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 3ean_1_D DATA FIRST_RESID 9 DATA SEQUENCE KSYDFDLIII GGGSGGLAAA KEAAKFDKKV MVLDFVTPTP LGTRWGLGGT DATA SEQUENCE cVNVGcIPKK LMHQAALLGQ ALKDSRNYGW KLEDTVKHDW EKMTESVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGKFIGPH KIMATNNKGK EKVYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPTKIEQ DATA SEQUENCE IEAGTPGRLK VTAKSTNSEE TIEDEFNTVL LAVGRDSCTR TIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILEG KLELTPVAIQ AGRLLAQRLY DATA SEQUENCE GGSTVKCDYD NVPTTVFTPL EYGCCGLSEE KAVEKFGEEN IEVYHSFFWP DATA SEQUENCE LEWTVPSRDN NKCYAKVICN LKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKQQLDST IGIHPVCAEI FTTLSVTKRS GGDILQSGCX G 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.374 176.600 -0.377 0.000 0.988 9 K CA 0.000 56.122 56.287 -0.275 0.000 0.838 9 K CB 0.000 32.384 32.500 -0.193 0.000 1.064 10 S N 0.998 116.530 115.700 -0.279 0.000 2.438 10 S HA 0.508 4.978 4.470 0.001 0.000 0.293 10 S C -0.496 173.974 174.600 -0.217 0.000 1.141 10 S CA -0.407 57.666 58.200 -0.212 0.000 1.080 10 S CB 0.082 63.224 63.200 -0.096 0.000 0.978 10 S HN 0.184 nan 8.310 nan 0.000 0.479 11 Y N 2.445 122.734 120.300 -0.019 0.000 2.281 11 Y HA 0.172 4.722 4.550 0.001 0.000 0.337 11 Y C 1.821 177.715 175.900 -0.010 0.000 1.304 11 Y CA -0.434 57.675 58.100 0.017 0.000 1.465 11 Y CB 0.429 38.922 38.460 0.055 0.000 1.350 11 Y HN 0.591 nan 8.280 nan 0.000 0.575 12 D N 0.392 120.908 120.400 0.193 0.000 2.117 12 D HA -0.124 4.516 4.640 0.001 0.000 0.197 12 D C -0.370 175.719 176.300 -0.352 0.000 0.987 12 D CA 1.765 55.736 54.000 -0.047 0.000 0.829 12 D CB 0.005 40.877 40.800 0.121 0.000 0.961 12 D HN 0.222 nan 8.370 nan 0.000 0.460 13 F N -0.063 119.945 119.950 0.097 0.000 2.576 13 F HA 0.210 4.738 4.527 0.001 0.000 0.313 13 F C 1.193 176.989 175.800 -0.007 0.000 1.078 13 F CA -1.021 56.985 58.000 0.009 0.000 0.921 13 F CB 1.764 40.724 39.000 -0.067 0.000 1.232 13 F HN -0.370 nan 8.300 nan 0.000 0.459 14 D N 0.790 121.289 120.400 0.165 0.000 2.144 14 D HA -0.035 4.606 4.640 0.001 0.000 0.200 14 D C -0.051 176.296 176.300 0.079 0.000 0.978 14 D CA 1.639 55.699 54.000 0.100 0.000 0.833 14 D CB 0.451 41.258 40.800 0.012 0.000 0.961 14 D HN 0.157 nan 8.370 nan 0.000 0.470 15 L N 0.515 121.768 121.223 0.050 0.000 2.516 15 L HA 0.376 4.717 4.340 0.001 0.000 0.267 15 L C -1.583 175.186 176.870 -0.168 0.000 0.957 15 L CA -0.369 54.450 54.840 -0.034 0.000 0.860 15 L CB 2.083 44.192 42.059 0.083 0.000 1.265 15 L HN -0.235 nan 8.230 nan 0.000 0.403 16 I N 6.062 126.415 120.570 -0.362 0.000 2.339 16 I HA 0.412 4.583 4.170 0.001 0.000 0.290 16 I C -0.464 175.583 176.117 -0.117 0.000 0.994 16 I CA -0.367 60.722 61.300 -0.350 0.000 1.191 16 I CB 1.470 39.218 38.000 -0.420 0.000 1.343 16 I HN 0.510 nan 8.210 nan 0.000 0.458 17 I N 7.511 128.021 120.570 -0.101 0.000 2.321 17 I HA 0.314 4.485 4.170 0.001 0.000 0.291 17 I C -0.201 175.893 176.117 -0.039 0.000 0.998 17 I CA -0.368 60.918 61.300 -0.023 0.000 1.227 17 I CB 1.087 39.071 38.000 -0.028 0.000 1.368 17 I HN 0.390 nan 8.210 nan 0.000 0.466 18 I N 6.533 127.094 120.570 -0.013 0.000 2.291 18 I HA 0.542 4.713 4.170 0.001 0.000 0.290 18 I C 0.523 176.606 176.117 -0.056 0.000 1.050 18 I CA -0.164 61.089 61.300 -0.078 0.000 1.245 18 I CB 0.777 38.697 38.000 -0.133 0.000 1.405 18 I HN 0.797 nan 8.210 nan 0.000 0.478 19 G N 3.649 112.418 108.800 -0.051 0.000 3.367 19 G HA2 0.046 4.006 3.960 0.001 0.000 0.686 19 G HA3 0.046 4.006 3.960 0.001 0.000 0.686 19 G C -0.103 174.786 174.900 -0.018 0.000 1.146 19 G CA -0.575 44.512 45.100 -0.021 0.000 0.913 19 G HN 0.947 nan 8.290 nan 0.000 0.554 20 G N 0.882 109.672 108.800 -0.017 0.000 4.178 20 G HA2 0.685 4.645 3.960 0.001 0.000 0.287 20 G HA3 0.685 4.645 3.960 0.001 0.000 0.287 20 G C 0.823 175.646 174.900 -0.130 0.000 1.293 20 G CA 0.863 45.917 45.100 -0.076 0.000 1.393 20 G HN 1.241 nan 8.290 nan 0.000 0.623 21 G N 0.155 108.901 108.800 -0.089 0.000 2.695 21 G HA2 0.374 4.335 3.960 0.001 0.000 0.213 21 G HA3 0.374 4.335 3.960 0.001 0.000 0.213 21 G C 1.255 176.070 174.900 -0.142 0.000 1.406 21 G CA 0.379 45.417 45.100 -0.104 0.000 1.049 21 G HN 0.199 nan 8.290 nan 0.000 0.573 22 S N -0.200 115.447 115.700 -0.089 0.000 2.359 22 S HA -0.141 4.329 4.470 0.001 0.000 0.222 22 S C 2.440 177.018 174.600 -0.037 0.000 1.038 22 S CA 1.943 60.106 58.200 -0.062 0.000 1.051 22 S CB -0.811 62.381 63.200 -0.013 0.000 0.944 22 S HN 0.756 nan 8.310 nan 0.000 0.433 23 G N 0.792 109.586 108.800 -0.009 0.000 2.404 23 G HA2 0.022 3.982 3.960 0.001 0.000 0.214 23 G HA3 0.022 3.982 3.960 0.001 0.000 0.214 23 G C 1.489 176.389 174.900 -0.001 0.000 1.189 23 G CA 0.866 45.971 45.100 0.009 0.000 0.789 23 G HN 0.572 nan 8.290 nan 0.000 0.533 24 G N 0.955 109.748 108.800 -0.012 0.000 2.440 24 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 24 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 24 G C 1.798 176.676 174.900 -0.037 0.000 1.154 24 G CA 0.825 45.914 45.100 -0.018 0.000 0.767 24 G HN 0.415 nan 8.290 nan 0.000 0.552 25 L N 0.464 121.640 121.223 -0.080 0.000 2.156 25 L HA 0.037 4.378 4.340 0.001 0.000 0.208 25 L C 3.345 180.204 176.870 -0.018 0.000 1.095 25 L CA 0.733 55.522 54.840 -0.084 0.000 0.770 25 L CB -0.335 41.601 42.059 -0.203 0.000 0.914 25 L HN 0.313 nan 8.230 nan 0.000 0.439 26 A N 0.244 123.060 122.820 -0.007 0.000 1.898 26 A HA -0.105 4.215 4.320 0.001 0.000 0.216 26 A C 2.546 180.147 177.584 0.028 0.000 1.181 26 A CA 1.560 53.608 52.037 0.018 0.000 0.620 26 A CB -0.560 18.450 19.000 0.016 0.000 0.819 26 A HN 0.366 nan 8.150 nan 0.000 0.442 27 A N -0.213 122.623 122.820 0.026 0.000 1.930 27 A HA 0.212 4.532 4.320 0.001 0.000 0.217 27 A C 2.457 180.077 177.584 0.059 0.000 1.175 27 A CA 1.939 54.003 52.037 0.045 0.000 0.627 27 A CB -0.854 18.169 19.000 0.038 0.000 0.815 27 A HN 0.955 nan 8.150 nan 0.000 0.443 28 A N -0.086 122.754 122.820 0.032 0.000 1.897 28 A HA -0.107 4.214 4.320 0.001 0.000 0.215 28 A C 2.161 179.763 177.584 0.031 0.000 1.181 28 A CA 1.765 53.818 52.037 0.027 0.000 0.620 28 A CB -0.418 18.582 19.000 -0.001 0.000 0.821 28 A HN 0.460 nan 8.150 nan 0.000 0.443 29 K N -0.279 120.137 120.400 0.027 0.000 2.097 29 K HA -0.205 4.115 4.320 0.001 0.000 0.206 29 K C 1.799 178.408 176.600 0.015 0.000 1.049 29 K CA 1.907 58.206 56.287 0.020 0.000 0.933 29 K CB -0.089 32.428 32.500 0.028 0.000 0.717 29 K HN 0.364 nan 8.250 nan 0.000 0.442 30 E N 0.399 120.627 120.200 0.046 0.000 2.076 30 E HA 0.014 4.364 4.350 0.001 0.000 0.190 30 E C 1.687 178.375 176.600 0.147 0.000 0.979 30 E CA 1.277 57.720 56.400 0.072 0.000 0.807 30 E CB -0.152 29.616 29.700 0.114 0.000 0.761 30 E HN 0.378 nan 8.360 nan 0.000 0.454 31 A N 0.568 123.506 122.820 0.198 0.000 1.969 31 A HA -0.016 4.305 4.320 0.001 0.000 0.218 31 A C 2.328 179.984 177.584 0.121 0.000 1.169 31 A CA 1.675 53.881 52.037 0.282 0.000 0.635 31 A CB -0.736 18.397 19.000 0.222 0.000 0.810 31 A HN 0.318 nan 8.150 nan 0.000 0.445 32 A N -0.058 122.781 122.820 0.032 0.000 2.015 32 A HA -0.119 4.202 4.320 0.001 0.000 0.219 32 A C 1.978 179.508 177.584 -0.089 0.000 1.163 32 A CA 1.552 53.576 52.037 -0.021 0.000 0.646 32 A CB -0.399 18.591 19.000 -0.017 0.000 0.806 32 A HN 0.539 nan 8.150 nan 0.000 0.448 33 K N -1.318 118.965 120.400 -0.196 0.000 2.281 33 K HA -0.117 4.203 4.320 0.001 0.000 0.203 33 K C 0.313 176.587 176.600 -0.545 0.000 1.046 33 K CA 1.237 57.266 56.287 -0.431 0.000 0.938 33 K CB -0.266 31.815 32.500 -0.698 0.000 0.737 33 K HN 0.632 nan 8.250 nan 0.000 0.458 34 F N 0.451 120.385 119.950 -0.027 0.000 2.641 34 F HA 0.077 4.605 4.527 0.001 0.000 0.302 34 F C -0.095 175.660 175.800 -0.076 0.000 1.098 34 F CA -0.615 57.363 58.000 -0.037 0.000 1.318 34 F CB 0.099 39.092 39.000 -0.012 0.000 1.035 34 F HN -0.018 nan 8.300 nan 0.000 0.551 35 D N 1.921 122.335 120.400 0.023 0.000 2.927 35 D HA -0.194 4.446 4.640 0.001 0.000 0.236 35 D C -0.547 175.737 176.300 -0.027 0.000 1.163 35 D CA 0.559 54.558 54.000 -0.002 0.000 0.801 35 D CB -0.287 40.518 40.800 0.008 0.000 0.975 35 D HN 0.017 nan 8.370 nan 0.000 0.413 36 K N 1.369 121.726 120.400 -0.072 0.000 2.340 36 K HA 0.432 4.753 4.320 0.001 0.000 0.244 36 K C 0.168 176.740 176.600 -0.048 0.000 0.973 36 K CA -0.866 55.344 56.287 -0.129 0.000 0.828 36 K CB 1.327 33.607 32.500 -0.367 0.000 1.226 36 K HN 0.093 nan 8.250 nan 0.000 0.437 37 K N 1.539 121.938 120.400 -0.002 0.000 2.316 37 K HA 0.308 4.628 4.320 0.001 0.000 0.289 37 K C -0.505 176.241 176.600 0.243 0.000 1.070 37 K CA -0.362 55.993 56.287 0.113 0.000 0.928 37 K CB 0.759 33.277 32.500 0.030 0.000 1.039 37 K HN 0.188 nan 8.250 nan 0.000 0.480 38 V N 4.498 124.541 119.914 0.216 0.000 2.656 38 V HA 0.448 4.568 4.120 0.001 0.000 0.307 38 V C -0.485 175.557 176.094 -0.087 0.000 1.051 38 V CA -0.950 61.389 62.300 0.065 0.000 0.893 38 V CB 1.857 33.684 31.823 0.006 0.000 0.999 38 V HN 0.785 nan 8.190 nan 0.000 0.426 39 M N 4.509 123.849 119.600 -0.432 0.000 2.326 39 M HA 0.706 5.187 4.480 0.001 0.000 0.306 39 M C -1.848 174.243 176.300 -0.348 0.000 1.054 39 M CA -0.523 54.420 55.300 -0.594 0.000 0.922 39 M CB 1.995 33.768 32.600 -1.378 0.000 1.632 39 M HN 0.454 nan 8.290 nan 0.000 0.436 40 V N 6.138 125.945 119.914 -0.179 0.000 2.394 40 V HA 0.442 4.562 4.120 0.001 0.000 0.282 40 V C -0.376 175.689 176.094 -0.048 0.000 1.031 40 V CA -0.610 61.647 62.300 -0.072 0.000 0.881 40 V CB 1.544 33.380 31.823 0.022 0.000 0.982 40 V HN 0.787 nan 8.190 nan 0.000 0.451 41 L N 4.526 125.701 121.223 -0.081 0.000 2.282 41 L HA 0.633 4.974 4.340 0.001 0.000 0.288 41 L C -0.725 176.158 176.870 0.022 0.000 1.033 41 L CA -0.197 54.600 54.840 -0.072 0.000 0.807 41 L CB 1.589 43.568 42.059 -0.133 0.000 1.209 41 L HN 0.656 nan 8.230 nan 0.000 0.423 42 D N 2.612 123.082 120.400 0.117 0.000 2.936 42 D HA 0.548 5.188 4.640 0.001 0.000 0.238 42 D C -1.674 174.749 176.300 0.204 0.000 1.248 42 D CA -0.192 53.903 54.000 0.160 0.000 0.903 42 D CB 1.768 42.690 40.800 0.202 0.000 1.544 42 D HN 0.244 nan 8.370 nan 0.000 0.543 43 F N 3.527 123.487 119.950 0.017 0.000 2.596 43 F HA 0.553 5.080 4.527 0.001 0.000 0.311 43 F C -1.632 174.169 175.800 0.002 0.000 1.116 43 F CA -0.663 57.353 58.000 0.027 0.000 0.957 43 F CB 1.742 40.808 39.000 0.110 0.000 1.250 43 F HN 0.146 nan 8.300 nan 0.000 0.444 44 V N 4.308 123.918 119.914 -0.507 0.000 2.293 44 V HA 0.265 4.385 4.120 0.001 0.000 0.275 44 V C -0.123 175.740 176.094 -0.385 0.000 1.021 44 V CA -0.607 61.430 62.300 -0.438 0.000 0.815 44 V CB 1.229 32.545 31.823 -0.844 0.000 1.025 44 V HN 0.837 nan 8.190 nan 0.000 0.448 45 T N 4.687 119.265 114.554 0.040 0.000 2.930 45 T HA 0.371 4.721 4.350 0.001 0.000 0.306 45 T C -2.287 172.336 174.700 -0.129 0.000 1.045 45 T CA -1.181 