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 1ryw_1_G DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.036 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.620 32.600 0.032 0.000 1.302 2 D N 4.018 124.440 120.400 0.037 0.000 2.400 2 D HA 0.435 5.076 4.640 0.002 0.000 0.238 2 D C -0.379 175.927 176.300 0.011 0.000 1.157 2 D CA 0.715 54.736 54.000 0.034 0.000 0.889 2 D CB 0.756 41.573 40.800 0.029 0.000 1.199 2 D HN 0.520 nan 8.370 nan 0.000 0.436 3 K N 0.563 120.987 120.400 0.040 0.000 2.495 3 K HA 0.488 4.809 4.320 0.002 0.000 0.268 3 K C -0.863 175.864 176.600 0.211 0.000 1.008 3 K CA -0.791 55.522 56.287 0.042 0.000 0.882 3 K CB 2.018 34.557 32.500 0.066 0.000 1.443 3 K HN 0.299 nan 8.250 nan 0.000 0.447 4 F N 1.224 121.181 119.950 0.011 0.000 2.467 4 F HA 0.400 4.929 4.527 0.003 0.000 0.336 4 F C 0.206 176.007 175.800 0.002 0.000 1.123 4 F CA -1.033 56.969 58.000 0.004 0.000 0.964 4 F CB 1.955 40.950 39.000 -0.008 0.000 1.136 4 F HN 0.237 nan 8.300 nan 0.000 0.447 5 R N 3.903 124.499 120.500 0.160 0.000 2.229 5 R HA 0.591 4.932 4.340 0.002 0.000 0.332 5 R C -1.775 174.537 176.300 0.020 0.000 0.989 5 R CA -0.364 55.780 56.100 0.074 0.000 0.842 5 R CB 1.265 31.594 30.300 0.048 0.000 1.119 5 R HN 0.472 nan 8.270 nan 0.000 0.456 6 V N 4.759 124.686 119.914 0.021 0.000 2.540 6 V HA 0.327 4.449 4.120 0.002 0.000 0.302 6 V C -0.551 175.539 176.094 -0.007 0.000 1.035 6 V CA -0.906 61.388 62.300 -0.010 0.000 0.873 6 V CB 1.881 33.702 31.823 -0.002 0.000 0.992 6 V HN 0.724 nan 8.190 nan 0.000 0.428 7 Q N 2.835 122.624 119.800 -0.018 0.000 2.322 7 Q HA 0.679 5.020 4.340 0.002 0.000 0.265 7 Q C 0.072 176.064 176.000 -0.015 0.000 0.985 7 Q CA -0.259 55.537 55.803 -0.013 0.000 0.849 7 Q CB 2.714 31.443 28.738 -0.014 0.000 1.274 7 Q HN 0.947 nan 8.270 nan 0.000 0.449 8 G N 2.456 111.250 108.800 -0.011 0.000 3.015 8 G HA2 0.713 4.675 3.960 0.002 0.000 0.281 8 G HA3 0.713 4.675 3.960 0.002 0.000 0.281 8 G C -2.823 172.071 174.900 -0.010 0.000 1.386 8 G CA -1.270 43.823 45.100 -0.012 0.000 0.959 8 G HN 0.329 nan 8.290 nan 0.000 0.522 9 P HA 0.340 nan 4.420 nan 0.000 0.288 9 P C -0.687 176.606 177.300 -0.011 0.000 1.267 9 P CA -0.085 63.008 63.100 -0.011 0.000 0.815 9 P CB 1.555 33.248 31.700 -0.011 0.000 0.989 10 T N -0.039 114.508 114.554 -0.012 0.000 2.881 10 T HA 0.440 4.791 4.350 0.002 0.000 0.290 10 T C -0.192 174.503 174.700 -0.009 0.000 1.000 10 T CA -1.047 61.046 62.100 -0.011 0.000 0.978 10 T CB 1.631 70.491 68.868 -0.013 0.000 0.997 10 T HN 0.398 nan 8.240 nan 0.000 0.443 11 R N 2.858 123.353 120.500 -0.007 0.000 2.389 11 R HA 0.467 4.808 4.340 0.002 0.000 0.295 11 R C -0.764 175.534 176.300 -0.003 0.000 1.075 11 R CA -0.631 55.466 56.100 -0.006 0.000 1.005 11 R CB 0.259 30.555 30.300 -0.006 0.000 0.987 11 R HN 0.700 nan 8.270 nan 0.000 0.452 12 L N 5.008 126.232 121.223 0.002 0.000 2.257 12 L HA 0.363 4.705 4.340 0.002 0.000 0.290 12 L C 0.030 176.906 176.870 0.009 0.000 1.044 12 L CA -0.241 54.607 54.840 0.013 0.000 0.810 12 L CB 1.360 43.439 42.059 0.034 0.000 1.193 12 L HN 0.605 nan 8.230 nan 0.000 0.425 13 Q N 2.041 121.842 119.800 0.001 0.000 2.379 13 Q HA 0.731 5.073 4.340 0.002 0.000 0.278 13 Q C -0.239 175.751 176.000 -0.018 0.000 1.068 13 Q CA -0.355 55.443 55.803 -0.009 0.000 0.816 13 Q CB 3.339 32.068 28.738 -0.015 0.000 1.387 13 Q HN 0.823 nan 8.270 nan 0.000 0.413 14 G N 1.558 110.343 108.800 -0.026 0.000 2.240 14 G HA2 -0.027 3.935 3.960 0.002 0.000 0.199 14 G HA3 -0.027 3.935 3.960 0.002 0.000 0.199 14 G C -1.439 173.430 174.900 -0.052 0.000 1.342 14 G CA -0.700 44.376 45.100 -0.041 0.000 1.145 14 G HN 0.468 nan 8.290 nan 0.000 0.477 15 E N -1.607 118.549 120.200 -0.073 0.000 2.393 15 E HA 0.643 4.994 4.350 0.002 0.000 0.273 15 E C -1.551 174.961 176.600 -0.147 0.000 0.918 15 E CA -0.811 55.535 56.400 -0.090 0.000 0.773 15 E CB 3.262 32.914 29.700 -0.080 0.000 1.275 15 E HN 0.863 nan 8.360 nan 0.000 0.451 16 V N 1.015 120.820 119.914 -0.181 0.000 2.932 16 V HA 0.433 4.554 4.120 0.002 0.000 0.307 16 V C -1.442 174.543 176.094 -0.181 0.000 1.147 16 V CA -0.260 61.863 62.300 -0.296 0.000 0.951 16 V CB 2.425 33.840 31.823 -0.679 0.000 1.031 16 V HN 0.711 nan 8.190 nan 0.000 0.426 17 T N 7.726 122.194 114.554 -0.145 0.000 2.770 17 T HA 0.499 4.850 4.350 0.002 0.000 0.297 17 T C -0.061 174.613 174.700 -0.044 0.000 0.997 17 T CA -0.262 61.799 62.100 -0.065 0.000 0.949 17 T CB 0.383 69.226 68.868 -0.042 0.000 0.941 17 T HN 0.479 nan 8.240 nan 0.000 0.457 18 I N 3.261 123.828 120.570 -0.004 0.000 2.710 18 I HA 0.068 4.239 4.170 0.002 0.000 0.286 18 I C 1.198 177.335 176.117 0.033 0.000 1.181 18 I CA 0.253 61.579 61.300 0.042 0.000 1.430 18 I CB -0.023 38.016 38.000 0.065 0.000 1.367 18 I HN 0.549 nan 8.210 nan 0.000 0.577 19 S N 4.152 119.881 115.700 0.048 0.000 2.655 19 S HA 0.494 4.966 4.470 0.002 0.000 0.265 19 S C 0.660 175.265 174.600 0.008 0.000 1.240 19 S CA -0.583 57.632 58.200 0.026 0.000 0.986 19 S CB 1.241 64.463 63.200 0.038 0.000 0.985 19 S HN 0.854 nan 8.310 nan 0.000 0.562 20 G N 0.148 108.943 108.800 -0.009 0.000 2.544 20 G HA2 0.444 4.405 3.960 0.002 0.000 0.242 20 G HA3 0.444 4.405 3.960 0.002 0.000 0.242 20 G C -0.039 174.847 174.900 -0.023 0.000 1.247 20 G CA -0.372 44.715 45.100 -0.022 0.000 0.840 20 G HN 0.907 nan 8.290 nan 0.000 0.578 21 A N 1.350 124.155 122.820 -0.025 0.000 2.524 21 A HA 0.247 4.568 4.320 0.002 0.000 0.250 21 A C 1.648 179.216 177.584 -0.026 0.000 1.078 21 A CA 0.341 52.361 52.037 -0.029 0.000 0.761 21 A CB 0.284 19.268 19.000 -0.026 0.000 1.012 21 A HN 0.921 nan 8.150 nan 0.000 0.500 22 K N 2.416 122.797 120.400 -0.032 0.000 2.032 22 K HA -0.179 4.142 4.320 0.002 0.000 0.209 22 K C 0.537 177.157 176.600 0.033 0.000 1.048 22 K CA 1.978 58.259 56.287 -0.011 0.000 0.927 22 K CB -0.138 32.340 32.500 -0.036 0.000 0.712 22 K HN 0.718 nan 8.250 nan 0.000 0.441 23 N N 0.088 118.809 118.700 0.036 0.000 2.515 23 N HA 0.008 4.749 4.740 0.002 0.000 0.191 23 N C 0.616 176.148 175.510 0.036 0.000 1.182 23 N CA 0.759 53.863 53.050 0.090 0.000 0.879 23 N CB 0.756 39.301 38.487 0.098 0.000 0.984 23 N HN 0.371 nan 8.380 nan 0.000 0.453 24 A N -0.177 122.636 122.820 -0.011 0.000 2.026 24 A HA 0.466 4.787 4.320 0.002 0.000 0.201 24 A C 2.108 179.636 177.584 -0.094 0.000 1.318 24 A CA 0.654 52.656 52.037 -0.058 0.000 0.857 24 A CB -0.353 18.627 19.000 -0.034 0.000 0.939 24 A HN 0.176 nan 8.150 nan 0.000 0.476 25 A N 0.444 123.227 122.820 -0.062 0.000 1.877 25 A HA -0.019 4.302 4.320 0.002 0.000 0.216 25 A C 2.112 179.650 177.584 -0.077 0.000 1.186 25 A CA 1.506 53.488 52.037 -0.092 0.000 0.620 25 A CB -0.712 18.252 19.000 -0.060 0.000 0.822 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N -0.011 121.233 121.223 0.035 0.000 1.970 26 L HA -0.133 4.209 4.340 0.002 0.000 0.212 26 L C -0.209 176.760 176.870 0.166 0.000 1.071 26 L CA 1.964 56.922 54.840 0.196 0.000 0.751 26 L CB -1.477 40.834 42.059 0.421 0.000 0.889 26 L HN 0.299 nan 8.230 nan 0.000 0.432 27 P HA -0.175 nan 4.420 nan 0.000 0.220 27 P C 1.792 178.921 177.300 -0.285 0.000 1.148 27 P CA 1.640 64.401 63.100 -0.564 0.000 0.803 27 P CB 0.028 31.133 31.700 -0.991 0.000 0.782 28 I N -0.694 119.690 120.570 -0.310 0.000 2.286 28 I HA -0.185 3.986 4.170 0.002 0.000 0.245 28 I C 2.626 178.471 176.117 -0.453 0.000 1.104 28 I CA 1.004 61.980 61.300 -0.540 0.000 1.397 28 I CB -0.563 36.971 38.000 -0.777 0.000 1.072 28 I HN -0.159 nan 8.210 nan 0.000 0.417 29 L N -0.360 120.684 121.223 -0.300 0.000 2.079 29 L HA -0.234 4.107 4.340 0.002 0.000 0.210 29 L C 2.406 179.143 176.870 -0.223 0.000 1.081 29 L CA 1.625 56.301 54.840 -0.272 0.000 0.752 29 L CB -0.522 41.357 42.059 -0.300 0.000 0.896 29 L HN 0.156 nan 8.230 nan 0.000 0.433 30 F N -0.566 119.367 119.950 -0.028 0.000 2.293 30 F HA -0.077 4.451 4.527 0.002 0.000 0.297 30 F C 2.540 178.375 175.800 0.058 0.000 1.089 30 F CA 0.861 58.893 58.000 0.053 0.000 1.377 30 F CB -0.451 38.618 39.000 0.116 0.000 1.051 30 F HN -0.020 nan 8.300 nan 0.000 0.511 31 A N 0.034 122.963 122.820 0.182 0.000 2.067 31 A HA -0.025 4.297 4.320 0.002 0.000 0.219 31 A C 2.311 180.071 177.584 0.293 0.000 1.158 31 A CA 1.314 53.478 52.037 0.211 0.000 0.661 31 A CB -1.075 18.068 19.000 0.239 0.000 0.801 31 A HN 0.283 nan 8.150 nan 0.000 0.452 32 A N -0.266 122.717 122.820 0.272 0.000 2.125 32 A HA 0.006 4.327 4.320 0.002 0.000 0.219 32 A C 1.932 179.628 177.584 0.187 0.000 1.156 32 A CA 1.153 53.358 52.037 0.279 0.000 0.671 32 A CB -0.555 18.544 19.000 0.165 0.000 0.794 32 A HN 0.491 nan 8.150 nan 0.000 0.459 33 L N -0.770 120.566 121.223 0.188 0.000 2.353 33 L HA -0.133 4.208 4.340 0.002 0.000 0.220 33 L C 2.026 179.024 176.870 0.213 0.000 1.133 33 L CA 0.606 55.581 54.840 0.224 0.000 0.798 33 L CB -0.300 41.927 42.059 0.280 0.000 0.922 33 L HN 0.420 nan 8.230 nan 0.000 0.445 34 L N -0.625 120.683 121.223 0.142 0.000 2.341 34 L HA 0.101 4.442 4.340 0.002 0.000 0.214 34 L C 1.384 178.263 176.870 0.016 0.000 1.115 34 L CA -0.319 54.552 54.840 0.052 0.000 0.820 34 L CB -0.368 41.704 42.059 0.022 0.000 0.944 34 L HN 0.106 nan 8.230 nan 0.000 0.452 35 A N 0.581 123.431 122.820 0.050 0.000 2.451 35 A HA 0.098 4.420 4.320 0.002 0.000 0.266 35 A C 0.970 178.583 177.584 0.048 0.000 1.119 35 A CA -0.171 51.882 52.037 0.027 0.000 0.786 35 A CB 0.111 19.142 19.000 0.050 0.000 1.061 35 A HN 0.331 nan 8.150 nan 0.000 0.503 36 E N 1.136 121.347 120.200 0.019 0.000 2.447 36 E HA 0.011 4.362 4.350 0.002 0.000 0.195 36 E C -0.191 176.435 176.600 0.044 0.000 1.028 36 E CA 0.324 56.745 56.400 0.035 0.000 0.876 36 E CB 0.389 30.093 29.700 0.007 0.000 0.885 36 E HN 0.667 nan 8.360 nan 0.000 0.500 37 E N 0.723 120.945 120.200 0.037 0.000 2.299 37 E HA 0.340 4.692 4.350 0.002 0.000 0.265 37 E C -2.578 174.061 176.600 0.064 0.000 0.911 37 E CA -2.837 53.590 56.400 0.044 0.000 0.789 37 E CB 1.113 30.829 29.700 0.028 0.000 1.246 37 E HN -0.185 nan 8.360 nan 0.000 0.427 38 P HA -0.039 nan 4.420 nan 0.000 0.263 38 P C -0.729 176.642 177.300 0.118 0.000 1.175 38 P CA 0.351 63.516 63.100 0.108 0.000 0.761 38 P CB 0.449 32.217 31.700 0.113 0.000 0.794 39 V N 2.957 122.957 119.914 0.142 0.000 2.789 39 V HA 0.388 4.509 4.120 0.002 0.000 0.311 39 V C -0.133 176.026 176.094 0.110 0.000 1.073 39 V CA -0.501 61.886 62.300 0.145 0.000 0.921 39 V CB 2.160 34.098 31.823 0.192 0.000 1.009 39 V HN 0.482 nan 8.190 nan 0.000 0.426 40 E N 3.709 123.939 120.200 0.051 0.000 2.191 40 E HA 0.573 4.925 4.350 0.002 0.000 0.263 40 E C -1.604 174.906 176.600 -0.150 0.000 0.881 40 E CA -0.572 55.717 56.400 -0.186 0.000 0.757 40 E CB 1.628 31.206 29.700 -0.203 0.000 1.147 40 E HN 0.638 nan 8.360 nan 0.000 0.414 41 I N 4.494 124.906 120.570 -0.263 0.000 2.355 41 I HA 0.198 4.369 4.170 0.002 0.000 0.288 41 I C 0.153 176.113 176.117 -0.262 0.000 0.999 41 I CA -0.542 60.648 61.300 -0.183 0.000 1.163 41 I CB 1.488 39.364 38.000 -0.208 0.000 1.316 41 I HN 0.408 nan 8.210 nan 0.000 0.454 42 Q N 3.775 123.461 119.800 -0.191 0.000 2.212 42 Q HA 0.301 4.643 4.340 0.002 0.000 0.238 42 Q C 0.378 176.293 176.000 -0.141 0.000 0.955 42 Q CA -0.743 54.943 55.803 -0.195 0.000 0.906 42 Q CB 0.673 29.318 28.738 -0.156 0.000 1.215 42 Q HN 0.566 nan 8.270 nan 0.000 0.478 43 N N -0.670 117.960 118.700 -0.118 0.000 2.735 43 N HA -0.163 4.578 4.740 0.002 0.000 0.248 43 N C -1.679 173.788 175.510 -0.073 0.000 1.083 43 N CA 0.256 53.258 53.050 -0.080 0.000 0.703 43 N CB -0.916 37.528 38.487 -0.073 0.000 1.005 43 N HN 0.322 nan 8.380 nan 0.000 0.550 44 V N 1.871 121.732 119.914 -0.089 0.000 2.408 44 V HA 0.363 4.485 4.120 0.002 0.000 0.267 44 V C -1.352 174.717 176.094 -0.042 0.000 1.047 44 V CA -1.063 61.191 62.300 -0.075 0.000 0.937 44 V CB 1.129 32.891 31.823 -0.102 0.000 0.999 44 V HN 0.207 nan 8.190 nan 0.000 0.472 45 P HA 0.158 nan 4.420 nan 0.000 0.272 45 P C -0.763 176.541 177.300 0.007 0.000 1.230 45 P CA -0.484 62.614 63.100 -0.002 0.000 0.788 45 P CB 0.931 32.631 31.700 -0.000 0.000 0.949 46 K N 2.272 122.688 120.400 0.026 0.000 2.206 46 K HA 0.409 4.730 4.320 0.002 0.000 0.268 46 K C -0.232 176.395 176.600 0.045 0.000 1.111 46 K CA -0.205 56.102 56.287 0.034 0.000 0.955 46 K CB -0.035 32.490 32.500 0.042 0.000 1.406 46 K HN 0.421 nan 8.250 nan 0.000 0.427 47 L N 1.384 122.630 121.223 0.037 0.000 2.333 47 L HA 0.347 4.688 4.340 0.002 0.000 0.263 47 L C 1.374 178.271 176.870 0.044 0.000 1.014 47 L CA -1.057 53.811 54.840 0.046 0.000 0.820 47 L CB 1.441 43.520 42.059 0.035 0.000 1.352 47 L HN 0.310 nan 8.230 nan 0.000 0.421 48 K N 0.846 121.278 120.400 0.054 0.000 2.044 48 K HA -0.182 4.139 4.320 0.002 0.000 0.210 48 K C 1.078 177.704 176.600 0.043 0.000 1.049 48 K CA 1.874 58.190 56.287 0.048 0.000 0.927 48 K CB 0.056 32.592 32.500 0.060 0.000 0.713 48 K HN 0.622 nan 8.250 nan 0.000 0.443 49 D N 0.503 120.934 120.400 0.051 0.000 2.264 49 D HA -0.121 4.520 4.640 0.002 0.000 0.208 49 D C 1.841 178.175 176.300 0.057 0.000 0.966 49 D CA 0.494 54.532 54.000 0.062 0.000 0.864 49 D CB 0.063 40.910 40.800 0.078 0.000 0.933 49 D HN 0.173 nan 8.370 nan 0.000 0.499 50 I N 1.394 121.986 120.570 0.036 0.000 2.353 50 I HA -0.159 4.012 4.170 0.002 0.000 0.248 50 I C 1.732 177.850 176.117 0.001 0.000 1.119 50 I CA 0.992 62.298 61.300 0.010 0.000 1.417 50 I CB -0.733 37.267 38.000 0.001 0.000 1.078 50 I HN -0.072 nan 8.210 nan 0.000 0.421 51 D N 0.768 121.176 120.400 0.014 0.000 2.084 51 D HA -0.140 4.501 4.640 0.002 0.000 0.194 51 D C 2.127 178.432 176.300 0.008 0.000 0.990 51 D CA 1.759 55.766 54.000 0.011 0.000 0.826 51 D CB -0.387 40.423 40.800 0.017 0.000 0.971 51 D HN 0.238 nan 8.370 nan 0.000 0.453 52 T N 0.624 115.189 114.554 0.019 0.000 2.720 52 T HA -0.134 4.218 4.350 0.002 0.000 0.268 52 T C 2.032 176.749 174.700 0.028 0.000 1.037 52 T CA 1.790 63.906 62.100 0.026 0.000 1.144 52 T CB -0.553 68.339 68.868 0.039 0.000 0.864 52 T HN 0.156 nan 8.240 nan 0.000 0.444 53 T N 2.133 116.696 114.554 0.016 0.000 2.746 53 T HA 0.001 4.352 4.350 0.002 0.000 0.267 53 T C 2.051 176.679 174.700 -0.120 0.000 1.039 53 T CA 1.106 63.163 62.100 -0.072 0.000 1.142 53 T CB -0.348 68.428 68.868 -0.152 0.000 0.866 53 T HN 0.340 nan 8.240 nan 0.000 0.444 54 M N 0.523 120.080 119.600 -0.072 0.000 2.159 54 M HA -0.088 4.393 4.480 0.002 0.000 0.263 54 M C 2.319 178.601 176.300 -0.031 0.000 1.063 54 M CA 1.607 56.874 55.300 -0.054 0.000 1.110 54 M CB -0.341 32.246 32.600 -0.023 0.000 1.374 54 M HN 0.156 nan 8.290 nan 0.000 0.411 55 K N 0.486 120.878 120.400 -0.013 0.000 2.025 55 K HA -0.122 4.199 4.320 