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 3kr6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGXTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR 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 0.000 176.300 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.638 32.600 0.062 0.000 1.302 2 D N 4.486 124.874 120.400 -0.021 0.000 2.382 2 D HA 0.433 5.073 4.640 -0.000 0.000 0.240 2 D C -0.717 175.502 176.300 -0.136 0.000 1.146 2 D CA 0.535 54.481 54.000 -0.089 0.000 0.897 2 D CB 0.811 41.527 40.800 -0.140 0.000 1.197 2 D HN 0.450 nan 8.370 nan 0.000 0.432 3 K N 0.249 120.551 120.400 -0.164 0.000 2.480 3 K HA 0.523 4.843 4.320 -0.000 0.000 0.258 3 K C -0.968 175.532 176.600 -0.167 0.000 0.990 3 K CA -0.775 55.425 56.287 -0.145 0.000 0.857 3 K CB 1.835 34.314 32.500 -0.036 0.000 1.384 3 K HN 0.252 nan 8.250 nan 0.000 0.446 4 F N 1.155 121.101 119.950 -0.007 0.000 2.444 4 F HA 0.409 4.936 4.527 -0.000 0.000 0.342 4 F C 0.204 175.998 175.800 -0.010 0.000 1.121 4 F CA -0.877 57.117 58.000 -0.010 0.000 0.997 4 F CB 1.834 40.821 39.000 -0.022 0.000 1.130 4 F HN 0.223 nan 8.300 nan 0.000 0.454 5 R N 4.008 124.637 120.500 0.215 0.000 2.295 5 R HA 0.685 5.025 4.340 -0.000 0.000 0.324 5 R C -1.929 174.414 176.300 0.072 0.000 0.968 5 R CA -0.398 55.766 56.100 0.107 0.000 0.837 5 R CB 1.314 31.659 30.300 0.074 0.000 1.133 5 R HN 0.520 nan 8.270 nan 0.000 0.450 6 V N 4.429 124.364 119.914 0.036 0.000 2.604 6 V HA 0.344 4.464 4.120 -0.000 0.000 0.305 6 V C -0.640 175.451 176.094 -0.006 0.000 1.043 6 V CA -0.959 61.337 62.300 -0.006 0.000 0.888 6 V CB 1.922 33.725 31.823 -0.034 0.000 0.995 6 V HN 0.725 nan 8.190 nan 0.000 0.429 7 Q N 2.662 122.455 119.800 -0.013 0.000 2.322 7 Q HA 0.669 5.009 4.340 -0.000 0.000 0.265 7 Q C 0.091 176.081 176.000 -0.017 0.000 0.985 7 Q CA -0.154 55.643 55.803 -0.010 0.000 0.849 7 Q CB 2.392 31.126 28.738 -0.006 0.000 1.274 7 Q HN 0.973 nan 8.270 nan 0.000 0.449 8 G N 2.505 111.295 108.800 -0.016 0.000 2.714 8 G HA2 0.767 4.727 3.960 -0.000 0.000 0.292 8 G HA3 0.767 4.727 3.960 -0.000 0.000 0.292 8 G C -2.784 172.107 174.900 -0.016 0.000 1.308 8 G CA -1.320 43.768 45.100 -0.020 0.000 0.964 8 G HN 0.317 nan 8.290 nan 0.000 0.484 9 P HA 0.396 nan 4.420 nan 0.000 0.287 9 P C -0.769 176.519 177.300 -0.020 0.000 1.270 9 P CA -0.245 62.843 63.100 -0.021 0.000 0.844 9 P CB 1.792 33.480 31.700 -0.020 0.000 1.068 10 T N -1.679 112.860 114.554 -0.024 0.000 2.928 10 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 10 T C -0.446 174.241 174.700 -0.023 0.000 1.000 10 T CA -0.991 61.096 62.100 -0.023 0.000 0.989 10 T CB 1.352 70.205 68.868 -0.025 0.000 1.005 10 T HN 0.348 nan 8.240 nan 0.000 0.442 11 K N 3.749 124.137 120.400 -0.020 0.000 2.349 11 K HA 0.389 4.709 4.320 -0.000 0.000 0.288 11 K C -0.621 175.969 176.600 -0.018 0.000 1.058 11 K CA -0.665 55.611 56.287 -0.019 0.000 0.953 11 K CB 0.231 32.721 32.500 -0.018 0.000 0.997 11 K HN 0.633 nan 8.250 nan 0.000 0.477 12 L N 6.349 127.564 121.223 -0.014 0.000 2.260 12 L HA 0.261 4.601 4.340 -0.000 0.000 0.289 12 L C -0.125 176.742 176.870 -0.006 0.000 1.057 12 L CA -0.318 54.519 54.840 -0.005 0.000 0.811 12 L CB 0.883 42.949 42.059 0.012 0.000 1.184 12 L HN 0.749 nan 8.230 nan 0.000 0.429 13 Q N 2.827 122.618 119.800 -0.014 0.000 2.435 13 Q HA 0.842 5.182 4.340 -0.000 0.000 0.282 13 Q C -0.422 175.559 176.000 -0.032 0.000 1.020 13 Q CA -0.598 55.191 55.803 -0.022 0.000 0.820 13 Q CB 3.035 31.756 28.738 -0.029 0.000 1.436 13 Q HN 0.661 nan 8.270 nan 0.000 0.395 14 G N 1.140 109.917 108.800 -0.039 0.000 2.233 14 G HA2 0.060 4.020 3.960 -0.000 0.000 0.162 14 G HA3 0.060 4.020 3.960 -0.000 0.000 0.162 14 G C -1.550 173.312 174.900 -0.063 0.000 1.327 14 G CA -0.387 44.682 45.100 -0.053 0.000 1.187 14 G HN 0.666 nan 8.290 nan 0.000 0.479 15 E N -1.558 118.593 120.200 -0.082 0.000 2.416 15 E HA 0.655 5.005 4.350 -0.000 0.000 0.273 15 E C -1.557 174.954 176.600 -0.148 0.000 0.935 15 E CA -0.843 55.500 56.400 -0.096 0.000 0.784 15 E CB 3.246 32.892 29.700 -0.089 0.000 1.301 15 E HN 0.901 nan 8.360 nan 0.000 0.454 16 V N 0.651 120.461 119.914 -0.173 0.000 3.012 16 V HA 0.442 4.562 4.120 -0.000 0.000 0.307 16 V C -1.497 174.495 176.094 -0.169 0.000 1.166 16 V CA -0.255 61.880 62.300 -0.275 0.000 0.974 16 V CB 2.477 33.935 31.823 -0.609 0.000 1.040 16 V HN 0.733 nan 8.190 nan 0.000 0.428 17 T N 7.387 121.856 114.554 -0.142 0.000 2.758 17 T HA 0.529 4.879 4.350 -0.000 0.000 0.285 17 T C -0.181 174.491 174.700 -0.047 0.000 0.981 17 T CA -0.260 61.801 62.100 -0.065 0.000 0.965 17 T CB 0.639 69.481 68.868 -0.044 0.000 0.927 17 T HN 0.469 nan 8.240 nan 0.000 0.448 18 I N 3.192 123.760 120.570 -0.003 0.000 2.588 18 I HA 0.152 4.322 4.170 -0.000 0.000 0.283 18 I C 1.139 177.277 176.117 0.035 0.000 1.119 18 I CA 0.122 61.446 61.300 0.041 0.000 1.419 18 I CB 0.480 38.519 38.000 0.065 0.000 1.394 18 I HN 0.560 nan 8.210 nan 0.000 0.562 19 S N 3.939 119.669 115.700 0.050 0.000 2.669 19 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 19 S C 0.621 175.232 174.600 0.018 0.000 1.225 19 S CA -0.601 57.618 58.200 0.032 0.000 0.991 19 S CB 1.362 64.588 63.200 0.045 0.000 0.987 19 S HN 0.847 nan 8.310 nan 0.000 0.552 20 G N 0.264 109.066 108.800 0.005 0.000 2.554 20 G HA2 0.435 4.395 3.960 -0.000 0.000 0.238 20 G HA3 0.435 4.395 3.960 -0.000 0.000 0.238 20 G C -0.030 174.866 174.900 -0.008 0.000 1.259 20 G CA -0.338 44.759 45.100 -0.005 0.000 0.843 20 G HN 0.904 nan 8.290 nan 0.000 0.582 21 A N 1.495 124.309 122.820 -0.010 0.000 2.522 21 A HA 0.236 4.556 4.320 -0.000 0.000 0.256 21 A C 1.683 179.259 177.584 -0.014 0.000 1.086 21 A CA 0.252 52.279 52.037 -0.018 0.000 0.763 21 A CB 0.305 19.296 19.000 -0.016 0.000 1.024 21 A HN 0.906 nan 8.150 nan 0.000 0.502 22 K N 2.301 122.686 120.400 -0.025 0.000 2.020 22 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 22 K C 0.563 177.188 176.600 0.042 0.000 1.050 22 K CA 2.098 58.383 56.287 -0.004 0.000 0.929 22 K CB -0.125 32.354 32.500 -0.036 0.000 0.714 22 K HN 0.753 nan 8.250 nan 0.000 0.443 23 N N -0.135 118.590 118.700 0.042 0.000 2.449 23 N HA 0.019 4.759 4.740 -0.000 0.000 0.191 23 N C 0.667 176.208 175.510 0.052 0.000 1.161 23 N CA 0.694 53.803 53.050 0.099 0.000 0.863 23 N CB 0.756 39.307 38.487 0.107 0.000 0.980 23 N HN 0.340 nan 8.380 nan 0.000 0.458 24 A N -0.070 122.751 122.820 0.003 0.000 1.999 24 A HA 0.437 4.757 4.320 -0.000 0.000 0.200 24 A C 2.137 179.678 177.584 -0.072 0.000 1.363 24 A CA 0.689 52.698 52.037 -0.047 0.000 0.844 24 A CB -0.381 18.602 19.000 -0.027 0.000 0.954 24 A HN 0.169 nan 8.150 nan 0.000 0.481 25 A N 0.433 123.230 122.820 -0.038 0.000 1.908 25 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 25 A C 2.115 179.674 177.584 -0.042 0.000 1.181 25 A CA 1.593 53.593 52.037 -0.062 0.000 0.627 25 A CB -0.686 18.294 19.000 -0.033 0.000 0.818 25 A HN 0.452 nan 8.150 nan 0.000 0.445 26 L N -0.155 121.110 121.223 0.070 0.000 1.994 26 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 26 L C -0.270 176.749 176.870 0.248 0.000 1.071 26 L CA 1.642 56.627 54.840 0.243 0.000 0.745 26 L CB -1.432 40.882 42.059 0.425 0.000 0.892 26 L HN 0.292 nan 8.230 nan 0.000 0.431 27 P HA -0.159 nan 4.420 nan 0.000 0.220 27 P C 1.818 178.966 177.300 -0.253 0.000 1.148 27 P CA 1.538 64.334 63.100 -0.506 0.000 0.803 27 P CB 0.069 31.131 31.700 -1.063 0.000 0.782 28 I N -0.716 119.683 120.570 -0.285 0.000 2.252 28 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 28 I C 2.594 178.465 176.117 -0.410 0.000 1.102 28 I CA 1.059 62.057 61.300 -0.503 0.000 1.385 28 I CB -0.534 37.026 38.000 -0.734 0.000 1.064 28 I HN -0.155 nan 8.210 nan 0.000 0.414 29 L N -0.479 120.586 121.223 -0.263 0.000 2.046 29 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 29 L C 2.394 179.107 176.870 -0.262 0.000 1.077 29 L CA 1.608 56.285 54.840 -0.272 0.000 0.747 29 L CB -0.537 41.335 42.059 -0.313 0.000 0.896 29 L HN 0.136 nan 8.230 nan 0.000 0.432 30 F N -0.463 119.500 119.950 0.021 0.000 2.259 30 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 30 F C 2.536 178.386 175.800 0.084 0.000 1.088 30 F CA 0.884 58.940 58.000 0.094 0.000 1.358 30 F CB -0.522 38.595 39.000 0.196 0.000 1.040 30 F HN -0.007 nan 8.300 nan 0.000 0.505 31 A N 0.038 122.963 122.820 0.174 0.000 2.070 31 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 31 A C 2.306 180.043 177.584 0.256 0.000 1.159 31 A CA 1.343 53.496 52.037 0.193 0.000 0.656 31 A CB -1.073 18.055 19.000 0.213 0.000 0.800 31 A HN 0.280 nan 8.150 nan 0.000 0.453 32 A N -0.379 122.582 122.820 0.236 0.000 2.172 32 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 32 A C 1.903 179.584 177.584 0.162 0.000 1.154 32 A CA 0.986 53.167 52.037 0.240 0.000 0.701 32 A CB -0.546 18.555 19.000 0.168 0.000 0.789 32 A HN 0.491 nan 8.150 nan 0.000 0.465 33 L N -0.858 120.465 121.223 0.168 0.000 2.353 33 L HA -0.129 4.211 4.340 -0.000 0.000 0.220 33 L C 2.019 178.996 176.870 0.178 0.000 1.133 33 L CA 0.659 55.623 54.840 0.207 0.000 0.798 33 L CB -0.322 41.902 42.059 0.275 0.000 0.922 33 L HN 0.415 nan 8.230 nan 0.000 0.445 34 L N -0.531 120.764 121.223 0.120 0.000 2.418 34 L HA 0.095 4.435 4.340 -0.000 0.000 0.218 34 L C 1.376 178.248 176.870 0.002 0.000 1.125 34 L CA -0.330 54.532 54.840 0.036 0.000 0.835 34 L CB -0.385 41.683 42.059 0.014 0.000 0.953 34 L HN 0.104 nan 8.230 nan 0.000 0.454 35 A N 0.586 123.428 122.820 0.037 0.000 2.454 35 A HA 0.125 4.445 4.320 -0.000 0.000 0.260 35 A C 0.688 178.286 177.584 0.023 0.000 1.106 35 A CA -0.091 51.952 52.037 0.011 0.000 0.780 35 A CB 0.038 19.061 19.000 0.039 0.000 1.044 35 A HN 0.330 nan 8.150 nan 0.000 0.498 36 E N 1.226 121.424 120.200 -0.003 0.000 2.496 36 E HA 0.115 4.465 4.350 -0.000 0.000 0.200 36 E C -0.501 176.108 176.600 0.014 0.000 1.016 36 E CA 0.032 56.437 56.400 0.009 0.000 0.962 36 E CB 0.424 30.116 29.700 -0.013 0.000 1.071 36 E HN 0.655 nan 8.360 nan 0.000 0.457 37 E N 0.446 120.656 120.200 0.015 0.000 2.408 37 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 37 E C -2.731 173.891 176.600 0.037 0.000 0.935 37 E CA -2.444 53.968 56.400 0.019 0.000 0.775 37 E CB 1.714 31.417 29.700 0.005 0.000 1.277 37 E HN -0.136 nan 8.360 nan 0.000 0.455 38 P HA 0.045 nan 4.420 nan 0.000 0.268 38 P C -0.571 176.782 177.300 0.090 0.000 1.208 38 P CA -0.185 62.954 63.100 0.065 0.000 0.777 38 P CB 0.480 32.208 31.700 0.048 0.000 0.875 39 V N -1.052 118.942 119.914 0.133 0.000 2.789 39 V HA 0.615 4.735 4.120 -0.000 0.000 0.311 39 V C -0.725 175.500 176.094 0.218 0.000 1.073 39 V CA -0.954 61.453 62.300 0.178 0.000 0.921 39 V CB 2.124 34.088 31.823 0.236 0.000 1.009 39 V HN 0.507 nan 8.190 nan 0.000 0.426 40 E N 3.645 123.977 120.200 0.220 0.000 2.165 40 E HA 0.638 4.988 4.350 -0.000 0.000 0.266 40 E C -1.405 175.258 176.600 0.106 0.000 0.889 40 E CA -0.808 55.696 56.400 0.173 0.000 0.756 40 E CB 1.760 31.601 29.700 0.234 0.000 1.131 40 E HN 0.836 nan 8.360 nan 0.000 0.411 41 I N 4.475 125.041 120.570 -0.006 0.000 2.355 41 I HA 0.210 4.380 4.170 -0.000 0.000 0.288 41 I C 0.056 176.137 176.117 -0.060 0.000 0.999 41 I CA -0.599 60.700 61.300 -0.000 0.000 1.163 41 I CB 1.523 39.474 38.000 -0.083 0.000 1.316 41 I HN 0.466 nan 8.210 nan 0.000 0.454 42 Q N 3.784 123.567 119.800 -0.027 0.000 2.205 42 Q HA 0.311 4.651 4.340 -0.000 0.000 0.249 42 Q C 0.286 176.256 176.000 -0.050 0.000 0.948 42 Q CA -0.753 55.019 55.803 -0.052 0.000 0.895 42 Q CB 0.857 29.568 28.738 -0.044 0.000 1.249 42 Q HN 0.573 nan 8.270 nan 0.000 0.458 43 N N -0.401 118.270 118.700 -0.047 0.000 2.740 43 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 43 N C -1.726 173.764 175.510 -0.033 0.000 1.062 43 N CA 0.224 53.252 53.050 -0.036 0.000 0.704 43 N CB -0.869 37.596 38.487 -0.037 0.000 0.968 43 N HN 0.314 nan 8.380 nan 0.000 0.547 44 V N 1.869 121.758 119.914 -0.041 0.000 2.432 44 V HA 0.395 4.515 4.120 -0.000 0.000 0.271 44 V C -1.382 174.698 176.094 -0.023 0.000 1.046 44 V CA -1.080 61.196 62.300 -0.040 0.000 0.945 44 V CB 1.236 33.023 31.823 -0.060 0.000 0.992 44 V HN 0.235 nan 8.190 nan 0.000 0.471 45 P HA 0.167 nan 4.420 nan 0.000 0.272 45 P C -0.817 176.488 177.300 0.010 0.000 1.223 45 P CA -0.475 62.628 63.100 0.005 0.000 0.784 45 P CB 0.878 32.582 31.700 0.008 0.000 0.923 46 K N 2.616 123.030 120.400 0.024 0.000 2.244 46 K HA 0.407 4.727 4.320 -0.000 0.000 0.263 46 K C -0.213 176.413 176.600 0.044 0.000 1.103 46 K CA -0.223 56.080 56.287 0.027 0.000 0.966 46 K CB -0.009 32.509 32.500 0.029 0.000 1.429 46 K HN 0.427 nan 8.250 nan 0.000 0.434 47 L N 1.300 122.546 121.223 0.038 0.000 2.333 47 L HA 0.358 4.698 4.340 -0.000 0.000 0.263 47 L C 1.417 178.315 176.870 0.046 0.000 1.014 47 L CA -0.927 53.943 54.840 0.051 0.000 0.820 47 L CB 1.678 43.762 42.059 0.042 0.000 1.352 47 L HN 0.396 nan 8.230 nan 0.000 0.421 48 K N 0.443 120.877 120.400 0.057 0.000 2.057 48 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 48 K C 0.963 177.588 176.600 0.042 0.000 1.049 48 K CA 1.932 58.246 56.287 0.045 0.000 0.931 48 K CB 0.180 32.714 32.500 0.056 0.000 0.714 48 K HN 0.646 nan 8.250 nan 0.000 0.440 49 D N 0.073 120.506 120.400 0.054 0.000 2.178 49 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 49 D C 1.805 178.147 176.300 0.071 0.000 0.980 49 D CA 0.747 54.787 54.000 0.067 0.000 0.842 49 D CB 0.024 40.872 40.800 0.080 0.000 0.948 49 D HN 0.019 nan 8.370 nan 0.000 0.472 50 V N 1.089 121.032 119.914 0.047 0.000 2.358 50 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 50 V C 1.777 177.874 176.094 0.006 0.000 1.047 50 V CA 1.541 63.853 62.300 0.022 0.000 1.035 50 V CB -0.316 31.511 31.823 0.006 0.000 0.658 50 V HN 0.095 nan 8.190 nan 0.000 0.452 51 D N 0.040 120.447 120.400 0.012 0.000 2.097 51 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 51 D C 2.289 178.593 176.300 0.006 0.000 0.989 51 D CA 1.926 55.928 54.000 0.004 0.000 0.827 51 D CB -0.464 40.339 40.800 0.006 0.000 0.966 51 D HN 0.381 nan 8.370 nan 0.000 0.456 52 T N 0.313 114.879 114.554 0.021 0.000 2.720 52 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 52 T C 2.180 176.911 174.700 0.053 0.000 1.037 52 T CA 1.455 63.574 62.100 0.032 0.000 1.144 52 T CB -0.238 68.654 68.868 0.040 0.000 0.864 52 T HN 0.042 nan 8.240 nan 0.000 0.444 53 S N 1.146 116.882 115.700 0.060 0.000 2.368 53 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 53 S C 2.114 176.643 174.600 -0.119 0.000 1.029 53 S CA 1.020 59.218 58.200 -0.003 0.000 0.988 53 S CB -0.347 62.809 63.200 -0.075 0.000 0.838 53 S HN 0.423 nan 8.310 nan 0.000 0.462 54 M N 1.056 120.608 119.600 -0.080 0.000 2.159 54 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 54 M C 2.085 178.359 176.300 -0.043 0.000 1.063 54 M CA 1.331 56.585 55.300 -0.076 