60.969 62.100 0.084 0.000 1.134 45 T CB 0.906 69.844 68.868 0.117 0.000 0.961 45 T HN 0.411 nan 8.240 nan 0.000 0.545 46 P HA 0.240 nan 4.420 nan 0.000 0.274 46 P C 0.523 177.807 177.300 -0.026 0.000 1.231 46 P CA -0.517 62.507 63.100 -0.126 0.000 0.790 46 P CB 0.225 31.886 31.700 -0.066 0.000 0.951 47 T N -0.736 113.842 114.554 0.040 0.000 2.802 47 T HA 0.115 4.465 4.350 0.001 0.000 0.305 47 T C -1.659 173.081 174.700 0.067 0.000 1.053 47 T CA -1.095 61.080 62.100 0.124 0.000 1.058 47 T CB -0.720 68.274 68.868 0.211 0.000 0.988 47 T HN 0.210 nan 8.240 nan 0.000 0.539 48 P HA -0.041 nan 4.420 nan 0.000 0.218 48 P C 1.176 178.476 177.300 0.000 0.000 1.146 48 P CA 1.080 64.161 63.100 -0.032 0.000 0.820 48 P CB -0.117 31.498 31.700 -0.142 0.000 0.778 49 L N -3.389 117.866 121.223 0.053 0.000 2.592 49 L HA 0.325 4.665 4.340 0.001 0.000 0.227 49 L C 1.370 178.279 176.870 0.065 0.000 1.127 49 L CA 0.597 55.473 54.840 0.060 0.000 0.884 49 L CB -0.535 41.582 42.059 0.095 0.000 1.065 49 L HN 0.109 nan 8.230 nan 0.000 0.457 50 G N -0.140 108.696 108.800 0.060 0.000 2.143 50 G HA2 -0.202 3.758 3.960 0.001 0.000 0.175 50 G HA3 -0.202 3.758 3.960 0.001 0.000 0.175 50 G C 0.192 175.122 174.900 0.051 0.000 1.004 50 G CA -0.167 44.957 45.100 0.040 0.000 0.671 50 G HN 0.186 nan 8.290 nan 0.000 0.512 51 T N 0.793 115.405 114.554 0.097 0.000 2.907 51 T HA 0.654 5.005 4.350 0.001 0.000 0.298 51 T C 0.562 175.303 174.700 0.068 0.000 1.017 51 T CA 0.274 62.468 62.100 0.156 0.000 1.118 51 T CB 1.485 70.519 68.868 0.277 0.000 0.948 51 T HN 0.500 nan 8.240 nan 0.000 0.531 52 R N 0.613 121.156 120.500 0.071 0.000 2.817 52 R HA 0.725 5.065 4.340 0.001 0.000 0.268 52 R C -1.461 174.877 176.300 0.064 0.000 1.027 52 R CA -0.906 55.065 56.100 -0.215 0.000 0.928 52 R CB 1.949 32.137 30.300 -0.188 0.000 1.228 52 R HN 0.831 nan 8.270 nan 0.000 0.469 53 W N -1.230 120.041 121.300 -0.048 0.000 2.826 53 W HA 0.746 5.406 4.660 0.001 0.000 0.410 53 W C -0.795 175.670 176.519 -0.090 0.000 1.128 53 W CA -1.131 56.188 57.345 -0.045 0.000 1.176 53 W CB -0.012 29.439 29.460 -0.015 0.000 1.475 53 W HN 0.675 nan 8.180 nan 0.000 0.588 54 G N 0.281 109.208 108.800 0.212 0.000 2.642 54 G HA2 0.541 4.501 3.960 0.001 0.000 0.291 54 G HA3 0.541 4.501 3.960 0.001 0.000 0.291 54 G C -1.215 173.696 174.900 0.020 0.000 1.345 54 G CA -1.170 43.931 45.100 0.002 0.000 1.043 54 G HN 0.744 nan 8.290 nan 0.000 0.528 55 L N 0.011 121.162 121.223 -0.120 0.000 2.506 55 L HA 0.404 4.745 4.340 0.001 0.000 0.281 55 L C 1.476 178.265 176.870 -0.135 0.000 1.228 55 L CA 2.333 57.072 54.840 -0.169 0.000 0.850 55 L CB 0.892 42.731 42.059 -0.365 0.000 1.110 55 L HN 1.306 nan 8.230 nan 0.000 0.496 56 G N 1.031 109.691 108.800 -0.234 0.000 2.421 56 G HA2 0.276 4.236 3.960 0.001 0.000 0.188 56 G HA3 0.276 4.236 3.960 0.001 0.000 0.188 56 G C 0.812 175.590 174.900 -0.202 0.000 1.001 56 G CA 0.129 45.013 45.100 -0.360 0.000 0.693 56 G HN 1.877 nan 8.290 nan 0.000 0.479 57 G N -1.053 107.727 108.800 -0.033 0.000 2.615 57 G HA2 0.078 4.038 3.960 0.001 0.000 0.218 57 G HA3 0.078 4.038 3.960 0.001 0.000 0.218 57 G C 0.772 175.699 174.900 0.043 0.000 1.339 57 G CA 0.751 45.875 45.100 0.040 0.000 0.884 57 G HN 1.136 nan 8.290 nan 0.000 0.559 58 T N -0.474 114.106 114.554 0.044 0.000 2.770 58 T HA -0.127 4.224 4.350 0.001 0.000 0.263 58 T C 2.465 177.120 174.700 -0.076 0.000 1.039 58 T CA 2.476 64.575 62.100 -0.002 0.000 1.142 58 T CB -0.569 68.334 68.868 0.059 0.000 0.868 58 T HN 1.057 nan 8.240 nan 0.000 0.435 59 c N 1.255 119.830 118.600 -0.041 0.000 2.413 59 c HA -0.049 4.521 4.570 0.001 0.000 0.276 59 c C 2.742 176.773 174.090 -0.098 0.000 1.248 59 c CA 0.644 56.943 56.329 -0.050 0.000 1.742 59 c CB -1.205 41.297 42.510 -0.014 0.000 2.017 59 c HN 0.361 nan 8.230 nan 0.000 0.481 60 V N 1.580 121.441 119.914 -0.088 0.000 2.379 60 V HA -0.121 4.000 4.120 0.001 0.000 0.245 60 V C 2.247 178.249 176.094 -0.154 0.000 1.044 60 V CA 2.287 64.543 62.300 -0.074 0.000 1.036 60 V CB -0.611 31.206 31.823 -0.011 0.000 0.664 60 V HN 0.596 nan 8.190 nan 0.000 0.453 61 N N -0.021 118.532 118.700 -0.245 0.000 2.432 61 N HA 0.025 4.765 4.740 0.001 0.000 0.174 61 N C 1.069 176.280 175.510 -0.499 0.000 1.037 61 N CA 1.573 54.383 53.050 -0.400 0.000 0.892 61 N CB 1.271 39.345 38.487 -0.688 0.000 1.049 61 N HN 0.535 nan 8.380 nan 0.000 0.442 62 V N -3.815 115.817 119.914 -0.470 0.000 3.399 62 V HA 0.616 4.736 4.120 0.001 0.000 0.357 62 V C 0.453 176.451 176.094 -0.160 0.000 1.480 62 V CA -0.189 61.925 62.300 -0.311 0.000 1.263 62 V CB 0.531 32.054 31.823 -0.499 0.000 1.103 62 V HN 0.121 nan 8.190 nan 0.000 0.533 63 G N 0.044 108.679 108.800 -0.276 0.000 3.382 63 G HA2 0.235 4.196 3.960 0.001 0.000 0.183 63 G HA3 0.235 4.196 3.960 0.001 0.000 0.183 63 G C 0.993 175.762 174.900 -0.218 0.000 1.246 63 G CA 0.659 45.672 45.100 -0.145 0.000 0.828 63 G HN 0.279 nan 8.290 nan 0.000 0.728 64 c N 1.053 119.601 118.600 -0.087 0.000 2.363 64 c HA -0.113 4.457 4.570 0.001 0.000 0.274 64 c C 2.718 176.685 174.090 -0.205 0.000 1.183 64 c CA 0.698 56.976 56.329 -0.085 0.000 1.771 64 c CB -1.433 41.061 42.510 -0.027 0.000 2.059 64 c HN 0.404 nan 8.230 nan 0.000 0.455 65 I N 2.370 122.814 120.570 -0.209 0.000 2.110 65 I HA -0.081 4.089 4.170 0.001 0.000 0.236 65 I C 0.139 176.067 176.117 -0.315 0.000 1.068 65 I CA 1.731 62.911 61.300 -0.200 0.000 1.333 65 I CB -2.789 35.150 38.000 -0.102 0.000 1.054 65 I HN 0.237 nan 8.210 nan 0.000 0.402 66 P HA -0.161 nan 4.420 nan 0.000 0.221 66 P C 1.614 178.470 177.300 -0.740 0.000 1.150 66 P CA 1.356 64.084 63.100 -0.619 0.000 0.800 66 P CB -0.073 31.134 31.700 -0.821 0.000 0.787 67 K N 1.180 121.115 120.400 -0.776 0.000 2.025 67 K HA -0.162 4.158 4.320 0.001 0.000 0.207 67 K C 2.133 178.569 176.600 -0.273 0.000 1.049 67 K CA 1.573 57.641 56.287 -0.365 0.000 0.933 67 K CB -0.350 32.096 32.500 -0.090 0.000 0.714 67 K HN -0.106 nan 8.250 nan 0.000 0.438 68 K N 1.057 121.269 120.400 -0.314 0.000 2.097 68 K HA -0.018 4.302 4.320 0.001 0.000 0.205 68 K C 2.181 178.639 176.600 -0.238 0.000 1.050 68 K CA 0.950 57.038 56.287 -0.330 0.000 0.938 68 K CB -0.195 32.039 32.500 -0.444 0.000 0.718 68 K HN 0.145 nan 8.250 nan 0.000 0.442 69 L N -0.108 120.949 121.223 -0.276 0.000 2.093 69 L HA -0.107 4.233 4.340 0.001 0.000 0.208 69 L C 2.426 179.134 176.870 -0.270 0.000 1.085 69 L CA 1.129 55.820 54.840 -0.249 0.000 0.755 69 L CB -0.301 41.613 42.059 -0.242 0.000 0.904 69 L HN 0.274 nan 8.230 nan 0.000 0.435 70 M N -1.448 117.915 119.600 -0.395 0.000 2.200 70 M HA -0.190 4.290 4.480 0.001 0.000 0.265 70 M C 2.322 178.390 176.300 -0.386 0.000 1.066 70 M CA 1.295 56.255 55.300 -0.568 0.000 1.127 70 M CB -0.635 31.285 32.600 -1.133 0.000 1.379 70 M HN 0.250 nan 8.290 nan 0.000 0.420 71 H N 0.699 119.571 119.070 -0.329 0.000 2.352 71 H HA -0.227 4.330 4.556 0.001 0.000 0.299 71 H C 2.019 177.324 175.328 -0.038 0.000 1.097 71 H CA 2.264 58.292 56.048 -0.033 0.000 1.311 71 H CB -0.113 29.658 29.762 0.014 0.000 1.377 71 H HN 0.258 nan 8.280 nan 0.000 0.504 72 Q N 0.294 119.995 119.800 -0.164 0.000 2.124 72 Q HA -0.020 4.320 4.340 0.001 0.000 0.202 72 Q C 2.360 178.266 176.000 -0.157 0.000 0.977 72 Q CA 1.740 57.425 55.803 -0.197 0.000 0.850 72 Q CB -0.697 27.948 28.738 -0.155 0.000 0.901 72 Q HN 0.556 nan 8.270 nan 0.000 0.429 73 A N 0.067 122.805 122.820 -0.136 0.000 1.933 73 A HA -0.018 4.303 4.320 0.001 0.000 0.218 73 A C 2.239 179.771 177.584 -0.087 0.000 1.175 73 A CA 1.760 53.743 52.037 -0.090 0.000 0.628 73 A CB -0.995 17.961 19.000 -0.073 0.000 0.814 73 A HN 0.504 nan 8.150 nan 0.000 0.444 74 A N -0.240 122.537 122.820 -0.073 0.000 1.872 74 A HA 0.045 4.366 4.320 0.001 0.000 0.214 74 A C 2.132 179.675 177.584 -0.068 0.000 1.187 74 A CA 1.294 53.315 52.037 -0.026 0.000 0.614 74 A CB -0.592 18.466 19.000 0.097 0.000 0.826 74 A HN 0.444 nan 8.150 nan 0.000 0.442 75 L N -0.469 120.661 121.223 -0.154 0.000 2.042 75 L HA -0.207 4.133 4.340 0.001 0.000 0.210 75 L C 2.498 179.322 176.870 -0.076 0.000 1.076 75 L CA 1.124 55.885 54.840 -0.132 0.000 0.749 75 L CB -0.542 41.399 42.059 -0.196 0.000 0.893 75 L HN 0.374 nan 8.230 nan 0.000 0.432 76 L N -0.700 120.476 121.223 -0.079 0.000 2.131 76 L HA -0.123 4.217 4.340 0.001 0.000 0.210 76 L C 2.651 179.500 176.870 -0.035 0.000 1.092 76 L CA 1.086 55.892 54.840 -0.057 0.000 0.759 76 L CB -1.069 40.955 42.059 -0.058 0.000 0.903 76 L HN 0.322 nan 8.230 nan 0.000 0.435 77 G N -0.621 108.163 108.800 -0.026 0.000 2.446 77 G HA2 -0.355 3.605 3.960 0.001 0.000 0.217 77 G HA3 -0.355 3.605 3.960 0.001 0.000 0.217 77 G C 1.495 176.390 174.900 -0.008 0.000 1.168 77 G CA 0.756 45.851 45.100 -0.007 0.000 0.771 77 G HN 0.265 nan 8.290 nan 0.000 0.551 78 Q N 0.839 120.627 119.800 -0.020 0.000 2.061 78 Q HA 0.051 4.391 4.340 0.001 0.000 0.204 78 Q C 2.706 178.699 176.000 -0.011 0.000 0.984 78 Q CA 2.069 57.856 55.803 -0.027 0.000 0.846 78 Q CB -0.777 27.930 28.738 -0.051 0.000 0.902 78 Q HN 0.382 nan 8.270 nan 0.000 0.421 79 A N 0.211 123.022 122.820 -0.015 0.000 1.908 79 A HA -0.165 4.155 4.320 0.001 0.000 0.218 79 A C 2.141 179.720 177.584 -0.008 0.000 1.181 79 A CA 1.525 53.555 52.037 -0.012 0.000 0.627 79 A CB -0.867 18.108 19.000 -0.043 0.000 0.818 79 A HN 0.468 nan 8.150 nan 0.000 0.445 80 L N -0.974 120.240 121.223 -0.016 0.000 2.043 80 L HA -0.266 4.074 4.340 0.001 0.000 0.212 80 L C 2.640 179.532 176.870 0.036 0.000 1.075 80 L CA 2.082 56.919 54.840 -0.004 0.000 0.752 80 L CB -0.558 41.502 42.059 0.001 0.000 0.891 80 L HN 0.397 nan 8.230 nan 0.000 0.432 81 K N -0.115 120.307 120.400 0.037 0.000 2.026 81 K HA -0.166 4.155 4.320 0.001 0.000 0.208 81 K C 1.761 178.414 176.600 0.089 0.000 1.048 81 K CA 1.611 57.930 56.287 0.053 0.000 0.929 81 K CB -0.153 32.366 32.500 0.032 0.000 0.713 81 K HN 0.221 nan 8.250 nan 0.000 0.439 82 D N 0.272 120.733 120.400 0.102 0.000 2.182 82 D HA -0.150 4.490 4.640 0.001 0.000 0.201 82 D C 1.932 178.420 176.300 0.312 0.000 0.986 82 D CA 1.569 55.685 54.000 0.195 0.000 0.847 82 D CB -0.368 40.563 40.800 0.219 0.000 0.942 82 D HN 0.214 nan 8.370 nan 0.000 0.467 83 S N 0.345 116.191 115.700 0.243 0.000 2.440 83 S HA -0.219 4.251 4.470 0.001 0.000 0.238 83 S C 1.914 176.766 174.600 0.420 0.000 1.010 83 S CA 0.990 59.404 58.200 0.356 0.000 0.972 83 S CB -0.223 63.070 63.200 0.154 0.000 0.774 83 S HN 0.208 nan 8.310 nan 0.000 0.501 84 R N 1.597 122.254 120.500 0.261 0.000 2.075 84 R HA 0.036 4.376 4.340 0.001 0.000 0.232 84 R C 1.795 178.184 176.300 0.148 0.000 1.126 84 R CA 1.537 57.752 56.100 0.192 0.000 0.963 84 R CB -0.360 30.012 30.300 0.121 0.000 0.858 84 R HN 0.353 nan 8.270 nan 0.000 0.435 85 N N -0.468 118.303 118.700 0.118 0.000 2.459 85 N HA -0.107 4.633 4.740 0.001 0.000 0.181 85 