0.002 0.000 0.207 55 K C 1.962 178.564 176.600 0.003 0.000 1.049 55 K CA 1.159 57.445 56.287 -0.001 0.000 0.933 55 K CB -0.347 32.157 32.500 0.006 0.000 0.714 55 K HN 0.301 nan 8.250 nan 0.000 0.438 56 L N 1.365 122.597 121.223 0.015 0.000 2.017 56 L HA -0.206 4.135 4.340 0.002 0.000 0.208 56 L C 2.124 179.007 176.870 0.022 0.000 1.073 56 L CA 1.273 56.141 54.840 0.046 0.000 0.745 56 L CB -0.162 41.967 42.059 0.116 0.000 0.894 56 L HN 0.194 nan 8.230 nan 0.000 0.432 57 L N -0.836 120.370 121.223 -0.029 0.000 2.046 57 L HA -0.237 4.105 4.340 0.002 0.000 0.208 57 L C 2.511 179.369 176.870 -0.020 0.000 1.077 57 L CA 1.877 56.695 54.840 -0.036 0.000 0.747 57 L CB -0.989 41.018 42.059 -0.088 0.000 0.896 57 L HN 0.288 nan 8.230 nan 0.000 0.432 58 T N -1.259 113.284 114.554 -0.019 0.000 2.746 58 T HA -0.273 4.078 4.350 0.002 0.000 0.267 58 T C 1.860 176.545 174.700 -0.025 0.000 1.039 58 T CA 1.235 63.325 62.100 -0.016 0.000 1.142 58 T CB -0.173 68.690 68.868 -0.009 0.000 0.866 58 T HN 0.333 nan 8.240 nan 0.000 0.444 59 Q N 0.167 119.956 119.800 -0.019 0.000 2.291 59 Q HA -0.005 4.336 4.340 0.002 0.000 0.206 59 Q C 1.810 177.776 176.000 -0.057 0.000 0.976 59 Q CA 0.863 56.651 55.803 -0.025 0.000 0.875 59 Q CB -0.190 28.548 28.738 -0.001 0.000 0.927 59 Q HN 0.514 nan 8.270 nan 0.000 0.450 60 L N -1.396 119.791 121.223 -0.060 0.000 2.591 60 L HA 0.146 4.487 4.340 0.002 0.000 0.228 60 L C 1.157 177.924 176.870 -0.171 0.000 1.133 60 L CA 0.554 55.321 54.840 -0.123 0.000 0.880 60 L CB 0.213 42.234 42.059 -0.062 0.000 1.033 60 L HN 0.424 nan 8.230 nan 0.000 0.450 61 G N -0.120 108.615 108.800 -0.108 0.000 2.144 61 G HA2 -0.219 3.742 3.960 0.002 0.000 0.218 61 G HA3 -0.219 3.742 3.960 0.002 0.000 0.218 61 G C 0.227 175.099 174.900 -0.047 0.000 0.988 61 G CA 0.005 45.048 45.100 -0.096 0.000 0.659 61 G HN 0.239 nan 8.290 nan 0.000 0.522 62 T N 1.355 115.894 114.554 -0.025 0.000 2.856 62 T HA 0.472 4.823 4.350 0.002 0.000 0.292 62 T C 0.426 175.134 174.700 0.013 0.000 0.980 62 T CA -0.031 62.075 62.100 0.010 0.000 1.091 62 T CB 1.350 70.229 68.868 0.019 0.000 0.936 62 T HN 0.288 nan 8.240 nan 0.000 0.503 63 K N 2.530 122.948 120.400 0.031 0.000 2.285 63 K HA 0.516 4.837 4.320 0.002 0.000 0.286 63 K C -0.850 175.782 176.600 0.053 0.000 1.072 63 K CA -0.463 55.844 56.287 0.034 0.000 0.913 63 K CB 0.794 33.316 32.500 0.037 0.000 1.067 63 K HN 0.281 nan 8.250 nan 0.000 0.479 64 V N 3.259 123.201 119.914 0.047 0.000 2.789 64 V HA 0.432 4.553 4.120 0.002 0.000 0.311 64 V C -0.500 175.644 176.094 0.083 0.000 1.073 64 V CA -0.867 61.474 62.300 0.067 0.000 0.921 64 V CB 1.931 33.773 31.823 0.031 0.000 1.009 64 V HN 0.899 nan 8.190 nan 0.000 0.426 65 E N 3.684 123.971 120.200 0.145 0.000 2.401 65 E HA 0.732 5.083 4.350 0.002 0.000 0.280 65 E C -1.395 175.388 176.600 0.304 0.000 1.039 65 E CA -1.205 55.294 56.400 0.165 0.000 0.814 65 E CB 3.167 32.934 29.700 0.113 0.000 1.275 65 E HN 0.787 nan 8.360 nan 0.000 0.448 66 R N -0.135 120.529 120.500 0.275 0.000 2.766 66 R HA 0.395 4.736 4.340 0.002 0.000 0.270 66 R C -0.598 175.890 176.300 0.315 0.000 1.035 66 R CA -0.394 55.909 56.100 0.338 0.000 0.911 66 R CB 0.567 30.948 30.300 0.136 0.000 1.243 66 R HN 0.495 nan 8.270 nan 0.000 0.460 67 D N 0.453 121.038 120.400 0.310 0.000 2.099 67 D HA 0.065 4.706 4.640 0.002 0.000 0.278 67 D C 1.401 177.772 176.300 0.117 0.000 1.140 67 D CA 1.007 55.140 54.000 0.221 0.000 0.894 67 D CB -1.003 39.937 40.800 0.233 0.000 0.945 67 D HN 0.616 nan 8.370 nan 0.000 0.338 68 G N -1.114 107.732 108.800 0.075 0.000 2.744 68 G HA2 0.180 4.141 3.960 0.002 0.000 0.211 68 G HA3 0.180 4.141 3.960 0.002 0.000 0.211 68 G C 0.459 175.294 174.900 -0.109 0.000 1.146 68 G CA 0.218 45.313 45.100 -0.007 0.000 0.787 68 G HN 0.367 nan 8.290 nan 0.000 0.534 69 S N -1.149 114.406 115.700 -0.241 0.000 2.718 69 S HA 0.665 5.136 4.470 0.002 0.000 0.300 69 S C -0.862 173.385 174.600 -0.588 0.000 1.117 69 S CA -0.505 57.356 58.200 -0.566 0.000 1.002 69 S CB 2.421 64.992 63.200 -1.049 0.000 1.092 69 S HN -0.055 nan 8.310 nan 0.000 0.542 70 V N 1.823 121.393 119.914 -0.573 0.000 2.443 70 V HA 0.349 4.471 4.120 0.002 0.000 0.293 70 V C -1.039 174.860 176.094 -0.324 0.000 1.021 70 V CA -0.615 61.525 62.300 -0.266 0.000 0.848 70 V CB 1.089 32.823 31.823 -0.148 0.000 0.998 70 V HN 0.778 nan 8.190 nan 0.000 0.424 71 W N 5.459 126.762 121.300 0.006 0.000 2.390 71 W HA 0.599 5.260 4.660 0.002 0.000 0.312 71 W C -0.726 175.802 176.519 0.015 0.000 1.123 71 W CA -0.577 56.779 57.345 0.018 0.000 1.202 71 W CB 1.679 31.150 29.460 0.017 0.000 1.251 71 W HN 0.292 nan 8.180 nan 0.000 0.511 72 I N 3.061 123.744 120.570 0.188 0.000 2.498 72 I HA 0.137 4.309 4.170 0.002 0.000 0.290 72 I C -0.639 175.557 176.117 0.132 0.000 1.032 72 I CA -0.636 60.740 61.300 0.127 0.000 1.073 72 I CB 1.936 39.982 38.000 0.076 0.000 1.251 72 I HN 0.286 nan 8.210 nan 0.000 0.426 73 D N 5.211 125.676 120.400 0.108 0.000 2.389 73 D HA 0.520 5.162 4.640 0.002 0.000 0.256 73 D C -0.045 176.307 176.300 0.087 0.000 1.239 73 D CA -0.270 53.788 54.000 0.097 0.000 0.925 73 D CB 1.609 42.459 40.800 0.084 0.000 1.145 73 D HN 0.601 nan 8.370 nan 0.000 0.542 74 A N 2.530 125.412 122.820 0.103 0.000 2.507 74 A HA 0.166 4.487 4.320 0.002 0.000 0.270 74 A C 1.731 179.407 177.584 0.154 0.000 1.318 74 A CA 0.315 52.427 52.037 0.126 0.000 0.924 74 A CB -0.246 18.846 19.000 0.154 0.000 1.061 74 A HN 0.460 nan 8.150 nan 0.000 0.516 75 S N -0.159 115.612 115.700 0.117 0.000 2.419 75 S HA -0.145 4.326 4.470 0.002 0.000 0.233 75 S C 0.860 175.544 174.600 0.140 0.000 1.016 75 S CA 1.443 59.713 58.200 0.116 0.000 0.974 75 S CB -0.456 62.792 63.200 0.080 0.000 0.786 75 S HN 0.669 nan 8.310 nan 0.000 0.492 76 N N 0.720 119.487 118.700 0.111 0.000 2.735 76 N HA 0.329 5.070 4.740 0.002 0.000 0.312 76 N C -1.363 174.168 175.510 0.035 0.000 1.843 76 N CA -0.285 52.817 53.050 0.086 0.000 0.945 76 N CB 0.849 39.363 38.487 0.046 0.000 1.299 76 N HN 0.074 nan 8.380 nan 0.000 0.489 77 V N 3.022 122.970 119.914 0.057 0.000 2.455 77 V HA 0.070 4.191 4.120 0.002 0.000 0.273 77 V C 0.772 176.635 176.094 -0.385 0.000 1.045 77 V CA -0.137 62.073 62.300 -0.150 0.000 0.976 77 V CB 1.009 32.752 31.823 -0.133 0.000 0.993 77 V HN 0.653 nan 8.190 nan 0.000 0.475 78 N N 4.012 122.432 118.700 -0.466 0.000 2.545 78 N HA 0.040 4.781 4.740 0.002 0.000 0.190 78 N C 0.586 175.425 175.510 -1.118 0.000 1.043 78 N CA -0.091 52.610 53.050 -0.582 0.000 0.879 78 N CB -0.158 38.160 38.487 -0.281 0.000 1.210 78 N HN 0.565 nan 8.380 nan 0.000 0.437 79 N N -0.564 117.608 118.700 -0.879 0.000 2.515 79 N HA 0.261 5.003 4.740 0.002 0.000 0.279 79 N C -1.352 173.552 175.510 -1.010 0.000 1.164 79 N CA -0.528 52.040 53.050 -0.805 0.000 0.982 79 N CB 0.474 38.753 38.487 -0.346 0.000 1.170 79 N HN 0.121 nan 8.380 nan 0.000 0.474 80 F N -0.093 119.807 119.950 -0.084 0.000 2.810 80 F HA 0.371 4.899 4.527 0.002 0.000 0.353 80 F C 0.340 176.150 175.800 0.017 0.000 1.227 80 F CA -0.568 57.401 58.000 -0.052 0.000 1.210 80 F CB 0.095 39.059 39.000 -0.060 0.000 1.039 80 F HN 0.256 nan 8.300 nan 0.000 0.509 81 S N 1.046 116.817 115.700 0.119 0.000 2.536 81 S HA 0.860 5.332 4.470 0.002 0.000 0.287 81 S C -0.742 173.946 174.600 0.147 0.000 1.101 81 S CA -0.423 57.860 58.200 0.139 0.000 0.950 81 S CB 1.422 64.670 63.200 0.080 0.000 1.056 81 S HN 0.203 nan 8.310 nan 0.000 0.481 82 A N 5.783 128.726 122.820 0.206 0.000 2.399 82 A HA 0.635 4.956 4.320 0.002 0.000 0.327 82 A C -2.582 175.154 177.584 0.253 0.000 1.367 82 A CA -1.748 50.402 52.037 0.187 0.000 0.842 82 A CB 0.208 19.301 19.000 0.154 0.000 1.142 82 A HN 0.647 nan 8.150 nan 0.000 0.495 83 P HA -0.149 nan 4.420 nan 0.000 0.266 83 P C 0.294 177.723 177.300 0.215 0.000 1.193 83 P CA 0.315 63.602 63.100 0.311 0.000 0.770 83 P CB 0.568 32.383 31.700 0.191 0.000 0.836 84 Y N 3.279 123.649 120.300 0.117 0.000 2.207 84 Y HA -0.263 4.287 4.550 0.001 0.000 0.287 84 Y C 2.044 177.940 175.900 -0.007 0.000 1.156 84 Y CA 2.498 60.575 58.100 -0.039 0.000 1.182 84 Y CB -0.584 37.855 38.460 -0.035 0.000 0.979 84 Y HN 0.383 nan 8.280 nan 0.000 0.521 85 D N -0.327 120.121 120.400 0.080 0.000 2.263 85 D HA -0.208 4.433 4.640 0.002 0.000 0.208 85 D C 1.964 178.210 176.300 -0.089 0.000 0.971 85 D CA 1.324 55.310 54.000 -0.023 0.000 0.867 85 D CB -0.484 40.358 40.800 0.070 0.000 0.929 85 D HN 0.471 nan 8.370 nan 0.000 0.492 86 L N 0.234 121.424 121.223 -0.055 0.000 2.189 86 L HA -0.031 4.310 4.340 0.002 0.000 0.199 86 L C 2.693 179.511 176.870 -0.086 0.000 1.074 86 L CA 0.219 55.033 54.840 -0.042 0.000 0.783 86 L CB -0.086 41.985 42.059 0.019 0.000 0.955 86 L HN -0.133 nan 8.230 nan 0.000 0.460 87 V N 1.322 121.171 119.914 -0.110 0.000 2.469 87 V HA -0.300 3.822 4.120 0.002 0.000 0.251 87 V C 2.440 178.395 176.094 -0.231 0.000 1.064 87 V CA 2.145 64.358 62.300 -0.146 0.000 1.066 87 V CB -0.906 30.826 31.823 -0.152 0.000 0.667 87 V HN 0.580 nan 8.190 nan 0.000 0.461 88 K N 1.300 121.474 120.400 -0.376 0.000 2.362 88 K HA -0.141 4.180 4.320 0.002 0.000 0.200 88 K C 1.759 178.224 176.600 -0.225 0.000 1.046 88 K CA 1.696 57.733 56.287 -0.417 0.000 0.952 88 K CB -0.529 31.539 32.500 -0.721 0.000 0.753 88 K HN 0.604 nan 8.250 nan 0.000 0.466 89 T N -2.211 112.246 114.554 -0.163 0.000 3.044 89 T HA 0.176 4.527 4.350 0.002 0.000 0.250 89 T C 0.640 175.307 174.700 -0.056 0.000 1.081 89 T CA -0.328 61.717 62.100 -0.092 0.000 1.040 89 T CB 0.056 68.880 68.868 -0.073 0.000 0.962 89 T HN 0.257 nan 8.240 nan 0.000 0.506 90 M N 2.024 121.583 119.600 -0.069 0.000 2.295 90 M HA 0.351 4.832 4.480 0.002 0.000 0.219 90 M C 0.328 176.571 176.300 -0.095 0.000 0.981 90 M CA -0.648 54.624 55.300 -0.047 0.000 1.019 90 M CB 1.267 33.879 32.600 0.019 0.000 2.528 90 M HN 0.140 nan 8.290 nan 0.000 0.445 91 R N 1.881 122.294 120.500 -0.146 0.000 2.241 91 R HA 0.057 4.399 4.340 0.002 0.000 0.224 91 R C 1.276 177.379 176.300 -0.330 0.000 1.101 91 R CA 1.479 57.447 56.100 -0.220 0.000 0.995 91 R CB -0.548 29.619 30.300 -0.223 0.000 0.870 91 R HN 0.620 nan 8.270 nan 0.000 0.463 92 A N 1.204 123.841 122.820 -0.305 0.000 2.178 92 A HA -0.082 4.239 4.320 0.002 0.000 0.218 92 A C 1.992 179.271 177.584 -0.508 0.000 1.157 92 A CA 1.357 53.101 52.037 -0.489 0.000 0.689 92 A CB -0.471 18.442 19.000 -0.144 0.000 0.787 92 A HN 0.406 nan 8.150 nan 0.000 0.465 93 S N -0.261 115.279 115.700 -0.266 0.000 2.420 93 S HA -0.192 4.280 4.470 0.002 0.000 0.237 93 S C 1.678 176.066 174.600 -0.354 0.000 1.023 93 S CA 1.329 59.412 58.200 -0.195 0.000 0.991 93 S CB -0.441 62.754 63.200 -0.008 0.000 0.792 93 S HN 0.608 nan 8.310 nan 0.000 0.488 94 I N 0.909 121.242 120.570 -0.394 0.000 2.502 94 I HA -0.132 4.040 4.170 0.002 0.000 0.258 94 I C 1.380 177.343 176.117 -0.257 0.000 1.172 94 I CA 0.885 61.981 61.300 -0.340 0.000 1.430 94 I CB -0.396 37.312 38.000 -0.487 0.000 1.086 94 I HN 0.384 nan 8.210 nan 0.000 0.440 95 W N 0.416 121.391 121.300 -0.541 0.000 2.721 95 W HA 0.085 4.747 4.660 0.003 0.000 0.245 95 W C 2.326 178.647 176.519 -0.330 0.000 1.276 95 W CA 0.747 57.800 57.345 -0.487 0.000 1.342 95 W CB -1.113 27.943 29.460 -0.674 0.000 1.135 95 W HN 0.304 nan 8.180 nan 0.000 0.654 96 A N -0.393 122.383 122.820 -0.074 0.000 2.016 96 A HA -0.075 4.246 4.320 0.002 0.000 0.217 96 A C 1.950 179.665 177.584 0.219 0.000 1.162 96 A CA 0.779 52.976 52.037 0.266 0.000 0.662 96 A CB -0.619 18.590 19.000 0.348 0.000 0.812 96 A HN 0.120 nan 8.150 nan 0.000 0.450 97 L N 0.375 121.684 121.223 0.143 0.000 1.971 97 L HA -0.125 4.216 4.340 0.002 0.000 0.215 97 L C 2.482 179.443 176.870 0.153 0.000 1.072 97 L CA 2.498 57.422 54.840 0.140 0.000 0.758 97 L CB -1.164 40.953 42.059 0.096 0.000 0.889 97 L HN 0.329 nan 8.230 nan 0.000 0.433 98 G N -0.889 108.007 108.800 0.161 0.000 2.514 98 G HA2 -0.246 3.715 3.960 0.002 0.000 0.217 98 G HA3 -0.246 3.715 3.960 0.002 0.000 0.217 98 G C -0.622 174.358 174.900 0.134 0.000 1.198 98 G CA 1.048 46.232 45.100 0.140 0.000 0.780 98 G HN 0.388 nan 8.290 nan 0.000 0.565 99 P HA -0.052 nan 4.420 nan 0.000 0.215 99 P C 2.137 179.565 177.300 0.213 0.000 1.157 99 P CA 0.752 63.956 63.100 0.173 0.000 0.868 99 P CB -0.142 31.693 31.700 0.226 0.000 0.788 100 L N -1.066 120.326 121.223 0.281 0.000 2.042 100 L HA -0.147 4.194 4.340 0.002 0.000 0.210 100 L C 2.476 179.499 176.870 0.255 0.000 1.076 100 L CA 1.382 56.450 54.840 0.380 0.000 0.749 100 L CB -1.089 41.172 42.059 0.337 0.000 0.893 100 L HN -0.078 nan 8.230 nan 0.000 0.432 101 V N -0.407 119.591 119.914 0.140 0.000 2.591 101 V HA -0.124 3.997 4.120 0.002 0.000 0.249 101 V C 2.485 178.596 176.094 0.028 0.000 1.053 101 V CA 1.557 63.895 62.300 0.063 0.000 1.068 101 V CB 0.157 32.010 31.823 0.050 0.000 0.689 101 V HN 0.397 nan 8.190 nan 0.000 0.462 102 A N 0.004 122.843 122.820 0.032 0.000 1.929 102 A HA -0.138 4.184 4.320 0.002 0.000 0.216 102 A C 2.420 179.957 177.584 -0.078 0.000 1.176 102 A CA 1.783 53.811 52.037 -0.014 0.000 0.628 102 A CB -0.468 18.532 19.000 -0.001 0.000 0.816 102 A HN 0.562 nan 8.150 nan 0.000 0.444 103 R N -2.198 118.227 120.500 -0.125 0.000 2.128 103 R HA 0.143 4.484 4.340 0.002 0.000 0.211 103 R C 0.706 176.670 176.300 -0.560 0.000 1.067 103 R CA 0.828 56.698 56.100 -0.383 0.000 1.010 103 R CB 0.003 29.960 30.300 -0.571 0.000 0.922 103 R HN 0.466 nan 8.270 nan 0.000 0.457 104 F N -0.759 119.151 119.950 -0.067 0.000 2.678 104 F HA 0.393 4.922 4.527 0.002 0.000 0.305 104 F C 1.353 177.007 175.800 -0.244 0.000 1.090 104 F CA 0.374 58.266 58.000 -0.179 0.000 1.272 104 F CB 1.342 40.122 39.000 -0.367 0.000 1.060 104 F HN 0.270 nan 8.300 nan 0.000 0.576 105 G N 0.997 109.775 108.800 -0.037 0.000 2.184 105 G HA2 -0.274 3.687 3.960 0.002 0.000 0.264 105 G HA3 -0.274 3.687 3.960 0.002 0.000 0.264 105 G C 0.110 174.963 174.900 -0.079 0.000 0.975 105 G CA 0.546 45.612 45.100 -0.056 0.000 0.642 105 G HN 0.527 nan 8.290 nan 0.000 0.536 106 Q N -1.657 118.062 119.800 -0.134 0.000 2.534 106 Q HA 0.672 5.014 4.340 0.002 0.000 0.290 106 Q C -0.462 175.487 176.000 -0.084 0.000 0.991 106 Q CA -0.563 55.160 55.803 -0.133 0.000 0.783 106 Q CB 1.886 30.500 28.738 -0.207 0.000 1.470 106 Q HN 1.676 nan 8.270 nan 0.000 0.406 107 G N 1.546 110.361 108.800 0.025 0.000 2.443 107 G HA2 0.403 4.365 3.960 0.002 0.000 0.303 107 G HA3 0.403 4.365 3.960 0.002 0.000 0.303 107 G C -2.162 172.817 174.900 0.132 0.000 1.613 107 G CA -0.631 44.544 45.100 0.126 0.000 0.879 107 G HN 0.678 nan 8.290 nan 0.000 0.632 108 Q N 0.887 120.789 119.800 0.169 0.000 2.275 108 Q HA 0.633 4.974 