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 3ofn_1_M DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.705 174.700 0.009 0.000 1.109 7 T CA 0.000 62.104 62.100 0.006 0.000 1.349 7 T CB 0.000 68.869 68.868 0.002 0.000 0.612 8 P HA 0.533 nan 4.420 nan 0.000 0.271 8 P C -0.536 176.783 177.300 0.031 0.000 1.220 8 P CA -0.428 62.683 63.100 0.020 0.000 0.768 8 P CB 0.327 32.039 31.700 0.021 0.000 0.848 9 I N 1.542 122.133 120.570 0.035 0.000 2.371 9 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 9 I C 0.832 177.026 176.117 0.129 0.000 1.028 9 I CA 0.198 61.531 61.300 0.054 0.000 1.345 9 I CB 1.133 39.133 38.000 0.001 0.000 1.407 9 I HN 0.271 nan 8.210 nan 0.000 0.501 10 T N 4.052 118.714 114.554 0.179 0.000 2.886 10 T HA 0.863 5.213 4.350 -0.000 0.000 0.292 10 T C -0.380 174.428 174.700 0.179 0.000 1.012 10 T CA -0.455 61.753 62.100 0.179 0.000 0.982 10 T CB 1.203 70.117 68.868 0.077 0.000 1.018 10 T HN 0.857 nan 8.240 nan 0.000 0.451 11 G N 2.546 111.313 108.800 -0.054 0.000 2.766 11 G HA2 0.689 4.649 3.960 -0.000 0.000 0.288 11 G HA3 0.689 4.649 3.960 -0.000 0.000 0.288 11 G C -1.669 173.012 174.900 -0.365 0.000 1.408 11 G CA -0.799 43.971 45.100 -0.549 0.000 0.852 11 G HN 0.736 nan 8.290 nan 0.000 0.487 12 K N -0.169 120.016 120.400 -0.358 0.000 2.259 12 K HA 0.534 4.854 4.320 -0.000 0.000 0.249 12 K C -0.741 175.753 176.600 -0.176 0.000 0.942 12 K CA -0.754 55.420 56.287 -0.188 0.000 0.816 12 K CB 2.857 35.293 32.500 -0.107 0.000 1.155 12 K HN 0.217 nan 8.250 nan 0.000 0.428 13 V N 2.665 122.511 119.914 -0.112 0.000 2.479 13 V HA -0.016 4.104 4.120 -0.000 0.000 0.281 13 V C 1.349 177.404 176.094 -0.065 0.000 1.031 13 V CA 0.506 62.759 62.300 -0.077 0.000 1.038 13 V CB 0.657 32.451 31.823 -0.049 0.000 0.981 13 V HN 1.044 nan 8.190 nan 0.000 0.478 14 T N 1.001 115.523 114.554 -0.053 0.000 2.985 14 T HA 0.608 4.958 4.350 -0.000 0.000 0.254 14 T C 0.295 174.975 174.700 -0.034 0.000 1.021 14 T CA 0.445 62.514 62.100 -0.050 0.000 0.957 14 T CB 0.565 69.402 68.868 -0.052 0.000 1.047 14 T HN 1.025 nan 8.240 nan 0.000 0.511 15 A N 0.484 123.290 122.820 -0.023 0.000 2.555 15 A HA 0.663 4.983 4.320 -0.000 0.000 0.297 15 A C -1.594 175.985 177.584 -0.009 0.000 1.060 15 A CA -0.686 51.343 52.037 -0.014 0.000 0.710 15 A CB 1.700 20.696 19.000 -0.007 0.000 1.282 15 A HN 0.312 nan 8.150 nan 0.000 0.399 16 V N 2.597 122.507 119.914 -0.008 0.000 2.447 16 V HA 0.516 4.636 4.120 -0.000 0.000 0.292 16 V C -0.892 175.200 176.094 -0.002 0.000 1.021 16 V CA -0.040 62.258 62.300 -0.004 0.000 0.850 16 V CB 1.119 32.938 31.823 -0.005 0.000 1.005 16 V HN 0.678 nan 8.190 nan 0.000 0.426 17 I N 4.537 125.107 120.570 0.001 0.000 2.623 17 I HA 0.667 4.837 4.170 -0.000 0.000 0.275 17 I C 1.010 177.128 176.117 0.002 0.000 1.108 17 I CA 0.012 61.312 61.300 0.001 0.000 1.120 17 I CB 1.139 39.140 38.000 0.001 0.000 1.249 17 I HN 0.798 nan 8.210 nan 0.000 0.500 18 G N 4.033 112.834 108.800 0.001 0.000 2.591 18 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.298 18 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.298 18 G C 0.964 175.867 174.900 0.004 0.000 1.195 18 G CA 0.532 45.633 45.100 0.001 0.000 0.989 18 G HN 0.819 nan 8.290 nan 0.000 0.551 19 A N -0.544 122.279 122.820 0.004 0.000 2.209 19 A HA 0.454 4.774 4.320 -0.000 0.000 0.212 19 A C 1.091 178.682 177.584 0.012 0.000 1.158 19 A CA 1.268 53.309 52.037 0.008 0.000 0.742 19 A CB -0.157 18.846 19.000 0.006 0.000 0.790 19 A HN 0.655 nan 8.150 nan 0.000 0.472 20 I N 1.319 121.896 120.570 0.010 0.000 2.312 20 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 20 I C -0.715 175.410 176.117 0.014 0.000 1.008 20 I CA -0.480 60.829 61.300 0.014 0.000 1.226 20 I CB 1.074 39.082 38.000 0.013 0.000 1.371 20 I HN -0.146 nan 8.210 nan 0.000 0.468 21 V N 5.547 125.473 119.914 0.020 0.000 2.448 21 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 21 V C -0.342 175.765 176.094 0.022 0.000 1.025 21 V CA -0.835 61.474 62.300 0.016 0.000 0.859 21 V CB 2.258 34.090 31.823 0.015 0.000 0.988 21 V HN 0.537 nan 8.190 nan 0.000 0.431 22 D N 3.310 123.718 120.400 0.014 0.000 2.232 22 D HA 0.540 5.180 4.640 -0.000 0.000 0.242 22 D C -0.542 175.758 176.300 0.001 0.000 1.093 22 D CA 0.007 54.020 54.000 0.020 0.000 0.845 22 D CB 2.220 43.031 40.800 0.019 0.000 1.124 22 D HN 0.276 nan 8.370 nan 0.000 0.467 23 V N 2.951 122.870 119.914 0.007 0.000 2.540 23 V HA 0.198 4.318 4.120 -0.000 0.000 0.302 23 V C 0.009 176.021 176.094 -0.136 0.000 1.035 23 V CA -0.868 61.375 62.300 -0.096 0.000 0.873 23 V CB 2.100 33.868 31.823 -0.093 0.000 0.992 23 V HN 0.554 nan 8.190 nan 0.000 0.428 24 H N 3.494 122.339 119.070 -0.374 0.000 2.502 24 H HA 0.703 5.259 4.556 -0.000 0.000 0.338 24 H C -1.605 173.375 175.328 -0.580 0.000 1.155 24 H CA -0.238 55.641 56.048 -0.282 0.000 1.237 24 H CB 1.783 31.444 29.762 -0.168 0.000 1.534 24 H HN 0.510 nan 8.280 nan 0.000 0.523 25 F N 0.313 119.868 119.950 -0.658 0.000 2.980 25 F HA 0.230 4.757 4.527 -0.000 0.000 0.335 25 F C 0.021 175.577 175.800 -0.406 0.000 1.210 25 F CA -0.824 56.954 58.000 -0.370 0.000 0.986 25 F CB 0.798 39.651 39.000 -0.244 0.000 1.469 25 F HN 0.439 nan 8.300 nan 0.000 0.519 26 E N -0.278 119.956 120.200 0.057 0.000 2.518 26 E HA 0.242 4.592 4.350 -0.000 0.000 0.248 26 E C -1.099 175.497 176.600 -0.007 0.000 1.028 26 E CA -0.621 55.787 56.400 0.013 0.000 0.922 26 E CB 0.361 30.089 29.700 0.047 0.000 1.299 26 E HN 0.400 nan 8.360 nan 0.000 0.457 27 Q N 0.750 120.552 119.800 0.003 0.000 2.457 27 Q HA -0.041 4.299 4.340 -0.000 0.000 0.285 27 Q C -0.152 175.839 176.000 -0.015 0.000 1.275 27 Q CA 0.707 56.509 55.803 -0.003 0.000 0.992 27 Q CB -1.008 27.734 28.738 0.006 0.000 1.334 27 Q HN 0.644 nan 8.270 nan 0.000 0.460 28 S N 0.616 116.300 115.700 -0.028 0.000 3.225 28 S HA -0.352 4.118 4.470 -0.000 0.000 0.308 28 S C 0.656 175.216 174.600 -0.066 0.000 1.270 28 S CA 1.688 59.864 58.200 -0.039 0.000 1.011 28 S CB -1.941 61.248 63.200 -0.018 0.000 1.138 28 S HN 0.981 nan 8.310 nan 0.000 0.661 29 E N 0.738 120.897 120.200 -0.069 0.000 2.428 29 E HA 0.274 4.624 4.350 -0.000 0.000 0.199 29 E C 0.263 176.702 176.600 -0.268 0.000 1.172 29 E CA -0.211 56.127 56.400 -0.104 0.000 0.941 29 E CB -0.382 29.296 29.700 -0.036 0.000 1.001 29 E HN 0.787 nan 8.360 nan 0.000 0.501 30 L N 2.678 123.732 121.223 -0.281 0.000 2.367 30 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 30 L C -1.693 174.950 176.870 -0.379 0.000 1.129 30 L CA -2.036 52.519 54.840 -0.475 0.000 0.839 30 L CB 0.294 42.140 42.059 -0.354 0.000 1.133 30 L HN 0.154 nan 8.230 nan 0.000 0.453 31 P HA 0.188 nan 4.420 nan 0.000 0.274 31 P C -0.722 176.572 177.300 -0.010 0.000 1.231 31 P CA -0.504 62.440 63.100 -0.261 0.000 0.790 31 P CB 1.038 32.546 31.700 -0.319 0.000 0.951 32 A N 2.711 125.526 122.820 -0.008 0.000 2.296 32 A HA 0.371 4.691 4.320 -0.000 0.000 0.264 32 A C 0.686 178.269 177.584 -0.001 0.000 1.097 32 A CA -0.710 51.328 52.037 0.001 0.000 0.811 32 A CB -0.349 18.618 19.000 -0.056 0.000 1.072 32 A HN 0.528 nan 8.150 nan 0.000 0.495 33 I N 0.328 120.852 120.570 -0.077 0.000 2.754 33 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 33 I C 0.504 176.553 176.117 -0.114 0.000 1.166 33 I CA 0.456 61.710 61.300 -0.076 0.000 1.417 33 I CB 0.182 38.113 38.000 -0.114 0.000 1.382 33 I HN 0.688 nan 8.210 nan 0.000 0.588 34 L N 1.471 122.614 121.223 -0.133 0.000 5.044 34 L HA -0.239 4.101 4.340 -0.000 0.000 0.412 34 L C 0.078 176.878 176.870 -0.117 0.000 0.971 34 L CA 0.104 54.801 54.840 -0.239 0.000 1.411 34 L CB -1.888 39.881 42.059 -0.484 0.000 1.884 34 L HN 0.709 nan 8.230 nan 0.000 0.631 35 N N 1.368 120.033 118.700 -0.057 0.000 2.513 35 N HA 0.491 5.231 4.740 -0.000 0.000 0.268 35 N C 0.281 175.795 175.510 0.007 0.000 1.180 35 N CA 0.907 53.942 53.050 -0.025 0.000 0.948 35 N CB 1.078 39.545 38.487 -0.034 0.000 1.083 35 N HN 0.310 nan 8.380 nan 0.000 0.455 36 A N 3.166 125.998 122.820 0.020 0.000 2.328 36 A HA 0.533 4.853 4.320 -0.000 0.000 0.284 36 A C -0.210 177.399 177.584 0.041 0.000 1.160 36 A CA -0.474 51.586 52.037 0.038 0.000 0.818 36 A CB 0.076 19.100 19.000 0.041 0.000 1.087 36 A HN 0.644 nan 8.150 nan 0.000 0.504 37 L N 1.516 122.774 121.223 0.058 0.000 2.313 37 L HA 0.639 4.979 4.340 -0.000 0.000 0.268 37 L C 0.133 177.040 176.870 0.061 0.000 1.010 37 L CA -0.565 54.323 54.840 0.079 0.000 0.814 37 L CB 1.755 43.889 42.059 0.126 0.000 1.304 37 L HN 0.725 nan 8.230 nan 0.000 0.441 38 E N 1.441 121.677 120.200 0.060 0.000 2.256 38 E HA 0.544 4.894 4.350 -0.000 0.000 0.268 38 E C -1.423 175.198 176.600 0.035 0.000 0.877 38 E CA -0.517 55.907 56.400 0.041 0.000 0.757 38 E CB 3.045 32.764 29.700 0.033 0.000 1.183 38 E HN 0.384 nan 8.360 nan 0.000 0.418 39 I N 3.235 123.819 120.570 0.025 0.000 2.382 39 I HA 0.195 4.365 4.170 -0.000 0.000 0.286 39 I C -0.354 175.771 176.117 0.012 0.000 1.002 39 I CA -0.883 60.426 61.300 0.015 0.000 1.135 39 I CB 1.299 39.305 38.000 0.009 0.000 1.288 39 I HN 0.248 nan 8.210 nan 0.000 0.448 40 K N 6.017 126.423 120.400 0.010 0.000 2.383 40 K HA 0.318 4.638 4.320 -0.000 0.000 0.286 40 K C -0.147 176.456 176.600 0.005 0.000 1.051 40 K CA -0.032 56.260 56.287 0.008 0.000 0.974 40 K CB 0.665 33.169 32.500 0.008 0.000 0.968 40 K HN 0.685 nan 8.250 nan 0.000 0.475 41 T N 1.382 115.939 114.554 0.005 0.000 2.940 41 T HA 0.450 4.800 4.350 -0.000 0.000 0.288 41 T C -1.792 172.910 174.700 0.003 0.000 1.045 41 T CA -1.979 60.123 62.100 0.004 0.000 1.018 41 T CB 1.305 70.176 68.868 0.004 0.000 1.151 41 T HN 0.366 nan 8.240 nan 0.000 0.529 42 P HA -0.102 nan 4.420 nan 0.000 0.216 42 P C 1.575 178.877 177.300 0.003 0.000 1.150 42 P CA 1.014 64.115 63.100 0.002 0.000 0.837 42 P CB 0.167 31.868 31.700 0.001 0.000 0.786 43 Q N -0.938 118.864 119.800 0.003 0.000 2.033 43 Q HA 0.065 4.405 4.340 -0.000 0.000 0.196 43 Q C 1.237 177.240 176.000 0.005 0.000 0.970 43 Q CA 1.761 57.566 55.803 0.004 0.000 0.828 43 Q CB -0.165 28.576 28.738 0.004 0.000 0.895 43 Q HN 0.227 nan 8.270 nan 0.000 0.440 44 G N 0.083 108.886 108.800 0.005 0.000 3.454 44 G HA2 0.235 4.195 3.960 -0.000 0.000 0.162 44 G HA3 0.235 4.195 3.960 -0.000 0.000 0.162 44 G C -1.371 173.534 174.900 0.007 0.000 1.223 44 G CA -0.161 44.942 45.100 0.006 0.000 1.394 44 G HN 0.249 nan 8.290 nan 0.000 0.709 45 K N -0.309 120.096 120.400 0.009 0.000 2.468 45 K HA 0.741 5.061 4.320 -0.000 0.000 0.252 45 K C -1.810 174.798 176.600 0.013 0.000 0.932 45 K CA -0.821 55.472 56.287 0.011 0.000 0.794 45 K CB 2.801 35.308 32.500 0.012 0.000 1.241 45 K HN 0.489 nan 8.250 nan 0.000 0.428 46 L N 2.954 124.186 121.223 0.014 0.000 2.275 46 L HA 0.392 4.731 4.340 -0.000 0.000 0.288 46 L C -1.243 175.640 176.870 0.023 0.000 1.046 46 L CA -0.415 54.435 54.840 0.017 0.000 0.805 46 L CB 1.681 43.749 42.059 0.014 0.000 1.193 46 L HN 0.585 nan 8.230 nan 0.000 0.426 47 V N 6.713 126.643 119.914 0.026 0.000 2.439 47 V HA 0.411 4.531 4.120 -0.000 0.000 0.282 47 V C -0.006 176.110 176.094 0.038 0.000 1.039 47 V CA -0.487 61.832 62.300 0.032 0.000 0.913 47 V CB 1.438 33.280 31.823 0.032 0.000 0.983 47 V HN 0.603 nan 8.190 nan 0.000 0.460 48 L N 4.668 125.918 121.223 0.046 0.000 2.325 48 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 48 L C 0.033 176.937 176.870 0.057 0.000 1.004 48 L CA -0.395 54.476 54.840 0.051 0.000 0.823 48 L CB 1.817 43.910 42.059 0.057 0.000 1.236 48 L HN 0.629 nan 8.230 nan 0.000 0.415 49 E N 2.570 122.804 120.200 0.056 0.000 2.200 49 E HA 0.293 4.643 4.350 -0.000 0.000 0.283 49 E C -0.927 175.702 176.600 0.048 0.000 1.015 49 E CA -0.720 55.713 56.400 0.054 0.000 0.819 49 E CB 1.748 31.491 29.700 0.071 0.000 1.081 49 E HN 0.335 nan 8.360 nan 0.000 0.397 50 V N 4.641 124.580 119.914 0.042 0.000 2.479 50 V HA 0.078 4.198 4.120 -0.000 0.000 0.281 50 V C 0.897 177.012 176.094 0.036 0.000 1.031 50 V CA 0.842 63.176 62.300 0.056 0.000 1.038 50 V CB 0.722 32.584 31.823 0.065 0.000 0.981 50 V HN 0.894 nan 8.190 nan 0.000 0.478 51 A N 4.638 127.489 122.820 0.051 0.000 1.993 51 A HA 0.315 4.635 4.320 -0.000 0.000 0.207 51 A C 0.763 178.372 177.584 0.043 0.000 1.224 51 A CA 0.332 52.388 52.037 0.032 0.000 0.749 51 A CB 0.324 19.343 19.000 0.031 0.000 0.884 51 A HN 0.746 nan 8.150 nan 0.000 0.467 52 Q N -1.276 118.580 119.800 0.094 0.000 2.462 52 Q HA 0.384 4.724 4.340 -0.000 0.000 0.285 52 Q C -1.669 174.489 176.000 0.263 0.000 1.035 52 Q CA -0.566 55.308 55.803 0.118 0.000 0.799 52 Q CB 1.938 30.722 28.738 0.076 0.000 1.452 52 Q HN 0.623 nan 8.270 nan 0.000 0.404 53 H N 2.005 121.081 119.070 0.009 0.000 2.581 53 H HA 0.272 4.828 4.556 -0.000 0.000 0.308 53 H C 0.345 175.686 175.328 0.022 0.000 1.040 53 H CA -0.283 55.775 56.048 0.017 0.000 1.231 53 H CB 1.012 30.775 29.762 0.001 0.000 1.396 53 H HN 0.416 nan 8.280 nan 0.000 0.467 54 L N 2.796 124.088 121.223 0.116 0.000 2.599 54 L HA 0.188 4.528 4.340 -0.000 0.000 0.230 54 L C 1.075 177.986 176.870 0.068 0.000 1.141 54 L CA 0.212 55.100 54.840 0.079 0.000 0.877 54 L CB -0.241 41.855 42.059 0.061 0.000 1.009 54 L HN 0.858 nan 8.230 nan 0.000 0.447 55 G N 0.461 109.307 108.800 0.076 0.000 2.663 55 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 55 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 55 G C -0.021 174.913 174.900 0.057 0.000 1.246 55 G CA -0.594 44.542 45.100 0.061 0.000 0.795 55 G HN 0.349 nan 8.290 nan 0.000 0.627 56 E N 0.423 120.655 120.200 0.054 0.000 2.228 56 E HA -0.262 4.088 4.350 -0.000 0.000 0.213 56 E C 0.941 177.595 176.600 0.090 0.000 1.282 56 E CA 0.772 57.216 56.400 0.073 0.000 0.707 56 E CB -1.011 28.738 29.700 0.080 0.000 1.150 56 E HN 0.981 nan 8.360 nan 0.000 0.362 57 N N -1.583 117.121 118.700 0.008 0.000 2.741 57 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 57 N C -0.662 174.790 175.510 -0.098 0.000 1.112 57 N CA 1.774 54.763 53.050 -0.102 0.000 0.750 57 N CB -0.919 37.438 38.487 -0.217 0.000 1.119 57 N HN 0.241 nan 8.380 nan 0.000 0.561 58 T N 0.650 115.218 114.554 0.024 0.000 2.771 58 T HA 0.510 4.860 4.350 -0.000 0.000 0.281 58 T C 0.618 175.326 174.700 0.013 0.000 0.982 58 T CA -0.661 61.479 62.100 0.067 0.000 0.978 58 T CB 2.419 71.355 68.868 0.113 0.000 0.930 58 T HN 0.138 nan 8.240 nan 0.000 0.447 59 V N 2.179 122.127 119.914 0.056 0.000 2.617 59 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 59 V C 0.070 176.219 176.094 0.091 0.000 1.048 59 V CA -1.238 61.093 62.300 0.051 0.000 0.964 59 V CB 1.246 33.112 31.823 0.071 0.000 1.004 59 V HN 0.831 nan 8.190 nan 0.000 0.466 60 R N 2.477 123.033 120.500 0.092 0.000 2.312 60 R HA 0.672 5.012 4.340 -0.000 0.000 0.311 60 R C -0.178 176.166 176.300 0.073 0.000 1.004 60 R CA 0.207 56.350 56.100 0.072 0.000 0.902 60 R CB 1.389 31.724 30.300 0.059 0.000 1.073 60 R HN 1.138 nan 8.270 nan 0.000 0.457 61 T N 1.927 116.518 114.554 0.061 0.000 2.893 61 T HA 0.467 4.817 4.350 -0.000 0.000 0.291 61 T C 0.125 174.850 174.700 0.043 0.000 1.028 61 T CA -0.858 61.277 62.100 0.058 0.000 0.995 61 T CB 1.047 69.956 68.868 0.068 0.000 1.051 61 T HN 0.440 nan 8.240 nan 0.000 0.470 62 I N 2.487 123.082 120.570 0.041 0.000 2.395 62 I HA 0.524 4.693 4.170 -0.000 0.000 0.289 62 I C 0.909 177.048 176.117 0.036 0.000 1.023 62 I CA -0.894 60.427 61.300 0.035 0.000 1.350 62 I CB 1.182 39.203 38.000 0.036 0.000 1.409 62 I HN 0.917 nan 8.210 nan 0.000 0.507 63 A N 7.157 129.994 122.820 0.029 0.000 2.327 63 A HA 0.494 4.814 4.320 -0.000 0.000 0.283 63 A C 0.660 178.261 177.584 0.028 0.000 1.127 63 A CA -0.493 51.561 52.037 0.028 0.000 0.810 63 A CB 0.711 19.724 19.000 0.021 0.000 1.066 63 A HN 0.767 nan 8.150 nan 0.000 0.492 64 M N 0.682 120.300 119.600 0.030 0.000 2.428 64 M HA 0.183 4.663 4.480 -0.000 0.000 0.239 64 M C -0.175 176.139 176.300 0.025 0.000 1.121 64 M CA 0.590 55.909 55.300 0.030 0.000 1.019 64 M CB -0.942 31.678 32.600 0.034 0.000 1.485 64 M HN 0.831 nan 8.290 nan 0.000 0.484 65 D N -0.981 119.431 120.400 0.021 0.000 2.895 65 D HA 0.517 5.157 4.640 -0.000 0.000 0.320 65 D C -0.386 175.922 176.300 0.013 0.000 1.249 65 D CA -0.212 53.797 54.000 0.017 0.000 0.997 65 D CB 0.923 41.732 40.800 0.016 0.000 1.430 65 D HN 0.088 nan 8.370 nan 0.000 0.558 66 G N -1.049 107.757 108.800 0.010 0.000 2.414 66 G HA2 0.346 4.306 3.960 -0.000 0.000 0.236 66 G HA3 0.346 4.306 3.960 -0.000 0.000 0.236 66 G C 0.730 175.634 174.900 0.007 0.000 1.293 66 G CA 0.601 45.706 45.100 0.008 0.000 0.869 66 G HN 0.421 nan 8.290 nan 0.000 0.556 67 T N -1.239 113.318 114.554 0.006 0.000 3.054 67 T HA 0.160 4.510 4.350 -0.000 0.000 0.255 67 T C 0.693 175.394 174.700 0.002 0.000 1.035 67 T CA -0.132 61.970 62.100 0.004 0.000 0.941 67 T CB 0.043 68.913 68.868 0.005 0.000 1.026 67 T HN 0.661 nan 8.240 nan 0.000 0.533 68 E N 1.993 122.194 120.200 0.002 0.000 2.502 68 E HA 0.262 4.612 4.350 -0.000 0.000 0.261 68 E C 1.185 177.785 176.600 -0.000 0.000 0.974 68 E CA 0.748 57.148 56.400 0.000 0.000 0.936 68 E CB -0.023 29.678 29.700 0.001 0.000 0.926 68 E HN 0.477 nan 8.360 nan 0.000 0.459 69 G N 2.693 111.492 108.800 -0.002 0.000 2.195 69 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 69 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 69 G C 0.299 175.196 174.900 -0.004 0.000 0.984 69 G CA 0.102 45.200 45.100 -0.003 0.000 0.633 69 G HN 0.494 nan 8.290 nan 0.000 0.525 70 L N 1.425 122.645 121.223 -0.004 0.000 2.513 70 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 70 L C 0.893 177.757 176.870 -0.010 0.000 1.187 70 L CA -0.139 54.697 54.840 -0.007 0.000 0.895 70 L CB 0.987 43.043 42.059 -0.006 0.000 1.147 70 L HN 0.015 nan 8.230 nan 0.000 0.483 71 V N 4.720 124.626 119.914 -0.013 0.000 2.617 71 V HA 0.300 4.420 4.120 -0.000 0.000 0.298 71 V C 0.458 176.539 176.094 -0.021 0.000 1.048 71 V CA -0.811 61.479 62.300 -0.016 0.000 0.964 71 V CB 1.708 33.522 31.823 -0.016 0.000 1.004 71 V HN 0.680 nan 8.190 nan 0.000 0.466 72 R N 2.258 122.743 120.500 -0.024 0.000 2.370 72 R HA 0.454 4.794 4.340 -0.000 0.000 0.309 72 R C 1.138 177.417 176.300 -0.036 0.000 1.059 72 R CA 0.930 57.011 56.100 -0.031 0.000 0.981 72 R CB 0.305 30.586 30.300 -0.031 0.000 0.972 72 R HN 1.142 nan 8.270 nan 0.000 0.437 73 G N 2.171 110.944 108.800 -0.044 0.000 2.255 73 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.196 73 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.196 73 G C 0.061 174.934 174.900 -0.045 0.000 0.998 73 G CA -0.408 44.664 45.100 -0.047 0.000 0.656 73 G HN 0.578 nan 8.290 nan 0.000 0.490 74 E N 1.711 121.886 120.200 -0.040 0.000 2.414 74 E HA 0.488 4.838 4.350 -0.000 0.000 0.263 74 E C 0.969 177.542 176.600 -0.046 0.000 1.000 74 E CA 0.505 56.885 56.400 -0.035 0.000 0.914 74 E CB 0.304 29.989 29.700 -0.026 0.000 0.948 74 E HN 0.668 nan 8.360 nan 0.000 0.444 75 K N 2.204 122.582 120.400 -0.036 0.000 2.382 75 K HA 0.258 4.578 4.320 -0.000 0.000 0.275 75 K C -0.575 176.005 176.600 -0.032 0.000 1.009 75 K CA -0.180 56.083 56.287 -0.040 0.000 0.970 75 K CB 0.896 33.384 32.500 -0.020 0.000 0.934 75 K HN 0.323 nan 8.250 nan 0.000 0.479 76 V N 2.481 122.370 119.914 -0.041 0.000 2.577 76 V HA 0.403 4.523 4.120 -0.000 0.000 0.303 76 V C -0.771 175.363 176.094 0.067 0.000 1.042 76 V CA -0.941 61.358 62.300 -0.001 0.000 0.872 76 V CB 1.381 33.183 31.823 -0.034 0.000 0.998 76 V HN 0.839 nan 8.190 nan 0.000 0.423 77 L N 3.899 125.168 121.223 0.077 0.000 2.264 77 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 77 L C -0.139 176.798 176.870 0.110 0.000 1.044 77 L CA 0.214 55.109 54.840 0.091 0.000 0.807 77 L CB 1.131 43.222 42.059 0.053 0.000 1.192 77 L HN 0.693 nan 8.230 nan 0.000 0.425 78 D N 2.600 123.077 120.400 0.128 0.000 2.339 78 D HA 0.090 4.730 4.640 -0.000 0.000 0.256 78 D C 1.232 177.549 176.300 0.028 0.000 1.214 78 D CA 0.520 54.560 54.000 0.066 0.000 0.877 78 D CB 1.417 42.210 40.800 -0.011 0.000 1.111 78 D HN 0.783 nan 8.370 nan 0.000 0.478 79 T N 1.158 115.725 114.554 0.022 0.000 2.904 79 T HA 0.116 4.466 4.350 -0.000 0.000 0.267 79 T C 1.551 176.249 174.700 -0.002 0.000 1.059 79 T CA 0.723 62.830 62.100 0.012 0.000 1.137 79 T CB -0.216 68.661 68.868 0.015 0.000 0.879 79 T HN 0.711 nan 8.240 nan 0.000 0.467 80 G N -0.000 108.791 108.800 -0.015 0.000 2.134 80 G HA2 0.270 4.230 3.960 -0.000 0.000 0.209 80 G HA3 0.270 4.230 3.960 -0.000 0.000 0.209 80 G C 0.318 175.204 174.900 -0.023 0.000 0.993 80 G CA -0.364 44.720 45.100 -0.027 0.000 0.669 80 G HN 1.372 nan 8.290 nan 0.000 0.519 81 G N -1.322 107.470 108.800 -0.014 0.000 2.559 81 G HA2 0.734 4.694 3.960 -0.000 0.000 0.291 81 G HA3 0.734 4.694 3.960 -0.000 0.000 0.291 81 G C -3.278 171.626 174.900 0.006 0.000 1.424 81 G CA -0.338 44.758 45.100 -0.007 0.000 0.786 81 G HN 0.183 nan 8.290 nan 0.000 0.485 82 P HA 0.289 nan 4.420 nan 0.000 0.271 82 P C 0.237 177.581 177.300 0.073 0.000 1.233 82 P CA -0.377 62.761 63.100 0.064 0.000 0.789 82 P CB 0.547 32.319 31.700 0.120 0.000 0.951 83 I N 0.465 121.096 120.570 0.102 0.000 2.741 83 I HA -0.072 4.098 4.170 -0.000 0.000 0.288 83 I C 0.689 176.825 176.117 0.032 0.000 1.192 83 I CA 1.021 62.357 61.300 0.060 0.000 1.426 83 I CB -0.298 37.739 38.000 0.061 0.000 1.367 83 I HN 0.214 nan 8.210 nan 0.000 0.563 84 S N 5.738 121.444 115.700 0.010 0.000 2.541 84 S HA 0.605 5.075 4.470 -0.000 0.000 0.283 84 S C -0.301 174.281 174.600 -0.031 0.000 1.196 84 S CA -0.781 57.412 58.200 -0.011 0.000 1.062 84 S CB 1.765 64.957 63.200 -0.014 0.000 1.009 84 S HN 0.474 nan 8.310 nan 0.000 0.502 85 V N 0.725 120.607 119.914 -0.053 0.000 2.680 85 V HA 0.690 4.810 4.120 -0.000 0.000 0.309 85 V C -2.830 173.198 176.094 -0.110 0.000 1.052 85 V CA -3.039 59.216 62.300 -0.075 0.000 0.908 85 V CB 1.396 33.170 31.823 -0.081 0.000 1.001 85 V HN 0.603 nan 8.190 nan 0.000 0.431 86 P HA 0.240 nan 4.420 nan 0.000 0.267 86 P C -0.286 176.866 177.300 -0.246 0.000 1.205 86 P CA 0.307 63.311 63.100 -0.160 0.000 0.765 86 P CB 1.225 32.851 31.700 -0.124 0.000 0.828 87 V N -0.276 119.409 119.914 -0.382 0.000 3.126 87 V HA 0.974 5.094 4.120 -0.000 0.000 0.314 87 V C 0.298 175.842 176.094 -0.916 0.000 1.138 87 V CA -0.108 61.800 62.300 -0.653 0.000 1.034 87 V CB 1.068 32.430 31.823 -0.769 0.000 1.075 87 V HN 0.986 nan 8.190 nan 0.000 0.442 88 G N 1.648 109.684 108.800 -1.274 0.000 2.627 88 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.214 88 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.214 88 G C 0.191 174.776 174.900 -0.525 0.000 1.331 88 G CA 0.173 44.624 45.100 -1.083 0.000 0.891 88 G HN 0.966 nan 8.290 nan 0.000 0.539 89 R N 0.404 120.801 120.500 -0.171 0.000 2.328 89 R HA -0.027 4.313 4.340 -0.000 0.000 0.207 89 R C 2.124 178.419 176.300 -0.009 0.000 1.056 89 R CA 1.322 57.437 56.100 0.025 0.000 1.016 89 R CB -0.120 30.212 30.300 0.054 0.000 0.872 89 R HN 0.584 nan 8.270 nan 0.000 0.471 90 E N -0.110 120.043 120.200 -0.077 0.000 2.150 90 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 90 E C 1.952 178.523 176.600 -0.048 0.000 0.985 90 E CA 1.795 58.158 56.400 -0.061 0.000 0.814 90 E CB -0.218 29.425 29.700 -0.095 0.000 0.752 90 E HN 0.426 nan 8.360 nan 0.000 0.466 91 T N -0.604 113.905 114.554 -0.075 0.000 2.995 91 T HA -0.006 4.344 4.350 -0.000 0.000 0.269 91 T C 1.303 176.018 174.700 0.024 0.000 1.091 91 T CA 0.090 62.163 62.100 -0.044 0.000 1.128 91 T CB -0.347 68.471 68.868 -0.084 0.000 0.891 91 T HN -0.047 nan 8.240 nan 0.000 0.492 92 L N 1.917 123.176 121.223 0.060 0.000 2.462 92 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 92 L C 1.730 178.645 176.870 0.075 0.000 1.166 92 L CA 0.770 55.661 54.840 0.085 0.000 0.880 92 L CB 0.179 42.287 42.059 0.082 0.000 1.142 92 L HN 0.541 nan 8.230 nan 0.000 0.473 93 G N 2.051 110.905 108.800 0.090 0.000 2.258 93 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.233 93 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.233 93 G C 0.403 175.373 174.900 0.117 0.000 1.006 93 G CA -0.522 44.642 45.100 0.106 0.000 0.620 93 G HN 0.462 nan 8.290 nan 0.000 0.511 94 R N 0.189 120.728 120.500 0.066 0.000 2.643 94 R HA 0.715 5.055 4.340 -0.000 0.000 0.272 94 R C 0.104 176.391 176.300 -0.022 0.000 0.995 94 R CA -0.823 55.295 56.100 0.031 0.000 1.032 94 R CB 0.869 31.175 30.300 0.011 0.000 1.126 94 R HN 0.327 nan 8.270 nan 0.000 0.505 95 I N 2.958 123.488 120.570 -0.065 0.000 2.312 95 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 95 I C -0.170 175.925 176.117 -0.036 0.000 1.008 95 I CA -0.628 60.622 61.300 -0.084 0.000 1.226 95 I CB 0.924 38.835 38.000 -0.149 0.000 1.371 95 I HN 0.251 nan 8.210 nan 0.000 0.468 96 I N 6.412 126.960 120.570 -0.037 0.000 2.441 96 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 96 I C 0.326 176.444 176.117 0.001 0.000 0.994 96 I CA -0.381 60.903 61.300 -0.026 0.000 1.144 96 I CB 1.375 39.347 38.000 -0.047 0.000 1.314 96 I HN 0.617 nan 8.210 nan 0.000 0.445 97 N N 4.801 123.511 118.700 0.016 0.000 2.452 97 N HA 0.131 4.871 4.740 -0.000 0.000 0.296 97 N C 0.764 176.283 175.510 0.016 0.000 1.304 97 N CA -0.532 52.540 53.050 0.037 0.000 0.956 97 N CB -0.081 38.429 38.487 0.039 0.000 1.106 97 N HN 0.336 nan 8.380 nan 0.000 0.555 98 V N -0.647 119.281 119.914 0.023 0.000 2.453 98 V HA -0.004 4.116 4.120 -0.000 0.000 0.247 98 V C 1.567 177.660 176.094 -0.000 0.000 1.048 98 V CA 1.361 63.667 62.300 0.009 0.000 1.049 98 V CB -0.827 31.009 31.823 0.021 0.000 0.672 98 V HN 0.628 nan 8.190 nan 0.000 0.457 99 I N -1.747 118.827 120.570 0.006 0.000 3.749 99 I HA 0.520 4.690 4.170 -0.000 0.000 0.314 99 I C 1.457 177.569 176.117 -0.008 0.000 1.278 99 I CA 0.709 62.011 61.300 0.003 0.000 1.158 99 I CB -0.424 37.583 38.000 0.012 0.000 1.018 99 I HN 0.319 nan 8.210 nan 0.000 0.435 100 G N 0.977 109.768 108.800 -0.016 0.000 2.317 100 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.227 100 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.227 100 G C 0.150 175.036 174.900 -0.024 0.000 1.042 100 G CA 0.008 45.090 45.100 -0.029 0.000 0.623 100 G HN 0.577 nan 8.290 nan 0.000 0.509 101 E N 3.122 123.315 120.200 -0.012 0.000 2.502 101 E HA 0.260 4.610 4.350 -0.000 0.000 0.261 101 E C -2.052 174.544 176.600 -0.008 0.000 0.974 101 E CA -0.500 55.895 56.400 -0.008 0.000 0.936 101 E CB 0.656 30.355 29.700 -0.001 0.000 0.926 101 E HN 0.337 nan 8.360 nan 0.000 0.459 102 P HA 0.022 nan 4.420 nan 0.000 0.276 102 P C -0.033 177.266 177.300 -0.002 0.000 1.230 102 P CA 0.353 63.448 63.100 -0.008 0.000 0.776 102 P CB 0.372 32.067 31.700 -0.008 0.000 0.888 103 I N -0.821 119.747 120.570 -0.004 0.000 3.966 103 I HA 0.264 4.434 4.170 -0.000 0.000 0.324 103 I C 0.249 176.355 176.117 -0.018 0.000 1.517 103 I CA -0.303 60.996 61.300 -0.001 0.000 1.117 103 I CB 0.093 38.101 38.000 0.013 0.000 1.190 103 I HN 0.011 nan 8.210 nan 0.000 0.466 104 D N 0.575 120.961 120.400 -0.023 0.000 2.388 104 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 104 D C 0.208 176.529 176.300 0.036 0.000 1.133 104 D CA -0.257 53.730 54.000 -0.021 0.000 0.831 104 D CB -0.222 40.551 40.800 -0.045 0.000 0.962 104 D HN 0.464 nan 8.370 nan 0.000 0.502 105 E N 0.257 120.472 120.200 0.024 0.000 2.228 105 E HA -0.245 4.105 4.350 -0.000 0.000 0.213 105 E C -0.195 176.426 176.600 0.035 0.000 1.282 105 E CA 0.235 56.653 56.400 0.029 0.000 0.707 105 E CB -0.840 28.881 29.700 0.034 0.000 1.150 105 E HN 0.457 nan 8.360 nan 0.000 0.362 106 R N -0.088 120.430 120.500 0.030 0.000 2.642 106 R HA 0.284 4.624 4.340 -0.000 0.000 0.435 106 R C 0.701 177.013 176.300 0.020 0.000 1.046 106 R CA 0.094 56.213 56.100 0.032 0.000 1.103 106 R CB 1.269 31.597 30.300 0.046 0.000 1.425 106 R HN 0.369 nan 8.270 nan 0.000 0.586 107 G N 2.446 111.254 108.800 0.014 0.000 2.693 107 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 107 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 107 G C -2.571 172.330 174.900 0.003 0.000 1.354 107 G CA -1.055 44.050 45.100 0.008 0.000 0.873 107 G HN 0.113 nan 8.290 nan 0.000 0.562 108 P HA 0.495 nan 4.420 nan 0.000 0.272 108 P C 0.073 177.365 177.300 -0.013 0.000 1.223 108 P CA -0.375 62.721 63.100 -0.008 0.000 0.784 108 P CB 0.442 32.136 31.700 -0.009 0.000 0.923 109 I N 2.717 123.274 120.570 -0.022 0.000 2.363 109 I HA 0.065 4.235 4.170 -0.000 0.000 0.292 109 I C 1.210 177.303 176.117 -0.039 0.000 1.075 109 I CA -0.025 61.255 61.300 -0.033 0.000 1.333 109 I CB 0.157 38.129 38.000 -0.047 0.000 1.415 109 I HN 0.108 nan 8.210 nan 0.000 0.502 110 K N 5.425 125.805 120.400 -0.034 0.000 3.277 110 K HA 0.113 4.433 4.320 -0.000 0.000 0.280 110 K C 0.286 176.858 176.600 -0.047 0.000 1.182 110 K CA -0.141 56.127 56.287 -0.032 0.000 1.219 110 K CB -0.352 32.137 32.500 -0.018 0.000 1.373 110 K HN 0.646 nan 8.250 nan 0.000 0.392 111 S N -0.193 115.465 115.700 -0.070 0.000 2.585 111 S HA 0.214 4.684 4.470 -0.000 0.000 0.277 111 S C 0.796 175.350 174.600 -0.077 0.000 1.241 111 S CA -0.804 57.338 58.200 -0.096 0.000 1.041 111 S CB 1.745 64.849 63.200 -0.160 0.000 0.987 111 S HN 0.252 nan 8.310 nan 0.000 0.512 112 K N 1.376 121.735 120.400 -0.068 0.000 2.217 112 K HA 0.187 4.507 4.320 -0.000 0.000 0.202 112 K C 0.084 176.650 176.600 -0.057 0.000 1.051 112 K CA 0.671 56.930 56.287 -0.047 0.000 0.952 112 K CB -0.317 32.167 32.500 -0.026 0.000 0.736 112 K HN 0.475 nan 8.250 nan 0.000 0.453 113 L N 1.365 122.531 121.223 -0.095 0.000 2.309 113 L HA 0.307 4.647 4.340 -0.000 0.000 0.282 113 L C -0.505 176.288 176.870 -0.128 0.000 1.036 113 L CA -0.575 54.205 54.840 -0.100 0.000 0.806 113 L CB 1.449 43.442 42.059 -0.111 0.000 1.220 113 L HN -0.003 nan 8.230 nan 0.000 0.429 114 R N 3.339 123.790 120.500 -0.083 0.000 2.561 114 R HA 0.453 4.793 4.340 -0.000 0.000 0.297 114 R C -1.092 175.177 176.300 -0.053 0.000 0.969 114 R CA -0.886 55.167 56.100 -0.079 0.000 0.879 114 R CB 2.223 32.492 30.300 -0.053 0.000 1.178 114 R HN 0.372 nan 8.270 nan 0.000 0.445 115 K N 3.837 124.200 120.400 -0.061 0.000 2.450 115 K HA 0.371 4.691 4.320 -0.000 0.000 0.257 115 K C -2.559 174.028 176.600 -0.022 0.000 0.953 115 K CA -2.190 54.080 56.287 -0.028 0.000 0.844 115 K CB 1.816 34.304 32.500 -0.020 0.000 1.103 115 K HN 0.190 nan 8.250 nan 0.000 0.429 116 P HA -0.092 nan 4.420 nan 0.000 0.264 116 P C 0.566 177.871 177.300 0.008 0.000 1.179 116 P CA 0.344 63.456 63.100 0.021 0.000 0.763 116 P CB 0.330 32.054 31.700 0.040 0.000 0.806 117 I N -0.494 120.076 120.570 -0.000 0.000 3.251 117 I HA 0.053 4.223 4.170 -0.000 0.000 0.277 117 I C 0.477 176.475 176.117 -0.198 0.000 1.268 117 I CA 0.634 61.872 61.300 -0.103 0.000 1.449 117 I CB -0.464 37.449 38.000 -0.144 0.000 1.083 117 I HN 0.256 nan 8.210 nan 0.000 0.464 118 H N 2.614 121.677 119.070 -0.012 0.000 2.517 118 H HA 0.774 5.330 4.556 -0.000 0.000 0.317 118 H C -0.537 174.784 175.328 -0.011 0.000 1.080 118 H CA -0.300 55.743 56.048 -0.009 0.000 1.301 118 H CB 1.659 31.421 29.762 -0.001 0.000 1.425 118 H HN 0.393 nan 8.280 nan 0.000 0.471 119 A N 3.197 126.063 122.820 0.077 0.000 2.572 119 A HA 0.256 4.576 4.320 -0.000 0.000 0.295 119 A C -0.899 176.705 177.584 0.034 0.000 1.072 119 A CA -0.949 51.113 52.037 0.042 0.000 0.691 119 A CB 1.498 20.505 19.000 0.012 0.000 1.291 119 A HN 0.558 nan 8.150 nan 0.000 0.404 120 D N 3.285 123.701 120.400 0.027 0.000 2.371 120 D HA 0.371 5.011 4.640 -0.000 0.000 0.256 120 D C -1.854 174.454 176.300 0.014 0.000 1.193 120 D CA -0.378 53.635 54.000 0.022 0.000 0.881 120 D CB 0.821 41.633 40.800 0.019 0.000 1.143 120 D HN 0.309 nan 8.370 nan 0.000 0.473 121 P HA 0.124 nan 4.420 nan 0.000 0.268 121 P C -2.499 174.809 177.300 0.014 0.000 1.208 121 P CA -0.972 62.132 63.100 0.007 0.000 0.777 121 P CB -0.364 31.343 31.700 0.012 0.000 0.875 122 P HA -0.038 nan 4.420 nan 0.000 0.265 122 P C 0.627 177.943 177.300 0.027 0.000 1.187 122 P CA 0.379 63.484 63.100 0.008 0.000 0.766 122 P CB 0.153 31.850 31.700 -0.006 0.000 0.820 123 S N 2.245 117.964 115.700 0.032 0.000 2.633 123 S HA 0.084 4.554 4.470 -0.000 0.000 0.257 123 S C 0.946 175.605 174.600 0.097 0.000 1.265 123 S CA -0.244 57.998 58.200 0.070 0.000 0.980 123 S CB -0.191 63.049 63.200 0.067 0.000 1.017 123 S HN 0.408 nan 8.310 nan 0.000 0.577 124 F N 0.873 120.824 119.950 0.002 0.000 2.325 124 F HA 0.193 4.720 4.527 -0.000 0.000 0.299 124 F C 2.305 178.104 175.800 -0.000 0.000 1.090 124 F CA 0.919 58.920 58.000 0.002 0.000 1.392 124 F CB -0.909 38.093 39.000 0.002 0.000 1.053 124 F HN 0.675 nan 8.300 nan 0.000 0.521 125 A N 0.493 123.317 122.820 0.006 0.000 1.855 125 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 125 A C 2.011 179.513 177.584 -0.136 0.000 1.191 125 A CA 1.715 