N C 0.352 175.817 175.510 -0.075 0.000 1.046 85 N CA 0.881 53.922 53.050 -0.015 0.000 0.904 85 N CB 0.085 38.508 38.487 -0.105 0.000 0.964 85 N HN 0.359 nan 8.380 nan 0.000 0.444 86 Y N -0.787 119.567 120.300 0.090 0.000 2.461 86 Y HA 0.268 4.818 4.550 0.001 0.000 0.277 86 Y C 1.590 177.449 175.900 -0.068 0.000 1.182 86 Y CA 0.175 58.313 58.100 0.063 0.000 1.276 86 Y CB 0.396 38.956 38.460 0.167 0.000 1.087 86 Y HN 0.073 nan 8.280 nan 0.000 0.519 87 G N -1.487 107.344 108.800 0.053 0.000 2.163 87 G HA2 -0.250 3.711 3.960 0.001 0.000 0.213 87 G HA3 -0.250 3.711 3.960 0.001 0.000 0.213 87 G C -0.389 174.382 174.900 -0.214 0.000 0.991 87 G CA -0.691 44.333 45.100 -0.127 0.000 0.653 87 G HN 0.277 nan 8.290 nan 0.000 0.518 88 W N 1.721 123.068 121.300 0.079 0.000 2.345 88 W HA 0.590 5.250 4.660 0.001 0.000 0.308 88 W C 0.968 177.513 176.519 0.043 0.000 1.273 88 W CA -0.669 56.709 57.345 0.054 0.000 1.243 88 W CB 0.700 30.191 29.460 0.052 0.000 1.260 88 W HN -0.023 nan 8.180 nan 0.000 0.509 89 K N 3.826 124.362 120.400 0.226 0.000 2.686 89 K HA 0.054 4.374 4.320 0.001 0.000 0.244 89 K C -0.106 176.582 176.600 0.146 0.000 1.262 89 K CA -0.334 56.038 56.287 0.142 0.000 1.199 89 K CB -0.295 32.259 32.500 0.090 0.000 1.428 89 K HN 0.197 nan 8.250 nan 0.000 0.247 90 L N 1.796 123.112 121.223 0.155 0.000 2.418 90 L HA 0.113 4.453 4.340 0.001 0.000 0.265 90 L C 0.683 177.601 176.870 0.080 0.000 1.143 90 L CA -0.199 54.708 54.840 0.112 0.000 0.809 90 L CB 0.939 43.063 42.059 0.107 0.000 1.124 90 L HN 0.442 nan 8.230 nan 0.000 0.456 91 E N 1.159 121.396 120.200 0.062 0.000 3.218 91 E HA 0.065 4.416 4.350 0.001 0.000 0.265 91 E C 0.156 176.784 176.600 0.047 0.000 1.393 91 E CA 0.088 56.517 56.400 0.049 0.000 1.160 91 E CB 0.124 29.848 29.700 0.041 0.000 1.272 91 E HN 0.592 nan 8.360 nan 0.000 0.720 92 D N -1.475 118.949 120.400 0.039 0.000 2.305 92 D HA 0.077 4.717 4.640 0.001 0.000 0.206 92 D C -0.504 175.817 176.300 0.036 0.000 0.974 92 D CA 0.767 54.789 54.000 0.037 0.000 0.871 92 D CB 0.243 41.061 40.800 0.031 0.000 0.947 92 D HN 0.464 nan 8.370 nan 0.000 0.516 93 T N -0.130 114.446 114.554 0.036 0.000 3.071 93 T HA 0.398 4.748 4.350 0.001 0.000 0.311 93 T C -0.582 174.143 174.700 0.041 0.000 1.042 93 T CA -0.706 61.417 62.100 0.038 0.000 1.028 93 T CB 2.594 71.483 68.868 0.036 0.000 1.068 93 T HN -0.301 nan 8.240 nan 0.000 0.451 94 V N 3.292 123.233 119.914 0.046 0.000 2.384 94 V HA 0.448 4.568 4.120 0.001 0.000 0.287 94 V C 0.198 176.333 176.094 0.069 0.000 1.020 94 V CA -0.950 61.379 62.300 0.049 0.000 0.850 94 V CB 1.458 33.308 31.823 0.044 0.000 0.987 94 V HN 0.719 nan 8.190 nan 0.000 0.436 95 K N 2.966 123.406 120.400 0.068 0.000 2.154 95 K HA 0.368 4.689 4.320 0.001 0.000 0.264 95 K C -0.142 176.535 176.600 0.127 0.000 1.008 95 K CA -0.512 55.831 56.287 0.093 0.000 0.937 95 K CB 0.662 33.204 32.500 0.071 0.000 1.002 95 K HN 0.754 nan 8.250 nan 0.000 0.469 96 H N 1.250 120.359 119.070 0.066 0.000 2.479 96 H HA 0.141 4.697 4.556 0.001 0.000 0.335 96 H C -1.276 174.114 175.328 0.104 0.000 1.142 96 H CA -0.478 55.617 56.048 0.079 0.000 1.234 96 H CB 1.682 31.506 29.762 0.103 0.000 1.503 96 H HN 0.543 nan 8.280 nan 0.000 0.510 97 D N 4.980 125.057 120.400 -0.538 0.000 2.461 97 D HA -0.032 4.609 4.640 0.001 0.000 0.240 97 D C 0.989 177.134 176.300 -0.258 0.000 1.094 97 D CA -0.560 53.290 54.000 -0.251 0.000 0.868 97 D CB 0.095 40.796 40.800 -0.164 0.000 1.062 97 D HN 0.635 nan 8.370 nan 0.000 0.530 98 W N 4.510 125.763 121.300 -0.078 0.000 2.321 98 W HA -0.188 4.472 4.660 0.001 0.000 0.306 98 W C 0.934 177.460 176.519 0.013 0.000 1.217 98 W CA 1.390 58.776 57.345 0.068 0.000 1.257 98 W CB 0.282 29.823 29.460 0.135 0.000 1.145 98 W HN 0.533 nan 8.180 nan 0.000 0.509 99 E N 0.261 120.594 120.200 0.222 0.000 2.072 99 E HA -0.266 4.085 4.350 0.001 0.000 0.191 99 E C 1.957 178.539 176.600 -0.031 0.000 0.985 99 E CA 1.512 57.987 56.400 0.125 0.000 0.801 99 E CB -0.418 29.378 29.700 0.160 0.000 0.750 99 E HN 0.021 nan 8.360 nan 0.000 0.452 100 K N 1.606 121.969 120.400 -0.063 0.000 2.063 100 K HA -0.154 4.166 4.320 0.001 0.000 0.208 100 K C 2.058 178.573 176.600 -0.142 0.000 1.048 100 K CA 1.391 57.621 56.287 -0.096 0.000 0.928 100 K CB -0.290 32.146 32.500 -0.107 0.000 0.713 100 K HN 0.088 nan 8.250 nan 0.000 0.442 101 M N 0.442 119.915 119.600 -0.211 0.000 2.086 101 M HA -0.185 4.295 4.480 0.001 0.000 0.261 101 M C 1.813 177.955 176.300 -0.264 0.000 1.067 101 M CA 2.540 57.709 55.300 -0.219 0.000 1.116 101 M CB -0.483 32.002 32.600 -0.191 0.000 1.348 101 M HN 0.435 nan 8.290 nan 0.000 0.407 102 T N -2.463 111.864 114.554 -0.379 0.000 2.995 102 T HA -0.125 4.225 4.350 0.001 0.000 0.269 102 T C 1.581 176.199 174.700 -0.136 0.000 1.091 102 T CA 1.364 63.276 62.100 -0.314 0.000 1.128 102 T CB -0.476 68.155 68.868 -0.395 0.000 0.891 102 T HN 0.621 nan 8.240 nan 0.000 0.492 103 E N 1.172 121.311 120.200 -0.101 0.000 2.051 103 E HA -0.140 4.210 4.350 0.001 0.000 0.192 103 E C 2.259 178.833 176.600 -0.042 0.000 0.991 103 E CA 1.371 57.745 56.400 -0.044 0.000 0.799 103 E CB -0.248 29.434 29.700 -0.029 0.000 0.748 103 E HN 0.572 nan 8.360 nan 0.000 0.449 104 S N 0.056 115.717 115.700 -0.066 0.000 2.368 104 S HA -0.133 4.337 4.470 0.001 0.000 0.225 104 S C 2.049 176.625 174.600 -0.040 0.000 1.030 104 S CA 1.134 59.302 58.200 -0.053 0.000 0.999 104 S CB -0.153 63.001 63.200 -0.076 0.000 0.844 104 S HN 0.154 nan 8.310 nan 0.000 0.459 105 V N 1.890 121.759 119.914 -0.075 0.000 2.343 105 V HA -0.150 3.970 4.120 0.001 0.000 0.247 105 V C 2.589 178.676 176.094 -0.012 0.000 1.051 105 V CA 1.478 63.740 62.300 -0.064 0.000 1.036 105 V CB -0.547 31.202 31.823 -0.123 0.000 0.654 105 V HN 0.405 nan 8.190 nan 0.000 0.451 106 Q N -0.439 119.353 119.800 -0.013 0.000 2.172 106 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 106 Q C 2.172 178.192 176.000 0.034 0.000 0.964 106 Q CA 0.848 56.660 55.803 0.015 0.000 0.855 106 Q CB -0.592 28.162 28.738 0.028 0.000 0.918 106 Q HN 0.642 nan 8.270 nan 0.000 0.444 107 N N 0.153 118.873 118.700 0.033 0.000 2.104 107 N HA -0.194 4.546 4.740 0.001 0.000 0.190 107 N C 1.721 177.268 175.510 0.062 0.000 1.024 107 N CA 1.222 54.299 53.050 0.045 0.000 0.853 107 N CB -0.051 38.456 38.487 0.033 0.000 1.008 107 N HN 0.348 nan 8.380 nan 0.000 0.424 108 H N 1.024 120.077 119.070 -0.028 0.000 2.333 108 H HA 0.113 4.670 4.556 0.001 0.000 0.302 108 H C 2.214 177.532 175.328 -0.016 0.000 1.075 108 H CA 1.206 57.234 56.048 -0.033 0.000 1.348 108 H CB -0.268 29.456 29.762 -0.062 0.000 1.393 108 H HN 0.116 nan 8.280 nan 0.000 0.509 109 I N 0.012 120.545 120.570 -0.062 0.000 2.151 109 I HA -0.261 3.909 4.170 0.001 0.000 0.243 109 I C 2.709 178.790 176.117 -0.059 0.000 1.080 109 I CA 1.485 62.727 61.300 -0.096 0.000 1.339 109 I CB -0.665 37.308 38.000 -0.045 0.000 1.039 109 I HN 0.500 nan 8.210 nan 0.000 0.409 110 G N 0.018 108.829 108.800 0.017 0.000 2.450 110 G HA2 -0.320 3.640 3.960 0.001 0.000 0.220 110 G HA3 -0.320 3.640 3.960 0.001 0.000 0.220 110 G C 1.778 176.779 174.900 0.168 0.000 1.130 110 G CA 1.201 46.374 45.100 0.122 0.000 0.760 110 G HN 0.517 nan 8.290 nan 0.000 0.557 111 S N 0.087 115.804 115.700 0.029 0.000 2.414 111 S HA 0.101 4.571 4.470 0.001 0.000 0.227 111 S C 2.353 176.911 174.600 -0.069 0.000 1.022 111 S CA 0.703 58.910 58.200 0.011 0.000 0.958 111 S CB -0.250 62.920 63.200 -0.051 0.000 0.797 111 S HN 0.301 nan 8.310 nan 0.000 0.493 112 L N 1.647 122.754 121.223 -0.193 0.000 2.056 112 L HA -0.082 4.259 4.340 0.001 0.000 0.207 112 L C 2.560 179.423 176.870 -0.010 0.000 1.078 112 L CA 1.645 56.376 54.840 -0.183 0.000 0.749 112 L CB -1.031 40.924 42.059 -0.173 0.000 0.901 112 L HN 0.410 nan 8.230 nan 0.000 0.433 113 N N -0.676 118.035 118.700 0.019 0.000 2.036 113 N HA -0.251 4.490 4.740 0.001 0.000 0.195 113 N C 1.638 177.078 175.510 -0.116 0.000 1.037 113 N CA 1.904 54.922 53.050 -0.053 0.000 0.855 113 N CB -0.252 38.126 38.487 -0.182 0.000 1.033 113 N HN 0.296 nan 8.380 nan 0.000 0.423 114 W N 0.749 122.035 121.300 -0.023 0.000 2.518 114 W HA 0.161 4.821 4.660 0.001 0.000 0.273 114 W C 2.519 178.996 176.519 -0.070 0.000 1.247 114 W CA 0.522 57.847 57.345 -0.033 0.000 1.288 114 W CB -0.694 28.749 29.460 -0.029 0.000 1.107 114 W HN 0.096 nan 8.180 nan 0.000 0.586 115 G N 0.043 108.872 108.800 0.047 0.000 2.476 115 G HA2 -0.342 3.618 3.960 0.001 0.000 0.218 115 G HA3 -0.342 3.618 3.960 0.001 0.000 0.218 115 G C 1.138 175.941 174.900 -0.161 0.000 1.164 115 G CA 1.287 46.313 45.100 -0.122 0.000 0.768 115 G HN 0.241 nan 8.290 nan 0.000 0.560 116 Y N 0.031 120.283 120.300 -0.080 0.000 2.263 116 Y HA 0.101 4.651 4.550 0.001 0.000 0.292 116 Y C 2.904 178.703 175.900 -0.168 0.000 1.130 116 Y CA 1.103 59.125 58.100 -0.129 0.000 1.179 116 Y CB -0.240 38.114 38.460 -0.178 0.000 0.998 116 Y HN 0.101 nan 8.280 nan 0.000 0.532 117 R N -0.358 120.124 120.500 -0.029 0.000 2.092 117 R HA -0.107 4.234 4.340 0.001 0.000 0.231 117 R C 2.019 178.333 176.300 0.023 0.000 1.119 117 R CA 1.277 57.309 56.100 -0.114 0.000 0.970 117 R CB -0.410 29.787 30.300 -0.172 0.000 0.864 117 R HN 0.155 nan 8.270 nan 0.000 0.440 118 V N 0.611 120.568 119.914 0.072 0.000 2.323 118 V HA -0.165 3.956 4.120 0.001 0.000 0.244 118 V C 2.359 178.470 176.094 0.029 0.000 1.041 118 V CA 1.775 64.116 62.300 0.069 0.000 1.025 118 V CB -0.574 31.290 31.823 0.069 0.000 0.656 118 V HN 0.534 nan 8.190 nan 0.000 0.451 119 A N 0.057 122.879 122.820 0.003 0.000 1.892 119 A HA -0.245 4.075 4.320 0.001 0.000 0.218 119 A C 2.211 179.805 177.584 0.017 0.000 1.188 119 A CA 2.221 54.258 52.037 -0.000 0.000 0.631 119 A CB -0.705 18.290 19.000 -0.008 0.000 0.822 119 A HN 0.502 nan 8.150 nan 0.000 0.447 120 L N -1.336 119.899 121.223 0.020 0.000 2.012 120 L HA -0.239 4.102 4.340 0.001 0.000 0.210 120 L C 2.853 179.745 176.870 0.037 0.000 1.073 120 L CA 1.982 56.833 54.840 0.018 0.000 0.748 120 L CB -0.578 41.474 42.059 -0.012 0.000 0.891 120 L HN 0.483 nan 8.230 nan 0.000 0.431 121 R N 0.073 120.603 120.500 0.049 0.000 2.091 121 R HA -0.183 4.158 4.340 0.001 0.000 0.238 121 R C 2.220 178.544 176.300 0.040 0.000 1.136 121 R CA 1.485 57.620 56.100 0.060 0.000 0.959 121 R CB -0.017 30.328 30.300 0.074 0.000 0.856 121 R HN 0.313 nan 8.270 nan 0.000 0.437 122 E N 0.466 120.683 120.200 0.028 0.000 2.150 122 E HA -0.131 4.220 4.350 0.001 0.000 0.193 122 E C 1.478 178.082 176.600 0.008 0.000 0.985 122 E CA 0.938 57.346 56.400 0.014 0.000 0.814 122 E CB 0.057 29.760 29.700 0.004 0.000 0.752 122 E HN 0.192 nan 8.360 nan 0.000 0.466 123 K N 0.696 121.101 120.400 0.008 0.000 2.458 123 K HA 0.050 4.370 4.320 0.001 0.000 0.194 123 K C 0.098 176.703 176.600 0.009 0.000 1.024 123 K CA -0.041 56.246 56.287 0.000 0.000 1.108 123 