0.000 1.110 54 M CB -0.388 32.182 32.600 -0.049 0.000 1.374 54 M HN 0.184 nan 8.290 nan 0.000 0.411 55 K N 0.401 120.790 120.400 -0.018 0.000 2.097 55 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 55 K C 1.966 178.570 176.600 0.007 0.000 1.050 55 K CA 1.011 57.295 56.287 -0.004 0.000 0.938 55 K CB -0.232 32.269 32.500 0.002 0.000 0.718 55 K HN 0.319 nan 8.250 nan 0.000 0.442 56 L N 1.275 122.513 121.223 0.025 0.000 2.017 56 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 56 L C 2.132 179.029 176.870 0.044 0.000 1.073 56 L CA 1.171 56.051 54.840 0.067 0.000 0.745 56 L CB -0.133 42.026 42.059 0.167 0.000 0.894 56 L HN 0.168 nan 8.230 nan 0.000 0.432 57 L N -0.989 120.222 121.223 -0.021 0.000 2.046 57 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 57 L C 2.610 179.475 176.870 -0.010 0.000 1.077 57 L CA 1.331 56.152 54.840 -0.031 0.000 0.747 57 L CB -0.571 41.421 42.059 -0.111 0.000 0.896 57 L HN 0.231 nan 8.230 nan 0.000 0.432 58 S N -0.630 115.061 115.700 -0.015 0.000 2.368 58 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 58 S C 1.883 176.475 174.600 -0.013 0.000 1.030 58 S CA 1.190 59.384 58.200 -0.011 0.000 0.999 58 S CB -0.232 62.962 63.200 -0.009 0.000 0.844 58 S HN 0.474 nan 8.310 nan 0.000 0.459 59 Q N 0.257 120.054 119.800 -0.006 0.000 2.364 59 Q HA 0.095 4.435 4.340 -0.000 0.000 0.207 59 Q C 1.585 177.565 176.000 -0.034 0.000 0.970 59 Q CA 0.637 56.433 55.803 -0.012 0.000 0.888 59 Q CB -0.236 28.506 28.738 0.007 0.000 0.951 59 Q HN 0.508 nan 8.270 nan 0.000 0.469 60 L N -1.301 119.906 121.223 -0.027 0.000 2.558 60 L HA 0.138 4.478 4.340 -0.000 0.000 0.225 60 L C 1.143 177.947 176.870 -0.110 0.000 1.128 60 L CA 0.532 55.331 54.840 -0.069 0.000 0.868 60 L CB 0.186 42.248 42.059 0.004 0.000 1.006 60 L HN 0.383 nan 8.230 nan 0.000 0.454 61 G N -0.126 108.635 108.800 -0.065 0.000 2.163 61 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.213 61 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.213 61 G C 0.287 175.181 174.900 -0.010 0.000 0.991 61 G CA -0.134 44.932 45.100 -0.056 0.000 0.653 61 G HN 0.425 nan 8.290 nan 0.000 0.518 62 A N 0.124 122.949 122.820 0.008 0.000 2.340 62 A HA 0.698 5.018 4.320 -0.000 0.000 0.268 62 A C 0.437 178.032 177.584 0.019 0.000 1.100 62 A CA -0.009 52.046 52.037 0.031 0.000 0.803 62 A CB 0.502 19.523 19.000 0.036 0.000 1.043 62 A HN 0.317 nan 8.150 nan 0.000 0.488 63 K N 1.171 121.588 120.400 0.029 0.000 2.253 63 K HA 0.514 4.834 4.320 -0.000 0.000 0.277 63 K C -1.258 175.361 176.600 0.032 0.000 1.053 63 K CA -0.204 56.098 56.287 0.025 0.000 0.892 63 K CB 1.332 33.849 32.500 0.028 0.000 1.102 63 K HN 0.414 nan 8.250 nan 0.000 0.469 64 V N 3.198 123.126 119.914 0.023 0.000 2.656 64 V HA 0.406 4.526 4.120 -0.000 0.000 0.307 64 V C -0.497 175.616 176.094 0.032 0.000 1.051 64 V CA -0.835 61.480 62.300 0.024 0.000 0.893 64 V CB 1.823 33.642 31.823 -0.007 0.000 0.999 64 V HN 0.916 nan 8.190 nan 0.000 0.426 65 E N 4.259 124.491 120.200 0.053 0.000 2.412 65 E HA 0.850 5.200 4.350 -0.000 0.000 0.279 65 E C -1.185 175.446 176.600 0.052 0.000 0.984 65 E CA -1.256 55.179 56.400 0.059 0.000 0.788 65 E CB 3.048 32.799 29.700 0.086 0.000 1.277 65 E HN 0.755 nan 8.360 nan 0.000 0.455 66 R N -0.047 120.474 120.500 0.035 0.000 2.762 66 R HA 0.362 4.702 4.340 -0.000 0.000 0.271 66 R C -0.760 175.549 176.300 0.015 0.000 1.038 66 R CA -0.333 55.766 56.100 -0.002 0.000 0.906 66 R CB 0.356 30.636 30.300 -0.034 0.000 1.259 66 R HN 0.554 nan 8.270 nan 0.000 0.457 67 D N 0.247 120.645 120.400 -0.004 0.000 2.230 67 D HA 0.088 4.728 4.640 -0.000 0.000 0.274 67 D C 1.429 177.733 176.300 0.006 0.000 1.222 67 D CA 0.971 54.976 54.000 0.008 0.000 0.943 67 D CB -1.021 39.782 40.800 0.004 0.000 0.920 67 D HN 0.608 nan 8.370 nan 0.000 0.300 68 G N -0.998 107.790 108.800 -0.020 0.000 2.662 68 G HA2 0.147 4.107 3.960 -0.000 0.000 0.212 68 G HA3 0.147 4.107 3.960 -0.000 0.000 0.212 68 G C 0.472 175.336 174.900 -0.061 0.000 1.141 68 G CA 0.193 45.275 45.100 -0.029 0.000 0.797 68 G HN 0.357 nan 8.290 nan 0.000 0.531 69 S N -0.805 114.836 115.700 -0.100 0.000 2.638 69 S HA 0.633 5.103 4.470 -0.000 0.000 0.298 69 S C -0.612 173.820 174.600 -0.280 0.000 1.111 69 S CA -0.490 57.594 58.200 -0.193 0.000 1.027 69 S CB 2.497 65.537 63.200 -0.265 0.000 1.064 69 S HN -0.025 nan 8.310 nan 0.000 0.525 70 V N 3.032 122.769 119.914 -0.295 0.000 2.513 70 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 70 V C -0.697 175.191 176.094 -0.343 0.000 1.035 70 V CA -0.667 61.487 62.300 -0.244 0.000 0.889 70 V CB 1.389 33.132 31.823 -0.132 0.000 0.988 70 V HN 0.797 nan 8.190 nan 0.000 0.440 71 H N 4.876 123.951 119.070 0.008 0.000 2.466 71 H HA 0.638 5.194 4.556 -0.000 0.000 0.338 71 H C -0.786 174.552 175.328 0.016 0.000 1.091 71 H CA -0.407 55.653 56.048 0.020 0.000 1.207 71 H CB 2.112 31.885 29.762 0.019 0.000 1.466 71 H HN 0.448 nan 8.280 nan 0.000 0.493 72 I N 2.234 122.892 120.570 0.147 0.000 2.533 72 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 72 I C -0.543 175.632 176.117 0.096 0.000 1.056 72 I CA -0.618 60.737 61.300 0.092 0.000 1.057 72 I CB 2.406 40.443 38.000 0.061 0.000 1.240 72 I HN 0.424 nan 8.210 nan 0.000 0.423 73 D N 5.145 125.590 120.400 0.075 0.000 2.440 73 D HA 0.476 5.116 4.640 -0.000 0.000 0.252 73 D C -0.013 176.331 176.300 0.073 0.000 1.180 73 D CA -0.357 53.685 54.000 0.069 0.000 0.894 73 D CB 1.946 42.778 40.800 0.053 0.000 1.111 73 D HN 0.608 nan 8.370 nan 0.000 0.544 74 A N 4.175 127.050 122.820 0.091 0.000 2.415 74 A HA 0.143 4.463 4.320 -0.000 0.000 0.248 74 A C 1.802 179.476 177.584 0.149 0.000 1.299 74 A CA -0.171 51.939 52.037 0.122 0.000 0.899 74 A CB -0.086 19.001 19.000 0.146 0.000 0.997 74 A HN 0.538 nan 8.150 nan 0.000 0.506 75 R N 0.395 120.962 120.500 0.112 0.000 2.120 75 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 75 R C 0.119 176.508 176.300 0.149 0.000 1.123 75 R CA 1.464 57.633 56.100 0.116 0.000 0.975 75 R CB -0.016 30.330 30.300 0.075 0.000 0.866 75 R HN 0.451 nan 8.270 nan 0.000 0.446 76 D N 0.449 120.921 120.400 0.120 0.000 2.427 76 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 76 D C -0.274 176.077 176.300 0.085 0.000 1.157 76 D CA 0.012 54.074 54.000 0.104 0.000 0.828 76 D CB 0.555 41.388 40.800 0.056 0.000 0.974 76 D HN -0.087 nan 8.370 nan 0.000 0.498 77 V N 3.431 123.427 119.914 0.136 0.000 2.644 77 V HA -0.093 4.027 4.120 -0.000 0.000 0.305 77 V C 1.286 177.285 176.094 -0.158 0.000 1.053 77 V CA 0.734 63.046 62.300 0.021 0.000 1.186 77 V CB 0.414 32.327 31.823 0.150 0.000 0.895 77 V HN 0.393 nan 8.190 nan 0.000 0.490 78 N N 3.150 121.639 118.700 -0.351 0.000 2.081 78 N HA 0.079 4.819 4.740 -0.000 0.000 0.230 78 N C -0.867 174.030 175.510 -1.021 0.000 1.351 78 N CA -0.079 52.650 53.050 -0.535 0.000 0.840 78 N CB 0.847 39.196 38.487 -0.231 0.000 1.189 78 N HN 0.347 nan 8.380 nan 0.000 0.503 79 V N 1.680 120.980 119.914 -1.025 0.000 2.540 79 V HA 0.482 4.602 4.120 -0.000 0.000 0.302 79 V C -0.626 174.932 176.094 -0.894 0.000 1.035 79 V CA -0.582 61.183 62.300 -0.892 0.000 0.873 79 V CB 1.357 32.952 31.823 -0.381 0.000 0.992 79 V HN 0.021 nan 8.190 nan 0.000 0.428 80 F N 1.649 121.540 119.950 -0.098 0.000 2.688 80 F HA 0.359 4.886 4.527 -0.000 0.000 0.310 80 F C 0.646 176.461 175.800 0.023 0.000 1.098 80 F CA -0.581 57.385 58.000 -0.058 0.000 1.228 80 F CB 0.355 39.316 39.000 -0.066 0.000 1.042 80 F HN 0.432 nan 8.300 nan 0.000 0.557 81 C N 2.399 121.760 119.300 0.102 0.000 2.281 81 C HA 0.851 5.311 4.460 -0.000 0.000 0.323 81 C C 0.616 175.688 174.990 0.137 0.000 1.270 81 C CA -0.797 58.305 59.018 0.140 0.000 1.559 81 C CB -1.079 26.713 27.740 0.087 0.000 2.239 81 C HN 0.415 nan 8.230 nan 0.000 0.488 82 A N 8.610 131.536 122.820 0.177 0.000 2.388 82 A HA 0.628 4.948 4.320 -0.000 0.000 0.257 82 A C -2.202 175.481 177.584 0.165 0.000 1.095 82 A CA -0.864 51.259 52.037 0.145 0.000 0.791 82 A CB 0.093 19.166 19.000 0.122 0.000 1.029 82 A HN 0.812 nan 8.150 nan 0.000 0.489 83 P HA -0.006 nan 4.420 nan 0.000 0.271 83 P C 0.109 177.482 177.300 0.122 0.000 1.226 83 P CA 0.106 63.288 63.100 0.137 0.000 0.765 83 P CB 0.470 32.222 31.700 0.087 0.000 0.835 84 Y N 4.999 125.335 120.300 0.061 0.000 2.102 84 Y HA -0.327 4.223 4.550 -0.000 0.000 0.280 84 Y C 2.062 177.946 175.900 -0.027 0.000 1.178 84 Y CA 2.734 60.825 58.100 -0.016 0.000 1.146 84 Y CB -0.468 38.007 38.460 0.024 0.000 0.968 84 Y HN 0.406 nan 8.280 nan 0.000 0.504 85 D N -0.204 120.211 120.400 0.025 0.000 2.149 85 D HA -0.229 4.411 4.640 -0.000 0.000 0.198 85 D C 1.958 178.171 176.300 -0.144 0.000 0.990 85 D CA 1.863 55.818 54.000 -0.075 0.000 0.839 85 D CB -0.825 39.997 40.800 0.038 0.000 0.948 85 D HN 0.513 nan 8.370 nan 0.000 0.460 86 L N 0.232 121.403 121.223 -0.086 0.000 2.209 86 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 86 L C 2.762 179.571 176.870 -0.101 0.000 1.094 86 L CA 0.188 54.991 54.840 -0.061 0.000 0.790 86 L CB -0.065 41.997 42.059 0.006 0.000 0.932 86 L HN -0.080 nan 8.230 nan 0.000 0.447 87 V N 0.178 119.995 119.914 -0.162 0.000 2.379 87 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 87 V C 2.452 178.367 176.094 -0.298 0.000 1.044 87 V CA 1.596 63.771 62.300 -0.209 0.000 1.036 87 V CB -0.314 31.376 31.823 -0.221 0.000 0.664 87 V HN 0.316 nan 8.190 nan 0.000 0.453 88 K N -0.092 120.031 120.400 -0.461 0.000 2.365 88 K HA -0.088 4.232 4.320 -0.000 0.000 0.199 88 K C 2.016 178.457 176.600 -0.266 0.000 1.045 88 K CA 1.321 57.330 56.287 -0.464 0.000 0.962 88 K CB -0.488 31.504 32.500 -0.847 0.000 0.759 88 K HN 0.360 nan 8.250 nan 0.000 0.469 89 T N -0.013 114.417 114.554 -0.207 0.000 3.088 89 T HA 0.173 4.523 4.350 -0.000 0.000 0.259 89 T C 0.416 175.071 174.700 -0.076 0.000 1.122 89 T CA 0.505 62.534 62.100 -0.120 0.000 1.095 89 T CB -0.120 68.686 68.868 -0.103 0.000 0.930 89 T HN 0.385 nan 8.240 nan 0.000 0.508 90 M N -1.975 117.564 119.600 -0.103 0.000 2.755 90 M HA 0.650 5.130 4.480 -0.000 0.000 0.273 90 M C 0.405 176.610 176.300 -0.159 0.000 1.278 90 M CA -1.056 54.192 55.300 -0.086 0.000 0.819 90 M CB 1.581 34.158 32.600 -0.038 0.000 1.694 90 M HN -0.382 nan 8.290 nan 0.000 0.460 91 R N 1.085 121.475 120.500 -0.184 0.000 2.112 91 R HA 0.365 4.705 4.340 -0.000 0.000 0.216 91 R C 1.924 177.928 176.300 -0.493 0.000 1.080 91 R CA 2.100 58.019 56.100 -0.302 0.000 0.996 91 R CB -0.751 29.386 30.300 -0.272 0.000 0.902 91 R HN 0.910 nan 8.270 nan 0.000 0.449 92 A N 0.354 122.921 122.820 -0.422 0.000 2.076 92 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 92 A C 2.008 179.158 177.584 -0.724 0.000 1.160 92 A CA 1.810 53.524 52.037 -0.537 0.000 0.653 92 A CB -0.903 18.170 19.000 0.122 0.000 0.801 92 A HN 0.584 nan 8.150 nan 0.000 0.455 93 S N -0.074 115.307 115.700 -0.532 0.000 2.419 93 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 93 S C 1.695 175.946 174.600 -0.583 0.000 1.019 93 S CA 1.277 59.148 58.200 -0.549 0.000 0.982 93 S CB -0.621 62.428 63.200 -0.253 0.000 0.789 93 S HN 0.510 nan 8.310 nan 0.000 0.490 94 I N 1.053 121.263 120.570 -0.601 0.000 2.454 94 I HA -0.042 4.128 4.170 -0.000 0.000 0.254 94 I C 1.560 177.464 176.117 -0.355 0.000 1.156 94 I CA 0.646 61.639 61.300 -0.513 0.000 1.433 94 I CB -0.619 36.959 38.000 -0.703 0.000 1.082 94 I HN 0.353 nan 8.210 nan 0.000 0.432 95 W N 0.488 121.517 121.300 -0.452 0.000 2.961 95 W HA 0.130 4.790 4.660 -0.000 0.000 0.240 95 W C 2.314 178.712 176.519 -0.203 0.000 1.305 95 W CA 0.642 57.805 57.345 -0.303 0.000 1.465 95 W CB -1.258 28.041 29.460 -0.269 0.000 1.135 95 W HN 0.305 nan 8.180 nan 0.000 0.688 96 A N -0.110 122.650 122.820 -0.100 0.000 2.016 96 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 96 A C 1.978 179.683 177.584 0.201 0.000 1.162 96 A CA 0.831 53.002 52.037 0.223 0.000 0.662 96 A CB -0.532 18.613 19.000 0.241 0.000 0.812 96 A HN 0.155 nan 8.150 nan 0.000 0.450 97 L N 0.133 121.428 121.223 0.120 0.000 1.994 97 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 97 L C 2.442 179.406 176.870 0.156 0.000 1.071 97 L CA 2.366 57.283 54.840 0.129 0.000 0.745 97 L CB -1.022 41.083 42.059 0.076 0.000 0.892 97 L HN 0.298 nan 8.230 nan 0.000 0.431 98 G N -0.726 108.178 108.800 0.172 0.000 2.446 98 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 98 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 98 G C -0.692 174.294 174.900 0.144 0.000 1.168 98 G CA 0.917 46.109 45.100 0.154 0.000 0.771 98 G HN 0.377 nan 8.290 nan 0.000 0.551 99 P HA 0.007 nan 4.420 nan 0.000 0.217 99 P C 2.059 179.484 177.300 0.207 0.000 1.150 99 P CA 0.588 63.791 63.100 0.172 0.000 0.832 99 P CB -0.058 31.776 31.700 0.222 0.000 0.787 100 L N -1.209 120.178 121.223 0.273 0.000 2.017 100 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 100 L C 2.452 179.459 176.870 0.228 0.000 1.073 100 L CA 1.276 56.335 54.840 0.365 0.000 0.745 100 L CB -1.155 41.099 42.059 0.325 0.000 0.894 100 L HN -0.105 nan 8.230 nan 0.000 0.432 101 V N -0.117 119.880 119.914 0.140 0.000 2.427 101 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 101 V C 2.595 178.708 176.094 0.032 0.000 1.051 101 V CA 1.788 64.131 62.300 0.072 0.000 1.048 101 V CB -0.022 31.841 31.823 0.066 0.000 0.666 101 V HN 0.435 nan 8.190 nan 0.000 0.456 102 A N -0.201 122.639 122.820 0.033 0.000 1.930 102 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 102 A C 2.399 179.934 177.584 -0.083 0.000 1.175 102 A CA 1.959 53.988 52.037 -0.013 0.000 0.627 102 A CB -0.490 18.511 19.000 0.001 0.000 0.815 102 A HN 0.575 nan 8.150 nan 0.000 0.443 103 R N -2.356 118.062 120.500 -0.137 0.000 2.128 103 R HA 0.154 4.494 4.340 -0.000 0.000 0.211 103 R C 0.942 176.902 176.300 -0.566 0.000 1.067 103 R CA 0.907 56.770 56.100 -0.394 0.000 1.010 103 R CB -0.034 29.918 30.300 -0.581 0.000 0.922 103 R HN 0.468 nan 8.270 nan 0.000 0.457 104 F N -1.081 118.796 119.950 -0.122 0.000 2.706 104 F HA 0.388 4.915 4.527 -0.000 0.000 0.308 104 F C 1.349 176.970 175.800 -0.298 0.000 1.095 104 F CA 0.372 58.204 58.000 -0.279 0.000 1.244 104 F CB 1.482 40.117 39.000 -0.608 0.000 1.063 104 F HN 0.280 nan 8.300 nan 0.000 0.582 105 G N 1.100 109.873 108.800 -0.046 0.000 2.176 105 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.253 105 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.253 105 G C -0.017 174.851 174.900 -0.054 0.000 0.979 105 G CA 0.311 45.381 45.100 -0.051 0.000 0.641 105 G HN 0.507 nan 8.290 nan 0.000 0.530 106 Q N -1.739 118.013 119.800 -0.081 0.000 2.527 106 Q HA 0.640 4.979 4.340 -0.000 0.000 0.280 106 Q C -0.532 175.483 176.000 0.025 0.000 0.977 106 Q CA -0.642 55.137 55.803 -0.039 0.000 0.837 106 Q CB 1.565 30.265 28.738 -0.064 0.000 1.454 106 Q HN 1.589 nan 8.270 nan 0.000 0.387 107 G N 0.961 109.821 108.800 0.100 0.000 2.733 107 G HA2 