53.704 52.037 -0.080 0.000 0.613 125 A CB -0.862 18.149 19.000 0.019 0.000 0.829 125 A HN 0.521 nan 8.150 nan 0.000 0.442 126 E N 0.539 120.692 120.200 -0.080 0.000 2.478 126 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 126 E C -0.082 176.461 176.600 -0.095 0.000 1.046 126 E CA -0.077 56.280 56.400 -0.071 0.000 0.870 126 E CB -0.046 29.632 29.700 -0.036 0.000 0.818 126 E HN 0.513 nan 8.360 nan 0.000 0.527 127 Q N 1.045 120.756 119.800 -0.149 0.000 2.263 127 Q HA 0.014 4.354 4.340 -0.000 0.000 0.289 127 Q C -0.189 175.727 176.000 -0.140 0.000 1.061 127 Q CA 0.468 56.178 55.803 -0.154 0.000 0.927 127 Q CB 1.223 29.813 28.738 -0.247 0.000 1.154 127 Q HN -0.030 nan 8.270 nan 0.000 0.378 128 S N 2.245 117.890 115.700 -0.091 0.000 2.601 128 S HA 0.254 4.724 4.470 -0.000 0.000 0.312 128 S C -0.236 174.329 174.600 -0.059 0.000 1.107 128 S CA -0.692 57.464 58.200 -0.074 0.000 1.129 128 S CB 0.343 63.511 63.200 -0.053 0.000 0.982 128 S HN 0.553 nan 8.310 nan 0.000 0.469 129 T N 2.338 116.853 114.554 -0.064 0.000 2.870 129 T HA 0.532 4.882 4.350 -0.000 0.000 0.300 129 T C -0.069 174.612 174.700 -0.033 0.000 0.989 129 T CA -0.373 61.700 62.100 -0.046 0.000 1.139 129 T CB 0.653 69.493 68.868 -0.047 0.000 0.920 129 T HN 0.933 nan 8.240 nan 0.000 0.537 130 S N 1.462 117.148 115.700 -0.023 0.000 2.536 130 S HA 0.567 5.037 4.470 -0.000 0.000 0.246 130 S C -0.297 174.297 174.600 -0.010 0.000 1.077 130 S CA -0.838 57.352 58.200 -0.017 0.000 1.091 130 S CB 0.598 63.789 63.200 -0.015 0.000 1.148 130 S HN 1.244 nan 8.310 nan 0.000 0.447 131 A N 2.427 125.241 122.820 -0.011 0.000 2.922 131 A HA 0.570 4.890 4.320 -0.000 0.000 0.298 131 A C 0.248 177.829 177.584 -0.005 0.000 1.588 131 A CA -0.228 51.804 52.037 -0.007 0.000 1.288 131 A CB -0.351 18.642 19.000 -0.013 0.000 1.130 131 A HN 0.824 nan 8.150 nan 0.000 0.557 132 E N 2.392 122.594 120.200 0.004 0.000 2.191 132 E HA 0.431 4.781 4.350 -0.000 0.000 0.263 132 E C -0.377 176.237 176.600 0.024 0.000 0.881 132 E CA -0.684 55.721 56.400 0.009 0.000 0.757 132 E CB 1.236 30.942 29.700 0.010 0.000 1.147 132 E HN 0.694 nan 8.360 nan 0.000 0.414 133 I N 4.221 124.804 120.570 0.021 0.000 2.993 133 I HA 0.046 4.216 4.170 -0.000 0.000 0.286 133 I C -1.111 175.042 176.117 0.059 0.000 1.215 133 I CA -0.101 61.221 61.300 0.037 0.000 1.393 133 I CB 0.527 38.536 38.000 0.015 0.000 1.371 133 I HN 0.508 nan 8.210 nan 0.000 0.602 134 L N 6.888 128.163 121.223 0.087 0.000 2.404 134 L HA 0.405 4.745 4.340 -0.000 0.000 0.272 134 L C -0.558 176.351 176.870 0.065 0.000 0.980 134 L CA -0.258 54.641 54.840 0.097 0.000 0.836 134 L CB 1.427 43.574 42.059 0.145 0.000 1.238 134 L HN 0.643 nan 8.230 nan 0.000 0.408 135 E N 1.870 122.097 120.200 0.046 0.000 2.316 135 E HA 0.265 4.615 4.350 -0.000 0.000 0.275 135 E C 0.087 176.685 176.600 -0.004 0.000 1.029 135 E CA 0.620 57.030 56.400 0.017 0.000 0.871 135 E CB 0.994 30.709 29.700 0.026 0.000 1.022 135 E HN 0.825 nan 8.360 nan 0.000 0.418 136 T N 0.310 114.829 114.554 -0.058 0.000 2.987 136 T HA 0.289 4.639 4.350 -0.000 0.000 0.248 136 T C 1.214 175.865 174.700 -0.082 0.000 0.997 136 T CA 0.327 62.371 62.100 -0.093 0.000 1.013 136 T CB 0.509 69.238 68.868 -0.233 0.000 1.077 136 T HN 0.665 nan 8.240 nan 0.000 0.483 137 G N 1.699 110.467 108.800 -0.053 0.000 2.130 137 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 137 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 137 G C -0.145 174.759 174.900 0.008 0.000 0.999 137 G CA -0.096 44.992 45.100 -0.021 0.000 0.686 137 G HN 0.652 nan 8.290 nan 0.000 0.515 138 I N 0.588 121.153 120.570 -0.008 0.000 2.437 138 I HA 0.265 4.435 4.170 -0.000 0.000 0.279 138 I C 1.541 177.676 176.117 0.029 0.000 1.028 138 I CA -0.925 60.415 61.300 0.067 0.000 1.142 138 I CB 1.314 39.366 38.000 0.087 0.000 1.266 138 I HN -0.016 nan 8.210 nan 0.000 0.461 139 K N 2.775 123.187 120.400 0.019 0.000 2.023 139 K HA -0.277 4.043 4.320 -0.000 0.000 0.227 139 K C 1.873 178.419 176.600 -0.090 0.000 1.054 139 K CA 2.277 58.542 56.287 -0.037 0.000 0.977 139 K CB -0.236 32.245 32.500 -0.031 0.000 0.733 139 K HN 0.536 nan 8.250 nan 0.000 0.451 140 V N 0.970 120.864 119.914 -0.034 0.000 2.282 140 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 140 V C 2.162 178.240 176.094 -0.026 0.000 1.057 140 V CA 1.968 64.243 62.300 -0.043 0.000 1.032 140 V CB -0.099 31.753 31.823 0.049 0.000 0.645 140 V HN 0.232 nan 8.190 nan 0.000 0.447 141 V N 0.275 120.209 119.914 0.033 0.000 2.244 141 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 141 V C 2.372 178.453 176.094 -0.022 0.000 1.042 141 V CA 2.436 64.747 62.300 0.018 0.000 1.006 141 V CB -0.858 30.931 31.823 -0.056 0.000 0.641 141 V HN 0.571 nan 8.190 nan 0.000 0.446 142 D N -0.137 120.234 120.400 -0.048 0.000 2.149 142 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 142 D C 1.882 178.215 176.300 0.055 0.000 0.990 142 D CA 1.254 55.253 54.000 -0.002 0.000 0.839 142 D CB -0.227 40.569 40.800 -0.008 0.000 0.948 142 D HN 0.368 nan 8.370 nan 0.000 0.460 143 L N -0.087 121.094 121.223 -0.069 0.000 2.007 143 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 143 L C 2.022 178.883 176.870 -0.016 0.000 1.073 143 L CA 1.493 56.242 54.840 -0.150 0.000 0.744 143 L CB -0.516 41.260 42.059 -0.471 0.000 0.898 143 L HN -0.031 nan 8.230 nan 0.000 0.435 144 L N -0.603 120.579 121.223 -0.069 0.000 2.168 144 L HA 0.242 4.582 4.340 -0.000 0.000 0.203 144 L C 0.920 177.815 176.870 0.042 0.000 1.078 144 L CA 0.611 55.432 54.840 -0.032 0.000 0.780 144 L CB -0.266 41.752 42.059 -0.069 0.000 0.939 144 L HN 0.325 nan 8.230 nan 0.000 0.451 145 A N 0.571 123.434 122.820 0.071 0.000 3.082 145 A HA 0.459 4.779 4.320 -0.000 0.000 0.328 145 A C -2.590 175.101 177.584 0.178 0.000 1.089 145 A CA -1.093 51.018 52.037 0.123 0.000 0.802 145 A CB -0.136 18.947 19.000 0.138 0.000 1.138 145 A HN -0.122 nan 8.150 nan 0.000 0.474 146 P HA 0.178 nan 4.420 nan 0.000 0.276 146 P C -0.723 176.738 177.300 0.269 0.000 1.230 146 P CA 0.194 63.379 63.100 0.141 0.000 0.776 146 P CB 0.528 32.275 31.700 0.078 0.000 0.888 147 Y N 1.090 121.426 120.300 0.060 0.000 2.457 147 Y HA 0.304 4.854 4.550 -0.000 0.000 0.341 147 Y C 1.192 177.111 175.900 0.031 0.000 1.240 147 Y CA -1.190 56.941 58.100 0.051 0.000 1.437 147 Y CB -0.117 38.381 38.460 0.064 0.000 1.328 147 Y HN 0.390 nan 8.280 nan 0.000 0.588 148 A N 4.355 127.268 122.820 0.155 0.000 2.260 148 A HA 0.488 4.808 4.320 -0.000 0.000 0.314 148 A C 0.242 177.859 177.584 0.054 0.000 1.257 148 A CA -0.899 51.183 52.037 0.076 0.000 0.871 148 A CB 0.272 19.292 19.000 0.034 0.000 1.166 148 A HN 0.817 nan 8.150 nan 0.000 0.522 149 R N 1.641 122.174 120.500 0.055 0.000 2.537 149 R HA 0.365 4.705 4.340 -0.000 0.000 0.280 149 R C 1.363 177.672 176.300 0.015 0.000 1.058 149 R CA 1.675 57.801 56.100 0.042 0.000 1.057 149 R CB 0.203 30.535 30.300 0.053 0.000 0.973 149 R HN 1.630 nan 8.270 nan 0.000 0.438 150 G N 1.993 110.792 108.800 -0.000 0.000 2.205 150 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 150 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 150 G C 0.273 175.155 174.900 -0.030 0.000 0.980 150 G CA 0.062 45.154 45.100 -0.013 0.000 0.632 150 G HN 0.927 nan 8.290 nan 0.000 0.533 151 G N -0.703 108.075 108.800 -0.036 0.000 2.753 151 G HA2 0.653 4.613 3.960 -0.000 0.000 0.285 151 G HA3 0.653 4.613 3.960 -0.000 0.000 0.285 151 G C -0.489 174.362 174.900 -0.082 0.000 1.344 151 G CA -0.650 44.423 45.100 -0.045 0.000 1.050 151 G HN 0.373 nan 8.290 nan 0.000 0.532 152 K N -0.417 119.935 120.400 -0.079 0.000 2.206 152 K HA 0.573 4.893 4.320 -0.000 0.000 0.264 152 K C -1.102 175.412 176.600 -0.142 0.000 0.967 152 K CA -0.265 55.954 56.287 -0.113 0.000 0.844 152 K CB 2.212 34.665 32.500 -0.079 0.000 1.099 152 K HN 0.246 nan 8.250 nan 0.000 0.441 153 I N 1.338 121.777 120.570 -0.219 0.000 2.466 153 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 153 I C 0.116 176.067 176.117 -0.277 0.000 1.026 153 I CA -0.715 60.393 61.300 -0.320 0.000 1.078 153 I CB 2.220 39.846 38.000 -0.624 0.000 1.249 153 I HN 0.634 nan 8.210 nan 0.000 0.429 154 G N 6.836 115.516 108.800 -0.199 0.000 2.335 154 G HA2 0.659 4.619 3.960 -0.000 0.000 0.316 154 G HA3 0.659 4.619 3.960 -0.000 0.000 0.316 154 G C -0.651 174.127 174.900 -0.203 0.000 1.129 154 G CA -0.494 44.462 45.100 -0.239 0.000 0.899 154 G HN 0.477 nan 8.290 nan 0.000 0.448 155 L N 2.759 123.789 121.223 -0.322 0.000 2.272 155 L HA 0.391 4.731 4.340 -0.000 0.000 0.284 155 L C -0.735 175.950 176.870 -0.308 0.000 1.045 155 L CA -0.543 54.158 54.840 -0.231 0.000 0.842 155 L CB 0.477 42.433 42.059 -0.171 0.000 1.224 155 L HN 0.338 nan 8.230 nan 0.000 0.430 156 F N 1.380 121.253 119.950 -0.128 0.000 2.399 156 F HA 0.792 5.319 4.527 -0.000 0.000 0.334 156 F C 0.918 176.672 175.800 -0.077 0.000 1.097 156 F CA -0.390 57.551 58.000 -0.097 0.000 1.076 156 F CB 2.056 41.013 39.000 -0.071 0.000 1.162 156 F HN 0.418 nan 8.300 nan 0.000 0.495 157 G N 0.669 109.510 108.800 0.067 0.000 2.442 157 G HA2 0.466 4.426 3.960 -0.000 0.000 0.296 157 G HA3 0.466 4.426 3.960 -0.000 0.000 0.296 157 G C -0.858 173.971 174.900 -0.120 0.000 1.564 157 G CA -0.348 44.754 45.100 0.003 0.000 0.828 157 G HN 0.930 nan 8.290 nan 0.000 0.571 158 G N -0.535 108.186 108.800 -0.133 0.000 2.508 158 G HA2 0.703 4.663 3.960 -0.000 0.000 0.278 158 G HA3 0.703 4.663 3.960 -0.000 0.000 0.278 158 G C 0.753 175.616 174.900 -0.061 0.000 1.389 158 G CA 0.374 45.323 45.100 -0.253 0.000 1.050 158 G HN 1.787 nan 8.290 nan 0.000 0.522 159 A N -1.408 121.444 122.820 0.053 0.000 2.522 159 A HA 0.502 4.822 4.320 -0.000 0.000 0.256 159 A C 1.505 179.162 177.584 0.123 0.000 1.086 159 A CA 1.120 53.291 52.037 0.224 0.000 0.763 159 A CB -0.711 18.430 19.000 0.236 0.000 1.024 159 A HN 2.523 nan 8.150 nan 0.000 0.502 160 G N 0.896 109.772 108.800 0.126 0.000 2.143 160 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 160 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 160 G C 0.791 175.748 174.900 0.096 0.000 0.991 160 G CA 0.880 46.034 45.100 0.090 0.000 0.689 160 G HN 2.116 nan 8.290 nan 0.000 0.522 161 V N -3.440 116.537 119.914 0.105 0.000 3.174 161 V HA 0.633 4.753 4.120 -0.000 0.000 0.254 161 V C 1.790 177.997 176.094 0.189 0.000 1.120 161 V CA 1.668 64.037 62.300 0.116 0.000 1.114 161 V CB 0.341 32.201 31.823 0.061 0.000 0.756 161 V HN 2.037 nan 8.190 nan 0.000 0.467 162 G N -0.078 108.834 108.800 0.186 0.000 2.507 162 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.205 162 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.205 162 G C 0.629 175.695 174.900 0.276 0.000 0.996 162 G CA 0.139 45.394 45.100 0.259 0.000 0.776 162 G HN 0.400 nan 8.290 nan 0.000 0.532 163 K N 0.196 120.711 120.400 0.192 0.000 2.001 163 K HA -0.106 4.214 4.320 -0.000 0.000 0.214 163 K C 2.375 179.118 176.600 0.238 0.000 1.050 163 K CA 2.061 58.454 56.287 0.176 0.000 0.934 163 K CB -0.373 32.196 32.500 0.115 0.000 0.718 163 K HN 0.235 nan 8.250 nan 0.000 0.443 164 T N 0.927 115.604 114.554 0.205 0.000 2.951 164 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 164 T C 1.999 176.820 174.700 0.202 0.000 1.073 164 T CA 0.670 62.892 62.100 0.203 0.000 1.134 164 T CB -0.013 68.960 68.868 0.175 0.000 0.884 164 T HN -0.042 nan 8.240 nan 0.000 0.479 165 V N 0.794 120.836 119.914 0.213 0.000 2.427 165 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 165 V C 1.926 178.137 176.094 0.195 0.000 1.051 165 V CA 1.378 63.806 62.300 0.213 0.000 1.048 165 V CB -0.549 31.411 31.823 0.228 0.000 0.666 165 V HN 0.424 nan 8.190 nan 0.000 0.456 166 F N -0.054 119.969 119.950 0.121 0.000 2.113 166 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 166 F C 2.104 177.907 175.800 0.005 0.000 1.103 166 F CA 1.862 59.896 58.000 0.056 0.000 1.248 166 F CB -0.116 38.975 39.000 0.151 0.000 0.999 166 F HN 0.049 nan 8.300 nan 0.000 0.475 167 I N -0.282 120.512 120.570 0.374 0.000 2.546 167 I HA -0.253 3.916 4.170 -0.000 0.000 0.255 167 I C 1.963 178.133 176.117 0.088 0.000 1.163 167 I CA 1.120 62.599 61.300 0.298 0.000 1.457 167 I CB -0.276 37.918 38.000 0.323 0.000 1.092 167 I HN 0.288 nan 8.210 nan 0.000 0.434 168 Q N 0.028 119.856 119.800 0.047 0.000 2.230 168 Q HA -0.237 4.102 4.340 -0.000 0.000 0.202 168 Q C 1.837 177.751 176.000 -0.143 0.000 0.963 168 Q CA 1.182 56.950 55.803 -0.058 0.000 0.866 168 Q CB 0.141 28.875 28.738 -0.007 0.000 0.931 168 Q HN 0.419 nan 8.270 nan 0.000 0.452 169 E N 1.002 121.077 120.200 -0.208 0.000 2.046 169 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 169 E C 1.761 178.179 176.600 -0.303 0.000 0.982 169 E CA 0.900 57.085 56.400 -0.357 0.000 0.800 169 E CB -0.183 29.036 29.700 -0.800 0.000 0.756 169 E HN 0.245 nan 8.360 nan 0.000 0.449 170 L N 0.367 121.448 121.223 -0.236 0.000 2.013 170 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 170 L C 2.564 179.385 176.870 -0.082 0.000 1.073 170 L CA 1.355 56.161 54.840 -0.057 0.000 0.753 170 L CB -0.572 41.624 42.059 0.228 0.000 0.890 170 L HN 0.230 nan 8.230 nan 0.000 0.432 171 I N -0.014 120.373 120.570 -0.306 0.000 2.118 171 I HA -0.370 3.800 4.170 -0.000 0.000 0.241 171 I C 2.291 178.286 176.117 -0.204 0.000 1.070 171 I CA 1.997 63.023 61.300 -0.458 0.000 1.327 171 I CB -0.502 37.165 38.000 -0.554 0.000 1.034 171 I HN 0.365 nan 8.210 nan 0.000 0.405 172 N N 0.811 119.406 118.700 -0.176 0.000 2.272 172 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 172 N C 1.455 176.914 175.510 -0.083 0.000 1.014 172 N CA 1.415 54.393 53.050 -0.120 0.000 0.870 172 N CB 0.033 38.449 38.487 -0.118 0.000 0.975 172 N HN 0.287 nan 8.380 nan 0.000 0.433 173 N N -0.496 118.153 118.700 -0.085 0.000 2.258 173 N HA 0.055 4.795 4.740 -0.000 0.000 0.183 173 N C 1.186 176.699 175.510 0.005 0.000 1.029 173 N CA 0.733 53.755 53.050 -0.047 0.000 0.857 173 N CB -0.048 38.396 38.487 -0.071 0.000 1.008 173 N HN 0.168 nan 8.380 nan 0.000 0.433 174 I N 1.055 121.650 120.570 0.042 0.000 2.364 174 I HA 0.120 4.290 4.170 -0.000 0.000 0.241 174 I C 2.280 178.471 176.117 0.124 0.000 1.082 174 I CA 0.467 61.833 61.300 0.110 0.000 1.401 174 I CB -1.750 36.358 38.000 0.180 0.000 1.126 174 I HN -0.023 nan 8.210 nan 0.000 0.429 175 A N 2.608 125.492 122.820 0.107 0.000 1.881 175 A HA -0.325 3.995 4.320 -0.000 0.000 0.219 175 A C 2.323 179.964 177.584 0.096 0.000 1.215 175 A CA 3.239 55.340 52.037 0.108 0.000 0.648 175 A CB -1.006 18.015 19.000 0.035 0.000 0.832 175 A HN 0.599 nan 8.150 nan 0.000 0.455 176 K N -0.331 120.096 120.400 0.046 0.000 2.044 176 K HA 0.030 4.350 4.320 -0.000 0.000 0.210 176 K C 1.561 178.185 176.600 0.040 0.000 1.049 176 K CA 1.640 57.945 56.287 0.031 0.000 0.927 176 K CB -0.519 31.984 32.500 0.005 0.000 0.713 176 K HN 0.366 nan 8.250 nan 0.000 0.443 177 A N 1.660 124.512 122.820 0.053 0.000 2.411 177 A HA 0.028 4.348 4.320 -0.000 0.000 0.251 177 A C -0.336 177.284 177.584 0.060 0.000 1.317 177 A CA -0.420 51.640 52.037 0.039 0.000 0.904 177 A CB -0.642 18.375 19.000 0.028 0.000 0.993 177 A HN 0.451 nan 8.150 nan 0.000 0.504 178 H N -0.801 118.257 119.070 -0.020 0.000 2.463 178 H HA 0.365 4.921 4.556 -0.000 0.000 0.332 178 H C 1.389 176.665 175.328 -0.086 0.000 1.127 178 H CA 0.412 56.441 56.048 -0.031 0.000 1.238 178 H CB 1.682 31.445 29.762 0.002 0.000 1.478 178 H HN 0.193 nan 8.280 nan 0.000 0.499 179 G N 3.469 111.852 108.800 -0.694 0.000 2.545 179 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 179 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 179 G C 0.846 175.488 174.900 -0.430 0.000 1.218 179 G CA 0.661 45.463 45.100 -0.497 0.000 0.787 179 G HN 0.691 nan 8.290 nan 0.000 0.571 180 G N -0.920 107.642 108.800 -0.397 0.000 2.535 180 G HA2 0.472 4.432 3.960 -0.000 0.000 0.282 180 G HA3 0.472 4.432 3.960 -0.000 0.000 0.282 180 G C -0.562 174.163 174.900 -0.291 0.000 1.350 180 G CA -0.914 43.991 45.100 -0.325 0.000 1.039 180 G HN 0.132 nan 8.290 nan 0.000 0.509 181 F N -0.739 119.143 119.950 -0.112 0.000 2.378 181 F HA 0.546 5.073 4.527 -0.000 0.000 0.319 181 F C 0.949 176.693 175.800 -0.094 0.000 1.155 181 F CA -0.338 57.539 58.000 -0.205 0.000 1.157 181 F CB 1.290 39.895 39.000 -0.658 0.000 1.252 181 F HN 0.163 nan 8.300 nan 0.000 0.550 182 S N 0.076 115.876 115.700 0.166 