K CB 0.199 32.698 32.500 -0.002 0.000 0.846 123 K HN 0.080 nan 8.250 nan 0.000 0.518 124 K N 0.096 120.509 120.400 0.022 0.000 3.071 124 K HA -0.135 4.185 4.320 0.001 0.000 0.265 124 K C -0.533 176.096 176.600 0.049 0.000 1.060 124 K CA 0.245 56.553 56.287 0.035 0.000 0.767 124 K CB -1.815 30.700 32.500 0.025 0.000 1.241 124 K HN -0.086 nan 8.250 nan 0.000 0.486 125 V N 1.245 121.188 119.914 0.048 0.000 2.465 125 V HA 0.176 4.296 4.120 0.001 0.000 0.279 125 V C 0.837 176.975 176.094 0.073 0.000 1.045 125 V CA -0.855 61.475 62.300 0.051 0.000 0.938 125 V CB 1.735 33.574 31.823 0.027 0.000 0.986 125 V HN 0.048 nan 8.190 nan 0.000 0.467 126 V N 5.811 125.769 119.914 0.073 0.000 2.479 126 V HA 0.101 4.221 4.120 0.001 0.000 0.281 126 V C -0.397 175.719 176.094 0.037 0.000 1.031 126 V CA -0.040 62.300 62.300 0.067 0.000 1.038 126 V CB 0.371 32.252 31.823 0.096 0.000 0.981 126 V HN 0.747 nan 8.190 nan 0.000 0.478 127 Y N 4.943 125.210 120.300 -0.054 0.000 2.352 127 Y HA 0.696 5.247 4.550 0.001 0.000 0.339 127 Y C -0.327 175.538 175.900 -0.059 0.000 0.992 127 Y CA -1.372 56.684 58.100 -0.073 0.000 1.100 127 Y CB 1.680 40.112 38.460 -0.047 0.000 1.192 127 Y HN 0.646 nan 8.280 nan 0.000 0.458 128 E N 4.571 124.389 120.200 -0.638 0.000 2.244 128 E HA 0.209 4.559 4.350 0.001 0.000 0.260 128 E C -1.215 174.972 176.600 -0.689 0.000 0.884 128 E CA -0.375 55.691 56.400 -0.557 0.000 0.777 128 E CB 0.663 30.190 29.700 -0.289 0.000 1.197 128 E HN 0.742 nan 8.360 nan 0.000 0.416 129 N N 3.216 121.493 118.700 -0.704 0.000 2.739 129 N HA 0.383 5.124 4.740 0.001 0.000 0.266 129 N C -1.221 174.316 175.510 0.046 0.000 1.168 129 N CA 0.141 52.986 53.050 -0.343 0.000 1.055 129 N CB 0.031 38.371 38.487 -0.245 0.000 1.393 129 N HN 0.407 nan 8.380 nan 0.000 0.514 130 A N 2.723 125.621 122.820 0.131 0.000 2.612 130 A HA 0.251 4.571 4.320 0.001 0.000 0.293 130 A C -1.983 175.665 177.584 0.107 0.000 1.075 130 A CA -0.641 51.497 52.037 0.168 0.000 0.680 130 A CB 0.801 19.827 19.000 0.043 0.000 1.279 130 A HN 0.576 nan 8.150 nan 0.000 0.411 131 Y N 1.189 121.336 120.300 -0.254 0.000 2.365 131 Y HA 0.490 5.041 4.550 0.001 0.000 0.340 131 Y C 0.839 176.640 175.900 -0.165 0.000 1.016 131 Y CA 0.515 58.456 58.100 -0.266 0.000 1.196 131 Y CB 1.018 39.138 38.460 -0.566 0.000 1.167 131 Y HN 0.850 nan 8.280 nan 0.000 0.509 132 G N 5.954 114.464 108.800 -0.482 0.000 2.353 132 G HA2 0.395 4.356 3.960 0.001 0.000 0.284 132 G HA3 0.395 4.356 3.960 0.001 0.000 0.284 132 G C -1.418 173.240 174.900 -0.404 0.000 1.172 132 G CA -0.705 44.175 45.100 -0.366 0.000 0.854 132 G HN 0.625 nan 8.290 nan 0.000 0.485 133 K N 2.273 122.530 120.400 -0.238 0.000 2.565 133 K HA 0.339 4.659 4.320 0.001 0.000 0.249 133 K C -1.080 175.418 176.600 -0.170 0.000 0.958 133 K CA -0.791 55.402 56.287 -0.157 0.000 0.806 133 K CB 1.275 33.792 32.500 0.029 0.000 1.194 133 K HN 0.279 nan 8.250 nan 0.000 0.434 134 F N 4.718 124.613 119.950 -0.092 0.000 2.578 134 F HA 0.058 4.586 4.527 0.001 0.000 0.376 134 F C 1.582 177.346 175.800 -0.059 0.000 1.085 134 F CA 0.150 58.072 58.000 -0.129 0.000 1.260 134 F CB 0.426 39.309 39.000 -0.196 0.000 1.095 134 F HN 0.496 nan 8.300 nan 0.000 0.573 135 I N -0.385 120.288 120.570 0.173 0.000 4.181 135 I HA 0.639 4.809 4.170 0.001 0.000 0.331 135 I C 0.740 176.916 176.117 0.097 0.000 1.312 135 I CA 0.176 61.542 61.300 0.110 0.000 1.146 135 I CB 0.266 38.317 38.000 0.085 0.000 1.074 135 I HN 0.548 nan 8.210 nan 0.000 0.402 136 G N 1.429 110.297 108.800 0.113 0.000 2.320 136 G HA2 0.297 4.257 3.960 0.001 0.000 0.296 136 G HA3 0.297 4.257 3.960 0.001 0.000 0.296 136 G C -3.252 171.708 174.900 0.100 0.000 1.306 136 G CA -0.780 44.370 45.100 0.082 0.000 0.836 136 G HN -0.176 nan 8.290 nan 0.000 0.517 137 P HA 0.079 nan 4.420 nan 0.000 0.260 137 P C 0.104 177.567 177.300 0.271 0.000 1.185 137 P CA 0.969 64.173 63.100 0.173 0.000 0.763 137 P CB -0.098 31.722 31.700 0.200 0.000 0.776 138 H N -0.620 118.560 119.070 0.184 0.000 3.395 138 H HA -0.153 4.404 4.556 0.001 0.000 0.222 138 H C -0.073 175.531 175.328 0.460 0.000 1.099 138 H CA 1.216 57.426 56.048 0.271 0.000 1.182 138 H CB -1.130 28.619 29.762 -0.022 0.000 1.188 138 H HN 0.559 nan 8.280 nan 0.000 0.317 139 K N 0.427 121.067 120.400 0.401 0.000 2.378 139 K HA 0.701 5.021 4.320 0.001 0.000 0.252 139 K C -0.397 176.375 176.600 0.288 0.000 0.931 139 K CA -0.545 55.965 56.287 0.372 0.000 0.794 139 K CB 2.898 35.554 32.500 0.259 0.000 1.181 139 K HN 0.045 nan 8.250 nan 0.000 0.425 140 I N 2.517 123.260 120.570 0.287 0.000 2.769 140 I HA 0.400 4.570 4.170 0.001 0.000 0.298 140 I C -1.384 174.816 176.117 0.139 0.000 1.128 140 I CA -1.073 60.296 61.300 0.116 0.000 1.031 140 I CB 2.134 40.161 38.000 0.045 0.000 1.235 140 I HN 0.654 nan 8.210 nan 0.000 0.423 141 M N 6.781 126.413 119.600 0.052 0.000 2.205 141 M HA 0.644 5.124 4.480 0.001 0.000 0.344 141 M C -1.165 175.169 176.300 0.058 0.000 1.085 141 M CA -0.481 54.855 55.300 0.061 0.000 1.001 141 M CB 1.443 34.063 32.600 0.033 0.000 1.626 141 M HN 0.675 nan 8.290 nan 0.000 0.442 142 A N 4.007 126.897 122.820 0.117 0.000 2.280 142 A HA 0.571 4.892 4.320 0.001 0.000 0.320 142 A C -0.496 177.115 177.584 0.046 0.000 1.366 142 A CA -0.479 51.617 52.037 0.099 0.000 0.938 142 A CB 0.153 19.289 19.000 0.226 0.000 1.157 142 A HN 0.787 nan 8.150 nan 0.000 0.536 143 T N 3.807 118.360 114.554 -0.003 0.000 2.744 143 T HA 0.331 4.681 4.350 0.001 0.000 0.291 143 T C 0.591 175.222 174.700 -0.114 0.000 0.957 143 T CA -0.621 61.444 62.100 -0.058 0.000 1.002 143 T CB 0.401 69.211 68.868 -0.097 0.000 0.919 143 T HN 0.873 nan 8.240 nan 0.000 0.468 144 N N 2.830 121.503 118.700 -0.045 0.000 2.418 144 N HA 0.102 4.842 4.740 0.001 0.000 0.283 144 N C 1.122 176.660 175.510 0.046 0.000 1.267 144 N CA -0.782 52.280 53.050 0.021 0.000 0.975 144 N CB 0.192 38.713 38.487 0.056 0.000 1.167 144 N HN 0.521 nan 8.380 nan 0.000 0.581 145 N N -0.159 118.679 118.700 0.231 0.000 2.094 145 N HA -0.177 4.563 4.740 0.001 0.000 0.191 145 N C 0.534 176.116 175.510 0.119 0.000 1.023 145 N CA 1.216 54.443 53.050 0.295 0.000 0.857 145 N CB -0.005 38.623 38.487 0.236 0.000 1.013 145 N HN 0.527 nan 8.380 nan 0.000 0.426 146 K N -0.622 119.819 120.400 0.068 0.000 2.458 146 K HA 0.106 4.427 4.320 0.001 0.000 0.194 146 K C 0.749 177.354 176.600 0.007 0.000 1.024 146 K CA 0.430 56.738 56.287 0.034 0.000 1.108 146 K CB 0.298 32.817 32.500 0.031 0.000 0.846 146 K HN 0.406 nan 8.250 nan 0.000 0.518 147 G N 1.339 110.132 108.800 -0.012 0.000 2.175 147 G HA2 -0.215 3.746 3.960 0.001 0.000 0.244 147 G HA3 -0.215 3.746 3.960 0.001 0.000 0.244 147 G C -0.341 174.542 174.900 -0.028 0.000 0.982 147 G CA -0.340 44.738 45.100 -0.037 0.000 0.641 147 G HN 0.089 nan 8.290 nan 0.000 0.527 148 K N 1.404 121.797 120.400 -0.012 0.000 2.276 148 K HA 0.437 4.757 4.320 0.001 0.000 0.283 148 K C 0.329 176.924 176.600 -0.009 0.000 1.044 148 K CA -0.033 56.249 56.287 -0.007 0.000 0.944 148 K CB 1.321 33.824 32.500 0.005 0.000 1.012 148 K HN 0.586 nan 8.250 nan 0.000 0.472 149 E N 1.794 121.986 120.200 -0.014 0.000 2.212 149 E HA 0.403 4.754 4.350 0.001 0.000 0.270 149 E C -0.665 175.916 176.600 -0.031 0.000 0.956 149 E CA -0.782 55.608 56.400 -0.016 0.000 0.825 149 E CB 2.051 31.739 29.700 -0.019 0.000 1.167 149 E HN 0.283 nan 8.360 nan 0.000 0.400 150 K N 0.969 121.341 120.400 -0.048 0.000 2.542 150 K HA 0.401 4.722 4.320 0.001 0.000 0.259 150 K C -1.808 174.652 176.600 -0.233 0.000 0.932 150 K CA -0.579 55.610 56.287 -0.164 0.000 0.820 150 K CB 1.957 34.344 32.500 -0.189 0.000 1.345 150 K HN 0.273 nan 8.250 nan 0.000 0.432 151 V N 3.987 123.716 119.914 -0.308 0.000 2.581 151 V HA 0.538 4.659 4.120 0.001 0.000 0.303 151 V C -1.189 174.739 176.094 -0.275 0.000 1.041 151 V CA -0.511 61.693 62.300 -0.161 0.000 0.907 151 V CB 1.195 32.996 31.823 -0.037 0.000 0.994 151 V HN 0.669 nan 8.190 nan 0.000 0.442 152 Y N 1.355 121.763 120.300 0.181 0.000 2.553 152 Y HA 0.637 5.188 4.550 0.001 0.000 0.347 152 Y C 0.303 176.399 175.900 0.326 0.000 1.019 152 Y CA -0.713 57.542 58.100 0.258 0.000 1.032 152 Y CB 2.497 41.122 38.460 0.274 0.000 1.284 152 Y HN 0.664 nan 8.280 nan 0.000 0.466 153 S N 1.126 117.143 115.700 0.528 0.000 2.566 153 S HA 0.993 5.463 4.470 0.001 0.000 0.298 153 S C -0.934 173.914 174.600 0.414 0.000 1.083 153 S CA -0.614 57.892 58.200 0.511 0.000 0.978 153 S CB 2.150 65.643 63.200 0.489 0.000 1.073 153 S HN 1.028 nan 8.310 nan 0.000 0.491 154 A N 0.561 123.504 122.820 0.205 0.000 2.572 154 A HA 0.671 4.991 4.320 0.001 0.000 0.295 154 A C 0.370 177.691 177.584 -0.438 0.000 1.072 154 A CA -0.580 51.375 52.037 -0.137 0.000 0.691 154 A CB 1.230 19.860 19.000 -0.617 0.000 1.291 154 A HN 0.954 nan 8.150 nan 0.000 0.404 155 E N 0.139 120.115 120.200 -0.373 0.000 2.072 155 E HA -0.017 4.333 4.350 0.001 0.000 0.190 155 E C 0.387 176.996 176.600 0.016 0.000 0.982 155 E CA 0.848 57.031 56.400 -0.363 0.000 0.803 155 E CB 0.144 29.854 29.700 0.017 0.000 0.755 155 E HN 0.565 nan 8.360 nan 0.000 0.453 156 R N -0.932 119.591 120.500 0.038 0.000 2.854 156 R HA 0.456 4.796 4.340 0.001 0.000 0.271 156 R C -1.352 174.945 176.300 -0.005 0.000 0.994 156 R CA -0.664 55.568 56.100 0.220 0.000 0.945 156 R CB 1.449 31.909 30.300 0.266 0.000 1.194 156 R HN -0.092 nan 8.270 nan 0.000 0.476 157 F N 1.044 121.172 119.950 0.296 0.000 2.565 157 F HA 0.423 4.950 4.527 0.001 0.000 0.313 157 F C -0.773 175.165 175.800 0.230 0.000 1.091 157 F CA -0.961 57.188 58.000 0.248 0.000 0.915 157 F CB 1.885 41.100 39.000 0.358 0.000 1.208 157 F HN 0.160 nan 8.300 nan 0.000 0.453 158 L N 4.942 126.363 121.223 0.330 0.000 2.343 158 L HA 0.617 4.957 4.340 0.001 0.000 0.278 158 L C -1.014 175.972 176.870 0.194 0.000 0.996 158 L CA -0.408 54.579 54.840 0.246 0.000 0.831 158 L CB 0.865 43.013 42.059 0.149 0.000 1.232 158 L HN 0.460 nan 8.230 nan 0.000 0.413 159 I N 5.615 126.295 120.570 0.183 0.000 2.379 159 I HA 0.479 4.650 4.170 0.001 0.000 0.290 159 I C 0.550 176.716 176.117 0.082 0.000 1.063 159 I CA 0.066 61.438 61.300 0.120 0.000 1.351 159 I CB 1.194 39.267 38.000 0.120 0.000 1.410 159 I HN 0.834 nan 8.210 nan 0.000 0.505 160 A N 3.753 126.603 122.820 0.050 0.000 3.234 160 A HA 0.281 4.601 4.320 0.001 0.000 0.247 160 A C 0.766 178.367 177.584 0.028 0.000 0.938 160 A CA -0.371 51.692 52.037 0.042 0.000 1.039 160 A CB -0.287 18.734 19.000 0.035 0.000 1.197 160 A HN 0.738 nan 8.150 nan 0.000 0.498 161 T N -3.058 111.514 114.554 0.029 0.000 3.060 161 T HA 0.459 4.810 4.350 0.001 0.000 0.249 161 T C 1.302 176.037 174.700 0.058 0.000 1.079 161 T CA 0.911 63.025 62.100 0.024 0.000 1.013 161 T CB -0.109 68.759 68.868 -0.001 0.000 0.975 161 T HN 2.036 nan 8.240 nan 0.000 0.518 162 G N 1.298 110.137 108.800 0.065 0.000 