0.530 4.490 3.960 -0.000 0.000 0.297 107 G HA3 0.530 4.490 3.960 -0.000 0.000 0.297 107 G C -2.020 172.975 174.900 0.158 0.000 1.452 107 G CA -0.590 44.611 45.100 0.168 0.000 0.940 107 G HN 0.402 nan 8.290 nan 0.000 0.547 108 Q N -0.262 119.653 119.800 0.191 0.000 2.292 108 Q HA 0.686 5.026 4.340 -0.000 0.000 0.270 108 Q C -0.741 175.413 176.000 0.257 0.000 1.024 108 Q CA -0.704 55.233 55.803 0.223 0.000 0.768 108 Q CB 3.149 32.018 28.738 0.219 0.000 1.250 108 Q HN 0.513 nan 8.270 nan 0.000 0.447 109 V N 1.255 121.283 119.914 0.190 0.000 2.733 109 V HA 0.496 4.616 4.120 -0.000 0.000 0.306 109 V C -0.324 175.690 176.094 -0.134 0.000 1.084 109 V CA -0.868 61.460 62.300 0.046 0.000 0.905 109 V CB 2.354 34.170 31.823 -0.012 0.000 1.010 109 V HN 0.816 nan 8.190 nan 0.000 0.424 110 S N 3.559 119.011 115.700 -0.413 0.000 2.589 110 S HA 0.483 4.953 4.470 -0.000 0.000 0.265 110 S C 0.090 174.533 174.600 -0.262 0.000 1.342 110 S CA -0.458 57.433 58.200 -0.515 0.000 1.005 110 S CB 0.408 63.301 63.200 -0.512 0.000 0.909 110 S HN 0.514 nan 8.310 nan 0.000 0.555 111 L N 3.800 124.910 121.223 -0.188 0.000 2.490 111 L HA 0.168 4.508 4.340 -0.000 0.000 0.274 111 L C -1.490 175.265 176.870 -0.192 0.000 1.201 111 L CA -1.243 53.504 54.840 -0.156 0.000 0.869 111 L CB -0.154 41.848 42.059 -0.095 0.000 1.123 111 L HN 0.455 nan 8.230 nan 0.000 0.484 112 P HA 0.194 nan 4.420 nan 0.000 0.277 112 P C -0.275 176.908 177.300 -0.194 0.000 1.276 112 P CA -0.265 62.691 63.100 -0.241 0.000 0.788 112 P CB 1.209 32.729 31.700 -0.300 0.000 1.114 113 G N -2.332 106.354 108.800 -0.190 0.000 3.356 113 G HA2 0.641 4.601 3.960 -0.000 0.000 0.178 113 G HA3 0.641 4.601 3.960 -0.000 0.000 0.178 113 G C 0.025 174.851 174.900 -0.124 0.000 1.130 113 G CA -0.211 44.806 45.100 -0.139 0.000 0.800 113 G HN 0.853 nan 8.290 nan 0.000 0.669 117 I N -1.759 118.693 120.570 -0.196 0.000 3.936 117 I HA 0.750 4.920 4.170 -0.000 0.000 0.330 117 I C 0.562 176.625 176.117 -0.090 0.000 1.509 117 I CA -0.734 60.444 61.300 -0.204 0.000 1.126 117 I CB 0.374 38.134 38.000 -0.400 0.000 1.115 117 I HN 0.714 nan 8.210 nan 0.000 0.424 118 G N 0.394 109.180 108.800 -0.025 0.000 2.313 118 G HA2 0.411 4.371 3.960 -0.000 0.000 0.296 118 G HA3 0.411 4.371 3.960 -0.000 0.000 0.296 118 G C 0.061 174.992 174.900 0.052 0.000 1.356 118 G CA -0.199 44.949 45.100 0.079 0.000 0.833 118 G HN 0.007 nan 8.290 nan 0.000 0.552 119 A N -0.526 122.330 122.820 0.060 0.000 2.015 119 A HA 0.277 4.597 4.320 -0.000 0.000 0.219 119 A C 1.487 179.093 177.584 0.037 0.000 1.163 119 A CA 1.646 53.703 52.037 0.034 0.000 0.646 119 A CB -0.553 18.463 19.000 0.027 0.000 0.806 119 A HN 1.321 nan 8.150 nan 0.000 0.448 120 R N -0.926 119.624 120.500 0.083 0.000 3.092 120 R HA -0.127 4.213 4.340 -0.000 0.000 0.245 120 R C -2.292 174.024 176.300 0.026 0.000 0.881 120 R CA 0.427 56.581 56.100 0.090 0.000 0.614 120 R CB -1.911 28.435 30.300 0.077 0.000 1.128 120 R HN 0.525 nan 8.270 nan 0.000 0.483 121 P HA 0.081 nan 4.420 nan 0.000 0.275 121 P C 0.593 177.901 177.300 0.013 0.000 1.266 121 P CA -0.175 62.931 63.100 0.008 0.000 0.793 121 P CB 0.710 32.421 31.700 0.018 0.000 1.074 122 V N -3.452 116.463 119.914 0.001 0.000 2.991 122 V HA 0.112 4.232 4.120 -0.000 0.000 0.355 122 V C 1.292 177.456 176.094 0.115 0.000 1.384 122 V CA 0.056 62.373 62.300 0.029 0.000 1.171 122 V CB -0.518 31.182 31.823 -0.206 0.000 1.190 122 V HN 0.499 nan 8.190 nan 0.000 0.540 123 D N 1.363 121.812 120.400 0.081 0.000 2.182 123 D HA -0.241 4.399 4.640 -0.000 0.000 0.201 123 D C 1.719 178.068 176.300 0.082 0.000 0.986 123 D CA 1.516 55.556 54.000 0.066 0.000 0.847 123 D CB 0.008 40.831 40.800 0.039 0.000 0.942 123 D HN 0.551 nan 8.370 nan 0.000 0.467 124 L N -0.056 121.224 121.223 0.094 0.000 2.217 124 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 124 L C 2.745 179.634 176.870 0.032 0.000 1.107 124 L CA 0.773 55.635 54.840 0.037 0.000 0.783 124 L CB -0.573 41.476 42.059 -0.015 0.000 0.919 124 L HN 0.108 nan 8.230 nan 0.000 0.442 125 H N -0.144 118.940 119.070 0.023 0.000 2.357 125 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 125 H C 2.436 177.784 175.328 0.033 0.000 1.082 125 H CA 1.508 57.578 56.048 0.037 0.000 1.342 125 H CB 0.213 29.989 29.762 0.024 0.000 1.389 125 H HN 0.326 nan 8.280 nan 0.000 0.511 126 I N 0.209 120.879 120.570 0.166 0.000 2.179 126 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 126 I C 2.864 179.022 176.117 0.068 0.000 1.088 126 I CA 0.984 62.341 61.300 0.095 0.000 1.357 126 I CB -0.221 37.819 38.000 0.068 0.000 1.051 126 I HN 0.132 nan 8.210 nan 0.000 0.409 127 S N 0.715 116.449 115.700 0.057 0.000 2.368 127 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 127 S C 2.111 176.731 174.600 0.033 0.000 1.030 127 S CA 1.684 59.906 58.200 0.036 0.000 0.999 127 S CB -0.653 62.562 63.200 0.026 0.000 0.844 127 S HN 0.559 nan 8.310 nan 0.000 0.459 128 G N 1.398 110.218 108.800 0.033 0.000 2.418 128 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.217 128 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.217 128 G C 1.433 176.356 174.900 0.038 0.000 1.158 128 G CA 0.837 45.953 45.100 0.027 0.000 0.771 128 G HN 0.519 nan 8.290 nan 0.000 0.545 129 L N -0.012 121.244 121.223 0.054 0.000 2.093 129 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 129 L C 2.854 179.749 176.870 0.042 0.000 1.085 129 L CA 1.074 55.947 54.840 0.055 0.000 0.755 129 L CB -0.395 41.708 42.059 0.072 0.000 0.904 129 L HN 0.284 nan 8.230 nan 0.000 0.435 130 E N -0.129 120.095 120.200 0.040 0.000 2.110 130 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 130 E C 2.199 178.814 176.600 0.026 0.000 0.988 130 E CA 1.059 57.477 56.400 0.031 0.000 0.804 130 E CB -0.039 29.678 29.700 0.030 0.000 0.745 130 E HN 0.545 nan 8.360 nan 0.000 0.458 131 Q N 0.034 119.850 119.800 0.026 0.000 2.291 131 Q HA -0.063 4.277 4.340 -0.000 0.000 0.205 131 Q C 1.838 177.852 176.000 0.023 0.000 0.970 131 Q CA 0.633 56.450 55.803 0.023 0.000 0.876 131 Q CB 0.112 28.865 28.738 0.024 0.000 0.935 131 Q HN 0.316 nan 8.270 nan 0.000 0.455 132 L N -1.077 120.160 121.223 0.024 0.000 2.591 132 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 132 L C 1.070 177.949 176.870 0.016 0.000 1.133 132 L CA 0.475 55.327 54.840 0.019 0.000 0.880 132 L CB 0.206 42.278 42.059 0.021 0.000 1.033 132 L HN 0.415 nan 8.230 nan 0.000 0.450 133 G N -0.435 108.375 108.800 0.018 0.000 2.184 133 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.206 133 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.206 133 G C 0.334 175.244 174.900 0.017 0.000 0.995 133 G CA -0.156 44.952 45.100 0.014 0.000 0.651 133 G HN 0.411 nan 8.290 nan 0.000 0.511 134 A N 0.328 123.161 122.820 0.023 0.000 2.371 134 A HA 0.714 5.034 4.320 -0.000 0.000 0.257 134 A C 0.528 178.128 177.584 0.027 0.000 1.089 134 A CA 0.925 52.978 52.037 0.026 0.000 0.794 134 A CB 0.539 19.560 19.000 0.036 0.000 1.029 134 A HN 0.645 nan 8.150 nan 0.000 0.488 135 T N 2.638 117.207 114.554 0.026 0.000 2.767 135 T HA 0.561 4.911 4.350 -0.000 0.000 0.288 135 T C -0.265 174.454 174.700 0.032 0.000 0.963 135 T CA 0.235 62.351 62.100 0.026 0.000 1.019 135 T CB 0.093 68.974 68.868 0.021 0.000 0.923 135 T HN 0.421 nan 8.240 nan 0.000 0.468 136 I N 3.838 124.428 120.570 0.034 0.000 2.545 136 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 136 I C -0.302 175.838 176.117 0.038 0.000 1.040 136 I CA -1.041 60.283 61.300 0.041 0.000 1.068 136 I CB 2.152 40.179 38.000 0.045 0.000 1.251 136 I HN 0.544 nan 8.210 nan 0.000 0.424 137 K N 5.586 126.012 120.400 0.043 0.000 2.422 137 K HA 0.689 5.009 4.320 -0.000 0.000 0.251 137 K C -1.843 174.788 176.600 0.052 0.000 0.933 137 K CA -0.890 55.422 56.287 0.041 0.000 0.798 137 K CB 2.790 35.312 32.500 0.036 0.000 1.238 137 K HN 0.364 nan 8.250 nan 0.000 0.428 138 L N 2.457 123.709 121.223 0.048 0.000 2.282 138 L HA 0.413 4.753 4.340 -0.000 0.000 0.288 138 L C -1.309 175.598 176.870 0.061 0.000 1.033 138 L CA 0.328 55.203 54.840 0.058 0.000 0.807 138 L CB 0.914 42.999 42.059 0.042 0.000 1.209 138 L HN 0.914 nan 8.230 nan 0.000 0.423 139 E N 3.280 123.533 120.200 0.088 0.000 2.307 139 E HA 0.365 4.715 4.350 -0.000 0.000 0.280 139 E C -0.896 175.771 176.600 0.113 0.000 0.900 139 E CA -0.633 55.811 56.400 0.074 0.000 0.790 139 E CB 0.968 30.696 29.700 0.047 0.000 1.261 139 E HN 0.619 nan 8.360 nan 0.000 0.405 140 E N 1.978 122.231 120.200 0.088 0.000 2.389 140 E HA -0.310 4.040 4.350 -0.000 0.000 0.243 140 E C 0.747 177.462 176.600 0.192 0.000 1.154 140 E CA 0.789 57.252 56.400 0.105 0.000 0.723 140 E CB -1.594 28.151 29.700 0.076 0.000 1.261 140 E HN 1.239 nan 8.360 nan 0.000 0.390 141 G N -1.149 107.731 108.800 0.133 0.000 2.212 141 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.266 141 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.266 141 G C -0.154 174.773 174.900 0.046 0.000 0.978 141 G CA 0.678 45.828 45.100 0.083 0.000 0.632 141 G HN 0.327 nan 8.290 nan 0.000 0.537 142 Y N 0.019 120.338 120.300 0.031 0.000 2.320 142 Y HA 0.544 5.094 4.550 -0.000 0.000 0.334 142 Y C 0.675 176.590 175.900 0.025 0.000 1.055 142 Y CA -0.866 57.256 58.100 0.037 0.000 1.143 142 Y CB 1.927 40.410 38.460 0.039 0.000 1.193 142 Y HN 0.055 nan 8.280 nan 0.000 0.477 143 V N 5.294 125.281 119.914 0.123 0.000 2.385 143 V HA 0.242 4.362 4.120 -0.000 0.000 0.269 143 V C -0.293 175.875 176.094 0.122 0.000 1.043 143 V CA -0.945 61.407 62.300 0.086 0.000 0.906 143 V CB 0.343 32.182 31.823 0.027 0.000 0.995 143 V HN 0.609 nan 8.190 nan 0.000 0.467 144 K N 4.331 124.797 120.400 0.110 0.000 2.339 144 K HA 0.779 5.099 4.320 -0.000 0.000 0.264 144 K C -0.377 176.268 176.600 0.075 0.000 0.986 144 K CA -0.283 56.066 56.287 0.102 0.000 0.866 144 K CB 2.176 34.728 32.500 0.086 0.000 1.103 144 K HN 0.734 nan 8.250 nan 0.000 0.441 145 A N 1.861 124.727 122.820 0.077 0.000 2.355 145 A HA 0.758 5.078 4.320 -0.000 0.000 0.324 145 A C -0.573 177.042 177.584 0.050 0.000 1.117 145 A CA -0.613 51.461 52.037 0.062 0.000 0.785 145 A CB 1.248 20.289 19.000 0.068 0.000 1.254 145 A HN 0.710 nan 8.150 nan 0.000 0.453 146 S N -0.270 115.452 115.700 0.036 0.000 2.570 146 S HA 0.783 5.253 4.470 -0.000 0.000 0.270 146 S C -1.331 173.278 174.600 0.016 0.000 1.149 146 S CA -0.490 57.723 58.200 0.022 0.000 0.837 146 S CB 1.317 64.528 63.200 0.018 0.000 1.124 146 S HN 2.120 nan 8.310 nan 0.000 0.465 147 V N 0.796 120.713 119.914 0.005 0.000 2.969 147 V HA 0.581 4.701 4.120 -0.000 0.000 0.304 147 V C -2.081 174.010 176.094 -0.005 0.000 1.192 147 V CA -0.519 61.782 62.300 0.002 0.000 0.962 147 V CB 2.154 33.979 31.823 0.002 0.000 1.045 147 V HN 1.133 nan 8.190 nan 0.000 0.428 148 D N 4.332 124.730 120.400 -0.003 0.000 2.347 148 D HA 0.669 5.309 4.640 -0.000 0.000 0.235 148 D C 0.432 176.727 176.300 -0.008 0.000 1.149 148 D CA 1.918 55.915 54.000 -0.005 0.000 0.850 148 D CB 0.959 41.759 40.800 -0.001 0.000 1.061 148 D HN 1.405 nan 8.370 nan 0.000 0.487 149 G N 3.423 112.214 108.800 -0.014 0.000 2.615 149 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 149 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 149 G C -0.296 174.590 174.900 -0.023 0.000 1.339 149 G CA -0.762 44.327 45.100 -0.018 0.000 0.884 149 G HN 0.654 nan 8.290 nan 0.000 0.559 150 R N -0.725 119.760 120.500 -0.025 0.000 2.615 150 R HA 0.560 4.900 4.340 -0.000 0.000 0.270 150 R C 1.005 177.294 176.300 -0.018 0.000 1.081 150 R CA -0.579 55.505 56.100 -0.028 0.000 1.154 150 R CB 0.361 30.643 30.300 -0.031 0.000 1.063 150 R HN 0.469 nan 8.270 nan 0.000 0.519 151 L N 1.712 122.925 121.223 -0.017 0.000 2.476 151 L HA 0.137 4.477 4.340 -0.000 0.000 0.264 151 L C 0.341 177.206 176.870 -0.008 0.000 1.224 151 L CA 0.443 55.279 54.840 -0.007 0.000 0.821 151 L CB 0.276 42.334 42.059 -0.002 0.000 1.101 151 L HN 0.400 nan 8.230 nan 0.000 0.488 152 K N 0.416 120.815 120.400 -0.002 0.000 2.345 152 K HA 0.375 4.695 4.320 -0.000 0.000 0.255 152 K C -0.198 176.402 176.600 -0.000 0.000 0.934 152 K CA -0.680 55.605 56.287 -0.003 0.000 0.801 152 K CB 1.860 34.360 32.500 -0.000 0.000 1.137 152 K HN 0.720 nan 8.250 nan 0.000 0.424 153 G N 1.096 109.893 108.800 -0.006 0.000 2.484 153 G HA2 0.380 4.340 3.960 -0.000 0.000 0.235 153 G HA3 0.380 4.340 3.960 -0.000 0.000 0.235 153 G C -0.618 174.285 174.900 0.005 0.000 1.282 153 G CA -0.107 44.990 45.100 -0.006 0.000 0.857 153 G HN 0.616 nan 8.290 nan 0.000 0.571 154 A N 1.265 124.094 122.820 0.014 0.000 2.606 154 A HA 0.642 4.962 4.320 -0.000 0.000 0.293 154 A C -0.950 176.680 177.584 0.078 0.000 1.082 154 A CA -0.731 51.332 52.037 0.042 0.000 0.685 154 A CB 1.057 20.082 19.000 0.042 0.000 1.284 154 A HN 0.941 nan 8.150 nan 0.000 0.408 155 H N 0.872 119.939 119.070 -0.005 0.000 2.761 155 H HA 0.582 5.138 4.556 -0.000 0.000 0.284 155 H C -0.952 174.373 175.328 -0.005 0.000 1.105 155 H CA -0.325 55.720 56.048 -0.005 0.000 1.352 155 H CB 0.183 29.942 29.762 -0.005 0.000 1.423 155 H HN 0.461 nan 8.280 nan 0.000 0.464 156 I N 6.421 127.117 120.570 0.210 0.000 2.355 156 I HA 0.113 4.283 4.170 -0.000 0.000 0.288 156 I C -0.545 175.611 176.117 0.066 0.000 0.999 156 I CA -0.808 60.545 61.300 0.088 0.000 1.163 156 I CB 1.697 39.731 38.000 0.057 0.000 1.316 156 I HN 0.348 nan 8.210 nan 0.000 0.454 157 V N 7.417 127.328 119.914 -0.004 0.000 2.304 157 V HA 0.294 4.414 4.120 -0.000 0.000 0.269 157 V C 0.514 176.599 176.094 -0.014 0.000 1.036 157 V CA -0.497 61.790 62.300 -0.022 0.000 0.840 157 V CB 0.798 32.574 31.823 -0.079 0.000 1.036 157 V HN 0.690 nan 8.190 nan 0.000 0.466 158 M N 4.181 123.778 119.600 -0.004 0.000 2.269 158 M HA 0.096 4.576 4.480 -0.000 0.000 0.350 158 M C 0.857 177.148 176.300 -0.015 0.000 1.429 158 M CA -0.079 55.215 55.300 -0.010 0.000 1.063 158 M CB 0.337 32.930 32.600 -0.012 0.000 1.841 158 M HN 0.747 nan 8.290 nan 0.000 0.455 159 D N 1.415 121.805 120.400 -0.016 0.000 2.328 159 D HA 0.065 4.705 4.640 -0.000 0.000 0.226 159 D C 0.049 176.338 176.300 -0.019 0.000 1.066 159 D CA 0.282 54.272 54.000 -0.017 0.000 0.861 159 D CB 0.251 41.041 40.800 -0.016 0.000 0.912 159 D HN 0.471 nan 8.370 nan 0.000 0.521 160 K N -0.000 120.387 120.400 -0.021 0.000 2.557 160 K HA 0.360 4.680 4.320 -0.000 0.000 0.261 160 K C -1.620 174.963 176.600 -0.029 0.000 0.932 160 K CA -0.864 55.407 56.287 -0.028 0.000 0.829 160 K CB 2.350 34.831 32.500 -0.031 0.000 1.358 160 K HN -0.162 nan 8.250 nan 0.000 0.430 161 V N 2.548 122.444 119.914 -0.031 0.000 2.508 161 V HA 0.269 4.389 4.120 -0.000 0.000 0.281 161 V C -0.147 175.927 176.094 -0.033 0.000 1.041 161 V CA 0.085 62.370 62.300 -0.024 0.000 1.016 161 V CB 1.076 32.889 31.823 -0.017 0.000 0.984 161 V HN 0.707 nan 8.190 nan 0.000 0.478 162 S N 3.908 119.594 115.700 -0.023 0.000 2.677 162 S HA 0.381 