4.340 0.002 0.000 0.266 108 Q C -1.582 174.563 176.000 0.241 0.000 1.002 108 Q CA -0.934 54.981 55.803 0.187 0.000 0.761 108 Q CB 2.121 30.961 28.738 0.169 0.000 1.255 108 Q HN 0.569 nan 8.270 nan 0.000 0.446 109 V N 1.498 121.532 119.914 0.201 0.000 2.495 109 V HA 0.369 4.490 4.120 0.002 0.000 0.298 109 V C 0.300 176.418 176.094 0.041 0.000 1.031 109 V CA -0.779 61.605 62.300 0.140 0.000 0.871 109 V CB 1.796 33.649 31.823 0.049 0.000 0.988 109 V HN 0.895 nan 8.190 nan 0.000 0.432 110 S N 4.613 120.240 115.700 -0.121 0.000 2.544 110 S HA 0.162 4.633 4.470 0.002 0.000 0.290 110 S C -0.053 174.406 174.600 -0.235 0.000 1.276 110 S CA -0.363 57.538 58.200 -0.498 0.000 1.075 110 S CB -0.075 62.839 63.200 -0.478 0.000 0.849 110 S HN 0.631 nan 8.310 nan 0.000 0.494 111 L N 7.879 128.983 121.223 -0.200 0.000 2.534 111 L HA 0.235 4.576 4.340 0.002 0.000 0.271 111 L C -1.712 175.092 176.870 -0.109 0.000 1.178 111 L CA -1.444 53.324 54.840 -0.120 0.000 0.907 111 L CB 0.528 42.542 42.059 -0.077 0.000 1.164 111 L HN 0.576 nan 8.230 nan 0.000 0.482 112 P HA 0.096 nan 4.420 nan 0.000 0.268 112 P C -0.046 177.208 177.300 -0.076 0.000 1.205 112 P CA -0.231 62.795 63.100 -0.123 0.000 0.771 112 P CB 0.870 32.471 31.700 -0.166 0.000 0.858 113 G N 1.692 110.461 108.800 -0.053 0.000 2.531 113 G HA2 0.465 4.426 3.960 0.002 0.000 0.253 113 G HA3 0.465 4.426 3.960 0.002 0.000 0.253 113 G C 0.210 175.089 174.900 -0.035 0.000 1.439 113 G CA -0.430 44.659 45.100 -0.018 0.000 1.056 113 G HN 0.612 nan 8.290 nan 0.000 0.555 114 G N -1.026 107.762 108.800 -0.020 0.000 2.544 114 G HA2 0.400 4.361 3.960 0.002 0.000 0.242 114 G HA3 0.400 4.361 3.960 0.002 0.000 0.242 114 G C 0.014 174.890 174.900 -0.041 0.000 1.247 114 G CA 0.591 45.676 45.100 -0.025 0.000 0.840 114 G HN 0.713 nan 8.290 nan 0.000 0.578 115 S N -0.267 115.401 115.700 -0.053 0.000 2.607 115 S HA 0.570 5.041 4.470 0.002 0.000 0.303 115 S C 1.451 176.005 174.600 -0.077 0.000 1.086 115 S CA 0.198 58.350 58.200 -0.079 0.000 0.995 115 S CB 1.569 64.696 63.200 -0.122 0.000 1.084 115 S HN 1.146 nan 8.310 nan 0.000 0.507 116 A N 2.940 125.710 122.820 -0.083 0.000 1.908 116 A HA -0.055 4.266 4.320 0.002 0.000 0.218 116 A C 1.789 179.309 177.584 -0.106 0.000 1.181 116 A CA 1.968 53.957 52.037 -0.079 0.000 0.627 116 A CB -1.020 17.927 19.000 -0.088 0.000 0.818 116 A HN 1.054 nan 8.150 nan 0.000 0.445 117 I N -4.627 115.835 120.570 -0.179 0.000 3.793 117 I HA 0.525 4.697 4.170 0.002 0.000 0.315 117 I C 0.698 176.738 176.117 -0.130 0.000 1.275 117 I CA 0.334 61.512 61.300 -0.203 0.000 1.214 117 I CB -0.240 37.526 38.000 -0.389 0.000 1.018 117 I HN 0.294 nan 8.210 nan 0.000 0.439 118 G N 0.074 108.825 108.800 -0.082 0.000 2.328 118 G HA2 0.390 4.352 3.960 0.002 0.000 0.299 118 G HA3 0.390 4.352 3.960 0.002 0.000 0.299 118 G C 0.087 174.993 174.900 0.011 0.000 1.435 118 G CA -0.283 44.827 45.100 0.017 0.000 0.865 118 G HN 0.024 nan 8.290 nan 0.000 0.601 119 A N -0.121 122.717 122.820 0.030 0.000 1.933 119 A HA 0.203 4.525 4.320 0.002 0.000 0.218 119 A C 1.575 179.170 177.584 0.018 0.000 1.175 119 A CA 1.869 53.914 52.037 0.015 0.000 0.628 119 A CB -0.581 18.427 19.000 0.014 0.000 0.814 119 A HN 1.478 nan 8.150 nan 0.000 0.444 120 R N -0.980 119.557 120.500 0.062 0.000 3.022 120 R HA -0.126 4.215 4.340 0.002 0.000 0.248 120 R C -2.315 173.997 176.300 0.021 0.000 0.874 120 R CA 0.380 56.526 56.100 0.077 0.000 0.626 120 R CB -1.877 28.464 30.300 0.069 0.000 1.255 120 R HN 0.558 nan 8.270 nan 0.000 0.496 121 P HA 0.049 nan 4.420 nan 0.000 0.273 121 P C 0.526 177.836 177.300 0.018 0.000 1.250 121 P CA -0.056 63.047 63.100 0.006 0.000 0.793 121 P CB 0.789 32.497 31.700 0.013 0.000 1.011 122 V N -3.200 116.717 119.914 0.005 0.000 2.991 122 V HA 0.110 4.231 4.120 0.002 0.000 0.355 122 V C 1.339 177.526 176.094 0.155 0.000 1.384 122 V CA 0.037 62.364 62.300 0.045 0.000 1.171 122 V CB -0.500 31.166 31.823 -0.261 0.000 1.190 122 V HN 0.505 nan 8.190 nan 0.000 0.540 123 D N 1.343 121.809 120.400 0.110 0.000 2.190 123 D HA -0.256 4.386 4.640 0.002 0.000 0.200 123 D C 1.720 178.119 176.300 0.165 0.000 0.992 123 D CA 1.585 55.649 54.000 0.107 0.000 0.854 123 D CB -0.017 40.812 40.800 0.048 0.000 0.936 123 D HN 0.547 nan 8.370 nan 0.000 0.462 124 L N -0.357 120.966 121.223 0.167 0.000 2.156 124 L HA -0.114 4.228 4.340 0.002 0.000 0.208 124 L C 2.530 179.518 176.870 0.196 0.000 1.095 124 L CA 0.953 55.887 54.840 0.157 0.000 0.770 124 L CB -0.519 41.571 42.059 0.051 0.000 0.914 124 L HN 0.041 nan 8.230 nan 0.000 0.439 125 H N -0.235 118.901 119.070 0.111 0.000 2.299 125 H HA -0.118 4.439 4.556 0.002 0.000 0.302 125 H C 2.274 177.665 175.328 0.104 0.000 1.078 125 H CA 1.680 57.791 56.048 0.104 0.000 1.323 125 H CB -0.177 29.624 29.762 0.065 0.000 1.381 125 H HN 0.154 nan 8.280 nan 0.000 0.498 126 I N -0.276 120.442 120.570 0.247 0.000 2.163 126 I HA -0.296 3.875 4.170 0.002 0.000 0.243 126 I C 2.119 178.332 176.117 0.159 0.000 1.085 126 I CA 1.321 62.720 61.300 0.164 0.000 1.347 126 I CB -0.282 37.798 38.000 0.135 0.000 1.044 126 I HN 0.161 nan 8.210 nan 0.000 0.408 127 F N 1.765 121.749 119.950 0.056 0.000 2.095 127 F HA -0.184 4.345 4.527 0.002 0.000 0.298 127 F C 2.285 178.104 175.800 0.031 0.000 1.104 127 F CA 1.790 59.811 58.000 0.035 0.000 1.232 127 F CB -0.905 38.110 39.000 0.025 0.000 0.987 127 F HN 0.001 nan 8.300 nan 0.000 0.475 128 G N 0.605 109.415 108.800 0.017 0.000 2.418 128 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 128 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 128 G C 1.778 176.615 174.900 -0.105 0.000 1.158 128 G CA 1.043 46.089 45.100 -0.089 0.000 0.771 128 G HN 0.444 nan 8.290 nan 0.000 0.545 129 L N -0.024 121.184 121.223 -0.024 0.000 2.141 129 L HA -0.012 4.329 4.340 0.002 0.000 0.209 129 L C 2.824 179.659 176.870 -0.058 0.000 1.094 129 L CA 0.999 55.830 54.840 -0.015 0.000 0.763 129 L CB -0.352 41.730 42.059 0.038 0.000 0.908 129 L HN 0.290 nan 8.230 nan 0.000 0.437 130 E N -0.103 120.042 120.200 -0.090 0.000 2.106 130 E HA -0.167 4.184 4.350 0.002 0.000 0.192 130 E C 2.036 178.535 176.600 -0.168 0.000 0.984 130 E CA 0.653 56.990 56.400 -0.105 0.000 0.806 130 E CB 0.149 29.797 29.700 -0.086 0.000 0.750 130 E HN 0.252 nan 8.360 nan 0.000 0.458 131 K N 0.427 120.651 120.400 -0.293 0.000 2.283 131 K HA -0.047 4.274 4.320 0.002 0.000 0.202 131 K C 1.760 178.271 176.600 -0.148 0.000 1.048 131 K CA 0.612 56.729 56.287 -0.284 0.000 0.948 131 K CB 0.069 32.310 32.500 -0.433 0.000 0.742 131 K HN 0.237 nan 8.250 nan 0.000 0.458 132 L N -0.393 120.762 121.223 -0.113 0.000 2.591 132 L HA 0.072 4.413 4.340 0.002 0.000 0.228 132 L C 1.087 177.927 176.870 -0.051 0.000 1.133 132 L CA 0.443 55.244 54.840 -0.066 0.000 0.880 132 L CB -0.010 42.021 42.059 -0.046 0.000 1.033 132 L HN 0.354 nan 8.230 nan 0.000 0.450 133 G N -0.275 108.490 108.800 -0.057 0.000 2.179 133 G HA2 -0.218 3.743 3.960 0.002 0.000 0.220 133 G HA3 -0.218 3.743 3.960 0.002 0.000 0.220 133 G C 0.372 175.254 174.900 -0.029 0.000 0.990 133 G CA -0.114 44.962 45.100 -0.040 0.000 0.646 133 G HN 0.429 nan 8.290 nan 0.000 0.517 134 A N 0.174 122.978 122.820 -0.027 0.000 2.371 134 A HA 0.638 4.960 4.320 0.002 0.000 0.257 134 A C 0.345 177.924 177.584 -0.007 0.000 1.089 134 A CA 0.582 52.611 52.037 -0.012 0.000 0.794 134 A CB 0.545 19.544 19.000 0.000 0.000 1.029 134 A HN 0.608 nan 8.150 nan 0.000 0.488 135 E N 2.004 122.205 120.200 0.001 0.000 2.156 135 E HA 0.467 4.818 4.350 0.002 0.000 0.279 135 E C -1.079 175.533 176.600 0.019 0.000 0.965 135 E CA -0.508 55.896 56.400 0.007 0.000 0.789 135 E CB 0.543 30.247 29.700 0.006 0.000 1.098 135 E HN 0.507 nan 8.360 nan 0.000 0.397 136 I N 4.093 124.679 120.570 0.025 0.000 2.474 136 I HA 0.393 4.564 4.170 0.002 0.000 0.294 136 I C -0.278 175.863 176.117 0.039 0.000 1.005 136 I CA -0.773 60.549 61.300 0.037 0.000 1.113 136 I CB 1.477 39.504 38.000 0.045 0.000 1.289 136 I HN 0.540 nan 8.210 nan 0.000 0.436 137 K N 4.847 125.273 120.400 0.044 0.000 2.435 137 K HA 0.642 4.964 4.320 0.002 0.000 0.251 137 K C -1.405 175.228 176.600 0.055 0.000 0.954 137 K CA -0.921 55.392 56.287 0.043 0.000 0.820 137 K CB 3.040 35.563 32.500 0.038 0.000 1.292 137 K HN 0.281 nan 8.250 nan 0.000 0.436 138 L N 2.399 123.653 121.223 0.051 0.000 2.316 138 L HA 0.312 4.653 4.340 0.002 0.000 0.280 138 L C -1.269 175.639 176.870 0.063 0.000 1.006 138 L CA 0.111 54.986 54.840 0.059 0.000 0.836 138 L CB 0.766 42.850 42.059 0.042 0.000 1.221 138 L HN 0.688 nan 8.230 nan 0.000 0.418 139 E N 3.373 123.629 120.200 0.093 0.000 2.260 139 E HA 0.421 4.772 4.350 0.002 0.000 0.266 139 E C -0.799 175.884 176.600 0.138 0.000 0.887 139 E CA -0.671 55.780 56.400 0.086 0.000 0.777 139 E CB 1.123 30.858 29.700 0.058 0.000 1.205 139 E HN 0.601 nan 8.360 nan 0.000 0.414 140 E N 1.589 121.852 120.200 0.106 0.000 2.513 140 E HA -0.278 4.073 4.350 0.002 0.000 0.257 140 E C 0.644 177.362 176.600 0.197 0.000 1.098 140 E CA 0.563 57.042 56.400 0.132 0.000 0.752 140 E CB -1.638 28.143 29.700 0.135 0.000 1.324 140 E HN 1.195 nan 8.360 nan 0.000 0.403 141 G N -0.983 107.873 108.800 0.092 0.000 2.159 141 G HA2 -0.355 3.606 3.960 0.002 0.000 0.256 141 G HA3 -0.355 3.606 3.960 0.002 0.000 0.256 141 G C -0.291 174.534 174.900 -0.125 0.000 0.977 141 G CA 0.607 45.691 45.100 -0.026 0.000 0.652 141 G HN 0.305 nan 8.290 nan 0.000 0.531 142 Y N -0.344 119.971 120.300 0.025 0.000 2.335 142 Y HA 0.552 5.103 4.550 0.002 0.000 0.338 142 Y C 0.610 176.527 175.900 0.028 0.000 0.977 142 Y CA -1.000 57.121 58.100 0.035 0.000 1.114 142 Y CB 2.058 40.541 38.460 0.038 0.000 1.182 142 Y HN 0.057 nan 8.280 nan 0.000 0.463 143 V N 5.187 125.173 119.914 0.120 0.000 2.455 143 V HA 0.191 4.312 4.120 0.002 0.000 0.273 143 V C -0.260 175.906 176.094 0.121 0.000 1.045 143 V CA -0.678 61.676 62.300 0.089 0.000 0.976 143 V CB 0.341 32.190 31.823 0.044 0.000 0.993 143 V HN 0.619 nan 8.190 nan 0.000 0.475 144 K N 4.394 124.855 120.400 0.101 0.000 2.394 144 K HA 0.745 5.067 4.320 0.002 0.000 0.260 144 K C -0.399 176.239 176.600 0.064 0.000 0.967 144 K CA -0.300 56.041 56.287 0.090 0.000 0.855 144 K CB 2.112 34.659 32.500 0.079 0.000 1.101 144 K HN 0.738 nan 8.250 nan 0.000 0.433 145 A N 1.934 124.791 122.820 0.062 0.000 2.325 145 A HA 0.745 5.066 4.320 0.002 0.000 0.333 145 A C -0.442 177.157 177.584 0.026 0.000 1.155 145 A CA -0.551 51.512 52.037 0.045 0.000 0.814 145 A CB 0.963 19.995 19.000 0.053 0.000 1.206 145 A HN 0.710 nan 8.150 nan 0.000 0.482 146 S N -0.178 115.530 115.700 0.013 0.000 2.550 146 S HA 0.749 5.220 4.470 0.002 0.000 0.270 146 S C -1.284 173.312 174.600 -0.007 0.000 1.145 146 S CA -0.531 57.666 58.200 -0.004 0.000 0.852 146 S CB 1.305 64.502 63.200 -0.005 0.000 1.119 146 S HN 2.072 nan 8.310 nan 0.000 0.465 147 V N 1.242 121.147 119.914 -0.016 0.000 2.924 147 V HA 0.523 4.645 4.120 0.002 0.000 0.300 147 V C -1.479 174.602 176.094 -0.021 0.000 1.227 147 V CA -0.695 61.594 62.300 -0.017 0.000 0.954 147 V CB 1.947 33.759 31.823 -0.018 0.000 1.055 147 V HN 1.109 nan 8.190 nan 0.000 0.429 148 N N 4.478 123.167 118.700 -0.018 0.000 2.415 148 N HA 0.567 5.308 4.740 0.002 0.000 0.246 148 N C 0.363 175.861 175.510 -0.019 0.000 1.078 148 N CA 0.850 53.890 53.050 -0.017 0.000 0.942 148 N CB 0.800 39.280 38.487 -0.012 0.000 1.140 148 N HN 1.399 nan 8.380 nan 0.000 0.501 149 G N 2.513 111.300 108.800 -0.023 0.000 2.499 149 G HA2 -0.250 3.711 3.960 0.002 0.000 0.232 149 G HA3 -0.250 3.711 3.960 0.002 0.000 0.232 149 G C -0.637 174.243 174.900 -0.033 0.000 1.251 149 G CA -0.701 44.384 45.100 -0.026 0.000 0.917 149 G HN 0.576 nan 8.290 nan 0.000 0.580 150 R N -0.452 120.028 120.500 -0.034 0.000 2.500 150 R HA 0.595 4.937 4.340 0.002 0.000 0.277 150 R C 0.773 177.053 176.300 -0.033 0.000 1.026 150 R CA -0.701 55.376 56.100 -0.039 0.000 1.058 150 R CB 0.728 31.003 30.300 -0.042 0.000 1.078 150 R HN 0.471 nan 8.270 nan 0.000 0.509 151 L N 1.746 122.949 121.223 -0.033 0.000 2.474 151 L HA 0.161 4.502 4.340 0.002 0.000 0.259 151 L C 0.378 177.230 176.870 -0.030 0.000 1.232 151 L CA 0.388 55.211 54.840 -0.030 0.000 0.821 151 L CB 0.155 42.198 42.059 -0.027 0.000 1.108 151 L HN 0.365 nan 8.230 nan 0.000 0.495 152 K N 0.323 120.704 120.400 -0.030 0.000 2.397 152 K HA 0.386 4.707 4.320 0.002 0.000 0.253 152 K C -0.182 176.401 176.600 -0.029 0.000 0.932 152 K CA -0.714 55.556 56.287 -0.028 0.000 0.795 152 K CB 1.861 34.346 32.500 -0.025 0.000 1.159 152 K HN 0.719 nan 8.250 nan 0.000 0.424 153 G N 1.127 109.911 108.800 -0.027 0.000 2.568 153 G HA2 0.344 4.305 3.960 0.002 0.000 0.231 153 G HA3 0.344 4.305 3.960 0.002 0.000 0.231 153 G C -0.582 174.308 174.900 -0.018 0.000 1.261 153 G CA -0.022 45.063 45.100 -0.025 0.000 0.855 153 G HN 0.636 nan 8.290 nan 0.000 0.576 154 A N 1.008 123.822 122.820 -0.009 0.000 2.612 154 A HA 0.611 4.932 4.320 0.002 0.000 0.293 154 A C -0.913 176.712 177.584 0.069 0.000 1.075 154 A CA -0.689 51.357 52.037 0.015 0.000 0.680 154 A CB 0.965 19.954 19.000 -0.018 0.000 1.279 154 A HN 0.999 nan 8.150 nan 0.000 0.411 155 H N 1.296 120.353 119.070 -0.021 0.000 2.705 155 H HA 0.603 5.160 4.556 0.002 0.000 0.291 155 H C -0.886 174.445 175.328 0.005 0.000 1.085 155 H CA -0.384 55.661 56.048 -0.006 0.000 1.357 155 H CB 0.172 29.934 29.762 0.001 0.000 1.419 155 H HN 0.482 nan 8.280 nan 0.000 0.462 156 I N 6.295 127.012 120.570 0.245 0.000 2.362 156 I HA 0.174 4.345 4.170 0.002 0.000 0.289 156 I C -0.562 175.645 176.117 0.150 0.000 0.994 156 I CA -0.995 60.388 61.300 0.137 0.000 1.158 156 I CB 1.843 39.896 38.000 0.088 0.000 1.315 156 I HN 0.300 nan 8.210 nan 0.000 0.451 157 V N 6.580 126.560 119.914 0.110 0.000 2.370 157 V HA 0.353 4.474 4.120 0.002 0.000 0.283 157 V C 0.384 176.537 176.094 0.100 0.000 1.023 157 V CA -0.620 61.721 62.300 0.069 0.000 0.857 157 V CB 1.400 33.214 31.823 -0.015 0.000 0.985 157 V HN 0.608 nan 8.190 nan 0.000 0.443 158 M N 3.074 122.716 119.600 0.070 0.000 2.162 158 M HA 0.260 4.741 4.480 0.002 0.000 0.356 158 M C 0.731 177.015 176.300 -0.026 0.000 1.303 158 M CA -0.157 55.165 55.300 0.036 0.000 1.116 158 M CB 0.656 33.277 32.600 0.035 0.000 1.632 158 M HN 0.532 nan 8.290 nan 0.000 0.469 159 D N 2.390 122.738 120.400 -0.086 0.000 2.264 159 D HA 0.011 4.652 4.640 0.002 0.000 0.208 159 D C 0.197 176.454 176.300 -0.071 0.000 0.966 159 D CA 1.349 55.289 54.000 -0.100 0.000 0.864 159 D CB 0.470 41.174 40.800 -0.161 0.000 0.933 159 D HN 0.503 nan 8.370 nan 0.000 0.499 160 K N -0.712 119.652 120.400 -0.060 0.000 2.482 160 K HA 0.456 4.777 4.320 