2.641 162 G HA2 -0.156 3.805 3.960 0.001 0.000 0.254 162 G HA3 -0.156 3.805 3.960 0.001 0.000 0.254 162 G C -0.766 174.190 174.900 0.094 0.000 1.315 162 G CA -0.141 45.009 45.100 0.083 0.000 0.907 162 G HN 0.640 nan 8.290 nan 0.000 0.572 163 E N -0.472 119.794 120.200 0.109 0.000 2.410 163 E HA 0.753 5.103 4.350 0.001 0.000 0.269 163 E C -0.344 176.338 176.600 0.135 0.000 0.937 163 E CA -1.146 55.321 56.400 0.112 0.000 0.793 163 E CB 1.728 31.488 29.700 0.100 0.000 1.314 163 E HN 0.448 nan 8.360 nan 0.000 0.447 164 R N 0.487 121.067 120.500 0.133 0.000 2.771 164 R HA 0.460 4.801 4.340 0.001 0.000 0.274 164 R C -2.748 173.625 176.300 0.121 0.000 0.987 164 R CA -2.591 53.602 56.100 0.155 0.000 0.908 164 R CB 0.899 31.305 30.300 0.177 0.000 1.213 164 R HN 0.310 nan 8.270 nan 0.000 0.468 165 P HA 0.077 nan 4.420 nan 0.000 0.265 165 P C -0.305 177.007 177.300 0.021 0.000 1.193 165 P CA 0.043 63.153 63.100 0.018 0.000 0.765 165 P CB 0.577 32.252 31.700 -0.042 0.000 0.823 166 R N 3.055 123.542 120.500 -0.023 0.000 2.459 166 R HA 0.334 4.675 4.340 0.001 0.000 0.281 166 R C -0.645 175.610 176.300 -0.075 0.000 1.050 166 R CA -0.325 55.795 56.100 0.033 0.000 1.055 166 R CB 0.307 30.625 30.300 0.030 0.000 1.045 166 R HN 0.372 nan 8.270 nan 0.000 0.495 167 Y N 2.003 122.319 120.300 0.026 0.000 2.519 167 Y HA 0.320 4.871 4.550 0.001 0.000 0.324 167 Y C 0.361 176.272 175.900 0.019 0.000 1.214 167 Y CA -0.598 57.514 58.100 0.020 0.000 1.260 167 Y CB 1.120 39.590 38.460 0.018 0.000 1.311 167 Y HN 0.382 nan 8.280 nan 0.000 0.505 168 L N 0.141 121.471 121.223 0.178 0.000 2.468 168 L HA 0.407 4.747 4.340 0.001 0.000 0.254 168 L C 1.241 178.178 176.870 0.111 0.000 1.171 168 L CA -0.361 54.544 54.840 0.108 0.000 0.809 168 L CB 0.379 42.486 42.059 0.079 0.000 1.155 168 L HN 0.879 nan 8.230 nan 0.000 0.473 169 G N 1.373 110.218 108.800 0.075 0.000 3.474 169 G HA2 0.345 4.306 3.960 0.001 0.000 0.269 169 G HA3 0.345 4.306 3.960 0.001 0.000 0.269 169 G C 0.006 174.938 174.900 0.052 0.000 1.339 169 G CA -0.049 45.086 45.100 0.059 0.000 1.258 169 G HN 0.485 nan 8.290 nan 0.000 0.560 170 I N -3.607 117.002 120.570 0.065 0.000 2.646 170 I HA 0.608 4.779 4.170 0.001 0.000 0.299 170 I C -2.801 173.352 176.117 0.061 0.000 1.036 170 I CA -3.418 57.919 61.300 0.061 0.000 1.074 170 I CB 2.473 40.513 38.000 0.067 0.000 1.258 170 I HN -0.263 nan 8.210 nan 0.000 0.430 171 P HA 0.142 nan 4.420 nan 0.000 0.260 171 P C 0.783 178.139 177.300 0.094 0.000 1.185 171 P CA 1.182 64.317 63.100 0.058 0.000 0.763 171 P CB 0.529 32.265 31.700 0.061 0.000 0.776 172 G N 3.655 112.499 108.800 0.073 0.000 2.213 172 G HA2 -0.262 3.699 3.960 0.001 0.000 0.236 172 G HA3 -0.262 3.699 3.960 0.001 0.000 0.236 172 G C 0.931 175.894 174.900 0.106 0.000 0.991 172 G CA 0.444 45.626 45.100 0.137 0.000 0.629 172 G HN 0.560 nan 8.290 nan 0.000 0.517 173 D N 1.018 121.479 120.400 0.102 0.000 2.117 173 D HA -0.041 4.599 4.640 0.001 0.000 0.198 173 D C 1.960 178.361 176.300 0.168 0.000 0.982 173 D CA 1.574 55.678 54.000 0.174 0.000 0.828 173 D CB -0.449 40.487 40.800 0.227 0.000 0.967 173 D HN 0.465 nan 8.370 nan 0.000 0.464 174 K N 0.122 120.483 120.400 -0.066 0.000 2.155 174 K HA -0.060 4.260 4.320 0.001 0.000 0.203 174 K C 2.028 178.514 176.600 -0.191 0.000 1.052 174 K CA 1.201 57.310 56.287 -0.296 0.000 0.948 174 K CB 0.091 32.319 32.500 -0.453 0.000 0.728 174 K HN 0.378 nan 8.250 nan 0.000 0.448 175 E N -0.369 119.658 120.200 -0.288 0.000 2.250 175 E HA -0.116 4.234 4.350 0.001 0.000 0.192 175 E C 1.090 177.422 176.600 -0.447 0.000 0.986 175 E CA 1.097 57.209 56.400 -0.480 0.000 0.849 175 E CB -0.073 29.156 29.700 -0.784 0.000 0.797 175 E HN 0.376 nan 8.360 nan 0.000 0.482 176 Y N 0.557 120.893 120.300 0.061 0.000 2.589 176 Y HA 0.245 4.796 4.550 0.001 0.000 0.271 176 Y C 1.397 177.345 175.900 0.080 0.000 1.107 176 Y CA -1.214 56.924 58.100 0.064 0.000 1.273 176 Y CB 0.030 38.519 38.460 0.048 0.000 1.266 176 Y HN -0.043 nan 8.280 nan 0.000 0.504 177 C N 2.185 121.626 119.300 0.235 0.000 2.422 177 C HA 0.633 5.093 4.460 0.001 0.000 0.364 177 C C 0.602 175.694 174.990 0.169 0.000 1.251 177 C CA -1.042 58.078 59.018 0.170 0.000 2.441 177 C CB -0.064 27.762 27.740 0.144 0.000 2.393 177 C HN 0.339 nan 8.230 nan 0.000 0.606 178 I N 0.152 120.775 120.570 0.089 0.000 2.957 178 I HA 0.861 5.031 4.170 0.001 0.000 0.310 178 I C -0.013 176.090 176.117 -0.024 0.000 1.063 178 I CA -0.188 61.154 61.300 0.069 0.000 1.033 178 I CB 1.960 39.984 38.000 0.039 0.000 1.230 178 I HN 0.691 nan 8.210 nan 0.000 0.447 179 S N 0.738 116.418 115.700 -0.033 0.000 2.745 179 S HA 0.399 4.869 4.470 0.001 0.000 0.306 179 S C 0.918 175.468 174.600 -0.082 0.000 1.137 179 S CA 0.009 58.147 58.200 -0.104 0.000 0.900 179 S CB 1.110 64.225 63.200 -0.142 0.000 1.176 179 S HN 0.976 nan 8.310 nan 0.000 0.520 180 S N 0.440 116.089 115.700 -0.086 0.000 2.387 180 S HA -0.221 4.249 4.470 0.001 0.000 0.230 180 S C 1.090 175.681 174.600 -0.014 0.000 1.035 180 S CA 1.883 60.028 58.200 -0.091 0.000 1.014 180 S CB -1.194 62.045 63.200 0.065 0.000 0.836 180 S HN 0.723 nan 8.310 nan 0.000 0.466 181 D N 1.989 122.423 120.400 0.058 0.000 2.158 181 D HA -0.082 4.558 4.640 0.001 0.000 0.197 181 D C 1.588 177.958 176.300 0.116 0.000 0.995 181 D CA 1.484 55.542 54.000 0.096 0.000 0.846 181 D CB -0.364 40.621 40.800 0.308 0.000 0.941 181 D HN 0.602 nan 8.370 nan 0.000 0.456 182 D N -0.557 119.897 120.400 0.089 0.000 2.301 182 D HA -0.037 4.604 4.640 0.001 0.000 0.206 182 D C 2.160 178.463 176.300 0.005 0.000 0.979 182 D CA -0.079 53.974 54.000 0.088 0.000 0.874 182 D CB 0.123 40.976 40.800 0.089 0.000 0.968 182 D HN 0.116 nan 8.370 nan 0.000 0.510 183 L N 0.651 121.796 121.223 -0.130 0.000 2.042 183 L HA -0.148 4.192 4.340 0.001 0.000 0.210 183 L C 1.603 178.392 176.870 -0.135 0.000 1.076 183 L CA 1.651 56.359 54.840 -0.221 0.000 0.749 183 L CB -0.677 41.089 42.059 -0.487 0.000 0.893 183 L HN -0.146 nan 8.230 nan 0.000 0.432 184 F N -0.845 119.170 119.950 0.109 0.000 2.802 184 F HA 0.082 4.609 4.527 0.001 0.000 0.300 184 F C 1.947 177.756 175.800 0.015 0.000 1.168 184 F CA 0.634 58.657 58.000 0.038 0.000 1.433 184 F CB -0.696 38.272 39.000 -0.054 0.000 1.115 184 F HN 0.332 nan 8.300 nan 0.000 0.582 185 S N -1.067 114.740 115.700 0.178 0.000 2.937 185 S HA 0.249 4.719 4.470 0.001 0.000 0.252 185 S C -0.009 174.671 174.600 0.134 0.000 1.022 185 S CA -0.490 57.793 58.200 0.140 0.000 1.079 185 S CB -0.591 62.692 63.200 0.137 0.000 1.035 185 S HN 0.065 nan 8.310 nan 0.000 0.594 186 L N 3.444 124.768 121.223 0.169 0.000 2.584 186 L HA 0.299 4.640 4.340 0.001 0.000 0.272 186 L C -1.896 175.010 176.870 0.059 0.000 1.195 186 L CA -1.076 53.770 54.840 0.009 0.000 0.920 186 L CB 0.459 42.469 42.059 -0.083 0.000 1.173 186 L HN -0.004 nan 8.230 nan 0.000 0.489 187 P HA -0.026 nan 4.420 nan 0.000 0.234 187 P C -1.504 175.874 177.300 0.130 0.000 1.167 187 P CA 0.951 64.085 63.100 0.056 0.000 0.763 187 P CB -0.112 31.658 31.700 0.117 0.000 0.835 188 Y N -4.273 116.114 120.300 0.144 0.000 2.625 188 Y HA 0.540 5.090 4.550 0.001 0.000 0.338 188 Y C -0.539 175.150 175.900 -0.351 0.000 1.123 188 Y CA -2.484 55.622 58.100 0.010 0.000 1.046 188 Y CB -0.018 38.428 38.460 -0.022 0.000 1.299 188 Y HN -0.331 nan 8.280 nan 0.000 0.464 189 C N 3.474 122.681 119.300 -0.154 0.000 2.637 189 C HA 0.329 4.790 4.460 0.001 0.000 0.418 189 C C -1.162 173.598 174.990 -0.383 0.000 1.319 189 C CA -1.349 57.299 59.018 -0.618 0.000 1.949 189 C CB 0.203 27.858 27.740 -0.140 0.000 2.639 189 C HN 0.793 nan 8.230 nan 0.000 0.594 190 P HA 0.133 nan 4.420 nan 0.000 0.222 190 P C 1.003 178.232 177.300 -0.117 0.000 1.147 190 P CA 2.049 64.973 63.100 -0.292 0.000 0.790 190 P CB -0.154 31.307 31.700 -0.399 0.000 0.780 191 G N -0.261 108.468 108.800 -0.119 0.000 2.569 191 G HA2 -0.317 3.644 3.960 0.001 0.000 0.259 191 G HA3 -0.317 3.644 3.960 0.001 0.000 0.259 191 G C -0.344 174.543 174.900 -0.022 0.000 1.263 191 G CA -0.293 44.779 45.100 -0.047 0.000 0.928 191 G HN 0.451 nan 8.290 nan 0.000 0.572 192 K N 0.854 121.260 120.400 0.009 0.000 2.436 192 K HA 0.411 4.731 4.320 0.001 0.000 0.282 192 K C -0.387 176.293 176.600 0.133 0.000 1.044 192 K CA 0.890 57.212 56.287 0.058 0.000 1.028 192 K CB -0.210 32.314 32.500 0.040 0.000 0.919 192 K HN 0.533 nan 8.250 nan 0.000 0.474 193 T N 4.811 119.425 114.554 0.100 0.000 2.841 193 T HA 0.311 4.661 4.350 0.001 0.000 0.283 193 T C -1.212 173.394 174.700 -0.157 0.000 1.000 193 T CA -0.744 61.347 62.100 -0.015 0.000 0.977 193 T CB 1.185 69.995 68.868 -0.097 0.000 0.979 193 T HN 0.469 nan 8.240 nan 0.000 0.446 194 L N 4.282 125.207 121.223 -0.496 0.000 2.287 194 L HA 0.695 5.036 4.340 0.001 0.000 0.287 194 L C -0.984 175.636 176.870 -0.418 0.000 1.022 194 L CA -0.465 53.935 54.840 -0.734 0.000 0.814 194 L CB 1.062 42.245 42.059 -1.460 0.000 1.217 194 L HN 0.438 nan 8.230 nan 0.000 0.420 195 V N 6.109 125.830 119.914 -0.322 0.000 2.394 195 V HA 0.445 4.565 4.120 0.001 0.000 0.282 195 V C -0.245 175.725 176.094 -0.207 0.000 1.031 195 V CA -0.645 61.509 62.300 -0.243 0.000 0.881 195 V CB 1.672 33.360 31.823 -0.226 0.000 0.982 195 V HN 0.530 nan 8.190 nan 0.000 0.451 196 V N 4.641 124.456 119.914 -0.165 0.000 2.370 196 V HA 0.946 5.066 4.120 0.001 0.000 0.283 196 V C 0.552 176.598 176.094 -0.080 0.000 1.023 196 V CA 0.494 62.726 62.300 -0.113 0.000 0.857 196 V CB 0.760 32.525 31.823 -0.097 0.000 0.985 196 V HN 1.273 nan 8.190 nan 0.000 0.443 197 G N 3.948 112.722 108.800 -0.042 0.000 2.406 197 G HA2 0.466 4.427 3.960 0.001 0.000 0.680 197 G HA3 0.466 4.427 3.960 0.001 0.000 0.680 197 G C -0.359 174.545 174.900 0.008 0.000 1.338 197 G CA -0.037 45.053 45.100 -0.017 0.000 0.941 197 G HN 1.469 nan 8.290 nan 0.000 0.633 198 A N -0.044 122.801 122.820 0.041 0.000 2.568 198 A HA 0.822 5.142 4.320 0.001 0.000 0.287 198 A C 0.669 178.307 177.584 0.092 0.000 0.967 198 A CA 1.354 53.441 52.037 0.083 0.000 1.004 198 A CB 0.300 19.369 19.000 0.115 0.000 1.233 198 A HN 1.689 nan 8.150 nan 0.000 0.513 199 S N -1.599 114.142 115.700 0.069 0.000 2.713 199 S HA 0.474 4.944 4.470 0.001 0.000 0.296 199 S C 1.352 176.009 174.600 0.096 0.000 1.114 199 S CA 0.105 58.374 58.200 0.115 0.000 0.997 199 S CB 0.258 63.541 63.200 0.139 0.000 1.249 199 S HN 0.770 nan 8.310 nan 0.000 0.534 200 Y N 0.187 120.537 120.300 0.082 0.000 2.256 200 Y HA -0.047 4.503 4.550 0.001 0.000 0.288 200 Y C 1.657 177.615 175.900 0.097 0.000 1.155 200 Y CA 1.632 59.767 58.100 0.060 0.000 1.203 200 Y CB -1.206 37.305 38.460 0.085 0.000 0.980 200 Y HN 0.188 nan 8.280 nan 0.000 0.530 201 V N 1.278 121.009 119.914 -0.305 0.000 2.307 201 V HA -0.241 3.879 4.120 0.001 0.000 0.245 201 V C 2.909 178.977 176.094 -0.043 0.000 1.045 201 V CA 1.752 63.961 