0.000 2.566 182 S HA 0.782 5.252 4.470 -0.000 0.000 0.298 182 S C -1.103 173.611 174.600 0.189 0.000 1.083 182 S CA -0.756 57.544 58.200 0.166 0.000 0.978 182 S CB 2.134 65.482 63.200 0.246 0.000 1.073 182 S HN 0.313 nan 8.310 nan 0.000 0.491 183 V N 2.568 122.599 119.914 0.195 0.000 2.577 183 V HA 0.496 4.616 4.120 -0.000 0.000 0.303 183 V C -1.428 174.800 176.094 0.223 0.000 1.042 183 V CA -0.627 61.777 62.300 0.174 0.000 0.872 183 V CB 1.428 33.319 31.823 0.113 0.000 0.998 183 V HN 0.837 nan 8.190 nan 0.000 0.423 184 F N 3.583 123.555 119.950 0.036 0.000 2.382 184 F HA 0.584 5.111 4.527 -0.000 0.000 0.361 184 F C 0.413 176.117 175.800 -0.161 0.000 1.109 184 F CA -0.108 57.896 58.000 0.007 0.000 1.031 184 F CB 1.329 40.320 39.000 -0.016 0.000 1.234 184 F HN 0.486 nan 8.300 nan 0.000 0.445 185 T N 4.578 118.884 114.554 -0.415 0.000 2.744 185 T HA 0.468 4.818 4.350 -0.000 0.000 0.291 185 T C 0.348 174.793 174.700 -0.426 0.000 0.957 185 T CA -0.530 61.366 62.100 -0.341 0.000 1.002 185 T CB 1.071 69.799 68.868 -0.233 0.000 0.919 185 T HN 0.795 nan 8.240 nan 0.000 0.468 186 G N 2.258 111.000 108.800 -0.098 0.000 2.504 186 G HA2 0.504 4.464 3.960 -0.000 0.000 0.326 186 G HA3 0.504 4.464 3.960 -0.000 0.000 0.326 186 G C -0.457 174.589 174.900 0.245 0.000 1.073 186 G CA -0.442 44.836 45.100 0.296 0.000 1.030 186 G HN 0.660 nan 8.290 nan 0.000 0.448 187 V N 2.866 122.845 119.914 0.109 0.000 2.318 187 V HA 0.566 4.686 4.120 -0.000 0.000 0.271 187 V C 1.329 177.489 176.094 0.110 0.000 1.030 187 V CA 0.518 62.876 62.300 0.096 0.000 0.844 187 V CB 0.633 32.487 31.823 0.051 0.000 1.015 187 V HN 1.268 nan 8.190 nan 0.000 0.460 188 G N 3.485 112.348 108.800 0.107 0.000 2.175 188 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.265 188 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.265 188 G C 0.275 175.218 174.900 0.071 0.000 0.979 188 G CA 0.466 45.614 45.100 0.079 0.000 0.663 188 G HN 0.586 nan 8.290 nan 0.000 0.533 189 E N -0.278 119.978 120.200 0.092 0.000 2.700 189 E HA 0.432 4.782 4.350 -0.000 0.000 0.253 189 E C 0.982 177.609 176.600 0.045 0.000 1.175 189 E CA -0.867 55.576 56.400 0.072 0.000 1.010 189 E CB 0.487 30.250 29.700 0.106 0.000 1.284 189 E HN 0.439 nan 8.360 nan 0.000 0.557 190 R N 0.028 120.547 120.500 0.032 0.000 2.590 190 R HA 0.094 4.434 4.340 -0.000 0.000 0.274 190 R C 1.297 177.567 176.300 -0.049 0.000 1.061 190 R CA 0.108 56.207 56.100 -0.001 0.000 1.081 190 R CB 0.164 30.470 30.300 0.010 0.000 0.984 190 R HN 0.411 nan 8.270 nan 0.000 0.448 191 T N 2.396 116.902 114.554 -0.080 0.000 2.770 191 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 191 T C 1.587 176.188 174.700 -0.164 0.000 1.039 191 T CA 1.636 63.639 62.100 -0.161 0.000 1.142 191 T CB -0.080 68.714 68.868 -0.124 0.000 0.868 191 T HN 0.609 nan 8.240 nan 0.000 0.435 192 R N 1.691 122.140 120.500 -0.085 0.000 2.341 192 R HA 0.056 4.396 4.340 -0.000 0.000 0.213 192 R C 1.666 177.938 176.300 -0.048 0.000 1.082 192 R CA 1.311 57.376 56.100 -0.058 0.000 1.017 192 R CB -0.413 29.873 30.300 -0.023 0.000 0.860 192 R HN 0.394 nan 8.270 nan 0.000 0.473 193 E N 0.010 120.176 120.200 -0.056 0.000 2.250 193 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 193 E C 1.881 178.453 176.600 -0.046 0.000 0.986 193 E CA 0.652 57.043 56.400 -0.015 0.000 0.849 193 E CB 0.136 29.860 29.700 0.041 0.000 0.797 193 E HN 0.627 nan 8.360 nan 0.000 0.482 194 G N 1.190 109.871 108.800 -0.199 0.000 2.430 194 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 194 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 194 G C 1.415 176.244 174.900 -0.119 0.000 1.146 194 G CA 0.665 45.571 45.100 -0.324 0.000 0.793 194 G HN 0.140 nan 8.290 nan 0.000 0.537 195 N N 0.817 119.446 118.700 -0.118 0.000 2.084 195 N HA -0.105 4.635 4.740 -0.000 0.000 0.190 195 N C 1.726 177.260 175.510 0.040 0.000 1.030 195 N CA 1.621 54.675 53.050 0.007 0.000 0.849 195 N CB -0.158 38.318 38.487 -0.018 0.000 1.012 195 N HN 0.102 nan 8.380 nan 0.000 0.423 196 D N -0.273 120.128 120.400 0.003 0.000 2.104 196 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 196 D C 1.843 178.142 176.300 -0.001 0.000 0.994 196 D CA 0.692 54.693 54.000 0.001 0.000 0.830 196 D CB -0.395 40.408 40.800 0.005 0.000 0.959 196 D HN 0.243 nan 8.370 nan 0.000 0.452 197 L N -0.442 120.780 121.223 -0.002 0.000 2.027 197 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 197 L C 2.132 179.023 176.870 0.035 0.000 1.074 197 L CA 1.462 56.274 54.840 -0.046 0.000 0.745 197 L CB -0.800 41.159 42.059 -0.166 0.000 0.898 197 L HN 0.034 nan 8.230 nan 0.000 0.433 198 Y N 0.641 120.921 120.300 -0.033 0.000 2.114 198 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 198 Y C 2.829 178.714 175.900 -0.025 0.000 1.165 198 Y CA 2.027 60.123 58.100 -0.006 0.000 1.148 198 Y CB -0.392 38.092 38.460 0.039 0.000 0.972 198 Y HN 0.155 nan 8.280 nan 0.000 0.504 199 R N -0.337 120.149 120.500 -0.024 0.000 2.096 199 R HA -0.235 4.105 4.340 -0.000 0.000 0.240 199 R C 2.250 178.491 176.300 -0.099 0.000 1.139 199 R CA 1.831 57.868 56.100 -0.105 0.000 0.952 199 R CB -0.372 29.896 30.300 -0.054 0.000 0.854 199 R HN 0.260 nan 8.270 nan 0.000 0.436 200 E N 0.448 120.608 120.200 -0.066 0.000 2.051 200 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 200 E C 1.876 178.428 176.600 -0.079 0.000 0.991 200 E CA 1.594 57.951 56.400 -0.071 0.000 0.799 200 E CB -0.072 29.587 29.700 -0.069 0.000 0.748 200 E HN 0.135 nan 8.360 nan 0.000 0.449 201 M N 0.586 120.141 119.600 -0.074 0.000 2.073 201 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 201 M C 2.161 178.416 176.300 -0.075 0.000 1.070 201 M CA 1.838 57.100 55.300 -0.062 0.000 1.103 201 M CB -1.041 31.552 32.600 -0.012 0.000 1.321 201 M HN 0.106 nan 8.290 nan 0.000 0.405 202 K N 0.410 120.734 120.400 -0.126 0.000 2.009 202 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 202 K C 1.611 178.156 176.600 -0.093 0.000 1.049 202 K CA 1.443 57.647 56.287 -0.137 0.000 0.929 202 K CB -0.320 32.048 32.500 -0.221 0.000 0.714 202 K HN 0.480 nan 8.250 nan 0.000 0.440 203 E N 0.061 120.207 120.200 -0.089 0.000 2.505 203 E HA -0.049 4.301 4.350 -0.000 0.000 0.197 203 E C 0.364 176.932 176.600 -0.055 0.000 1.111 203 E CA 0.529 56.889 56.400 -0.067 0.000 0.887 203 E CB 0.196 29.857 29.700 -0.066 0.000 0.913 203 E HN 0.278 nan 8.360 nan 0.000 0.517 204 T N -2.008 112.514 114.554 -0.053 0.000 3.016 204 T HA 0.230 4.580 4.350 -0.000 0.000 0.271 204 T C 1.242 175.923 174.700 -0.032 0.000 0.968 204 T CA 0.203 62.277 62.100 -0.043 0.000 0.891 204 T CB 1.252 70.091 68.868 -0.049 0.000 1.149 204 T HN 0.315 nan 8.240 nan 0.000 0.524 205 G N 1.569 110.350 108.800 -0.032 0.000 2.336 205 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.233 205 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.233 205 G C 1.199 176.095 174.900 -0.007 0.000 1.053 205 G CA 0.324 45.412 45.100 -0.019 0.000 0.625 205 G HN 0.504 nan 8.290 nan 0.000 0.511 206 V N 0.604 120.514 119.914 -0.006 0.000 2.439 206 V HA 0.040 4.160 4.120 -0.000 0.000 0.253 206 V C 1.556 177.670 176.094 0.033 0.000 1.074 206 V CA 2.013 64.322 62.300 0.014 0.000 1.076 206 V CB -0.593 31.233 31.823 0.005 0.000 0.664 206 V HN 0.567 nan 8.190 nan 0.000 0.461 207 I N 1.096 121.679 120.570 0.021 0.000 2.436 207 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 207 I C -0.505 175.618 176.117 0.010 0.000 1.010 207 I CA -0.327 60.997 61.300 0.041 0.000 1.098 207 I CB 1.704 39.749 38.000 0.075 0.000 1.266 207 I HN 0.062 nan 8.210 nan 0.000 0.434 208 N N 6.604 125.320 118.700 0.026 0.000 2.483 208 N HA 0.378 5.118 4.740 -0.000 0.000 0.267 208 N C 0.314 175.837 175.510 0.021 0.000 0.998 208 N CA -0.500 52.557 53.050 0.011 0.000 0.918 208 N CB 1.435 39.931 38.487 0.015 0.000 1.215 208 N HN 0.569 nan 8.380 nan 0.000 0.500 209 L N 1.663 122.890 121.223 0.007 0.000 2.191 209 L HA 0.028 4.368 4.340 -0.000 0.000 0.212 209 L C 1.280 178.162 176.870 0.021 0.000 1.103 209 L CA 1.439 56.292 54.840 0.021 0.000 0.769 209 L CB -0.328 41.733 42.059 0.004 0.000 0.908 209 L HN 0.684 nan 8.230 nan 0.000 0.438 210 E N 0.373 120.580 120.200 0.012 0.000 3.588 210 E HA 0.522 4.872 4.350 -0.000 0.000 0.213 210 E C 0.371 176.980 176.600 0.015 0.000 1.168 210 E CA 0.249 56.656 56.400 0.013 0.000 1.254 210 E CB 0.285 29.988 29.700 0.006 0.000 1.302 210 E HN 0.426 nan 8.360 nan 0.000 0.429 211 G N 0.078 108.892 108.800 0.023 0.000 2.419 211 G HA2 0.128 4.088 3.960 -0.000 0.000 0.061 211 G HA3 0.128 4.088 3.960 -0.000 0.000 0.061 211 G C -1.295 173.628 174.900 0.037 0.000 0.907 211 G CA -0.373 44.742 45.100 0.026 0.000 1.174 211 G HN 0.173 nan 8.290 nan 0.000 0.468 212 E N 1.460 121.683 120.200 0.040 0.000 2.141 212 E HA 0.596 4.946 4.350 -0.000 0.000 0.259 212 E C -1.025 175.614 176.600 0.064 0.000 0.883 212 E CA -0.250 56.183 56.400 0.056 0.000 0.744 212 E CB 1.553 31.284 29.700 0.053 0.000 1.150 212 E HN 0.293 nan 8.360 nan 0.000 0.420 213 S N 2.401 118.150 115.700 0.083 0.000 2.451 213 S HA 0.277 4.747 4.470 -0.000 0.000 0.301 213 S C 0.867 175.545 174.600 0.130 0.000 1.116 213 S CA -0.718 57.536 58.200 0.091 0.000 1.093 213 S CB 2.271 65.525 63.200 0.089 0.000 1.017 213 S HN 0.396 nan 8.310 nan 0.000 0.482 214 K N 1.597 122.073 120.400 0.126 0.000 2.367 214 K HA 0.312 4.632 4.320 -0.000 0.000 0.194 214 K C -0.013 176.697 176.600 0.183 0.000 1.027 214 K CA 0.213 56.602 56.287 0.171 0.000 1.075 214 K CB 0.411 32.968 32.500 0.096 0.000 0.845 214 K HN 0.449 nan 8.250 nan 0.000 0.529 215 V N 0.175 120.173 119.914 0.140 0.000 3.001 215 V HA 0.699 4.819 4.120 -0.000 0.000 0.314 215 V C -1.615 174.551 176.094 0.121 0.000 1.099 215 V CA -0.846 61.535 62.300 0.136 0.000 0.989 215 V CB 1.997 33.891 31.823 0.119 0.000 1.040 215 V HN 0.120 nan 8.190 nan 0.000 0.434 216 A N 5.219 128.113 122.820 0.124 0.000 2.350 216 A HA 0.876 5.196 4.320 -0.000 0.000 0.324 216 A C -1.365 176.245 177.584 0.044 0.000 1.118 216 A CA -0.626 51.464 52.037 0.087 0.000 0.783 216 A CB 1.254 20.319 19.000 0.109 0.000 1.236 216 A HN 0.766 nan 8.150 nan 0.000 0.457 217 L N 2.604 123.810 121.223 -0.028 0.000 2.333 217 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 217 L C -1.024 175.701 176.870 -0.241 0.000 1.004 217 L CA -0.844 53.900 54.840 -0.160 0.000 0.820 217 L CB 1.749 43.696 42.059 -0.186 0.000 1.247 217 L HN 0.442 nan 8.230 nan 0.000 0.416 218 V N 3.403 123.107 119.914 -0.351 0.000 2.588 218 V HA 0.536 4.656 4.120 -0.000 0.000 0.304 218 V C -0.837 175.008 176.094 -0.415 0.000 1.042 218 V CA -0.495 61.643 62.300 -0.271 0.000 0.877 218 V CB 2.068 33.803 31.823 -0.146 0.000 0.996 218 V HN 0.374 nan 8.190 nan 0.000 0.425 219 F N 1.680 121.650 119.950 0.034 0.000 2.565 219 F HA 0.853 5.380 4.527 -0.000 0.000 0.313 219 F C 0.549 176.362 175.800 0.021 0.000 1.091 219 F CA -0.972 57.053 58.000 0.042 0.000 0.915 219 F CB 2.626 41.646 39.000 0.034 0.000 1.208 219 F HN 0.561 nan 8.300 nan 0.000 0.453 220 G N 3.266 112.232 108.800 0.277 0.000 2.618 220 G HA2 0.479 4.439 3.960 -0.000 0.000 0.289 220 G HA3 0.479 4.439 3.960 -0.000 0.000 0.289 220 G C -1.336 173.644 174.900 0.133 0.000 1.493 220 G CA -0.537 44.653 45.100 0.150 0.000 1.133 220 G HN 0.272 nan 8.290 nan 0.000 0.578 221 Q N 1.569 121.424 119.800 0.091 0.000 2.207 221 Q HA 0.354 4.694 4.340 -0.000 0.000 0.237 221 Q C 1.790 177.810 176.000 0.033 0.000 0.998 221 Q CA -1.071 54.765 55.803 0.056 0.000 0.951 221 Q CB 1.212 29.946 28.738 -0.007 0.000 1.213 221 Q HN 0.771 nan 8.270 nan 0.000 0.499 222 M N -0.436 119.177 119.600 0.022 0.000 2.748 222 M HA -0.032 4.448 4.480 -0.000 0.000 0.241 222 M C 0.646 176.950 176.300 0.007 0.000 1.080 222 M CA 1.052 56.361 55.300 0.015 0.000 1.068 222 M CB -0.516 32.089 32.600 0.008 0.000 1.536 222 M HN 0.400 nan 8.290 nan 0.000 0.540 223 N N 0.393 119.096 118.700 0.005 0.000 2.395 223 N HA 0.005 4.745 4.740 -0.000 0.000 0.175 223 N C -0.075 175.440 175.510 0.008 0.000 1.029 223 N CA 0.251 53.302 53.050 0.003 0.000 0.897 223 N CB -0.177 38.308 38.487 -0.004 0.000 0.991 223 N HN 0.445 nan 8.380 nan 0.000 0.441 224 E N 2.759 122.968 120.200 0.016 0.000 2.383 224 E HA 0.228 4.578 4.350 -0.000 0.000 0.264 224 E C -2.020 174.590 176.600 0.016 0.000 1.050 224 E CA -1.671 54.741 56.400 0.020 0.000 0.896 224 E CB 0.511 30.230 29.700 0.031 0.000 0.982 224 E HN 0.288 nan 8.360 nan 0.000 0.424 225 P HA 0.046 nan 4.420 nan 0.000 0.272 225 P C -1.946 175.360 177.300 0.011 0.000 1.240 225 P CA -1.157 61.950 63.100 0.010 0.000 0.791 225 P CB -0.003 31.704 31.700 0.011 0.000 0.978 226 P HA -0.214 nan 4.420 nan 0.000 0.217 226 P C 1.661 178.964 177.300 0.005 0.000 1.151 226 P CA 2.183 65.281 63.100 -0.004 0.000 0.849 226 P CB -0.763 30.929 31.700 -0.014 0.000 0.787 227 G N 0.216 109.024 108.800 0.014 0.000 2.418 227 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 227 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 227 G C 1.805 176.727 174.900 0.037 0.000 1.158 227 G CA 1.161 46.277 45.100 0.027 0.000 0.771 227 G HN 0.389 nan 8.290 nan 0.000 0.545 228 A N 0.648 123.488 122.820 0.033 0.000 1.873 228 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 228 A C 2.401 180.013 177.584 0.046 0.000 1.186 228 A CA 1.566 53.626 52.037 0.038 0.000 0.616 228 A CB -0.385 18.636 19.000 0.035 0.000 0.823 228 A HN 0.309 nan 8.150 nan 0.000 0.442 229 R N -0.586 119.938 120.500 0.041 0.000 2.189 229 R HA -0.005 4.335 4.340 -0.000 0.000 0.223 229 R C 2.229 178.570 176.300 0.068 0.000 1.092 229 R CA 0.909 57.039 56.100 0.050 0.000 0.989 229 R CB -0.299 30.020 30.300 0.031 0.000 0.876 229 R HN 0.536 nan 8.270 nan 0.000 0.457 230 A N 0.494 123.347 122.820 0.055 0.000 1.929 230 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 230 A C 1.826 179.523 177.584 0.189 0.000 1.176 230 A CA 0.959 53.040 52.037 0.073 0.000 0.628 230 A CB 0.026 19.038 19.000 0.019 0.000 0.816 230 A HN 0.089 nan 8.150 nan 0.000 0.444 231 R N -1.332 119.235 120.500 0.113 0.000 2.254 231 R HA 0.131 4.471 4.340 -0.000 0.000 0.193 231 R C 1.824 178.129 176.300 0.010 0.000 0.929 231 R CA 0.771 56.911 56.100 0.066 0.000 1.038 231 R CB -0.776 29.547 30.300 0.039 0.000 1.009 231 R HN 0.360 nan 8.270 nan 0.000 0.512 232 V N 1.777 121.708 119.914 0.029 0.000 2.469 232 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 232 V C 2.231 178.293 176.094 -0.054 0.000 1.064 232 V CA 2.108 64.407 62.300 -0.002 0.000 1.066 232 V CB -0.404 31.439 31.823 0.034 0.000 0.667 232 V HN 0.324 nan 8.190 nan 0.000 0.461 233 A N -0.516 122.260 122.820 -0.074 0.000 1.972 233 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 233 A C 2.107 179.563 177.584 -0.213 0.000 1.169 233 A CA 1.880 53.810 52.037 -0.178 0.000 0.635 233 A CB -0.450 18.374 19.000 -0.295 0.000 0.810 233 A HN 0.583 nan 8.150 nan 0.000 0.446 234 L N -0.985 120.118 121.223 -0.202 0.000 2.056 234 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 234 L C 2.745 179.519 176.870 -0.161 0.000 1.078 234 L CA 1.720 56.433 54.840 -0.212 0.000 0.749 234 L CB -1.236 40.665 42.059 -0.263 0.000 0.901 234 L HN 0.311 nan 8.230 nan 0.000 0.433 235 T N 0.059 114.537 114.554 -0.126 0.000 2.684 235 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 235 T C 1.854 176.495 174.700 -0.098 0.000 1.036 235 T CA 1.556 63.596 62.100 -0.098 0.000 1.148 235 T CB -0.553 68.272 68.868 -0.071 0.000 0.863 235 T HN 0.574 nan 8.240 nan 0.000 0.436 236 G N 1.326 110.062 108.800 -0.107 0.000 2.418 236 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 236 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 236 G C 1.523 176.367 174.900 -0.094 0.000 1.158 236 G CA 0.762 45.801 45.100 -0.103 0.000 0.771 236 G HN 0.402 nan 8.290 nan 0.000 0.545 237 L N 1.256 122.405 121.223 -0.124 0.000 1.994 237 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 237 L C 2.868 179.695 176.870 -0.072 0.000 1.071 237 L CA 2.745 57.516 54.840 -0.114 0.000 0.745 237 L CB -1.275 40.688 42.059 -0.159 0.000 0.892 237 L HN 0.204 nan 8.230 nan 0.000 0.431 238 T N 0.387 114.892 114.554 -0.081 0.000 2.653 238 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 238 T C 1.997 176.672 174.700 -0.041 0.000 1.035 238 T CA 2.302 64.367 62.100 -0.059 0.000 1.154 238 T CB -0.468 68.355 68.868 -0.074 0.000 0.862 238 T HN 