4.851 4.470 -0.000 0.000 0.283 162 S C 0.448 175.060 174.600 0.020 0.000 1.159 162 S CA -0.593 57.598 58.200 -0.015 0.000 1.001 162 S CB 1.843 65.021 63.200 -0.037 0.000 1.032 162 S HN 0.325 nan 8.310 nan 0.000 0.487 163 V N 5.335 125.288 119.914 0.065 0.000 2.233 163 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 163 V C 2.694 178.914 176.094 0.211 0.000 1.050 163 V CA 2.720 65.093 62.300 0.123 0.000 1.010 163 V CB -1.204 30.716 31.823 0.161 0.000 0.637 163 V HN 0.966 nan 8.190 nan 0.000 0.444 164 G N -0.769 108.205 108.800 0.289 0.000 2.418 164 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 164 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 164 G C 1.728 176.749 174.900 0.202 0.000 1.158 164 G CA 1.069 46.478 45.100 0.514 0.000 0.771 164 G HN 0.635 nan 8.290 nan 0.000 0.545 165 A N 0.071 122.697 122.820 -0.324 0.000 1.969 165 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 165 A C 2.504 179.985 177.584 -0.171 0.000 1.169 165 A CA 2.263 53.931 52.037 -0.616 0.000 0.635 165 A CB -0.782 17.915 19.000 -0.505 0.000 0.810 165 A HN 0.281 nan 8.150 nan 0.000 0.445 166 T N -0.212 114.307 114.554 -0.059 0.000 2.720 166 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 166 T C 1.885 176.578 174.700 -0.012 0.000 1.037 166 T CA 1.669 63.756 62.100 -0.022 0.000 1.144 166 T CB -0.414 68.451 68.868 -0.004 0.000 0.864 166 T HN 0.160 nan 8.240 nan 0.000 0.444 167 V N 1.334 121.258 119.914 0.017 0.000 2.295 167 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 167 V C 2.798 178.877 176.094 -0.025 0.000 1.049 167 V CA 2.059 64.311 62.300 -0.080 0.000 1.024 167 V CB -1.128 30.515 31.823 -0.301 0.000 0.648 167 V HN 0.515 nan 8.190 nan 0.000 0.447 168 T N 0.253 114.898 114.554 0.150 0.000 2.684 168 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 168 T C 1.784 176.537 174.700 0.089 0.000 1.036 168 T CA 1.993 64.218 62.100 0.209 0.000 1.148 168 T CB -0.294 68.775 68.868 0.335 0.000 0.863 168 T HN 0.356 nan 8.240 nan 0.000 0.436 169 I N 0.623 121.215 120.570 0.035 0.000 2.202 169 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 169 I C 2.571 178.692 176.117 0.007 0.000 1.091 169 I CA 1.223 62.534 61.300 0.020 0.000 1.368 169 I CB -0.381 37.620 38.000 0.001 0.000 1.058 169 I HN 0.259 nan 8.210 nan 0.000 0.410 170 M N 0.204 119.799 119.600 -0.009 0.000 2.080 170 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 170 M C 2.502 178.788 176.300 -0.023 0.000 1.068 170 M CA 2.036 57.322 55.300 -0.023 0.000 1.109 170 M CB -0.207 32.369 32.600 -0.039 0.000 1.342 170 M HN 0.355 nan 8.290 nan 0.000 0.405 171 C N 0.475 119.763 119.300 -0.020 0.000 2.446 171 C HA -0.032 4.428 4.460 -0.000 0.000 0.277 171 C C 3.012 178.008 174.990 0.009 0.000 1.275 171 C CA 1.007 60.020 59.018 -0.008 0.000 1.727 171 C CB -1.540 26.200 27.740 0.000 0.000 2.010 171 C HN 0.749 nan 8.230 nan 0.000 0.486 172 A N 0.478 123.315 122.820 0.028 0.000 1.969 172 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 172 A C 2.313 179.900 177.584 0.005 0.000 1.169 172 A CA 1.837 53.891 52.037 0.028 0.000 0.635 172 A CB -0.755 18.273 19.000 0.047 0.000 0.810 172 A HN 0.578 nan 8.150 nan 0.000 0.445 173 A N -0.060 122.759 122.820 -0.001 0.000 2.067 173 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 173 A C 2.297 179.866 177.584 -0.024 0.000 1.158 173 A CA 2.154 54.183 52.037 -0.012 0.000 0.661 173 A CB -1.308 17.684 19.000 -0.013 0.000 0.801 173 A HN 0.782 nan 8.150 nan 0.000 0.452 174 T N -2.188 112.348 114.554 -0.029 0.000 2.929 174 T HA 0.001 4.351 4.350 -0.000 0.000 0.271 174 T C 1.301 175.973 174.700 -0.046 0.000 1.085 174 T CA 1.399 63.473 62.100 -0.043 0.000 1.125 174 T CB -0.315 68.521 68.868 -0.053 0.000 0.874 174 T HN 0.338 nan 8.240 nan 0.000 0.494 175 L N 0.255 121.453 121.223 -0.042 0.000 2.808 175 L HA 0.538 4.878 4.340 -0.000 0.000 0.246 175 L C 1.378 178.223 176.870 -0.042 0.000 1.153 175 L CA -0.520 54.290 54.840 -0.050 0.000 0.956 175 L CB -0.192 41.828 42.059 -0.064 0.000 1.270 175 L HN 0.284 nan 8.230 nan 0.000 0.528 176 A N 0.527 123.329 122.820 -0.031 0.000 2.313 176 A HA 0.193 4.513 4.320 -0.000 0.000 0.261 176 A C 0.156 177.724 177.584 -0.026 0.000 1.090 176 A CA -0.205 51.818 52.037 -0.025 0.000 0.807 176 A CB 0.349 19.339 19.000 -0.016 0.000 1.055 176 A HN 0.269 nan 8.150 nan 0.000 0.492 177 E N 0.104 120.291 120.200 -0.022 0.000 2.152 177 E HA 0.462 4.812 4.350 -0.000 0.000 0.285 177 E C 0.535 177.123 176.600 -0.019 0.000 1.043 177 E CA 0.680 57.067 56.400 -0.021 0.000 0.839 177 E CB 0.102 29.791 29.700 -0.018 0.000 1.069 177 E HN 1.477 nan 8.360 nan 0.000 0.399 178 G N 2.945 111.731 108.800 -0.022 0.000 2.526 178 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.250 178 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.250 178 G C -0.579 174.304 174.900 -0.028 0.000 1.289 178 G CA -0.449 44.638 45.100 -0.023 0.000 0.947 178 G HN 0.542 nan 8.290 nan 0.000 0.517 179 T N 1.056 115.591 114.554 -0.032 0.000 2.829 179 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 179 T C 0.048 174.720 174.700 -0.047 0.000 0.990 179 T CA 0.201 62.275 62.100 -0.044 0.000 1.028 179 T CB 1.586 70.420 68.868 -0.056 0.000 0.951 179 T HN 0.742 nan 8.240 nan 0.000 0.460 180 T N 3.394 117.920 114.554 -0.047 0.000 2.829 180 T HA 0.616 4.966 4.350 -0.000 0.000 0.280 180 T C -0.273 174.388 174.700 -0.065 0.000 0.999 180 T CA -0.504 61.572 62.100 -0.040 0.000 0.983 180 T CB 0.582 69.439 68.868 -0.019 0.000 0.968 180 T HN 0.421 nan 8.240 nan 0.000 0.446 181 I N 3.740 124.260 120.570 -0.083 0.000 2.410 181 I HA 0.434 4.604 4.170 -0.000 0.000 0.286 181 I C -0.544 175.586 176.117 0.022 0.000 1.009 181 I CA -0.707 60.527 61.300 -0.110 0.000 1.111 181 I CB 1.565 39.334 38.000 -0.384 0.000 1.262 181 I HN 0.460 nan 8.210 nan 0.000 0.443 182 I N 6.264 126.848 120.570 0.023 0.000 2.304 182 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 182 I C 0.115 176.267 176.117 0.059 0.000 1.018 182 I CA -0.501 60.827 61.300 0.047 0.000 1.260 182 I CB 0.764 38.773 38.000 0.016 0.000 1.390 182 I HN 0.475 nan 8.210 nan 0.000 0.475 183 E N 5.909 126.159 120.200 0.084 0.000 2.222 183 E HA 0.285 4.635 4.350 -0.000 0.000 0.272 183 E C -0.108 176.510 176.600 0.030 0.000 0.982 183 E CA -0.553 55.887 56.400 0.066 0.000 0.842 183 E CB 1.089 30.835 29.700 0.078 0.000 1.144 183 E HN 0.481 nan 8.360 nan 0.000 0.397 184 N N -0.578 118.135 118.700 0.021 0.000 2.747 184 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 184 N C -0.511 175.004 175.510 0.008 0.000 1.107 184 N CA 0.983 54.038 53.050 0.010 0.000 0.707 184 N CB -1.507 36.980 38.487 0.001 0.000 1.054 184 N HN 0.608 nan 8.380 nan 0.000 0.555 185 A N -0.154 122.674 122.820 0.013 0.000 2.445 185 A HA 0.612 4.932 4.320 -0.000 0.000 0.242 185 A C 0.990 178.583 177.584 0.015 0.000 1.075 185 A CA 0.361 52.404 52.037 0.010 0.000 0.777 185 A CB 0.415 19.421 19.000 0.010 0.000 1.013 185 A HN 0.549 nan 8.150 nan 0.000 0.493 186 A N 1.666 124.496 122.820 0.015 0.000 2.462 186 A HA 0.440 4.760 4.320 -0.000 0.000 0.243 186 A C 0.943 178.549 177.584 0.036 0.000 1.076 186 A CA -0.221 51.833 52.037 0.029 0.000 0.773 186 A CB 0.053 19.073 19.000 0.032 0.000 1.010 186 A HN 0.848 nan 8.150 nan 0.000 0.493 187 R N 0.578 121.118 120.500 0.067 0.000 2.397 187 R HA 0.104 4.444 4.340 -0.000 0.000 0.241 187 R C -0.487 175.862 176.300 0.082 0.000 0.914 187 R CA -0.227 55.928 56.100 0.092 0.000 1.071 187 R CB 0.201 30.581 30.300 0.133 0.000 1.116 187 R HN 0.765 nan 8.270 nan 0.000 0.524 188 E N 1.481 121.687 120.200 0.009 0.000 2.508 188 E HA -0.075 4.275 4.350 -0.000 0.000 0.266 188 E C -1.671 174.786 176.600 -0.239 0.000 1.010 188 E CA -0.959 55.324 56.400 -0.196 0.000 0.955 188 E CB 0.434 30.078 29.700 -0.093 0.000 0.946 188 E HN -0.100 nan 8.360 nan 0.000 0.454 189 P HA -0.155 nan 4.420 nan 0.000 0.218 189 P C 0.235 177.469 177.300 -0.110 0.000 1.148 189 P CA 1.178 64.148 63.100 -0.215 0.000 0.822 189 P CB 0.289 31.849 31.700 -0.233 0.000 0.784 190 E N -1.085 119.051 120.200 -0.107 0.000 2.274 190 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 190 E C 1.866 178.418 176.600 -0.079 0.000 0.996 190 E CA 0.702 57.061 56.400 -0.070 0.000 0.840 190 E CB -0.694 28.977 29.700 -0.049 0.000 0.772 190 E HN 0.233 nan 8.360 nan 0.000 0.491 191 I N 0.030 120.556 120.570 -0.073 0.000 2.286 191 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 191 I C 2.046 178.130 176.117 -0.054 0.000 1.104 191 I CA 0.753 62.011 61.300 -0.070 0.000 1.397 191 I CB -0.883 37.092 38.000 -0.042 0.000 1.072 191 I HN 0.017 nan 8.210 nan 0.000 0.417 192 V N 1.202 121.093 119.914 -0.038 0.000 2.343 192 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 192 V C 2.296 178.393 176.094 0.005 0.000 1.051 192 V CA 2.135 64.428 62.300 -0.012 0.000 1.036 192 V CB -0.668 31.155 31.823 -0.001 0.000 0.654 192 V HN 0.301 nan 8.190 nan 0.000 0.451 193 D N -0.217 120.190 120.400 0.011 0.000 2.117 193 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 193 D C 2.267 178.538 176.300 -0.048 0.000 0.987 193 D CA 1.740 55.780 54.000 0.066 0.000 0.829 193 D CB -0.116 40.732 40.800 0.081 0.000 0.961 193 D HN 0.399 nan 8.370 nan 0.000 0.460 194 T N -0.379 114.122 114.554 -0.088 0.000 2.777 194 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 194 T C 1.927 176.585 174.700 -0.071 0.000 1.040 194 T CA 1.321 63.354 62.100 -0.112 0.000 1.141 194 T CB -0.398 68.369 68.868 -0.169 0.000 0.868 194 T HN 0.207 nan 8.240 nan 0.000 0.444 195 A N 2.510 125.289 122.820 -0.069 0.000 1.902 195 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 195 A C 2.238 179.774 177.584 -0.080 0.000 1.181 195 A CA 1.519 53.519 52.037 -0.063 0.000 0.623 195 A CB -0.602 18.373 19.000 -0.042 0.000 0.818 195 A HN 0.377 nan 8.150 nan 0.000 0.443 196 N N -1.091 117.569 118.700 -0.066 0.000 2.244 196 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 196 N C 1.362 176.728 175.510 -0.241 0.000 1.016 196 N CA 1.325 54.351 53.050 -0.040 0.000 0.866 196 N CB -0.570 38.009 38.487 0.153 0.000 0.980 196 N HN 0.563 nan 8.380 nan 0.000 0.430 197 F N 1.727 121.222 119.950 -0.758 0.000 2.113 197 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 197 F C 1.976 177.552 175.800 -0.373 0.000 1.103 197 F CA 1.014 58.451 58.000 -0.938 0.000 1.248 197 F CB -0.469 38.008 39.000 -0.871 0.000 0.999 197 F HN -0.093 nan 8.300 nan 0.000 0.475 198 L N 0.015 121.011 121.223 -0.378 0.000 2.083 198 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 198 L C 2.516 179.206 176.870 -0.299 0.000 1.083 198 L CA 1.415 56.033 54.840 -0.370 0.000 0.752 198 L CB -0.693 41.270 42.059 -0.160 0.000 0.899 198 L HN 0.194 nan 8.230 nan 0.000 0.433 199 I N -0.687 119.760 120.570 -0.205 0.000 2.286 199 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 199 I C 2.426 178.459 176.117 -0.139 0.000 1.115 199 I CA 1.321 62.542 61.300 -0.132 0.000 1.392 199 I CB -0.419 37.539 38.000 -0.070 0.000 1.065 199 I HN 0.242 nan 8.210 nan 0.000 0.418 200 T N 1.304 115.754 114.554 -0.175 0.000 2.833 200 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 200 T C 1.745 176.334 174.700 -0.185 0.000 1.054 200 T CA 1.154 63.180 62.100 -0.124 0.000 1.135 200 T CB -0.218 68.618 68.868 -0.054 0.000 0.869 200 T HN 0.299 nan 8.240 nan 0.000 0.466 201 L N 0.040 121.071 121.223 -0.319 0.000 2.552 201 L HA 0.256 4.596 4.340 -0.000 0.000 0.227 201 L C 1.987 178.756 176.870 -0.169 0.000 1.146 201 L CA 0.568 55.245 54.840 -0.273 0.000 0.858 201 L CB -0.327 41.500 42.059 -0.388 0.000 0.969 201 L HN 0.508 nan 8.230 nan 0.000 0.451 202 G N -0.543 108.170 108.800 -0.144 0.000 2.192 202 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.193 202 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.193 202 G C 0.320 175.163 174.900 -0.094 0.000 0.999 202 G CA -0.194 44.846 45.100 -0.099 0.000 0.659 202 G HN 0.422 nan 8.290 nan 0.000 0.503 203 A N 0.081 122.832 122.820 -0.115 0.000 2.332 203 A HA 0.698 5.018 4.320 -0.000 0.000 0.258 203 A C 0.391 177.930 177.584 -0.074 0.000 1.087 203 A CA 0.252 52.233 52.037 -0.094 0.000 0.802 203 A CB 0.420 19.356 19.000 -0.107 0.000 1.042 203 A HN 0.343 nan 8.150 nan 0.000 0.489 204 K N 1.111 121.475 120.400 -0.060 0.000 2.464 204 K HA 0.587 4.907 4.320 -0.000 0.000 0.252 204 K C -1.477 175.096 176.600 -0.046 0.000 1.000 204 K CA 0.309 56.566 56.287 -0.049 0.000 0.951 204 K CB 1.034 33.508 32.500 -0.042 0.000 1.183 204 K HN 0.584 nan 8.250 nan 0.000 0.445 205 I N 1.476 122.020 120.570 -0.044 0.000 2.686 205 I HA 0.311 4.481 4.170 -0.000 0.000 0.295 205 I C -0.421 175.678 176.117 -0.030 0.000 1.114 205 I CA -0.678 60.599 61.300 -0.039 0.000 1.038 205 I CB 2.359 40.332 38.000 -0.044 0.000 1.238 205 I HN 0.560 nan 8.210 nan 0.000 0.420 206 S N 2.220 117.903 115.700 -0.027 0.000 2.588 206 S HA 0.836 5.306 4.470 -0.000 0.000 0.275 206 S C 0.242 174.832 174.600 -0.017 0.000 1.130 206 S CA -0.040 58.148 58.200 -0.020 0.000 0.855 206 S CB 2.012 65.201 63.200 -0.020 0.000 1.116 206 S HN 1.383 nan 8.310 nan 0.000 0.472 207 G N 0.686 109.480 108.800 -0.010 0.000 2.175 207 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 207 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 207 G C 0.132 175.032 174.900 -0.001 0.000 0.982 207 G CA 0.159 45.256 45.100 -0.005 0.000 0.641 207 G HN 1.288 nan 8.290 nan 0.000 0.527 208 Q N 0.422 120.220 119.800 -0.004 0.000 2.315 208 Q HA 0.389 4.729 4.340 -0.000 0.000 0.289 208 Q C 1.181 177.187 176.000 0.010 0.000 1.044 208 Q CA 1.090 56.891 55.803 -0.002 0.000 0.920 208 Q CB 0.898 29.630 28.738 -0.009 0.000 1.214 208 Q HN 1.848 nan 8.270 nan 0.000 0.392 209 G N 2.157 110.968 108.800 0.017 0.000 2.213 209 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.236 209 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.236 209 G C 0.244 175.171 174.900 0.045 0.000 0.991 209 G CA 0.370 45.493 45.100 0.038 0.000 0.629 209 G HN 1.173 nan 8.290 nan 0.000 0.517 210 T N -1.875 112.696 114.554 0.028 0.000 2.938 210 T HA 0.565 4.915 4.350 -0.000 0.000 0.285 210 T C 1.018 175.731 174.700 0.022 0.000 1.028 210 T CA 0.541 62.655 62.100 0.024 0.000 1.005 210 T CB 1.820 70.697 68.868 0.015 0.000 1.157 210 T HN 0.253 nan 8.240 nan 0.000 0.550 211 D N -0.671 119.740 120.400 0.019 0.000 2.363 211 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 211 D C 0.642 176.953 176.300 0.020 0.000 1.020 211 D CA 0.044 54.055 54.000 0.019 0.000 0.892 211 D CB 0.236 41.046 40.800 0.016 0.000 0.900 211 D HN 0.556 nan 8.370 nan 0.000 0.531 212 R N 0.585 121.095 120.500 0.017 0.000 2.473 212 R HA 0.482 4.822 4.340 -0.000 0.000 0.303 212 R C -1.240 175.062 176.300 0.003 0.000 1.002 212 R CA -0.547 55.562 56.100 0.016 0.000 0.884 212 R CB 0.953 31.265 30.300 0.019 0.000 1.173 212 R HN -0.063 nan 8.270 nan 0.000 0.464 213 