 122.050 119.914 -0.483 0.000 2.483 161 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 161 V C -0.053 175.632 176.094 -0.683 0.000 1.035 161 V CA -0.497 61.404 62.300 -0.664 0.000 0.896 161 V CB 1.577 32.785 31.823 -1.025 0.000 0.986 161 V HN 0.959 nan 8.190 nan 0.000 0.447 162 E N 3.593 123.408 120.200 -0.641 0.000 2.134 162 E HA 0.497 4.847 4.350 -0.000 0.000 0.278 162 E C -1.435 174.733 176.600 -0.720 0.000 0.959 162 E CA -0.282 55.767 56.400 -0.585 0.000 0.783 162 E CB 1.486 30.968 29.700 -0.363 0.000 1.095 162 E HN 0.462 nan 8.360 nan 0.000 0.399 163 F N 1.991 121.493 119.950 -0.746 0.000 2.507 163 F HA 0.387 4.913 4.527 -0.000 0.000 0.327 163 F C 0.209 175.863 175.800 -0.244 0.000 1.068 163 F CA -0.861 56.798 58.000 -0.568 0.000 0.965 163 F CB 1.662 40.181 39.000 -0.802 0.000 1.192 163 F HN 0.189 nan 8.300 nan 0.000 0.476 164 K N 1.576 122.106 120.400 0.217 0.000 2.376 164 K HA 0.624 4.944 4.320 -0.000 0.000 0.257 164 K C -1.753 174.975 176.600 0.214 0.000 0.939 164 K CA -0.546 55.856 56.287 0.193 0.000 0.809 164 K CB 1.526 34.076 32.500 0.082 0.000 1.121 164 K HN 0.408 nan 8.250 nan 0.000 0.425 165 V N 5.690 125.737 119.914 0.222 0.000 2.421 165 V HA 0.014 4.133 4.120 -0.000 0.000 0.271 165 V C 0.723 176.869 176.094 0.087 0.000 1.031 165 V CA -0.128 62.256 62.300 0.141 0.000 1.032 165 V CB 0.934 32.831 31.823 0.123 0.000 1.009 165 V HN 0.755 nan 8.190 nan 0.000 0.477 166 V N 3.500 123.448 119.914 0.058 0.000 3.590 166 V HA 0.250 4.370 4.120 -0.000 0.000 0.265 166 V C 0.420 176.578 176.094 0.108 0.000 1.239 166 V CA 0.570 62.919 62.300 0.081 0.000 1.117 166 V CB -0.086 31.784 31.823 0.079 0.000 0.818 166 V HN 0.965 nan 8.190 nan 0.000 0.451 167 E N -0.019 120.234 120.200 0.090 0.000 2.650 167 E HA 0.293 4.643 4.350 -0.000 0.000 0.297 167 E C -0.834 175.775 176.600 0.016 0.000 1.131 167 E CA -0.114 56.320 56.400 0.057 0.000 0.913 167 E CB 1.013 30.750 29.700 0.061 0.000 1.181 167 E HN 0.205 nan 8.360 nan 0.000 0.440 168 T N 1.010 115.556 114.554 -0.015 0.000 2.848 168 T HA 0.390 4.739 4.350 -0.000 0.000 0.285 168 T C 0.541 175.206 174.700 -0.058 0.000 0.995 168 T CA -0.687 61.385 62.100 -0.047 0.000 0.970 168 T CB 1.688 70.533 68.868 -0.038 0.000 0.976 168 T HN 0.325 nan 8.240 nan 0.000 0.441 169 D N 2.339 122.691 120.400 -0.079 0.000 2.106 169 D HA -0.047 4.593 4.640 -0.000 0.000 0.191 169 D C -1.356 174.904 176.300 -0.066 0.000 0.997 169 D CA 0.875 54.828 54.000 -0.077 0.000 0.834 169 D CB -1.125 39.625 40.800 -0.083 0.000 0.956 169 D HN 0.471 nan 8.370 nan 0.000 0.448 170 P HA 0.144 nan 4.420 nan 0.000 0.237 170 P C -0.885 176.349 177.300 -0.111 0.000 1.788 170 P CA -0.054 63.000 63.100 -0.076 0.000 1.061 170 P CB 0.442 32.111 31.700 -0.052 0.000 1.967 171 S N 3.053 118.692 115.700 -0.101 0.000 2.562 171 S HA 0.130 4.600 4.470 -0.000 0.000 0.281 171 S C -0.451 174.038 174.600 -0.185 0.000 1.333 171 S CA -0.856 57.282 58.200 -0.104 0.000 1.052 171 S CB 0.226 63.387 63.200 -0.066 0.000 0.884 171 S HN 0.342 nan 8.310 nan 0.000 0.506 172 P HA 0.079 nan 4.420 nan 0.000 0.220 172 P C -0.361 176.933 177.300 -0.009 0.000 1.154 172 P CA 0.769 63.825 63.100 -0.074 0.000 0.830 172 P CB 0.096 31.797 31.700 0.002 0.000 0.803 173 Y N 0.460 120.759 120.300 -0.003 0.000 2.549 173 Y HA 0.661 5.211 4.550 -0.000 0.000 0.339 173 Y C -0.302 175.589 175.900 -0.014 0.000 1.053 173 Y CA -2.141 55.953 58.100 -0.008 0.000 1.105 173 Y CB 0.797 39.256 38.460 -0.001 0.000 1.258 173 Y HN 0.156 nan 8.280 nan 0.000 0.478 174 C N 1.321 120.751 119.300 0.216 0.000 3.307 174 C HA 0.737 5.197 4.460 -0.000 0.000 0.333 174 C C -1.036 173.986 174.990 0.052 0.000 1.291 174 C CA -1.257 57.831 59.018 0.117 0.000 1.273 174 C CB 0.628 28.378 27.740 0.017 0.000 1.580 174 C HN 1.037 nan 8.230 nan 0.000 0.481 175 I N 2.114 122.682 120.570 -0.003 0.000 2.396 175 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 175 I C 0.124 176.147 176.117 -0.157 0.000 0.999 175 I CA -0.464 60.779 61.300 -0.096 0.000 1.310 175 I CB 1.785 39.668 38.000 -0.195 0.000 1.404 175 I HN 0.587 nan 8.210 nan 0.000 0.496 176 V N 6.948 126.750 119.914 -0.188 0.000 2.364 176 V HA 0.168 4.287 4.120 -0.000 0.000 0.252 176 V C 0.787 176.726 176.094 -0.259 0.000 1.075 176 V CA -0.183 61.947 62.300 -0.284 0.000 1.033 176 V CB -0.053 31.481 31.823 -0.482 0.000 1.116 176 V HN 0.805 nan 8.190 nan 0.000 0.488 177 A N 8.201 130.910 122.820 -0.185 0.000 2.279 177 A HA 0.707 5.027 4.320 -0.000 0.000 0.303 177 A C -0.843 176.684 177.584 -0.094 0.000 1.108 177 A CA -1.674 50.297 52.037 -0.110 0.000 0.830 177 A CB 0.610 19.717 19.000 0.179 0.000 1.106 177 A HN 0.580 nan 8.150 nan 0.000 0.493 178 P HA -0.133 nan 4.420 nan 0.000 0.229 178 P C -0.239 177.078 177.300 0.028 0.000 1.150 178 P CA 1.366 64.435 63.100 -0.051 0.000 0.765 178 P CB 0.109 31.800 31.700 -0.015 0.000 0.783 179 D N -1.377 119.072 120.400 0.082 0.000 2.301 179 D HA -0.013 4.627 4.640 -0.000 0.000 0.206 179 D C 0.553 176.884 176.300 0.052 0.000 0.979 179 D CA 0.580 54.629 54.000 0.081 0.000 0.874 179 D CB -0.974 39.898 40.800 0.120 0.000 0.968 179 D HN 0.058 nan 8.370 nan 0.000 0.510 180 T N 1.305 115.879 114.554 0.033 0.000 2.934 180 T HA 0.126 4.476 4.350 -0.000 0.000 0.306 180 T C 0.233 174.926 174.700 -0.012 0.000 1.042 180 T CA -0.228 61.865 62.100 -0.011 0.000 1.145 180 T CB 1.406 70.230 68.868 -0.075 0.000 0.982 180 T HN -0.137 nan 8.240 nan 0.000 0.544 181 V N 4.566 124.473 119.914 -0.011 0.000 2.785 181 V HA 0.546 4.665 4.120 -0.000 0.000 0.300 181 V C -0.333 175.752 176.094 -0.014 0.000 1.062 181 V CA -0.617 61.703 62.300 0.035 0.000 1.029 181 V CB 0.826 32.683 31.823 0.057 0.000 1.024 181 V HN 0.796 nan 8.190 nan 0.000 0.477 182 I N 6.514 127.111 120.570 0.044 0.000 2.521 182 I HA 0.398 4.568 4.170 -0.000 0.000 0.277 182 I C -0.078 175.958 176.117 -0.135 0.000 1.054 182 I CA -0.356 60.861 61.300 -0.139 0.000 1.117 182 I CB 0.745 38.556 38.000 -0.314 0.000 1.217 182 I HN 0.667 nan 8.210 nan 0.000 0.469 183 H N 3.803 122.779 119.070 -0.157 0.000 2.690 183 H HA 0.222 4.777 4.556 -0.000 0.000 0.365 183 H C -0.231 175.012 175.328 -0.141 0.000 1.142 183 H CA -0.319 55.695 56.048 -0.056 0.000 1.417 183 H CB 2.078 31.926 29.762 0.143 0.000 1.446 183 H HN 0.558 nan 8.280 nan 0.000 0.599 184 C N 4.143 123.438 119.300 -0.009 0.000 3.482 184 C HA 0.108 4.567 4.460 -0.000 0.000 0.208 184 C C 0.078 175.084 174.990 0.026 0.000 1.306 184 C CA -0.631 58.337 59.018 -0.083 0.000 1.254 184 C CB -1.431 26.198 27.740 -0.185 0.000 1.832 184 C HN 0.849 nan 8.230 nan 0.000 0.554 185 E N 0.757 121.020 120.200 0.106 0.000 2.458 185 E HA 0.290 4.640 4.350 -0.000 0.000 0.264 185 E C 1.467 178.116 176.600 0.081 0.000 1.097 185 E CA 1.160 57.637 56.400 0.128 0.000 0.973 185 E CB 0.783 30.634 29.700 0.252 0.000 0.963 185 E HN 0.660 nan 8.360 nan 0.000 0.451 186 G N 2.245 111.087 108.800 0.071 0.000 2.882 186 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.206 186 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.206 186 G C -0.077 174.852 174.900 0.048 0.000 1.155 186 G CA 0.277 45.412 45.100 0.058 0.000 0.800 186 G HN 0.414 nan 8.290 nan 0.000 0.524 187 E N 0.425 120.653 120.200 0.046 0.000 2.224 187 E HA 0.380 4.730 4.350 -0.000 0.000 0.265 187 E C -2.387 174.225 176.600 0.020 0.000 0.878 187 E CA -2.157 54.261 56.400 0.029 0.000 0.759 187 E CB 2.755 32.471 29.700 0.027 0.000 1.164 187 E HN -0.046 nan 8.360 nan 0.000 0.414 188 P HA 0.154 nan 4.420 nan 0.000 0.272 188 P C -0.313 176.971 177.300 -0.027 0.000 1.223 188 P CA -0.212 62.870 63.100 -0.029 0.000 0.784 188 P CB 0.679 32.343 31.700 -0.059 0.000 0.923 189 I N -1.695 118.852 120.570 -0.038 0.000 2.676 189 I HA 0.552 4.722 4.170 -0.000 0.000 0.309 189 I C 0.484 176.576 176.117 -0.042 0.000 0.990 189 I CA -1.424 59.860 61.300 -0.027 0.000 1.168 189 I CB 1.217 39.208 38.000 -0.015 0.000 1.343 189 I HN 0.112 nan 8.210 nan 0.000 0.482 190 K N 2.578 122.961 120.400 -0.029 0.000 2.156 190 K HA 0.161 4.481 4.320 -0.000 0.000 0.242 190 K C -0.240 176.337 176.600 -0.039 0.000 1.033 190 K CA -0.165 56.102 56.287 -0.032 0.000 0.878 190 K CB 0.536 33.025 32.500 -0.020 0.000 1.057 190 K HN 0.696 nan 8.250 nan 0.000 0.505 191 R N 1.589 122.065 120.500 -0.039 0.000 2.229 191 R HA 0.154 4.494 4.340 -0.000 0.000 0.332 191 R C -1.019 175.265 176.300 -0.027 0.000 0.989 191 R CA -0.028 56.047 56.100 -0.041 0.000 0.842 191 R CB 0.693 30.964 30.300 -0.048 0.000 1.119 191 R HN 0.614 nan 8.270 nan 0.000 0.456 192 E N 3.664 123.851 120.200 -0.022 0.000 2.130 192 E HA 0.069 4.419 4.350 -0.000 0.000 0.284 192 E C -0.617 175.975 176.600 -0.014 0.000 1.018 192 E CA -0.392 56.000 56.400 -0.013 0.000 0.817 192 E CB 1.164 30.860 29.700 -0.007 0.000 1.078 192 E HN 0.550 nan 8.360 nan 0.000 0.396 193 D N 2.771 123.165 120.400 -0.011 0.000 2.494 193 D HA -0.038 4.602 4.640 -0.000 0.000 0.249 193 D C 0.601 176.898 176.300 -0.005 0.000 1.223 193 D CA 0.573 54.567 54.000 -0.010 0.000 0.865 193 D CB 0.164 40.961 40.800 -0.005 0.000 0.974 193 D HN 0.500 nan 8.370 nan 0.000 0.491 194 E N 0.055 120.251 120.200 -0.006 0.000 2.460 194 E HA 0.019 4.369 4.350 -0.000 0.000 0.200 194 E C -0.124 176.471 176.600 -0.008 0.000 1.011 194 E CA 0.186 56.584 56.400 -0.003 0.000 0.912 194 E CB 0.689 30.389 29.700 -0.001 0.000 0.953 194 E HN 0.275 nan 8.360 nan 0.000 0.494 195 E N 0.653 120.845 120.200 -0.013 0.000 2.191 195 E HA 0.232 4.582 4.350 -0.000 0.000 0.274 195 E C -1.070 175.512 176.600 -0.030 0.000 0.948 195 E CA -0.241 56.147 56.400 -0.020 0.000 0.802 195 E CB 1.970 31.657 29.700 -0.021 0.000 1.137 195 E HN -0.027 nan 8.360 nan 0.000 0.397 196 E N 0.942 121.120 120.200 -0.037 0.000 2.179 196 E HA 0.251 4.601 4.350 -0.000 0.000 0.275 196 E C -0.677 175.886 176.600 -0.063 0.000 0.945 196 E CA -0.569 55.802 56.400 -0.048 0.000 0.792 196 E CB 1.592 31.261 29.700 -0.050 0.000 1.125 196 E HN 0.438 nan 8.360 nan 0.000 0.397 197 S N 2.835 118.491 115.700 -0.073 0.000 2.584 197 S HA 0.084 4.554 4.470 -0.000 0.000 0.270 197 S C 0.603 175.148 174.600 -0.092 0.000 1.346 197 S CA -0.279 57.868 58.200 -0.089 0.000 1.018 197 S CB 0.428 63.572 63.200 -0.094 0.000 0.899 197 S HN 0.588 nan 8.310 nan 0.000 0.542 198 L N 2.249 123.411 121.223 -0.102 0.000 2.700 198 L HA 0.266 4.606 4.340 -0.000 0.000 0.234 198 L C 1.630 178.440 176.870 -0.101 0.000 1.156 198 L CA 0.001 54.783 54.840 -0.098 0.000 0.946 198 L CB -0.464 41.538 42.059 -0.096 0.000 1.216 198 L HN 0.793 nan 8.230 nan 0.000 0.493 199 N N -0.049 118.589 118.700 -0.103 0.000 2.336 199 