0.371 nan 8.240 nan 0.000 0.441 239 I N 1.317 121.852 120.570 -0.059 0.000 2.127 239 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 239 I C 2.980 179.120 176.117 0.039 0.000 1.075 239 I CA 1.373 62.629 61.300 -0.072 0.000 1.334 239 I CB -0.610 37.359 38.000 -0.052 0.000 1.040 239 I HN 0.216 nan 8.210 nan 0.000 0.405 240 A N 0.284 123.164 122.820 0.100 0.000 1.917 240 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 240 A C 2.210 179.886 177.584 0.154 0.000 1.182 240 A CA 1.988 54.131 52.037 0.177 0.000 0.633 240 A CB -0.731 18.314 19.000 0.075 0.000 0.819 240 A HN 0.480 nan 8.150 nan 0.000 0.448 241 E N -1.757 118.485 120.200 0.070 0.000 2.070 241 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 241 E C 1.879 178.524 176.600 0.076 0.000 1.004 241 E CA 1.737 58.167 56.400 0.051 0.000 0.805 241 E CB -0.335 29.373 29.700 0.013 0.000 0.744 241 E HN 0.850 nan 8.360 nan 0.000 0.451 242 Y N -0.066 120.189 120.300 -0.075 0.000 2.200 242 Y HA -0.238 4.312 4.550 -0.000 0.000 0.290 242 Y C 1.910 177.766 175.900 -0.073 0.000 1.137 242 Y CA 1.261 59.285 58.100 -0.128 0.000 1.163 242 Y CB -0.148 38.159 38.460 -0.254 0.000 0.988 242 Y HN -0.053 nan 8.280 nan 0.000 0.518 243 F N 0.823 120.924 119.950 0.252 0.000 2.216 243 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 243 F C 2.692 178.543 175.800 0.085 0.000 1.085 243 F CA 1.694 59.800 58.000 0.176 0.000 1.326 243 F CB -0.631 38.479 39.000 0.184 0.000 1.027 243 F HN 0.063 nan 8.300 nan 0.000 0.497 244 R N 0.087 120.722 120.500 0.226 0.000 2.093 244 R HA -0.099 4.240 4.340 -0.000 0.000 0.224 244 R C 1.299 177.616 176.300 0.027 0.000 1.101 244 R CA 1.666 57.835 56.100 0.115 0.000 0.979 244 R CB -0.136 30.209 30.300 0.075 0.000 0.877 244 R HN 0.141 nan 8.270 nan 0.000 0.441 245 D N -0.524 119.849 120.400 -0.044 0.000 2.355 245 D HA -0.020 4.620 4.640 -0.000 0.000 0.206 245 D C 1.303 177.492 176.300 -0.185 0.000 1.010 245 D CA 0.537 54.478 54.000 -0.099 0.000 0.875 245 D CB 0.492 41.235 40.800 -0.095 0.000 0.966 245 D HN 0.157 nan 8.370 nan 0.000 0.512 246 E N 0.685 120.677 120.200 -0.347 0.000 2.192 246 E HA 0.052 4.402 4.350 -0.000 0.000 0.196 246 E C 1.668 178.135 176.600 -0.222 0.000 0.922 246 E CA 0.447 56.574 56.400 -0.456 0.000 0.924 246 E CB -0.106 28.904 29.700 -1.151 0.000 0.911 246 E HN 0.259 nan 8.360 nan 0.000 0.478 247 E N 0.699 120.831 120.200 -0.113 0.000 2.502 247 E HA 0.070 4.420 4.350 -0.000 0.000 0.194 247 E C 0.607 177.284 176.600 0.128 0.000 1.062 247 E CA 0.542 57.017 56.400 0.126 0.000 0.867 247 E CB 0.081 30.022 29.700 0.401 0.000 0.888 247 E HN 0.305 nan 8.360 nan 0.000 0.510 248 G N 2.689 111.526 108.800 0.062 0.000 2.416 248 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.301 248 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.301 248 G C 0.232 175.181 174.900 0.083 0.000 0.985 248 G CA 0.994 46.125 45.100 0.052 0.000 0.934 248 G HN 0.261 nan 8.290 nan 0.000 0.513 249 Q N -0.436 119.455 119.800 0.151 0.000 2.166 249 Q HA 0.529 4.869 4.340 -0.000 0.000 0.226 249 Q C -0.192 175.866 176.000 0.096 0.000 0.989 249 Q CA -0.684 55.187 55.803 0.113 0.000 0.966 249 Q CB 0.714 29.538 28.738 0.145 0.000 1.173 249 Q HN 0.173 nan 8.270 nan 0.000 0.509 250 D N 0.759 121.195 120.400 0.060 0.000 2.380 250 D HA 0.235 4.875 4.640 -0.000 0.000 0.230 250 D C -0.986 175.423 176.300 0.183 0.000 1.154 250 D CA -0.002 54.062 54.000 0.106 0.000 0.859 250 D CB 0.624 41.477 40.800 0.088 0.000 1.045 250 D HN 0.223 nan 8.370 nan 0.000 0.495 251 V N 3.201 123.183 119.914 0.114 0.000 2.539 251 V HA 0.398 4.518 4.120 -0.000 0.000 0.292 251 V C 0.537 176.596 176.094 -0.059 0.000 1.045 251 V CA -0.860 61.485 62.300 0.076 0.000 0.945 251 V CB 1.748 33.641 31.823 0.116 0.000 0.993 251 V HN 0.288 nan 8.190 nan 0.000 0.464 252 L N 4.846 125.988 121.223 -0.134 0.000 2.296 252 L HA 0.544 4.884 4.340 -0.000 0.000 0.286 252 L C -0.819 175.902 176.870 -0.248 0.000 1.023 252 L CA -0.577 54.079 54.840 -0.308 0.000 0.812 252 L CB 1.676 43.515 42.059 -0.367 0.000 1.223 252 L HN 0.480 nan 8.230 nan 0.000 0.421 253 L N 4.467 125.461 121.223 -0.381 0.000 2.366 253 L HA 0.500 4.840 4.340 -0.000 0.000 0.266 253 L C -1.016 175.615 176.870 -0.398 0.000 1.010 253 L CA 0.023 54.704 54.840 -0.264 0.000 0.879 253 L CB 0.639 42.587 42.059 -0.185 0.000 1.228 253 L HN 0.176 nan 8.230 nan 0.000 0.439 254 F N 5.538 125.414 119.950 -0.124 0.000 2.420 254 F HA 0.509 5.036 4.527 -0.000 0.000 0.352 254 F C 0.363 175.874 175.800 -0.480 0.000 1.108 254 F CA -0.103 57.780 58.000 -0.196 0.000 1.162 254 F CB 0.888 39.901 39.000 0.022 0.000 1.118 254 F HN 0.244 nan 8.300 nan 0.000 0.510 255 I N 3.069 123.496 120.570 -0.238 0.000 2.466 255 I HA 0.290 4.459 4.170 -0.000 0.000 0.289 255 I C -1.304 174.684 176.117 -0.214 0.000 1.026 255 I CA -0.567 60.543 61.300 -0.317 0.000 1.078 255 I CB 2.070 39.931 38.000 -0.233 0.000 1.249 255 I HN 0.437 nan 8.210 nan 0.000 0.429 256 D N 6.029 126.297 120.400 -0.220 0.000 2.478 256 D HA 0.243 4.883 4.640 -0.000 0.000 0.240 256 D C -1.468 174.862 176.300 0.050 0.000 1.364 256 D CA -0.325 53.665 54.000 -0.017 0.000 0.987 256 D CB 1.282 42.152 40.800 0.118 0.000 1.328 256 D HN 0.365 nan 8.370 nan 0.000 0.584 257 N N 4.023 122.770 118.700 0.078 0.000 2.284 257 N HA 0.222 4.962 4.740 -0.000 0.000 0.300 257 N C 0.689 176.257 175.510 0.097 0.000 1.047 257 N CA -0.512 52.592 53.050 0.090 0.000 0.821 257 N CB 1.814 40.394 38.487 0.155 0.000 1.337 257 N HN 0.371 nan 8.380 nan 0.000 0.482 258 I N 3.630 124.230 120.570 0.050 0.000 2.394 258 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 258 I C 1.827 178.043 176.117 0.165 0.000 1.136 258 I CA 0.907 62.236 61.300 0.048 0.000 1.425 258 I CB -0.432 37.533 38.000 -0.057 0.000 1.079 258 I HN 0.642 nan 8.210 nan 0.000 0.425 259 F N 1.642 121.631 119.950 0.065 0.000 2.120 259 F HA -0.279 4.248 4.527 -0.000 0.000 0.300 259 F C 2.369 178.251 175.800 0.136 0.000 1.095 259 F CA 1.608 59.682 58.000 0.123 0.000 1.249 259 F CB -0.377 38.735 39.000 0.187 0.000 0.995 259 F HN -0.026 nan 8.300 nan 0.000 0.480 260 R N 0.040 120.596 120.500 0.093 0.000 2.159 260 R HA -0.225 4.115 4.340 -0.000 0.000 0.237 260 R C 2.171 178.434 176.300 -0.062 0.000 1.131 260 R CA 1.563 57.650 56.100 -0.022 0.000 0.982 260 R CB -1.778 28.588 30.300 0.111 0.000 0.868 260 R HN 0.490 nan 8.270 nan 0.000 0.453 261 F N 2.069 121.943 119.950 -0.125 0.000 2.095 261 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 261 F C 1.964 177.682 175.800 -0.136 0.000 1.104 261 F CA 1.912 59.845 58.000 -0.111 0.000 1.232 261 F CB -0.563 38.380 39.000 -0.095 0.000 0.987 261 F HN -0.103 nan 8.300 nan 0.000 0.475 262 T N 0.175 114.465 114.554 -0.441 0.000 2.812 262 T HA -0.213 4.137 4.350 -0.000 0.000 0.264 262 T C 1.899 176.375 174.700 -0.373 0.000 1.042 262 T CA 1.362 63.155 62.100 -0.511 0.000 1.140 262 T CB -0.448 68.248 68.868 -0.287 0.000 0.870 262 T HN 0.452 nan 8.240 nan 0.000 0.445 263 Q N 0.862 120.378 119.800 -0.474 0.000 2.096 263 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 263 Q C 2.424 178.302 176.000 -0.203 0.000 0.982 263 Q CA 1.672 57.263 55.803 -0.355 0.000 0.850 263 Q CB -0.297 28.152 28.738 -0.482 0.000 0.901 263 Q HN 0.554 nan 8.270 nan 0.000 0.422 264 A N 0.149 122.850 122.820 -0.198 0.000 1.968 264 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 264 A C 2.229 179.729 177.584 -0.141 0.000 1.169 264 A CA 1.313 53.273 52.037 -0.128 0.000 0.638 264 A CB -1.056 17.893 19.000 -0.084 0.000 0.812 264 A HN 0.600 nan 8.150 nan 0.000 0.446 265 G N -0.659 108.003 108.800 -0.230 0.000 2.440 265 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 265 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 265 G C 1.917 176.744 174.900 -0.121 0.000 1.154 265 G CA 1.476 46.449 45.100 -0.211 0.000 0.767 265 G HN 0.545 nan 8.290 nan 0.000 0.552 266 S N 0.369 116.005 115.700 -0.108 0.000 2.383 266 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 266 S C 2.252 176.805 174.600 -0.077 0.000 1.030 266 S CA 1.910 60.066 58.200 -0.074 0.000 1.002 266 S CB -0.310 62.827 63.200 -0.106 0.000 0.829 266 S HN 0.613 nan 8.310 nan 0.000 0.467 267 E N 0.257 120.410 120.200 -0.078 0.000 2.150 267 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 267 E C 2.208 178.784 176.600 -0.040 0.000 0.985 267 E CA 1.500 57.866 56.400 -0.056 0.000 0.814 267 E CB -0.198 29.473 29.700 -0.049 0.000 0.752 267 E HN 0.682 nan 8.360 nan 0.000 0.466 268 V N -1.244 118.646 119.914 -0.041 0.000 2.535 268 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 268 V C 2.366 178.447 176.094 -0.021 0.000 1.045 268 V CA 1.457 63.742 62.300 -0.025 0.000 1.058 268 V CB -0.309 31.503 31.823 -0.019 0.000 0.689 268 V HN 0.111 nan 8.190 nan 0.000 0.461 269 S N 1.156 116.839 115.700 -0.028 0.000 2.392 269 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 269 S C 2.119 176.711 174.600 -0.013 0.000 1.041 269 S CA 2.118 60.307 58.200 -0.018 0.000 1.026 269 S CB -0.618 62.571 63.200 -0.018 0.000 0.845 269 S HN 0.972 nan 8.310 nan 0.000 0.465 270 A N 1.063 123.872 122.820 -0.019 0.000 1.845 270 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 270 A C 2.066 179.644 177.584 -0.009 0.000 1.195 270 A CA 1.551 53.579 52.037 -0.016 0.000 0.616 270 A CB -0.855 18.131 19.000 -0.023 0.000 0.832 270 A HN 0.554 nan 8.150 nan 0.000 0.443 271 L N -0.524 120.694 121.223 -0.009 0.000 2.610 271 L HA 0.104 4.444 4.340 -0.000 0.000 0.232 271 L C 1.381 178.252 176.870 0.002 0.000 1.149 271 L CA 0.181 55.019 54.840 -0.003 0.000 0.872 271 L CB -0.051 42.005 42.059 -0.004 0.000 0.992 271 L HN 0.310 nan 8.230 nan 0.000 0.447 272 L N -0.373 120.851 121.223 0.002 0.000 2.628 272 L HA 0.261 4.601 4.340 -0.000 0.000 0.229 272 L C 1.126 178.001 176.870 0.009 0.000 1.137 272 L CA 0.027 54.872 54.840 0.008 0.000 0.909 272 L CB -0.182 41.882 42.059 0.008 0.000 1.137 272 L HN 0.337 nan 8.230 nan 0.000 0.470 273 G N 1.295 110.098 108.800 0.005 0.000 2.333 273 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.296 273 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.296 273 G C -0.064 174.840 174.900 0.007 0.000 1.059 273 G CA -0.086 45.018 45.100 0.006 0.000 1.050 273 G HN 0.316 nan 8.290 nan 0.000 0.508 274 R N -0.471 120.032 120.500 0.005 0.000 2.295 274 R HA 0.530 4.869 4.340 -0.000 0.000 0.324 274 R C 1.178 177.482 176.300 0.007 0.000 0.968 274 R CA -0.863 55.240 56.100 0.006 0.000 0.837 274 R CB 0.833 31.136 30.300 0.006 0.000 1.133 274 R HN 0.374 nan 8.270 nan 0.000 0.450 275 I N 5.840 126.416 120.570 0.009 0.000 2.845 275 I HA -0.046 4.124 4.170 -0.000 0.000 0.290 275 I C -1.673 174.452 176.117 0.014 0.000 1.202 275 I CA -0.989 60.317 61.300 0.010 0.000 1.406 275 I CB 0.099 38.105 38.000 0.011 0.000 1.383 275 I HN 0.300 nan 8.210 nan 0.000 0.549 276 P HA 0.058 nan 4.420 nan 0.000 0.271 276 P C -0.202 177.118 177.300 0.034 0.000 1.216 276 P CA -0.156 62.956 63.100 0.019 0.000 0.776 276 P CB 0.871 32.574 31.700 0.005 0.000 0.881 277 S N 2.123 117.856 115.700 0.056 0.000 2.655 277 S HA 0.585 5.055 4.470 -0.000 0.000 0.265 277 S C 0.095 174.751 174.600 0.092 0.000 1.240 277 S CA -0.452 57.791 58.200 0.072 0.000 0.986 277 S CB 0.062 63.313 63.200 0.086 0.000 0.985 277 S HN 0.556 nan 8.310 nan 0.000 0.562 278 A N 0.944 123.820 122.820 0.093 0.000 2.587 278 A HA 0.315 4.635 4.320 -0.000 0.000 0.233 278 A C 1.289 178.975 177.584 0.170 0.000 1.049 278 A CA 0.476 52.575 52.037 0.103 0.000 0.754 278 A CB -0.881 18.170 19.000 0.085 0.000 0.977 278 A HN 1.789 nan 8.150 nan 0.000 0.509 279 V N 0.964 120.959 119.914 0.134 0.000 1.963 279 V HA -0.339 3.781 4.120 -0.000 0.000 0.089 279 V C 1.896 178.013 176.094 0.038 0.000 0.495 279 V CA 2.201 64.589 62.300 0.147 0.000 1.412 279 V CB -2.215 29.773 31.823 0.276 0.000 1.645 279 V HN 2.970 nan 8.190 nan 0.000 0.889 280 G N -2.903 105.909 108.800 0.021 0.000 2.179 280 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 280 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 280 G C -0.163 174.647 174.900 -0.150 0.000 0.990 280 G CA 0.074 45.120 45.100 -0.090 0.000 0.646 280 G HN 0.779 nan 8.290 nan 0.000 0.517 281 Y N 2.363 122.672 120.300 0.015 0.000 2.330 281 Y HA 0.412 4.962 4.550 -0.000 0.000 0.341 281 Y C 1.494 177.385 175.900 -0.014 0.000 1.278 281 Y CA 0.029 58.126 58.100 -0.005 0.000 1.453 281 Y CB 0.425 38.887 38.460 0.003 0.000 1.342 281 Y HN 0.394 nan 8.280 nan 0.000 0.590 282 Q N 2.948 122.833 119.800 0.141 0.000 2.369 282 Q HA -0.029 4.311 4.340 -0.000 0.000 0.295 282 Q C -2.216 173.826 176.000 0.071 0.000 1.075 282 Q CA -1.166 54.677 55.803 0.066 0.000 0.941 282 Q CB 0.340 29.092 28.738 0.025 0.000 1.260 282 Q HN 0.404 nan 8.270 nan 0.000 0.417 283 P HA -0.122 nan 4.420 nan 0.000 0.218 283 P C 1.009 178.327 177.300 0.029 0.000 1.149 283 P CA 1.723 64.845 63.100 0.037 0.000 0.817 283 P CB -0.206 31.510 31.700 0.026 0.000 0.785 284 T N -3.444 111.123 114.554 0.021 0.000 3.252 284 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 284 T C 1.589 176.297 174.700 0.013 0.000 1.123 284 T CA -0.188 61.922 62.100 0.016 0.000 1.006 284 T CB -1.040 67.834 68.868 0.009 0.000 0.992 284 T HN -0.024 nan 8.240 nan 0.000 0.547 285 L N 0.917 122.147 121.223 0.012 0.000 1.956 285 L HA -0.124 4.216 4.340 -0.000 0.000 0.216 285 L C 2.936 179.819 176.870 0.020 0.000 1.073 285 L CA 2.037 56.872 54.840 -0.009 0.000 0.762 285 L CB -0.922 41.116 42.059 -0.034 0.000 0.889 285 L HN 0.419 nan 8.230 nan 0.000 0.433 286 A N -0.517 122.326 122.820 0.039 0.000 1.908 286 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 286 A C 2.279 179.925 177.584 0.103 0.000 1.181 286 A CA 2.623 54.708 52.037 0.079 0.000 0.627 286 A CB -1.249 17.788 19.000 0.061 0.000 0.818 286 A HN 0.682 nan 8.150 nan 0.000 0.445 287 T N -1.693 112.905 114.554 0.074 0.000 2.746 287 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 287 T C 1.437 176.194 174.700 0.094 0.000 1.039 287 T CA 1.426 63.573 62.100 0.077 0.000 1.142 287 T CB -0.587 68.313 68.868 0.054 0.000 0.866 287 T HN 0.396 nan 8.240 nan 0.000 0.444 288 D N 1.165 121.617 120.400 0.087 0.000 2.103 288 D HA -0.110 4.530 4.640 -0.000 0.000 0.190 288 D C 2.012 178.459 176.300 0.244 0.000 0.997 288 D CA 1.531 55.610 54.000 0.132 0.000 0.833 288 D CB -0.471 40.334 40.800 0.009 0.000 0.961 288 D HN 0.362 nan 8.370 nan 0.000 0.447 289 M N 0.911 120.638 119.600 0.211 0.000 2.067 289 M HA -0.029 4.451 4.480 -0.000 0.000 0.260 289 M C 2.059 178.347 176.300 -0.019 0.000 1.069 289 M CA 2.230 57.646 55.300 0.194 0.000 1.117 289 M CB -0.857 31.839 32.600 0.160 0.000 1.334 289 M HN 0.007 nan 8.290 nan 0.000 0.407 290 G N 0.498 109.353 108.800 0.093 0.000 2.529 290 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 290 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 290 G C 1.586 176.495 174.900 0.016 0.000 1.177 290 G CA 1.373 46.542 45.100 0.115 0.000 0.773 290 G HN 0.515 nan 8.290 nan 0.000 0.573 291 L N -0.442 120.809 121.223 0.045 0.000 2.189 291 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 291 L C 2.695 179.543 176.870 -0.036 0.000 1.097 291 L CA 0.879 55.738 54.840 0.032 0.000 0.764 291 L CB -0.144 41.962 42.059 0.077 0.000 0.900 291 L HN 0.342 nan 8.230 nan 0.000 0.436 292 L N -1.646 119.512 121.223 -0.109 0.000 2.200 292 L HA -0.070 4.270 4.340 -0.000 0.000 0.200 292 L C 2.534 179.254 176.870 -0.250 0.000 1.072 292 L CA 0.893 55.589 54.840 -0.239 0.000 0.787 292 L CB -0.275 41.490 42.059 -0.489 0.000 0.957 292 L HN 0.079 nan 8.230 nan 0.000 0.459 293 Q N 0.374 119.982 119.800 -0.321 0.000 2.170 293 Q HA -0.185 4.155 4.340 -0.000 0.000 0.203 293 Q C 1.919 177.826 176.000 -0.155 0.000 0.976 293 Q CA 1.386 56.988 55.803 -0.336 0.000 0.858 293 Q CB -0.291 28.000 28.738 -0.744 0.000 0.907 293 Q HN 0.630 nan 8.270 nan 0.000 0.433 294 E N 0.199 120.345 120.200 -0.091 0.000 2.358 294 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 294 E C 1.889 178.471 176.600 -0.029 0.000 1.010 294 E CA 0.218 56.613 56.400 -0.008 0.000 0.856 294 E CB 0.071 29.795 29.700 0.039 0.000 0.795 294 E HN 0.338 nan 8.360 nan 0.000 0.504 295 R N 0.410 120.872 120.500 -0.063 0.000 2.093 295 R HA 0.093 4.433 4.340 -0.000 0.000 0.224 295 R C 1.042 177.302 176.300 -0.067 0.000 1.101 295 R CA 0.342 56.406 