0.002 0.000 0.257 160 K C -1.172 175.407 176.600 -0.035 0.000 0.969 160 K CA -0.847 55.409 56.287 -0.051 0.000 0.842 160 K CB 3.347 35.812 32.500 -0.057 0.000 1.359 160 K HN -0.344 nan 8.250 nan 0.000 0.441 161 V N 1.751 121.644 119.914 -0.035 0.000 2.432 161 V HA 0.224 4.345 4.120 0.002 0.000 0.271 161 V C -0.256 175.822 176.094 -0.026 0.000 1.046 161 V CA -0.029 62.258 62.300 -0.022 0.000 0.945 161 V CB 1.051 32.863 31.823 -0.018 0.000 0.992 161 V HN 0.700 nan 8.190 nan 0.000 0.471 162 S N 4.051 119.743 115.700 -0.013 0.000 2.672 162 S HA 0.421 4.893 4.470 0.002 0.000 0.291 162 S C 0.510 175.126 174.600 0.026 0.000 1.145 162 S CA -0.598 57.599 58.200 -0.005 0.000 1.013 162 S CB 1.915 65.100 63.200 -0.025 0.000 1.017 162 S HN 0.316 nan 8.310 nan 0.000 0.487 163 V N 5.387 125.344 119.914 0.072 0.000 2.270 163 V HA 0.001 4.123 4.120 0.002 0.000 0.245 163 V C 2.690 178.917 176.094 0.222 0.000 1.043 163 V CA 2.551 64.928 62.300 0.128 0.000 1.014 163 V CB -1.266 30.656 31.823 0.165 0.000 0.645 163 V HN 0.962 nan 8.190 nan 0.000 0.447 164 G N -0.362 108.615 108.800 0.295 0.000 2.459 164 G HA2 -0.249 3.713 3.960 0.002 0.000 0.217 164 G HA3 -0.249 3.713 3.960 0.002 0.000 0.217 164 G C 1.764 176.751 174.900 0.145 0.000 1.183 164 G CA 1.172 46.575 45.100 0.505 0.000 0.776 164 G HN 0.620 nan 8.290 nan 0.000 0.552 165 A N -0.008 122.556 122.820 -0.426 0.000 1.933 165 A HA 0.015 4.337 4.320 0.002 0.000 0.218 165 A C 2.520 180.016 177.584 -0.147 0.000 1.175 165 A CA 2.392 54.060 52.037 -0.614 0.000 0.628 165 A CB -0.869 17.884 19.000 -0.411 0.000 0.814 165 A HN 0.306 nan 8.150 nan 0.000 0.444 166 T N -0.351 114.178 114.554 -0.041 0.000 2.746 166 T HA -0.122 4.229 4.350 0.002 0.000 0.267 166 T C 1.884 176.586 174.700 0.003 0.000 1.039 166 T CA 1.585 63.684 62.100 -0.002 0.000 1.142 166 T CB -0.397 68.478 68.868 0.012 0.000 0.866 166 T HN 0.160 nan 8.240 nan 0.000 0.444 167 V N 1.301 121.232 119.914 0.029 0.000 2.261 167 V HA -0.203 3.919 4.120 0.002 0.000 0.246 167 V C 2.811 178.892 176.094 -0.022 0.000 1.047 167 V CA 2.069 64.329 62.300 -0.067 0.000 1.015 167 V CB -1.135 30.520 31.823 -0.281 0.000 0.642 167 V HN 0.500 nan 8.190 nan 0.000 0.446 168 T N 0.351 114.987 114.554 0.137 0.000 2.635 168 T HA -0.201 4.150 4.350 0.002 0.000 0.267 168 T C 1.762 176.515 174.700 0.088 0.000 1.040 168 T CA 2.173 64.390 62.100 0.194 0.000 1.156 168 T CB -0.315 68.751 68.868 0.331 0.000 0.863 168 T HN 0.350 nan 8.240 nan 0.000 0.430 169 I N 0.613 121.210 120.570 0.046 0.000 2.202 169 I HA -0.163 4.008 4.170 0.002 0.000 0.242 169 I C 2.608 178.729 176.117 0.008 0.000 1.091 169 I CA 1.332 62.646 61.300 0.024 0.000 1.368 169 I CB -0.444 37.565 38.000 0.014 0.000 1.058 169 I HN 0.278 nan 8.210 nan 0.000 0.410 170 M N 0.507 120.105 119.600 -0.003 0.000 2.108 170 M HA -0.217 4.264 4.480 0.002 0.000 0.261 170 M C 2.427 178.714 176.300 -0.021 0.000 1.066 170 M CA 1.918 57.207 55.300 -0.018 0.000 1.107 170 M CB -0.026 32.557 32.600 -0.029 0.000 1.356 170 M HN 0.117 nan 8.290 nan 0.000 0.406 171 S N 0.802 116.492 115.700 -0.017 0.000 2.348 171 S HA -0.073 4.398 4.470 0.002 0.000 0.221 171 S C 2.041 176.644 174.600 0.005 0.000 1.033 171 S CA 1.384 59.580 58.200 -0.008 0.000 1.010 171 S CB -0.568 62.633 63.200 0.001 0.000 0.891 171 S HN 0.704 nan 8.310 nan 0.000 0.442 172 A N 1.440 124.272 122.820 0.021 0.000 1.933 172 A HA 0.133 4.455 4.320 0.002 0.000 0.218 172 A C 2.300 179.880 177.584 -0.006 0.000 1.175 172 A CA 1.627 53.675 52.037 0.018 0.000 0.628 172 A CB -0.965 18.055 19.000 0.033 0.000 0.814 172 A HN 0.514 nan 8.150 nan 0.000 0.444 173 A N -0.075 122.738 122.820 -0.012 0.000 2.019 173 A HA -0.080 4.241 4.320 0.002 0.000 0.219 173 A C 2.340 179.904 177.584 -0.033 0.000 1.164 173 A CA 2.259 54.283 52.037 -0.023 0.000 0.644 173 A CB -1.380 17.607 19.000 -0.022 0.000 0.805 173 A HN 0.811 nan 8.150 nan 0.000 0.449 174 T N -2.104 112.428 114.554 -0.036 0.000 2.897 174 T HA -0.031 4.321 4.350 0.002 0.000 0.271 174 T C 1.328 175.997 174.700 -0.052 0.000 1.084 174 T CA 1.491 63.562 62.100 -0.049 0.000 1.123 174 T CB -0.324 68.508 68.868 -0.060 0.000 0.865 174 T HN 0.330 nan 8.240 nan 0.000 0.496 175 L N 0.283 121.476 121.223 -0.049 0.000 2.728 175 L HA 0.533 4.874 4.340 0.002 0.000 0.238 175 L C 1.419 178.259 176.870 -0.051 0.000 1.143 175 L CA -0.509 54.296 54.840 -0.057 0.000 0.937 175 L CB -0.208 41.809 42.059 -0.071 0.000 1.225 175 L HN 0.300 nan 8.230 nan 0.000 0.507 176 A N 0.418 123.213 122.820 -0.042 0.000 2.296 176 A HA 0.152 4.473 4.320 0.002 0.000 0.264 176 A C 0.202 177.764 177.584 -0.037 0.000 1.097 176 A CA -0.184 51.830 52.037 -0.037 0.000 0.811 176 A CB 0.281 19.262 19.000 -0.032 0.000 1.072 176 A HN 0.263 nan 8.150 nan 0.000 0.495 177 E N 0.006 120.186 120.200 -0.033 0.000 1.996 177 E HA 0.455 4.807 4.350 0.002 0.000 0.280 177 E C 0.586 177.169 176.600 -0.028 0.000 1.092 177 E CA 0.816 57.198 56.400 -0.031 0.000 0.862 177 E CB -0.149 29.534 29.700 -0.028 0.000 1.066 177 E HN 1.364 nan 8.360 nan 0.000 0.396 178 G N 2.829 111.611 108.800 -0.029 0.000 2.428 178 G HA2 -0.188 3.774 3.960 0.002 0.000 0.202 178 G HA3 -0.188 3.774 3.960 0.002 0.000 0.202 178 G C -0.513 174.367 174.900 -0.032 0.000 1.247 178 G CA -0.489 44.594 45.100 -0.029 0.000 1.020 178 G HN 0.467 nan 8.290 nan 0.000 0.529 179 T N 1.255 115.789 114.554 -0.034 0.000 2.799 179 T HA 0.665 5.016 4.350 0.002 0.000 0.286 179 T C 0.013 174.688 174.700 -0.043 0.000 0.973 179 T CA 0.321 62.396 62.100 -0.042 0.000 1.035 179 T CB 1.480 70.318 68.868 -0.050 0.000 0.932 179 T HN 0.721 nan 8.240 nan 0.000 0.469 180 T N 3.750 118.278 114.554 -0.044 0.000 2.829 180 T HA 0.637 4.988 4.350 0.002 0.000 0.280 180 T C -0.324 174.345 174.700 -0.050 0.000 0.999 180 T CA -0.512 61.567 62.100 -0.036 0.000 0.983 180 T CB 0.625 69.478 68.868 -0.025 0.000 0.968 180 T HN 0.419 nan 8.240 nan 0.000 0.446 181 I N 3.556 124.096 120.570 -0.049 0.000 2.466 181 I HA 0.453 4.624 4.170 0.002 0.000 0.289 181 I C -0.663 175.482 176.117 0.046 0.000 1.026 181 I CA -0.808 60.448 61.300 -0.074 0.000 1.078 181 I CB 1.921 39.735 38.000 -0.310 0.000 1.249 181 I HN 0.472 nan 8.210 nan 0.000 0.429 182 I N 5.740 126.335 120.570 0.041 0.000 2.330 182 I HA 0.264 4.435 4.170 0.002 0.000 0.286 182 I C 0.117 176.285 176.117 0.085 0.000 1.025 182 I CA -0.510 60.834 61.300 0.073 0.000 1.197 182 I CB 0.825 38.849 38.000 0.039 0.000 1.358 182 I HN 0.460 nan 8.210 nan 0.000 0.467 183 E N 5.038 125.318 120.200 0.134 0.000 2.283 183 E HA 0.117 4.468 4.350 0.002 0.000 0.278 183 E C 0.080 176.721 176.600 0.068 0.000 1.027 183 E CA -0.263 56.206 56.400 0.115 0.000 0.843 183 E CB 1.154 30.948 29.700 0.156 0.000 1.062 183 E HN 0.555 nan 8.360 nan 0.000 0.401 184 N N 0.911 119.639 118.700 0.047 0.000 2.783 184 N HA -0.208 4.533 4.740 0.002 0.000 0.247 184 N C -1.236 174.290 175.510 0.026 0.000 1.089 184 N CA 0.785 53.852 53.050 0.028 0.000 0.690 184 N CB -0.906 37.592 38.487 0.018 0.000 0.991 184 N HN 0.541 nan 8.380 nan 0.000 0.552 185 A N 0.003 122.840 122.820 0.029 0.000 2.332 185 A HA 0.732 5.053 4.320 0.002 0.000 0.258 185 A C 0.901 178.499 177.584 0.023 0.000 1.087 185 A CA 0.119 52.171 52.037 0.025 0.000 0.802 185 A CB 0.380 19.394 19.000 0.022 0.000 1.042 185 A HN 0.897 nan 8.150 nan 0.000 0.489 186 A N 0.616 123.450 122.820 0.022 0.000 2.425 186 A HA 0.472 4.794 4.320 0.002 0.000 0.249 186 A C 0.733 178.339 177.584 0.037 0.000 1.084 186 A CA -0.227 51.829 52.037 0.030 0.000 0.781 186 A CB 0.002 19.022 19.000 0.034 0.000 1.019 186 A HN 0.768 nan 8.150 nan 0.000 0.490 187 R N 0.584 121.121 120.500 0.061 0.000 2.393 187 R HA 0.161 4.502 4.340 0.002 0.000 0.244 187 R C -0.369 175.985 176.300 0.090 0.000 0.920 187 R CA -0.055 56.096 56.100 0.085 0.000 1.076 187 R CB 0.093 30.462 30.300 0.115 0.000 1.119 187 R HN 0.788 nan 8.270 nan 0.000 0.524 188 E N 0.985 121.201 120.200 0.026 0.000 2.481 188 E HA -0.045 4.307 4.350 0.002 0.000 0.263 188 E C -1.611 174.870 176.600 -0.198 0.000 0.992 188 E CA -1.073 55.242 56.400 -0.142 0.000 0.938 188 E CB 0.448 30.105 29.700 -0.071 0.000 0.933 188 E HN -0.076 nan 8.360 nan 0.000 0.453 189 P HA -0.198 nan 4.420 nan 0.000 0.217 189 P C 0.271 177.508 177.300 -0.106 0.000 1.151 189 P CA 1.290 64.261 63.100 -0.214 0.000 0.849 189 P CB 0.276 31.823 31.700 -0.254 0.000 0.787 190 E N -1.286 118.853 120.200 -0.102 0.000 2.268 190 E HA -0.096 4.256 4.350 0.002 0.000 0.195 190 E C 1.878 178.438 176.600 -0.065 0.000 0.995 190 E CA 0.659 57.021 56.400 -0.064 0.000 0.836 190 E CB -0.723 28.950 29.700 -0.045 0.000 0.763 190 E HN 0.217 nan 8.360 nan 0.000 0.491 191 I N 0.031 120.567 120.570 -0.058 0.000 2.286 191 I HA -0.163 4.008 4.170 0.002 0.000 0.245 191 I C 2.067 178.159 176.117 -0.042 0.000 1.104 191 I CA 0.788 62.058 61.300 -0.050 0.000 1.397 191 I CB -0.914 37.071 38.000 -0.025 0.000 1.072 191 I HN 0.016 nan 8.210 nan 0.000 0.417 192 V N 1.090 120.986 119.914 -0.029 0.000 2.295 192 V HA -0.295 3.826 4.120 0.002 0.000 0.246 192 V C 2.291 178.390 176.094 0.009 0.000 1.049 192 V CA 2.174 64.469 62.300 -0.008 0.000 1.024 192 V CB -0.654 31.169 31.823 -0.000 0.000 0.648 192 V HN 0.305 nan 8.190 nan 0.000 0.447 193 D N -0.326 120.084 120.400 0.017 0.000 2.117 193 D HA -0.137 4.504 4.640 0.002 0.000 0.197 193 D C 2.260 178.535 176.300 -0.041 0.000 0.987 193 D CA 1.701 55.746 54.000 0.075 0.000 0.829 193 D CB -0.115 40.741 40.800 0.094 0.000 0.961 193 D HN 0.396 nan 8.370 nan 0.000 0.460 194 T N -0.436 114.071 114.554 -0.078 0.000 2.821 194 T HA -0.066 4.285 4.350 0.002 0.000 0.267 194 T C 1.898 176.558 174.700 -0.066 0.000 1.046 194 T CA 1.247 63.286 62.100 -0.102 0.000 1.139 194 T CB -0.327 68.455 68.868 -0.144 0.000 0.871 194 T HN 0.204 nan 8.240 nan 0.000 0.454 195 A N 2.432 125.213 122.820 -0.065 0.000 1.898 195 A HA -0.123 4.198 4.320 0.002 0.000 0.216 195 A C 2.232 179.765 177.584 -0.084 0.000 1.181 195 A CA 1.349 53.348 52.037 -0.062 0.000 0.620 195 A CB -0.524 18.452 19.000 -0.040 0.000 0.819 195 A HN 0.367 nan 8.150 nan 0.000 0.442 196 N N -1.038 117.619 118.700 -0.072 0.000 2.331 196 N HA -0.094 4.647 4.740 0.002 0.000 0.180 196 N C 1.351 176.707 175.510 -0.256 0.000 1.019 196 N CA 1.273 54.292 53.050 -0.051 0.000 0.881 196 N CB -0.540 38.030 38.487 0.139 0.000 0.972 196 N HN 0.569 nan 8.380 nan 0.000 0.435 197 F N 1.787 121.286 119.950 -0.751 0.000 2.113 197 F HA -0.003 4.525 4.527 0.002 0.000 0.297 197 F C 1.946 177.509 175.800 -0.396 0.000 1.103 197 F CA 1.001 58.411 58.000 -0.984 0.000 1.248 197 F CB -0.480 37.969 39.000 -0.919 0.000 0.999 197 F HN -0.107 nan 8.300 nan 0.000 0.475 198 L N -0.357 120.604 121.223 -0.436 0.000 2.083 198 L HA -0.211 4.130 4.340 0.002 0.000 0.209 198 L C 2.393 179.070 176.870 -0.322 0.000 1.083 198 L CA 1.007 55.598 54.840 -0.416 0.000 0.752 198 L CB -0.912 41.040 42.059 -0.178 0.000 0.899 198 L HN 0.037 nan 8.230 nan 0.000 0.433 199 V N 0.050 119.832 119.914 -0.220 0.000 2.515 199 V HA -0.246 3.875 4.120 0.002 0.000 0.250 199 V C 2.658 178.666 176.094 -0.144 0.000 1.058 199 V CA 1.648 63.863 62.300 -0.141 0.000 1.064 199 V CB -0.707 31.069 31.823 -0.077 0.000 0.675 199 V HN 0.480 nan 8.190 nan 0.000 0.461 200 A N -0.466 122.243 122.820 -0.185 0.000 2.014 200 A HA -0.015 4.306 4.320 0.002 0.000 0.218 200 A C 2.053 179.524 177.584 -0.188 0.000 1.163 200 A CA 1.131 53.093 52.037 -0.125 0.000 0.652 200 A CB -0.344 18.637 19.000 -0.030 0.000 0.808 200 A HN 0.531 nan 8.150 nan 0.000 0.449 201 L N -1.723 119.305 121.223 -0.325 0.000 2.554 201 L HA 0.185 4.526 4.340 0.002 0.000 0.226 201 L C 1.640 178.406 176.870 -0.175 0.000 1.137 201 L CA 0.688 55.358 54.840 -0.284 0.000 0.863 201 L CB -0.058 41.752 42.059 -0.416 0.000 0.985 201 L HN 0.576 nan 8.230 nan 0.000 0.451 202 G N -0.607 108.102 108.800 -0.151 0.000 2.205 202 G HA2 -0.140 3.821 3.960 0.002 0.000 0.180 202 G HA3 -0.140 3.821 3.960 0.002 0.000 0.180 202 G C 0.327 175.168 174.900 -0.098 0.000 1.004 202 G CA -0.186 44.852 45.100 -0.103 0.000 0.670 202 G HN 0.392 nan 8.290 nan 0.000 0.496 203 A N 0.104 122.851 122.820 -0.122 0.000 2.346 203 A HA 0.686 5.007 4.320 0.002 0.000 0.252 203 A C 0.413 177.949 177.584 -0.079 0.000 1.089 203 A CA 0.285 52.262 52.037 -0.101 0.000 0.797 203 A CB 0.399 19.328 19.000 -0.118 0.000 1.047 203 A HN 0.331 nan 8.150 nan 0.000 0.494 204 K N 1.016 121.377 120.400 -0.064 0.000 2.464 204 K HA 0.575 4.896 4.320 0.002 0.000 0.252 204 K C -1.480 175.091 176.600 -0.049 0.000 1.000 204 K CA 0.298 56.554 56.287 -0.052 0.000 0.951 204 K CB 1.001 33.474 32.500 -0.045 0.000 1.183 204 K HN 0.577 nan 8.250 nan 0.000 0.445 205 I N 1.577 122.120 120.570 -0.046 0.000 2.619 205 I HA 0.296 4.467 4.170 0.002 0.000 0.292 205 I C -0.340 175.759 176.117 -0.031 0.000 1.100 205 I CA -0.682 60.594 61.300 -0.040 0.000 1.043 205 I CB 2.309 40.282 38.000 -0.046 0.000 1.239 205 I HN 0.554 nan 8.210 nan 0.000 0.420 206 S N 2.337 118.021 115.700 -0.027 0.000 2.618 206 S HA 0.839 5.311 4.470 0.002 0.000 0.277 206 S C 0.308 174.898 174.600 -0.017 0.000 1.138 206 S CA -0.027 58.160 58.200 -0.020 0.000 0.844 206 S CB 2.019 65.207 63.200 -0.021 0.000 1.127 206 S HN 1.333 nan 8.310 nan 0.000 0.474 207 G N 0.672 109.466 108.800 -0.010 0.000 2.225 207 G HA2 -0.263 3.698 3.960 0.002 0.000 0.254 207 G HA3 -0.263 3.698 3.960 0.002 0.000 0.254 207 G C 0.152 175.052 174.900 -0.000 0.000 0.988 207 G CA 0.187 45.283 45.100 -0.006 0.000 0.625 207 G HN 1.303 nan 8.290 nan 0.000 0.527 208 Q N 0.402 120.200 119.800 -0.003 0.000 2.269 208 Q HA 0.368 4.710 4.340 0.002 0.000 0.300 208 Q C 1.170 177.176 176.000 0.010 0.000 1.070 208 Q CA 1.184 56.987 55.803 -0.000 0.000 0.957 208 Q CB 0.779 29.513 28.738 -0.006 0.000 1.131 208 Q HN 1.867 nan 8.270 nan 0.000 0.377 209 G N 2.398 111.209 108.800 0.018 0.000 2.218 209 G HA2 -0.274 3.688 3.960 0.002 0.000 0.216 209 G HA3 -0.274 3.688 3.960 0.002 0.000 0.216 209 G C 0.245 175.169 174.900 0.041 0.000 0.994 209 G CA 0.213 45.335 45.100 0.036 0.000 0.637 209 G HN 1.118 nan 8.290 nan 0.000 0.505 210 T N -1.463 113.107 114.554 0.026 0.000 2.938 210 T HA 0.550 4.901 4.350 0.002 0.000 0.285 210 T C 0.868 175.581 174.700 0.022 0.000 1.028 210 T CA 0.604 62.717 62.100 0.022 0.000 1.005 210 T CB 1.648 70.524 68.868 0.014 0.000 1.157 210 T HN 0.213 nan 8.240 nan 0.000 0.550 211 D N -0.845 119.567 120.400 0.020 0.000 2.378 211 D HA 0.025 4.666 4.640 0.002 0.000 0.227 211 D C 0.616 176.931 176.300 0.026 0.000 1.012 211 D CA -0.030 53.983 54.000 0.022 0.000 0.905 211 D CB -0.346 40.465 40.800 0.019 0.000 0.895 211 D HN 