I N 4.713 125.282 120.570 -0.002 0.000 2.377 213 I HA 0.348 4.518 4.170 -0.000 0.000 0.293 213 I C -0.439 175.663 176.117 -0.026 0.000 0.987 213 I CA -1.155 60.137 61.300 -0.013 0.000 1.185 213 I CB 2.121 40.114 38.000 -0.013 0.000 1.341 213 I HN 0.246 nan 8.210 nan 0.000 0.455 214 V N 7.446 127.339 119.914 -0.034 0.000 2.417 214 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 214 V C -0.265 175.803 176.094 -0.043 0.000 1.024 214 V CA -0.462 61.809 62.300 -0.049 0.000 0.861 214 V CB 1.715 33.506 31.823 -0.054 0.000 0.985 214 V HN 0.430 nan 8.190 nan 0.000 0.436 215 I N 3.787 124.330 120.570 -0.045 0.000 2.436 215 I HA 0.492 4.662 4.170 -0.000 0.000 0.289 215 I C -0.298 175.794 176.117 -0.042 0.000 1.010 215 I CA -0.505 60.770 61.300 -0.041 0.000 1.098 215 I CB 1.975 39.953 38.000 -0.036 0.000 1.266 215 I HN 0.536 nan 8.210 nan 0.000 0.434 216 E N 4.369 124.544 120.200 -0.041 0.000 2.113 216 E HA 0.563 4.913 4.350 -0.000 0.000 0.273 216 E C 0.090 176.666 176.600 -0.039 0.000 0.924 216 E CA -0.440 55.937 56.400 -0.039 0.000 0.764 216 E CB 1.200 30.878 29.700 -0.037 0.000 1.104 216 E HN 0.702 nan 8.360 nan 0.000 0.406 217 G N 2.598 111.376 108.800 -0.036 0.000 2.491 217 G HA2 0.415 4.375 3.960 -0.000 0.000 0.238 217 G HA3 0.415 4.375 3.960 -0.000 0.000 0.238 217 G C -0.180 174.696 174.900 -0.039 0.000 1.277 217 G CA 0.153 45.231 45.100 -0.038 0.000 0.851 217 G HN 0.574 nan 8.290 nan 0.000 0.573 218 V N -0.330 119.557 119.914 -0.045 0.000 3.126 218 V HA 0.594 4.714 4.120 -0.000 0.000 0.314 218 V C 1.076 177.141 176.094 -0.048 0.000 1.138 218 V CA -0.491 61.781 62.300 -0.045 0.000 1.034 218 V CB 1.839 33.632 31.823 -0.050 0.000 1.075 218 V HN 0.827 nan 8.190 nan 0.000 0.442 219 E N 1.102 121.275 120.200 -0.046 0.000 2.072 219 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 219 E C 0.745 177.309 176.600 -0.061 0.000 0.985 219 E CA 1.280 57.651 56.400 -0.049 0.000 0.801 219 E CB 0.241 29.917 29.700 -0.041 0.000 0.750 219 E HN 0.780 nan 8.360 nan 0.000 0.452 220 R N -0.967 119.497 120.500 -0.061 0.000 2.692 220 R HA 0.419 4.759 4.340 -0.000 0.000 0.269 220 R C -1.404 174.854 176.300 -0.069 0.000 1.030 220 R CA -0.844 55.214 56.100 -0.070 0.000 0.882 220 R CB 0.656 30.918 30.300 -0.064 0.000 1.250 220 R HN -0.068 nan 8.270 nan 0.000 0.465 221 L N 1.314 122.491 121.223 -0.076 0.000 2.334 221 L HA 0.604 4.944 4.340 -0.000 0.000 0.275 221 L C 0.751 177.577 176.870 -0.074 0.000 1.036 221 L CA -0.588 54.200 54.840 -0.086 0.000 0.807 221 L CB 1.848 43.844 42.059 -0.106 0.000 1.231 221 L HN 0.995 nan 8.230 nan 0.000 0.438 222 G N 0.728 109.480 108.800 -0.080 0.000 3.022 222 G HA2 0.630 4.590 3.960 -0.000 0.000 0.157 222 G HA3 0.630 4.590 3.960 -0.000 0.000 0.157 222 G C -0.138 174.724 174.900 -0.063 0.000 1.468 222 G CA 0.176 45.240 45.100 -0.059 0.000 1.058 222 G HN 0.742 nan 8.290 nan 0.000 0.581 223 G N -2.834 105.937 108.800 -0.049 0.000 3.140 223 G HA2 0.738 4.698 3.960 -0.000 0.000 0.271 223 G HA3 0.738 4.698 3.960 -0.000 0.000 0.271 223 G C -0.405 174.474 174.900 -0.035 0.000 1.370 223 G CA 0.021 45.103 45.100 -0.030 0.000 1.014 223 G HN 1.712 nan 8.290 nan 0.000 0.541 224 G N -2.663 106.149 108.800 0.020 0.000 2.317 224 G HA2 0.529 4.489 3.960 -0.000 0.000 0.293 224 G HA3 0.529 4.489 3.960 -0.000 0.000 0.293 224 G C -2.127 172.850 174.900 0.128 0.000 1.287 224 G CA 0.004 45.132 45.100 0.047 0.000 0.850 224 G HN 1.279 nan 8.290 nan 0.000 0.515 225 V N 0.370 120.375 119.914 0.151 0.000 2.577 225 V HA 0.748 4.868 4.120 -0.000 0.000 0.303 225 V C -1.355 174.887 176.094 0.247 0.000 1.042 225 V CA -0.581 61.825 62.300 0.176 0.000 0.872 225 V CB 1.513 33.400 31.823 0.106 0.000 0.998 225 V HN 0.927 nan 8.190 nan 0.000 0.423 226 Y N 3.924 124.301 120.300 0.129 0.000 2.479 226 Y HA 0.596 5.146 4.550 -0.000 0.000 0.338 226 Y C -0.387 175.549 175.900 0.061 0.000 1.055 226 Y CA -0.811 57.370 58.100 0.134 0.000 1.023 226 Y CB 1.763 40.415 38.460 0.321 0.000 1.287 226 Y HN 0.626 nan 8.280 nan 0.000 0.447 227 R N 5.059 125.239 120.500 -0.533 0.000 2.255 227 R HA 0.622 4.962 4.340 -0.000 0.000 0.326 227 R C -1.421 174.710 176.300 -0.281 0.000 0.986 227 R CA -0.589 55.334 56.100 -0.296 0.000 0.847 227 R CB 0.969 31.125 30.300 -0.241 0.000 1.111 227 R HN 0.604 nan 8.270 nan 0.000 0.452 228 V N 6.456 126.344 119.914 -0.043 0.000 2.655 228 V HA 0.009 4.129 4.120 -0.000 0.000 0.300 228 V C 1.007 177.096 176.094 -0.009 0.000 1.044 228 V CA -0.146 62.177 62.300 0.038 0.000 1.095 228 V CB 0.601 32.430 31.823 0.010 0.000 0.952 228 V HN 0.697 nan 8.190 nan 0.000 0.485 229 L N 5.463 126.699 121.223 0.023 0.000 2.476 229 L HA 0.499 4.839 4.340 -0.000 0.000 0.264 229 L C -2.354 174.513 176.870 -0.005 0.000 1.224 229 L CA -1.462 53.378 54.840 -0.001 0.000 0.821 229 L CB 0.027 42.093 42.059 0.013 0.000 1.101 229 L HN 0.358 nan 8.230 nan 0.000 0.488 230 P HA 0.010 nan 4.420 nan 0.000 0.269 230 P C -1.215 176.086 177.300 0.003 0.000 1.215 230 P CA -0.037 63.065 63.100 0.005 0.000 0.780 230 P CB 0.353 32.060 31.700 0.013 0.000 0.898 231 D N 2.362 122.767 120.400 0.009 0.000 2.344 231 D HA -0.003 4.637 4.640 -0.000 0.000 0.253 231 D C 1.337 177.643 176.300 0.011 0.000 1.255 231 D CA -0.058 53.940 54.000 -0.003 0.000 0.894 231 D CB 0.523 41.314 40.800 -0.015 0.000 1.067 231 D HN 0.339 nan 8.370 nan 0.000 0.492 232 R N 3.744 124.241 120.500 -0.004 0.000 2.148 232 R HA -0.103 4.237 4.340 -0.000 0.000 0.227 232 R C 1.351 177.657 176.300 0.010 0.000 1.103 232 R CA 0.589 56.692 56.100 0.005 0.000 0.983 232 R CB -0.082 30.208 30.300 -0.017 0.000 0.874 232 R HN 0.335 nan 8.270 nan 0.000 0.451 233 I N 1.670 122.231 120.570 -0.016 0.000 2.406 233 I HA -0.099 4.071 4.170 -0.000 0.000 0.249 233 I C 2.488 178.614 176.117 0.015 0.000 1.122 233 I CA 1.089 62.379 61.300 -0.016 0.000 1.431 233 I CB -1.137 36.832 38.000 -0.053 0.000 1.087 233 I HN 0.356 nan 8.210 nan 0.000 0.424 234 E N 1.083 121.282 120.200 -0.002 0.000 2.077 234 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 234 E C 2.019 178.769 176.600 0.249 0.000 0.989 234 E CA 1.933 58.401 56.400 0.115 0.000 0.800 234 E CB 0.181 29.960 29.700 0.132 0.000 0.746 234 E HN 0.370 nan 8.360 nan 0.000 0.452 235 T N -0.115 114.555 114.554 0.193 0.000 2.684 235 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 235 T C 1.746 176.557 174.700 0.187 0.000 1.036 235 T CA 1.330 63.556 62.100 0.210 0.000 1.148 235 T CB -0.699 68.246 68.868 0.128 0.000 0.863 235 T HN 0.413 nan 8.240 nan 0.000 0.436 236 G N 0.963 109.839 108.800 0.127 0.000 2.422 236 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 236 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 236 G C 1.715 176.680 174.900 0.109 0.000 1.146 236 G CA 1.445 46.624 45.100 0.132 0.000 0.769 236 G HN 0.461 nan 8.290 nan 0.000 0.547 237 T N 0.915 115.506 114.554 0.061 0.000 2.708 237 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 237 T C 2.037 176.632 174.700 -0.174 0.000 1.037 237 T CA 1.094 63.151 62.100 -0.072 0.000 1.146 237 T CB -0.351 68.458 68.868 -0.099 0.000 0.865 237 T HN 0.294 nan 8.240 nan 0.000 0.435 238 F N 0.710 120.704 119.950 0.074 0.000 2.325 238 F HA 0.137 4.664 4.527 -0.000 0.000 0.299 238 F C 2.066 177.877 175.800 0.019 0.000 1.090 238 F CA 0.468 58.489 58.000 0.035 0.000 1.392 238 F CB -0.414 38.614 39.000 0.046 0.000 1.053 238 F HN 0.070 nan 8.300 nan 0.000 0.521 239 L N -0.913 120.419 121.223 0.181 0.000 2.056 239 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 239 L C 2.327 179.216 176.870 0.031 0.000 1.078 239 L CA 0.627 55.535 54.840 0.113 0.000 0.749 239 L CB -0.711 41.421 42.059 0.121 0.000 0.901 239 L HN -0.046 nan 8.230 nan 0.000 0.433 240 V N 0.087 119.987 119.914 -0.023 0.000 2.427 240 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 240 V C 2.767 178.802 176.094 -0.098 0.000 1.051 240 V CA 1.685 63.902 62.300 -0.139 0.000 1.048 240 V CB -0.804 30.890 31.823 -0.216 0.000 0.666 240 V HN 0.473 nan 8.190 nan 0.000 0.456 241 A N 0.101 122.886 122.820 -0.059 0.000 1.917 241 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 241 A C 2.410 179.988 177.584 -0.010 0.000 1.182 241 A CA 2.368 54.382 52.037 -0.039 0.000 0.633 241 A CB -0.768 18.236 19.000 0.006 0.000 0.819 241 A HN 0.585 nan 8.150 nan 0.000 0.448 242 A N -0.458 122.373 122.820 0.020 0.000 1.897 242 A HA 0.255 4.575 4.320 -0.000 0.000 0.215 242 A C 2.503 180.075 177.584 -0.019 0.000 1.181 242 A CA 1.858 53.900 52.037 0.009 0.000 0.620 242 A CB -0.972 18.044 19.000 0.026 0.000 0.821 242 A HN 1.039 nan 8.150 nan 0.000 0.443 243 A N 0.897 123.698 122.820 -0.033 0.000 1.877 243 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 243 A C 2.122 179.671 177.584 -0.057 0.000 1.186 243 A CA 1.625 53.633 52.037 -0.048 0.000 0.620 243 A CB -0.835 18.119 19.000 -0.077 0.000 0.822 243 A HN 0.979 nan 8.150 nan 0.000 0.443 244 I N -1.811 118.714 120.570 -0.075 0.000 2.676 244 I HA -0.056 4.114 4.170 -0.000 0.000 0.259 244 I C 1.725 177.813 176.117 -0.049 0.000 1.194 244 I CA 1.672 62.929 61.300 -0.070 0.000 1.473 244 I CB -0.247 37.701 38.000 -0.086 0.000 1.096 244 I HN 0.305 nan 8.210 nan 0.000 0.443 245 S N 0.724 116.400 115.700 -0.041 0.000 2.572 245 S HA 0.277 4.747 4.470 -0.000 0.000 0.228 245 S C 0.840 175.425 174.600 -0.025 0.000 0.963 245 S CA -0.605 57.576 58.200 -0.031 0.000 0.939 245 S CB -0.271 62.912 63.200 -0.028 0.000 0.804 245 S HN 0.591 nan 8.310 nan 0.000 0.480 246 R N 0.167 120.652 120.500 -0.025 0.000 3.422 246 R HA -0.133 4.207 4.340 -0.000 0.000 0.267 246 R C 0.685 176.970 176.300 -0.025 0.000 1.074 246 R CA 0.395 56.483 56.100 -0.020 0.000 0.718 246 R CB -2.473 27.820 30.300 -0.011 0.000 1.157 246 R HN 0.623 nan 8.270 nan 0.000 0.440 247 G N 0.265 109.047 108.800 -0.030 0.000 2.940 247 G HA2 0.607 4.567 3.960 -0.000 0.000 0.164 247 G HA3 0.607 4.567 3.960 -0.000 0.000 0.164 247 G C -0.783 174.086 174.900 -0.052 0.000 1.326 247 G CA -0.428 44.651 45.100 -0.035 0.000 1.020 247 G HN 0.058 nan 8.290 nan 0.000 0.586 248 K N -0.991 119.382 120.400 -0.045 0.000 2.546 248 K HA 0.604 4.924 4.320 -0.000 0.000 0.264 248 K C -2.150 174.434 176.600 -0.026 0.000 0.937 248 K CA -0.655 55.600 56.287 -0.054 0.000 0.833 248 K CB 2.602 35.050 32.500 -0.086 0.000 1.378 248 K HN 0.457 nan 8.250 nan 0.000 0.432 249 I N 3.875 124.441 120.570 -0.007 0.000 2.918 249 I HA 0.462 4.632 4.170 -0.000 0.000 0.301 249 I C -1.690 174.440 176.117 0.023 0.000 1.312 249 I CA -1.002 60.300 61.300 0.005 0.000 1.007 249 I CB 2.024 40.045 38.000 0.034 0.000 1.281 249 I HN 0.625 nan 8.210 nan 0.000 0.440 250 I N 5.742 126.314 120.570 0.004 0.000 2.418 250 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 250 I C -0.961 175.178 176.117 0.036 0.000 1.008 250 I CA -0.552 60.766 61.300 0.031 0.000 1.104 250 I CB 1.600 39.565 38.000 -0.058 0.000 1.264 250 I HN 0.441 nan 8.210 nan 0.000 0.438 251 C N 6.259 125.623 119.300 0.107 0.000 2.285 251 C HA 0.504 4.964 4.460 -0.000 0.000 0.335 251 C C 0.558 175.625 174.990 0.130 0.000 1.267 251 C CA -0.793 58.276 59.018 0.086 0.000 1.762 251 C CB -0.030 27.780 27.740 0.116 0.000 2.365 251 C HN 0.636 nan 8.230 nan 0.000 0.527 252 R N 2.409 122.951 120.500 0.070 0.000 2.596 252 R HA 0.295 4.635 4.340 -0.000 0.000 0.267 252 R C 0.273 176.617 176.300 0.073 0.000 1.026 252 R CA -0.449 55.704 56.100 0.090 0.000 1.087 252 R CB 0.287 30.603 30.300 0.027 0.000 1.132 252 R HN 0.762 nan 8.270 nan 0.000 0.531 253 N N -1.231 117.517 118.700 0.081 0.000 2.735 253 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 253 N C -1.023 174.517 175.510 0.050 0.000 1.083 253 N CA 1.163 54.244 53.050 0.052 0.000 0.703 253 N CB -0.965 37.538 38.487 0.027 0.000 1.005 253 N HN 0.736 nan 8.380 nan 0.000 0.550 254 A N -0.209 122.652 122.820 0.069 0.000 2.269 254 A HA 0.705 5.025 4.320 -0.000 0.000 0.327 254 A C 0.240 177.834 177.584 0.017 0.000 1.112 254 A CA -0.391 51.676 52.037 0.051 0.000 0.865 254 A CB 1.090 20.134 19.000 0.072 0.000 1.227 254 A HN 0.224 nan 8.150 nan 0.000 0.498 255 Q N 0.366 120.169 119.800 0.004 0.000 2.771 255 Q HA 0.322 4.662 4.340 -0.000 0.000 0.247 255 Q C -2.298 173.690 176.000 -0.020 0.000 0.986 255 Q CA -1.755 54.039 55.803 -0.015 0.000 0.713 255 Q CB 1.295 30.027 28.738 -0.009 0.000 1.241 255 Q HN 0.427 nan 8.270 nan 0.000 0.488 256 P HA -0.225 nan 4.420 nan 0.000 0.216 256 P C 0.576 177.863 177.300 -0.023 0.000 1.154 256 P CA 1.643 64.713 63.100 -0.051 0.000 0.865 256 P CB 0.197 31.828 31.700 -0.115 0.000 0.789 257 D N -1.472 118.916 120.400 -0.019 0.000 2.392 257 D HA -0.100 4.540 4.640 -0.000 0.000 0.228 257 D C 1.110 177.439 176.300 0.048 0.000 1.003 257 D CA 1.250 55.254 54.000 0.006 0.000 0.917 257 D CB -1.419 39.382 40.800 0.002 0.000 0.890 257 D HN 0.228 nan 8.370 nan 0.000 0.532 258 T N -2.612 111.968 114.554 0.043 0.000 3.107 258 T HA 0.186 4.536 4.350 -0.000 0.000 0.249 258 T C 1.282 176.045 174.700 0.105 0.000 1.096 258 T CA -0.178 61.967 62.100 0.073 0.000 1.012 258 T CB -0.219 68.649 68.868 -0.000 0.000 0.977 258 T HN 0.187 nan 8.240 nan 0.000 0.527 259 L N 0.668 121.926 121.223 0.058 0.000 3.289 259 L HA 0.374 4.714 4.340 -0.000 0.000 0.291 259 L C 0.782 177.661 176.870 0.015 0.000 1.279 259 L CA -0.300 54.559 54.840 0.031 0.000 1.025 259 L CB 0.551 42.625 42.059 0.025 0.000 1.413 259 L HN -0.041 nan 8.230 nan 0.000 0.593 260 D N 1.575 121.982 120.400 0.012 0.000 2.126 260 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 260 D C 2.171 178.470 176.300 -0.002 0.000 1.001 260 D CA 1.843 55.840 54.000 -0.004 0.000 0.841 260 D CB 0.196 40.982 40.800 -0.023 0.000 0.949 260 D HN 0.399 nan 8.370 nan 0.000 0.446 261 A N 0.362 123.169 122.820 -0.022 0.000 1.902 261 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 261 A C 2.555 180.163 177.584 0.040 0.000 1.181 261 A CA 1.284 53.324 52.037 0.006 0.000 0.623 261 A CB -0.724 18.273 19.000 -0.005 0.000 0.818 261 A HN 0.158 nan 8.150 nan 0.000 0.443 262 V N 0.241 120.136 119.914 -0.032 0.000 2.358 262 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 262 V C 2.554 178.737 176.094 0.149 0.000 1.047 262 V CA 1.885 64.189 62.300 0.007 0.000 1.035 262 V CB -0.708 31.081 31.823 -0.055 0.000 0.658 262 V HN 0.566 nan 8.190 nan 0.000 0.452 263 L N -0.018 121.263 121.223 0.097 0.000 2.093 263 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 263 L C 2.719 179.650 176.870 0.103 0.000 1.085 263 L CA 1.461 56.364 54.840 0.104 0.000 0.755 263 L CB -0.838 41.256 42.059 0.059 0.000 0.904 263 L HN 0.370 nan 8.230 nan 0.000 0.435 264 A N -0.134 122.733 122.820 0.079 0.000 1.898 264 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 264 A C 2.327 179.965 177.584 0.091 0.000 1.181 264 A CA 1.311 53.388 52.037 0.066 0.000 0.620 264 A CB -0.236 18.788 19.000 0.040 0.000 0.819 264 A HN 