56.100 -0.060 0.000 0.979 295 R CB -0.034 30.219 30.300 -0.078 0.000 0.877 295 R HN 0.050 nan 8.270 nan 0.000 0.441 296 I N 1.919 122.433 120.570 -0.094 0.000 2.455 296 I HA -0.025 4.145 4.170 -0.000 0.000 0.303 296 I C 0.143 176.223 176.117 -0.063 0.000 1.180 296 I CA 0.580 61.826 61.300 -0.091 0.000 1.469 296 I CB 0.249 38.171 38.000 -0.130 0.000 1.480 296 I HN -0.028 nan 8.210 nan 0.000 0.669 297 T N 3.011 117.539 114.554 -0.044 0.000 2.868 297 T HA 0.345 4.695 4.350 -0.000 0.000 0.306 297 T C -0.488 174.196 174.700 -0.026 0.000 1.224 297 T CA -0.419 61.663 62.100 -0.030 0.000 1.012 297 T CB 1.764 70.622 68.868 -0.017 0.000 1.221 297 T HN 0.256 nan 8.240 nan 0.000 0.499 298 T N 2.797 117.335 114.554 -0.025 0.000 2.738 298 T HA 0.513 4.863 4.350 -0.000 0.000 0.298 298 T C 0.158 174.841 174.700 -0.029 0.000 0.962 298 T CA -0.114 61.972 62.100 -0.023 0.000 0.972 298 T CB 0.879 69.734 68.868 -0.021 0.000 0.928 298 T HN 0.650 nan 8.240 nan 0.000 0.474 299 T N 1.862 116.401 114.554 -0.025 0.000 2.892 299 T HA 0.308 4.658 4.350 -0.000 0.000 0.280 299 T C 1.436 176.117 174.700 -0.031 0.000 1.004 299 T CA -0.813 61.268 62.100 -0.031 0.000 0.950 299 T CB 0.635 69.487 68.868 -0.026 0.000 1.309 299 T HN 0.366 nan 8.240 nan 0.000 0.592 300 K N 0.632 121.012 120.400 -0.034 0.000 2.155 300 K HA 0.048 4.368 4.320 -0.000 0.000 0.203 300 K C 1.946 178.533 176.600 -0.022 0.000 1.052 300 K CA 1.067 57.336 56.287 -0.030 0.000 0.948 300 K CB -0.143 32.337 32.500 -0.033 0.000 0.728 300 K HN 0.486 nan 8.250 nan 0.000 0.448 301 K N 0.443 120.831 120.400 -0.021 0.000 2.432 301 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 301 K C 0.795 177.391 176.600 -0.007 0.000 1.038 301 K CA 0.441 56.718 56.287 -0.018 0.000 0.986 301 K CB 0.358 32.843 32.500 -0.026 0.000 0.782 301 K HN 0.287 nan 8.250 nan 0.000 0.485 302 G N -0.645 108.153 108.800 -0.003 0.000 2.333 302 G HA2 0.154 4.114 3.960 -0.000 0.000 0.288 302 G HA3 0.154 4.114 3.960 -0.000 0.000 0.288 302 G C -1.663 173.243 174.900 0.010 0.000 1.286 302 G CA -0.624 44.483 45.100 0.012 0.000 0.865 302 G HN -0.075 nan 8.290 nan 0.000 0.506 303 S N -1.599 114.115 115.700 0.023 0.000 2.536 303 S HA 0.671 5.141 4.470 -0.000 0.000 0.271 303 S C -1.321 173.291 174.600 0.021 0.000 1.134 303 S CA -0.437 57.771 58.200 0.014 0.000 0.897 303 S CB 1.845 65.052 63.200 0.011 0.000 1.094 303 S HN 1.289 nan 8.310 nan 0.000 0.473 304 V N 4.092 124.003 119.914 -0.004 0.000 2.409 304 V HA 0.512 4.632 4.120 -0.000 0.000 0.291 304 V C -0.124 175.932 176.094 -0.064 0.000 1.020 304 V CA -0.491 61.793 62.300 -0.027 0.000 0.848 304 V CB 1.710 33.513 31.823 -0.034 0.000 0.990 304 V HN 0.956 nan 8.190 nan 0.000 0.430 305 T N 3.716 118.210 114.554 -0.099 0.000 2.767 305 T HA 0.502 4.852 4.350 -0.000 0.000 0.284 305 T C 0.027 174.578 174.700 -0.248 0.000 0.973 305 T CA -0.348 61.666 62.100 -0.145 0.000 0.996 305 T CB 1.221 70.011 68.868 -0.129 0.000 0.927 305 T HN 0.798 nan 8.240 nan 0.000 0.456 306 S N 2.419 117.972 115.700 -0.245 0.000 2.532 306 S HA 0.657 5.127 4.470 -0.000 0.000 0.299 306 S C -0.830 173.585 174.600 -0.307 0.000 1.105 306 S CA -0.701 57.310 58.200 -0.316 0.000 1.018 306 S CB 1.234 64.287 63.200 -0.244 0.000 1.021 306 S HN 0.398 nan 8.310 nan 0.000 0.483 307 V N 4.480 124.176 119.914 -0.364 0.000 2.357 307 V HA 0.454 4.574 4.120 -0.000 0.000 0.284 307 V C -0.433 175.579 176.094 -0.137 0.000 1.018 307 V CA -0.470 61.699 62.300 -0.218 0.000 0.841 307 V CB 1.171 32.957 31.823 -0.062 0.000 0.991 307 V HN 0.950 nan 8.190 nan 0.000 0.437 308 Q N 3.286 122.986 119.800 -0.166 0.000 2.333 308 Q HA 0.708 5.048 4.340 -0.000 0.000 0.265 308 Q C -0.069 175.827 176.000 -0.172 0.000 0.989 308 Q CA -0.517 55.187 55.803 -0.166 0.000 0.842 308 Q CB 2.248 30.862 28.738 -0.207 0.000 1.262 308 Q HN 0.873 nan 8.270 nan 0.000 0.451 309 A N 2.500 125.263 122.820 -0.094 0.000 2.488 309 A HA 0.420 4.739 4.320 -0.000 0.000 0.249 309 A C -0.294 177.196 177.584 -0.156 0.000 1.083 309 A CA -0.219 51.766 52.037 -0.087 0.000 0.768 309 A CB 0.375 19.392 19.000 0.027 0.000 1.017 309 A HN 0.512 nan 8.150 nan 0.000 0.496 310 V N 3.622 123.363 119.914 -0.289 0.000 2.443 310 V HA 0.226 4.346 4.120 -0.000 0.000 0.293 310 V C -0.650 175.356 176.094 -0.145 0.000 1.021 310 V CA -0.504 61.603 62.300 -0.321 0.000 0.848 310 V CB 1.047 32.300 31.823 -0.950 0.000 0.998 310 V HN 0.819 nan 8.190 nan 0.000 0.424 311 Y N 5.026 125.265 120.300 -0.102 0.000 2.319 311 Y HA 0.567 5.117 4.550 -0.000 0.000 0.328 311 Y C -0.132 175.571 175.900 -0.327 0.000 1.133 311 Y CA -0.252 57.710 58.100 -0.229 0.000 1.265 311 Y CB 1.449 39.715 38.460 -0.323 0.000 1.218 311 Y HN 0.413 nan 8.280 nan 0.000 0.508 312 V N 9.229 128.579 119.914 -0.941 0.000 2.311 312 V HA 0.305 4.425 4.120 -0.000 0.000 0.275 312 V C -2.247 173.283 176.094 -0.939 0.000 1.022 312 V CA -2.092 59.827 62.300 -0.635 0.000 0.830 312 V CB 0.785 32.459 31.823 -0.248 0.000 1.012 312 V HN 0.731 nan 8.190 nan 0.000 0.452 313 P HA 0.190 nan 4.420 nan 0.000 0.268 313 P C 0.595 177.827 177.300 -0.113 0.000 1.204 313 P CA 0.414 63.381 63.100 -0.222 0.000 0.768 313 P CB 0.780 32.525 31.700 0.074 0.000 0.842 314 A N 3.368 126.159 122.820 -0.048 0.000 2.771 314 A HA -0.275 4.045 4.320 -0.000 0.000 0.294 314 A C 0.745 178.302 177.584 -0.045 0.000 1.500 314 A CA 1.430 53.457 52.037 -0.017 0.000 0.829 314 A CB -2.655 16.358 19.000 0.022 0.000 0.998 314 A HN 0.697 nan 8.150 nan 0.000 0.526 315 D N -2.254 118.083 120.400 -0.105 0.000 3.039 315 D HA -0.181 4.458 4.640 -0.000 0.000 0.222 315 D C -0.163 176.106 176.300 -0.051 0.000 1.179 315 D CA 1.981 55.930 54.000 -0.086 0.000 0.880 315 D CB -1.124 39.647 40.800 -0.048 0.000 1.115 315 D HN 0.907 nan 8.370 nan 0.000 0.416 316 D N 0.078 120.454 120.400 -0.040 0.000 2.500 316 D HA 0.220 4.860 4.640 -0.000 0.000 0.219 316 D C 1.158 177.469 176.300 0.019 0.000 1.137 316 D CA -0.317 53.681 54.000 -0.003 0.000 0.946 316 D CB 0.060 40.872 40.800 0.021 0.000 1.022 316 D HN 0.175 nan 8.370 nan 0.000 0.518 317 L N 2.291 123.522 121.223 0.014 0.000 2.651 317 L HA -0.082 4.258 4.340 -0.000 0.000 0.236 317 L C 2.002 178.893 176.870 0.035 0.000 1.173 317 L CA 1.249 56.117 54.840 0.047 0.000 0.843 317 L CB -0.405 41.648 42.059 -0.011 0.000 0.964 317 L HN 0.471 nan 8.230 nan 0.000 0.454 318 T N -5.825 108.741 114.554 0.021 0.000 3.054 318 T HA 0.041 4.391 4.350 -0.000 0.000 0.255 318 T C 0.489 175.221 174.700 0.053 0.000 1.035 318 T CA -0.516 61.592 62.100 0.012 0.000 0.941 318 T CB -0.156 68.705 68.868 -0.011 0.000 1.026 318 T HN 0.135 nan 8.240 nan 0.000 0.533 319 D N 2.497 122.950 120.400 0.088 0.000 2.443 319 D HA 0.153 4.793 4.640 -0.000 0.000 0.239 319 D C -1.308 175.039 176.300 0.077 0.000 1.136 319 D CA -1.633 52.445 54.000 0.130 0.000 0.879 319 D CB 1.233 42.149 40.800 0.192 0.000 1.195 319 D HN -0.033 nan 8.370 nan 0.000 0.443 320 P HA -0.196 nan 4.420 nan 0.000 0.214 320 P C 0.944 178.140 177.300 -0.174 0.000 1.163 320 P CA 2.132 65.142 63.100 -0.150 0.000 0.889 320 P CB -0.110 31.397 31.700 -0.322 0.000 0.790 321 A N 0.401 123.014 122.820 -0.345 0.000 1.870 321 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 321 A C 0.081 177.757 177.584 0.153 0.000 1.224 321 A CA 3.086 55.061 52.037 -0.103 0.000 0.650 321 A CB -2.437 16.634 19.000 0.118 0.000 0.836 321 A HN 0.243 nan 8.150 nan 0.000 0.454 322 P HA -0.124 nan 4.420 nan 0.000 0.214 322 P C 1.707 179.278 177.300 0.452 0.000 1.162 322 P CA 2.077 65.425 63.100 0.413 0.000 0.879 322 P CB -0.362 31.630 31.700 0.486 0.000 0.786 323 A N 0.155 123.196 122.820 0.368 0.000 1.915 323 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 323 A C 2.343 180.106 177.584 0.298 0.000 1.198 323 A CA 3.180 55.412 52.037 0.324 0.000 0.647 323 A CB -2.119 16.950 19.000 0.115 0.000 0.825 323 A HN 0.284 nan 8.150 nan 0.000 0.456 324 T N -0.397 114.272 114.554 0.192 0.000 2.821 324 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 324 T C 1.931 176.781 174.700 0.249 0.000 1.046 324 T CA 1.757 63.954 62.100 0.161 0.000 1.139 324 T CB -0.618 68.305 68.868 0.092 0.000 0.871 324 T HN 0.633 nan 8.240 nan 0.000 0.454 325 T N 1.863 116.574 114.554 0.262 0.000 2.788 325 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 325 T C 1.564 176.414 174.700 0.250 0.000 1.044 325 T CA 0.871 63.122 62.100 0.251 0.000 1.139 325 T CB -0.630 68.318 68.868 0.134 0.000 0.867 325 T HN 0.273 nan 8.240 nan 0.000 0.454 326 F N 2.097 122.182 119.950 0.225 0.000 2.087 326 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 326 F C 2.690 178.514 175.800 0.039 0.000 1.100 326 F CA 1.096 59.161 58.000 0.108 0.000 1.226 326 F CB -0.780 38.197 39.000 -0.037 0.000 0.983 326 F HN 0.159 nan 8.300 nan 0.000 0.479 327 A N -1.659 121.244 122.820 0.138 0.000 2.225 327 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 327 A C 1.526 179.001 177.584 -0.181 0.000 1.164 327 A CA 1.364 53.361 52.037 -0.066 0.000 0.710 327 A CB -0.901 17.993 19.000 -0.177 0.000 0.780 327 A HN 0.509 nan 8.150 nan 0.000 0.473 328 H N -1.341 117.773 119.070 0.074 0.000 2.586 328 H HA 0.352 4.908 4.556 -0.000 0.000 0.273 328 H C -0.158 175.177 175.328 0.012 0.000 0.997 328 H CA 0.043 56.110 56.048 0.032 0.000 1.177 328 H CB 0.204 29.974 29.762 0.013 0.000 1.471 328 H HN 0.336 nan 8.280 nan 0.000 0.538 329 L N 0.648 121.943 121.223 0.119 0.000 2.331 329 L HA 0.220 4.560 4.340 -0.000 0.000 0.275 329 L C 0.808 177.707 176.870 0.048 0.000 1.022 329 L CA -0.506 54.374 54.840 0.066 0.000 0.812 329 L CB 1.914 44.014 42.059 0.069 0.000 1.257 329 L HN -0.068 nan 8.230 nan 0.000 0.435 330 D N 1.297 121.703 120.400 0.011 0.000 2.355 330 D HA 0.204 4.844 4.640 -0.000 0.000 0.206 330 D C 0.246 176.558 176.300 0.021 0.000 1.010 330 D CA 0.555 54.563 54.000 0.013 0.000 0.875 330 D CB 1.151 41.949 40.800 -0.004 0.000 0.966 330 D HN 0.535 nan 8.370 nan 0.000 0.512 331 A N 0.552 123.368 122.820 -0.008 0.000 2.517 331 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 331 A C -0.563 177.020 177.584 -0.001 0.000 1.050 331 A CA -0.673 51.373 52.037 0.015 0.000 0.694 331 A CB 1.472 20.486 19.000 0.024 0.000 1.277 331 A HN -0.035 nan 8.150 nan 0.000 0.400 332 T N -0.446 114.161 114.554 0.088 0.000 2.807 332 T HA 0.703 5.053 4.350 -0.000 0.000 0.279 332 T C -0.373 174.417 174.700 0.150 0.000 0.993 332 T CA -0.486 61.700 62.100 0.143 0.000 0.970 332 T CB 1.262 70.247 68.868 0.194 0.000 0.950 332 T HN 0.567 nan 8.240 nan 0.000 0.441 333 T N 2.997 117.632 114.554 0.136 0.000 2.770 333 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 333 T C -0.079 174.670 174.700 0.081 0.000 0.997 333 T CA -0.621 61.530 62.100 0.086 0.000 0.949 333 T CB 0.811 69.655 68.868 -0.040 0.000 0.941 333 T HN 0.618 nan 8.240 nan 0.000 0.457 334 V N 5.750 125.713 119.914 0.082 0.000 2.304 334 V HA 0.299 4.419 4.120 -0.000 0.000 0.269 334 V C 0.143 176.264 176.094 0.046 0.000 1.036 334 V CA -0.760 61.594 62.300 0.091 0.000 0.840 334 V CB 0.323 32.187 31.823 0.068 0.000 1.036 334 V HN 0.779 nan 8.190 nan 0.000 0.466 335 L N 4.315 125.561 121.223 0.037 0.000 2.319 335 L HA 0.429 4.769 4.340 -0.000 0.000 0.280 335 L C 0.697 177.578 176.870 0.018 0.000 1.099 335 L CA 0.483 55.336 54.840 0.021 0.000 0.828 335 L CB 1.265 43.337 42.059 0.022 0.000 1.150 335 L HN 0.681 nan 8.230 nan 0.000 0.442 336 S N 3.199 118.899 115.700 0.001 0.000 2.549 336 S HA 0.369 4.839 4.470 -0.000 0.000 0.297 336 S C 0.881 175.467 174.600 -0.023 0.000 1.115 336 S CA -0.710 57.485 58.200 -0.009 0.000 1.059 336 S CB 1.841 65.035 63.200 -0.009 0.000 1.046 336 S HN 0.737 nan 8.310 nan 0.000 0.506 337 R N 2.567 123.057 120.500 -0.017 0.000 2.062 337 R HA 0.048 4.388 4.340 -0.000 0.000 0.229 337 R C 2.194 178.481 176.300 -0.023 0.000 1.128 337 R CA 1.603 57.693 56.100 -0.016 0.000 0.960 337 R CB -1.133 29.164 30.300 -0.005 0.000 0.855 337 R HN 0.859 nan 8.270 nan 0.000 0.432 338 G N 1.304 110.094 108.800 -0.016 0.000 2.450 338 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 338 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 338 G C 1.296 176.185 174.900 -0.018 0.000 1.130 338 G CA 0.555 45.649 45.100 -0.010 0.000 0.760 338 G HN 0.200 nan 8.290 nan 0.000 0.557 339 I N 1.980 122.529 120.570 -0.035 0.000 2.406 339 I HA -0.091 4.079 4.170 -0.000 0.000 0.249 339 I C 3.065 179.099 176.117 -0.138 0.000 1.122 339 I CA 1.593 62.859 61.300 -0.057 0.000 1.431 339 I CB -1.092 36.879 38.000 -0.048 0.000 1.087 339 I HN 0.354 nan 8.210 nan 0.000 0.424 340 S N 0.692 116.286 115.700 -0.177 0.000 2.387 340 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 340 S C 1.770 176.282 174.600 -0.147 0.000 1.026 340 S CA 0.888 58.896 58.200 -0.320 0.000 0.972 340 S CB -0.479 62.603 63.200 -0.195 0.000 0.814 340 S HN 0.480 nan 8.310 nan 0.000 0.477 341 E N 0.934 121.106 120.200 -0.047 0.000 2.150 341 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 341 E C 1.870 178.483 176.600 0.022 0.000 0.985 341 E CA 0.815 57.221 56.400 0.010 0.000 0.814 341 E CB -0.321 29.388 29.700 0.016 0.000 0.752 341 E HN 0.458 nan 8.360 nan 0.000 0.466 342 L N -0.436 120.791 121.223 0.006 0.000 2.456 342 L HA -0.076 4.264 4.340 -0.000 0.000 0.224 342 L C 1.486 178.398 176.870 0.070 0.000 1.148 342 L CA 0.929 55.788 54.840 0.033 0.000 0.825 342 L CB -0.006 42.072 42.059 0.032 0.000 0.937 342 L HN 0.386 nan 8.230 nan 0.000 0.450 343 G N -0.832 108.003 108.800 0.059 0.000 2.176 343 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.232 343 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.232 343 G C 0.370 175.395 174.900 0.208 0.000 0.986 343 G CA -0.142 45.072 45.100 0.190 0.000 0.643 343 G HN 0.139 nan 8.290 nan 0.000 0.522 344 I N 0.560 121.123 120.570 -0.012 0.000 2.496 344 I HA 0.480 4.649 4.170 -0.000 0.000 0.285 344 I C -0.022 175.894 176.117 -0.335 0.000 1.080 344 I CA -0.127 61.124 61.300 -0.083 0.000 1.404 344 I CB 0.180 38.145 38.000 -0.057 0.000 1.403 344 I HN 0.059 nan 8.210 nan 0.000 0.539 345 Y N 5.873 126.110 120.300 -0.105 0.000 2.396 345 Y HA 0.335 4.885 4.550 -0.000 0.000 0.332 345 Y C -2.197 173.523 175.900 -0.299 0.000 1.034 345 Y CA -2.090 55.935 58.100 -0.124 0.000 1.057 345 Y CB 2.263 40.654 38.460 -0.115 0.000 1.220 345 Y HN 0.434 nan 8.280 nan 0.000 0.440 346 P HA 0.055 nan 4.420 nan 0.000 0.268 346 P C -0.165 177.199 177.300 0.106 0.000 1.208 346 P CA -0.013 63.237 63.100 0.250 0.000 0.777 346 P CB 1.083 33.124 31.700 0.568 0.000 0.875 347 A N 2.609 125.477 122.820 0.080 0.000 2.503 347 A HA 0.225 4.545 4.320 -0.000 0.000 0.263 347 A C 0.540 178.124 177.584 0.001 0.000 1.360 347 A CA -0.287 51.693 52.037 -0.095 0.000 0.969 347 A CB -0.974 17.920 19.000 -0.177 0.000 1.000 347 A HN 0.361 nan 8.150 nan 0.000 0.530 348 V N 1.009 120.963 119.914 0.066 0.000 2.572 348 V HA 0.065 4.185 4.120 -0.000 0.000 0.291 348 V C 0.235 176.352 176.094 0.039 0.000 1.039 348 V CA -0.492 61.848 62.300 0.066 0.000 1.055 348 V CB 1.040 32.936 31.823 0.122 0.000 0.969 348 V HN 0.510 nan 8.190 nan 0.000 0.482 349 D N 7.409 127.828 120.400 0.031 0.000 2.352 349 D HA 0.213 4.853 4.640 -0.000 0.000 0.245 349 D C -1.243 175.074 176.300 0.028 0.000 1.224 349 D CA -2.130 51.884 54.000 0.024 0.000 0.879 349 D CB 1.659 42.468 40.800 0.015 0.000 1.057 349 D HN 0.281 nan 8.370 nan 0.000 0.491 350 P HA -0.018 nan 4.420 nan 0.000 0.233 350 P C 1.122 178.427 177.300 0.008 0.000 1.167 350 P CA 0.454 63.564 63.100 0.016 0.000 0.770 350 P CB 0.490 32.197 31.700 0.012 0.000 0.837 351 L N -1.141 120.088 121.223 0.010 0.000 2.664 351 L HA 0.227 4.567 4.340 -0.000 0.000 0.233 351 L C 1.708 178.575 176.870 -0.005 0.000 1.113 351 L CA 0.366 55.207 54.840 0.001 0.000 0.896 351 L CB -0.050 42.011 42.059 0.003 0.000 1.163 351 L HN -0.144 nan 8.230 nan 0.000 0.497 352 D N -0.661 119.739 120.400 -0.000 0.000 2.407 352 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 352 D C 0.371 176.681 176.300 0.016 0.000 1.083 352 D CA 0.279 54.272 54.000 -0.011 0.000 0.844 352 D CB 0.647 41.436 40.800 -0.019 0.000 0.967 352 D HN -0.068 nan 8.370 nan 0.000 0.506 353 S N 1.398 117.120 115.700 0.037 0.000 2.400 353 S HA 0.229 4.699 4.470 -0.000 0.000 0.295 353 S C 0.112 174.754 174.600 0.069 0.000 1.113 353 S CA -0.379 57.863 58.200 0.070 0.000 1.064 353 S CB 1.112 