N HA -0.013 4.727 4.740 -0.000 0.000 0.189 199 N C 0.282 175.736 175.510 -0.094 0.000 1.113 199 N CA 0.167 53.159 53.050 -0.097 0.000 0.858 199 N CB 0.514 38.942 38.487 -0.098 0.000 0.970 199 N HN 0.218 nan 8.380 nan 0.000 0.471 200 E N -0.042 120.098 120.200 -0.101 0.000 2.248 200 E HA 0.163 4.513 4.350 -0.000 0.000 0.272 200 E C -0.366 176.162 176.600 -0.120 0.000 1.008 200 E CA -0.866 55.466 56.400 -0.113 0.000 0.856 200 E CB 2.285 31.915 29.700 -0.118 0.000 1.120 200 E HN -0.109 nan 8.360 nan 0.000 0.397 201 V N 1.841 121.673 119.914 -0.137 0.000 2.557 201 V HA 0.177 4.297 4.120 -0.000 0.000 0.301 201 V C 0.747 176.769 176.094 -0.120 0.000 1.026 201 V CA 0.516 62.740 62.300 -0.126 0.000 1.137 201 V CB 0.322 32.052 31.823 -0.154 0.000 0.917 201 V HN 0.771 nan 8.190 nan 0.000 0.484 202 G N 2.673 111.421 108.800 -0.087 0.000 2.714 202 G HA2 0.493 4.453 3.960 -0.000 0.000 0.292 202 G HA3 0.493 4.453 3.960 -0.000 0.000 0.292 202 G C -0.172 174.753 174.900 0.042 0.000 1.308 202 G CA -0.462 44.576 45.100 -0.102 0.000 0.964 202 G HN 0.424 nan 8.290 nan 0.000 0.484 203 Y N 0.249 120.514 120.300 -0.059 0.000 2.274 203 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 203 Y C 2.623 178.495 175.900 -0.046 0.000 1.145 203 Y CA 1.293 59.364 58.100 -0.048 0.000 1.203 203 Y CB -0.616 37.826 38.460 -0.030 0.000 0.984 203 Y HN 0.739 nan 8.280 nan 0.000 0.533 204 D N -1.006 119.453 120.400 0.098 0.000 2.311 204 D HA -0.164 4.476 4.640 -0.000 0.000 0.212 204 D C 1.008 177.305 176.300 -0.006 0.000 0.972 204 D CA 1.445 55.465 54.000 0.033 0.000 0.887 204 D CB -0.241 40.558 40.800 -0.001 0.000 0.915 204 D HN 0.191 nan 8.370 nan 0.000 0.497 205 D N 0.181 120.571 120.400 -0.016 0.000 2.289 205 D HA 0.006 4.646 4.640 -0.000 0.000 0.207 205 D C 0.267 176.543 176.300 -0.039 0.000 0.966 205 D CA 0.264 54.226 54.000 -0.063 0.000 0.868 205 D CB 0.350 41.104 40.800 -0.076 0.000 0.943 205 D HN 0.178 nan 8.370 nan 0.000 0.514 206 V N 1.119 121.034 119.914 0.001 0.000 2.432 206 V HA 0.557 4.677 4.120 -0.000 0.000 0.271 206 V C 0.813 176.908 176.094 0.002 0.000 1.046 206 V CA -0.532 61.768 62.300 -0.000 0.000 0.945 206 V CB 1.194 33.011 31.823 -0.010 0.000 0.992 206 V HN 0.013 nan 8.190 nan 0.000 0.471 207 G N 2.322 111.128 108.800 0.009 0.000 2.495 207 G HA2 0.582 4.541 3.960 -0.000 0.000 0.318 207 G HA3 0.582 4.541 3.960 -0.000 0.000 0.318 207 G C 0.685 175.596 174.900 0.019 0.000 1.257 207 G CA 0.007 45.116 45.100 0.014 0.000 0.962 207 G HN 1.398 nan 8.290 nan 0.000 0.483 208 G N -0.567 108.242 108.800 0.015 0.000 2.205 208 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.261 208 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.261 208 G C 0.592 175.497 174.900 0.008 0.000 0.980 208 G CA 0.581 45.691 45.100 0.016 0.000 0.632 208 G HN 1.271 nan 8.290 nan 0.000 0.533 209 C N 2.926 122.225 119.300 -0.002 0.000 2.364 209 C HA 0.502 4.962 4.460 -0.000 0.000 0.405 209 C C 1.867 176.841 174.990 -0.027 0.000 1.122 209 C CA -0.506 58.504 59.018 -0.013 0.000 1.601 209 C CB -1.001 26.725 27.740 -0.024 0.000 1.601 209 C HN 0.575 nan 8.230 nan 0.000 0.509 210 R N 1.450 121.940 120.500 -0.016 0.000 2.040 210 R HA 0.074 4.413 4.340 -0.000 0.000 0.219 210 R C 1.742 178.027 176.300 -0.024 0.000 1.216 210 R CA 0.487 56.575 56.100 -0.020 0.000 0.952 210 R CB -0.448 29.849 30.300 -0.006 0.000 0.833 210 R HN 0.344 nan 8.270 nan 0.000 0.456 211 K N 0.898 121.292 120.400 -0.011 0.000 2.173 211 K HA -0.160 4.159 4.320 -0.000 0.000 0.207 211 K C 2.135 178.728 176.600 -0.012 0.000 1.046 211 K CA 1.482 57.765 56.287 -0.007 0.000 0.929 211 K CB 0.014 32.515 32.500 0.002 0.000 0.720 211 K HN 0.310 nan 8.250 nan 0.000 0.453 212 Q N 0.609 120.399 119.800 -0.016 0.000 1.965 212 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 212 Q C 2.353 178.323 176.000 -0.049 0.000 0.981 212 Q CA 1.034 56.826 55.803 -0.018 0.000 0.834 212 Q CB -0.796 27.934 28.738 -0.013 0.000 0.900 212 Q HN 0.304 nan 8.270 nan 0.000 0.426 213 L N 0.652 121.823 121.223 -0.087 0.000 2.187 213 L HA -0.190 4.149 4.340 -0.000 0.000 0.213 213 L C 2.327 179.106 176.870 -0.152 0.000 1.100 213 L CA 0.836 55.576 54.840 -0.168 0.000 0.765 213 L CB -0.463 41.451 42.059 -0.241 0.000 0.904 213 L HN 0.218 nan 8.230 nan 0.000 0.437 214 A N -0.296 122.472 122.820 -0.087 0.000 1.841 214 A HA -0.305 4.015 4.320 -0.000 0.000 0.216 214 A C 2.096 179.660 177.584 -0.034 0.000 1.199 214 A CA 1.923 53.928 52.037 -0.053 0.000 0.621 214 A CB -0.649 18.337 19.000 -0.024 0.000 0.835 214 A HN 0.501 nan 8.150 nan 0.000 0.445 215 Q N -0.506 119.283 119.800 -0.017 0.000 2.045 215 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 215 Q C 2.160 178.163 176.000 0.006 0.000 0.991 215 Q CA 1.803 57.608 55.803 0.005 0.000 0.851 215 Q CB -0.479 28.269 28.738 0.016 0.000 0.911 215 Q HN 0.749 nan 8.270 nan 0.000 0.418 216 I N 0.893 121.456 120.570 -0.012 0.000 2.151 216 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 216 I C 2.316 178.433 176.117 0.000 0.000 1.080 216 I CA 1.410 62.707 61.300 -0.005 0.000 1.339 216 I CB -0.363 37.617 38.000 -0.033 0.000 1.039 216 I HN 0.192 nan 8.210 nan 0.000 0.409 217 K N 0.922 121.298 120.400 -0.040 0.000 2.032 217 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 217 K C 1.775 178.406 176.600 0.052 0.000 1.048 217 K CA 1.921 58.208 56.287 -0.001 0.000 0.927 217 K CB -0.294 32.180 32.500 -0.044 0.000 0.712 217 K HN 0.530 nan 8.250 nan 0.000 0.441 218 E N 0.319 120.542 120.200 0.039 0.000 2.512 218 E HA -0.086 4.263 4.350 -0.000 0.000 0.195 218 E C 1.469 178.111 176.600 0.070 0.000 1.083 218 E CA 0.492 56.927 56.400 0.057 0.000 0.873 218 E CB 0.029 29.754 29.700 0.043 0.000 0.897 218 E HN 0.331 nan 8.360 nan 0.000 0.514 219 M N 0.571 120.212 119.600 0.068 0.000 2.615 219 M HA 0.018 4.498 4.480 -0.000 0.000 0.262 219 M C 2.077 178.430 176.300 0.089 0.000 1.198 219 M CA 0.505 55.850 55.300 0.074 0.000 1.165 219 M CB 0.820 33.456 32.600 0.061 0.000 1.310 219 M HN 0.195 nan 8.290 nan 0.000 0.494 220 V N -2.680 117.292 119.914 0.097 0.000 3.590 220 V HA 0.067 4.186 4.120 -0.000 0.000 0.265 220 V C 1.657 177.846 176.094 0.158 0.000 1.239 220 V CA 0.811 63.179 62.300 0.114 0.000 1.117 220 V CB -0.381 31.508 31.823 0.109 0.000 0.818 220 V HN 0.252 nan 8.190 nan 0.000 0.451 221 E N 2.016 122.313 120.200 0.162 0.000 2.045 221 E HA -0.247 4.103 4.350 -0.000 0.000 0.212 221 E C 1.877 178.657 176.600 0.300 0.000 1.039 221 E CA 2.921 59.444 56.400 0.204 0.000 0.860 221 E CB -0.740 29.059 29.700 0.164 0.000 0.776 221 E HN 0.637 nan 8.360 nan 0.000 0.467 222 L N 0.607 122.004 121.223 0.291 0.000 1.994 222 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 222 L C -0.432 176.786 176.870 0.581 0.000 1.071 222 L CA 1.775 56.845 54.840 0.382 0.000 0.745 222 L CB -1.835 40.394 42.059 0.283 0.000 0.892 222 L HN 0.331 nan 8.230 nan 0.000 0.431 223 P HA -0.168 nan 4.420 nan 0.000 0.219 223 P C 1.738 179.213 177.300 0.292 0.000 1.150 223 P CA 1.273 64.590 63.100 0.360 0.000 0.814 223 P CB 0.187 31.847 31.700 -0.066 0.000 0.787 224 L N -1.115 120.247 121.223 0.231 0.000 2.416 224 L HA 0.156 4.496 4.340 -0.000 0.000 0.216 224 L C 2.464 179.419 176.870 0.142 0.000 1.098 224 L CA 1.235 56.179 54.840 0.174 0.000 0.840 224 L CB -0.416 41.733 42.059 0.150 0.000 0.981 224 L HN -0.216 nan 8.230 nan 0.000 0.462 225 R N -2.012 118.594 120.500 0.176 0.000 2.225 225 R HA 0.255 4.595 4.340 -0.000 0.000 0.194 225 R C 0.170 176.414 176.300 -0.095 0.000 0.949 225 R CA 0.162 56.286 56.100 0.040 0.000 1.088 225 R CB 0.318 30.653 30.300 0.058 0.000 1.106 225 R HN 0.401 nan 8.270 nan 0.000 0.566 226 H N 0.526 119.673 119.070 0.128 0.000 2.412 226 H HA 0.233 4.789 4.556 -0.000 0.000 0.239 226 H C -1.991 173.433 175.328 0.159 0.000 1.388 226 H CA -1.693 54.411 56.048 0.093 0.000 1.148 226 H CB 1.247 31.032 29.762 0.038 0.000 1.637 226 H HN -0.045 nan 8.280 nan 0.000 0.542 227 P HA -0.221 nan 4.420 nan 0.000 0.215 227 P C 1.839 179.354 177.300 0.359 0.000 1.163 227 P CA 1.911 65.250 63.100 0.398 0.000 0.894 227 P CB 0.230 31.989 31.700 0.099 0.000 0.791 228 A N -0.906 122.033 122.820 0.197 0.000 2.042 228 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 228 A C 2.123 179.756 177.584 0.082 0.000 1.167 228 A CA 1.657 53.777 52.037 0.138 0.000 0.649 228 A CB -1.736 17.311 19.000 0.077 0.000 0.809 228 A HN 0.182 nan 8.150 nan 0.000 0.457 229 L N -1.685 119.550 121.223 0.019 0.000 2.079 229 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 229 L C 1.886 178.568 176.870 -0.314 0.000 1.081 229 L CA 1.926 56.645 54.840 -0.202 0.000 0.752 229 L CB -0.570 41.252 42.059 -0.396 0.000 0.896 229 L HN 0.377 nan 8.230 nan 0.000 0.433 230 F N -0.687 119.313 119.950 0.083 0.000 2.710 230 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 230 F C 2.308 178.130 175.800 0.038 0.000 1.137 230 F CA 0.831 58.861 58.000 0.051 0.000 1.444 230 F CB -0.450 38.575 39.000 0.043 0.000 1.111 230 F HN 0.113 nan 8.300 nan 0.000 0.580 231 K N 0.991 121.492 120.400 0.169 0.000 2.116 231 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 231 K C 1.657 178.298 176.600 0.068 0.000 1.052 231 K CA 1.152 57.509 56.287 0.116 0.000 0.952 231 K CB -0.087 32.485 32.500 0.119 0.000 0.729 231 K HN 0.105 nan 8.250 nan 0.000 0.446 232 A N 0.737 123.580 122.820 0.040 0.000 2.415 232 A HA 0.301 4.621 4.320 -0.000 0.000 0.248 232 A C 0.065 177.649 177.584 -0.001 0.000 1.299 232 A CA -0.349 51.697 52.037 0.015 0.000 0.899 232 A CB -0.108 18.892 19.000 0.001 0.000 0.997 232 A HN 0.304 nan 8.150 nan 0.000 0.506 233 I N -3.449 117.130 120.570 0.015 0.000 3.322 233 I HA 0.651 4.821 4.170 -0.000 0.000 0.313 233 I C 1.065 177.220 176.117 0.063 0.000 1.129 233 I CA -0.239 61.068 61.300 0.012 0.000 0.963 233 I CB 2.018 39.986 38.000 -0.053 0.000 1.273 233 I HN -0.047 nan 8.210 nan 0.000 0.473 234 G N 1.234 110.073 108.800 0.065 0.000 3.274 234 G HA2 0.310 4.270 3.960 -0.000 0.000 0.250 234 G HA3 0.310 4.270 3.960 -0.000 0.000 0.250 234 G C -0.473 174.486 174.900 0.099 0.000 1.024 234 G CA 0.120 45.264 45.100 0.073 0.000 0.840 234 G HN 0.303 nan 8.290 nan 0.000 0.522 235 V N 1.801 121.803 119.914 0.148 0.000 2.649 235 V HA 0.300 4.419 4.120 -0.000 0.000 0.292 235 V C 0.274 176.509 176.094 0.236 0.000 1.055 235 V CA -0.601 61.807 62.300 0.181 0.000 1.023 235 V CB 1.316 33.262 31.823 0.205 0.000 0.992 235 V HN 0.471 nan 8.190 nan 0.000 0.480 236 K N 6.313 126.784 120.400 0.119 0.000 2.211 236 K HA 0.611 4.931 4.320 -0.000 0.000 0.275 236 K C -2.612 173.958 176.600 -0.049 