0.172 nan 8.150 nan 0.000 0.442 265 K N -0.106 120.369 120.400 0.125 0.000 2.097 265 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 265 K C 1.861 178.615 176.600 0.255 0.000 1.050 265 K CA 0.941 57.323 56.287 0.159 0.000 0.938 265 K CB -0.644 31.928 32.500 0.120 0.000 0.718 265 K HN 0.552 nan 8.250 nan 0.000 0.442 266 L N 0.452 121.856 121.223 0.301 0.000 2.083 266 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 266 L C 2.576 179.526 176.870 0.133 0.000 1.083 266 L CA 1.161 56.139 54.840 0.231 0.000 0.752 266 L CB -0.292 41.893 42.059 0.210 0.000 0.899 266 L HN 0.146 nan 8.230 nan 0.000 0.433 267 R N -0.103 120.464 120.500 0.113 0.000 2.096 267 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 267 R C 1.768 178.109 176.300 0.068 0.000 1.127 267 R CA 1.396 57.544 56.100 0.080 0.000 0.968 267 R CB -0.372 29.967 30.300 0.066 0.000 0.861 267 R HN 0.373 nan 8.270 nan 0.000 0.440 268 D N 0.616 121.058 120.400 0.069 0.000 2.219 268 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 268 D C 1.433 177.762 176.300 0.047 0.000 0.970 268 D CA 1.090 55.119 54.000 0.047 0.000 0.851 268 D CB -0.020 40.799 40.800 0.032 0.000 0.943 268 D HN 0.237 nan 8.370 nan 0.000 0.488 269 A N -0.345 122.517 122.820 0.068 0.000 2.238 269 A HA 0.397 4.717 4.320 -0.000 0.000 0.208 269 A C 1.761 179.369 177.584 0.040 0.000 1.177 269 A CA 1.097 53.164 52.037 0.051 0.000 0.804 269 A CB -0.062 18.972 19.000 0.056 0.000 0.823 269 A HN 0.256 nan 8.150 nan 0.000 0.482 270 G N -2.360 106.470 108.800 0.050 0.000 2.179 270 G HA2 0.148 4.108 3.960 -0.000 0.000 0.220 270 G HA3 0.148 4.108 3.960 -0.000 0.000 0.220 270 G C 0.361 175.303 174.900 0.070 0.000 0.990 270 G CA 0.097 45.229 45.100 0.053 0.000 0.646 270 G HN 1.498 nan 8.290 nan 0.000 0.517 271 A N 0.181 123.043 122.820 0.069 0.000 2.388 271 A HA 0.563 4.883 4.320 -0.000 0.000 0.257 271 A C 0.107 177.748 177.584 0.095 0.000 1.095 271 A CA 0.553 52.634 52.037 0.074 0.000 0.791 271 A CB 0.602 19.639 19.000 0.062 0.000 1.029 271 A HN 0.519 nan 8.150 nan 0.000 0.489 272 D N 2.095 122.564 120.400 0.114 0.000 2.396 272 D HA 0.456 5.096 4.640 -0.000 0.000 0.225 272 D C -0.624 175.740 176.300 0.107 0.000 1.121 272 D CA 0.058 54.144 54.000 0.143 0.000 0.853 272 D CB 0.051 41.016 40.800 0.274 0.000 1.043 272 D HN 0.348 nan 8.370 nan 0.000 0.500 273 I N 3.024 123.653 120.570 0.098 0.000 2.441 273 I HA 0.348 4.518 4.170 -0.000 0.000 0.295 273 I C 0.263 176.436 176.117 0.094 0.000 0.994 273 I CA -0.773 60.584 61.300 0.095 0.000 1.144 273 I CB 1.750 39.797 38.000 0.078 0.000 1.314 273 I HN 0.265 nan 8.210 nan 0.000 0.445 274 E N 5.113 125.390 120.200 0.129 0.000 2.288 274 E HA 0.667 5.017 4.350 -0.000 0.000 0.268 274 E C -1.329 175.245 176.600 -0.043 0.000 0.885 274 E CA -0.851 55.617 56.400 0.114 0.000 0.767 274 E CB 3.331 33.203 29.700 0.287 0.000 1.220 274 E HN 0.403 nan 8.360 nan 0.000 0.427 275 V N -1.597 118.111 119.914 -0.344 0.000 3.007 275 V HA 0.959 5.079 4.120 -0.000 0.000 0.311 275 V C -0.191 175.172 176.094 -1.218 0.000 1.120 275 V CA -0.447 61.401 62.300 -0.753 0.000 0.980 275 V CB 1.647 33.240 31.823 -0.383 0.000 1.033 275 V HN 0.765 nan 8.190 nan 0.000 0.429 276 G N 1.163 108.874 108.800 -1.816 0.000 3.211 276 G HA2 0.527 4.487 3.960 -0.000 0.000 0.262 276 G HA3 0.527 4.487 3.960 -0.000 0.000 0.262 276 G C 0.033 174.527 174.900 -0.676 0.000 1.352 276 G CA 0.235 44.521 45.100 -1.356 0.000 1.004 276 G HN 0.925 nan 8.290 nan 0.000 0.559 277 E N -0.459 119.553 120.200 -0.314 0.000 2.110 277 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 277 E C 0.791 177.318 176.600 -0.122 0.000 0.988 277 E CA 1.974 58.287 56.400 -0.146 0.000 0.804 277 E CB 0.177 29.859 29.700 -0.030 0.000 0.745 277 E HN 0.468 nan 8.360 nan 0.000 0.458 278 D N -1.148 119.205 120.400 -0.080 0.000 2.837 278 D HA 0.078 4.718 4.640 -0.000 0.000 0.340 278 D C -0.560 175.824 176.300 0.141 0.000 1.451 278 D CA -0.588 53.426 54.000 0.023 0.000 0.798 278 D CB -0.881 39.966 40.800 0.079 0.000 1.169 278 D HN 0.293 nan 8.370 nan 0.000 0.449 279 W N -0.273 121.030 121.300 0.005 0.000 3.146 279 W HA 0.668 5.328 4.660 -0.000 0.000 0.319 279 W C -2.145 174.381 176.519 0.013 0.000 1.258 279 W CA -1.284 56.064 57.345 0.005 0.000 1.189 279 W CB 0.453 29.912 29.460 -0.001 0.000 1.412 279 W HN -0.268 nan 8.180 nan 0.000 0.567 280 I N 2.903 123.688 120.570 0.359 0.000 2.607 280 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 280 I C -0.193 176.150 176.117 0.377 0.000 1.129 280 I CA -0.667 60.774 61.300 0.234 0.000 1.042 280 I CB 2.561 40.625 38.000 0.106 0.000 1.242 280 I HN 0.454 nan 8.210 nan 0.000 0.421 281 S N 6.778 122.716 115.700 0.398 0.000 2.532 281 S HA 0.860 5.330 4.470 -0.000 0.000 0.301 281 S C -0.976 173.721 174.600 0.162 0.000 1.083 281 S CA -0.761 57.600 58.200 0.268 0.000 1.025 281 S CB 2.401 65.767 63.200 0.276 0.000 1.056 281 S HN 0.633 nan 8.310 nan 0.000 0.494 282 L N 1.862 123.142 121.223 0.095 0.000 2.410 282 L HA 0.724 5.064 4.340 -0.000 0.000 0.270 282 L C -1.987 174.879 176.870 -0.006 0.000 0.983 282 L CA -0.287 54.587 54.840 0.056 0.000 0.822 282 L CB 1.965 44.060 42.059 0.059 0.000 1.285 282 L HN 0.830 nan 8.230 nan 0.000 0.409 283 D N 4.739 125.108 120.400 -0.053 0.000 2.788 283 D HA 0.307 4.947 4.640 -0.000 0.000 0.247 283 D C 0.187 176.367 176.300 -0.201 0.000 1.236 283 D CA -0.424 53.454 54.000 -0.203 0.000 0.898 283 D CB 1.836 42.398 40.800 -0.396 0.000 1.401 283 D HN 0.480 nan 8.370 nan 0.000 0.549 284 M N 1.667 121.179 119.600 -0.147 0.000 2.556 284 M HA 0.041 4.521 4.480 -0.000 0.000 0.245 284 M C 0.239 176.552 176.300 0.023 0.000 1.128 284 M CA 0.206 55.485 55.300 -0.034 0.000 1.069 284 M CB -0.759 31.832 32.600 -0.016 0.000 1.469 284 M HN 0.501 nan 8.290 nan 0.000 0.494 285 H N 0.222 119.300 119.070 0.012 0.000 2.741 285 H HA -0.170 4.386 4.556 -0.000 0.000 0.305 285 H C 1.351 176.683 175.328 0.005 0.000 1.169 285 H CA 0.944 56.997 56.048 0.009 0.000 1.144 285 H CB -2.041 27.728 29.762 0.012 0.000 1.397 285 H HN 0.660 nan 8.280 nan 0.000 0.409 286 G N -0.650 108.175 108.800 0.042 0.000 2.189 286 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.267 286 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.267 286 G C 0.332 175.251 174.900 0.032 0.000 0.975 286 G CA 0.809 45.927 45.100 0.030 0.000 0.644 286 G HN 0.369 nan 8.290 nan 0.000 0.537 287 K N 0.262 120.689 120.400 0.045 0.000 2.118 287 K HA 0.441 4.761 4.320 -0.000 0.000 0.267 287 K C 0.658 177.269 176.600 0.018 0.000 0.991 287 K CA -0.942 55.367 56.287 0.036 0.000 0.916 287 K CB 1.224 33.755 32.500 0.052 0.000 1.041 287 K HN 0.414 nan 8.250 nan 0.000 0.455 288 R N 3.124 123.631 120.500 0.011 0.000 2.491 288 R HA 0.114 4.454 4.340 -0.000 0.000 0.283 288 R C -1.969 174.333 176.300 0.002 0.000 1.072 288 R CA -1.006 55.094 56.100 0.001 0.000 1.048 288 R CB 0.294 30.594 30.300 -0.000 0.000 0.983 288 R HN 0.354 nan 8.270 nan 0.000 0.450 289 P HA 0.069 nan 4.420 nan 0.000 0.272 289 P C -1.229 176.070 177.300 -0.002 0.000 1.230 289 P CA -0.080 63.016 63.100 -0.006 0.000 0.788 289 P CB 0.688 32.370 31.700 -0.030 0.000 0.949 290 K N 0.608 121.012 120.400 0.006 0.000 2.130 290 K HA 0.528 4.848 4.320 -0.000 0.000 0.268 290 K C 0.237 176.838 176.600 0.001 0.000 0.983 290 K CA -0.693 55.598 56.287 0.007 0.000 0.893 290 K CB 1.401 33.909 32.500 0.013 0.000 1.066 290 K HN 0.547 nan 8.250 nan 0.000 0.450 291 A N 1.818 124.635 122.820 -0.004 0.000 2.483 291 A HA 0.339 4.659 4.320 -0.000 0.000 0.238 291 A C 0.273 177.838 177.584 -0.031 0.000 1.070 291 A CA -0.323 51.704 52.037 -0.017 0.000 0.770 291 A CB 0.055 19.043 19.000 -0.019 0.000 1.008 291 A HN 0.542 nan 8.150 nan 0.000 0.497 292 V N -0.318 119.565 119.914 -0.050 0.000 3.040 292 V HA 0.678 4.798 4.120 -0.000 0.000 0.312 292 V C -0.707 175.233 176.094 -0.257 0.000 1.115 292 V CA -1.438 60.801 62.300 -0.102 0.000 0.998 292 V CB 2.150 33.959 31.823 -0.025 0.000 1.042 292 V HN 0.759 nan 8.190 nan 0.000 0.433 293 N N 0.880 119.330 118.700 -0.417 0.000 2.430 293 N HA 0.798 5.538 4.740 -0.000 0.000 0.292 293 N C -0.948 174.122 175.510 -0.735 0.000 1.051 293 N CA -0.261 52.241 53.050 -0.913 0.000 0.917 293 N CB 1.869 39.617 38.487 -1.232 0.000 1.164 293 N HN 0.715 nan 8.380 nan 0.000 0.484 294 V N 1.391 120.852 119.914 -0.754 0.000 2.841 294 V HA 0.523 4.643 4.120 -0.000 0.000 0.310 294 V C -0.249 175.690 176.094 -0.258 0.000 1.090 294 V CA -0.902 61.055 62.300 -0.571 0.000 0.930 294 V CB 2.722 34.022 31.823 -0.871 0.000 1.014 294 V HN 0.586 nan 8.190 nan 0.000 0.425 295 R N 2.059 122.462 120.500 -0.161 0.000 2.483 295 R HA 0.565 4.905 4.340 -0.000 0.000 0.303 295 R C -0.126 176.202 176.300 0.046 0.000 0.987 295 R CA -0.253 55.872 56.100 0.041 0.000 0.881 295 R CB 1.746 32.114 30.300 0.114 0.000 1.177 295 R HN 0.961 nan 8.270 nan 0.000 0.451 296 T N 1.123 115.744 114.554 0.111 0.000 2.898 296 T HA 0.720 5.070 4.350 -0.000 0.000 0.301 296 T C 0.115 174.889 174.700 0.123 0.000 1.049 296 T CA -0.112 62.112 62.100 0.206 0.000 1.095 296 T CB 1.595 70.603 68.868 0.233 0.000 0.976 296 T HN 0.715 nan 8.240 nan 0.000 0.539 297 A N 2.452 125.340 122.820 0.114 0.000 2.544 297 A HA 0.719 5.039 4.320 -0.000 0.000 0.291 297 A C -3.168 174.446 177.584 0.049 0.000 1.055 297 A CA -1.639 50.431 52.037 0.055 0.000 0.651 297 A CB 0.170 19.195 19.000 0.042 0.000 1.296 297 A HN 0.663 nan 8.150 nan 0.000 0.431 298 P HA 0.273 nan 4.420 nan 0.000 0.270 298 P C -0.355 176.985 177.300 0.066 0.000 1.223 298 P CA 0.290 63.417 63.100 0.046 0.000 0.785 298 P CB 0.158 31.874 31.700 0.026 0.000 0.923 299 H N 3.594 122.663 119.070 -0.002 0.000 3.016 299 H HA 0.007 4.563 4.556 0.000 0.000 0.345 299 H C -1.174 174.152 175.328 -0.003 0.000 1.066 299 H CA -0.559 55.485 56.048 -0.007 0.000 1.390 299 H CB 0.251 30.008 29.762 -0.009 0.000 1.344 299 H HN 0.317 nan 8.280 nan 0.000 0.605 300 P HA 0.116 nan 4.420 nan 0.000 0.255 300 P C -0.365 176.712 177.300 -0.371 0.000 1.301 300 P CA 0.200 62.753 63.100 -0.912 0.000 0.817 300 P CB -0.064 31.235 31.700 -0.669 0.000 1.259 301 A N 0.442 123.167 122.820 -0.158 0.000 2.292 301 A HA 0.256 4.576 4.320 -0.000 0.000 0.265 301 A C -0.201 177.392 177.584 0.015 0.000 1.133 301 A CA -0.556 51.460 52.037 -0.035 0.000 0.807 301 A CB -0.534 18.476 19.000 0.017 0.000 1.102 301 A HN 0.180 nan 8.150 nan 0.000 0.502 302 F N 1.699 121.603 119.950 -0.076 0.000 2.578 302 F HA 0.292 4.819 4.527 0.000 0.000 0.381 302 F C -1.660 174.117 175.800 -0.038 0.000 1.069 302 F CA -1.386 56.557 58.000 -0.094 0.000 1.231 302 F CB 0.651 39.558 39.000 -0.154 0.000 1.086 302 F HN 0.268 nan 8.300 nan 0.000 0.564 303 P HA 0.002 nan 4.420 nan 0.000 0.280 303 P C 0.253 177.554 177.300 0.001 0.000 1.244 303 P CA -0.145 62.864 63.100 -0.151 0.000 0.784 303 P CB 1.594 33.180 31.700 -0.191 0.000 0.913 304 T N 1.240 115.878 114.554 0.140 0.000 2.849 304 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 304 T C 0.992 175.793 174.700 0.169 0.000 1.066 304 T CA 1.602 63.835 62.100 0.221 0.000 1.130 304 T CB -0.702 68.335 68.868 0.282 0.000 0.864 304 T HN 0.289 nan 8.240 nan 0.000 0.481 305 D N 0.350 120.807 120.400 0.094 0.000 2.392 305 D HA 0.042 4.682 4.640 -0.000 0.000 0.228 305 D C 1.292 177.621 176.300 0.048 0.000 1.003 305 D CA 0.529 54.563 54.000 0.056 0.000 0.917 305 D CB 0.045 40.861 40.800 0.026 0.000 0.890 305 D HN 0.397 nan 8.370 nan 0.000 0.532 306 M N -0.281 119.343 119.600 0.040 0.000 2.313 306 M HA 0.060 4.540 4.480 -0.000 0.000 0.273 306 M C 1.602 178.140 176.300 0.396 0.000 1.049 306 M CA 0.103 55.477 55.300 0.124 0.000 1.004 306 M CB 0.452 32.963 32.600 -0.148 0.000 1.461 306 M HN -0.010 nan 8.290 nan 0.000 0.514 307 Q N 1.035 121.060 119.800 0.375 0.000 2.084 307 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 307 Q C 1.705 177.862 176.000 0.261 0.000 0.978 307 Q CA 2.066 58.116 55.803 0.411 0.000 0.844 307 Q CB 0.106 29.055 28.738 0.353 0.000 0.898 307 Q HN 0.455 nan 8.270 nan 0.000 0.426 308 A N 0.537 123.372 122.820 0.025 0.000 1.933 308 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 308 A C 2.001 179.538 177.584 -0.079 0.000 1.175 308 A CA 1.616 53.428 52.037 -0.375 0.000 0.628 308 A CB -0.439 18.185 19.000 -0.627 0.000 0.814 308 A HN 0.475 nan 8.150 nan 0.000 0.444 309 Q N -1.266 118.568 119.800 0.058 0.000 2.084 309 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 309 Q C 1.600 177.651 176.000 0.084 0.000 0.978 309 Q CA 1.600 57.441 55.803 0.062 0.000 0.844 309 Q CB -0.408 28.384 28.738 0.090 0.000 0.898 309 Q HN 0.679 nan 8.270 nan 0.000 0.426 310 F N 0.051 120.074 119.950 0.122 0.000 2.407 310 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 310 F C 2.115 177.948 175.800 0.055 0.000 1.097 310 F CA 1.036 59.101 58.000 0.108 0.000 1.422 310 F CB -0.245 38.851 39.000 0.160 0.000 1.067 310 F HN 0.017 nan 8.300 nan 0.000 0.539 311 T N 0.526 115.222 114.554 0.237 0.000 2.708 311 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 311 T C 2.036 176.797 174.700 0.100 0.000 1.037 311 T CA 1.384 63.596 62.100 0.187 0.000 1.146 311 T CB -0.556 68.527 68.868 0.360 0.000 0.865 311 T HN 0.155 nan 8.240 nan 0.000 0.435 312 L N 1.294 122.564 121.223 0.079 0.000 2.012 312 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 312 L C 2.222 179.069 176.870 -0.038 0.000 1.073 312 L CA 1.535 56.385 54.840 0.016 0.000 0.748 312 L CB -0.906 41.146 42.059 -0.011 0.000 0.891 312 L HN 0.271 nan 8.230 nan 0.000 0.431 313 L N -0.369 120.798 121.223 -0.092 0.000 1.989 313 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 313 L C 2.265 179.090 176.870 -0.076 0.000 1.071 313 L CA 1.913 56.666 54.840 -0.144 0.000 0.749 313 L CB -0.592 41.269 42.059 -0.330 0.000 0.890 313 L HN 0.390 nan 8.230 nan 0.000 0.431 314 N N -0.013 118.667 118.700 -0.034 0.000 2.223 314 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 314 N C 1.776 177.270 175.510 -0.027 0.000 1.016 314 N CA 1.389 54.425 53.050 -0.023 0.000 0.863 314 N CB -0.385 38.094 38.487 -0.015 0.000 0.983 314 N HN 0.391 nan 8.380 nan 0.000 0.429 315 L N 0.372 121.581 121.223 -0.023 0.000 2.465 315 L HA -0.024 4.316 4.340 -0.000 0.000 0.224 315 L C 1.427 178.274 176.870 -0.039 0.000 1.145 315 L CA 0.451 55.275 54.840 -0.027 0.000 0.834 315 L CB -0.012 42.034 42.059 -0.021 0.000 0.944 315 L HN 0.080 nan 8.230 nan 0.000 0.451 316 V N -5.105 114.785 119.914 -0.040 0.000 3.346 316 V HA 0.500 4.620 4.120 -0.000 0.000 0.309 316 V C 0.866 176.942 176.094 -0.031 0.000 1.457 316 V CA -0.176 62.099 62.300 -0.042 0.000 1.069 316 V CB -0.247 31.548 31.823 -0.047 0.000 0.944 316 V HN 0.095 nan 8.190 nan 0.000 0.449 317 A N 0.880 123.684 122.820 -0.026 0.000 2.246 317 A HA 0.699 5.019 4.320 -0.000 0.000 0.291 317 A C 0.067 177.651 177.584 -0.001 0.000 1.103 317 A CA -0.313 