64.362 63.200 0.085 0.000 0.990 353 S HN -0.014 nan 8.310 nan 0.000 0.502 354 K N 1.669 122.116 120.400 0.078 0.000 2.156 354 K HA 0.595 4.915 4.320 -0.000 0.000 0.250 354 K C -0.351 176.304 176.600 0.091 0.000 0.955 354 K CA -0.493 55.837 56.287 0.071 0.000 0.855 354 K CB 1.935 34.464 32.500 0.049 0.000 1.101 354 K HN 0.507 nan 8.250 nan 0.000 0.434 355 S N 1.159 116.910 115.700 0.085 0.000 2.572 355 S HA 0.292 4.762 4.470 -0.000 0.000 0.274 355 S C 0.655 175.298 174.600 0.072 0.000 1.150 355 S CA -0.632 57.622 58.200 0.090 0.000 0.944 355 S CB 1.350 64.618 63.200 0.115 0.000 1.071 355 S HN 0.664 nan 8.310 nan 0.000 0.479 356 R N 2.404 122.938 120.500 0.058 0.000 2.112 356 R HA -0.071 4.269 4.340 -0.000 0.000 0.242 356 R C 1.310 177.633 176.300 0.038 0.000 1.137 356 R CA 2.028 58.154 56.100 0.042 0.000 0.944 356 R CB -0.546 29.773 30.300 0.031 0.000 0.857 356 R HN 0.723 nan 8.270 nan 0.000 0.435 357 L N 1.437 122.684 121.223 0.039 0.000 2.711 357 L HA -0.037 4.303 4.340 -0.000 0.000 0.242 357 L C 0.546 177.426 176.870 0.016 0.000 1.153 357 L CA -0.188 54.662 54.840 0.017 0.000 0.898 357 L CB -0.260 41.809 42.059 0.017 0.000 1.044 357 L HN 0.104 nan 8.230 nan 0.000 0.437 358 L N 1.427 122.688 121.223 0.064 0.000 2.422 358 L HA 0.300 4.640 4.340 -0.000 0.000 0.256 358 L C -0.650 176.334 176.870 0.190 0.000 1.202 358 L CA 0.312 55.236 54.840 0.140 0.000 1.119 358 L CB -0.208 41.941 42.059 0.151 0.000 1.383 358 L HN 0.008 nan 8.230 nan 0.000 0.411 359 D N 1.667 122.105 120.400 0.063 0.000 2.970 359 D HA 0.396 5.036 4.640 -0.000 0.000 0.230 359 D C 0.861 177.021 176.300 -0.234 0.000 1.276 359 D CA 0.151 54.066 54.000 -0.141 0.000 0.910 359 D CB 1.925 42.673 40.800 -0.087 0.000 1.590 359 D HN 0.266 nan 8.370 nan 0.000 0.551 360 A N 3.720 126.210 122.820 -0.551 0.000 1.929 360 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 360 A C 2.161 179.653 177.584 -0.154 0.000 1.211 360 A CA 2.960 54.787 52.037 -0.349 0.000 0.657 360 A CB -1.093 17.670 19.000 -0.394 0.000 0.827 360 A HN 0.820 nan 8.150 nan 0.000 0.462 361 A N -1.301 121.431 122.820 -0.148 0.000 1.908 361 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 361 A C 2.254 179.799 177.584 -0.065 0.000 1.181 361 A CA 2.074 54.058 52.037 -0.088 0.000 0.627 361 A CB -0.797 18.156 19.000 -0.079 0.000 0.818 361 A HN 0.531 nan 8.150 nan 0.000 0.445 362 V N -0.518 119.352 119.914 -0.073 0.000 2.446 362 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 362 V C 2.053 178.101 176.094 -0.076 0.000 1.039 362 V CA 1.786 64.049 62.300 -0.061 0.000 1.045 362 V CB 0.186 31.977 31.823 -0.054 0.000 0.681 362 V HN 0.603 nan 8.190 nan 0.000 0.459 363 V N -2.239 117.608 119.914 -0.113 0.000 3.380 363 V HA 0.759 4.879 4.120 -0.000 0.000 0.307 363 V C 0.679 176.737 176.094 -0.060 0.000 1.434 363 V CA -0.117 62.071 62.300 -0.188 0.000 1.075 363 V CB -0.585 30.897 31.823 -0.569 0.000 0.954 363 V HN 0.685 nan 8.190 nan 0.000 0.444 364 G N 1.165 109.960 108.800 -0.007 0.000 2.764 364 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 364 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 364 G C -0.005 174.956 174.900 0.101 0.000 1.258 364 G CA 0.374 45.504 45.100 0.048 0.000 0.846 364 G HN 0.575 nan 8.290 nan 0.000 0.596 365 Q N 0.256 120.107 119.800 0.085 0.000 2.061 365 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 365 Q C 2.380 178.491 176.000 0.186 0.000 0.984 365 Q CA 2.692 58.566 55.803 0.119 0.000 0.846 365 Q CB -0.268 28.515 28.738 0.074 0.000 0.902 365 Q HN 0.800 nan 8.270 nan 0.000 0.421 366 E N -0.930 119.358 120.200 0.147 0.000 2.085 366 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 366 E C 1.930 178.628 176.600 0.163 0.000 0.994 366 E CA 1.300 57.779 56.400 0.133 0.000 0.801 366 E CB -0.293 29.466 29.700 0.098 0.000 0.743 366 E HN 0.561 nan 8.360 nan 0.000 0.453 367 H N -0.068 119.055 119.070 0.087 0.000 2.290 367 H HA -0.215 4.341 4.556 -0.000 0.000 0.298 367 H C 1.994 177.374 175.328 0.087 0.000 1.087 367 H CA 2.088 58.181 56.048 0.075 0.000 1.291 367 H CB -0.751 29.054 29.762 0.072 0.000 1.369 367 H HN 0.293 nan 8.280 nan 0.000 0.492 368 Y N 1.855 122.304 120.300 0.247 0.000 2.128 368 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 368 Y C 2.239 178.196 175.900 0.095 0.000 1.154 368 Y CA 2.126 60.313 58.100 0.145 0.000 1.149 368 Y CB -0.334 38.164 38.460 0.063 0.000 0.976 368 Y HN 0.201 nan 8.280 nan 0.000 0.505 369 D N -0.408 120.052 120.400 0.101 0.000 2.117 369 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 369 D C 2.415 178.683 176.300 -0.053 0.000 0.987 369 D CA 1.783 55.780 54.000 -0.005 0.000 0.829 369 D CB -0.472 40.379 40.800 0.086 0.000 0.961 369 D HN 0.345 nan 8.370 nan 0.000 0.460 370 V N 1.622 121.528 119.914 -0.013 0.000 2.332 370 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 370 V C 2.572 178.621 176.094 -0.076 0.000 1.055 370 V CA 1.890 64.176 62.300 -0.024 0.000 1.038 370 V CB -0.820 30.987 31.823 -0.027 0.000 0.651 370 V HN 0.185 nan 8.190 nan 0.000 0.450 371 A N -0.532 122.219 122.820 -0.116 0.000 1.898 371 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 371 A C 2.488 179.970 177.584 -0.169 0.000 1.181 371 A CA 2.070 54.019 52.037 -0.147 0.000 0.620 371 A CB -0.661 18.285 19.000 -0.091 0.000 0.819 371 A HN 0.495 nan 8.150 nan 0.000 0.442 372 S N -0.294 115.251 115.700 -0.258 0.000 2.368 372 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 372 S C 1.986 176.514 174.600 -0.120 0.000 1.030 372 S CA 1.716 59.769 58.200 -0.245 0.000 0.999 372 S CB -0.212 62.766 63.200 -0.370 0.000 0.844 372 S HN 0.611 nan 8.310 nan 0.000 0.459 373 K N 0.603 120.952 120.400 -0.084 0.000 2.062 373 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 373 K C 2.037 178.629 176.600 -0.013 0.000 1.051 373 K CA 0.829 57.097 56.287 -0.032 0.000 0.941 373 K CB -0.322 32.172 32.500 -0.009 0.000 0.719 373 K HN 0.108 nan 8.250 nan 0.000 0.440 374 V N 1.873 121.778 119.914 -0.015 0.000 2.282 374 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 374 V C 2.245 178.334 176.094 -0.009 0.000 1.057 374 V CA 1.810 64.114 62.300 0.006 0.000 1.032 374 V CB -0.447 31.355 31.823 -0.035 0.000 0.645 374 V HN 0.402 nan 8.190 nan 0.000 0.447 375 Q N -0.890 118.887 119.800 -0.039 0.000 2.226 375 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 375 Q C 2.226 178.221 176.000 -0.009 0.000 0.975 375 Q CA 1.633 57.419 55.803 -0.029 0.000 0.866 375 Q CB -0.064 28.643 28.738 -0.051 0.000 0.915 375 Q HN 0.724 nan 8.270 nan 0.000 0.440 376 E N -0.737 119.457 120.200 -0.010 0.000 2.140 376 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 376 E C 1.950 178.564 176.600 0.022 0.000 0.973 376 E CA 1.229 57.631 56.400 0.003 0.000 0.829 376 E CB 0.289 29.986 29.700 -0.004 0.000 0.781 376 E HN 0.311 nan 8.360 nan 0.000 0.466 377 T N 1.702 116.270 114.554 0.023 0.000 2.674 377 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 377 T C 2.038 176.775 174.700 0.062 0.000 1.039 377 T CA 0.795 62.913 62.100 0.031 0.000 1.150 377 T CB -0.336 68.539 68.868 0.012 0.000 0.864 377 T HN 0.048 nan 8.240 nan 0.000 0.427 378 L N 0.762 122.019 121.223 0.057 0.000 2.042 378 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 378 L C 3.004 179.958 176.870 0.140 0.000 1.076 378 L CA 1.312 56.214 54.840 0.103 0.000 0.749 378 L CB -0.548 41.552 42.059 0.069 0.000 0.893 378 L HN 0.232 nan 8.230 nan 0.000 0.432 379 Q N 0.047 119.893 119.800 0.076 0.000 2.050 379 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 379 Q C 2.054 178.087 176.000 0.055 0.000 0.980 379 Q CA 2.559 58.393 55.803 0.052 0.000 0.840 379 Q CB -0.477 28.275 28.738 0.023 0.000 0.898 379 Q HN 0.416 nan 8.270 nan 0.000 0.424 380 T N -0.143 114.450 114.554 0.066 0.000 2.915 380 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 380 T C 1.270 176.023 174.700 0.089 0.000 1.071 380 T CA 1.150 63.285 62.100 0.059 0.000 1.132 380 T CB -0.540 68.360 68.868 0.054 0.000 0.878 380 T HN 0.401 nan 8.240 nan 0.000 0.479 381 Y N 2.588 122.885 120.300 -0.004 0.000 2.333 381 Y HA -0.065 4.485 4.550 -0.000 0.000 0.290 381 Y C 2.502 178.399 175.900 -0.004 0.000 1.144 381 Y CA 1.325 59.423 58.100 -0.004 0.000 1.228 381 Y CB -0.618 37.841 38.460 -0.003 0.000 0.985 381 Y HN 0.200 nan 8.280 nan 0.000 0.542 382 K N -0.725 119.626 120.400 -0.082 0.000 2.296 382 K HA 0.046 4.366 4.320 -0.000 0.000 0.200 382 K C 2.193 178.717 176.600 -0.126 0.000 1.048 382 K CA 1.320 57.517 56.287 -0.150 0.000 0.966 382 K CB -1.000 31.469 32.500 -0.051 0.000 0.754 382 K HN 0.401 nan 8.250 nan 0.000 0.466 383 S N 0.509 116.162 115.700 -0.077 0.000 2.414 383 S HA 0.110 4.580 4.470 -0.000 0.000 0.227 383 S C 1.611 176.167 174.600 -0.072 0.000 1.022 383 S CA 0.986 59.151 58.200 -0.058 0.000 0.958 383 S CB -0.047 63.137 63.200 -0.027 0.000 0.797 383 S HN 0.489 nan 8.310 nan 0.000 0.493 384 L N 0.711 121.879 121.223 -0.092 0.000 2.640 384 L HA 0.273 4.613 4.340 -0.000 0.000 0.230 384 L C 1.829 178.623 176.870 -0.127 0.000 1.123 384 L CA 0.158 54.952 54.840 -0.077 0.000 0.900 384 L CB -0.193 41.851 42.059 -0.024 0.000 1.146 384 L HN 0.181 nan 8.230 nan 0.000 0.484 385 Q N 0.393 120.063 119.800 -0.217 0.000 2.451 385 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 385 Q C 0.381 176.303 176.000 -0.130 0.000 0.947 385 Q CA 0.766 56.426 55.803 -0.238 0.000 0.937 385 Q CB 0.216 28.732 28.738 -0.371 0.000 1.025 385 Q HN 0.564 nan 8.270 nan 0.000 0.511 386 D N -0.881 119.460 120.400 -0.097 0.000 2.349 386 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 386 D C 0.879 177.152 176.300 -0.044 0.000 1.063 386 D CA 0.394 54.356 54.000 -0.063 0.000 0.847 386 D CB 0.534 41.301 40.800 -0.055 0.000 0.933 386 D HN 0.192 nan 8.370 nan 0.000 0.513 387 I N -0.289 120.254 120.570 -0.045 0.000 4.197 387 I HA 0.022 4.192 4.170 -0.000 0.000 0.307 387 I C 1.483 177.587 176.117 -0.021 0.000 1.236 387 I CA -0.062 61.222 61.300 -0.027 0.000 1.321 387 I CB 0.664 38.651 38.000 -0.021 0.000 1.309 387 I HN -0.071 nan 8.210 nan 0.000 0.450 388 I N 1.746 122.300 120.570 -0.027 0.000 2.567 388 I HA -0.236 3.934 4.170 -0.000 0.000 0.257 388 I C 2.673 178.784 176.117 -0.010 0.000 1.184 388 I CA 1.522 62.816 61.300 -0.011 0.000 1.451 388 I CB -1.015 36.982 38.000 -0.004 0.000 1.089 388 I HN 0.193 nan 8.210 nan 0.000 0.441 389 A N 1.041 123.847 122.820 -0.024 0.000 1.854 389 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 389 A C 2.254 179.832 177.584 -0.010 0.000 1.192 389 A CA 1.159 53.186 52.037 -0.018 0.000 0.611 389 A CB -0.373 18.611 19.000 -0.027 0.000 0.832 389 A HN 0.334 nan 8.150 nan 0.000 0.442 390 I N -1.424 119.139 120.570 -0.012 0.000 2.368 390 I HA -0.027 4.143 4.170 -0.000 0.000 0.238 390 I C 2.122 178.237 176.117 -0.004 0.000 1.076 390 I CA 0.455 61.750 61.300 -0.008 0.000 1.397 390 I CB -0.417 37.577 38.000 -0.010 0.000 1.141 390 I HN 0.132 nan 8.210 nan 0.000 0.430 391 L N 0.439 121.660 121.223 -0.004 0.000 2.072 391 L HA 0.210 4.550 4.340 -0.000 0.000 0.205 391 L C 1.195 178.067 176.870 0.003 0.000 1.079 391 L CA 1.526 56.365 54.840 -0.001 0.000 0.752 391 L CB -1.277 40.781 42.059 -0.002 0.000 0.906 391 L HN 0.552 nan 8.230 nan 0.000 0.436 392 G N -2.926 105.876 108.800 0.004 0.000 2.549 392 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.404 392 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.404 392 G C 0.510 175.419 174.900 0.015 0.000 1.292 392 G CA 0.474 45.580 45.100 0.010 0.000 0.935 392 G HN 0.367 nan 8.290 nan 0.000 0.512 393 M N -1.376 118.236 119.600 0.020 0.000 2.476 393 M HA 0.241 4.721 4.480 -0.000 0.000 0.262 393 M C 1.809 178.119 176.300 0.018 0.000 1.079 393 M CA 2.968 58.283 55.300 0.024 0.000 1.104 393 M CB -1.189 31.428 32.600 0.028 0.000 1.409 393 M HN 0.641 nan 8.290 nan 0.000 0.467 394 D N 1.464 121.872 120.400 0.014 0.000 2.312 394 D HA 0.268 4.908 4.640 -0.000 0.000 0.211 394 D C 0.925 177.231 176.300 0.009 0.000 0.964 394 D CA 1.409 55.415 54.000 0.011 0.000 0.877 394 D CB 0.167 40.973 40.800 0.009 0.000 0.924 394 D HN 0.759 nan 8.370 nan 0.000 0.515 395 E N 0.593 120.798 120.200 0.009 0.000 2.683 395 E HA 0.563 4.913 4.350 -0.000 0.000 0.224 395 E C -0.581 176.025 176.600 0.009 0.000 1.046 395 E CA -0.306 56.098 56.400 0.007 0.000 0.811 395 E CB 0.040 29.743 29.700 0.004 0.000 1.296 395 E HN 0.142 nan 8.360 nan 0.000 0.421 396 L N -0.030 121.199 121.223 0.011 0.000 2.479 396 L HA 0.613 4.953 4.340 -0.000 0.000 0.255 396 L C 0.352 177.229 176.870 0.011 0.000 1.026 396 L CA -1.225 53.623 54.840 0.013 0.000 0.842 396 L CB 2.553 44.623 42.059 0.019 0.000 1.444 396 L HN 0.412 nan 8.230 nan 0.000 0.409 397 S N 0.305 116.012 115.700 0.011 0.000 2.564 397 S HA 0.224 4.694 4.470 -0.000 0.000 0.278 397 S C 1.081 175.688 174.600 0.012 0.000 1.333 397 S CA 0.640 58.846 58.200 0.010 0.000 1.048 397 S CB 1.637 64.843 63.200 0.010 0.000 0.900 397 S HN 0.751 nan 8.310 nan 0.000 0.505 398 E N 2.650 122.855 120.200 0.009 0.000 2.204 398 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 398 E C 2.303 178.909 176.600 0.009 0.000 0.990 398 E CA 1.908 58.313 56.400 0.009 0.000 0.821 398 E CB -1.643 28.061 29.700 0.007 0.000 0.750 398 E HN 0.977 nan 8.360 nan 0.000 0.477 399 Q N 0.599 120.405 119.800 0.009 0.000 2.187 399 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 399 Q C 2.026 178.034 176.000 0.013 0.000 0.957 399 Q CA 1.478 57.286 55.803 0.009 0.000 0.857 399 Q CB -0.304 28.439 28.738 0.008 0.000 0.929 399 Q HN 0.650 nan 8.270 nan 0.000 0.453 400 D N -0.044 120.366 120.400 0.017 0.000 2.234 400 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 400 D C 2.253 178.571 176.300 0.031 0.000 0.962 400 D CA 1.682 55.697 54.000 0.025 0.000 0.855 400 D CB -0.051 40.764 40.800 0.025 0.000 0.951 400 D HN 0.613 nan 8.370 nan 0.000 0.500 401 K N 0.840 121.255 120.400 0.025 0.000 2.097 401 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 401 K C 1.905 178.516 176.600 0.018 0.000 1.049 401 K CA 0.850 57.152 56.287 0.025 0.000 0.933 401 K CB -1.032 31.480 32.500 0.019 0.000 0.717 401 K HN 0.113 nan 8.250 nan 0.000 0.442 402 L N 1.128 122.358 121.223 0.012 0.000 2.376 402 L HA 0.048 4.388 4.340 -0.000 0.000 0.219 402 L C 2.081 178.951 176.870 0.001 0.000 1.133 402 L CA 2.069 56.912 54.840 0.004 0.000 0.816 402 L CB -0.321 41.739 42.059 0.003 0.000 0.933 402 L HN 0.452 nan 8.230 nan 0.000 0.449 403 T N -2.270 112.291 114.554 0.012 0.000 2.983 403 T HA -0.003 4.347 4.350 -0.000 0.000 0.250 403 T C 1.869 176.579 174.700 0.017 0.000 1.037 403 T CA 1.055 63.163 62.100 0.015 0.000 1.142 403 T CB -0.075 68.810 68.868 0.028 0.000 0.876 403 T HN 0.077 nan 8.240 nan 0.000 0.455 404 V N 2.067 122.009 119.914 0.047 0.000 2.515 404 V HA -0.094 4.026 4.120 -0.000 0.000 0.250 404 V C 3.085 179.153 176.094 -0.044 0.000 1.058 404 V CA 2.241 64.589 62.300 0.079 0.000 1.064 404 V CB -1.193 30.731 31.823 0.169 0.000 0.675 404 V HN 0.706 nan 8.190 nan 0.000 0.461 405 E N 0.449 120.629 120.200 -0.033 0.000 2.106 405 E HA -0.245 4.104 4.350 -0.000 0.000 0.192 405 E C 2.219 178.751 176.600 -0.112 0.000 0.984 405 E CA 1.441 57.806 56.400 -0.059 0.000 0.806 405 E CB -0.522 29.163 29.700 -0.024 0.000 0.750 405 E HN 0.671 nan 8.360 nan 0.000 0.458 406 R N -0.306 120.131 120.500 -0.104 0.000 2.148 406 R HA 0.149 4.489 4.340 -0.000 0.000 0.223 406 R C 2.757 178.942 176.300 -0.191 0.000 1.088 406 R CA 0.848 56.869 56.100 -0.132 0.000 0.985 406 R CB -0.272 29.983 30.300 -0.075 0.000 0.880 406 R HN 0.443 nan 8.270 nan 0.000 0.451 407 A N 1.695 124.376 122.820 -0.231 0.000 1.845 407 A HA -0.215 4.104 4.320 -0.000 0.000 0.215 407 A C 2.539 179.874 177.584 -0.415 0.000 1.195 407 A CA 2.130 53.959 52.037 -0.348 0.000 0.616 407 A CB -0.872 17.782 19.000 -0.577 0.000 0.832 407 A HN 0.405 nan 8.150 nan 0.000 0.443 408 R N -0.925 119.288 120.500 -0.479 0.000 2.241 408 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 408 R C 2.316 178.460 176.300 -0.260 0.000 1.101 408 R CA 2.414 58.319 56.100 -0.326 0.000 0.995 408 R CB -1.761 28.398 30.300 -0.234 0.000 0.870 408 R HN 0.800 nan 8.270 nan 0.000 0.463 409 K N 0.540 120.720 120.400 -0.367 0.000 2.167 409 K HA 0.241 4.561 4.320 -0.000 0.000 0.203 409 K C 2.123 178.296 176.600 -0.711 0.000 1.052 409 K CA 1.278 57.120 56.287 -0.742 0.000 0.956 