62.300 -0.152 0.000 1.024 201 V CB -1.440 30.242 31.823 -0.235 0.000 0.651 201 V HN 0.633 nan 8.190 nan 0.000 0.449 202 A N -0.117 122.665 122.820 -0.063 0.000 1.883 202 A HA -0.164 4.156 4.320 0.001 0.000 0.217 202 A C 2.221 179.780 177.584 -0.041 0.000 1.186 202 A CA 1.904 53.903 52.037 -0.063 0.000 0.624 202 A CB -0.551 18.419 19.000 -0.050 0.000 0.822 202 A HN 0.489 nan 8.150 nan 0.000 0.444 203 L N -1.042 120.196 121.223 0.025 0.000 2.072 203 L HA -0.151 4.189 4.340 0.001 0.000 0.205 203 L C 2.615 179.528 176.870 0.071 0.000 1.079 203 L CA 1.369 56.246 54.840 0.062 0.000 0.752 203 L CB -0.744 41.380 42.059 0.109 0.000 0.906 203 L HN 0.488 nan 8.230 nan 0.000 0.436 204 E N -0.244 120.026 120.200 0.117 0.000 2.049 204 E HA -0.259 4.091 4.350 0.001 0.000 0.198 204 E C 2.325 178.980 176.600 0.092 0.000 1.007 204 E CA 1.884 58.401 56.400 0.196 0.000 0.809 204 E CB -0.213 29.670 29.700 0.306 0.000 0.749 204 E HN 0.536 nan 8.360 nan 0.000 0.450 205 C N 0.633 119.880 119.300 -0.089 0.000 2.453 205 C HA -0.087 4.373 4.460 0.001 0.000 0.277 205 C C 2.948 177.547 174.990 -0.653 0.000 1.262 205 C CA 0.728 59.384 59.018 -0.604 0.000 1.718 205 C CB -1.063 26.469 27.740 -0.346 0.000 2.031 205 C HN 0.538 nan 8.230 nan 0.000 0.480 206 A N 1.032 123.663 122.820 -0.314 0.000 1.917 206 A HA -0.031 4.289 4.320 0.001 0.000 0.219 206 A C 2.366 179.840 177.584 -0.182 0.000 1.182 206 A CA 2.358 54.246 52.037 -0.248 0.000 0.633 206 A CB -1.404 17.475 19.000 -0.202 0.000 0.819 206 A HN 0.575 nan 8.150 nan 0.000 0.448 207 G N 0.073 108.824 108.800 -0.082 0.000 2.545 207 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 207 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 207 G C 1.388 176.358 174.900 0.117 0.000 1.218 207 G CA 1.547 46.692 45.100 0.076 0.000 0.787 207 G HN 0.895 nan 8.290 nan 0.000 0.571 208 F N 0.574 120.624 119.950 0.167 0.000 2.367 208 F HA 0.314 4.842 4.527 0.001 0.000 0.298 208 F C 2.196 178.061 175.800 0.109 0.000 1.094 208 F CA 0.242 58.334 58.000 0.154 0.000 1.409 208 F CB -0.562 38.552 39.000 0.191 0.000 1.064 208 F HN 0.064 nan 8.300 nan 0.000 0.528 209 L N 0.951 122.071 121.223 -0.172 0.000 2.046 209 L HA -0.134 4.206 4.340 0.001 0.000 0.208 209 L C 2.963 179.854 176.870 0.035 0.000 1.077 209 L CA 1.256 56.092 54.840 -0.006 0.000 0.747 209 L CB -1.192 40.770 42.059 -0.163 0.000 0.896 209 L HN 0.353 nan 8.230 nan 0.000 0.432 210 A N 0.429 123.251 122.820 0.003 0.000 1.873 210 A HA -0.102 4.218 4.320 0.001 0.000 0.215 210 A C 2.424 180.042 177.584 0.058 0.000 1.186 210 A CA 1.610 53.663 52.037 0.027 0.000 0.616 210 A CB -1.294 17.722 19.000 0.026 0.000 0.823 210 A HN 0.428 nan 8.150 nan 0.000 0.442 211 G N 0.728 109.582 108.800 0.090 0.000 2.450 211 G HA2 -0.178 3.782 3.960 0.001 0.000 0.220 211 G HA3 -0.178 3.782 3.960 0.001 0.000 0.220 211 G C 1.355 176.272 174.900 0.029 0.000 1.130 211 G CA 1.211 46.358 45.100 0.078 0.000 0.760 211 G HN 0.900 nan 8.290 nan 0.000 0.557 212 I N -3.176 117.406 120.570 0.021 0.000 3.793 212 I HA 0.507 4.678 4.170 0.001 0.000 0.315 212 I C 1.384 177.500 176.117 -0.001 0.000 1.275 212 I CA 0.476 61.709 61.300 -0.111 0.000 1.214 212 I CB 0.196 37.997 38.000 -0.332 0.000 1.018 212 I HN 0.173 nan 8.210 nan 0.000 0.439 213 G N 1.500 110.325 108.800 0.042 0.000 2.154 213 G HA2 -0.138 3.823 3.960 0.001 0.000 0.186 213 G HA3 -0.138 3.823 3.960 0.001 0.000 0.186 213 G C -0.096 174.837 174.900 0.055 0.000 1.000 213 G CA -0.309 44.824 45.100 0.055 0.000 0.664 213 G HN 0.308 nan 8.290 nan 0.000 0.513 214 L N 0.883 122.137 121.223 0.051 0.000 2.399 214 L HA 0.501 4.841 4.340 0.001 0.000 0.266 214 L C 0.320 177.198 176.870 0.013 0.000 1.114 214 L CA -0.910 53.949 54.840 0.032 0.000 0.804 214 L CB 0.841 42.913 42.059 0.023 0.000 1.146 214 L HN 0.104 nan 8.230 nan 0.000 0.451 215 D N 1.909 122.314 120.400 0.009 0.000 2.336 215 D HA 0.258 4.898 4.640 0.001 0.000 0.249 215 D C -0.997 175.307 176.300 0.006 0.000 1.213 215 D CA -0.028 53.975 54.000 0.007 0.000 0.870 215 D CB 0.937 41.741 40.800 0.007 0.000 1.076 215 D HN 0.065 nan 8.370 nan 0.000 0.483 216 V N 3.661 123.563 119.914 -0.020 0.000 2.604 216 V HA 0.472 4.592 4.120 0.001 0.000 0.305 216 V C 0.306 176.343 176.094 -0.094 0.000 1.043 216 V CA -0.687 61.575 62.300 -0.064 0.000 0.888 216 V CB 2.173 33.932 31.823 -0.107 0.000 0.995 216 V HN 0.540 nan 8.190 nan 0.000 0.429 217 T N 3.522 118.007 114.554 -0.115 0.000 2.861 217 T HA 0.609 4.959 4.350 0.001 0.000 0.287 217 T C -0.648 173.878 174.700 -0.291 0.000 1.003 217 T CA -0.437 61.566 62.100 -0.163 0.000 0.977 217 T CB 1.886 70.760 68.868 0.010 0.000 0.996 217 T HN 0.343 nan 8.240 nan 0.000 0.448 218 V N 4.047 123.705 119.914 -0.425 0.000 2.417 218 V HA 0.513 4.634 4.120 0.001 0.000 0.291 218 V C -0.155 175.811 176.094 -0.213 0.000 1.024 218 V CA -0.813 61.244 62.300 -0.404 0.000 0.861 218 V CB 1.594 32.998 31.823 -0.699 0.000 0.985 218 V HN 0.893 nan 8.190 nan 0.000 0.436 219 M N 6.313 125.841 119.600 -0.119 0.000 2.149 219 M HA 0.609 5.089 4.480 0.001 0.000 0.342 219 M C -1.461 174.870 176.300 0.051 0.000 1.068 219 M CA -0.327 54.966 55.300 -0.012 0.000 0.991 219 M CB 1.261 33.842 32.600 -0.032 0.000 1.596 219 M HN 0.442 nan 8.290 nan 0.000 0.439 220 V N 6.121 126.111 119.914 0.127 0.000 2.398 220 V HA 0.379 4.499 4.120 0.001 0.000 0.286 220 V C 0.821 176.987 176.094 0.120 0.000 1.026 220 V CA -0.606 61.774 62.300 0.134 0.000 0.868 220 V CB 1.367 33.301 31.823 0.183 0.000 0.982 220 V HN 1.007 nan 8.190 nan 0.000 0.443 221 R N 2.784 123.336 120.500 0.086 0.000 2.062 221 R HA -0.064 4.276 4.340 0.001 0.000 0.229 221 R C 1.659 177.991 176.300 0.053 0.000 1.128 221 R CA 1.922 58.061 56.100 0.066 0.000 0.960 221 R CB 0.227 30.556 30.300 0.049 0.000 0.855 221 R HN 0.902 nan 8.270 nan 0.000 0.432 222 S N -0.475 115.259 115.700 0.057 0.000 3.669 222 S HA 0.242 4.712 4.470 0.001 0.000 0.171 222 S C 0.707 175.339 174.600 0.053 0.000 0.855 222 S CA -0.336 57.892 58.200 0.046 0.000 1.037 222 S CB -0.341 62.881 63.200 0.037 0.000 1.477 222 S HN 0.295 nan 8.310 nan 0.000 0.854 223 I N 0.477 121.080 120.570 0.055 0.000 2.822 223 I HA 0.633 4.804 4.170 0.001 0.000 0.312 223 I C -0.978 175.181 176.117 0.070 0.000 1.011 223 I CA -1.456 59.875 61.300 0.052 0.000 1.105 223 I CB 1.155 39.184 38.000 0.049 0.000 1.291 223 I HN 0.351 nan 8.210 nan 0.000 0.474 224 L N 3.843 125.101 121.223 0.058 0.000 2.326 224 L HA 0.359 4.700 4.340 0.001 0.000 0.278 224 L C 0.079 177.006 176.870 0.096 0.000 1.092 224 L CA -0.872 54.012 54.840 0.074 0.000 0.810 224 L CB 0.952 43.031 42.059 0.035 0.000 1.153 224 L HN 0.661 nan 8.230 nan 0.000 0.439 225 L N 2.094 123.393 121.223 0.127 0.000 3.677 225 L HA -0.223 4.118 4.340 0.001 0.000 0.464 225 L C 0.821 177.899 176.870 0.346 0.000 1.278 225 L CA 0.209 55.176 54.840 0.211 0.000 0.806 225 L CB -1.220 40.862 42.059 0.038 0.000 1.610 225 L HN 0.717 nan 8.230 nan 0.000 0.867 226 R N 0.816 121.466 120.500 0.250 0.000 2.537 226 R HA 0.220 4.560 4.340 0.001 0.000 0.281 226 R C 1.452 177.897 176.300 0.242 0.000 0.988 226 R CA 1.457 57.678 56.100 0.203 0.000 1.077 226 R CB 0.247 30.631 30.300 0.139 0.000 0.932 226 R HN 0.540 nan 8.270 nan 0.000 0.409 227 G N 3.412 112.312 108.800 0.166 0.000 2.349 227 G HA2 -0.269 3.691 3.960 0.001 0.000 0.213 227 G HA3 -0.269 3.691 3.960 0.001 0.000 0.213 227 G C -0.143 174.760 174.900 0.005 0.000 1.044 227 G CA -0.141 44.990 45.100 0.052 0.000 0.633 227 G HN 0.506 nan 8.290 nan 0.000 0.506 228 F N 2.323 122.357 119.950 0.139 0.000 2.370 228 F HA 0.484 5.012 4.527 0.001 0.000 0.319 228 F C 0.932 176.814 175.800 0.138 0.000 1.129 228 F CA -0.448 57.666 58.000 0.190 0.000 1.109 228 F CB 0.516 39.674 39.000 0.263 0.000 1.262 228 F HN 0.033 nan 8.300 nan 0.000 0.534 229 D N 1.994 122.606 120.400 0.353 0.000 2.662 229 D HA -0.119 4.521 4.640 0.001 0.000 0.237 229 D C 0.812 177.154 176.300 0.069 0.000 1.154 229 D CA 0.212 54.293 54.000 0.133 0.000 0.861 229 D CB 0.846 41.624 40.800 -0.036 0.000 1.146 229 D HN 0.473 nan 8.370 nan 0.000 0.518 230 Q N 3.032 122.855 119.800 0.040 0.000 2.224 230 Q HA -0.145 4.195 4.340 0.001 0.000 0.203 230 Q C 1.287 177.262 176.000 -0.042 0.000 0.970 230 Q CA 0.992 56.804 55.803 0.014 0.000 0.865 230 Q CB -0.061 28.688 28.738 0.020 0.000 0.922 230 Q HN 0.636 nan 8.270 nan 0.000 0.445 231 D N -0.329 120.033 120.400 -0.064 0.000 2.117 231 D HA -0.110 4.530 4.640 0.001 0.000 0.198 231 D C 1.708 177.917 176.300 -0.151 0.000 0.982 231 D CA 0.831 54.771 54.000 -0.100 0.000 0.828 231 D CB 0.213 40.958 40.800 -0.092 0.000 0.967 231 D HN 0.002 nan 8.370 nan 0.000 0.464 232 M N 0.634 120.127 119.600 -0.178 0.000 2.080 232 M HA -0.049 4.432 4.480 0.001 0.000 0.260 232 M C 2.418 178.522 176.300 -0.326 0.000 1.068 232 M CA 1.354 56.464 55.300 -0.317 0.000 1.109 232 M CB -1.562 30.695 32.600 -0.571 0.000 1.342 232 M HN 0.120 nan 8.290 nan 0.000 0.405 233 A N 0.910 123.596 122.820 -0.222 0.000 1.917 233 A HA -0.211 4.109 4.320 0.001 0.000 0.219 233 A C 2.057 179.567 177.584 -0.123 0.000 1.182 233 A CA 2.056 54.004 52.037 -0.148 0.000 0.633 233 A CB -0.846 18.131 19.000 -0.038 0.000 0.819 233 A HN 0.518 nan 8.150 nan 0.000 0.448 234 N N -0.172 118.460 118.700 -0.114 0.000 2.188 234 N HA -0.097 4.643 4.740 0.001 0.000 0.184 234 N C 1.614 177.056 175.510 -0.114 0.000 1.018 234 N CA 1.394 54.377 53.050 -0.113 0.000 0.858 234 N CB -0.322 38.107 38.487 -0.098 0.000 0.989 234 N HN 0.574 nan 8.380 nan 0.000 0.426 235 K N 0.646 120.975 120.400 -0.119 0.000 2.057 235 K HA 0.008 4.329 4.320 0.001 0.000 0.207 235 K C 2.064 178.650 176.600 -0.023 0.000 1.049 235 K CA 0.758 56.998 56.287 -0.080 0.000 0.931 235 K CB -0.148 32.285 32.500 -0.112 0.000 0.714 235 K HN 0.131 nan 8.250 nan 0.000 0.440 236 I N 0.647 121.183 120.570 -0.057 0.000 2.163 236 I HA -0.255 3.915 4.170 0.001 0.000 0.243 236 I C 2.503 178.653 176.117 0.055 0.000 1.085 236 I CA 1.547 62.853 61.300 0.009 0.000 1.347 236 I CB -0.713 37.264 38.000 -0.038 0.000 1.044 236 I HN 0.309 nan 8.210 nan 0.000 0.408 237 G N 0.072 108.839 108.800 -0.055 0.000 2.446 237 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 237 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 237 G C 1.544 176.325 174.900 -0.199 0.000 1.168 237 G CA 0.797 45.769 45.100 -0.213 0.000 0.771 237 G HN 0.401 nan 8.290 nan 0.000 0.551 238 E N -0.778 119.352 120.200 -0.116 0.000 2.118 238 E HA -0.167 4.183 4.350 0.001 0.000 0.195 238 E C 2.188 178.804 176.600 0.027 0.000 0.992 238 E CA 0.737 57.093 56.400 -0.074 0.000 0.804 238 E CB -0.207 29.462 29.700 -0.052 0.000 0.741 238 E HN 0.583 nan 8.360 nan 0.000 0.458 239 H N 0.160 119.251 119.070 0.035 0.000 2.395 239 H HA -0.038 4.519 4.556 0.001 0.000 0.299 239 H C 2.030 177.500 175.328 0.237 0.000 1.070 239 