0.754 nan 8.370 nan 0.000 0.532 212 R N -0.028 120.484 120.500 0.021 0.000 2.510 212 R HA 0.529 4.870 4.340 0.002 0.000 0.294 212 R C -1.447 174.856 176.300 0.005 0.000 1.056 212 R CA -0.692 55.420 56.100 0.020 0.000 0.918 212 R CB 0.779 31.093 30.300 0.022 0.000 1.187 212 R HN -0.036 nan 8.270 nan 0.000 0.437 213 I N 2.794 123.366 120.570 0.003 0.000 2.412 213 I HA 0.353 4.525 4.170 0.002 0.000 0.296 213 I C -0.327 175.776 176.117 -0.023 0.000 0.987 213 I CA -0.909 60.386 61.300 -0.009 0.000 1.180 213 I CB 2.466 40.462 38.000 -0.006 0.000 1.340 213 I HN 0.662 nan 8.210 nan 0.000 0.455 214 T N 6.940 121.475 114.554 -0.032 0.000 2.786 214 T HA 0.606 4.958 4.350 0.002 0.000 0.283 214 T C -0.373 174.302 174.700 -0.041 0.000 0.992 214 T CA -0.318 61.754 62.100 -0.046 0.000 0.954 214 T CB 0.912 69.747 68.868 -0.054 0.000 0.934 214 T HN 0.163 nan 8.240 nan 0.000 0.440 215 I N 2.724 123.269 120.570 -0.042 0.000 2.441 215 I HA 0.438 4.609 4.170 0.002 0.000 0.295 215 I C 0.144 176.236 176.117 -0.043 0.000 0.994 215 I CA -0.703 60.572 61.300 -0.041 0.000 1.144 215 I CB 1.871 39.849 38.000 -0.037 0.000 1.314 215 I HN 0.408 nan 8.210 nan 0.000 0.445 216 E N 3.672 123.846 120.200 -0.043 0.000 2.101 216 E HA 0.497 4.848 4.350 0.002 0.000 0.260 216 E C 0.172 176.747 176.600 -0.042 0.000 0.897 216 E CA -0.263 56.112 56.400 -0.041 0.000 0.744 216 E CB 1.163 30.839 29.700 -0.039 0.000 1.140 216 E HN 0.740 nan 8.360 nan 0.000 0.419 217 G N 1.836 110.612 108.800 -0.041 0.000 2.568 217 G HA2 0.291 4.252 3.960 0.002 0.000 0.231 217 G HA3 0.291 4.252 3.960 0.002 0.000 0.231 217 G C -0.002 174.872 174.900 -0.044 0.000 1.261 217 G CA 0.272 45.346 45.100 -0.043 0.000 0.855 217 G HN 0.462 nan 8.290 nan 0.000 0.576 218 V N -1.308 118.577 119.914 -0.049 0.000 3.160 218 V HA 0.590 4.711 4.120 0.002 0.000 0.310 218 V C 0.834 176.897 176.094 -0.052 0.000 1.181 218 V CA -0.776 61.495 62.300 -0.049 0.000 1.047 218 V CB 1.983 33.774 31.823 -0.053 0.000 1.068 218 V HN 0.625 nan 8.190 nan 0.000 0.441 219 E N 1.494 121.665 120.200 -0.049 0.000 2.031 219 E HA -0.075 4.276 4.350 0.002 0.000 0.193 219 E C 0.663 177.225 176.600 -0.063 0.000 0.994 219 E CA 2.010 58.380 56.400 -0.051 0.000 0.800 219 E CB -0.044 29.631 29.700 -0.042 0.000 0.752 219 E HN 0.830 nan 8.360 nan 0.000 0.447 220 R N -1.176 119.286 120.500 -0.062 0.000 2.733 220 R HA 0.584 4.926 4.340 0.002 0.000 0.272 220 R C -1.104 175.153 176.300 -0.071 0.000 1.029 220 R CA -0.714 55.343 56.100 -0.071 0.000 0.888 220 R CB 0.840 31.102 30.300 -0.065 0.000 1.251 220 R HN -0.137 nan 8.270 nan 0.000 0.464 221 L N 1.020 122.197 121.223 -0.077 0.000 2.346 221 L HA 0.611 4.952 4.340 0.002 0.000 0.276 221 L C 0.560 177.388 176.870 -0.071 0.000 1.006 221 L CA -0.722 54.065 54.840 -0.089 0.000 0.817 221 L CB 1.994 43.986 42.059 -0.113 0.000 1.272 221 L HN 1.000 nan 8.230 nan 0.000 0.421 222 G N 1.292 110.048 108.800 -0.073 0.000 3.137 222 G HA2 0.603 4.564 3.960 0.002 0.000 0.163 222 G HA3 0.603 4.564 3.960 0.002 0.000 0.163 222 G C 0.056 174.930 174.900 -0.043 0.000 1.602 222 G CA 0.306 45.379 45.100 -0.046 0.000 1.067 222 G HN 0.727 nan 8.290 nan 0.000 0.568 223 G N -2.842 105.943 108.800 -0.026 0.000 3.251 223 G HA2 0.726 4.687 3.960 0.002 0.000 0.248 223 G HA3 0.726 4.687 3.960 0.002 0.000 0.248 223 G C -0.213 174.682 174.900 -0.009 0.000 1.320 223 G CA 0.029 45.128 45.100 -0.002 0.000 0.982 223 G HN 1.850 nan 8.290 nan 0.000 0.575 224 G N -2.805 106.019 108.800 0.039 0.000 2.362 224 G HA2 0.487 4.449 3.960 0.002 0.000 0.288 224 G HA3 0.487 4.449 3.960 0.002 0.000 0.288 224 G C -1.871 173.092 174.900 0.105 0.000 1.305 224 G CA 0.036 45.168 45.100 0.053 0.000 0.910 224 G HN 1.343 nan 8.290 nan 0.000 0.518 225 V N 0.242 120.225 119.914 0.115 0.000 2.540 225 V HA 0.771 4.892 4.120 0.002 0.000 0.302 225 V C -1.058 175.154 176.094 0.197 0.000 1.035 225 V CA -0.654 61.718 62.300 0.120 0.000 0.873 225 V CB 1.558 33.417 31.823 0.061 0.000 0.992 225 V HN 0.987 nan 8.190 nan 0.000 0.428 226 Y N 3.637 123.977 120.300 0.066 0.000 2.470 226 Y HA 0.581 5.132 4.550 0.002 0.000 0.341 226 Y C -0.289 175.609 175.900 -0.004 0.000 1.021 226 Y CA -0.839 57.312 58.100 0.084 0.000 1.025 226 Y CB 1.791 40.419 38.460 0.280 0.000 1.266 226 Y HN 0.631 nan 8.280 nan 0.000 0.448 227 R N 5.421 125.591 120.500 -0.552 0.000 2.229 227 R HA 0.570 4.912 4.340 0.002 0.000 0.332 227 R C -1.345 174.757 176.300 -0.329 0.000 0.989 227 R CA -0.544 55.353 56.100 -0.338 0.000 0.842 227 R CB 0.778 30.915 30.300 -0.272 0.000 1.119 227 R HN 0.620 nan 8.270 nan 0.000 0.456 228 V N 6.454 126.309 119.914 -0.099 0.000 2.788 228 V HA -0.054 4.067 4.120 0.002 0.000 0.307 228 V C 1.056 177.122 176.094 -0.046 0.000 1.069 228 V CA 0.091 62.385 62.300 -0.009 0.000 1.173 228 V CB 0.390 32.196 31.823 -0.027 0.000 0.925 228 V HN 0.685 nan 8.190 nan 0.000 0.492 229 L N 5.422 126.640 121.223 -0.007 0.000 2.472 229 L HA 0.528 4.869 4.340 0.002 0.000 0.260 229 L C -2.372 174.485 176.870 -0.021 0.000 1.209 229 L CA -1.587 53.240 54.840 -0.022 0.000 0.817 229 L CB 0.069 42.126 42.059 -0.003 0.000 1.106 229 L HN 0.353 nan 8.230 nan 0.000 0.479 230 P HA 0.003 nan 4.420 nan 0.000 0.269 230 P C -1.198 176.098 177.300 -0.006 0.000 1.209 230 P CA -0.006 63.090 63.100 -0.006 0.000 0.776 230 P CB 0.352 32.055 31.700 0.004 0.000 0.876 231 D N 2.658 123.059 120.400 0.001 0.000 2.359 231 D HA -0.006 4.635 4.640 0.002 0.000 0.250 231 D C 1.334 177.638 176.300 0.007 0.000 1.264 231 D CA -0.070 53.924 54.000 -0.010 0.000 0.911 231 D CB 0.488 41.274 40.800 -0.023 0.000 1.056 231 D HN 0.337 nan 8.370 nan 0.000 0.499 232 R N 3.643 124.138 120.500 -0.008 0.000 2.152 232 R HA -0.114 4.227 4.340 0.002 0.000 0.232 232 R C 1.332 177.638 176.300 0.010 0.000 1.117 232 R CA 0.571 56.672 56.100 0.002 0.000 0.981 232 R CB -0.101 30.186 30.300 -0.022 0.000 0.870 232 R HN 0.333 nan 8.270 nan 0.000 0.451 233 I N 1.726 122.289 120.570 -0.013 0.000 2.406 233 I HA -0.111 4.060 4.170 0.002 0.000 0.249 233 I C 2.520 178.654 176.117 0.028 0.000 1.122 233 I CA 1.124 62.419 61.300 -0.009 0.000 1.431 233 I CB -1.194 36.779 38.000 -0.045 0.000 1.087 233 I HN 0.352 nan 8.210 nan 0.000 0.424 234 E N 1.045 121.249 120.200 0.008 0.000 2.072 234 E HA -0.188 4.163 4.350 0.002 0.000 0.191 234 E C 2.024 178.781 176.600 0.262 0.000 0.985 234 E CA 1.891 58.364 56.400 0.122 0.000 0.801 234 E CB 0.173 29.953 29.700 0.133 0.000 0.750 234 E HN 0.369 nan 8.360 nan 0.000 0.452 235 T N -0.073 114.604 114.554 0.204 0.000 2.684 235 T HA -0.153 4.198 4.350 0.002 0.000 0.267 235 T C 1.736 176.556 174.700 0.200 0.000 1.036 235 T CA 1.389 63.620 62.100 0.220 0.000 1.148 235 T CB -0.701 68.244 68.868 0.129 0.000 0.863 235 T HN 0.419 nan 8.240 nan 0.000 0.436 236 G N 0.885 109.768 108.800 0.138 0.000 2.422 236 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 236 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 236 G C 1.711 176.689 174.900 0.129 0.000 1.146 236 G CA 1.444 46.628 45.100 0.141 0.000 0.769 236 G HN 0.464 nan 8.290 nan 0.000 0.547 237 T N 0.912 115.517 114.554 0.084 0.000 2.708 237 T HA -0.084 4.267 4.350 0.002 0.000 0.266 237 T C 2.034 176.655 174.700 -0.131 0.000 1.037 237 T CA 1.067 63.142 62.100 -0.041 0.000 1.146 237 T CB -0.353 68.471 68.868 -0.074 0.000 0.865 237 T HN 0.293 nan 8.240 nan 0.000 0.435 238 F N 0.705 120.713 119.950 0.096 0.000 2.325 238 F HA 0.145 4.673 4.527 0.002 0.000 0.299 238 F C 2.062 177.886 175.800 0.040 0.000 1.090 238 F CA 0.460 58.495 58.000 0.059 0.000 1.392 238 F CB -0.403 38.638 39.000 0.069 0.000 1.053 238 F HN 0.069 nan 8.300 nan 0.000 0.521 239 L N -0.903 120.441 121.223 0.201 0.000 2.072 239 L HA -0.170 4.171 4.340 0.002 0.000 0.205 239 L C 2.308 179.210 176.870 0.053 0.000 1.079 239 L CA 0.606 55.524 54.840 0.130 0.000 0.752 239 L CB -0.678 41.461 42.059 0.133 0.000 0.906 239 L HN -0.053 nan 8.230 nan 0.000 0.436 240 V N 0.099 120.018 119.914 0.008 0.000 2.490 240 V HA -0.268 3.853 4.120 0.002 0.000 0.250 240 V C 2.744 178.795 176.094 -0.072 0.000 1.061 240 V CA 1.616 63.853 62.300 -0.104 0.000 1.064 240 V CB -0.813 30.909 31.823 -0.169 0.000 0.670 240 V HN 0.468 nan 8.190 nan 0.000 0.461 241 A N 0.189 122.995 122.820 -0.024 0.000 1.883 241 A HA -0.172 4.149 4.320 0.002 0.000 0.217 241 A C 2.433 180.023 177.584 0.011 0.000 1.186 241 A CA 2.272 54.306 52.037 -0.005 0.000 0.624 241 A CB -0.768 18.266 19.000 0.056 0.000 0.822 241 A HN 0.571 nan 8.150 nan 0.000 0.444 242 A N -0.365 122.475 122.820 0.034 0.000 1.898 242 A HA 0.231 4.552 4.320 0.002 0.000 0.216 242 A C 2.493 180.071 177.584 -0.010 0.000 1.181 242 A CA 1.913 53.961 52.037 0.019 0.000 0.620 242 A CB -0.988 18.031 19.000 0.032 0.000 0.819 242 A HN 1.085 nan 8.150 nan 0.000 0.442 243 A N 0.478 123.284 122.820 -0.023 0.000 1.972 243 A HA -0.052 4.270 4.320 0.002 0.000 0.219 243 A C 2.017 179.570 177.584 -0.052 0.000 1.169 243 A CA 1.485 53.497 52.037 -0.042 0.000 0.635 243 A CB -0.740 18.219 19.000 -0.069 0.000 0.810 243 A HN 0.983 nan 8.150 nan 0.000 0.446 244 I N -2.928 117.605 120.570 -0.061 0.000 3.728 244 I HA 0.109 4.280 4.170 0.002 0.000 0.307 244 I C 1.375 177.470 176.117 -0.036 0.000 1.276 244 I CA 1.129 62.394 61.300 -0.058 0.000 1.285 244 I CB 0.237 38.193 38.000 -0.073 0.000 1.038 244 I HN 0.225 nan 8.210 nan 0.000 0.445 245 S N -0.072 115.612 115.700 -0.026 0.000 2.650 245 S HA 0.452 4.923 4.470 0.002 0.000 0.240 245 S C 1.491 176.083 174.600 -0.012 0.000 1.007 245 S CA 0.153 58.343 58.200 -0.017 0.000 0.984 245 S CB 0.276 63.469 63.200 -0.012 0.000 0.910 245 S HN 0.721 nan 8.310 nan 0.000 0.509 246 G N 0.498 109.290 108.800 -0.013 0.000 2.166 246 G HA2 -0.169 3.792 3.960 0.002 0.000 0.260 246 G HA3 -0.169 3.792 3.960 0.002 0.000 0.260 246 G C 0.543 175.433 174.900 -0.017 0.000 0.986 246 G CA 0.121 45.216 45.100 -0.009 0.000 0.683 246 G HN 1.102 nan 8.290 nan 0.000 0.527 247 G N -0.913 107.876 108.800 -0.020 0.000 2.532 247 G HA2 0.626 4.587 3.960 0.002 0.000 0.291 247 G HA3 0.626 4.587 3.960 0.002 0.000 0.291 247 G C -0.231 174.641 174.900 -0.045 0.000 1.349 247 G CA 0.017 45.101 45.100 -0.026 0.000 1.038 247 G HN 0.604 nan 8.290 nan 0.000 0.518 248 K N -0.865 119.509 120.400 -0.043 0.000 2.378 248 K HA 0.651 4.972 4.320 0.002 0.000 0.252 248 K C -1.611 174.978 176.600 -0.020 0.000 0.931 248 K CA -0.717 55.539 56.287 -0.052 0.000 0.794 248 K CB 1.988 34.441 32.500 -0.078 0.000 1.181 248 K HN 0.424 nan 8.250 nan 0.000 0.425 249 I N 3.241 123.812 120.570 0.002 0.000 2.894 249 I HA 0.428 4.600 4.170 0.002 0.000 0.302 249 I C -1.685 174.453 176.117 0.035 0.000 1.188 249 I CA -1.042 60.267 61.300 0.015 0.000 1.014 249 I CB 2.372 40.398 38.000 0.044 0.000 1.242 249 I HN 0.404 nan 8.210 nan 0.000 0.430 250 V N 5.491 125.415 119.914 0.018 0.000 2.444 250 V HA 0.338 4.460 4.120 0.002 0.000 0.294 250 V C -0.630 175.494 176.094 0.049 0.000 1.022 250 V CA -0.557 61.773 62.300 0.051 0.000 0.850 250 V CB 1.364 33.171 31.823 -0.027 0.000 0.992 250 V HN 0.766 nan 8.190 nan 0.000 0.426 251 C N 6.365 125.735 119.300 0.115 0.000 2.285 251 C HA 0.603 5.064 4.460 0.002 0.000 0.335 251 C C 0.609 175.676 174.990 0.128 0.000 1.267 251 C CA -1.019 58.051 59.018 0.088 0.000 1.762 251 C CB -0.079 27.730 27.740 0.116 0.000 2.365 251 C HN 0.741 nan 8.230 nan 0.000 0.527 252 R N 2.349 122.890 120.500 0.068 0.000 2.596 252 R HA 0.280 4.621 4.340 0.002 0.000 0.267 252 R C 0.268 176.610 176.300 0.069 0.000 1.026 252 R CA -0.445 55.707 56.100 0.087 0.000 1.087 252 R CB 0.263 30.580 30.300 0.029 0.000 1.132 252 R HN 0.771 nan 8.270 nan 0.000 0.531 253 N N -1.198 117.548 118.700 0.076 0.000 2.740 253 N HA -0.198 4.543 4.740 0.002 0.000 0.248 253 N C -1.151 174.385 175.510 0.044 0.000 1.062 253 N CA 1.178 54.256 53.050 0.046 0.000 0.704 253 N CB -0.901 37.599 38.487 0.022 0.000 0.968 253 N HN 0.731 nan 8.380 nan 0.000 0.547 254 A N -0.215 122.641 122.820 0.060 0.000 2.288 254 A HA 0.732 5.053 4.320 0.002 0.000 0.328 254 A C 0.076 177.666 177.584 0.010 0.000 1.123 254 A CA -0.461 51.602 52.037 0.043 0.000 0.861 254 A CB 1.271 20.309 19.000 0.064 0.000 1.272 254 A HN 0.212 nan 8.150 nan 0.000 0.490 255 Q N 0.614 120.413 119.800 -0.002 0.000 2.616 255 Q HA 0.318 4.659 4.340 0.002 0.000 0.250 255 Q C -2.265 173.720 176.000 -0.025 0.000 0.991 255 Q CA -1.811 53.980 55.803 -0.021 0.000 0.707 255 Q CB 1.339 30.067 28.738 -0.016 0.000 1.247 255 Q HN 0.434 nan 8.270 nan 0.000 0.491 256 P HA -0.226 nan 4.420 nan 0.000 0.216 256 P C 0.628 177.913 177.300 -0.025 0.000 1.154 256 P CA 1.666 64.733 63.100 -0.055 0.000 0.865 256 P CB 0.182 31.809 31.700 -0.122 0.000 0.789 257 D N -1.258 119.128 120.400 -0.023 0.000 2.403 257 D HA -0.117 4.525 4.640 0.002 0.000 0.227 257 D C 1.097 177.426 176.300 0.048 0.000 0.995 257 D CA 1.425 55.427 54.000 0.005 0.000 0.928 257 D CB -1.449 39.352 40.800 0.001 0.000 0.887 257 D HN 0.246 nan 8.370 nan 0.000 0.529 258 T N -2.840 111.739 114.554 0.042 0.000 3.086 258 T HA 0.223 4.574 4.350 0.002 0.000 0.250 258 T C 1.250 176.012 174.700 0.104 0.000 1.074 258 T CA -0.291 61.853 62.100 0.075 0.000 0.988 258 T CB -0.249 68.612 68.868 -0.012 0.000 0.988 258 T HN 0.190 nan 8.240 nan 0.000 0.530 259 L N 0.653 121.911 121.223 0.059 0.000 3.267 259 L HA 0.363 4.704 4.340 0.002 0.000 0.289 259 L C 0.872 177.754 176.870 0.021 0.000 1.260 259 L CA -0.283 54.577 54.840 0.034 0.000 1.034 259 L CB 0.509 42.585 42.059 0.028 0.000 1.413 259 L HN -0.013 nan 8.230 nan 0.000 0.594 260 D N 1.554 121.964 120.400 0.017 0.000 2.133 260 D HA -0.245 4.396 4.640 0.002 0.000 0.192 260 D C 2.153 178.457 176.300 0.007 0.000 1.001 260 D CA 1.834 55.835 54.000 0.003 0.000 0.844 260 D CB 0.183 40.973 40.800 -0.017 0.000 0.944 260 D HN 0.403 nan 8.370 nan 0.000 0.447 261 A N 0.610 123.421 122.820 -0.015 0.000 1.877 261 A HA -0.142 4.179 4.320 0.002 0.000 0.216 261 A C 2.610 180.222 177.584 0.047 0.000 1.186 261 A CA 1.471 53.514 52.037 0.011 0.000 0.620 261 A CB -0.789 18.204 19.000 -0.010 0.000 0.822 261 A HN 0.162 nan 8.150 nan 0.000 0.443 262 V N 0.226 120.125 119.914 -0.024 0.000 2.343 262 V HA -0.247 3.875 4.120 0.002 0.000 0.247 262 V C 2.573 178.779 176.094 0.187 0.000 1.051 262 V CA 1.921 64.240 62.300 0.032 0.000 1.036 262 V CB -0.762 31.049 31.823 -0.020 0.000 0.654 262 V HN 0.563 nan 8.190 nan 0.000 0.451 263 L N 0.071 121.365 121.223 0.119 0.000 2.046 263 L HA -0.145 4.197 4.340 0.002 0.000 0.208 263 L C 2.754 179.697 176.870 0.122 0.000 1.077 263 L CA 1.565 56.477 54.840 0.119 0.000 0.747 263 L CB -0.885 41.215 42.059 0.067 0.000 0.896 263 