0.000 1.024 236 K CA -1.411 54.885 56.287 0.015 0.000 0.887 236 K CB 1.453 33.952 32.500 -0.001 0.000 1.084 236 K HN 0.459 nan 8.250 nan 0.000 0.463 237 P HA 0.302 nan 4.420 nan 0.000 0.279 237 P C -2.607 174.589 177.300 -0.173 0.000 1.252 237 P CA -1.728 61.172 63.100 -0.333 0.000 0.811 237 P CB 0.157 31.296 31.700 -0.936 0.000 1.035 238 P HA 0.220 nan 4.420 nan 0.000 0.267 238 P C 0.724 177.990 177.300 -0.057 0.000 1.205 238 P CA 0.098 63.178 63.100 -0.033 0.000 0.765 238 P CB 0.574 32.282 31.700 0.014 0.000 0.828 239 R N 1.682 122.147 120.500 -0.057 0.000 2.167 239 R HA 0.250 4.590 4.340 -0.000 0.000 0.201 239 R C 0.888 177.146 176.300 -0.070 0.000 1.024 239 R CA 0.276 56.331 56.100 -0.075 0.000 1.053 239 R CB 0.362 30.601 30.300 -0.102 0.000 0.987 239 R HN 0.511 nan 8.270 nan 0.000 0.493 240 G N 1.158 109.914 108.800 -0.073 0.000 2.666 240 G HA2 0.581 4.541 3.960 -0.000 0.000 0.303 240 G HA3 0.581 4.541 3.960 -0.000 0.000 0.303 240 G C -0.802 174.264 174.900 0.276 0.000 1.412 240 G CA -0.528 44.563 45.100 -0.015 0.000 0.979 240 G HN -0.053 nan 8.290 nan 0.000 0.507 241 I N 1.796 122.577 120.570 0.353 0.000 2.441 241 I HA 0.415 4.585 4.170 -0.000 0.000 0.295 241 I C -0.860 175.355 176.117 0.163 0.000 0.994 241 I CA -1.027 60.414 61.300 0.236 0.000 1.144 241 I CB 2.178 40.264 38.000 0.143 0.000 1.314 241 I HN 0.211 nan 8.210 nan 0.000 0.445 242 L N 7.223 128.451 121.223 0.008 0.000 2.305 242 L HA 0.530 4.869 4.340 -0.000 0.000 0.284 242 L C -0.950 175.701 176.870 -0.366 0.000 1.013 242 L CA -0.294 54.376 54.840 -0.284 0.000 0.819 242 L CB 1.269 43.105 42.059 -0.372 0.000 1.227 242 L HN 0.430 nan 8.230 nan 0.000 0.417 243 L N 6.192 127.202 121.223 -0.354 0.000 2.280 243 L HA 0.438 4.778 4.340 -0.000 0.000 0.287 243 L C -0.871 175.784 176.870 -0.359 0.000 1.023 243 L CA -0.609 54.087 54.840 -0.240 0.000 0.819 243 L CB 0.719 42.754 42.059 -0.040 0.000 1.212 243 L HN 0.492 nan 8.230 nan 0.000 0.420 244 Y N 1.484 121.787 120.300 0.004 0.000 2.374 244 Y HA 0.806 5.356 4.550 -0.000 0.000 0.322 244 Y C 0.987 176.892 175.900 0.008 0.000 1.275 244 Y CA -0.289 57.810 58.100 -0.002 0.000 1.307 244 Y CB 1.805 40.261 38.460 -0.006 0.000 1.282 244 Y HN 0.669 nan 8.280 nan 0.000 0.509 245 G N 0.653 109.560 108.800 0.178 0.000 2.326 245 G HA2 0.169 4.129 3.960 -0.000 0.000 0.413 245 G HA3 0.169 4.129 3.960 -0.000 0.000 0.413 245 G C -3.423 171.520 174.900 0.072 0.000 1.444 245 G CA -1.482 43.681 45.100 0.104 0.000 1.002 245 G HN 0.322 nan 8.290 nan 0.000 0.649 246 P HA 0.374 nan 4.420 nan 0.000 0.274 246 P C -2.321 175.002 177.300 0.039 0.000 1.246 246 P CA -0.965 62.161 63.100 0.043 0.000 0.795 246 P CB 0.228 31.952 31.700 0.039 0.000 1.006 247 P HA 0.065 nan 4.420 nan 0.000 0.270 247 P C 0.774 178.090 177.300 0.026 0.000 1.223 247 P CA 1.012 64.129 63.100 0.028 0.000 0.785 247 P CB 0.055 31.767 31.700 0.019 0.000 0.923 248 G N 0.884 109.699 108.800 0.025 0.000 2.166 248 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 248 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 248 G C 0.807 175.721 174.900 0.024 0.000 0.986 248 G CA 0.719 45.830 45.100 0.018 0.000 0.683 248 G HN 0.522 nan 8.290 nan 0.000 0.527 249 T N 0.049 114.622 114.554 0.032 0.000 3.148 249 T HA 0.394 4.744 4.350 -0.000 0.000 0.253 249 T C 1.988 176.704 174.700 0.026 0.000 1.134 249 T CA 1.352 63.471 62.100 0.033 0.000 1.051 249 T CB -0.074 68.817 68.868 0.038 0.000 0.959 249 T HN 2.011 nan 8.240 nan 0.000 0.525 250 G N 2.127 110.940 108.800 0.022 0.000 2.142 250 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 250 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 250 G C 0.775 175.659 174.900 -0.027 0.000 1.015 250 G CA 0.368 45.471 45.100 0.004 0.000 0.716 250 G HN 0.488 nan 8.290 nan 0.000 0.508 251 K N -0.663 119.733 120.400 -0.008 0.000 2.031 251 K HA -0.017 4.302 4.320 -0.000 0.000 0.205 251 K C 2.496 178.970 176.600 -0.209 0.000 1.049 251 K CA 1.642 57.910 56.287 -0.032 0.000 0.939 251 K CB -0.315 32.236 32.500 0.085 0.000 0.717 251 K HN 0.266 nan 8.250 nan 0.000 0.438 252 T N 2.229 116.699 114.554 -0.140 0.000 2.849 252 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 252 T C 1.762 176.250 174.700 -0.354 0.000 1.066 252 T CA 0.904 62.793 62.100 -0.353 0.000 1.130 252 T CB -0.162 68.747 68.868 0.069 0.000 0.864 252 T HN 0.098 nan 8.240 nan 0.000 0.481 253 L N 0.888 121.993 121.223 -0.198 0.000 1.973 253 L HA 0.057 4.396 4.340 -0.000 0.000 0.208 253 L C 2.214 178.967 176.870 -0.197 0.000 1.073 253 L CA 1.524 56.266 54.840 -0.163 0.000 0.746 253 L CB -0.459 41.555 42.059 -0.076 0.000 0.891 253 L HN 0.197 nan 8.230 nan 0.000 0.433 254 I N -0.079 120.394 120.570 -0.161 0.000 2.185 254 I HA -0.402 3.767 4.170 -0.000 0.000 0.246 254 I C 2.638 178.658 176.117 -0.162 0.000 1.088 254 I CA 1.366 62.587 61.300 -0.132 0.000 1.347 254 I CB -0.866 37.066 38.000 -0.114 0.000 1.041 254 I HN 0.459 nan 8.210 nan 0.000 0.415 255 A N 0.769 123.413 122.820 -0.293 0.000 1.859 255 A HA -0.283 4.036 4.320 -0.000 0.000 0.217 255 A C 2.463 179.931 177.584 -0.193 0.000 1.198 255 A CA 2.146 54.031 52.037 -0.254 0.000 0.629 255 A CB -0.779 17.774 19.000 -0.745 0.000 0.830 255 A HN 0.351 nan 8.150 nan 0.000 0.446 256 R N -0.715 119.479 120.500 -0.511 0.000 2.152 256 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 256 R C 2.287 178.306 176.300 -0.469 0.000 1.117 256 R CA 1.143 56.661 56.100 -0.970 0.000 0.981 256 R CB -0.351 29.374 30.300 -0.959 0.000 0.870 256 R HN 0.532 nan 8.270 nan 0.000 0.451 257 A N 0.149 122.830 122.820 -0.233 0.000 1.825 257 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 257 A C 2.158 179.788 177.584 0.078 0.000 1.206 257 A CA 1.569 53.577 52.037 -0.049 0.000 0.609 257 A CB -0.933 18.116 19.000 0.082 0.000 0.851 257 A HN 0.165 nan 8.150 nan 0.000 0.445 258 V N 0.247 120.285 119.914 0.207 0.000 2.363 258 V HA -0.353 3.767 4.120 -0.000 0.000 0.254 258 V C 2.993 179.172 176.094 0.142 0.000 1.074 258 V CA 2.283 64.760 62.300 0.294 0.000 1.069 258 V CB -1.456 30.457 31.823 0.151 0.000 0.659 258 V HN 0.668 nan 8.190 nan 0.000 0.455 259 A N 0.588 123.443 122.820 0.058 0.000 1.845 259 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 259 A C 2.099 179.682 177.584 -0.002 0.000 1.195 259 A CA 2.026 54.103 52.037 0.067 0.000 0.616 259 A CB -0.683 18.384 19.000 0.111 0.000 0.832 259 A HN 0.624 nan 8.150 nan 0.000 0.443 260 N N -0.103 118.539 118.700 -0.096 0.000 2.039 260 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 260 N C 1.590 177.033 175.510 -0.110 0.000 1.044 260 N CA 1.683 54.669 53.050 -0.107 0.000 0.847 260 N CB -0.746 37.646 38.487 -0.158 0.000 1.030 260 N HN 0.565 nan 8.380 nan 0.000 0.422 261 E N 0.131 120.223 120.200 -0.180 0.000 2.394 261 E HA -0.121 4.228 4.350 -0.000 0.000 0.202 261 E C 0.723 177.235 176.600 -0.145 0.000 1.029 261 E CA 1.211 57.426 56.400 -0.309 0.000 0.855 261 E CB -0.136 29.085 29.700 -0.799 0.000 0.770 261 E HN 0.574 nan 8.360 nan 0.000 0.527 262 T N -5.297 109.238 114.554 -0.033 0.000 3.231 262 T HA 0.360 4.709 4.350 -0.000 0.000 0.292 262 T C 1.248 175.963 174.700 0.025 0.000 1.001 262 T CA 0.054 62.167 62.100 0.022 0.000 0.920 262 T CB 0.467 69.387 68.868 0.087 0.000 1.140 262 T HN 0.155 nan 8.240 nan 0.000 0.525 263 G N 1.570 110.372 108.800 0.004 0.000 2.244 263 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.274 263 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.274 263 G C 0.410 175.352 174.900 0.071 0.000 1.002 263 G CA 0.066 45.180 45.100 0.024 0.000 0.740 263 G HN 1.349 nan 8.290 nan 0.000 0.516 264 A N -0.169 122.705 122.820 0.091 0.000 2.409 264 A HA 0.594 4.914 4.320 -0.000 0.000 0.267 264 A C 0.282 177.988 177.584 0.204 0.000 1.127 264 A CA -0.447 51.678 52.037 0.146 0.000 0.795 264 A CB 0.231 19.316 19.000 0.143 0.000 1.061 264 A HN 1.314 nan 8.150 nan 0.000 0.502 265 F N 3.001 123.013 119.950 0.103 0.000 2.623 265 F HA 0.279 4.806 4.527 -0.000 0.000 0.383 265 F C -0.449 175.476 175.800 0.209 0.000 1.077 265 F CA 0.073 58.152 58.000 0.131 0.000 1.268 265 F CB 0.027 39.086 39.000 0.097 0.000 1.053 265 F HN 0.460 nan 8.300 nan 0.000 0.571 266 F N 8.929 128.444 119.950 -0.726 0.000 2.445 266 F HA 0.423 4.950 4.527 -0.000 0.000 0.348 266 F C -1.801 173.594 175.800 -0.674 0.000 1.125 266 F CA -1.041 56.644 58.000 -0.526 0.000 0.983 266 F CB 0.500 39.346 39.000 -0.257 0.000 1.198 266 F HN 0.379 nan 8.300 nan 0.000 0.436 267 F N 7.311 126.616 119.950 -1.075 0.000 2.443 267 F HA 0.635 5.162 4.527 -0.000 0.000 0.335 267 F C -1.673 173.650 175.800 -0.795 0.000 1.104 267 F CA -1.090 56.463 58.000 -0.744 0.000 1.013 267 F CB 1.428 40.192 39.000 -0.393 0.000 1.136 267 F HN 0.415 nan 8.300 nan 0.000 0.470 268 L N 7.191 128.098 121.223 -0.526 0.000 2.296 268 L HA 0.596 4.935 4.340 -0.000 0.000 0.286 268 L C -1.230 175.639 176.870 -0.003 0.000 1.023 268 L CA -0.215 54.486 54.840 -0.230 0.000 0.812 268 L CB 0.938 42.953 42.059 -0.073 0.000 1.223 268 L HN 0.507 nan 8.230 nan 0.000 0.421 269 I N 5.300 125.885 120.570 0.025 0.000 2.389 269 I HA 0.353 4.522 4.170 -0.000 0.000 0.288 269 I C -0.488 175.592 176.117 -0.061 0.000 0.999 269 I CA -0.493 60.839 61.300 0.053 0.000 1.129 269 I CB 1.486 39.504 38.000 0.029 0.000 1.288 269 I HN 0.594 nan 8.210 nan 0.000 0.444 270 N N 4.532 123.216 118.700 -0.026 0.000 2.424 270 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 270 N C 0.929 176.414 175.510 -0.042 0.000 0.985 270 N CA -0.046 52.974 53.050 -0.049 0.000 0.921 270 N CB 2.336 40.815 38.487 -0.014 0.000 1.149 270 N HN 0.814 nan 8.380 nan 0.000 0.492 271 G N 4.947 113.706 108.800 -0.069 0.000 2.681 271 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 271 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 271 G C -1.002 173.881 174.900 -0.028 0.000 1.210 271 G CA 0.919 45.988 45.100 -0.051 0.000 0.783 271 G HN 0.552 nan 8.290 nan 0.000 0.609 272 P HA -0.066 nan 4.420 nan 0.000 0.216 272 P C 1.574 178.870 177.300 -0.006 0.000 1.150 272 P CA 1.620 64.712 63.100 -0.013 0.000 0.837 272 P CB 0.003 31.697 31.700 -0.010 0.000 0.786 273 E N -0.110 120.089 120.200 -0.003 0.000 2.058 273 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 273 E C 1.839 178.446 176.600 0.011 0.000 0.997 273 E CA 1.498 57.902 56.400 0.006 0.000 0.801 273 E CB -0.946 28.760 29.700 0.010 0.000 0.746 273 E HN 0.052 nan 8.360 nan 0.000 0.450 274 I N 0.177 120.754 120.570 0.011 0.000 2.233 274 I HA -0.145 4.024 4.170 -0.000 0.000 0.243 274 I C 1.967 178.086 176.117 0.005 0.000 1.093 274 I CA 0.927 62.237 61.300 