51.714 52.037 -0.017 0.000 0.844 317 A CB 0.708 19.696 19.000 -0.020 0.000 1.136 317 A HN 0.459 nan 8.150 nan 0.000 0.500 318 E N -0.164 120.038 120.200 0.004 0.000 2.152 318 E HA 0.480 4.830 4.350 -0.000 0.000 0.285 318 E C 0.469 177.083 176.600 0.022 0.000 1.043 318 E CA 1.232 57.641 56.400 0.015 0.000 0.839 318 E CB -0.181 29.528 29.700 0.014 0.000 1.069 318 E HN 1.685 nan 8.360 nan 0.000 0.399 319 G N 2.933 111.757 108.800 0.039 0.000 2.549 319 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.404 319 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.404 319 G C -0.589 174.346 174.900 0.058 0.000 1.292 319 G CA -0.461 44.669 45.100 0.051 0.000 0.935 319 G HN 0.603 nan 8.290 nan 0.000 0.512 320 T N 0.547 115.139 114.554 0.064 0.000 2.829 320 T HA 0.745 5.095 4.350 -0.000 0.000 0.282 320 T C 0.587 175.278 174.700 -0.015 0.000 0.990 320 T CA 0.531 62.648 62.100 0.029 0.000 1.028 320 T CB 1.559 70.497 68.868 0.117 0.000 0.951 320 T HN 1.781 nan 8.240 nan 0.000 0.460 321 G N 1.778 110.539 108.800 -0.065 0.000 2.696 321 G HA2 0.695 4.655 3.960 -0.000 0.000 0.295 321 G HA3 0.695 4.655 3.960 -0.000 0.000 0.295 321 G C -1.466 173.413 174.900 -0.036 0.000 1.398 321 G CA -0.917 44.134 45.100 -0.082 0.000 0.920 321 G HN 0.624 nan 8.290 nan 0.000 0.492 322 F N 0.077 119.980 119.950 -0.078 0.000 2.538 322 F HA 0.852 5.379 4.527 -0.000 0.000 0.325 322 F C -0.785 174.973 175.800 -0.070 0.000 1.066 322 F CA -2.111 55.840 58.000 -0.083 0.000 0.946 322 F CB 1.637 40.599 39.000 -0.064 0.000 1.199 322 F HN 0.234 nan 8.300 nan 0.000 0.473 323 I N 2.607 123.332 120.570 0.259 0.000 2.448 323 I HA 0.228 4.398 4.170 -0.000 0.000 0.281 323 I C -0.748 175.567 176.117 0.331 0.000 1.027 323 I CA -0.304 61.106 61.300 0.184 0.000 1.111 323 I CB 1.366 39.451 38.000 0.141 0.000 1.236 323 I HN 0.704 nan 8.210 nan 0.000 0.452 324 T N 4.854 119.621 114.554 0.356 0.000 2.733 324 T HA 0.241 4.591 4.350 -0.000 0.000 0.294 324 T C 0.088 174.930 174.700 0.235 0.000 0.956 324 T CA -0.326 61.948 62.100 0.290 0.000 0.987 324 T CB 1.275 70.273 68.868 0.217 0.000 0.920 324 T HN 0.394 nan 8.240 nan 0.000 0.470 325 E N 2.352 122.702 120.200 0.250 0.000 2.055 325 E HA 0.303 4.653 4.350 -0.000 0.000 0.274 325 E C 0.978 177.601 176.600 0.040 0.000 0.949 325 E CA -0.550 55.922 56.400 0.120 0.000 0.775 325 E CB 0.571 30.247 29.700 -0.040 0.000 1.097 325 E HN 0.635 nan 8.360 nan 0.000 0.404 326 T N 0.273 114.850 114.554 0.040 0.000 3.023 326 T HA 0.112 4.462 4.350 -0.000 0.000 0.253 326 T C 1.127 175.791 174.700 -0.060 0.000 1.038 326 T CA 0.428 62.526 62.100 -0.003 0.000 0.962 326 T CB 0.148 69.021 68.868 0.008 0.000 1.018 326 T HN 0.184 nan 8.240 nan 0.000 0.521 327 V N -0.395 119.472 119.914 -0.080 0.000 2.575 327 V HA 0.405 4.525 4.120 -0.000 0.000 0.242 327 V C 0.363 176.155 176.094 -0.504 0.000 1.045 327 V CA 0.460 62.602 62.300 -0.264 0.000 1.065 327 V CB -0.325 31.354 31.823 -0.239 0.000 0.717 327 V HN 0.434 nan 8.190 nan 0.000 0.467 328 F N 0.619 120.540 119.950 -0.048 0.000 2.546 328 F HA 0.406 4.933 4.527 -0.000 0.000 0.320 328 F C 1.178 176.908 175.800 -0.118 0.000 1.076 328 F CA -0.749 57.209 58.000 -0.070 0.000 0.928 328 F CB 1.564 40.524 39.000 -0.067 0.000 1.189 328 F HN -0.014 nan 8.300 nan 0.000 0.465 329 E N 0.545 120.807 120.200 0.104 0.000 2.474 329 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 329 E C -0.396 176.173 176.600 -0.051 0.000 1.041 329 E CA 0.508 56.903 56.400 -0.008 0.000 0.874 329 E CB 0.073 29.777 29.700 0.006 0.000 0.914 329 E HN 0.759 nan 8.360 nan 0.000 0.498 330 N N 0.503 119.182 118.700 -0.034 0.000 2.672 330 N HA 0.137 4.877 4.740 -0.000 0.000 0.295 330 N C -0.500 174.964 175.510 -0.078 0.000 1.924 330 N CA -0.165 52.850 53.050 -0.057 0.000 0.851 330 N CB 0.465 38.943 38.487 -0.016 0.000 1.281 330 N HN -0.081 nan 8.380 nan 0.000 0.494 331 R N 1.032 121.425 120.500 -0.178 0.000 2.865 331 R HA 0.242 4.582 4.340 -0.000 0.000 0.370 331 R C -0.650 175.705 176.300 0.091 0.000 1.168 331 R CA -0.159 55.892 56.100 -0.081 0.000 1.058 331 R CB -0.008 30.257 30.300 -0.058 0.000 1.419 331 R HN 0.313 nan 8.270 nan 0.000 0.580 332 F N 0.416 120.434 119.950 0.114 0.000 2.735 332 F HA 0.034 4.561 4.527 -0.000 0.000 0.308 332 F C 1.578 177.311 175.800 -0.112 0.000 1.112 332 F CA -0.653 57.340 58.000 -0.011 0.000 1.235 332 F CB 0.796 39.763 39.000 -0.056 0.000 1.027 332 F HN 0.163 nan 8.300 nan 0.000 0.528 333 M N -0.505 119.214 119.600 0.199 0.000 2.446 333 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 333 M C 2.036 178.386 176.300 0.084 0.000 1.066 333 M CA 1.864 57.225 55.300 0.102 0.000 1.087 333 M CB -1.085 31.558 32.600 0.072 0.000 1.406 333 M HN 0.169 nan 8.290 nan 0.000 0.459 334 H N -0.549 118.567 119.070 0.077 0.000 2.495 334 H HA 0.097 4.653 4.556 -0.000 0.000 0.287 334 H C 1.875 177.226 175.328 0.039 0.000 1.033 334 H CA 1.409 57.486 56.048 0.048 0.000 1.307 334 H CB -1.326 28.469 29.762 0.055 0.000 1.401 334 H HN 0.395 nan 8.280 nan 0.000 0.555 335 V N 2.303 121.961 119.914 -0.426 0.000 2.261 335 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 335 V C -0.275 175.753 176.094 -0.109 0.000 1.047 335 V CA 2.089 64.213 62.300 -0.294 0.000 1.015 335 V CB -1.368 30.231 31.823 -0.374 0.000 0.642 335 V HN 0.403 nan 8.190 nan 0.000 0.446 336 P HA -0.098 nan 4.420 nan 0.000 0.218 336 P C 1.600 178.896 177.300 -0.006 0.000 1.149 336 P CA 1.073 64.158 63.100 -0.025 0.000 0.817 336 P CB 0.012 31.706 31.700 -0.010 0.000 0.785 337 E N -0.540 119.662 120.200 0.003 0.000 2.107 337 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 337 E C 2.055 178.664 176.600 0.016 0.000 0.982 337 E CA 0.893 57.303 56.400 0.017 0.000 0.809 337 E CB -0.743 28.977 29.700 0.033 0.000 0.756 337 E HN 0.319 nan 8.360 nan 0.000 0.459 338 L N 0.771 122.004 121.223 0.016 0.000 2.201 338 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 338 L C 2.409 179.279 176.870 -0.000 0.000 1.105 338 L CA 0.621 55.468 54.840 0.012 0.000 0.775 338 L CB -0.198 41.875 42.059 0.024 0.000 0.913 338 L HN -0.006 nan 8.230 nan 0.000 0.440 339 S N -0.271 115.430 115.700 0.001 0.000 2.399 339 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 339 S C 1.961 176.572 174.600 0.019 0.000 1.022 339 S CA 1.067 59.277 58.200 0.017 0.000 0.983 339 S CB -0.179 63.033 63.200 0.019 0.000 0.803 339 S HN 0.384 nan 8.310 nan 0.000 0.480 340 R N 0.429 120.936 120.500 0.013 0.000 2.280 340 R HA 0.176 4.516 4.340 -0.000 0.000 0.207 340 R C 1.329 177.633 176.300 0.007 0.000 1.043 340 R CA 0.702 56.810 56.100 0.013 0.000 1.006 340 R CB -0.171 30.136 30.300 0.012 0.000 0.885 340 R HN 0.421 nan 8.270 nan 0.000 0.467 341 M N -0.792 118.808 119.600 -0.000 0.000 2.453 341 M HA 0.201 4.681 4.480 -0.000 0.000 0.239 341 M C 0.597 176.881 176.300 -0.027 0.000 1.151 341 M CA 0.269 55.563 55.300 -0.010 0.000 0.989 341 M CB 1.367 33.960 32.600 -0.011 0.000 1.548 341 M HN 0.364 nan 8.290 nan 0.000 0.479 342 G N 0.629 109.415 108.800 -0.024 0.000 2.159 342 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.227 342 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.227 342 G C 0.164 174.967 174.900 -0.161 0.000 0.986 342 G CA -0.054 45.011 45.100 -0.058 0.000 0.651 342 G HN 0.646 nan 8.290 nan 0.000 0.523 343 A N 0.234 122.995 122.820 -0.098 0.000 2.332 343 A HA 0.652 4.972 4.320 -0.000 0.000 0.258 343 A C 0.012 177.600 177.584 0.007 0.000 1.087 343 A CA -0.100 51.862 52.037 -0.123 0.000 0.802 343 A CB 0.276 19.250 19.000 -0.044 0.000 1.042 343 A HN 0.514 nan 8.150 nan 0.000 0.489 344 H N 0.116 119.207 119.070 0.035 0.000 2.685 344 H HA 0.675 5.231 4.556 -0.000 0.000 0.307 344 H C -0.138 175.248 175.328 0.097 0.000 1.017 344 H CA 0.045 56.137 56.048 0.073 0.000 1.237 344 H CB 0.940 30.768 29.762 0.109 0.000 1.409 344 H HN 0.888 nan 8.280 nan 0.000 0.488 345 A N 2.732 125.653 122.820 0.170 0.000 2.572 345 A HA 0.700 5.020 4.320 -0.000 0.000 0.295 345 A C -1.022 176.580 177.584 0.030 0.000 1.072 345 A CA -0.835 51.235 52.037 0.055 0.000 0.691 345 A CB 1.880 20.849 19.000 -0.052 0.000 1.291 345 A HN 0.518 nan 8.150 nan 0.000 0.404 346 E N 0.313 120.507 120.200 -0.010 0.000 2.272 346 E HA 0.621 4.971 4.350 -0.000 0.000 0.269 346 E C -1.247 175.301 176.600 -0.087 0.000 0.877 346 E CA -0.224 56.165 56.400 -0.018 0.000 0.755 346 E CB 2.250 31.971 29.700 0.035 0.000 1.192 346 E HN 0.532 nan 8.360 nan 0.000 0.422 347 I N 2.207 122.725 120.570 -0.087 0.000 2.336 347 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 347 I C -0.290 175.810 176.117 -0.029 0.000 0.991 347 I CA -0.357 60.876 61.300 -0.112 0.000 1.227 347 I CB 1.181 39.124 38.000 -0.095 0.000 1.366 347 I HN 0.380 nan 8.210 nan 0.000 0.466 348 E N 5.244 125.435 120.200 -0.015 0.000 2.255 348 E HA 0.330 4.680 4.350 -0.000 0.000 0.245 348 E C 0.034 176.662 176.600 0.047 0.000 0.909 348 E CA -0.160 56.244 56.400 0.007 0.000 0.747 348 E CB 1.585 31.273 29.700 -0.019 0.000 1.215 348 E HN 0.735 nan 8.360 nan 0.000 0.424 349 S N 3.794 119.535 115.700 0.068 0.000 4.114 349 S HA -0.302 4.168 4.470 -0.000 0.000 0.618 349 S C 0.907 175.614 174.600 0.178 0.000 1.937 349 S CA 2.027 60.279 58.200 0.087 0.000 4.228 349 S CB -0.968 62.258 63.200 0.044 0.000 0.216 349 S HN 0.853 nan 8.310 nan 0.000 0.528 350 N N 1.909 120.701 118.700 0.153 0.000 2.313 350 N HA 0.231 4.971 4.740 -0.000 0.000 0.207 350 N C -0.292 175.456 175.510 0.396 0.000 1.141 350 N CA 0.718 53.903 53.050 0.225 0.000 0.830 350 N CB -0.206 38.330 38.487 0.082 0.000 1.008 350 N HN 0.475 nan 8.380 nan 0.000 0.481 351 T N 0.004 114.740 114.554 0.305 0.000 2.861 351 T HA 0.330 4.680 4.350 -0.000 0.000 0.287 351 T C -0.957 173.708 174.700 -0.059 0.000 1.003 351 T CA -0.674 61.533 62.100 0.179 0.000 0.977 351 T CB 2.588 71.459 68.868 0.005 0.000 0.996 351 T HN -0.026 nan 8.240 nan 0.000 0.448 352 V N 5.185 124.964 119.914 -0.225 0.000 2.394 352 V HA 0.510 4.630 4.120 -0.000 0.000 0.282 352 V C -0.757 175.252 176.094 -0.142 0.000 1.031 352 V CA -0.920 61.154 62.300 -0.377 0.000 0.881 352 V CB 0.440 31.866 31.823 -0.662 0.000 0.982 352 V HN 0.716 nan 8.190 nan 0.000 0.451 353 I N 7.000 127.488 120.570 -0.135 0.000 2.312 353 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 353 I C 0.155 176.100 176.117 -0.287 0.000 1.031 353 I CA 0.040 61.256 61.300 -0.140 0.000 1.293 353 I CB 0.660 38.605 38.000 -0.091 0.000 1.403 353 I HN 0.582 nan 8.210 nan 0.000 0.484 354 C N 6.312 125.420 119.300 -0.319 0.000 2.355 354 C HA 0.484 4.944 4.460 -0.000 0.000 0.332 354 C C 0.154 174.863 174.990 -0.469 0.000 1.255 354 C CA -0.592 58.246 59.018 -0.300 0.000 1.792 354 C CB 0.765 28.428 27.740 -0.129 0.000 2.300 354 C HN 0.618 nan 8.230 nan 0.000 0.515 355 H N 1.286 120.388 119.070 0.054 0.000 2.887 355 H HA 0.310 4.866 4.556 -0.000 0.000 0.300 355 H C 0.466 175.829 175.328 0.058 0.000 1.038 355 H CA -0.040 56.049 56.048 0.068 0.000 1.352 355 H CB 1.193 31.015 29.762 0.100 0.000 1.473 355 H HN 0.942 nan 8.280 nan 0.000 0.503 356 G N 2.095 110.949 108.800 0.090 0.000 2.353 356 G HA2 0.299 4.259 3.960 -0.000 0.000 0.239 356 G HA3 0.299 4.259 3.960 -0.000 0.000 0.239 356 G C 0.474 175.390 174.900 0.026 0.000 1.295 356 G CA -0.180 44.941 45.100 0.034 0.000 0.884 356 G HN 0.435 nan 8.290 nan 0.000 0.537 357 V N 0.371 120.261 119.914 -0.040 0.000 2.919 357 V HA 0.623 4.743 4.120 -0.000 0.000 0.316 357 V C 1.128 177.193 176.094 -0.049 0.000 1.077 357 V CA -0.605 61.653 62.300 -0.069 0.000 0.977 357 V CB 1.995 33.694 31.823 -0.207 0.000 1.039 357 V HN 0.692 nan 8.190 nan 0.000 0.441 358 E N 2.078 122.257 120.200 -0.035 0.000 2.051 358 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 358 E C 0.588 177.167 176.600 -0.034 0.000 0.991 358 E CA 2.000 58.385 56.400 -0.025 0.000 0.799 358 E CB 0.042 29.734 29.700 -0.014 0.000 0.748 358 E HN 0.874 nan 8.360 nan 0.000 0.449 359 K N -0.867 119.506 120.400 -0.044 0.000 2.527 359 K HA 0.410 4.730 4.320 -0.000 0.000 0.260 359 K C -0.944 175.623 176.600 -0.055 0.000 0.937 359 K CA -0.737 55.524 56.287 -0.043 0.000 0.826 359 K CB 1.361 33.843 32.500 -0.029 0.000 1.359 359 K HN -0.038 nan 8.250 nan 0.000 0.434 360 L N 1.114 122.307 121.223 -0.050 0.000 2.431 360 L HA 0.459 4.799 4.340 -0.000 0.000 0.260 360 L C -0.163 176.687 176.870 -0.034 0.000 1.098 360 L CA -1.002 53.808 54.840 -0.050 0.000 0.800 360 L CB 1.876 43.909 42.059 -0.044 0.000 1.210 360 L HN 0.731 nan 8.230 nan 0.000 0.465 361 S N -0.509 115.175 115.700 -0.028 0.000 2.482 361 S HA 0.509 4.979 4.470 -0.000 0.000 0.303 361 S C 0.101 174.694 174.600 -0.011 0.000 1.091 361 S CA -0.686 57.504 58.200 -0.017 0.000 1.057 361 S CB 1.785 64.978 63.200 -0.012 0.000 1.031 361 S HN 0.772 nan 8.310 nan 0.000 0.485 362 G N 1.154 109.949 108.800 -0.008 0.000 2.491 362 G HA2 0.510 4.470 3.960 -0.000 0.000 0.238 362 G HA3 0.510 4.470 3.960 -0.000 0.000 0.238 362 G C -0.264 174.637 174.900 0.001 0.000 1.277 362 G CA 0.143 45.241 45.100 -0.004 0.000 0.851 362 G HN 1.016 nan 8.290 nan 0.000 0.573 363 A N 1.365 124.188 122.820 0.005 0.000 2.586 363 A HA 0.665 4.985 4.320 -0.000 0.000 0.290 363 A C -0.629 176.962 177.584 0.012 0.000 1.086 363 A CA -0.729 51.312 52.037 0.008 0.000 0.665 363 A CB 0.998 20.002 19.000 0.007 0.000 1.279 363 A HN 0.629 nan 8.150 nan 0.000 0.423 364 Q N 0.530 120.338 119.800 0.013 0.000 2.322 364 Q HA 0.507 4.847 4.340 -0.000 0.000 0.256 364 Q C -0.266 175.743 176.000 0.016 0.000 0.960 364 Q CA -0.453 55.359 55.803 0.016 0.000 0.934 364 Q CB 1.392 30.138 28.738 0.015 0.000 1.200 364 Q HN 0.898 nan 8.270 nan 0.000 0.435 365 V N -0.187 119.737 119.914 0.018 0.000 3.141 365 V HA 0.785 4.905 4.120 -0.000 0.000 0.312 365 V C -0.757 175.347 176.094 0.017 0.000 1.157 365 V CA -1.087 61.224 62.300 0.018 0.000 1.041 365 V CB 2.592 34.427 31.823 0.020 0.000 1.071 365 V HN 0.748 nan 8.190 nan 0.000 0.441 366 M N 2.054 121.663 119.600 0.015 0.000 2.322 366 M HA 0.807 5.287 4.480 -0.000 0.000 0.285 366 M C -1.418 174.885 176.300 0.004 0.000 1.119 366 M CA -0.228 55.077 55.300 0.008 0.000 0.953 366 M CB 1.718 34.324 32.600 0.009 0.000 1.701 366 M HN 1.386 nan 8.290 nan 0.000 0.479 367 A N 2.386 125.198 122.820 -0.012 0.000 2.355 367 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 367 A C 0.505 178.022 177.584 -0.112 0.000 1.117 367 A CA -0.230 51.784 52.037 -0.039 0.000 0.785 367 A CB 0.833 19.811 19.000 -0.036 0.000 1.254 367 A HN 0.881 nan 8.150 nan 0.000 0.453 368 T N -1.890 112.557 114.554 -0.177 0.000 3.163 368 T HA 0.385 4.735 4.350 -0.000 0.000 0.252 368 T C -0.214 174.020 174.700 -0.777 0.000 1.056 368 T CA 0.485 62.393 62.100 -0.320 0.000 0.947 368 T CB -1.037 67.758 68.868 -0.121 0.000 1.016 368 T HN 0.840 nan 8.240 nan 0.000 0.554 369 D N -1.014 118.970 120.400 -0.694 0.000 2.623 369 D HA 0.379 5.019 