L HN 0.366 nan 8.230 nan 0.000 0.432 264 A N -0.072 122.807 122.820 0.099 0.000 1.902 264 A HA -0.226 4.095 4.320 0.002 0.000 0.217 264 A C 2.286 179.944 177.584 0.124 0.000 1.181 264 A CA 1.727 53.817 52.037 0.088 0.000 0.623 264 A CB -0.332 18.704 19.000 0.061 0.000 0.818 264 A HN 0.158 nan 8.150 nan 0.000 0.443 265 K N -0.223 120.282 120.400 0.175 0.000 2.097 265 K HA 0.102 4.423 4.320 0.002 0.000 0.205 265 K C 1.739 178.533 176.600 0.323 0.000 1.050 265 K CA 0.929 57.360 56.287 0.241 0.000 0.938 265 K CB -0.468 32.184 32.500 0.252 0.000 0.718 265 K HN 0.521 nan 8.250 nan 0.000 0.442 266 L N -0.070 121.353 121.223 0.333 0.000 2.093 266 L HA -0.125 4.217 4.340 0.002 0.000 0.208 266 L C 2.290 179.245 176.870 0.142 0.000 1.085 266 L CA 1.154 56.134 54.840 0.234 0.000 0.755 266 L CB -0.257 41.923 42.059 0.202 0.000 0.904 266 L HN 0.124 nan 8.230 nan 0.000 0.435 267 R N 0.108 120.684 120.500 0.127 0.000 2.096 267 R HA -0.167 4.175 4.340 0.002 0.000 0.235 267 R C 2.070 178.421 176.300 0.085 0.000 1.127 267 R CA 1.297 57.453 56.100 0.093 0.000 0.968 267 R CB -0.250 30.097 30.300 0.079 0.000 0.861 267 R HN 0.457 nan 8.270 nan 0.000 0.440 268 E N 0.319 120.576 120.200 0.094 0.000 2.204 268 E HA -0.113 4.238 4.350 0.002 0.000 0.194 268 E C 1.670 178.315 176.600 0.075 0.000 0.989 268 E CA 0.904 57.350 56.400 0.077 0.000 0.824 268 E CB 0.044 29.790 29.700 0.077 0.000 0.756 268 E HN 0.332 nan 8.360 nan 0.000 0.477 269 A N -0.009 122.865 122.820 0.090 0.000 2.206 269 A HA 0.194 4.515 4.320 0.002 0.000 0.211 269 A C 1.720 179.334 177.584 0.050 0.000 1.158 269 A CA 0.978 53.054 52.037 0.065 0.000 0.761 269 A CB -0.086 18.949 19.000 0.057 0.000 0.801 269 A HN 0.348 nan 8.150 nan 0.000 0.473 270 G N -2.517 106.319 108.800 0.060 0.000 2.192 270 G HA2 0.179 4.140 3.960 0.002 0.000 0.193 270 G HA3 0.179 4.140 3.960 0.002 0.000 0.193 270 G C 0.358 175.303 174.900 0.074 0.000 0.999 270 G CA 0.056 45.193 45.100 0.061 0.000 0.659 270 G HN 1.455 nan 8.290 nan 0.000 0.503 271 A N 0.268 123.130 122.820 0.069 0.000 2.425 271 A HA 0.543 4.864 4.320 0.002 0.000 0.249 271 A C 0.126 177.761 177.584 0.085 0.000 1.084 271 A CA 0.657 52.734 52.037 0.067 0.000 0.781 271 A CB 0.530 19.564 19.000 0.057 0.000 1.019 271 A HN 0.517 nan 8.150 nan 0.000 0.490 272 D N 2.080 122.534 120.400 0.089 0.000 2.396 272 D HA 0.460 5.102 4.640 0.002 0.000 0.225 272 D C -0.614 175.737 176.300 0.085 0.000 1.121 272 D CA 0.047 54.117 54.000 0.117 0.000 0.853 272 D CB 0.012 40.939 40.800 0.212 0.000 1.043 272 D HN 0.348 nan 8.370 nan 0.000 0.500 273 I N 3.022 123.644 120.570 0.087 0.000 2.441 273 I HA 0.341 4.512 4.170 0.002 0.000 0.295 273 I C 0.113 176.282 176.117 0.087 0.000 0.994 273 I CA -0.842 60.510 61.300 0.085 0.000 1.144 273 I CB 1.737 39.781 38.000 0.072 0.000 1.314 273 I HN 0.173 nan 8.210 nan 0.000 0.445 274 E N 3.769 124.040 120.200 0.118 0.000 2.288 274 E HA 0.565 4.916 4.350 0.002 0.000 0.268 274 E C -0.833 175.732 176.600 -0.057 0.000 0.885 274 E CA -0.527 55.940 56.400 0.112 0.000 0.767 274 E CB 2.569 32.445 29.700 0.292 0.000 1.220 274 E HN 0.692 nan 8.360 nan 0.000 0.427 275 T N -1.493 112.850 114.554 -0.351 0.000 2.906 275 T HA 0.838 5.189 4.350 0.002 0.000 0.295 275 T C 0.211 174.182 174.700 -1.215 0.000 1.061 275 T CA -0.717 60.920 62.100 -0.772 0.000 1.000 275 T CB 2.106 70.738 68.868 -0.394 0.000 1.103 275 T HN 0.385 nan 8.240 nan 0.000 0.486 276 G N -0.211 107.488 108.800 -1.835 0.000 3.209 276 G HA2 0.469 4.430 3.960 0.002 0.000 0.236 276 G HA3 0.469 4.430 3.960 0.002 0.000 0.236 276 G C 0.302 174.805 174.900 -0.662 0.000 1.329 276 G CA -0.481 43.829 45.100 -1.316 0.000 1.015 276 G HN 0.805 nan 8.290 nan 0.000 0.571 277 E N -0.577 119.437 120.200 -0.310 0.000 2.152 277 E HA -0.095 4.257 4.350 0.002 0.000 0.192 277 E C 0.333 176.861 176.600 -0.120 0.000 0.983 277 E CA 1.554 57.866 56.400 -0.147 0.000 0.818 277 E CB 0.192 29.872 29.700 -0.033 0.000 0.758 277 E HN 0.480 nan 8.360 nan 0.000 0.467 278 D N -0.896 119.459 120.400 -0.075 0.000 2.760 278 D HA 0.037 4.679 4.640 0.002 0.000 0.314 278 D C -0.291 176.090 176.300 0.135 0.000 1.464 278 D CA -0.524 53.490 54.000 0.023 0.000 0.797 278 D CB -0.850 39.996 40.800 0.077 0.000 1.149 278 D HN 0.203 nan 8.370 nan 0.000 0.455 279 W N -0.152 121.151 121.300 0.005 0.000 3.137 279 W HA 0.681 5.342 4.660 0.002 0.000 0.324 279 W C -2.074 174.453 176.519 0.014 0.000 1.253 279 W CA -1.294 56.055 57.345 0.006 0.000 1.183 279 W CB 0.489 29.949 29.460 -0.000 0.000 1.424 279 W HN -0.279 nan 8.180 nan 0.000 0.566 280 I N 2.869 123.636 120.570 0.328 0.000 2.656 280 I HA 0.334 4.505 4.170 0.002 0.000 0.292 280 I C -0.289 176.046 176.117 0.363 0.000 1.144 280 I CA -0.737 60.684 61.300 0.203 0.000 1.038 280 I CB 2.621 40.675 38.000 0.090 0.000 1.244 280 I HN 0.463 nan 8.210 nan 0.000 0.420 281 S N 6.730 122.653 115.700 0.371 0.000 2.513 281 S HA 0.847 5.318 4.470 0.002 0.000 0.299 281 S C -1.053 173.642 174.600 0.159 0.000 1.087 281 S CA -0.746 57.615 58.200 0.269 0.000 1.012 281 S CB 2.386 65.770 63.200 0.307 0.000 1.044 281 S HN 0.646 nan 8.310 nan 0.000 0.485 282 L N 2.142 123.421 121.223 0.093 0.000 2.436 282 L HA 0.668 5.009 4.340 0.002 0.000 0.268 282 L C -1.945 174.915 176.870 -0.016 0.000 0.974 282 L CA -0.301 54.569 54.840 0.050 0.000 0.826 282 L CB 1.893 43.987 42.059 0.058 0.000 1.291 282 L HN 0.840 nan 8.230 nan 0.000 0.406 283 D N 4.963 125.314 120.400 -0.082 0.000 2.696 283 D HA 0.285 4.927 4.640 0.002 0.000 0.251 283 D C 0.205 176.342 176.300 -0.272 0.000 1.188 283 D CA -0.418 53.434 54.000 -0.248 0.000 0.876 283 D CB 1.944 42.472 40.800 -0.453 0.000 1.334 283 D HN 0.506 nan 8.370 nan 0.000 0.540 284 M N 1.679 121.168 119.600 -0.185 0.000 2.502 284 M HA 0.020 4.501 4.480 0.002 0.000 0.243 284 M C 0.166 176.468 176.300 0.004 0.000 1.130 284 M CA 0.220 55.482 55.300 -0.063 0.000 1.055 284 M CB -0.598 31.988 32.600 -0.022 0.000 1.457 284 M HN 0.498 nan 8.290 nan 0.000 0.488 285 H N 0.105 119.186 119.070 0.018 0.000 2.741 285 H HA -0.172 4.385 4.556 0.002 0.000 0.305 285 H C 1.350 176.684 175.328 0.010 0.000 1.169 285 H CA 0.948 57.004 56.048 0.014 0.000 1.144 285 H CB -2.154 27.618 29.762 0.016 0.000 1.397 285 H HN 0.647 nan 8.280 nan 0.000 0.409 286 G N -0.315 108.524 108.800 0.065 0.000 2.196 286 G HA2 -0.372 3.589 3.960 0.002 0.000 0.268 286 G HA3 -0.372 3.589 3.960 0.002 0.000 0.268 286 G C 0.433 175.359 174.900 0.043 0.000 0.975 286 G CA 0.925 46.051 45.100 0.044 0.000 0.648 286 G HN 0.539 nan 8.290 nan 0.000 0.538 287 K N 0.433 120.868 120.400 0.058 0.000 2.298 287 K HA 0.338 4.660 4.320 0.002 0.000 0.280 287 K C 0.856 177.471 176.600 0.025 0.000 1.032 287 K CA -0.674 55.640 56.287 0.045 0.000 0.958 287 K CB 1.012 33.548 32.500 0.060 0.000 0.978 287 K HN 0.341 nan 8.250 nan 0.000 0.472 288 R N 3.852 124.362 120.500 0.017 0.000 2.590 288 R HA 0.071 4.412 4.340 0.002 0.000 0.274 288 R C -2.057 174.247 176.300 0.007 0.000 1.061 288 R CA -1.088 55.015 56.100 0.006 0.000 1.081 288 R CB 0.345 30.648 30.300 0.004 0.000 0.984 288 R HN 0.384 nan 8.270 nan 0.000 0.448 289 P HA 0.042 nan 4.420 nan 0.000 0.272 289 P C -1.235 176.069 177.300 0.006 0.000 1.223 289 P CA 0.032 63.130 63.100 -0.003 0.000 0.784 289 P CB 0.671 32.355 31.700 -0.027 0.000 0.923 290 K N 1.067 121.477 120.400 0.016 0.000 2.183 290 K HA 0.474 4.795 4.320 0.002 0.000 0.274 290 K C 0.248 176.861 176.600 0.022 0.000 1.009 290 K CA -0.627 55.672 56.287 0.021 0.000 0.888 290 K CB 1.427 33.943 32.500 0.028 0.000 1.078 290 K HN 0.543 nan 8.250 nan 0.000 0.459 291 A N 2.367 125.197 122.820 0.017 0.000 2.531 291 A HA 0.260 4.582 4.320 0.002 0.000 0.236 291 A C 0.378 177.977 177.584 0.024 0.000 1.062 291 A CA -0.207 51.839 52.037 0.014 0.000 0.760 291 A CB -0.060 18.942 19.000 0.003 0.000 0.995 291 A HN 0.544 nan 8.150 nan 0.000 0.501 292 V N -0.438 119.497 119.914 0.033 0.000 3.141 292 V HA 0.873 4.994 4.120 0.002 0.000 0.312 292 V C -0.102 175.990 176.094 -0.003 0.000 1.157 292 V CA -0.638 61.683 62.300 0.036 0.000 1.041 292 V CB 1.726 33.605 31.823 0.094 0.000 1.071 292 V HN 0.783 nan 8.190 nan 0.000 0.441 293 T N 1.707 116.243 114.554 -0.030 0.000 2.794 293 T HA 0.737 5.088 4.350 0.002 0.000 0.280 293 T C -0.595 174.022 174.700 -0.138 0.000 0.987 293 T CA -0.295 61.764 62.100 -0.068 0.000 0.993 293 T CB 1.366 70.204 68.868 -0.049 0.000 0.939 293 T HN 0.740 nan 8.240 nan 0.000 0.449 294 V N 3.549 123.337 119.914 -0.211 0.000 2.735 294 V HA 0.670 4.791 4.120 0.002 0.000 0.310 294 V C -0.271 175.656 176.094 -0.278 0.000 1.061 294 V CA -0.999 61.053 62.300 -0.415 0.000 0.913 294 V CB 2.234 33.572 31.823 -0.809 0.000 1.005 294 V HN 0.770 nan 8.190 nan 0.000 0.428 295 R N 2.378 122.733 120.500 -0.242 0.000 2.539 295 R HA 0.442 4.783 4.340 0.002 0.000 0.295 295 R C -0.191 176.105 176.300 -0.008 0.000 1.138 295 R CA -0.278 55.770 56.100 -0.087 0.000 0.936 295 R CB 1.554 31.826 30.300 -0.047 0.000 1.182 295 R HN 0.927 nan 8.270 nan 0.000 0.459 296 T N 1.106 115.695 114.554 0.058 0.000 2.900 296 T HA 0.639 4.990 4.350 0.002 0.000 0.307 296 T C 0.226 174.970 174.700 0.073 0.000 1.065 296 T CA 0.069 62.267 62.100 0.164 0.000 1.105 296 T CB 1.513 70.490 68.868 0.181 0.000 0.979 296 T HN 0.713 nan 8.240 nan 0.000 0.544 297 A N 2.811 125.671 122.820 0.066 0.000 2.515 297 A HA 0.709 5.030 4.320 0.002 0.000 0.292 297 A C -3.175 174.416 177.584 0.012 0.000 1.065 297 A CA -1.652 50.393 52.037 0.013 0.000 0.641 297 A CB 0.136 19.141 19.000 0.008 0.000 1.306 297 A HN 0.657 nan 8.150 nan 0.000 0.441 298 P HA 0.286 nan 4.420 nan 0.000 0.269 298 P C -0.354 176.972 177.300 0.043 0.000 1.209 298 P CA 0.370 63.482 63.100 0.020 0.000 0.776 298 P CB 0.159 31.863 31.700 0.007 0.000 0.876 299 H N 4.629 123.688 119.070 -0.018 0.000 3.016 299 H HA -0.012 4.545 4.556 0.002 0.000 0.345 299 H C -1.185 174.136 175.328 -0.013 0.000 1.066 299 H CA -0.508 55.528 56.048 -0.020 0.000 1.390 299 H CB 0.275 30.025 29.762 -0.019 0.000 1.344 299 H HN 0.329 nan 8.280 nan 0.000 0.605 300 P HA 0.122 nan 4.420 nan 0.000 0.255 300 P C -0.431 176.645 177.300 -0.373 0.000 1.357 300 P CA 0.216 62.753 63.100 -0.938 0.000 0.839 300 P CB -0.080 31.192 31.700 -0.712 0.000 1.356 301 A N 0.354 123.073 122.820 -0.169 0.000 2.267 301 A HA 0.292 4.613 4.320 0.002 0.000 0.271 301 A C -0.203 177.380 177.584 -0.001 0.000 1.131 301 A CA -0.599 51.409 52.037 -0.049 0.000 0.818 301 A CB -0.505 18.493 19.000 -0.004 0.000 1.118 301 A HN 0.163 nan 8.150 nan 0.000 0.501 302 F N 1.647 121.542 119.950 -0.092 0.000 2.612 302 F HA 0.250 4.778 4.527 0.002 0.000 0.389 302 F C -1.653 174.111 175.800 -0.061 0.000 1.055 302 F CA -1.079 56.853 58.000 -0.113 0.000 1.232 302 F CB 0.608 39.506 39.000 -0.171 0.000 1.044 302 F HN 0.263 nan 8.300 nan 0.000 0.560 303 P HA 0.024 nan 4.420 nan 0.000 0.285 303 P C 0.170 177.441 177.300 -0.049 0.000 1.259 303 P CA -0.250 62.744 63.100 -0.177 0.000 0.794 303 P CB 1.655 33.236 31.700 -0.198 0.000 0.940 304 T N 1.022 115.637 114.554 0.101 0.000 2.929 304 T HA -0.125 4.227 4.350 0.002 0.000 0.271 304 T C 0.940 175.746 174.700 0.177 0.000 1.085 304 T CA 1.564 63.781 62.100 0.195 0.000 1.125 304 T CB -0.691 68.303 68.868 0.210 0.000 0.874 304 T HN 0.311 nan 8.240 nan 0.000 0.494 305 D N 0.406 120.864 120.400 0.097 0.000 2.371 305 D HA 0.044 4.685 4.640 0.002 0.000 0.221 305 D C 1.268 177.604 176.300 0.061 0.000 0.986 305 D CA 0.532 54.574 54.000 0.070 0.000 0.899 305 D CB 0.092 40.914 40.800 0.037 0.000 0.902 305 D HN 0.417 nan 8.370 nan 0.000 0.530 306 M N -0.118 119.510 119.600 0.045 0.000 2.346 306 M HA 0.062 4.544 4.480 0.002 0.000 0.280 306 M C 1.585 178.148 176.300 0.438 0.000 1.075 306 M CA 0.064 55.446 55.300 0.137 0.000 0.989 306 M CB 0.600 33.105 32.600 -0.158 0.000 1.447 306 M HN -0.038 nan 8.290 nan 0.000 0.511 307 Q N 0.979 121.022 119.800 0.405 0.000 2.046 307 Q HA -0.081 4.261 4.340 0.002 0.000 0.200 307 Q C 1.731 177.887 176.000 0.261 0.000 0.975 307 Q CA 2.007 58.066 55.803 0.427 0.000 0.836 307 Q CB 0.168 29.124 28.738 0.364 0.000 0.896 307 Q HN 0.461 nan 8.270 nan 0.000 0.428 308 A N 0.581 123.413 122.820 0.019 0.000 1.902 308 A HA -0.231 4.090 4.320 0.002 0.000 0.217 308 A C 1.990 179.508 177.584 -0.109 0.000 1.181 308 A CA 1.653 53.428 52.037 -0.436 0.000 0.623 308 A CB -0.463 18.139 19.000 -0.663 0.000 0.818 308 A HN 0.456 nan 8.150 nan 0.000 0.443 309 Q N -1.255 118.579 119.800 0.057 0.000 2.124 309 Q HA -0.066 4.275 4.340 0.002 0.000 0.202 309 Q C 1.590 177.652 176.000 0.104 0.000 0.977 309 Q CA 1.610 57.459 55.803 0.077 0.000 0.850 309 Q CB -0.420 28.391 28.738 0.121 0.000 0.901 309 Q HN 0.687 nan 8.270 nan 0.000 0.429 310 F N -0.109 119.914 119.950 0.122 0.000 2.456 310 F HA -0.059 4.469 4.527 0.002 0.000 0.298 310 F C 2.103 177.933 175.800 0.050 0.000 1.104 310 F CA 1.004 59.070 58.000 0.110 0.000 1.435 310 F CB -0.260 38.836 39.000 0.159 0.000 1.078 310 F HN 0.006 nan 8.300 nan 0.000 0.546 311 T N 0.597 115.285 114.554 0.224 0.000 2.746 311 T HA -0.195 4.156 4.350 0.002 0.000 0.267 311 T C 2.034 176.787 174.700 0.089 0.000 1.039 311 T CA 1.342 63.539 62.100 0.162 0.000 1.142 311 T CB -0.546 68.512 68.868 0.317 0.000 0.866 311 T HN 0.139 nan 8.240 nan 0.000 0.444 312 L N 1.358 122.625 121.223 0.074 0.000 2.012 312 L HA 0.032 4.373 4.340 0.002 0.000 0.210 312 L C 2.223 179.075 176.870 -0.029 0.000 1.073 312 L CA 1.551 56.403 54.840 0.019 0.000 0.748 312 L CB -0.969 41.087 42.059 -0.006 0.000 0.891 312 L HN 0.274 nan 8.230 nan 0.000 0.431 313 L N -0.426 120.751 121.223 -0.077 0.000 2.012 313 L HA -0.264 4.077 4.340 0.002 0.000 0.210 313 L C 2.219 179.052 176.870 -0.062 0.000 1.073 313 L CA 1.809 56.576 54.840 -0.123 0.000 0.748 313 L CB -0.540 41.345 42.059 -0.290 0.000 0.891 313 L HN 0.400 nan 8.230 nan 0.000 0.431 314 N N -0.098 118.586 118.700 -0.025 0.000 2.244 314 N HA -0.132 4.609 4.740 0.002 0.000 0.183 314 N C 1.822 177.317 175.510 -0.025 0.000 1.016 314 N CA 1.244 54.285 53.050 -0.016 0.000 0.866 314 N CB -0.288 38.194 38.487 -0.009 0.000 0.980 314 N HN 0.388 nan 8.380 nan 0.000 0.430 315 L N 0.369 121.578 121.223 -0.023 0.000 2.275 315 L HA -0.041 4.300 4.340 0.002 0.000 0.215 315 L C 1.489 178.339 176.870 -0.033 0.000 1.119 315 L CA 0.611 55.436 54.840 -0.026 0.000 0.790 315 L CB -0.056 41.992 42.059 -0.019 0.000 0.919 315 L HN 0.072 nan 8.230 nan 0.000 0.443 316 V N -4.623 115.271 119.914 -0.033 0.000 3.319 316 V HA 0.510 4.631 4.120 0.002 0.000 0.317 316 V C 0.773 176.852 176.094 -0.026 0.000 1.411 316 V CA -0.233 62.046 62.300 -0.035 0.000 1.112 316 V CB -0.379 31.422 31.823 -0.038 0.000 1.031 316 V HN 0.111 nan 8.190 nan 0.000 0.448 317 A N 0.490 123.298 122.820 -0.020 0.000 2.242 317 A HA 0.696 5.017 4.320 0.002 0.000 0.304 317 A C 0.068 177.652 177.584 0.001 0.000 1.100 317 A CA -0.654 51.376 52.037 -0.011 0.000 0.860 317 A CB 0.466 19.459 19.000 -0.011 0.000 1.168 317 A HN 0.551 nan 8.150 nan 0.000 0.503 318 E N -0.017 120.188 120.200 0.008 0.000 2.167 318 E HA 0.479 4.830 4.350 0.002 0.000 0.284 318 E C 0.349 176.962 176.600 0.021 0.000 1.016 318 E CA 0.524 56.933 56.400 0.016 0.000 0.817 318 E CB 0.999 30.708 29.700 0.016 0.000 1.080 318 E HN 1.279 nan 8.360 nan 0.000 0.397 319 G N 2.402 111.222 108.800 0.032 0.000 2.483 319 G HA2 -0.182 3.779 3.960 0.002 0.000 0.521 319 G HA3 -0.182 3.779 3.960 0.002 0.000 0.521 319 G C -0.573 174.350 174.900 0.039 0.000 1.278 319 G CA -0.974 44.148 45.100 0.037 0.000 0.965 319 G HN 0.398 nan 8.290 nan 0.000 0.504 320 T N 1.290 115.862 114.554 0.030 0.000 2.738 320 T HA 0.621 4.972 4.350 0.002 0.000 0.298 320 T C 0.738 175.408 174.700 -0.050 0.000 0.962 320 T CA 0.566 62.659 62.100 -0.011 0.000 0.972 320 T CB 1.165 70.047 68.868 0.025 0.000 0.928 320 T HN 1.405 nan 8.240 nan 0.000 0.474 321 G N 1.764 110.511 108.800 -0.089 0.000 2.389 321 G HA2 0.596 4.558 3.960 0.002 0.000 0.328 321 G HA3 0.596 4.558 3.960 0.002 0.000 0.328 321 G C -0.972 173.866 174.900 -0.104 0.000 1.133 321 G CA -0.491 44.567 45.100 -0.071 0.000 0.891 321 G HN 0.627 nan 8.290 nan 0.000 0.485 322 V N 3.345 123.211 119.914 -0.080 0.000 2.444 322 V HA 0.391 4.512 4.120 0.002 0.000 0.294 322 V C -0.588 175.459 176.094 -0.078 0.000 1.022 322 V CA -0.783 61.466 62.300 -0.085 0.000 0.850 322 V CB 1.569 33.354 31.823 -0.063 0.000 0.992 322 V HN 0.553 nan 8.190 nan 0.000 0.426 323 I N 3.724 124.249 120.570 -0.076 0.000 2.382 323 I HA 0.426 4.597 4.170 0.002 0.000 0.286 323 I C 0.117 176.273 176.117 0.065 0.000 1.002 323 I CA -0.035 61.244 61.300 -0.034 0.000 1.135 323 I CB 1.732 39.729 38.000 -0.006 0.000 1.288 323 I HN 0.514 nan 8.210 nan 0.000 0.448 324 T N 5.042 119.633 114.554 0.062 0.000 2.770 324 T HA 0.285 4.637 4.350 0.002 0.000 0.283 324 T C -0.100 174.679 174.700 0.132 0.000 0.988 324 T CA -0.461 61.712 62.100 0.122 0.000 0.957 324 T CB 1.601 70.495 68.868 0.044 0.000 0.930 324 T HN 0.422 nan 8.240 nan 0.000 0.443 325 E N 2.133 122.439 120.200 0.177 0.000 2.092 325 E HA 0.350 4.701 4.350 0.002 0.000 0.271 325 E C 0.926 177.515 176.600 -0.019 0.000 0.919 325 E CA -0.593 55.842 56.400 0.058 0.000 0.760 325 E CB 0.684 30.327 29.700 -0.094 0.000 1.106 325 E HN 0.635 nan 8.360 nan 0.000 0.408 326 T N 2.204 116.745 114.554 -0.022 0.000 3.054 326 T HA 0.167 4.518 4.350 0.002 0.000 0.255 326 T C 1.180 175.809 174.700 -0.118 0.000 1.035 326 T CA -0.074 61.993 62.100 -0.055 0.000 0.941 326 T CB -0.017 68.828 68.868 -0.039 0.000 1.026 326 T HN 0.385 nan 8.240 nan 0.000 0.533 327 I N -0.100 120.369 120.570 -0.168 0.000 2.499 327 I HA 0.377 4.548 4.170 0.002 0.000 0.243 327 I C 0.357 176.150 176.117 -0.539 0.000 1.085 327 I CA 0.145 61.206 61.300 -0.398 0.000 1.422 327 I CB -0.706 36.978 38.000 -0.526 0.000 1.165 327 I HN 0.210 nan 8.210 nan 0.000 0.440 328 F N 2.183 122.092 119.950 -0.068 0.000 2.469 328 F HA 0.222 4.750 4.527 0.002 0.000 0.332 328 F C 1.596 177.309 175.800 -0.146 0.000 1.103 328 F CA -0.735 57.212 58.000 -0.089 0.000 0.979 328 F CB 1.301 40.255 39.000 -0.076 0.000 1.137 328 F HN 0.041 nan 8.300 nan 0.000 0.463 329 E N 1.070 121.316 120.200 0.077 0.000 2.481 329 E HA -0.125 4.226 4.350 0.002 0.000 0.195 329 E C -0.196 176.357 176.600 -0.079 0.000 1.047 329 E CA 0.705 57.085 56.400 -0.034 0.000 0.867 329 E CB -0.060 29.634 29.700 -0.011 0.000 0.858 329 E HN 0.734 nan 8.360 nan 0.000 0.513 330 N N 0.519 119.185 118.700 -0.057 0.000 2.622 330 N HA 0.112 4.854 4.740 0.002 0.000 0.304 330 N C -0.408 175.053 175.510 -0.082 0.000 1.844 330 N CA -0.186 52.819 53.050 -0.074 0.000 0.886 330 N CB 0.421 38.888 38.487 -0.034 0.000 1.366 330 N HN -0.061 nan 8.380 nan 0.000 0.491 331 R N 0.702 121.099 120.500 -0.172 0.000 2.935 331 R HA 0.242 4.584 4.340 0.002 0.000 0.354 331 R C -0.486 175.907 176.300 0.156 0.000 1.206 331 R CA -0.130 55.945 56.100 -0.042 0.000 1.082 331 R CB -0.077 30.229 30.300 0.010 0.000 1.431 331 R HN 0.287 nan 8.270 nan 0.000 0.582 332 F N -0.435 119.571 119.950 0.093 0.000 2.735 332 F HA 0.154 4.682 4.527 0.002 0.000 0.308 332 F C 1.359 177.036 175.800 -0.206 0.000 1.112 332 F CA -0.479 57.474 58.000 -0.077 0.000 1.235 332 F CB 0.664 39.612 39.000 -0.087 0.000 1.027 332 F HN 0.077 nan 8.300 nan 0.000 0.528 333 M N 0.249 119.939 119.600 0.151 0.000 2.346 333 M HA -0.203 4.278 4.480 0.002 0.000 0.263 333 M C 2.362 178.684 176.300 0.037 0.000 1.064 333 M CA 1.378 56.718 55.300 0.066 0.000 1.083 333 M CB -0.589 32.043 32.600 0.053 0.000 1.399 333 M HN 0.318 nan 8.290 nan 0.000 0.435 334 H N -1.179 117.924 119.070 0.056 0.000 2.495 334 H HA 0.052 4.609 4.556 0.002 0.000 0.287 334 H C 1.995 177.337 175.328 0.022 0.000 1.033 334 H CA 0.998 57.062 56.048 0.027 0.000 1.307 334 H CB -1.147 28.635 29.762 0.033 0.000 1.401 334 H HN 0.239 nan 8.280 nan 0.000 0.555 335 V N 2.400 122.033 119.914 -0.468 0.000 2.255 335 V HA -0.171 3.950 4.120 0.002 0.000 0.247 335 V C -0.252 175.774 176.094 -0.114 0.000 1.051 335 V CA 2.182 64.304 62.300 -0.296 0.000 1.018 335 V CB -1.432 30.176 31.823 -0.359 0.000 0.641 335 V HN 0.402 nan 8.190 nan 0.000 0.445 336 P HA -0.121 nan 4.420 nan 0.000 0.216 336 P C 1.577 178.871 177.300 -0.011 0.000 1.150 336 P CA 1.195 64.277 63.100 -0.030 0.000 0.837 336 P CB -0.015 31.675 31.700 -0.017 0.000 0.786 337 E N -0.519 119.679 120.200 -0.004 0.000 2.072 337 E HA -0.065 4.287 4.350 0.002 0.000 0.190 337 E C 2.129 178.738 176.600 0.014 0.000 0.982 337 E CA 0.912 57.319 56.400 0.012 0.000 0.803 337 E CB -0.925 28.790 29.700 0.024 0.000 0.755 337 E HN 0.317 nan 8.360 nan 0.000 0.453 338 L N 0.541 121.773 121.223 0.015 0.000 2.141 338 L HA -0.083 4.258 4.340 0.002 0.000 0.209 338 L C 2.486 179.360 176.870 0.007 0.000 1.094 338 L CA 0.626 55.475 54.840 0.015 0.000 0.763 338 L CB -0.332 41.742 42.059 0.026 0.000 0.908 338 L HN 0.078 nan 8.230 nan 0.000 0.437 339 I N -0.404 120.170 120.570 0.007 0.000 2.361 339 I HA -0.281 3.890 4.170 0.002 0.000 0.251 339 I C 2.570 178.704 176.117 0.029 0.000 1.133 339 I CA 1.161 62.477 61.300 0.027 0.000 1.413 339 I CB -0.266 37.749 38.000 0.025 0.000 1.073 339 I HN 0.222 nan 8.210 nan 0.000 0.424 340 R N 0.235 120.746 120.500 0.018 0.000 2.189 340 R HA -0.036 4.305 4.340 0.002 0.000 0.223 340 R C 1.731 178.040 176.300 0.014 0.000 1.092 340 R CA 0.969 57.079 56.100 0.018 0.000 0.989 340 R CB -0.078 30.231 30.300 0.015 0.000 0.876 340 R HN 0.368 nan 8.270 nan 0.000 0.457 341 M N -0.777 118.827 119.600 0.007 0.000 2.505 341 M HA 0.178 4.659 4.480 0.002 0.000 0.230 341 M C 0.633 176.922 176.300 -0.018 0.000 1.153 341 M CA 0.336 55.635 55.300 -0.002 0.000 0.997 341 M CB 1.315 33.913 32.600 -0.003 0.000 1.606 341 M HN 0.391 nan 8.290 nan 0.000 0.481 342 G N 0.450 109.242 108.800 -0.013 0.000 2.176 342 G HA2 -0.187 3.774 3.960 0.002 0.000 0.232 342 G HA3 -0.187 3.774 3.960 0.002 0.000 0.232 342 G C 0.212 175.023 174.900 -0.149 0.000 0.986 342 G CA -0.064 45.005 45.100 -0.052 0.000 0.643 342 G HN 0.656 nan 8.290 nan 0.000 0.522 343 A N 0.354 123.129 122.820 -0.074 0.000 2.386 343 A HA 0.612 4.933 4.320 0.002 0.000 0.248 343 A C 0.033 177.655 177.584 0.064 0.000 1.082 343 A CA 0.097 52.086 52.037 -0.080 0.000 0.789 343 A CB 0.210 19.197 19.000 -0.022 0.000 1.025 343 A HN 0.522 nan 8.150 nan 0.000 0.490 344 H N -0.041 119.046 119.070 0.028 0.000 2.587 344 H HA 0.727 5.284 4.556 0.002 0.000 0.325 344 H C -0.040 175.335 175.328 0.078 0.000 1.012 344 H CA 0.061 56.148 56.048 0.064 0.000 1.213 344 H CB 1.287 31.109 29.762 0.100 0.000 1.431 344 H HN 0.965 nan 8.280 nan 0.000 0.492 345 A N 2.707 125.626 122.820 0.165 0.000 2.608 345 A HA 0.649 4.971 4.320 0.002 0.000 0.292 345 A C -1.273 176.318 177.584 0.012 0.000 1.066 345 A CA -0.836 51.224 52.037 0.039 0.000 0.676 345 A CB 1.680 20.640 19.000 -0.067 0.000 1.277 345 A HN 0.533 nan 8.150 nan 0.000 0.413 346 E N 0.250 120.429 120.200 -0.035 0.000 2.272 346 E HA 0.634 4.986 4.350 0.002 0.000 0.269 346 E C -1.220 175.327 176.600 -0.088 0.000 0.877 346 E CA -0.218 56.164 56.400 -0.031 0.000 0.755 346 E CB 2.175 31.887 29.700 0.020 0.000 1.192 346 E HN 0.535 nan 8.360 nan 0.000 0.422 347 I N 2.115 122.642 120.570 -0.071 0.000 2.336 347 I HA 0.341 4.512 4.170 0.002 0.000 0.292 347 I C -0.371 175.748 176.117 0.003 0.000 0.991 347 I CA -0.637 60.622 61.300 -0.068 0.000 1.227 347 I CB 1.360 39.347 38.000 -0.021 0.000 1.366 347 I HN 0.350 nan 8.210 nan 0.000 0.466 348 E N 5.051 125.266 120.200 0.025 0.000 2.325 348 E HA 0.385 4.736 4.350 0.002 0.000 0.248 348 E C -0.061 176.584 176.600 0.075 0.000 0.912 348 E CA 0.060 56.484 56.400 0.039 0.000 0.782 348 E CB 1.253 30.965 29.700 0.020 0.000 1.264 348 E HN 0.652 nan 8.360 nan 0.000 0.417 349 S N 3.896 119.645 115.700 0.081 0.000 4.114 349 S HA -0.309 4.162 4.470 0.002 0.000 0.618 349 S C 0.630 175.323 174.600 0.154 0.000 1.937 349 S CA 1.746 59.998 58.200 0.086 0.000 4.228 349 S CB -1.177 62.057 63.200 0.057 0.000 0.216 349 S HN 0.752 nan 8.310 nan 0.000 0.528 350 N N 1.800 120.584 118.700 0.141 0.000 2.327 350 N HA 0.259 5.000 4.740 0.002 0.000 0.231 350 N C -0.508 175.222 175.510 0.366 0.000 1.130 350 N CA 0.377 53.542 53.050 0.192 0.000 0.845 350 N CB 0.077 38.588 38.487 0.040 0.000 1.073 350 N HN 0.440 nan 8.380 nan 0.000 0.496 351 T N 0.147 114.890 114.554 0.315 0.000 2.848 351 T HA 0.376 4.727 4.350 0.002 0.000 0.285 351 T C -0.692 173.988 174.700 -0.033 0.000 0.995 351 T CA -0.483 61.719 62.100 0.171 0.000 0.970 351 T CB 2.463 71.370 68.868 0.065 0.000 0.976 351 T HN -0.120 nan 8.240 nan 0.000 0.441 352 V N 4.681 124.442 119.914 -0.256 0.000 2.370 352 V HA 0.459 4.581 4.120 0.002 0.000 0.283 352 V C -0.070 175.878 176.094 -0.243 0.000 1.023 352 V CA -0.760 61.289 62.300 -0.418 0.000 0.857 352 V CB 1.143 32.540 31.823 -0.710 0.000 0.985 352 V HN 0.782 nan 8.190 nan 0.000 0.443 353 I N 4.681 125.127 120.570 -0.207 0.000 2.304 353 I HA 0.331 4.503 4.170 0.002 0.000 0.291 353 I C -0.142 175.758 176.117 -0.361 0.000 1.018 353 I CA -0.042 61.119 61.300 -0.231 0.000 1.260 353 I CB 0.834 38.739 38.000 -0.159 0.000 1.390 353 I HN 0.546 nan 8.210 nan 0.000 0.475 354 C N 5.457 124.530 119.300 -0.378 0.000 2.358 354 C HA 0.452 4.913 4.460 0.002 0.000 0.342 354 C C 0.086 174.781 174.990 -0.492 0.000 1.234 354 C CA -0.646 58.161 59.018 -0.351 0.000 1.969 354 C CB 0.367 28.007 27.740 -0.167 0.000 2.346 354 C HN 0.617 nan 8.230 nan 0.000 0.525 355 H N 1.250 120.335 119.070 0.025 0.000 2.675 355 H HA 0.282 4.839 4.556 0.002 0.000 0.258 355 H C 0.593 175.941 175.328 0.033 0.000 1.271 355 H CA -0.037 56.037 56.048 0.043 0.000 1.462 355 H CB 0.849 30.660 29.762 0.082 0.000 1.467 355 H HN 0.968 nan 8.280 nan 0.000 0.501 356 G N 1.831 110.674 108.800 0.071 0.000 2.368 356 G HA2 0.234 4.196 3.960 0.002 0.000 0.233 356 G HA3 0.234 4.196 3.960 0.002 0.000 0.233 356 G C 0.540 175.447 174.900 0.012 0.000 1.267 356 G CA -0.021 45.092 45.100 0.023 0.000 0.873 356 G HN 0.418 nan 8.290 nan 0.000 0.539 357 V N 0.243 120.130 119.914 -0.045 0.000 2.919 357 V HA 0.599 4.720 4.120 0.002 0.000 0.316 357 V C 1.106 177.169 176.094 -0.051 0.000 1.077 357 V CA -0.438 61.817 62.300 -0.075 0.000 0.977 357 V CB 1.888 33.597 31.823 -0.189 0.000 1.039 357 V HN 0.842 nan 8.190 nan 0.000 0.441 358 E N 1.239 121.415 120.200 -0.041 0.000 2.017 358 E HA -0.055 4.296 4.350 0.002 0.000 0.193 358 E C 0.265 176.845 176.600 -0.033 0.000 0.997 358 E CA 1.415 57.799 56.400 -0.028 0.000 0.804 358 E CB 0.231 29.919 29.700 -0.019 0.000 0.757 358 E HN 0.669 nan 8.360 nan 0.000 0.448 359 K N -0.054 120.321 120.400 -0.042 0.000 2.469 359 K HA 0.381 4.702 4.320 0.002 0.000 0.254 359 K C -0.812 175.758 176.600 -0.050 0.000 0.939 359 K CA -0.622 55.642 56.287 -0.038 0.000 0.812 359 K CB 1.830 34.314 32.500 -0.026 0.000 1.301 359 K HN 0.092 nan 8.250 nan 0.000 0.433 360 L N 0.740 121.937 121.223 -0.043 0.000 2.416 360 L HA 0.441 4.782 4.340 0.002 0.000 0.262 360 L C 0.267 177.120 176.870 -0.028 0.000 1.093 360 L CA -0.675 54.139 54.840 -0.043 0.000 0.801 360 L CB 1.427 43.465 42.059 -0.034 0.000 1.191 360 L HN 0.461 nan 8.230 nan 0.000 0.459 361 S N -0.182 115.504 115.700 -0.023 0.000 2.475 361 S HA 0.485 4.956 4.470 0.002 0.000 0.298 361 S C 0.166 174.763 174.600 -0.006 0.000 1.119 361 S CA -0.687 57.505 58.200 -0.012 0.000 1.085 361 S CB 1.708 64.903 63.200 -0.008 0.000 1.028 361 S HN 0.764 nan 8.310 nan 0.000 0.489 362 G N 1.211 110.009 108.800 -0.002 0.000 2.380 362 G HA2 0.512 4.474 3.960 0.002 0.000 0.242 362 G HA3 0.512 4.474 3.960 0.002 0.000 0.242 362 G C -0.296 174.608 174.900 0.007 0.000 1.298 362 G CA 0.025 45.127 45.100 0.003 0.000 0.878 362 G HN 0.978 nan 8.290 nan 0.000 0.542 363 A N 2.067 124.893 122.820 0.011 0.000 2.586 363 A HA 0.665 4.986 4.320 0.002 0.000 0.290 363 A C -0.555 177.039 177.584 0.018 0.000 1.086 363 A CA -0.807 51.238 52.037 0.013 0.000 0.665 363 A CB 0.992 19.999 19.000 0.012 0.000 1.279 363 A HN 0.671 nan 8.150 nan 0.000 0.423 364 Q N 0.316 120.127 119.800 0.019 0.000 2.288 364 Q HA 0.504 4.845 4.340 0.002 0.000 0.258 364 Q C -0.078 175.935 176.000 0.020 0.000 0.957 364 Q CA -0.413 55.404 55.803 0.022 0.000 0.919 364 Q CB 1.378 30.130 28.738 0.022 0.000 1.185 364 Q HN 0.963 nan 8.270 nan 0.000 0.408 365 V N -0.550 119.377 119.914 0.022 0.000 3.160 365 V HA 0.695 4.816 4.120 0.002 0.000 0.310 365 V C -0.880 175.223 176.094 0.015 0.000 1.181 365 V CA -1.285 61.026 62.300 0.018 0.000 1.047 365 V CB 2.325 34.159 31.823 0.018 0.000 1.068 365 V HN 0.840 nan 8.190 nan 0.000 0.441 366 M N 2.363 121.969 119.600 0.011 0.000 2.253 366 M HA 0.805 5.286 4.480 0.002 0.000 0.314 366 M C -0.158 176.135 176.300 -0.012 0.000 1.019 366 M CA -0.637 54.668 55.300 0.008 0.000 0.932 366 M CB 1.592 34.204 32.600 0.019 0.000 1.606 366 M HN 1.243 nan 8.290 nan 0.000 0.430 367 A N 2.791 125.593 122.820 -0.029 0.000 2.440 367 A HA 0.455 4.776 4.320 0.002 0.000 0.251 367 A C 0.820 178.315 177.584 -0.149 0.000 1.089 367 A CA 0.158 52.143 52.037 -0.087 0.000 0.779 367 A CB 0.007 18.953 19.000 -0.090 0.000 1.022 367 A HN 0.958 nan 8.150 nan 0.000 0.492 368 T N -1.433 112.947 114.554 -0.291 0.000 2.955 368 T HA 0.346 4.698 4.350 0.002 0.000 0.251 368 T C 0.035 174.286 174.700 -0.748 