0.015 0.000 1.380 274 I CB -0.938 37.072 38.000 0.017 0.000 1.067 274 I HN 0.272 nan 8.210 nan 0.000 0.413 275 M N 0.916 120.514 119.600 -0.005 0.000 2.632 275 M HA -0.056 4.424 4.480 -0.000 0.000 0.256 275 M C 2.207 178.502 176.300 -0.007 0.000 1.080 275 M CA 0.890 56.183 55.300 -0.011 0.000 1.084 275 M CB -1.490 31.098 32.600 -0.019 0.000 1.439 275 M HN 0.351 nan 8.290 nan 0.000 0.509 276 S N -1.206 114.493 115.700 -0.002 0.000 2.478 276 S HA 0.075 4.545 4.470 -0.000 0.000 0.222 276 S C 1.085 175.687 174.600 0.002 0.000 1.008 276 S CA -0.159 58.041 58.200 0.000 0.000 0.928 276 S CB 0.351 63.552 63.200 0.002 0.000 0.781 276 S HN 0.227 nan 8.310 nan 0.000 0.518 277 K N 1.458 121.861 120.400 0.005 0.000 2.143 277 K HA 0.324 4.644 4.320 -0.000 0.000 0.239 277 K C 0.359 176.961 176.600 0.003 0.000 1.048 277 K CA -0.201 56.090 56.287 0.007 0.000 0.867 277 K CB 0.058 32.565 32.500 0.012 0.000 1.088 277 K HN 0.298 nan 8.250 nan 0.000 0.510 278 L N 0.773 121.999 121.223 0.004 0.000 2.399 278 L HA 0.289 4.629 4.340 -0.000 0.000 0.266 278 L C 0.573 177.443 176.870 -0.001 0.000 1.114 278 L CA -1.024 53.817 54.840 0.001 0.000 0.804 278 L CB 0.750 42.810 42.059 0.002 0.000 1.146 278 L HN 0.578 nan 8.230 nan 0.000 0.451 279 A N 1.443 124.260 122.820 -0.004 0.000 2.566 279 A HA 0.380 4.700 4.320 -0.000 0.000 0.245 279 A C 1.232 178.813 177.584 -0.005 0.000 1.056 279 A CA 0.832 52.865 52.037 -0.007 0.000 0.757 279 A CB -0.545 18.450 19.000 -0.008 0.000 0.979 279 A HN 1.142 nan 8.150 nan 0.000 0.508 280 G N 1.473 110.269 108.800 -0.007 0.000 2.729 280 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 280 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 280 G C 1.146 176.045 174.900 -0.001 0.000 1.252 280 G CA 0.841 45.938 45.100 -0.006 0.000 0.751 280 G HN 0.892 nan 8.290 nan 0.000 0.527 281 E N 0.694 120.896 120.200 0.002 0.000 2.204 281 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 281 E C 2.446 179.052 176.600 0.011 0.000 0.989 281 E CA 1.454 57.859 56.400 0.008 0.000 0.824 281 E CB -0.171 29.534 29.700 0.010 0.000 0.756 281 E HN 0.470 nan 8.360 nan 0.000 0.477 282 S N 0.339 116.043 115.700 0.006 0.000 2.345 282 S HA -0.155 4.315 4.470 -0.000 0.000 0.220 282 S C 1.617 176.222 174.600 0.009 0.000 1.031 282 S CA 1.442 59.647 58.200 0.008 0.000 0.996 282 S CB -0.060 63.140 63.200 -0.001 0.000 0.882 282 S HN 0.251 nan 8.310 nan 0.000 0.445 283 E N 0.933 121.132 120.200 -0.001 0.000 2.150 283 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 283 E C 2.188 178.786 176.600 -0.003 0.000 0.985 283 E CA 0.958 57.352 56.400 -0.008 0.000 0.814 283 E CB -0.438 29.251 29.700 -0.020 0.000 0.752 283 E HN 0.406 nan 8.360 nan 0.000 0.466 284 S N 0.628 116.329 115.700 0.003 0.000 2.359 284 S HA -0.240 4.230 4.470 -0.000 0.000 0.222 284 S C 1.821 176.433 174.600 0.020 0.000 1.038 284 S CA 1.599 59.803 58.200 0.008 0.000 1.051 284 S CB -0.326 62.880 63.200 0.011 0.000 0.944 284 S HN 0.275 nan 8.310 nan 0.000 0.433 285 N N 1.165 119.885 118.700 0.034 0.000 2.149 285 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 285 N C 1.911 177.454 175.510 0.055 0.000 1.019 285 N CA 1.366 54.450 53.050 0.056 0.000 0.857 285 N CB -0.528 38.002 38.487 0.072 0.000 0.997 285 N HN 0.412 nan 8.380 nan 0.000 0.426 286 L N 1.282 122.538 121.223 0.054 0.000 2.013 286 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 286 L C 2.624 179.558 176.870 0.108 0.000 1.073 286 L CA 1.403 56.296 54.840 0.089 0.000 0.753 286 L CB -0.317 41.774 42.059 0.054 0.000 0.890 286 L HN 0.176 nan 8.230 nan 0.000 0.432 287 R N -0.353 120.164 120.500 0.027 0.000 2.070 287 R HA -0.168 4.172 4.340 -0.000 0.000 0.233 287 R C 2.348 178.667 176.300 0.031 0.000 1.137 287 R CA 1.003 57.106 56.100 0.006 0.000 0.945 287 R CB -0.448 29.836 30.300 -0.027 0.000 0.845 287 R HN 0.156 nan 8.270 nan 0.000 0.430 288 K N 1.372 121.778 120.400 0.010 0.000 2.152 288 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 288 K C 1.861 178.402 176.600 -0.100 0.000 1.048 288 K CA 1.588 57.870 56.287 -0.008 0.000 0.933 288 K CB -0.152 32.363 32.500 0.025 0.000 0.721 288 K HN 0.184 nan 8.250 nan 0.000 0.447 289 A N 0.529 123.247 122.820 -0.169 0.000 1.845 289 A HA -0.134 4.185 4.320 -0.000 0.000 0.215 289 A C 2.121 179.388 177.584 -0.527 0.000 1.195 289 A CA 1.438 53.099 52.037 -0.626 0.000 0.616 289 A CB -0.936 17.811 19.000 -0.422 0.000 0.832 289 A HN 0.281 nan 8.150 nan 0.000 0.443 290 F N 0.093 119.854 119.950 -0.315 0.000 2.126 290 F HA -0.154 4.372 4.527 -0.000 0.000 0.299 290 F C 2.400 178.107 175.800 -0.156 0.000 1.096 290 F CA 1.835 59.713 58.000 -0.204 0.000 1.255 290 F CB -0.570 38.350 39.000 -0.133 0.000 0.997 290 F HN 0.348 nan 8.300 nan 0.000 0.479 291 E N 0.011 120.240 120.200 0.048 0.000 2.021 291 E HA -0.306 4.044 4.350 -0.000 0.000 0.200 291 E C 2.245 178.827 176.600 -0.030 0.000 1.015 291 E CA 1.779 58.184 56.400 0.008 0.000 0.824 291 E CB -0.288 29.412 29.700 -0.001 0.000 0.762 291 E HN 0.423 nan 8.360 nan 0.000 0.454 292 E N -0.452 119.710 120.200 -0.064 0.000 2.130 292 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 292 E C 1.843 178.436 176.600 -0.012 0.000 0.998 292 E CA 0.936 57.321 56.400 -0.025 0.000 0.806 292 E CB -0.072 29.675 29.700 0.078 0.000 0.738 292 E HN 0.288 nan 8.360 nan 0.000 0.459 293 A N 0.661 123.476 122.820 -0.008 0.000 2.066 293 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 293 A C 1.744 179.363 177.584 0.058 0.000 1.157 293 A CA 1.175 53.284 52.037 0.121 0.000 0.670 293 A CB -0.248 18.720 19.000 -0.052 0.000 0.804 293 A HN 0.261 nan 8.150 nan 0.000 0.453 294 E N -0.143 120.066 120.200 0.015 0.000 2.076 294 E HA -0.129 4.220 4.350 -0.000 0.000 0.190 294 E C 1.926 178.529 176.600 0.005 0.000 0.979 294 E CA 0.918 57.337 56.400 0.031 0.000 0.807 294 E CB -0.132 29.588 29.700 0.033 0.000 0.761 294 E HN 0.542 nan 8.360 nan 0.000 0.454 295 K N 1.005 121.380 120.400 -0.042 0.000 1.987 295 K HA -0.099 4.220 4.320 -0.000 0.000 0.216 295 K C 1.086 177.615 176.600 -0.118 0.000 1.051 295 K CA 1.307 57.548 56.287 -0.077 0.000 0.942 295 K CB -0.063 32.372 32.500 -0.109 0.000 0.722 295 K HN 0.091 nan 8.250 nan 0.000 0.444 296 N N 0.848 119.401 118.700 -0.246 0.000 2.597 296 N HA 0.110 4.850 4.740 -0.000 0.000 0.269 296 N C -0.703 174.752 175.510 -0.091 0.000 1.204 296 N CA -0.262 52.610 53.050 -0.296 0.000 0.947 296 N CB 0.801 38.828 38.487 -0.766 0.000 1.258 296 N HN 0.135 nan 8.380 nan 0.000 0.508 297 A N 1.696 124.521 122.820 0.008 0.000 2.332 297 A HA 0.400 4.720 4.320 -0.000 0.000 0.258 297 A C -1.948 175.646 177.584 0.018 0.000 1.087 297 A CA -0.969 51.123 52.037 0.092 0.000 0.802 297 A CB -0.144 18.953 19.000 0.162 0.000 1.042 297 A HN 0.065 nan 8.150 nan 0.000 0.489 298 P HA 0.337 nan 4.420 nan 0.000 0.264 298 P C -0.489 176.926 177.300 0.190 0.000 1.183 298 P CA 0.806 63.976 63.100 0.118 0.000 0.763 298 P CB 0.632 32.385 31.700 0.089 0.000 0.807 299 A N 2.996 125.938 122.820 0.204 0.000 2.594 299 A HA 0.717 5.037 4.320 -0.000 0.000 0.295 299 A C -1.311 176.358 177.584 0.142 0.000 1.071 299 A CA -0.535 51.656 52.037 0.257 0.000 0.685 299 A CB 1.196 20.427 19.000 0.385 0.000 1.285 299 A HN 0.429 nan 8.150 nan 0.000 0.405 300 I N 2.247 122.872 120.570 0.092 0.000 2.439 300 I HA 0.349 4.518 4.170 -0.000 0.000 0.285 300 I C -0.876 175.172 176.117 -0.115 0.000 1.021 300 I CA -0.322 61.007 61.300 0.048 0.000 1.091 300 I CB 1.579 39.680 38.000 0.170 0.000 1.242 300 I HN 0.510 nan 8.210 nan 0.000 0.439 301 I N 6.135 126.622 120.570 -0.138 0.000 2.331 301 I HA 0.235 4.405 4.170 -0.000 0.000 0.292 301 I C -0.714 175.343 176.117 -0.100 0.000 0.998 301 I CA -0.438 60.716 61.300 -0.243 0.000 1.267 301 I CB 1.124 38.860 38.000 -0.440 0.000 1.386 301 I HN 0.391 nan 8.210 nan 0.000 0.476 302 F N 8.246 127.989 119.950 -0.345 0.000 2.402 302 F HA 0.544 5.071 4.527 -0.000 0.000 0.355 302 F C -0.392 175.350 175.800 -0.096 0.000 1.123 302 F CA -1.031 56.868 58.000 -0.168 0.000 1.021 302 F CB 0.746 39.686 39.000 -0.100 0.000 1.160 302 F HN 0.202 nan 8.300 nan 0.000 0.451 303 I N 6.947 127.092 120.570 -0.707 0.000 2.291 303 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 303 I C 0.872 176.343 176.117 -1.077 0.000 1.050 303 I CA -0.334 60.594 61.300 -0.620 0.000 1.245 303 I CB 0.766 38.590 38.000 -0.293 0.000 1.405 303 I HN 0.601 nan 8.210 nan 0.000 0.478 304 D N 5.037 124.905 120.400 -0.886 0.000 2.098 304 D HA -0.129 4.511 4.640 -0.000 0.000 0.207 304 D C 0.514 176.621 176.300 -0.322 0.000 0.979 304 D CA 1.604 55.224 54.000 -0.633 0.000 0.878 304 D CB 0.381 41.067 40.800 -0.190 0.000 1.028 304 D HN 0.543 nan 8.370 nan 0.000 0.452 305 E N 0.668 120.753 120.200 -0.191 0.000 2.282 305 E HA 0.099 4.449 4.350 -0.000 0.000 0.247 305 E C 0.859 177.379 176.600 -0.133 0.000 1.113 305 E CA -0.364 55.962 56.400 -0.123 0.000 1.095 305 E CB 0.853 30.514 29.700 -0.066 0.000 1.328 305 E HN 0.114 nan 8.360 nan 0.000 0.463 306 L N 2.318 123.431 121.223 -0.184 0.000 2.021 306 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 306 L C 1.485 178.287 176.870 -0.113 0.000 1.074 306 L CA 2.556 57.291 54.840 -0.174 0.000 0.760 306 L CB -0.335 41.570 42.059 -0.257 0.000 0.889 306 L HN 0.432 nan 8.230 nan 0.000 0.433 307 D N -0.931 119.412 120.400 -0.095 0.000 2.354 307 D HA -0.147 4.492 4.640 -0.000 0.000 0.216 307 D C 1.742 178.015 176.300 -0.045 0.000 0.970 307 D CA 0.974 54.939 54.000 -0.058 0.000 0.905 307 D CB -0.301 40.474 40.800 -0.041 0.000 0.903 307 D HN 0.432 nan 8.370 nan 0.000 0.508 308 A N -0.264 122.525 122.820 -0.052 0.000 2.208 308 A HA 0.234 4.554 4.320 -0.000 0.000 0.209 308 A C 1.939 179.499 177.584 -0.041 0.000 1.161 308 A CA 0.302 52.315 52.037 -0.041 0.000 0.782 308 A CB -0.264 18.712 19.000 -0.040 0.000 0.816 308 A HN 0.346 nan 8.150 nan 0.000 0.477 309 I N -2.292 118.252 120.570 -0.045 0.000 3.971 309 I HA 0.200 4.370 4.170 -0.000 0.000 0.303 309 I C 1.148 177.246 176.117 -0.031 0.000 1.233 309 I CA 0.656 61.935 61.300 -0.035 0.000 1.346 309 I CB 0.619 38.603 38.000 -0.027 0.000 1.273 309 I HN 0.164 nan 8.210 nan 0.000 0.448 310 A N 3.259 126.060 122.820 -0.033 0.000 3.165 310 A HA 0.485 4.805 4.320 -0.000 0.000 0.331 310 A C -2.625 174.947 177.584 -0.020 0.000 1.034 310 A CA -1.185 50.839 52.037 -0.022 0.000 0.906 310 A CB -0.435 18.561 19.000 -0.007 0.000 1.054 310 A HN -0.074 nan 8.150 nan 0.000 0.484 311 P HA 0.179 nan 4.420 nan 0.000 0.284 311 P C -0.266 177.034 177.300 0.001 0.000 1.253 311 P CA -0.402 62.693 63.100 -0.008 0.000 0.800 311 P CB 1.213 