409 K CB -0.339 31.692 32.500 -0.782 0.000 0.735 409 K HN 0.535 nan 8.250 nan 0.000 0.451 410 I N 0.225 120.602 120.570 -0.322 0.000 2.400 410 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 410 I C 2.975 179.137 176.117 0.075 0.000 1.109 410 I CA 0.987 62.264 61.300 -0.037 0.000 1.425 410 I CB 0.088 38.125 38.000 0.061 0.000 1.094 410 I HN 0.448 nan 8.210 nan 0.000 0.425 411 Q N 0.975 120.759 119.800 -0.027 0.000 2.045 411 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 411 Q C 2.326 178.370 176.000 0.074 0.000 0.991 411 Q CA 1.951 57.766 55.803 0.019 0.000 0.851 411 Q CB 0.022 28.738 28.738 -0.037 0.000 0.911 411 Q HN 0.306 nan 8.270 nan 0.000 0.418 412 R N -0.971 119.571 120.500 0.070 0.000 2.148 412 R HA -0.069 4.270 4.340 -0.000 0.000 0.223 412 R C 1.882 178.323 176.300 0.234 0.000 1.088 412 R CA 0.644 56.831 56.100 0.145 0.000 0.985 412 R CB -0.124 30.281 30.300 0.175 0.000 0.880 412 R HN 0.243 nan 8.270 nan 0.000 0.451 413 F N 0.951 120.902 119.950 0.003 0.000 2.494 413 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 413 F C 0.779 176.675 175.800 0.161 0.000 1.106 413 F CA 0.888 58.889 58.000 0.003 0.000 1.452 413 F CB 0.053 38.866 39.000 -0.313 0.000 1.085 413 F HN -0.080 nan 8.300 nan 0.000 0.569 414 L N 0.040 121.406 121.223 0.239 0.000 2.888 414 L HA 0.169 4.509 4.340 -0.000 0.000 0.237 414 L C 0.245 177.143 176.870 0.046 0.000 1.288 414 L CA -0.123 54.798 54.840 0.135 0.000 1.110 414 L CB -0.747 41.380 42.059 0.112 0.000 1.441 414 L HN -0.151 nan 8.230 nan 0.000 0.474 415 S N 0.386 116.096 115.700 0.017 0.000 2.578 415 S HA 0.654 5.124 4.470 -0.000 0.000 0.301 415 S C -0.629 173.889 174.600 -0.137 0.000 1.091 415 S CA -0.599 57.537 58.200 -0.106 0.000 1.032 415 S CB 2.581 65.648 63.200 -0.222 0.000 1.064 415 S HN 0.316 nan 8.310 nan 0.000 0.508 416 Q N 1.475 121.125 119.800 -0.251 0.000 2.430 416 Q HA 0.291 4.631 4.340 -0.000 0.000 0.253 416 Q C -3.100 172.625 176.000 -0.458 0.000 0.945 416 Q CA -1.610 54.027 55.803 -0.277 0.000 0.964 416 Q CB 2.066 30.681 28.738 -0.206 0.000 1.460 416 Q HN 0.313 nan 8.270 nan 0.000 0.428 417 P HA 0.261 nan 4.420 nan 0.000 0.275 417 P C -1.047 176.159 177.300 -0.158 0.000 1.228 417 P CA -0.090 62.870 63.100 -0.233 0.000 0.786 417 P CB 0.432 32.079 31.700 -0.088 0.000 0.927 418 F N 0.504 120.445 119.950 -0.015 0.000 2.458 418 F HA 0.455 4.982 4.527 -0.000 0.000 0.330 418 F C 1.720 177.503 175.800 -0.028 0.000 1.082 418 F CA -1.176 56.802 58.000 -0.037 0.000 0.995 418 F CB 0.578 39.547 39.000 -0.052 0.000 1.170 418 F HN 0.377 nan 8.300 nan 0.000 0.478 419 A N 2.055 124.982 122.820 0.178 0.000 1.884 419 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 419 A C 2.134 179.748 177.584 0.050 0.000 1.197 419 A CA 2.539 54.615 52.037 0.066 0.000 0.637 419 A CB -1.086 17.921 19.000 0.012 0.000 0.827 419 A HN 0.563 nan 8.150 nan 0.000 0.450 420 V N -0.558 119.388 119.914 0.053 0.000 2.427 420 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 420 V C 2.741 178.896 176.094 0.100 0.000 1.051 420 V CA 1.781 64.109 62.300 0.045 0.000 1.048 420 V CB -0.875 30.963 31.823 0.025 0.000 0.666 420 V HN 0.631 nan 8.190 nan 0.000 0.456 421 A N -0.458 122.481 122.820 0.199 0.000 2.259 421 A HA -0.052 4.268 4.320 -0.000 0.000 0.208 421 A C 2.019 179.691 177.584 0.145 0.000 1.201 421 A CA 0.931 53.140 52.037 0.287 0.000 0.824 421 A CB -0.453 18.724 19.000 0.296 0.000 0.838 421 A HN 0.644 nan 8.150 nan 0.000 0.485 422 E N 0.292 120.514 120.200 0.036 0.000 2.153 422 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 422 E C 1.687 178.229 176.600 -0.097 0.000 0.988 422 E CA 1.659 58.049 56.400 -0.016 0.000 0.811 422 E CB -0.273 29.415 29.700 -0.019 0.000 0.746 422 E HN 0.569 nan 8.360 nan 0.000 0.466 423 V N -1.298 118.466 119.914 -0.251 0.000 3.078 423 V HA -0.074 4.046 4.120 -0.000 0.000 0.265 423 V C 1.281 177.094 176.094 -0.469 0.000 1.122 423 V CA 1.176 63.233 62.300 -0.405 0.000 1.141 423 V CB -0.710 30.790 31.823 -0.538 0.000 0.735 423 V HN 0.214 nan 8.190 nan 0.000 0.498 424 F N 1.501 121.429 119.950 -0.036 0.000 2.653 424 F HA 0.230 4.757 4.527 -0.000 0.000 0.288 424 F C 2.347 178.116 175.800 -0.050 0.000 1.121 424 F CA 1.024 58.990 58.000 -0.056 0.000 1.384 424 F CB -0.298 38.636 39.000 -0.111 0.000 1.115 424 F HN 0.324 nan 8.300 nan 0.000 0.599 425 T N -4.628 109.990 114.554 0.107 0.000 2.964 425 T HA 0.497 4.846 4.350 -0.000 0.000 0.249 425 T C 1.958 176.688 174.700 0.051 0.000 1.000 425 T CA 0.594 62.739 62.100 0.075 0.000 0.992 425 T CB 0.416 69.314 68.868 0.051 0.000 1.087 425 T HN 0.324 nan 8.240 nan 0.000 0.489 426 G N 2.299 111.111 108.800 0.021 0.000 2.708 426 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.229 426 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.229 426 G C 0.182 175.089 174.900 0.013 0.000 1.236 426 G CA 0.046 45.151 45.100 0.009 0.000 0.749 426 G HN 0.681 nan 8.290 nan 0.000 0.515 427 I N 4.875 125.461 120.570 0.026 0.000 2.880 427 I HA 0.166 4.336 4.170 -0.000 0.000 0.296 427 I C -0.969 175.156 176.117 0.013 0.000 1.220 427 I CA -1.064 60.250 61.300 0.024 0.000 1.435 427 I CB 0.265 38.287 38.000 0.036 0.000 1.339 427 I HN 0.140 nan 8.210 nan 0.000 0.583 428 P HA 0.013 nan 4.420 nan 0.000 0.268 428 P C -0.205 177.103 177.300 0.013 0.000 1.208 428 P CA -0.239 62.867 63.100 0.010 0.000 0.777 428 P CB 0.371 32.076 31.700 0.008 0.000 0.875 429 G N 2.354 111.170 108.800 0.026 0.000 2.504 429 G HA2 0.176 4.136 3.960 -0.000 0.000 0.326 429 G HA3 0.176 4.136 3.960 -0.000 0.000 0.326 429 G C 0.067 174.998 174.900 0.051 0.000 1.073 429 G CA -0.464 44.664 45.100 0.048 0.000 1.030 429 G HN 0.222 nan 8.290 nan 0.000 0.448 430 K N 1.507 121.929 120.400 0.036 0.000 2.319 430 K HA 0.140 4.460 4.320 -0.000 0.000 0.265 430 K C -0.068 176.566 176.600 0.056 0.000 1.000 430 K CA -0.262 56.046 56.287 0.035 0.000 0.943 430 K CB 1.822 34.334 32.500 0.021 0.000 0.950 430 K HN 0.389 nan 8.250 nan 0.000 0.485 431 L N 2.857 124.104 121.223 0.041 0.000 2.839 431 L HA 0.135 4.475 4.340 -0.000 0.000 0.259 431 L C -0.837 176.050 176.870 0.029 0.000 1.369 431 L CA -0.539 54.323 54.840 0.037 0.000 0.845 431 L CB 0.989 43.062 42.059 0.022 0.000 1.181 431 L HN 0.227 nan 8.230 nan 0.000 0.529 432 V N 1.357 121.291 119.914 0.032 0.000 2.644 432 V HA 0.018 4.138 4.120 -0.000 0.000 0.305 432 V C 0.656 176.762 176.094 0.020 0.000 1.053 432 V CA 0.011 62.326 62.300 0.026 0.000 1.186 432 V CB -0.172 31.662 31.823 0.019 0.000 0.895 432 V HN 0.449 nan 8.190 nan 0.000 0.490 433 R N 3.080 123.594 120.500 0.024 0.000 2.573 433 R HA 0.433 4.773 4.340 -0.000 0.000 0.272 433 R C 0.928 177.243 176.300 0.025 0.000 1.009 433 R CA -0.936 55.178 56.100 0.024 0.000 1.059 433 R CB 1.012 31.328 30.300 0.027 0.000 1.112 433 R HN 0.676 nan 8.270 nan 0.000 0.517 434 L N 1.960 123.201 121.223 0.031 0.000 1.976 434 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 434 L C 2.061 178.943 176.870 0.020 0.000 1.071 434 L CA 1.854 56.714 54.840 0.034 0.000 0.746 434 L CB -0.212 41.900 42.059 0.087 0.000 0.890 434 L HN 0.559 nan 8.230 nan 0.000 0.432 435 K N -0.311 120.115 120.400 0.043 0.000 2.044 435 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 435 K C 1.784 178.409 176.600 0.041 0.000 1.049 435 K CA 1.860 58.172 56.287 0.040 0.000 0.927 435 K CB -0.378 32.152 32.500 0.050 0.000 0.713 435 K HN 0.415 nan 8.250 nan 0.000 0.443 436 D N 0.051 120.478 120.400 0.045 0.000 2.127 436 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 436 D C 1.925 178.272 176.300 0.078 0.000 1.000 436 D CA 1.793 55.828 54.000 0.058 0.000 0.839 436 D CB -0.657 40.173 40.800 0.050 0.000 0.955 436 D HN 0.182 nan 8.370 nan 0.000 0.446 437 T N 0.485 115.073 114.554 0.058 0.000 2.652 437 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 437 T C 2.249 177.038 174.700 0.149 0.000 1.039 437 T CA 1.258 63.414 62.100 0.093 0.000 1.153 437 T CB -0.493 68.366 68.868 -0.015 0.000 0.863 437 T HN -0.028 nan 8.240 nan 0.000 0.428 438 V N 1.552 121.461 119.914 -0.008 0.000 2.358 438 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 438 V C 2.876 179.013 176.094 0.072 0.000 1.047 438 V CA 1.586 63.849 62.300 -0.061 0.000 1.035 438 V CB -1.175 30.495 31.823 -0.256 0.000 0.658 438 V HN 0.533 nan 8.190 nan 0.000 0.452 439 A N -0.435 122.433 122.820 0.081 0.000 1.930 439 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 439 A C 2.482 180.165 177.584 0.165 0.000 1.175 439 A CA 2.089 54.190 52.037 0.107 0.000 0.627 439 A CB -0.611 18.441 19.000 0.087 0.000 0.815 439 A HN 0.498 nan 8.150 nan 0.000 0.443 440 S N -0.879 114.941 115.700 0.200 0.000 2.368 440 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 440 S C 1.597 176.385 174.600 0.314 0.000 1.030 440 S CA 1.488 59.843 58.200 0.259 0.000 0.999 440 S CB -0.483 62.876 63.200 0.265 0.000 0.844 440 S HN 0.552 nan 8.310 nan 0.000 0.459 441 F N 1.572 121.641 119.950 0.199 0.000 2.206 441 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 441 F C 2.304 178.185 175.800 0.135 0.000 1.090 441 F CA 0.881 59.001 58.000 0.200 0.000 1.323 441 F CB -0.184 38.841 39.000 0.043 0.000 1.028 441 F HN 0.055 nan 8.300 nan 0.000 0.492 442 K N 0.319 120.872 120.400 0.254 0.000 2.147 442 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 442 K C 2.205 178.880 176.600 0.125 0.000 1.049 442 K CA 0.997 57.375 56.287 0.151 0.000 0.936 442 K CB -0.204 32.361 32.500 0.107 0.000 0.722 442 K HN 0.225 nan 8.250 nan 0.000 0.446 443 A N 0.549 123.463 122.820 0.157 0.000 1.877 443 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 443 A C 2.187 179.850 177.584 0.132 0.000 1.186 443 A CA 1.703 53.827 52.037 0.145 0.000 0.620 443 A CB -0.665 18.506 19.000 0.287 0.000 0.822 443 A HN 0.144 nan 8.150 nan 0.000 0.443 444 V N 0.100 120.124 119.914 0.184 0.000 2.343 444 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 444 V C 2.540 178.663 176.094 0.048 0.000 1.051 444 V CA 1.917 64.282 62.300 0.109 0.000 1.036 444 V CB -0.951 30.849 31.823 -0.038 0.000 0.654 444 V HN 0.528 nan 8.190 nan 0.000 0.451 445 L N -0.216 121.052 121.223 0.075 0.000 1.961 445 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 445 L C 2.626 179.510 176.870 0.023 0.000 1.072 445 L CA 1.927 56.799 54.840 0.052 0.000 0.749 445 L CB -0.708 41.396 42.059 0.075 0.000 0.889 445 L HN 0.273 nan 8.230 nan 0.000 0.432 446 E N -0.074 120.140 120.200 0.023 0.000 2.219 446 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 446 E C 0.749 177.336 176.600 -0.023 0.000 0.998 446 E CA 0.725 57.126 56.400 0.001 0.000 0.818 446 E CB -0.130 29.569 29.700 -0.001 0.000 0.741 446 E HN 0.604 nan 8.360 nan 0.000 0.477 447 G N 0.753 109.532 108.800 -0.036 0.000 3.030 447 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.233 447 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.233 447 G C 0.161 174.987 174.900 -0.124 0.000 1.091 447 G CA -0.015 45.052 45.100 -0.056 0.000 1.113 447 G HN 0.117 nan 8.290 nan 0.000 0.556 448 K N -0.731 119.535 120.400 -0.224 0.000 2.399 448 K HA 0.239 4.559 4.320 -0.000 0.000 0.196 448 K C 0.133 176.294 176.600 -0.731 0.000 1.103 448 K CA 0.471 56.444 56.287 -0.524 0.000 0.986 448 K CB 0.779 32.833 32.500 -0.743 0.000 0.952 448 K HN 0.486 nan 8.250 nan 0.000 0.541 449 Y N 0.474 120.773 120.300 -0.001 0.000 2.577 449 Y HA 0.220 4.770 4.550 -0.000 0.000 0.307 449 Y C 0.241 176.159 175.900 0.030 0.000 0.940 449 Y CA -0.832 57.280 58.100 0.019 0.000 1.132 449 Y CB 0.362 38.851 38.460 0.048 0.000 1.184 449 Y HN -0.059 nan 8.280 nan 0.000 0.611 450 D N 0.950 121.394 120.400 0.074 0.000 2.363 450 D HA -0.059 4.581 4.640 -0.000 0.000 0.226 450 D C 0.688 177.022 176.300 0.055 0.000 1.020 450 D CA 0.837 54.865 54.000 0.047 0.000 0.892 450 D CB 0.235 41.038 40.800 0.005 0.000 0.900 450 D HN 0.555 nan 8.370 nan 0.000 0.531 451 N N -0.170 118.574 118.700 0.073 0.000 2.184 451 N HA 0.060 4.800 4.740 -0.000 0.000 0.234 451 N C 0.006 175.557 175.510 0.068 0.000 1.282 451 N CA -0.230 52.855 53.050 0.058 0.000 0.877 451 N CB 0.225 38.731 38.487 0.032 0.000 1.184 451 N HN 0.026 nan 8.380 nan 0.000 0.510 452 I N 1.958 122.593 120.570 0.109 0.000 2.395 452 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 452 I C -1.854 174.275 176.117 0.021 0.000 1.023 452 I CA -1.977 59.357 61.300 0.057 0.000 1.350 452 I CB 1.061 39.103 38.000 0.071 0.000 1.409 452 I HN -0.176 nan 8.210 nan 0.000 0.507 453 P HA -0.070 nan 4.420 nan 0.000 0.264 453 P C 0.215 177.496 177.300 -0.032 0.000 1.179 453 P CA 0.145 63.226 63.100 -0.031 0.000 0.763 453 P CB 0.489 32.151 31.700 -0.063 0.000 0.806 454 E N 0.631 120.893 120.200 0.103 0.000 2.481 454 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 454 E C 0.438 177.143 176.600 0.175 0.000 1.047 454 E CA 0.329 56.873 56.400 0.240 0.000 0.867 454 E CB -0.025 29.779 29.700 0.173 0.000 0.858 454 E HN 0.527 nan 8.360 nan 0.000 0.513 455 H N -1.527 117.543 119.070 0.001 0.000 2.507 455 H HA 0.321 4.877 4.556 -0.000 0.000 0.294 455 H C 0.710 175.993 175.328 -0.076 0.000 1.064 455 H CA 0.367 56.414 56.048 -0.002 0.000 1.138 455 H CB 0.730 30.475 29.762 -0.029 0.000 1.515 455 H HN 0.134 nan 8.280 nan 0.000 0.547 456 A N -0.550 122.147 122.820 -0.204 0.000 2.430 456 A HA 0.172 4.492 4.320 -0.000 0.000 0.243 456 A C 0.571 177.822 177.584 -0.555 0.000 1.254 456 A CA -0.264 51.543 52.037 -0.383 0.000 0.914 456 A CB -0.307 18.371 19.000 -0.536 0.000 0.998 456 A HN 0.393 nan 8.150 nan 0.000 0.515 457 F N -2.418 117.483 119.950 -0.082 0.000 2.717 457 F HA 0.251 4.777 4.527 -0.000 0.000 0.297 457 F C 0.685 176.524 175.800 0.065 0.000 1.113 457 F CA -0.448 57.506 58.000 -0.076 0.000 1.319 457 F CB 0.068 38.969 39.000 -0.165 0.000 1.097 457 F HN 0.290 nan 8.300 nan 0.000 0.595 458 Y N 1.335 121.656 120.300 0.034 0.000 2.319 458 Y HA 0.313 4.863 4.550 -0.000 0.000 0.328 458 Y C 0.942 176.862 175.900 0.033 0.000 1.133 458 Y CA -1.472 56.619 58.100 -0.014 0.000 1.265 458 Y CB 0.640 38.964 38.460 -0.225 0.000 1.218 458 Y HN 0.138 nan 8.280 nan 0.000 0.508 459 M N 4.651 123.933 119.600 -0.530 0.000 2.253 459 M HA -0.188 4.292 4.480 -0.000 0.000 0.199 459 M C -1.505 174.742 176.300 -0.088 0.000 0.342 459 M CA 1.250 56.334 55.300 -0.360 0.000 0.417 459 M CB -1.534 30.877 32.600 -0.316 0.000 1.338 459 M HN 0.417 nan 8.290 nan 0.000 0.920 460 V N -3.559 116.338 119.914 -0.027 0.000 3.229 460 V HA 1.097 5.217 4.120 -0.000 0.000 0.310 460 V C 0.917 177.034 176.094 0.038 0.000 1.206 460 V CA -0.232 62.086 62.300 0.031 0.000 1.051 460 V CB 1.191 33.055 31.823 0.069 0.000 1.183 460 V HN 0.380 nan 8.190 nan 0.000 0.466 461 G N -0.660 108.174 108.800 0.057 0.000 3.365 461 G HA2 0.600 4.560 3.960 -0.000 0.000 0.185 461 G HA3 0.600 4.560 3.960 -0.000 0.000 0.185 461 G C 0.523 175.486 174.900 0.105 0.000 1.565 461 G CA -0.049 45.084 45.100 0.055 0.000 0.984 461 G HN 1.243 nan 8.290 nan 0.000 0.604 462 G N -0.667 108.190 108.800 0.094 0.000 2.679 462 G HA2 0.290 4.250 3.960 -0.000 0.000 0.202 462 G HA3 0.290 4.250 3.960 -0.000 0.000 0.202 462 G C 0.722 175.760 174.900 0.229 0.000 1.566 462 G CA 0.252 45.430 45.100 0.130 0.000 1.074 462 G HN 0.378 nan 8.290 nan 0.000 0.564 463 I N -0.795 119.871 120.570 0.160 0.000 3.645 463 I HA 0.197 4.367 4.170 -0.000 0.000 0.300 463 I C 2.355 178.451 176.117 -0.034 0.000 1.260 463 I CA 0.404 61.732 61.300 0.047 0.000 1.365 463 I CB 0.097 38.132 38.000 0.057 0.000 1.077 463 I HN 0.505 nan 8.210 nan 0.000 0.439 464 E N 0.472 120.679 120.200 0.012 0.000 2.110 464 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 464 E C 0.278 176.860 176.600 -0.029 0.000 0.988 464 E CA 1.261 57.658 56.400 -0.004 0.000 0.804 464 E CB 0.062 29.771 29.700 0.015 0.000 0.745 464 E HN 0.493 nan 8.360 nan 0.000 0.458 465 D N -0.238 120.150 120.400 -0.021 0.000 2.615 465 D HA 0.123 4.763 4.640 -0.000 0.000 0.236 465 D C -0.506 175.747 176.300 -0.078 0.000 1.233 465 D CA -0.004 53.975 54.000 -0.035 0.000 0.829 465 D CB 0.832 41.629 40.800 -0.005 0.000 1.024 465 D HN -0.142 nan 8.370 nan 0.000 0.490 466 V N 0.000 119.820 119.914 -0.156 0.000 2.409 466 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 466 V CA 0.000 62.112 62.300 -0.313 0.000 1.235 466 V CB 0.000 31.541 31.823 -0.470 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556