H CA 1.216 57.357 56.048 0.155 0.000 1.356 239 H CB 0.093 29.949 29.762 0.157 0.000 1.401 239 H HN 0.173 nan 8.280 nan 0.000 0.524 240 M N 0.378 120.135 119.600 0.262 0.000 2.117 240 M HA -0.158 4.322 4.480 0.001 0.000 0.262 240 M C 2.421 178.868 176.300 0.245 0.000 1.065 240 M CA 1.817 57.291 55.300 0.291 0.000 1.114 240 M CB -0.137 32.732 32.600 0.448 0.000 1.361 240 M HN 0.280 nan 8.290 nan 0.000 0.408 241 E N 0.666 120.983 120.200 0.195 0.000 2.051 241 E HA -0.228 4.123 4.350 0.001 0.000 0.192 241 E C 1.642 178.240 176.600 -0.004 0.000 0.991 241 E CA 1.526 58.012 56.400 0.143 0.000 0.799 241 E CB 0.079 29.788 29.700 0.016 0.000 0.748 241 E HN 0.482 nan 8.360 nan 0.000 0.449 242 E N -1.042 119.086 120.200 -0.120 0.000 2.268 242 E HA -0.133 4.218 4.350 0.001 0.000 0.195 242 E C 0.267 176.560 176.600 -0.511 0.000 0.995 242 E CA 0.762 56.972 56.400 -0.317 0.000 0.836 242 E CB 0.057 29.513 29.700 -0.407 0.000 0.763 242 E HN 0.417 nan 8.360 nan 0.000 0.491 243 H N -1.344 117.628 119.070 -0.163 0.000 2.476 243 H HA 0.321 4.878 4.556 0.001 0.000 0.256 243 H C 0.665 175.962 175.328 -0.051 0.000 1.321 243 H CA 0.110 56.073 56.048 -0.141 0.000 1.056 243 H CB 0.757 30.374 29.762 -0.242 0.000 1.643 243 H HN 0.259 nan 8.280 nan 0.000 0.541 244 G N 0.525 109.338 108.800 0.022 0.000 3.922 244 G HA2 -0.294 3.666 3.960 0.001 0.000 0.208 244 G HA3 -0.294 3.666 3.960 0.001 0.000 0.208 244 G C 0.277 175.196 174.900 0.031 0.000 1.491 244 G CA -0.291 44.825 45.100 0.028 0.000 1.017 244 G HN 0.303 nan 8.290 nan 0.000 0.603 245 I N 3.405 124.003 120.570 0.047 0.000 2.919 245 I HA 0.113 4.283 4.170 0.001 0.000 0.299 245 I C 0.895 177.020 176.117 0.013 0.000 1.221 245 I CA 0.887 62.178 61.300 -0.014 0.000 1.424 245 I CB 0.324 38.305 38.000 -0.033 0.000 1.358 245 I HN 0.225 nan 8.210 nan 0.000 0.551 246 K N 6.568 126.923 120.400 -0.075 0.000 2.118 246 K HA 0.578 4.898 4.320 0.001 0.000 0.267 246 K C -0.984 175.533 176.600 -0.139 0.000 0.991 246 K CA -0.508 55.779 56.287 0.000 0.000 0.916 246 K CB 1.142 33.641 32.500 -0.002 0.000 1.041 246 K HN 0.216 nan 8.250 nan 0.000 0.455 247 F N 1.810 121.759 119.950 -0.001 0.000 2.507 247 F HA 0.427 4.954 4.527 0.001 0.000 0.325 247 F C 0.014 175.817 175.800 0.005 0.000 1.116 247 F CA -0.828 57.174 58.000 0.004 0.000 0.930 247 F CB 1.257 40.263 39.000 0.010 0.000 1.146 247 F HN 0.224 nan 8.300 nan 0.000 0.447 248 I N 5.084 125.743 120.570 0.149 0.000 2.354 248 I HA 0.392 4.562 4.170 0.001 0.000 0.286 248 I C -0.455 175.789 176.117 0.212 0.000 1.007 248 I CA -0.840 60.521 61.300 0.102 0.000 1.167 248 I CB 0.720 38.696 38.000 -0.041 0.000 1.320 248 I HN 0.372 nan 8.210 nan 0.000 0.458 249 R N 4.867 125.520 120.500 0.255 0.000 2.428 249 R HA 0.381 4.721 4.340 0.001 0.000 0.294 249 R C -0.252 176.233 176.300 0.308 0.000 1.000 249 R CA -0.808 55.438 56.100 0.243 0.000 0.960 249 R CB 0.895 31.290 30.300 0.158 0.000 1.076 249 R HN 0.542 nan 8.270 nan 0.000 0.475 250 Q N 0.580 120.491 119.800 0.184 0.000 2.453 250 Q HA -0.214 4.127 4.340 0.001 0.000 0.330 250 Q C -1.340 174.619 176.000 -0.070 0.000 1.417 250 Q CA 0.927 56.759 55.803 0.048 0.000 0.902 250 Q CB -1.369 27.345 28.738 -0.040 0.000 1.154 250 Q HN 0.438 nan 8.270 nan 0.000 0.395 251 F N -1.265 118.705 119.950 0.032 0.000 2.601 251 F HA 0.725 5.253 4.527 0.001 0.000 0.309 251 F C -0.228 175.585 175.800 0.022 0.000 1.089 251 F CA -1.005 57.011 58.000 0.028 0.000 0.940 251 F CB 1.921 40.940 39.000 0.032 0.000 1.273 251 F HN -0.143 nan 8.300 nan 0.000 0.450 252 V N 3.783 123.815 119.914 0.197 0.000 2.638 252 V HA 0.458 4.578 4.120 0.001 0.000 0.306 252 V C -2.310 173.859 176.094 0.124 0.000 1.052 252 V CA -1.964 60.406 62.300 0.117 0.000 0.885 252 V CB 2.298 34.158 31.823 0.062 0.000 0.999 252 V HN 0.458 nan 8.190 nan 0.000 0.424 253 P HA 0.148 nan 4.420 nan 0.000 0.269 253 P C 0.390 177.736 177.300 0.076 0.000 1.209 253 P CA 0.193 63.342 63.100 0.081 0.000 0.776 253 P CB 0.963 32.691 31.700 0.048 0.000 0.876 254 T N -0.851 113.750 114.554 0.079 0.000 2.999 254 T HA 0.162 4.513 4.350 0.001 0.000 0.247 254 T C 0.497 175.237 174.700 0.067 0.000 1.012 254 T CA 0.114 62.255 62.100 0.068 0.000 1.048 254 T CB 0.116 69.024 68.868 0.067 0.000 1.020 254 T HN 0.571 nan 8.240 nan 0.000 0.478 255 K N 0.392 120.835 120.400 0.072 0.000 2.551 255 K HA 0.688 5.009 4.320 0.001 0.000 0.269 255 K C -2.213 174.439 176.600 0.086 0.000 0.949 255 K CA -1.091 55.242 56.287 0.078 0.000 0.849 255 K CB 1.649 34.191 32.500 0.069 0.000 1.411 255 K HN 0.010 nan 8.250 nan 0.000 0.432 256 I N 2.051 122.688 120.570 0.111 0.000 2.410 256 I HA 0.205 4.375 4.170 0.001 0.000 0.286 256 I C -0.886 175.308 176.117 0.129 0.000 1.009 256 I CA -0.230 61.141 61.300 0.119 0.000 1.111 256 I CB 1.915 40.010 38.000 0.159 0.000 1.262 256 I HN 0.660 nan 8.210 nan 0.000 0.443 257 E N 5.299 125.512 120.200 0.022 0.000 2.256 257 E HA 0.484 4.834 4.350 0.001 0.000 0.267 257 E C -1.043 175.389 176.600 -0.281 0.000 0.892 257 E CA -1.123 55.236 56.400 -0.068 0.000 0.775 257 E CB 1.877 31.570 29.700 -0.012 0.000 1.207 257 E HN 0.476 nan 8.360 nan 0.000 0.420 258 Q N 2.511 121.966 119.800 -0.576 0.000 2.288 258 Q HA 0.187 4.528 4.340 0.001 0.000 0.258 258 Q C -0.030 175.811 176.000 -0.266 0.000 0.957 258 Q CA -0.058 55.391 55.803 -0.591 0.000 0.919 258 Q CB 0.817 28.995 28.738 -0.934 0.000 1.185 258 Q HN 0.779 nan 8.270 nan 0.000 0.408 259 I N 2.521 122.978 120.570 -0.188 0.000 2.867 259 I HA 0.112 4.283 4.170 0.001 0.000 0.265 259 I C 0.408 176.463 176.117 -0.104 0.000 1.162 259 I CA 0.515 61.744 61.300 -0.118 0.000 1.471 259 I CB 0.428 38.372 38.000 -0.094 0.000 1.123 259 I HN 0.671 nan 8.210 nan 0.000 0.440 260 E N 0.427 120.557 120.200 -0.117 0.000 2.388 260 E HA 0.527 4.878 4.350 0.001 0.000 0.289 260 E C -1.309 175.235 176.600 -0.093 0.000 0.944 260 E CA -0.557 55.790 56.400 -0.089 0.000 0.792 260 E CB 1.654 31.308 29.700 -0.077 0.000 1.239 260 E HN 0.095 nan 8.360 nan 0.000 0.412 261 A N 2.220 125.000 122.820 -0.066 0.000 2.304 261 A HA 0.924 5.245 4.320 0.001 0.000 0.271 261 A C 0.424 177.963 177.584 -0.075 0.000 1.091 261 A CA 0.579 52.585 52.037 -0.052 0.000 0.812 261 A CB 0.960 19.955 19.000 -0.009 0.000 1.056 261 A HN 0.806 nan 8.150 nan 0.000 0.489 262 G N -1.270 107.468 108.800 -0.104 0.000 2.320 262 G HA2 0.530 4.490 3.960 0.001 0.000 0.297 262 G HA3 0.530 4.490 3.960 0.001 0.000 0.297 262 G C -0.691 174.029 174.900 -0.299 0.000 1.344 262 G CA 0.170 45.176 45.100 -0.157 0.000 0.851 262 G HN 1.668 nan 8.290 nan 0.000 0.567 263 T N -0.263 114.053 114.554 -0.397 0.000 3.305 263 T HA 0.659 5.010 4.350 0.001 0.000 0.348 263 T C -2.585 171.705 174.700 -0.683 0.000 1.394 263 T CA -1.084 60.514 62.100 -0.836 0.000 1.549 263 T CB 1.660 70.280 68.868 -0.413 0.000 0.962 263 T HN 0.563 nan 8.240 nan 0.000 0.609 264 P HA 0.513 nan 4.420 nan 0.000 0.279 264 P C 0.631 177.741 177.300 -0.317 0.000 1.252 264 P CA -0.110 62.625 63.100 -0.608 0.000 0.811 264 P CB 1.223 32.783 31.700 -0.234 0.000 1.035 265 G N 1.412 110.073 108.800 -0.231 0.000 2.531 265 G HA2 0.463 4.423 3.960 0.001 0.000 0.253 265 G HA3 0.463 4.423 3.960 0.001 0.000 0.253 265 G C -0.636 174.202 174.900 -0.103 0.000 1.439 265 G CA -0.753 44.262 45.100 -0.143 0.000 1.056 265 G HN 0.465 nan 8.290 nan 0.000 0.555 266 R N -1.072 119.371 120.500 -0.095 0.000 2.575 266 R HA 0.550 4.890 4.340 0.001 0.000 0.293 266 R C -1.199 175.047 176.300 -0.091 0.000 0.983 266 R CA -0.452 55.601 56.100 -0.078 0.000 0.887 266 R CB 2.022 32.273 30.300 -0.082 0.000 1.184 266 R HN 0.260 nan 8.270 nan 0.000 0.445 267 L N 2.051 123.247 121.223 -0.045 0.000 2.386 267 L HA 0.536 4.876 4.340 0.001 0.000 0.271 267 L C -0.470 176.409 176.870 0.015 0.000 0.993 267 L CA -0.865 53.947 54.840 -0.047 0.000 0.819 267 L CB 2.267 44.325 42.059 -0.002 0.000 1.294 267 L HN 0.385 nan 8.230 nan 0.000 0.414 268 K N 2.428 122.820 120.400 -0.013 0.000 2.240 268 K HA 0.594 4.915 4.320 0.001 0.000 0.271 268 K C -1.311 175.331 176.600 0.069 0.000 1.018 268 K CA -0.477 55.820 56.287 0.017 0.000 0.874 268 K CB 1.578 34.065 32.500 -0.021 0.000 1.098 268 K HN 0.374 nan 8.250 nan 0.000 0.458 269 V N 3.433 123.432 119.914 0.143 0.000 2.483 269 V HA 0.333 4.453 4.120 0.001 0.000 0.295 269 V C -0.291 175.868 176.094 0.108 0.000 1.035 269 V CA -0.624 61.760 62.300 0.139 0.000 0.896 269 V CB 1.915 33.849 31.823 0.185 0.000 0.986 269 V HN 0.820 nan 8.190 nan 0.000 0.447 270 T N 3.837 118.441 114.554 0.084 0.000 2.829 270 T HA 0.801 5.151 4.350 0.001 0.000 0.280 270 T C -0.263 174.495 174.700 0.097 0.000 0.999 270 T CA -0.377 61.770 62.100 0.078 0.000 0.983 270 T CB 1.702 70.608 68.868 0.065 0.000 0.968 270 T HN 0.966 nan 8.240 nan 0.000 0.446 271 A N 2.740 125.635 122.820 0.125 0.000 2.475 271 A HA 0.800 5.120 4.320 0.001 0.000 0.301 271 A C -0.765 177.007 177.584 0.315 0.000 1.059 271 A CA -0.922 51.236 52.037 0.202 0.000 0.710 271 A CB 1.592 20.719 19.000 0.211 0.000 1.288 271 A HN 0.721 nan 8.150 nan 0.000 0.408 272 K N 1.133 121.689 120.400 0.261 0.000 2.182 272 K HA 0.514 4.834 4.320 0.001 0.000 0.262 272 K C 0.374 176.919 176.600 -0.092 0.000 0.957 272 K CA -0.298 56.078 56.287 0.148 0.000 0.842 272 K CB 1.377 33.908 32.500 0.052 0.000 1.099 272 K HN 0.817 nan 8.250 nan 0.000 0.438 273 S N 1.878 117.286 115.700 -0.487 0.000 2.550 273 S HA -0.062 4.408 4.470 0.001 0.000 0.285 273 S C 0.902 175.251 174.600 -0.419 0.000 1.326 273 S CA 0.304 57.935 58.200 -0.949 0.000 1.037 273 S CB 0.615 63.400 63.200 -0.692 0.000 0.838 273 S HN 0.732 nan 8.310 nan 0.000 0.519 274 T N 2.698 117.028 114.554 -0.374 0.000 3.014 274 T HA 0.010 4.360 4.350 0.001 0.000 0.263 274 T C 1.288 175.911 174.700 -0.129 0.000 1.078 274 T CA 1.362 63.355 62.100 -0.178 0.000 1.135 274 T CB -0.346 68.446 68.868 -0.126 0.000 0.895 274 T HN 0.875 nan 8.240 nan 0.000 0.480 275 N N 0.009 118.621 118.700 -0.148 0.000 2.325 275 N HA 0.105 4.845 4.740 0.001 0.000 0.220 275 N C 0.879 176.339 175.510 -0.084 0.000 1.176 275 N CA 0.087 53.081 53.050 -0.093 0.000 0.861 275 N CB 0.223 38.666 38.487 -0.073 0.000 1.230 275 N HN 0.294 nan 8.380 nan 0.000 0.479 276 S N -0.453 115.179 115.700 -0.113 0.000 2.618 276 S HA 0.441 4.912 4.470 0.001 0.000 0.284 276 S C 0.595 175.150 174.600 -0.074 0.000 1.102 276 S CA -0.322 57.831 58.200 -0.078 0.000 0.984 276 S CB 1.209 64.370 63.200 -0.065 0.000 1.280 276 S HN -0.059 nan 8.310 nan 0.000 0.525 277 E N 0.149 120.324 120.200 -0.043 0.000 2.511 277 E HA 0.298 4.648 4.350 0.001 0.000 0.209 277 E C 0.210 176.812 176.600 0.003 0.000 0.986 277 E CA -0.154 56.233 56.400 -0.020 0.000 0.974 277 E CB -0.036 29.660 29.700 -0.005 0.000 1.030 277 E HN 0.654 nan 8.360 nan 0.000 0.490 278 E N 0.092 120.297 120.200 0.008 0.000 2.459 278 E HA -0.007 4.343 4.350 