32.909 31.700 -0.007 0.000 0.961 312 K N 2.424 122.830 120.400 0.009 0.000 2.402 312 K HA -0.096 4.224 4.320 -0.000 0.000 0.265 312 K C 1.647 178.259 176.600 0.019 0.000 0.978 312 K CA -0.160 56.136 56.287 0.014 0.000 0.913 312 K CB 0.435 32.945 32.500 0.017 0.000 0.954 312 K HN 0.269 nan 8.250 nan 0.000 0.511 313 R N 1.666 122.177 120.500 0.019 0.000 2.113 313 R HA -0.238 4.102 4.340 -0.000 0.000 0.244 313 R C 2.415 178.737 176.300 0.036 0.000 1.142 313 R CA 2.290 58.405 56.100 0.024 0.000 0.953 313 R CB -1.550 28.762 30.300 0.020 0.000 0.860 313 R HN 0.900 nan 8.270 nan 0.000 0.438 314 E N 1.870 122.088 120.200 0.031 0.000 2.187 314 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 314 E C 1.648 178.279 176.600 0.051 0.000 1.004 314 E CA 1.687 58.106 56.400 0.033 0.000 0.813 314 E CB -0.352 29.362 29.700 0.023 0.000 0.736 314 E HN 0.222 nan 8.360 nan 0.000 0.468 315 K N -0.376 120.061 120.400 0.062 0.000 2.358 315 K HA 0.134 4.454 4.320 -0.000 0.000 0.200 315 K C 0.650 177.343 176.600 0.155 0.000 1.030 315 K CA 0.296 56.642 56.287 0.097 0.000 1.097 315 K CB 0.510 33.047 32.500 0.063 0.000 0.862 315 K HN 0.352 nan 8.250 nan 0.000 0.534 316 T N 1.267 115.891 114.554 0.116 0.000 2.934 316 T HA 0.276 4.625 4.350 -0.000 0.000 0.283 316 T C -0.562 174.241 174.700 0.172 0.000 1.005 316 T CA -0.358 61.772 62.100 0.050 0.000 1.041 316 T CB 0.498 69.364 68.868 -0.003 0.000 1.042 316 T HN 0.450 nan 8.240 nan 0.000 0.505 317 H N 0.458 119.527 119.070 -0.002 0.000 3.700 317 H HA 0.391 4.947 4.556 -0.000 0.000 0.401 317 H C -0.634 174.693 175.328 -0.002 0.000 1.465 317 H CA -0.965 55.082 56.048 -0.002 0.000 1.454 317 H CB -0.506 29.256 29.762 -0.002 0.000 2.669 317 H HN 0.910 nan 8.280 nan 0.000 0.676 318 G N 1.093 109.871 108.800 -0.038 0.000 2.617 318 G HA2 0.064 4.024 3.960 -0.000 0.000 0.305 318 G HA3 0.064 4.024 3.960 -0.000 0.000 0.305 318 G C 0.169 175.050 174.900 -0.032 0.000 1.436 318 G CA -0.517 44.555 45.100 -0.047 0.000 1.036 318 G HN 0.145 nan 8.290 nan 0.000 0.589 319 E N 1.257 121.449 120.200 -0.014 0.000 2.209 319 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 319 E C 1.972 178.560 176.600 -0.021 0.000 0.993 319 E CA 1.714 58.107 56.400 -0.012 0.000 0.819 319 E CB 0.257 29.954 29.700 -0.005 0.000 0.745 319 E HN 0.351 nan 8.360 nan 0.000 0.477 320 V N 0.900 120.798 119.914 -0.028 0.000 2.825 320 V HA -0.066 4.054 4.120 -0.000 0.000 0.246 320 V C 2.218 178.286 176.094 -0.042 0.000 1.068 320 V CA 0.743 63.025 62.300 -0.031 0.000 1.088 320 V CB -0.063 31.744 31.823 -0.027 0.000 0.733 320 V HN 0.087 nan 8.190 nan 0.000 0.468 321 E N 0.827 120.989 120.200 -0.063 0.000 2.031 321 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 321 E C 2.297 178.862 176.600 -0.058 0.000 0.994 321 E CA 1.376 57.727 56.400 -0.082 0.000 0.800 321 E CB -0.272 29.340 29.700 -0.147 0.000 0.752 321 E HN 0.460 nan 8.360 nan 0.000 0.447 322 R N 1.050 121.522 120.500 -0.048 0.000 2.091 322 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 322 R C 2.475 178.759 176.300 -0.027 0.000 1.136 322 R CA 1.535 57.616 56.100 -0.031 0.000 0.959 322 R CB -0.158 30.129 30.300 -0.021 0.000 0.856 322 R HN 0.005 nan 8.270 nan 0.000 0.437 323 R N 0.463 120.947 120.500 -0.027 0.000 2.105 323 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 323 R C 2.185 178.467 176.300 -0.029 0.000 1.135 323 R CA 1.827 57.912 56.100 -0.026 0.000 0.967 323 R CB -0.233 30.053 30.300 -0.024 0.000 0.861 323 R HN 0.322 nan 8.270 nan 0.000 0.442 324 I N -0.159 120.394 120.570 -0.029 0.000 2.233 324 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 324 I C 2.237 178.339 176.117 -0.024 0.000 1.093 324 I CA 0.775 62.059 61.300 -0.026 0.000 1.380 324 I CB -0.266 37.720 38.000 -0.024 0.000 1.067 324 I HN 0.008 nan 8.210 nan 0.000 0.413 325 V N 0.519 120.420 119.914 -0.022 0.000 2.255 325 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 325 V C 2.611 178.694 176.094 -0.018 0.000 1.051 325 V CA 2.275 64.567 62.300 -0.014 0.000 1.018 325 V CB -0.800 31.016 31.823 -0.012 0.000 0.641 325 V HN 0.372 nan 8.190 nan 0.000 0.445 326 S N -0.588 115.097 115.700 -0.025 0.000 2.359 326 S HA -0.369 4.100 4.470 -0.000 0.000 0.223 326 S C 2.033 176.601 174.600 -0.053 0.000 1.039 326 S CA 2.176 60.357 58.200 -0.033 0.000 1.042 326 S CB -0.469 62.712 63.200 -0.031 0.000 0.915 326 S HN 0.656 nan 8.310 nan 0.000 0.439 327 Q N 1.159 120.925 119.800 -0.057 0.000 2.062 327 Q HA -0.162 4.178 4.340 -0.000 0.000 0.209 327 Q C 2.035 177.960 176.000 -0.125 0.000 0.996 327 Q CA 1.752 57.504 55.803 -0.085 0.000 0.859 327 Q CB -0.849 27.849 28.738 -0.066 0.000 0.920 327 Q HN 0.466 nan 8.270 nan 0.000 0.415 328 L N -0.458 120.716 121.223 -0.081 0.000 2.042 328 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 328 L C 2.152 178.955 176.870 -0.110 0.000 1.076 328 L CA 1.718 56.511 54.840 -0.078 0.000 0.749 328 L CB -0.565 41.513 42.059 0.031 0.000 0.893 328 L HN 0.408 nan 8.230 nan 0.000 0.432 329 L N -1.116 120.068 121.223 -0.064 0.000 2.012 329 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 329 L C 2.372 179.167 176.870 -0.126 0.000 1.073 329 L CA 1.946 56.747 54.840 -0.065 0.000 0.748 329 L CB -1.071 40.969 42.059 -0.032 0.000 0.891 329 L HN 0.295 nan 8.230 nan 0.000 0.431 330 T N 0.181 114.652 114.554 -0.137 0.000 2.759 330 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 330 T C 1.924 176.481 174.700 -0.237 0.000 1.042 330 T CA 1.262 63.269 62.100 -0.155 0.000 1.140 330 T CB -0.289 68.499 68.868 -0.134 0.000 0.864 330 T HN 0.205 nan 8.240 nan 0.000 0.455 331 L N 0.059 121.051 121.223 -0.386 0.000 2.141 331 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 331 L C 2.714 179.242 176.870 -0.570 0.000 1.094 331 L CA 0.751 55.183 54.840 -0.680 0.000 0.763 331 L CB -0.543 40.695 42.059 -1.369 0.000 0.908 331 L HN 0.250 nan 8.230 nan 0.000 0.437 332 M N -0.684 118.685 119.600 -0.384 0.000 2.099 332 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 332 M C 1.886 178.090 176.300 -0.161 0.000 1.067 332 M CA 1.551 56.721 55.300 -0.217 0.000 1.124 332 M CB -1.043 31.416 32.600 -0.236 0.000 1.353 332 M HN 0.197 nan 8.290 nan 0.000 0.410 333 D N 0.483 120.794 120.400 -0.149 0.000 2.084 333 D HA -0.086 4.553 4.640 -0.000 0.000 0.194 333 D C 1.692 177.935 176.300 -0.095 0.000 0.990 333 D CA 1.523 55.462 54.000 -0.102 0.000 0.826 333 D CB -0.591 40.158 40.800 -0.084 0.000 0.971 333 D HN 0.435 nan 8.370 nan 0.000 0.453 334 G N 0.230 108.958 108.800 -0.119 0.000 3.229 334 G HA2 0.109 4.069 3.960 -0.000 0.000 0.214 334 G HA3 0.109 4.069 3.960 -0.000 0.000 0.214 334 G C 0.074 174.930 174.900 -0.074 0.000 1.256 334 G CA -0.156 44.886 45.100 -0.097 0.000 1.042 334 G HN 0.061 nan 8.290 nan 0.000 0.497 335 L N 0.860 122.045 121.223 -0.063 0.000 2.356 335 L HA 0.435 4.775 4.340 -0.000 0.000 0.264 335 L C -0.118 176.726 176.870 -0.043 0.000 1.029 335 L CA -0.699 54.127 54.840 -0.023 0.000 0.897 335 L CB 0.800 42.872 42.059 0.021 0.000 1.256 335 L HN 0.034 nan 8.230 nan 0.000 0.444 336 K N 2.192 122.565 120.400 -0.045 0.000 2.118 336 K HA 0.320 4.640 4.320 -0.000 0.000 0.267 336 K C 0.853 177.397 176.600 -0.093 0.000 0.991 336 K CA -0.637 55.613 56.287 -0.061 0.000 0.916 336 K CB 0.877 33.348 32.500 -0.049 0.000 1.041 336 K HN 0.356 nan 8.250 nan 0.000 0.455 337 Q N 0.959 120.690 119.800 -0.115 0.000 2.268 337 Q HA -0.241 4.099 4.340 -0.000 0.000 0.213 337 Q C 1.437 177.273 176.000 -0.274 0.000 0.995 337 Q CA 1.551 57.247 55.803 -0.179 0.000 0.901 337 Q CB -0.236 28.416 28.738 -0.143 0.000 0.921 337 Q HN 0.353 nan 8.270 nan 0.000 0.421 338 R N 0.136 120.506 120.500 -0.217 0.000 2.148 338 R HA 0.068 4.408 4.340 -0.000 0.000 0.227 338 R C 2.087 178.175 176.300 -0.353 0.000 1.103 338 R CA 1.146 57.073 56.100 -0.288 0.000 0.983 338 R CB -0.713 29.527 30.300 -0.100 0.000 0.874 338 R HN 0.426 nan 8.270 nan 0.000 0.451 339 A N -0.090 122.622 122.820 -0.180 0.000 2.019 339 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 339 A C 0.035 177.652 177.584 0.055 0.000 1.164 339 A CA 1.558 53.576 52.037 -0.032 0.000 0.644 339 A CB -0.440 18.560 19.000 -0.001 0.000 0.805 339 A HN 0.628 nan 8.150 nan 0.000 0.449 340 H N -3.344 115.735 119.070 0.016 0.000 3.022 340 H HA -0.118 4.437 4.556 -0.000 0.000 0.258 340 H C -0.385 174.959 175.328 0.026 0.000 1.212 340 H CA 0.282 56.345 56.048 0.025 0.000 1.126 340 H CB -2.299 27.495 29.762 0.053 0.000 1.267 340 H HN 0.291 nan 8.280 nan 0.000 0.345 341 V N 1.064 121.025 119.914 0.079 0.000 2.732 341 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 341 V C 0.776 176.882 176.094 0.019 0.000 1.053 341 V CA -0.576 61.759 62.300 0.058 0.000 0.957 341 V CB 2.364 34.204 31.823 0.029 0.000 1.018 341 V HN 0.203 nan 8.190 nan 0.000 0.452 342 I N 2.931 123.517 120.570 0.027 0.000 2.498 342 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 342 I C -0.866 175.267 176.117 0.027 0.000 1.032 342 I CA -0.770 60.546 61.300 0.026 0.000 1.073 342 I CB 2.239 40.273 38.000 0.056 0.000 1.251 342 I HN 0.270 nan 8.210 nan 0.000 0.426 343 V N 6.871 126.806 119.914 0.034 0.000 2.427 343 V HA 0.474 4.594 4.120 -0.000 0.000 0.286 343 V C 0.059 176.331 176.094 0.295 0.000 1.034 343 V CA -0.380 61.978 62.300 0.098 0.000 0.893 343 V CB 1.598 33.457 31.823 0.060 0.000 0.982 343 V HN 0.632 nan 8.190 nan 0.000 0.452 344 M N 4.319 124.093 119.600 0.290 0.000 2.259 344 M HA 0.753 5.233 4.480 -0.000 0.000 0.304 344 M C -0.406 176.026 176.300 0.220 0.000 1.019 344 M CA -0.336 55.155 55.300 0.319 0.000 0.922 344 M CB 2.142 34.958 32.600 0.359 0.000 1.600 344 M HN 0.724 nan 8.290 nan 0.000 0.433 345 A N 2.439 125.237 122.820 -0.037 0.000 2.380 345 A HA 1.011 5.330 4.320 -0.000 0.000 0.315 345 A C -1.182 176.277 177.584 -0.209 0.000 1.101 345 A CA -0.668 51.173 52.037 -0.326 0.000 0.771 345 A CB 1.571 20.160 19.000 -0.685 0.000 1.287 345 A HN 0.867 nan 8.150 nan 0.000 0.436 346 A N 0.337 123.019 122.820 -0.231 0.000 2.355 346 A HA 0.884 5.203 4.320 -0.000 0.000 0.317 346 A C -0.243 177.241 177.584 -0.167 0.000 1.094 346 A CA -0.168 51.816 52.037 -0.089 0.000 0.764 346 A CB 1.606 20.715 19.000 0.181 0.000 1.230 346 A HN 1.450 nan 8.150 nan 0.000 0.448 347 T N -0.088 114.370 114.554 -0.160 0.000 2.787 347 T HA 0.346 4.695 4.350 -0.000 0.000 0.297 347 T C 0.583 175.269 174.700 -0.023 0.000 1.221 347 T CA -0.307 61.727 62.100 -0.108 0.000 1.006 347 T CB 1.104 69.886 68.868 -0.142 0.000 1.328 347 T HN 0.657 nan 8.240 nan 0.000 0.509 348 N N 0.168 118.878 118.700 0.016 0.000 2.250 348 N HA 0.162 4.901 