0.000 1.002 368 T CA 0.672 62.556 62.100 -0.360 0.000 0.970 368 T CB -0.382 68.400 68.868 -0.142 0.000 1.091 368 T HN 0.849 nan 8.240 nan 0.000 0.495 369 D N -0.730 119.222 120.400 -0.746 0.000 2.639 369 D HA 0.419 5.060 4.640 0.002 0.000 0.271 369 D C 0.695 176.785 176.300 -0.350 0.000 1.254 369 D CA -0.955 52.686 54.000 -0.599 0.000 0.810 369 D CB 0.779 41.409 40.800 -0.282 0.000 1.351 369 D HN -0.103 nan 8.370 nan 0.000 0.427 370 L N 0.620 121.755 121.223 -0.146 0.000 1.951 370 L HA -0.149 4.192 4.340 0.002 0.000 0.222 370 L C 1.997 178.885 176.870 0.029 0.000 1.078 370 L CA 1.954 56.793 54.840 -0.001 0.000 0.778 370 L CB -0.694 41.390 42.059 0.042 0.000 0.893 370 L HN 0.499 nan 8.230 nan 0.000 0.436 371 R N -0.005 120.503 120.500 0.013 0.000 2.115 371 R HA 0.015 4.357 4.340 0.002 0.000 0.230 371 R C 2.174 178.436 176.300 -0.064 0.000 1.111 371 R CA 1.244 57.360 56.100 0.026 0.000 0.976 371 R CB -1.558 28.752 30.300 0.016 0.000 0.870 371 R HN 0.592 nan 8.270 nan 0.000 0.445 372 A N 1.323 124.083 122.820 -0.099 0.000 1.930 372 A HA -0.163 4.158 4.320 0.002 0.000 0.217 372 A C 2.358 179.891 177.584 -0.085 0.000 1.175 372 A CA 1.879 53.858 52.037 -0.097 0.000 0.627 372 A CB -0.521 18.457 19.000 -0.036 0.000 0.815 372 A HN 0.453 nan 8.150 nan 0.000 0.443 373 S N 0.197 115.830 115.700 -0.112 0.000 2.383 373 S HA 0.046 4.517 4.470 0.002 0.000 0.227 373 S C 2.081 176.607 174.600 -0.122 0.000 1.026 373 S CA 1.297 59.429 58.200 -0.113 0.000 0.981 373 S CB -0.630 62.494 63.200 -0.126 0.000 0.818 373 S HN 0.873 nan 8.310 nan 0.000 0.472 374 A N 1.600 124.322 122.820 -0.163 0.000 1.930 374 A HA 0.054 4.375 4.320 0.002 0.000 0.217 374 A C 2.431 179.903 177.584 -0.188 0.000 1.175 374 A CA 1.712 53.576 52.037 -0.289 0.000 0.627 374 A CB -1.068 17.649 19.000 -0.472 0.000 0.815 374 A HN 0.574 nan 8.150 nan 0.000 0.443 375 S N -0.029 115.596 115.700 -0.124 0.000 2.387 375 S HA -0.021 4.450 4.470 0.002 0.000 0.226 375 S C 1.788 176.359 174.600 -0.049 0.000 1.026 375 S CA 1.192 59.340 58.200 -0.087 0.000 0.972 375 S CB -0.384 62.762 63.200 -0.089 0.000 0.814 375 S HN 0.519 nan 8.310 nan 0.000 0.477 376 L N 1.047 122.250 121.223 -0.034 0.000 2.093 376 L HA -0.064 4.277 4.340 0.002 0.000 0.208 376 L C 2.325 179.193 176.870 -0.002 0.000 1.085 376 L CA 0.856 55.692 54.840 -0.006 0.000 0.755 376 L CB -0.743 41.315 42.059 -0.002 0.000 0.904 376 L HN 0.209 nan 8.230 nan 0.000 0.435 377 V N 0.251 120.161 119.914 -0.007 0.000 2.295 377 V HA -0.280 3.841 4.120 0.002 0.000 0.246 377 V C 2.443 178.528 176.094 -0.015 0.000 1.049 377 V CA 1.553 63.871 62.300 0.031 0.000 1.024 377 V CB -0.324 31.546 31.823 0.078 0.000 0.648 377 V HN 0.343 nan 8.190 nan 0.000 0.447 378 L N 0.032 121.221 121.223 -0.057 0.000 2.046 378 L HA -0.175 4.167 4.340 0.002 0.000 0.208 378 L C 2.737 179.585 176.870 -0.037 0.000 1.077 378 L CA 1.596 56.399 54.840 -0.062 0.000 0.747 378 L CB -0.846 41.159 42.059 -0.090 0.000 0.896 378 L HN 0.382 nan 8.230 nan 0.000 0.432 379 A N 0.377 123.180 122.820 -0.028 0.000 1.933 379 A HA -0.134 4.188 4.320 0.002 0.000 0.218 379 A C 2.394 179.971 177.584 -0.011 0.000 1.175 379 A CA 1.714 53.740 52.037 -0.018 0.000 0.628 379 A CB -1.152 17.844 19.000 -0.006 0.000 0.814 379 A HN 0.454 nan 8.150 nan 0.000 0.444 380 G N -1.045 107.753 108.800 -0.003 0.000 2.432 380 G HA2 -0.231 3.730 3.960 0.002 0.000 0.219 380 G HA3 -0.231 3.730 3.960 0.002 0.000 0.219 380 G C 1.516 176.411 174.900 -0.008 0.000 1.135 380 G CA 1.272 46.373 45.100 0.002 0.000 0.767 380 G HN 0.529 nan 8.290 nan 0.000 0.550 381 C N 0.724 120.015 119.300 -0.015 0.000 2.435 381 C HA 0.051 4.512 4.460 0.002 0.000 0.279 381 C C 2.577 177.557 174.990 -0.017 0.000 1.321 381 C CA 0.843 59.849 59.018 -0.019 0.000 1.752 381 C CB -0.874 26.854 27.740 -0.021 0.000 1.959 381 C HN 0.659 nan 8.230 nan 0.000 0.500 382 I N -1.206 119.353 120.570 -0.018 0.000 3.956 382 I HA 0.399 4.570 4.170 0.002 0.000 0.333 382 I C 0.956 177.062 176.117 -0.018 0.000 1.302 382 I CA -0.130 61.159 61.300 -0.018 0.000 1.122 382 I CB -0.370 37.616 38.000 -0.023 0.000 1.013 382 I HN 0.069 nan 8.210 nan 0.000 0.405 383 A N 1.402 124.213 122.820 -0.015 0.000 2.287 383 A HA 0.423 4.745 4.320 0.002 0.000 0.273 383 A C -0.220 177.357 177.584 -0.012 0.000 1.091 383 A CA -0.276 51.752 52.037 -0.015 0.000 0.817 383 A CB 0.401 19.395 19.000 -0.011 0.000 1.069 383 A HN 0.343 nan 8.150 nan 0.000 0.492 384 E N -0.060 120.133 120.200 -0.012 0.000 2.070 384 E HA 0.477 4.829 4.350 0.002 0.000 0.282 384 E C 0.687 177.284 176.600 -0.005 0.000 1.104 384 E CA 1.514 57.908 56.400 -0.009 0.000 0.876 384 E CB 0.008 29.702 29.700 -0.010 0.000 1.055 384 E HN 1.411 nan 8.360 nan 0.000 0.401 385 G N 2.894 111.691 108.800 -0.004 0.000 2.416 385 G HA2 -0.178 3.783 3.960 0.002 0.000 0.203 385 G HA3 -0.178 3.783 3.960 0.002 0.000 0.203 385 G C -0.557 174.343 174.900 -0.000 0.000 1.227 385 G CA -0.409 44.690 45.100 -0.002 0.000 1.041 385 G HN 0.515 nan 8.290 nan 0.000 0.546 386 T N 1.346 115.902 114.554 0.004 0.000 2.767 386 T HA 0.666 5.018 4.350 0.002 0.000 0.284 386 T C -0.179 174.529 174.700 0.013 0.000 0.973 386 T CA 0.301 62.406 62.100 0.008 0.000 0.996 386 T CB 1.513 70.386 68.868 0.010 0.000 0.927 386 T HN 0.720 nan 8.240 nan 0.000 0.456 387 T N 2.805 117.370 114.554 0.018 0.000 2.824 387 T HA 0.519 4.871 4.350 0.002 0.000 0.282 387 T C -0.467 174.259 174.700 0.042 0.000 0.993 387 T CA -0.520 61.595 62.100 0.025 0.000 0.967 387 T CB 1.224 70.105 68.868 0.023 0.000 0.960 387 T HN 0.328 nan 8.240 nan 0.000 0.441 388 V N 4.088 124.029 119.914 0.044 0.000 2.350 388 V HA 0.365 4.487 4.120 0.002 0.000 0.285 388 V C -0.143 175.985 176.094 0.057 0.000 1.014 388 V CA -0.776 61.560 62.300 0.060 0.000 0.831 388 V CB 1.587 33.439 31.823 0.048 0.000 1.000 388 V HN 0.710 nan 8.190 nan 0.000 0.433 389 V N 4.183 124.144 119.914 0.077 0.000 2.334 389 V HA 0.275 4.396 4.120 0.002 0.000 0.267 389 V C 0.139 176.236 176.094 0.004 0.000 1.040 389 V CA -0.355 61.968 62.300 0.038 0.000 0.866 389 V CB 1.316 33.164 31.823 0.043 0.000 1.019 389 V HN 0.891 nan 8.190 nan 0.000 0.468 390 D N 4.105 124.507 120.400 0.004 0.000 2.344 390 D HA 0.296 4.938 4.640 0.002 0.000 0.244 390 D C 0.770 177.058 176.300 -0.019 0.000 1.134 390 D CA -0.176 53.827 54.000 0.005 0.000 0.930 390 D CB 0.491 41.307 40.800 0.027 0.000 1.175 390 D HN 0.505 nan 8.370 nan 0.000 0.437 391 R N 1.604 122.105 120.500 0.002 0.000 3.336 391 R HA -0.184 4.157 4.340 0.002 0.000 0.260 391 R C 0.813 176.971 176.300 -0.237 0.000 1.032 391 R CA 0.539 56.634 56.100 -0.010 0.000 0.693 391 R CB -2.188 28.136 30.300 0.039 0.000 1.134 391 R HN 0.452 nan 8.270 nan 0.000 0.433 392 I N -2.208 118.212 120.570 -0.251 0.000 3.334 392 I HA -0.108 4.063 4.170 0.002 0.000 0.282 392 I C 1.971 177.877 176.117 -0.351 0.000 1.313 392 I CA 0.498 61.548 61.300 -0.418 0.000 1.396 392 I CB -0.922 36.550 38.000 -0.880 0.000 1.054 392 I HN 0.347 nan 8.210 nan 0.000 0.495 393 Y N -0.247 119.926 120.300 -0.211 0.000 2.315 393 Y HA -0.203 4.349 4.550 0.002 0.000 0.288 393 Y C 2.338 178.151 175.900 -0.146 0.000 1.154 393 Y CA 1.332 59.322 58.100 -0.183 0.000 1.229 393 Y CB -1.536 36.802 38.460 -0.204 0.000 0.980 393 Y HN 0.199 nan 8.280 nan 0.000 0.540 394 H N 0.603 119.240 119.070 -0.721 0.000 2.352 394 H HA -0.176 4.381 4.556 0.002 0.000 0.299 394 H C 2.328 177.564 175.328 -0.154 0.000 1.097 394 H CA 2.001 57.781 56.048 -0.447 0.000 1.311 394 H CB -0.337 29.130 29.762 -0.491 0.000 1.377 394 H HN 0.508 nan 8.280 nan 0.000 0.504 395 I N 1.054 121.602 120.570 -0.035 0.000 2.614 395 I HA -0.197 3.974 4.170 0.002 0.000 0.258 395 I C 1.191 177.397 176.117 0.148 0.000 1.189 395 I CA 1.006 62.335 61.300 0.050 0.000 1.462 395 I CB 0.027 37.972 38.000 -0.090 0.000 1.092 395 I HN 0.091 nan 8.210 nan 0.000 0.442 396 D N 0.453 120.901 120.400 0.081 0.000 2.348 396 D HA -0.087 4.555 4.640 0.002 0.000 0.216 396 D C 2.053 178.422 176.300 0.115 0.000 0.970 396 D CA 0.477 54.546 54.000 0.115 0.000 0.889 396 D CB -0.079 40.775 40.800 0.089 0.000 0.912 396 D HN 0.383 nan 8.370 nan 0.000 0.524 397 R N 0.000 120.567 120.500 0.111 0.000 2.115 397 R HA 0.001 4.343 4.340 0.002 0.000 0.226 397 R C 1.768 178.104 176.300 0.061 0.000 1.100 397 R CA 1.139 57.293 56.100 0.089 0.000 0.980 397 R CB 0.116 30.472 30.300 0.093 0.000 0.875 397 R HN 0.117 nan 8.270 nan 0.000 0.445 398 G N -1.510 107.332 108.800 0.070 0.000 3.443 398 G HA2 0.114 4.075 3.960 0.002 0.000 0.252 398 G HA3 0.114 4.075 3.960 0.002 0.000 0.252 398 G C -0.549 174.186 174.900 -0.275 0.000 1.015 398 G CA -0.205 44.840 45.100 -0.092 0.000 0.891 398 G HN 0.051 nan 8.290 nan 0.000 0.510 399 Y N 0.439 120.774 120.300 0.057 0.000 2.373 399 Y HA 0.449 5.000 4.550 0.002 0.000 0.336 399 Y C -0.128 175.834 175.900 0.103 0.000 0.979 399 Y CA -1.289 56.862 58.100 0.086 0.000 1.080 399 Y CB 1.893 40.402 38.460 0.082 0.000 1.190 399 Y HN -0.001 nan 8.280 nan 0.000 0.446 400 E N 4.562 124.898 120.200 0.227 0.000 2.129 400 E HA 0.175 4.527 4.350 0.002 0.000 0.283 400 E C -0.210 176.507 176.600 0.195 0.000 1.080 400 E CA -0.367 56.134 56.400 0.169 0.000 0.867 400 E CB 0.304 30.073 29.700 0.115 0.000 1.056 400 E HN 0.502 nan 8.360 nan 0.000 0.404 401 R N 3.631 124.237 120.500 0.177 0.000 3.158 401 R HA -0.231 4.110 4.340 0.002 0.000 0.244 401 R C 0.758 177.175 176.300 0.196 0.000 0.900 401 R CA 0.397 56.596 56.100 0.165 0.000 0.618 401 R CB -2.078 28.289 30.300 0.112 0.000 1.061 401 R HN 0.813 nan 8.270 nan 0.000 0.471 402 I N 0.834 121.555 120.570 0.252 0.000 2.493 402 I HA -0.261 3.910 4.170 0.002 0.000 0.254 402 I C 2.287 178.495 176.117 0.152 0.000 1.160 402 I CA 1.824 63.278 61.300 0.256 0.000 1.445 402 I CB 0.157 38.262 38.000 0.176 0.000 1.086 402 I HN 0.477 nan 8.210 nan 0.000 0.433 403 E N -0.035 120.211 120.200 0.077 0.000 2.106 403 E HA -0.256 4.095 4.350 0.002 0.000 0.192 403 E C 1.287 177.854 176.600 -0.056 0.000 0.984 403 E CA 1.382 57.702 56.400 -0.134 0.000 0.806 403 E CB -0.351 29.183 29.700 -0.276 0.000 0.750 403 E HN 0.448 nan 8.360 nan 0.000 0.458 404 D N 1.469 121.876 120.400 0.012 0.000 2.123 404 D HA -0.066 4.575 4.640 0.002 0.000 0.200 404 D C 1.815 178.121 176.300 0.011 0.000 0.976 404 D CA 1.080 55.085 54.000 0.008 0.000 0.831 404 D CB -0.052 40.763 40.800 0.024 0.000 0.974 404 D HN 0.205 nan 8.370 nan 0.000 0.469 405 K N 0.251 120.680 120.400 0.049 0.000 2.057 405 K HA -0.017 4.304 4.320 0.002 0.000 0.206 405 K C 2.301 178.927 176.600 0.043 0.000 1.050 405 K CA 0.554 56.847 56.287 0.010 0.000 0.935 405 K CB -0.146 32.361 32.500 0.013 0.000 0.715 405 K HN 0.137 nan 8.250 nan 0.000 0.439 406 L N 0.589 121.888 121.223 0.127 0.000 2.083 406 L HA -0.156 4.185 4.340 0.002 0.000 0.209 406 L C 2.745 179.625 176.870 0.018 0.000 1.083 406 L CA 1.087 55.991 54.840 0.107 0.000 0.752 406 L CB -0.330 41.767 42.059 0.063 0.000 0.899 406 L HN 0.191 nan 8.230 nan 0.000 0.433 407 R N 0.324 120.813 120.500 -0.018 0.000 2.096 407 R HA -0.155 4.186 4.340 0.002 0.000 0.235 407 R C 2.233 178.518 176.300 -0.025 0.000 1.127 407 R CA 1.319 57.398 56.100 -0.035 0.000 0.968 407 R CB -0.200 30.070 30.300 -0.049 0.000 0.861 407 R HN 0.334 nan 8.270 nan 0.000 0.440 408 A N 0.394 123.199 122.820 -0.025 0.000 2.125 408 A HA -0.054 4.268 4.320 0.002 0.000 0.219 408 A C 1.795 179.360 177.584 -0.032 0.000 1.156 408 A CA 0.877 52.894 52.037 -0.033 0.000 0.671 408 A CB -0.178 18.794 19.000 -0.048 0.000 0.794 408 A HN 0.346 nan 8.150 nan 0.000 0.459 409 L N -1.862 119.350 121.223 -0.019 0.000 2.607 409 L HA 0.279 4.620 4.340 0.002 0.000 0.228 409 L C 1.498 178.364 176.870 -0.006 0.000 1.123 409 L CA 0.551 55.386 54.840 -0.009 0.000 0.890 409 L CB 0.198 42.270 42.059 0.022 0.000 1.103 409 L HN 0.529 nan 8.230 nan 0.000 0.468 410 G N -0.026 108.766 108.800 -0.012 0.000 2.163 410 G HA2 -0.186 3.775 3.960 0.002 0.000 0.213 410 G HA3 -0.186 3.775 3.960 0.002 0.000 0.213 410 G C 0.305 175.195 174.900 -0.017 0.000 0.991 410 G CA -0.154 44.937 45.100 -0.015 0.000 0.653 410 G HN 0.400 nan 8.290 nan 0.000 0.518 411 A N 0.027 122.836 122.820 -0.019 0.000 2.388 411 A HA 0.617 4.939 4.320 0.002 0.000 0.257 411 A C 0.453 178.009 177.584 -0.046 0.000 1.095 411 A CA 0.052 52.070 52.037 -0.031 0.000 0.791 411 A CB 0.456 19.435 19.000 -0.035 0.000 1.029 411 A HN 0.504 nan 8.150 nan 0.000 0.489 412 N N 1.877 120.549 118.700 -0.047 0.000 2.589 412 N HA 0.389 5.130 4.740 0.002 0.000 0.232 412 N C -1.343 174.123 175.510 -0.074 0.000 1.015 412 N CA -0.026 52.994 53.050 -0.050 0.000 0.931 412 N CB 0.362 38.829 38.487 -0.034 0.000 1.150 412 N HN 0.657 nan 8.380 nan 0.000 0.512 413 I N 1.221 121.725 120.570 -0.111 0.000 2.686 413 I HA 0.420 4.591 4.170 0.002 0.000 0.295 413 I C -1.295 174.705 176.117 -0.194 0.000 1.114 413 I CA -0.669 60.520 61.300 -0.184 0.000 1.038 413 I CB 2.120 39.945 38.000 -0.292 0.000 1.238 413 I HN 0.395 nan 8.210 nan 0.000 0.420 414 E N 7.025 127.117 120.200 -0.180 0.000 2.290 414 E HA 0.357 4.708 4.350 0.002 0.000 0.274 414 E C -1.458 175.125 176.600 -0.029 0.000 0.889 414 E CA -0.931 55.407 56.400 -0.103 0.000 0.760 414 E CB 1.858 31.538 29.700 -0.033 0.000 1.206 414 E HN 0.617 nan 8.360 nan 0.000 0.419 415 R N 4.254 124.777 120.500 0.039 0.000 2.196 415 R HA 0.339 4.681 4.340 0.002 0.000 0.340 415 R C -0.469 175.925 176.300 0.157 0.000 1.043 415 R CA -0.381 55.870 56.100 0.251 0.000 0.883 415 R CB 0.615 31.105 30.300 0.316 0.000 1.078 415 R HN 0.388 nan 8.270 nan 0.000 0.462 416 V N 1.363 121.370 119.914 0.155 0.000 3.103 416 V HA 0.582 4.703 4.120 0.002 0.000 0.318 416 V C -0.120 176.023 176.094 0.082 0.000 1.114 416 V CA -0.874 61.482 62.300 0.094 0.000 1.020 416 V CB 2.127 33.994 31.823 0.074 0.000 1.085 416 V HN 0.630 nan 8.190 nan 0.000 0.446 417 K N 1.295 121.729 120.400 0.057 0.000 3.946 417 K HA 0.475 4.796 4.320 0.002 0.000 0.173 417 K C 1.520 178.143 176.600 0.037 0.000 1.146 417 K CA 0.562 56.875 56.287 0.044 0.000 1.694 417 K CB -1.005 31.515 32.500 0.034 0.000 2.333 417 K HN 1.823 nan 8.250 nan 0.000 0.498 418 G N 2.944 111.762 108.800 0.029 0.000 2.187 418 G HA2 -0.373 3.588 3.960 0.002 0.000 0.261 418 G HA3 -0.373 3.588 3.960 0.002 0.000 0.261 418 G C 0.044 174.958 174.900 0.023 0.000 1.000 418 G CA 1.552 46.667 45.100 0.025 0.000 0.718 418 G HN 0.617 nan 8.290 nan 0.000 0.519 419 E N 0.000 120.213 120.200 0.021 0.000 2.725 419 E HA 0.000 4.351 4.350 0.002 0.000 0.291 419 E CA 0.000 56.411 56.400 0.018 0.000 0.976 419 E CB 0.000 29.706 29.700 0.010 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440