4.640 -0.000 0.000 0.241 369 D C 0.781 176.906 176.300 -0.293 0.000 1.241 369 D CA -1.042 52.598 54.000 -0.601 0.000 0.788 369 D CB 0.795 41.412 40.800 -0.305 0.000 1.413 369 D HN -0.125 nan 8.370 nan 0.000 0.429 370 L N 0.974 122.130 121.223 -0.111 0.000 1.987 370 L HA -0.211 4.129 4.340 -0.000 0.000 0.230 370 L C 1.890 178.801 176.870 0.069 0.000 1.089 370 L CA 2.004 56.875 54.840 0.052 0.000 0.802 370 L CB -0.644 41.459 42.059 0.074 0.000 0.905 370 L HN 0.536 nan 8.230 nan 0.000 0.441 371 R N -0.156 120.359 120.500 0.024 0.000 2.148 371 R HA 0.082 4.422 4.340 -0.000 0.000 0.223 371 R C 2.173 178.451 176.300 -0.037 0.000 1.088 371 R CA 1.179 57.301 56.100 0.036 0.000 0.985 371 R CB -1.353 28.955 30.300 0.013 0.000 0.880 371 R HN 0.608 nan 8.270 nan 0.000 0.451 372 A N 0.437 123.215 122.820 -0.070 0.000 1.898 372 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 372 A C 2.399 179.961 177.584 -0.036 0.000 1.181 372 A CA 1.758 53.753 52.037 -0.069 0.000 0.620 372 A CB -0.546 18.447 19.000 -0.012 0.000 0.819 372 A HN 0.303 nan 8.150 nan 0.000 0.442 373 S N -0.366 115.312 115.700 -0.036 0.000 2.368 373 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 373 S C 2.204 176.786 174.600 -0.029 0.000 1.030 373 S CA 1.557 59.748 58.200 -0.015 0.000 0.999 373 S CB -0.472 62.731 63.200 0.006 0.000 0.844 373 S HN 0.799 nan 8.310 nan 0.000 0.459 374 A N 0.706 123.489 122.820 -0.062 0.000 1.933 374 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 374 A C 2.386 179.870 177.584 -0.167 0.000 1.175 374 A CA 2.121 54.038 52.037 -0.201 0.000 0.628 374 A CB -1.085 17.713 19.000 -0.337 0.000 0.814 374 A HN 0.570 nan 8.150 nan 0.000 0.444 375 S N -0.048 115.590 115.700 -0.104 0.000 2.382 375 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 375 S C 1.774 176.340 174.600 -0.057 0.000 1.027 375 S CA 1.435 59.584 58.200 -0.085 0.000 0.991 375 S CB -0.438 62.714 63.200 -0.080 0.000 0.823 375 S HN 0.529 nan 8.310 nan 0.000 0.469 376 L N 0.913 122.118 121.223 -0.030 0.000 2.141 376 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 376 L C 2.292 179.145 176.870 -0.029 0.000 1.094 376 L CA 0.717 55.551 54.840 -0.009 0.000 0.763 376 L CB -0.662 41.405 42.059 0.014 0.000 0.908 376 L HN 0.203 nan 8.230 nan 0.000 0.437 377 V N 0.179 120.061 119.914 -0.052 0.000 2.358 377 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 377 V C 2.422 178.445 176.094 -0.119 0.000 1.047 377 V CA 1.488 63.737 62.300 -0.085 0.000 1.035 377 V CB -0.295 31.445 31.823 -0.140 0.000 0.658 377 V HN 0.344 nan 8.190 nan 0.000 0.452 378 L N 0.021 121.162 121.223 -0.137 0.000 2.083 378 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 378 L C 2.741 179.560 176.870 -0.085 0.000 1.083 378 L CA 1.610 56.373 54.840 -0.127 0.000 0.752 378 L CB -0.857 41.117 42.059 -0.143 0.000 0.899 378 L HN 0.389 nan 8.230 nan 0.000 0.433 379 A N 0.436 123.218 122.820 -0.065 0.000 1.902 379 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 379 A C 2.410 179.970 177.584 -0.041 0.000 1.181 379 A CA 1.712 53.723 52.037 -0.044 0.000 0.623 379 A CB -1.205 17.780 19.000 -0.025 0.000 0.818 379 A HN 0.444 nan 8.150 nan 0.000 0.443 380 G N -0.940 107.835 108.800 -0.040 0.000 2.442 380 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 380 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 380 G C 1.533 176.407 174.900 -0.043 0.000 1.141 380 G CA 1.300 46.380 45.100 -0.034 0.000 0.763 380 G HN 0.529 nan 8.290 nan 0.000 0.554 381 C N 0.709 119.974 119.300 -0.059 0.000 2.422 381 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 381 C C 2.641 177.605 174.990 -0.043 0.000 1.305 381 C CA 0.925 59.909 59.018 -0.057 0.000 1.757 381 C CB -0.911 26.788 27.740 -0.068 0.000 1.962 381 C HN 0.668 nan 8.230 nan 0.000 0.499 382 I N -1.198 119.347 120.570 -0.042 0.000 3.968 382 I HA 0.374 4.544 4.170 -0.000 0.000 0.328 382 I C 1.072 177.170 176.117 -0.032 0.000 1.290 382 I CA -0.094 61.184 61.300 -0.036 0.000 1.163 382 I CB -0.406 37.570 38.000 -0.040 0.000 1.024 382 I HN 0.061 nan 8.210 nan 0.000 0.413 383 A N 1.734 124.536 122.820 -0.031 0.000 2.313 383 A HA 0.302 4.622 4.320 -0.000 0.000 0.261 383 A C -0.060 177.511 177.584 -0.021 0.000 1.090 383 A CA -0.160 51.861 52.037 -0.026 0.000 0.807 383 A CB 0.282 19.269 19.000 -0.023 0.000 1.055 383 A HN 0.407 nan 8.150 nan 0.000 0.492 384 E N 0.076 120.265 120.200 -0.018 0.000 2.180 384 E HA 0.478 4.828 4.350 -0.000 0.000 0.283 384 E C 0.717 177.311 176.600 -0.010 0.000 1.061 384 E CA 1.378 57.770 56.400 -0.014 0.000 0.861 384 E CB -0.039 29.653 29.700 -0.013 0.000 1.056 384 E HN 1.575 nan 8.360 nan 0.000 0.407 385 G N 3.243 112.038 108.800 -0.009 0.000 2.482 385 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 385 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 385 G C -0.569 174.328 174.900 -0.004 0.000 1.271 385 G CA -0.357 44.740 45.100 -0.005 0.000 0.944 385 G HN 0.620 nan 8.290 nan 0.000 0.568 386 T N 1.356 115.910 114.554 0.001 0.000 2.767 386 T HA 0.658 5.008 4.350 -0.000 0.000 0.288 386 T C -0.079 174.625 174.700 0.007 0.000 0.963 386 T CA 0.373 62.476 62.100 0.005 0.000 1.019 386 T CB 1.507 70.380 68.868 0.009 0.000 0.923 386 T HN 0.732 nan 8.240 nan 0.000 0.468 387 T N 2.714 117.274 114.554 0.010 0.000 2.841 387 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 387 T C -0.555 174.163 174.700 0.030 0.000 1.000 387 T CA -0.530 61.579 62.100 0.014 0.000 0.977 387 T CB 1.324 70.196 68.868 0.007 0.000 0.979 387 T HN 0.335 nan 8.240 nan 0.000 0.446 388 V N 3.855 123.788 119.914 0.033 0.000 2.407 388 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 388 V C -0.299 175.822 176.094 0.046 0.000 1.018 388 V CA -0.768 61.560 62.300 0.046 0.000 0.842 388 V CB 1.707 33.550 31.823 0.034 0.000 0.996 388 V HN 0.717 nan 8.190 nan 0.000 0.426 389 V N 4.067 124.024 119.914 0.071 0.000 2.350 389 V HA 0.352 4.472 4.120 -0.000 0.000 0.276 389 V C 0.054 176.164 176.094 0.027 0.000 1.028 389 V CA -0.354 61.982 62.300 0.059 0.000 0.860 389 V CB 1.479 33.362 31.823 0.101 0.000 0.990 389 V HN 0.857 nan 8.190 nan 0.000 0.453 390 D N 3.531 123.933 120.400 0.003 0.000 2.387 390 D HA 0.363 5.003 4.640 -0.000 0.000 0.251 390 D C 0.736 176.999 176.300 -0.062 0.000 1.141 390 D CA -0.365 53.622 54.000 -0.023 0.000 0.987 390 D CB 0.624 41.421 40.800 -0.005 0.000 1.116 390 D HN 0.484 nan 8.370 nan 0.000 0.491 391 R N 0.772 121.215 120.500 -0.096 0.000 3.336 391 R HA -0.167 4.173 4.340 -0.000 0.000 0.260 391 R C 1.114 177.186 176.300 -0.381 0.000 1.032 391 R CA 0.660 56.610 56.100 -0.251 0.000 0.693 391 R CB -2.180 27.995 30.300 -0.208 0.000 1.134 391 R HN 0.548 nan 8.270 nan 0.000 0.433 392 I N -2.470 117.939 120.570 -0.268 0.000 3.444 392 I HA -0.140 4.030 4.170 -0.000 0.000 0.287 392 I C 1.928 177.925 176.117 -0.200 0.000 1.302 392 I CA 0.459 61.618 61.300 -0.234 0.000 1.368 392 I CB -0.438 37.334 38.000 -0.381 0.000 1.048 392 I HN 0.274 nan 8.210 nan 0.000 0.487 393 Y N -0.013 120.203 120.300 -0.140 0.000 2.403 393 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 393 Y C 2.340 178.183 175.900 -0.096 0.000 1.143 393 Y CA 0.951 58.967 58.100 -0.140 0.000 1.257 393 Y CB -1.621 36.726 38.460 -0.188 0.000 0.984 393 Y HN 0.181 nan 8.280 nan 0.000 0.550 394 H N 0.757 119.656 119.070 -0.285 0.000 2.387 394 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 394 H C 2.222 177.576 175.328 0.043 0.000 1.090 394 H CA 1.911 57.905 56.048 -0.090 0.000 1.332 394 H CB -0.131 29.508 29.762 -0.204 0.000 1.386 394 H HN 0.474 nan 8.280 nan 0.000 0.516 395 I N 0.783 121.452 120.570 0.164 0.000 2.315 395 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 395 I C 1.742 178.032 176.117 0.288 0.000 1.117 395 I CA 1.019 62.464 61.300 0.241 0.000 1.404 395 I CB -0.156 37.959 38.000 0.191 0.000 1.071 395 I HN 0.053 nan 8.210 nan 0.000 0.419 396 D N 0.944 121.463 120.400 0.198 0.000 2.263 396 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 396 D C 2.197 178.589 176.300 0.154 0.000 0.971 396 D CA 0.846 54.952 54.000 0.176 0.000 0.867 396 D CB -0.204 40.671 40.800 0.126 0.000 0.929 396 D HN 0.364 nan 8.370 nan 0.000 0.492 397 R N -0.277 120.316 120.500 0.156 0.000 2.148 397 R HA 0.019 4.359 4.340 -0.000 0.000 0.227 397 R C 1.908 178.251 176.300 0.072 0.000 1.103 397 R CA 1.209 57.377 56.100 0.113 0.000 0.983 397 R CB 0.043 30.417 30.300 0.124 0.000 0.874 397 R HN 0.140 nan 8.270 nan 0.000 0.451 398 G N -1.539 107.304 108.800 0.072 0.000 3.146 398 G HA2 0.094 4.054 3.960 -0.000 0.000 0.238 398 G HA3 0.094 4.054 3.960 -0.000 0.000 0.238 398 G C -0.456 174.267 174.900 -0.295 0.000 1.022 398 G CA -0.240 44.791 45.100 -0.114 0.000 0.880 398 G HN 0.051 nan 8.290 nan 0.000 0.533 399 Y N 0.700 121.048 120.300 0.080 0.000 2.350 399 Y HA 0.482 5.032 4.550 -0.000 0.000 0.338 399 Y C -0.100 175.866 175.900 0.109 0.000 0.961 399 Y CA -1.266 56.893 58.100 0.099 0.000 1.100 399 Y CB 1.871 40.390 38.460 0.098 0.000 1.179 399 Y HN 0.012 nan 8.280 nan 0.000 0.454 400 E N 4.349 124.687 120.200 0.230 0.000 2.130 400 E HA 0.290 4.640 4.350 -0.000 0.000 0.284 400 E C -0.298 176.419 176.600 0.194 0.000 1.018 400 E CA -0.467 56.035 56.400 0.170 0.000 0.817 400 E CB 0.357 30.122 29.700 0.108 0.000 1.078 400 E HN 0.698 nan 8.360 nan 0.000 0.396 401 R N 3.776 124.380 120.500 0.175 0.000 3.264 401 R HA -0.224 4.116 4.340 -0.000 0.000 0.251 401 R C 1.038 177.445 176.300 0.178 0.000 0.971 401 R CA 0.518 56.711 56.100 0.155 0.000 0.658 401 R CB -1.902 28.459 30.300 0.101 0.000 1.095 401 R HN 0.791 nan 8.270 nan 0.000 0.443 402 I N 0.420 121.122 120.570 0.220 0.000 2.361 402 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 402 I C 2.418 178.566 176.117 0.053 0.000 1.133 402 I CA 1.800 63.213 61.300 0.189 0.000 1.413 402 I CB -0.033 37.981 38.000 0.024 0.000 1.073 402 I HN 0.454 nan 8.210 nan 0.000 0.424 403 E N 0.735 120.946 120.200 0.018 0.000 2.031 403 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 403 E C 1.638 178.225 176.600 -0.022 0.000 0.994 403 E CA 1.865 58.211 56.400 -0.091 0.000 0.800 403 E CB -0.001 29.741 29.700 0.070 0.000 0.752 403 E HN 0.491 nan 8.360 nan 0.000 0.447 404 D N 0.371 120.791 120.400 0.032 0.000 2.117 404 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 404 D C 1.867 178.164 176.300 -0.004 0.000 0.987 404 D CA 1.042 55.052 54.000 0.016 0.000 0.829 404 D CB -0.087 40.730 40.800 0.027 0.000 0.961 404 D HN 0.196 nan 8.370 nan 0.000 0.460 405 K N 0.189 120.596 120.400 0.013 0.000 2.057 405 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 405 K C 2.324 178.913 176.600 -0.019 0.000 1.050 405 K CA 0.476 56.729 56.287 -0.057 0.000 0.935 405 K CB -0.059 32.379 32.500 -0.103 0.000 0.715 405 K HN 0.125 nan 8.250 nan 0.000 0.439 406 L N 0.552 121.822 121.223 0.078 0.000 2.093 406 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 406 L C 2.706 179.569 176.870 -0.012 0.000 1.085 406 L CA 0.964 55.842 54.840 0.064 0.000 0.755 406 L CB -0.299 41.752 42.059 -0.013 0.000 0.904 406 L HN 0.172 nan 8.230 nan 0.000 0.435 407 R N 0.470 120.950 120.500 -0.033 0.000 2.096 407 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 407 R C 2.206 178.487 176.300 -0.031 0.000 1.127 407 R CA 1.435 57.514 56.100 -0.035 0.000 0.968 407 R CB -0.214 30.069 30.300 -0.029 0.000 0.861 407 R HN 0.332 nan 8.270 nan 0.000 0.440 408 A N 0.354 123.151 122.820 -0.038 0.000 2.121 408 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 408 A C 1.811 179.366 177.584 -0.049 0.000 1.154 408 A CA 0.809 52.818 52.037 -0.047 0.000 0.679 408 A CB -0.156 18.805 19.000 -0.065 0.000 0.795 408 A HN 0.353 nan 8.150 nan 0.000 0.458 409 L N -1.909 119.290 121.223 -0.040 0.000 2.607 409 L HA 0.272 4.612 4.340 -0.000 0.000 0.228 409 L C 1.547 178.405 176.870 -0.021 0.000 1.123 409 L CA 0.582 55.405 54.840 -0.029 0.000 0.890 409 L CB 0.209 42.267 42.059 -0.003 0.000 1.103 409 L HN 0.533 nan 8.230 nan 0.000 0.468 410 G N -0.200 108.586 108.800 -0.024 0.000 2.184 410 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.206 410 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.206 410 G C 0.356 175.241 174.900 -0.026 0.000 0.995 410 G CA -0.165 44.921 45.100 -0.023 0.000 0.651 410 G HN 0.394 nan 8.290 nan 0.000 0.511 411 A N 0.038 122.840 122.820 -0.031 0.000 2.407 411 A HA 0.593 4.913 4.320 -0.000 0.000 0.248 411 A C 0.460 178.018 177.584 -0.044 0.000 1.082 411 A CA 0.249 52.260 52.037 -0.043 0.000 0.785 411 A CB 0.402 19.364 19.000 -0.063 0.000 1.020 411 A HN 0.541 nan 8.150 nan 0.000 0.489 412 N N 1.528 120.203 118.700 -0.042 0.000 2.589 412 N HA 0.411 5.151 4.740 -0.000 0.000 0.232 412 N C -1.352 174.133 175.510 -0.041 0.000 1.015 412 N CA -0.071 52.960 53.050 -0.032 0.000 0.931 412 N CB 0.377 38.851 38.487 -0.021 0.000 1.150 412 N HN 0.651 nan 8.380 nan 0.000 0.512 413 I N 1.048 121.589 120.570 -0.050 0.000 2.686 413 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 413 I C -1.292 174.825 176.117 -0.000 0.000 1.114 413 I CA -0.663 60.597 61.300 -0.067 0.000 1.038 413 I CB 2.173 40.051 38.000 -0.204 0.000 1.238 413 I HN 0.389 nan 8.210 nan 0.000 0.420 414 E N 6.617 126.865 120.200 0.080 0.000 2.308 414 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 414 E C -1.463 175.312 176.600 0.291 0.000 0.890 414 E CA -0.951 55.534 56.400 0.142 0.000 0.754 414 E CB 1.961 31.713 29.700 0.087 0.000 1.207 414 E HN 0.624 nan 8.360 nan 0.000 0.426 415 R N 3.596 124.264 120.500 0.280 0.000 2.202 415 R HA 0.288 4.628 4.340 -0.000 0.000 0.334 415 R C -0.621 175.718 176.300 0.064 0.000 1.036 415 R CA -0.468 55.743 56.100 0.186 0.000 0.878 415 R CB 0.702 31.077 30.300 0.124 0.000 1.067 415 R HN 0.355 nan 8.270 nan 0.000 0.457 416 V N 1.720 121.649 119.914 0.025 0.000 2.394 416 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 416 V C -0.559 175.524 176.094 -0.018 0.000 1.031 416 V CA -0.766 61.541 62.300 0.013 0.000 0.881 416 V CB 1.334 33.171 31.823 0.024 0.000 0.982 416 V HN 0.681 nan 8.190 nan 0.000 0.451 417 K N 3.578 123.972 120.400 -0.010 0.000 2.207 417 K HA 0.720 5.040 4.320 -0.000 0.000 0.255 417 K C 0.436 177.031 176.600 -0.008 0.000 0.941 417 K CA -0.332 55.946 56.287 -0.016 0.000 0.825 417 K CB 1.863 34.354 32.500 -0.014 0.000 1.119 417 K HN 1.543 nan 8.250 nan 0.000 0.430 418 G N 3.676 112.470 108.800 -0.010 0.000 2.487 418 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.243 418 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.243 418 G C -0.288 174.611 174.900 -0.001 0.000 0.918 418 G CA 0.251 45.349 45.100 -0.005 0.000 1.260 418 G HN 0.693 nan 8.290 nan 0.000 0.408 419 E N 0.000 120.200 120.200 -0.000 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.402 56.400 0.003 0.000 0.976 419 E CB 0.000 29.702 29.700 0.004 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440