4.740 -0.000 0.000 0.181 348 N C 0.355 175.932 175.510 0.112 0.000 1.017 348 N CA 0.342 53.424 53.050 0.053 0.000 0.866 348 N CB 0.172 38.679 38.487 0.034 0.000 0.985 348 N HN 0.502 nan 8.380 nan 0.000 0.429 349 R N -1.940 118.648 120.500 0.147 0.000 2.828 349 R HA 0.195 4.535 4.340 -0.000 0.000 0.280 349 R C -2.954 173.472 176.300 0.209 0.000 1.020 349 R CA -1.295 54.928 56.100 0.204 0.000 0.855 349 R CB 0.699 31.045 30.300 0.077 0.000 1.278 349 R HN -0.292 nan 8.270 nan 0.000 0.495 350 P HA -0.264 nan 4.420 nan 0.000 0.214 350 P C 0.303 177.650 177.300 0.078 0.000 1.172 350 P CA 2.369 65.554 63.100 0.143 0.000 0.925 350 P CB -0.183 31.495 31.700 -0.037 0.000 0.793 351 N N -0.872 117.850 118.700 0.036 0.000 2.111 351 N HA -0.219 4.521 4.740 -0.000 0.000 0.197 351 N C 1.699 177.226 175.510 0.027 0.000 1.011 351 N CA 1.814 54.878 53.050 0.024 0.000 0.880 351 N CB -0.869 37.627 38.487 0.014 0.000 1.031 351 N HN 0.142 nan 8.380 nan 0.000 0.444 352 S N 0.740 116.460 115.700 0.033 0.000 2.392 352 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 352 S C 1.081 175.686 174.600 0.009 0.000 1.041 352 S CA 0.785 58.996 58.200 0.020 0.000 1.100 352 S CB -0.389 62.821 63.200 0.017 0.000 1.029 352 S HN 0.186 nan 8.310 nan 0.000 0.424 353 I N 2.469 123.044 120.570 0.007 0.000 3.060 353 I HA 0.099 4.269 4.170 -0.000 0.000 0.285 353 I C 0.528 176.651 176.117 0.010 0.000 1.190 353 I CA -0.681 60.615 61.300 -0.006 0.000 1.363 353 I CB -0.257 37.729 38.000 -0.023 0.000 1.396 353 I HN 0.212 nan 8.210 nan 0.000 0.607 354 D N 5.107 125.512 120.400 0.009 0.000 2.312 354 D HA 0.179 4.819 4.640 -0.000 0.000 0.252 354 D C -1.809 174.506 176.300 0.025 0.000 1.150 354 D CA -2.077 51.932 54.000 0.017 0.000 0.870 354 D CB 1.515 42.324 40.800 0.015 0.000 1.153 354 D HN 0.111 nan 8.370 nan 0.000 0.457 355 P HA -0.227 nan 4.420 nan 0.000 0.218 355 P C 0.938 178.253 177.300 0.025 0.000 1.150 355 P CA 2.030 65.144 63.100 0.022 0.000 0.841 355 P CB 0.150 31.862 31.700 0.019 0.000 0.784 356 A N -0.823 122.014 122.820 0.029 0.000 1.940 356 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 356 A C 2.067 179.680 177.584 0.048 0.000 1.176 356 A CA 1.427 53.483 52.037 0.032 0.000 0.631 356 A CB -1.615 17.401 19.000 0.026 0.000 0.814 356 A HN 0.178 nan 8.150 nan 0.000 0.446 357 L N -0.851 120.421 121.223 0.080 0.000 2.456 357 L HA -0.120 4.219 4.340 -0.000 0.000 0.224 357 L C 2.426 179.402 176.870 0.176 0.000 1.148 357 L CA 0.446 55.392 54.840 0.175 0.000 0.825 357 L CB -0.340 41.849 42.059 0.216 0.000 0.937 357 L HN 0.288 nan 8.230 nan 0.000 0.450 358 R N -0.018 120.520 120.500 0.065 0.000 2.200 358 R HA 0.039 4.379 4.340 -0.000 0.000 0.208 358 R C 0.910 177.120 176.300 -0.149 0.000 1.033 358 R CA -0.051 56.040 56.100 -0.015 0.000 1.000 358 R CB -0.450 29.821 30.300 -0.049 0.000 0.906 358 R HN 0.280 nan 8.270 nan 0.000 0.462 359 R N 1.422 121.870 120.500 -0.087 0.000 2.500 359 R HA -0.149 4.191 4.340 -0.000 0.000 0.281 359 R C 0.426 176.674 176.300 -0.086 0.000 0.953 359 R CA 0.043 56.103 56.100 -0.067 0.000 1.108 359 R CB 0.120 30.450 30.300 0.050 0.000 0.901 359 R HN -0.036 nan 8.270 nan 0.000 0.410 360 F N 2.960 122.921 119.950 0.018 0.000 2.167 360 F HA -0.212 4.315 4.527 -0.001 0.000 0.301 360 F C 2.258 178.049 175.800 -0.015 0.000 1.066 360 F CA 1.811 59.816 58.000 0.009 0.000 1.285 360 F CB -0.464 38.541 39.000 0.008 0.000 1.032 360 F HN 0.785 nan 8.300 nan 0.000 0.495 361 G N -1.101 107.776 108.800 0.129 0.000 2.848 361 G HA2 0.129 4.089 3.960 -0.000 0.000 0.208 361 G HA3 0.129 4.089 3.960 -0.000 0.000 0.208 361 G C 1.186 176.053 174.900 -0.055 0.000 1.152 361 G CA 0.060 45.180 45.100 0.034 0.000 0.789 361 G HN 0.265 nan 8.290 nan 0.000 0.531 362 R N -1.283 119.167 120.500 -0.084 0.000 2.624 362 R HA 0.420 4.760 4.340 -0.000 0.000 0.104 362 R C -0.540 175.603 176.300 -0.261 0.000 1.178 362 R CA -0.781 55.181 56.100 -0.229 0.000 0.986 362 R CB -0.037 30.153 30.300 -0.183 0.000 0.855 362 R HN 0.050 nan 8.270 nan 0.000 0.386 363 F N 3.225 123.162 119.950 -0.021 0.000 2.661 363 F HA 0.086 4.613 4.527 -0.000 0.000 0.356 363 F C 0.321 176.089 175.800 -0.054 0.000 1.244 363 F CA -0.339 57.646 58.000 -0.026 0.000 1.290 363 F CB -0.114 38.868 39.000 -0.030 0.000 1.677 363 F HN 0.390 nan 8.300 nan 0.000 0.649 364 D N -0.911 119.520 120.400 0.051 0.000 2.339 364 D HA 0.015 4.655 4.640 -0.000 0.000 0.217 364 D C 0.578 176.895 176.300 0.027 0.000 1.050 364 D CA 0.141 54.119 54.000 -0.037 0.000 0.856 364 D CB 0.152 40.917 40.800 -0.058 0.000 0.922 364 D HN 0.029 nan 8.370 nan 0.000 0.518 365 R N 0.819 121.372 120.500 0.089 0.000 2.562 365 R HA 0.541 4.881 4.340 -0.000 0.000 0.298 365 R C -0.325 176.052 176.300 0.127 0.000 0.961 365 R CA -0.434 55.724 56.100 0.097 0.000 0.881 365 R CB 1.609 31.964 30.300 0.091 0.000 1.159 365 R HN 0.191 nan 8.270 nan 0.000 0.450 366 E N 1.220 121.509 120.200 0.148 0.000 2.272 366 E HA 0.501 4.850 4.350 -0.000 0.000 0.269 366 E C -0.988 175.747 176.600 0.224 0.000 0.877 366 E CA -1.010 55.536 56.400 0.243 0.000 0.755 366 E CB 3.024 33.008 29.700 0.473 0.000 1.192 366 E HN 0.059 nan 8.360 nan 0.000 0.422 367 V N 2.333 122.375 119.914 0.214 0.000 2.483 367 V HA 0.195 4.315 4.120 -0.000 0.000 0.297 367 V C -1.265 174.982 176.094 0.255 0.000 1.027 367 V CA -0.908 61.493 62.300 0.170 0.000 0.855 367 V CB 1.898 33.770 31.823 0.081 0.000 0.995 367 V HN 0.652 nan 8.190 nan 0.000 0.424 368 D N 5.155 125.681 120.400 0.211 0.000 2.347 368 D HA 0.445 5.085 4.640 -0.000 0.000 0.235 368 D C -0.125 176.240 176.300 0.110 0.000 1.149 368 D CA 0.057 54.174 54.000 0.196 0.000 0.850 368 D CB 1.156 42.007 40.800 0.084 0.000 1.061 368 D HN 0.388 nan 8.370 nan 0.000 0.487 369 I N 2.761 123.395 120.570 0.107 0.000 2.317 369 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 369 I C 1.329 177.482 176.117 0.059 0.000 1.119 369 I CA -0.525 60.812 61.300 0.063 0.000 1.228 369 I CB 0.567 38.596 38.000 0.047 0.000 1.476 369 I HN 0.357 nan 8.210 nan 0.000 0.514 370 G N 5.506 114.336 108.800 0.049 0.000 2.529 370 G HA2 0.341 4.300 3.960 -0.000 0.000 0.277 370 G HA3 0.341 4.300 3.960 -0.000 0.000 0.277 370 G C 0.195 175.118 174.900 0.037 0.000 1.383 370 G CA -0.590 44.535 45.100 0.041 0.000 1.050 370 G HN 0.402 nan 8.290 nan 0.000 0.526 371 I N 1.572 122.163 120.570 0.034 0.000 2.575 371 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 371 I C -1.522 174.615 176.117 0.033 0.000 1.085 371 I CA -1.333 59.988 61.300 0.036 0.000 1.403 371 I CB 1.133 39.154 38.000 0.034 0.000 1.409 371 I HN 0.254 nan 8.210 nan 0.000 0.557 372 P HA 0.007 nan 4.420 nan 0.000 0.272 372 P C -1.091 176.227 177.300 0.030 0.000 1.248 372 P CA -0.132 62.987 63.100 0.033 0.000 0.799 372 P CB 0.370 32.093 31.700 0.038 0.000 0.997 373 D N -1.475 118.941 120.400 0.028 0.000 2.650 373 D HA 0.336 4.976 4.640 -0.000 0.000 0.255 373 D C 0.800 177.113 176.300 0.022 0.000 1.135 373 D CA -0.570 53.447 54.000 0.028 0.000 1.099 373 D CB 0.390 41.205 40.800 0.026 0.000 1.273 373 D HN 0.227 nan 8.370 nan 0.000 0.628 374 A N -0.075 122.759 122.820 0.022 0.000 1.883 374 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 374 A C 2.112 179.702 177.584 0.010 0.000 1.186 374 A CA 2.707 54.749 52.037 0.008 0.000 0.624 374 A CB -1.368 17.641 19.000 0.015 0.000 0.822 374 A HN 0.662 nan 8.150 nan 0.000 0.444 375 T N -0.415 114.149 114.554 0.016 0.000 2.737 375 T HA 0.002 4.352 4.350 -0.000 0.000 0.265 375 T C 2.000 176.713 174.700 0.021 0.000 1.038 375 T CA 1.410 63.520 62.100 0.017 0.000 1.144 375 T CB -0.720 68.157 68.868 0.016 0.000 0.866 375 T HN 0.591 nan 8.240 nan 0.000 0.434 376 G N 1.747 110.560 108.800 0.022 0.000 2.459 376 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 376 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 376 G C 1.688 176.609 174.900 0.035 0.000 1.183 376 G CA 0.461 45.577 45.100 0.026 0.000 0.776 376 G HN 0.410 nan 8.290 nan 0.000 0.552 377 R N -0.328 120.193 120.500 0.034 0.000 2.103 377 R HA -0.046 4.293 4.340 -0.000 0.000 0.242 377 R C 2.459 178.790 176.300 0.051 0.000 1.142 377 R CA 1.135 57.261 56.100 0.043 0.000 0.960 377 R CB -0.660 29.657 30.300 0.028 0.000 0.858 377 R HN 0.324 nan 8.270 nan 0.000 0.439 378 L N 1.530 122.776 121.223 0.039 0.000 1.994 378 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 378 L C 2.028 178.927 176.870 0.049 0.000 1.071 378 L CA 1.934 56.799 54.840 0.043 0.000 0.745 378 L CB -0.812 41.264 42.059 0.028 0.000 0.892 378 L HN 0.254 nan 8.230 nan 0.000 0.431 379 E N -0.159 120.065 120.200 0.039 0.000 2.097 379 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 379 E C 2.262 178.888 176.600 0.043 0.000 1.000 379 E CA 2.002 58.423 56.400 0.034 0.000 0.804 379 E CB -0.111 29.604 29.700 0.026 0.000 0.740 379 E HN 0.613 nan 8.360 nan 0.000 0.454 380 I N 0.591 121.200 120.570 0.064 0.000 2.179 380 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 380 I C 2.411 178.621 176.117 0.155 0.000 1.088 380 I CA 0.896 62.260 61.300 0.106 0.000 1.357 380 I CB -0.282 37.795 38.000 0.128 0.000 1.051 380 I HN 0.178 nan 8.210 nan 0.000 0.409 381 L N 0.263 121.569 121.223 0.138 0.000 2.129 381 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 381 L C 2.614 179.570 176.870 0.143 0.000 1.087 381 L CA 1.457 56.393 54.840 0.159 0.000 0.757 381 L CB -0.506 41.641 42.059 0.146 0.000 0.896 381 L HN 0.402 nan 8.230 nan 0.000 0.434 382 Q N -0.549 119.305 119.800 0.090 0.000 2.269 382 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 382 Q C 2.247 178.264 176.000 0.028 0.000 0.946 382 Q CA 0.933 56.771 55.803 0.059 0.000 0.877 382 Q CB 0.149 28.909 28.738 0.037 0.000 0.963 382 Q HN 0.581 nan 8.270 nan 0.000 0.472 383 I N -0.153 120.413 120.570 -0.007 0.000 2.353 383 I HA -0.186 3.983 4.170 -0.000 0.000 0.248 383 I C 0.885 176.886 176.117 -0.194 0.000 1.119 383 I CA 1.037 62.266 61.300 -0.119 0.000 1.417 383 I CB -0.092 37.788 38.000 -0.200 0.000 1.078 383 I HN 0.192 nan 8.210 nan 0.000 0.421 384 H N -0.099 118.990 119.070 0.032 0.000 2.610 384 H HA 0.088 4.644 4.556 -0.000 0.000 0.302 384 H C 1.042 176.399 175.328 0.049 0.000 1.063 384 H CA 0.644 56.709 56.048 0.029 0.000 1.159 384 H CB 0.084 29.858 29.762 0.020 0.000 1.427 384 H HN 0.300 nan 8.280 nan 0.000 0.553 385 T N -3.946 110.680 114.554 0.119 0.000 3.131 385 T HA -0.025 4.325 4.350 -0.000 0.000 0.283 385 T C 1.424 176.169 174.700 0.074 0.000 0.906 385 T CA -0.538 61.635 62.100 0.122 0.000 0.882 385 T CB 0.060 69.025 68.868 0.161 0.000 1.208 385 T HN 0.334 nan 8.240 nan 0.000 0.561 386 K N 1.545 121.969 120.400 0.041 0.000 2.585 386 K HA 0.063 4.383 4.320 -0.000 0.000 0.194 386 K C 1.063 177.681 176.600 0.032 0.000 1.037 386 K CA 1.215 57.518 56.287 0.026 0.000 0.964 386 K CB -0.461 32.040 32.500 0.000 0.000 0.787 386 K HN 0.370 nan 8.250 nan 0.000 0.488 387 N N 0.265 118.990 118.700 0.041 0.000 2.184 387 N HA 0.157 4.897 4.740 -0.000 0.000 0.206 387 N C -0.266 175.278 175.510 0.057 0.000 1.151 387 N CA -0.337 52.741 53.050 0.047 0.000 0.878 387 N CB 0.469 38.978 38.487 0.036 0.000 1.014 387 N HN 0.244 nan 8.380 nan 0.000 0.512 388 M N -1.193 118.444 119.600 0.061 0.000 2.724 388 M HA 0.422 4.901 4.480 -0.000 0.000 0.310 388 M C -0.514 175.817 176.300 0.052 0.000 1.217 388 M CA -0.832 54.505 55.300 0.062 0.000 0.894 388 M CB 1.809 34.458 32.600 0.082 0.000 1.719 388 M HN -0.327 nan 8.290 nan 0.000 0.479 389 K N 2.338 122.762 120.400 0.040 0.000 2.180 389 K HA 0.422 4.742 4.320 -0.000 0.000 0.250 389 K C -0.776 175.837 176.600 0.022 0.000 1.135 389 K CA -0.264 56.037 56.287 0.023 0.000 1.037 389 K CB -0.084 32.421 32.500 0.008 0.000 1.624 389 K HN 0.683 nan 8.250 nan 0.000 0.382 390 L N 1.865 123.098 121.223 0.017 0.000 2.472 390 L HA 0.031 4.371 4.340 -0.000 0.000 0.273 390 L C 0.688 177.532 176.870 -0.043 0.000 1.254 390 L CA -0.184 54.645 54.840 -0.020 0.000 0.823 390 L CB 0.357 42.381 42.059 -0.059 0.000 1.096 390 L HN 0.563 nan 8.230 nan 0.000 0.521 391 A N 0.567 123.337 122.820 -0.084 0.000 2.282 391 A HA 0.275 4.594 4.320 -0.000 0.000 0.319 391 A C 0.319 177.854 177.584 -0.081 0.000 1.121 391 A CA -0.547 51.449 52.037 -0.068 0.000 0.836 391 A CB 0.676 19.638 19.000 -0.063 0.000 1.146 391 A HN 0.827 nan 8.150 nan 0.000 0.494 392 D N 0.191 120.558 120.400 -0.055 0.000 2.178 392 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 392 D C 1.136 177.400 176.300 -0.060 0.000 0.980 392 D CA 2.050 56.020 54.000 -0.050 0.000 0.842 392 D CB -0.047 40.734 40.800 -0.032 0.000 0.948 392 D HN 0.779 nan 8.370 nan 0.000 0.472 393 D N 0.019 120.381 120.400 -0.064 0.000 2.269 393 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 393 D C 0.413 176.653 176.300 -0.100 0.000 0.963 393 D CA 0.111 54.073 54.000 -0.063 0.000 0.864 393 D CB -0.372 40.401 40.800 -0.047 0.000 0.936 393 D HN -0.002 nan 8.370 nan 0.000 0.505 394 V N 1.434 121.252 119.914 -0.161 0.000 2.584 394 V HA -0.050 4.070 4.120 -0.000 0.000 0.303 394 V C 0.537 176.521 176.094 -0.183 0.000 1.035 394 V CA 0.715 62.851 62.300 -0.273 0.000 1.172 394 V CB 0.519 32.090 31.823 -0.421 0.000 0.896 394 V HN 0.275 nan 8.190 nan 0.000 0.486 395 D N 4.837 125.142 120.400 -0.157 0.000 2.607 395 D HA 0.227 4.867 4.640 -0.000 0.000 0.318 395 D C 1.158 177.424 176.300 -0.057 0.000 1.212 395 D CA -0.322 53.629 54.000 -0.081 0.000 0.861 395 D CB 0.698 41.472 40.800 -0.044 0.000 1.064 395 D HN 0.497 nan 8.370 nan 0.000 0.500 396 L N 1.334 122.516 121.223 -0.068 0.000 2.103 396 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 396 L C 2.783 179.671 176.870 0.030 0.000 1.080 396 L CA 2.319 57.164 54.840 0.008 0.000 0.764 396 L CB -0.569 41.504 42.059 0.024 0.000 0.890 396 L HN 0.382 nan 8.230 nan 0.000 0.435 397 E N -0.071 120.135 120.200 0.008 0.000 2.118 397 E HA -0.327 4.023 4.350 -0.000 0.000 0.195 397 E C 1.905 178.509 176.600 0.005 0.000 0.992 397 E CA 1.592 57.997 56.400 0.008 0.000 0.804 397 E CB -0.654 29.047 29.700 0.002 0.000 0.741 397 E HN 0.553 nan 8.360 nan 0.000 0.458 398 Q N 0.376 120.180 119.800 0.007 0.000 1.993 398 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 398 Q C 2.296 178.307 176.000 0.019 0.000 0.984 398 Q CA 2.350 58.159 55.803 0.009 0.000 0.837 398 Q CB -0.704 28.042 28.738 0.013 0.000 0.902 398 Q HN 0.411 nan 8.270 nan 0.000 0.423 399 V N 1.195 121.144 119.914 0.059 0.000 2.380 399 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 399 V C 2.333 178.455 176.094 0.045 0.000 1.063 399 V CA 1.934 64.290 62.300 0.094 0.000 1.055 399 V CB -1.505 30.442 31.823 0.207 0.000 0.657 399 V HN 0.530 nan 8.190 nan 0.000 0.455 400 A N -0.217 122.622 122.820 0.032 0.000 2.121 400 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 400 A C 2.072 179.610 177.584 -0.077 0.000 1.154 400 A CA 1.568 53.605 52.037 0.000 0.000 0.679 400 A CB -0.512 18.497 19.000 0.014 0.000 0.795 400 A HN 0.609 nan 8.150 nan 0.000 0.458 401 N N 0.088 118.732 118.700 -0.092 0.000 2.368 401 N HA -0.073 4.667 4.740 -0.000 0.000 0.176 401 N C 0.934 176.223 175.510 -0.368 0.000 1.021 401 N CA 1.235 54.175 53.050 -0.184 0.000 0.888 401 N CB 0.013 38.451 38.487 -0.081 0.000 0.995 401 N HN 0.881 nan 8.380 nan 0.000 0.437 402 E N 0.316 120.389 120.200 -0.211 0.000 2.511 402 E HA 0.108 4.458 4.350 -0.000 0.000 0.214 402 E C 0.283 176.796 176.600 -0.145 0.000 1.062 402 E CA -0.046 56.246 56.400 -0.180 0.000 1.213 402 E CB -0.048 29.635 29.700 -0.030 0.000 1.214 402 E HN 0.093 nan 8.360 nan 0.000 0.441 403 T N -3.668 110.737 114.554 -0.248 0.000 2.955 403 T HA 0.020 4.370 4.350 -0.000 0.000 0.251 403 T C 1.230 175.702 174.700 -0.379 0.000 1.002 403 T CA 0.156 62.116 62.100 -0.233 0.000 0.970 403 T CB -0.369 68.489 68.868 -0.016 0.000 1.091 403 T HN 0.255 nan 8.240 nan 0.000 0.495 404 H N 1.766 120.736 119.070 -0.166 0.000 5.020 404 H HA -0.262 4.294 4.556 -0.000 0.000 0.111 404 H C 1.882 177.128 175.328 -0.136 0.000 0.583 404 H CA 2.230 58.202 56.048 -0.127 0.000 1.280 404 H CB -1.335 28.365 29.762 -0.103 0.000 1.285 404 H HN 0.630 nan 8.280 nan 0.000 0.720 405 G N -0.139 108.583 108.800 -0.131 0.000 2.833 405 G HA2 0.003 3.963 3.960 -0.000 0.000 0.214 405 G HA3 0.003 3.963 3.960 -0.000 0.000 0.214 405 G C 0.000 174.890 174.900 -0.016 0.000 1.075 405 G CA -0.236 44.820 45.100 -0.072 0.000 0.799 405 G HN 0.292 nan 8.290 nan 0.000 0.541 406 H N 1.321 120.402 119.070 0.018 0.000 3.034 406 H HA 0.191 4.747 4.556 -0.000 0.000 0.324 406 H C 1.064 176.394 175.328 0.003 0.000 1.015 406 H CA -0.048 56.001 56.048 0.002 0.000 1.429 406 H CB 0.858 30.613 29.762 -0.012 0.000 1.429 406 H HN 0.176 nan 8.280 nan 0.000 0.585 407 V N 0.789 120.780 119.914 0.127 0.000 3.441 407 V HA 0.389 4.509 4.120 -0.000 0.000 0.300 407 V C 1.604 177.728 176.094 0.050 0.000 1.062 407 V CA -0.064 62.279 62.300 0.070 0.000 1.064 407 V CB 0.478 32.330 31.823 0.049 0.000 1.197 407 V HN 0.761 nan 8.190 nan 0.000 0.451 408 G N -0.370 108.456 108.800 0.042 0.000 2.462 408 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.220 408 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.220 408 G C 1.417 176.308 174.900 -0.014 0.000 1.121 408 G CA 1.272 46.395 45.100 0.039 0.000 0.758 408 G HN 1.415 nan 8.290 nan 0.000 0.559 409 A N 0.953 123.760 122.820 -0.022 0.000 1.897 409 A HA -0.012 4.307 4.320 -0.000 0.000 0.215 409 A C 2.102 179.625 177.584 -0.103 0.000 1.181 409 A CA 1.831 53.830 52.037 -0.064 0.000 0.620 409 A CB -0.316 18.663 19.000 -0.036 0.000 0.821 409 A HN 0.281 nan 8.150 nan 0.000 0.443 410 D N 0.502 120.852 120.400 -0.084 0.000 2.092 410 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 410 D C 2.024 178.232 176.300 -0.153 0.000 0.994 410 D CA 1.566 55.480 54.000 -0.144 0.000 0.828 410 D CB -0.407 40.284 40.800 -0.182 0.000 0.963 410 D HN 0.480 nan 8.370 nan 0.000 0.450 411 L N 0.863 122.031 121.223 -0.091 0.000 2.079 411 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 411 L C 2.682 179.459 176.870 -0.155 0.000 1.081 411 L CA 1.102 55.898 54.840 -0.073 0.000 0.752 411 L CB -0.666 41.400 42.059 0.011 0.000 0.896 411 L HN -0.055 nan 8.230 nan 0.000 0.433 412 A N 0.363 123.021 122.820 -0.270 0.000 1.933 412 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 412 A C 2.549 179.939 177.584 -0.325 0.000 1.175 412 A CA 1.835 53.536 52.037 -0.561 0.000 0.628 412 A CB -0.550 18.035 19.000 -0.692 0.000 0.814 412 A HN 0.418 nan 8.150 nan 0.000 0.444 413 A N -0.841 121.847 122.820 -0.220 0.000 1.898 413 A HA 0.139 4.459 4.320 -0.000 0.000 0.214 413 A C 2.021 179.511 177.584 -0.157 0.000 1.183 413 A CA 1.338 53.278 52.037 -0.162 0.000 0.622 413 A CB -0.594 18.322 19.000 -0.140 0.000 0.824 413 A HN 0.527 nan 8.150 nan 0.000 0.444 414 L N 0.370 121.487 121.223 -0.176 0.000 2.010 414 L HA -0.279 4.061 4.340 -0.000 0.000 0.219 414 L C 2.547 179.272 176.870 -0.243 0.000 1.077 414 L CA 2.314 57.037 54.840 -0.196 0.000 0.773 414 L CB -1.005 40.946 42.059 -0.179 0.000 0.892 414 L HN 0.524 nan 8.230 nan 0.000 0.436 415 C N -1.972 117.196 119.300 -0.219 0.000 2.413 415 C HA -0.168 4.292 4.460 -0.000 0.000 0.278 415 C C 2.976 177.881 174.990 -0.141 0.000 1.224 415 C CA 1.178 60.069 59.018 -0.211 0.000 1.732 415 C CB -1.193 26.517 27.740 -0.051 0.000 2.050 415 C HN 0.646 nan 8.230 nan 0.000 0.463 416 S N 0.057 115.701 115.700 -0.095 0.000 2.380 416 S HA -0.242 4.228 4.470 -0.000 0.000 0.229 416 S C 1.835 176.412 174.600 -0.039 0.000 1.043 416 S CA 2.086 60.254 58.200 -0.053 0.000 1.038 416 S CB -0.397 62.771 63.200 -0.053 0.000 0.872 416 S HN 0.681 nan 8.310 nan 0.000 0.456 417 E N 1.281 121.452 120.200 -0.048 0.000 2.031 417 E HA -0.065 4.284 4.350 -0.000 0.000 0.193 417 E C 2.083 178.723 176.600 0.067 0.000 0.994 417 E CA 1.524 57.948 56.400 0.040 0.000 0.800 417 E CB -0.630 29.087 29.700 0.028 0.000 0.752 417 E HN 0.407 nan 8.360 nan 0.000 0.447 418 A N 0.826 123.604 122.820 -0.071 0.000 1.883 418 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 418 A C 2.465 180.030 177.584 -0.031 0.000 1.186 418 A CA 2.507 54.479 52.037 -0.108 0.000 0.624 418 A CB -1.195 17.452 19.000 -0.589 0.000 0.822 418 A HN 0.400 nan 8.150 nan 0.000 0.444 419 A N -0.402 122.401 122.820 -0.030 0.000 1.908 419 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 419 A C 2.151 179.730 177.584 -0.008 0.000 1.181 419 A CA 1.594 53.639 52.037 0.013 0.000 0.627 419 A CB -0.591 18.420 19.000 0.018 0.000 0.818 419 A HN 0.494 nan 8.150 nan 0.000 0.445 420 L N -1.176 120.039 121.223 -0.013 0.000 2.217 420 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 420 L C 2.753 179.572 176.870 -0.085 0.000 1.107 420 L CA 1.321 56.146 54.840 -0.025 0.000 0.783 420 L CB -0.383 41.679 42.059 0.006 0.000 0.919 420 L HN 0.462 nan 8.230 nan 0.000 0.442 421 Q N 0.693 120.415 119.800 -0.130 0.000 2.046 421 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 421 Q C 2.235 178.088 176.000 -0.245 0.000 0.975 421 Q CA 2.132 57.723 55.803 -0.353 0.000 0.836 421 Q CB -0.269 28.164 28.738 -0.508 0.000 0.896 421 Q HN 0.389 nan 8.270 nan 0.000 0.428 422 A N 0.758 123.504 122.820 -0.124 0.000 1.851 422 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 422 A C 2.200 179.739 177.584 -0.075 0.000 1.195 422 A CA 1.809 53.801 52.037 -0.074 0.000 0.622 422 A CB -1.095 17.901 19.000 -0.007 0.000 0.831 422 A HN 0.499 nan 8.150 nan 0.000 0.444 423 I N -1.134 119.403 120.570 -0.055 0.000 2.113 423 I HA -0.352 3.818 4.170 -0.000 0.000 0.242 423 I C 2.798 178.877 176.117 -0.063 0.000 1.064 423 I CA 2.191 63.463 61.300 -0.046 0.000 1.320 423 I CB -0.438 37.542 38.000 -0.032 0.000 1.028 423 I HN 0.366 nan 8.210 nan 0.000 0.406 424 R N 1.040 121.486 120.500 -0.091 0.000 2.096 424 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 424 R C 2.137 178.371 176.300 -0.110 0.000 1.127 424 R CA 1.397 57.436 56.100 -0.101 0.000 0.968 424 R CB 0.042 30.259 30.300 -0.138 0.000 0.861 424 R HN 0.337 nan 8.270 nan 0.000 0.440 425 K N -0.894 119.426 120.400 -0.134 0.000 2.361 425 K HA -0.009 4.311 4.320 -0.000 0.000 0.196 425 K C 1.146 177.700 176.600 -0.078 0.000 1.039 425 K CA 0.701 56.916 56.287 -0.121 0.000 1.001 425 K CB 0.399 32.805 32.500 -0.156 0.000 0.795 425 K HN -0.008 nan 8.250 nan 0.000 0.495 426 K N 0.346 120.708 120.400 -0.064 0.000 3.623 426 K HA 0.144 4.464 4.320 -0.000 0.000 0.187 426 K C 1.498 178.076 176.600 -0.036 0.000 1.136 426 K CA 0.019 56.279 56.287 -0.044 0.000 1.555 426 K CB -0.310 32.169 32.500 -0.035 0.000 2.144 426 K HN -0.177 nan 8.250 nan 0.000 0.483 427 M N 2.238 121.820 119.600 -0.030 0.000 2.446 427 M HA -0.123 4.356 4.480 -0.000 0.000 0.263 427 M C 1.057 177.341 176.300 -0.025 0.000 1.066 427 M CA 1.432 56.717 55.300 -0.024 0.000 1.087 427 M CB -0.497 32.092 32.600 -0.019 0.000 1.406 427 M HN 0.336 nan 8.290 nan 0.000 0.459 428 D N -0.298 120.083 120.400 -0.033 0.000 2.106 428 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 428 D C 1.862 178.146 176.300 -0.028 0.000 0.997 428 D CA 1.499 55.480 54.000 -0.032 0.000 0.834 428 D CB -0.121 40.653 40.800 -0.044 0.000 0.956 428 D HN 0.364 nan 8.370 nan 0.000 0.448 429 L N -0.012 121.192 121.223 -0.032 0.000 1.988 429 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 429 L C 2.346 179.203 176.870 -0.021 0.000 1.071 429 L CA 0.781 55.605 54.840 -0.027 0.000 0.744 429 L CB -0.748 41.292 42.059 -0.031 0.000 0.893 429 L HN 0.141 nan 8.230 nan 0.000 0.433 430 I N 0.236 120.793 120.570 -0.021 0.000 2.908 430 I HA -0.220 3.949 4.170 -0.000 0.000 0.271 430 I C 0.546 176.655 176.117 -0.014 0.000 1.275 430 I CA 0.388 61.677 61.300 -0.017 0.000 1.446 430 I CB -1.223 36.767 38.000 -0.017 0.000 1.092 430 I HN 0.312 nan 8.210 nan 0.000 0.482 431 D N 1.309 121.700 120.400 -0.015 0.000 3.666 431 D HA -0.192 4.447 4.640 -0.000 0.000 0.220 431 D C 0.115 176.409 176.300 -0.010 0.000 1.105 431 D CA 0.432 54.424 54.000 -0.012 0.000 1.111 431 D CB -0.094 40.700 40.800 -0.011 0.000 0.790 431 D HN 0.178 nan 8.370 nan 0.000 0.389 432 L N 3.343 124.560 121.223 -0.010 0.000 3.293 432 L HA 0.054 4.393 4.340 -0.000 0.000 0.345 432 L C 1.164 178.031 176.870 -0.006 0.000 1.311 432 L CA -0.079 54.757 54.840 -0.007 0.000 0.846 432 L CB 0.558 42.612 42.059 -0.008 0.000 1.293 432 L HN 0.251 nan 8.230 nan 0.000 0.601 433 E N -0.470 119.727 120.200 -0.007 0.000 2.385 433 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 433 E C 0.698 177.296 176.600 -0.003 0.000 1.013 433 E CA 0.611 57.008 56.400 -0.005 0.000 0.866 433 E CB -0.100 29.596 29.700 -0.007 0.000 0.832 433 E HN 0.675 nan 8.360 nan 0.000 0.500 434 D N 1.738 122.136 120.400 -0.003 0.000 2.586 434 D HA 0.276 4.916 4.640 -0.000 0.000 0.234 434 D C 0.771 177.071 176.300 0.001 0.000 1.132 434 D CA 1.423 55.423 54.000 -0.001 0.000 0.860 434 D CB -0.691 40.108 40.800 -0.001 0.000 1.159 434 D HN 0.404 nan 8.370 nan 0.000 0.490 435 E N 0.107 120.307 120.200 0.001 0.000 4.310 435 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 435 E C 0.804 177.406 176.600 0.003 0.000 1.405 435 E CA 0.754 57.155 56.400 0.002 0.000 2.225 435 E CB -1.955 27.747 29.700 0.004 0.000 2.070 435 E HN 1.422 nan 8.360 nan 0.000 0.518 436 T N 1.905 116.462 114.554 0.004 0.000 3.688 436 T HA 0.508 4.858 4.350 -0.000 0.000 0.307 436 T C 0.874 175.579 174.700 0.010 0.000 1.382 436 T CA 0.423 62.526 62.100 0.005 0.000 1.136 436 T CB -1.668 67.203 68.868 0.005 0.000 1.207 436 T HN 0.655 nan 8.240 nan 0.000 0.854 437 I N 3.435 124.010 120.570 0.008 0.000 3.384 437 I HA -0.171 3.999 4.170 -0.000 0.000 0.361 437 I C 1.071 177.198 176.117 0.017 0.000 1.146 437 I CA 0.269 61.575 61.300 0.010 0.000 1.572 437 I CB 0.068 38.073 38.000 0.007 0.000 1.239 437 I HN 0.574 nan 8.210 nan 0.000 0.473 438 D N 6.151 126.561 120.400 0.016 0.000 2.341 438 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 438 D C 0.767 177.080 176.300 0.022 0.000 1.106 438 D CA -0.143 53.870 54.000 0.022 0.000 0.905 438 D CB 1.517 42.326 40.800 0.015 0.000 1.202 438 D HN 0.619 nan 8.370 nan 0.000 0.426 439 A N 2.206 125.047 122.820 0.034 0.000 1.930 439 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 439 A C 1.910 179.473 177.584 -0.035 0.000 1.175 439 A CA 1.319 53.367 52.037 0.018 0.000 0.627 439 A CB -0.542 18.491 19.000 0.054 0.000 0.815 439 A HN 0.622 nan 8.150 nan 0.000 0.443 440 E N -0.121 120.064 120.200 -0.024 0.000 2.021 440 E HA -0.159 4.191 4.350 -0.000 0.000 0.200 440 E C 1.989 178.570 176.600 -0.033 0.000 1.015 440 E CA 1.399 57.777 56.400 -0.036 0.000 0.824 440 E CB -0.859 28.830 29.700 -0.018 0.000 0.762 440 E HN 0.261 nan 8.360 nan 0.000 0.454 441 V N 0.813 120.716 119.914 -0.018 0.000 2.220 441 V HA -0.376 3.744 4.120 -0.000 0.000 0.250 441 V C 2.279 178.362 176.094 -0.018 0.000 1.056 441 V CA 2.492 64.783 62.300 -0.016 0.000 1.016 441 V CB -0.544 31.274 31.823 -0.008 0.000 0.639 441 V HN 0.340 nan 8.190 nan 0.000 0.446 442 M N -0.152 119.440 119.600 -0.014 0.000 2.202 442 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 442 M C 2.037 178.323 176.300 -0.024 0.000 1.063 442 M CA 1.755 57.048 55.300 -0.011 0.000 1.097 442 M CB -0.732 31.870 32.600 0.004 0.000 1.382 442 M HN 0.384 nan 8.290 nan 0.000 0.413 443 N N 0.500 119.169 118.700 -0.051 0.000 2.381 443 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 443 N C 1.661 177.142 175.510 -0.049 0.000 1.025 443 N CA 1.690 54.694 53.050 -0.077 0.000 0.888 443 N CB -0.019 38.389 38.487 -0.132 0.000 0.965 443 N HN 0.444 nan 8.380 nan 0.000 0.438 444 S N -0.416 115.263 115.700 -0.036 0.000 2.406 444 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 444 S C 0.977 175.567 174.600 -0.018 0.000 1.030 444 S CA -0.231 57.952 58.200 -0.027 0.000 0.958 444 S CB -0.526 62.659 63.200 -0.025 0.000 0.811 444 S HN 0.196 nan 8.310 nan 0.000 0.489 445 L N 2.617 123.832 121.223 -0.013 0.000 2.667 445 L HA 0.211 4.551 4.340 -0.000 0.000 0.278 445 L C 0.287 177.159 176.870 0.004 0.000 1.217 445 L CA 0.104 54.941 54.840 -0.005 0.000 0.935 445 L CB -0.139 41.919 42.059 -0.001 0.000 1.193 445 L HN 0.438 nan 8.230 nan 0.000 0.493 446 A N 4.588 127.412 122.820 0.007 0.000 2.375 446 A HA 0.500 4.820 4.320 -0.000 0.000 0.291 446 A C -0.554 177.048 177.584 0.031 0.000 1.160 446 A CA -0.494 51.552 52.037 0.014 0.000 0.747 446 A CB 1.573 20.573 19.000 -0.001 0.000 1.170 446 A HN 0.428 nan 8.150 nan 0.000 0.458 447 V N 3.564 123.520 119.914 0.070 0.000 2.637 447 V HA 0.528 4.648 4.120 -0.000 0.000 0.296 447 V C 0.769 176.907 176.094 0.074 0.000 1.046 447 V CA 1.030 63.408 62.300 0.132 0.000 1.066 447 V CB 1.294 33.302 31.823 0.309 0.000 0.968 447 V HN 1.183 nan 8.190 nan 0.000 0.483 448 T N 3.928 118.532 114.554 0.084 0.000 2.945 448 T HA 0.346 4.695 4.350 -0.000 0.000 0.286 448 T C 0.726 175.435 174.700 0.016 0.000 1.025 448 T CA -0.317 61.790 62.100 0.011 0.000 1.039 448 T CB 1.358 70.238 68.868 0.020 0.000 1.068 448 T HN 0.716 nan 8.240 nan 0.000 0.497 449 M N 0.911 120.456 119.600 -0.091 0.000 2.623 449 M HA -0.029 4.451 4.480 -0.000 0.000 0.258 449 M C 1.251 177.613 176.300 0.103 0.000 1.067 449 M CA 1.383 56.628 55.300 -0.091 0.000 1.068 449 M CB -1.156 31.385 32.600 -0.098 0.000 1.409 449 M HN 0.766 nan 8.290 nan 0.000 0.504 450 D N -0.118 120.351 120.400 0.114 0.000 2.183 450 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 450 D C 1.050 177.480 176.300 0.216 0.000 0.962 450 D CA 1.064 55.146 54.000 0.137 0.000 0.849 450 D CB -0.003 40.844 40.800 0.079 0.000 0.978 450 D HN 0.393 nan 8.370 nan 0.000 0.488 451 D N -0.577 119.970 120.400 0.245 0.000 2.218 451 D HA -0.116 4.523 4.640 -0.000 0.000 0.204 451 D C 1.645 178.159 176.300 0.357 0.000 0.976 451 D CA 0.536 54.690 54.000 0.257 0.000 0.853 451 D CB -0.295 40.635 40.800 0.217 0.000 0.939 451 D HN 0.242 nan 8.370 nan 0.000 0.481 452 F N 0.591 120.613 119.950 0.120 0.000 2.325 452 F HA 0.104 4.630 4.527 -0.000 0.000 0.299 452 F C 2.204 178.072 175.800 0.113 0.000 1.090 452 F CA 0.617 58.683 58.000 0.109 0.000 1.392 452 F CB -0.160 38.881 39.000 0.068 0.000 1.053 452 F HN -0.130 nan 8.300 nan 0.000 0.521 453 R N -1.755 118.920 120.500 0.293 0.000 2.153 453 R HA -0.161 4.178 4.340 -0.000 0.000 0.218 453 R C 1.999 178.410 176.300 0.184 0.000 1.072 453 R CA 1.127 57.343 56.100 0.192 0.000 0.990 453 R CB -0.621 29.776 30.300 0.162 0.000 0.889 453 R HN 0.366 nan 8.270 nan 0.000 0.452 454 W N 1.452 122.778 121.300 0.042 0.000 2.379 454 W HA -0.125 4.535 4.660 -0.000 0.000 0.307 454 W C 2.189 178.698 176.519 -0.016 0.000 1.200 454 W CA 1.771 59.123 57.345 0.012 0.000 1.297 454 W CB -0.354 29.112 29.460 0.010 0.000 1.140 454 W HN 0.047 nan 8.180 nan 0.000 0.507 455 A N 0.524 123.421 122.820 0.128 0.000 1.908 455 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 455 A C 2.097 179.556 177.584 -0.208 0.000 1.181 455 A CA 2.026 53.985 52.037 -0.130 0.000 0.627 455 A CB -1.210 17.757 19.000 -0.056 0.000 0.818 455 A HN 0.409 nan 8.150 nan 0.000 0.445 456 L N -0.142 121.027 121.223 -0.090 0.000 2.043 456 L HA -0.164 4.175 4.340 -0.000 0.000 0.212 456 L C 1.636 178.444 176.870 -0.102 0.000 1.075 456 L CA 1.396 56.200 54.840 -0.060 0.000 0.752 456 L CB -0.460 41.611 42.059 0.020 0.000 0.891 456 L HN 0.235 nan 8.230 nan 0.000 0.432 457 S N -0.546 115.064 115.700 -0.149 0.000 3.033 457 S HA 0.116 4.586 4.470 -0.000 0.000 0.258 457 S C 0.165 174.599 174.600 -0.275 0.000 1.207 457 S CA 0.056 58.154 58.200 -0.169 0.000 1.248 457 S CB -0.200 62.914 63.200 -0.142 0.000 0.932 457 S HN 0.244 nan 8.310 nan 0.000 0.472 458 Q N 0.000 119.632 119.800 -0.279 0.000 2.315 458 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 458 Q CA 0.000 55.617 55.803 -0.310 0.000 1.022 458 Q CB 0.000 28.470 28.738 -0.447 0.000 1.108 458 Q HN 0.000 nan 8.270 nan 0.000 0.481