0.001 0.000 0.264 278 E C -0.617 176.078 176.600 0.158 0.000 1.055 278 E CA 0.741 57.191 56.400 0.084 0.000 0.957 278 E CB 0.558 30.334 29.700 0.126 0.000 0.952 278 E HN -0.051 nan 8.360 nan 0.000 0.448 279 T N 3.162 117.829 114.554 0.188 0.000 2.893 279 T HA 0.551 4.902 4.350 0.001 0.000 0.293 279 T C -0.763 174.036 174.700 0.166 0.000 1.027 279 T CA -0.639 61.578 62.100 0.194 0.000 0.988 279 T CB 0.545 69.477 68.868 0.106 0.000 1.043 279 T HN 0.437 nan 8.240 nan 0.000 0.461 280 I N 0.149 120.798 120.570 0.132 0.000 2.647 280 I HA 0.767 4.938 4.170 0.001 0.000 0.295 280 I C -0.874 175.246 176.117 0.004 0.000 1.078 280 I CA -1.021 60.277 61.300 -0.003 0.000 1.048 280 I CB 2.587 40.471 38.000 -0.194 0.000 1.239 280 I HN 0.434 nan 8.210 nan 0.000 0.421 281 E N 3.119 123.311 120.200 -0.013 0.000 2.248 281 E HA 0.579 4.929 4.350 0.001 0.000 0.267 281 E C -1.605 174.969 176.600 -0.043 0.000 0.877 281 E CA -0.664 55.733 56.400 -0.005 0.000 0.759 281 E CB 2.525 32.218 29.700 -0.011 0.000 1.182 281 E HN 0.586 nan 8.360 nan 0.000 0.418 282 D N 1.275 121.654 120.400 -0.035 0.000 2.583 282 D HA 0.162 4.802 4.640 0.001 0.000 0.248 282 D C -1.596 174.549 176.300 -0.259 0.000 1.209 282 D CA -0.568 53.315 54.000 -0.196 0.000 0.848 282 D CB 1.686 42.302 40.800 -0.306 0.000 1.431 282 D HN 0.461 nan 8.370 nan 0.000 0.436 283 E N 0.876 120.792 120.200 -0.474 0.000 2.212 283 E HA 0.641 4.991 4.350 0.001 0.000 0.268 283 E C -1.368 174.821 176.600 -0.686 0.000 0.902 283 E CA -0.592 55.588 56.400 -0.366 0.000 0.779 283 E CB 1.482 31.068 29.700 -0.190 0.000 1.172 283 E HN 0.243 nan 8.360 nan 0.000 0.409 284 F N 1.205 121.115 119.950 -0.066 0.000 2.629 284 F HA 0.363 4.890 4.527 0.001 0.000 0.316 284 F C 1.080 176.840 175.800 -0.068 0.000 1.081 284 F CA -1.005 56.955 58.000 -0.066 0.000 0.954 284 F CB 1.803 40.766 39.000 -0.062 0.000 1.337 284 F HN 0.428 nan 8.300 nan 0.000 0.474 285 N N -0.459 118.325 118.700 0.141 0.000 2.368 285 N HA 0.073 4.813 4.740 0.001 0.000 0.176 285 N C -0.296 175.244 175.510 0.050 0.000 1.021 285 N CA 0.875 53.950 53.050 0.043 0.000 0.888 285 N CB 0.420 38.908 38.487 0.002 0.000 0.995 285 N HN 0.476 nan 8.380 nan 0.000 0.437 286 T N 0.453 115.046 114.554 0.065 0.000 2.971 286 T HA 0.392 4.742 4.350 0.001 0.000 0.304 286 T C -0.842 173.833 174.700 -0.042 0.000 1.038 286 T CA -0.472 61.644 62.100 0.027 0.000 1.007 286 T CB 2.891 71.758 68.868 -0.001 0.000 1.055 286 T HN -0.357 nan 8.240 nan 0.000 0.451 287 V N 4.092 123.979 119.914 -0.044 0.000 2.357 287 V HA 0.519 4.639 4.120 0.001 0.000 0.284 287 V C -0.425 175.612 176.094 -0.094 0.000 1.018 287 V CA -0.812 61.413 62.300 -0.126 0.000 0.841 287 V CB 1.322 33.089 31.823 -0.092 0.000 0.991 287 V HN 0.729 nan 8.190 nan 0.000 0.437 288 L N 7.037 128.173 121.223 -0.145 0.000 2.264 288 L HA 0.574 4.914 4.340 0.001 0.000 0.289 288 L C -0.616 176.165 176.870 -0.148 0.000 1.044 288 L CA 0.201 54.959 54.840 -0.136 0.000 0.807 288 L CB 0.943 42.906 42.059 -0.161 0.000 1.192 288 L HN 0.520 nan 8.230 nan 0.000 0.425 289 L N 6.223 127.355 121.223 -0.151 0.000 2.264 289 L HA 0.658 4.999 4.340 0.001 0.000 0.289 289 L C 0.197 176.961 176.870 -0.176 0.000 1.044 289 L CA -0.467 54.270 54.840 -0.171 0.000 0.807 289 L CB 1.387 43.307 42.059 -0.232 0.000 1.192 289 L HN 0.857 nan 8.230 nan 0.000 0.425 290 A N 4.039 126.776 122.820 -0.139 0.000 3.258 290 A HA 0.496 4.816 4.320 0.001 0.000 0.318 290 A C 0.122 177.649 177.584 -0.096 0.000 0.990 290 A CA -0.337 51.626 52.037 -0.123 0.000 0.885 290 A CB 0.345 19.276 19.000 -0.115 0.000 1.090 290 A HN 0.528 nan 8.150 nan 0.000 0.479 291 V N -1.533 118.324 119.914 -0.094 0.000 2.854 291 V HA 0.706 4.826 4.120 0.001 0.000 0.366 291 V C 0.458 176.532 176.094 -0.032 0.000 1.322 291 V CA 0.032 62.301 62.300 -0.053 0.000 1.243 291 V CB -0.781 31.015 31.823 -0.044 0.000 1.337 291 V HN 1.936 nan 8.190 nan 0.000 0.585 292 G N 0.900 109.677 108.800 -0.038 0.000 2.541 292 G HA2 0.077 4.038 3.960 0.001 0.000 0.686 292 G HA3 0.077 4.038 3.960 0.001 0.000 0.686 292 G C -0.892 174.006 174.900 -0.003 0.000 1.286 292 G CA -0.724 44.372 45.100 -0.007 0.000 0.894 292 G HN 0.662 nan 8.290 nan 0.000 0.575 293 R N 0.008 120.525 120.500 0.029 0.000 2.771 293 R HA 0.631 4.971 4.340 0.001 0.000 0.274 293 R C -1.799 174.538 176.300 0.063 0.000 0.987 293 R CA -1.045 55.084 56.100 0.048 0.000 0.908 293 R CB 2.230 32.566 30.300 0.060 0.000 1.213 293 R HN 0.511 nan 8.270 nan 0.000 0.468 294 D N 0.719 121.164 120.400 0.075 0.000 2.256 294 D HA 0.235 4.875 4.640 0.001 0.000 0.246 294 D C -0.436 175.912 176.300 0.080 0.000 1.042 294 D CA -0.320 53.725 54.000 0.075 0.000 0.841 294 D CB 2.073 42.920 40.800 0.080 0.000 1.223 294 D HN 0.267 nan 8.370 nan 0.000 0.470 295 S N 0.836 116.578 115.700 0.070 0.000 2.549 295 S HA 0.024 4.494 4.470 0.001 0.000 0.286 295 S C 0.360 175.006 174.600 0.076 0.000 1.314 295 S CA -0.296 57.945 58.200 0.069 0.000 1.062 295 S CB 0.216 63.448 63.200 0.054 0.000 0.865 295 S HN 0.456 nan 8.310 nan 0.000 0.498 296 C N 3.802 123.151 119.300 0.082 0.000 2.615 296 C HA 0.316 4.776 4.460 0.001 0.000 0.503 296 C C 1.802 176.835 174.990 0.073 0.000 1.039 296 C CA -0.651 58.423 59.018 0.093 0.000 1.226 296 C CB -2.200 25.606 27.740 0.110 0.000 1.447 296 C HN 1.023 nan 8.230 nan 0.000 0.572 297 T N -2.879 111.715 114.554 0.066 0.000 3.058 297 T HA 0.118 4.468 4.350 0.001 0.000 0.278 297 T C 1.470 176.204 174.700 0.056 0.000 0.974 297 T CA -0.220 61.913 62.100 0.054 0.000 0.893 297 T CB -0.005 68.888 68.868 0.040 0.000 1.138 297 T HN 0.432 nan 8.240 nan 0.000 0.529 298 R N 1.892 122.431 120.500 0.065 0.000 2.223 298 R HA 0.158 4.498 4.340 0.001 0.000 0.198 298 R C 1.549 177.890 176.300 0.068 0.000 0.984 298 R CA 1.267 57.400 56.100 0.056 0.000 1.018 298 R CB -0.421 29.909 30.300 0.050 0.000 0.945 298 R HN 0.623 nan 8.270 nan 0.000 0.479 299 T N -1.886 112.728 114.554 0.100 0.000 3.296 299 T HA 0.272 4.622 4.350 0.001 0.000 0.285 299 T C 1.158 175.964 174.700 0.176 0.000 1.014 299 T CA -0.473 61.701 62.100 0.124 0.000 0.920 299 T CB -0.506 68.438 68.868 0.125 0.000 1.143 299 T HN 0.262 nan 8.240 nan 0.000 0.522 300 I N -2.389 118.248 120.570 0.113 0.000 3.927 300 I HA 0.642 4.812 4.170 0.001 0.000 0.332 300 I C 1.185 177.364 176.117 0.103 0.000 1.485 300 I CA -0.607 60.726 61.300 0.055 0.000 1.131 300 I CB -0.410 37.567 38.000 -0.039 0.000 1.092 300 I HN 0.232 nan 8.210 nan 0.000 0.410 301 G N 2.324 111.192 108.800 0.114 0.000 2.246 301 G HA2 -0.257 3.704 3.960 0.001 0.000 0.273 301 G HA3 -0.257 3.704 3.960 0.001 0.000 0.273 301 G C 0.539 175.522 174.900 0.139 0.000 1.055 301 G CA 0.548 45.722 45.100 0.123 0.000 0.851 301 G HN 0.511 nan 8.290 nan 0.000 0.500 302 L N -0.821 120.457 121.223 0.092 0.000 2.191 302 L HA -0.076 4.265 4.340 0.001 0.000 0.212 302 L C 2.764 179.589 176.870 -0.075 0.000 1.103 302 L CA 1.860 56.690 54.840 -0.017 0.000 0.769 302 L CB -0.354 41.693 42.059 -0.020 0.000 0.908 302 L HN 0.420 nan 8.230 nan 0.000 0.438 303 E N -0.239 119.944 120.200 -0.030 0.000 2.130 303 E HA -0.229 4.121 4.350 0.001 0.000 0.196 303 E C 2.050 178.620 176.600 -0.049 0.000 0.998 303 E CA 1.858 58.236 56.400 -0.036 0.000 0.806 303 E CB -0.924 28.769 29.700 -0.012 0.000 0.738 303 E HN 0.520 nan 8.360 nan 0.000 0.459 304 T N -1.759 112.773 114.554 -0.036 0.000 3.085 304 T HA 0.009 4.360 4.350 0.001 0.000 0.263 304 T C 1.492 176.145 174.700 -0.078 0.000 1.127 304 T CA 0.792 62.876 62.100 -0.027 0.000 1.103 304 T CB -0.149 68.733 68.868 0.024 0.000 0.921 304 T HN 0.170 nan 8.240 nan 0.000 0.510 305 V N -3.561 116.241 119.914 -0.186 0.000 3.477 305 V HA 0.689 4.809 4.120 0.001 0.000 0.297 305 V C 1.639 177.582 176.094 -0.251 0.000 1.433 305 V CA -0.134 61.996 62.300 -0.283 0.000 1.052 305 V CB -0.603 30.823 31.823 -0.661 0.000 0.895 305 V HN 0.570 nan 8.190 nan 0.000 0.438 306 G N 0.931 109.619 108.800 -0.187 0.000 2.147 306 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 306 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 306 G C 0.025 174.818 174.900 -0.177 0.000 1.005 306 G CA 0.140 45.152 45.100 -0.147 0.000 0.713 306 G HN 0.755 nan 8.290 nan 0.000 0.515 307 V N 0.797 120.577 119.914 -0.223 0.000 2.488 307 V HA 0.293 4.413 4.120 0.001 0.000 0.277 307 V C 0.922 176.935 176.094 -0.134 0.000 1.046 307 V CA -0.072 62.099 62.300 -0.215 0.000 0.986 307 V CB 1.338 33.002 31.823 -0.264 0.000 0.989 307 V HN 0.326 nan 8.190 nan 0.000 0.475 308 K N 5.742 126.074 120.400 -0.114 0.000 2.234 308 K HA 0.579 4.899 4.320 0.001 0.000 0.282 308 K C -0.310 176.251 176.600 -0.064 0.000 1.039 308 K CA -0.232 56.008 56.287 -0.078 0.000 0.928 308 K CB 1.210 33.668 32.500 -0.070 0.000 1.039 308 K HN 0.723 nan 8.250 nan 0.000 0.470 309 I N -0.927 119.616 120.570 -0.045 0.000 2.910 309 I HA 0.367 4.538 4.170 0.001 0.000 0.310 309 I C -0.220 175.882 176.117 -0.024 0.000 1.043 309 I CA -1.106 60.175 61.300 -0.031 0.000 1.053 309 I CB 1.675 39.664 38.000 -0.017 0.000 1.242 309 I HN 0.380 nan 8.210 nan 0.000 0.452 310 N N 3.344 122.032 118.700 -0.019 0.000 2.416 310 N HA -0.003 4.737 4.740 0.001 0.000 0.265 310 N C 0.714 176.221 175.510 -0.006 0.000 1.195 310 N CA 0.268 53.310 53.050 -0.013 0.000 0.943 310 N CB 0.783 39.263 38.487 -0.012 0.000 1.115 310 N HN 0.657 nan 8.380 nan 0.000 0.481 311 E N 3.633 123.830 120.200 -0.006 0.000 2.058 311 E HA -0.211 4.140 4.350 0.001 0.000 0.194 311 E C 1.339 177.942 176.600 0.005 0.000 0.997 311 E CA 1.100 57.500 56.400 -0.000 0.000 0.801 311 E CB 0.031 29.730 29.700 -0.002 0.000 0.746 311 E HN 0.660 nan 8.360 nan 0.000 0.450 312 K N 0.222 120.625 120.400 0.005 0.000 2.002 312 K HA -0.120 4.201 4.320 0.001 0.000 0.209 312 K C 2.204 178.812 176.600 0.014 0.000 1.048 312 K CA 2.032 58.325 56.287 0.009 0.000 0.930 312 K CB -0.152 32.352 32.500 0.007 0.000 0.714 312 K HN 0.269 nan 8.250 nan 0.000 0.438 313 T N -3.603 110.958 114.554 0.012 0.000 3.014 313 T HA 0.121 4.471 4.350 0.001 0.000 0.263 313 T C 1.485 176.198 174.700 0.022 0.000 1.078 313 T CA 1.123 63.234 62.100 0.017 0.000 1.135 313 T CB 0.129 69.005 68.868 0.013 0.000 0.895 313 T HN 0.456 nan 8.240 nan 0.000 0.480 314 G N 1.471 110.282 108.800 0.018 0.000 2.195 314 G HA2 -0.217 3.743 3.960 0.001 0.000 0.246 314 G HA3 -0.217 3.743 3.960 0.001 0.000 0.246 314 G C 0.153 175.064 174.900 0.019 0.000 0.984 314 G CA 0.100 45.213 45.100 0.022 0.000 0.633 314 G HN 0.637 nan 8.290 nan 0.000 0.525 315 K N 0.468 120.876 120.400 0.013 0.000 2.202 315 K HA 0.533 4.853 4.320 0.001 0.000 0.264 315 K C 0.548 177.144 176.600 -0.006 0.000 1.010 315 K CA -0.302 55.989 56.287 0.007 0.000 0.940 315 K CB 1.119 33.620 32.500 0.001 0.000 0.983 315 K HN 0.350 nan 8.250 nan 0.000 0.475 316 I N 3.795 124.359 120.570 -0.010 0.000 2.312 316 I HA 0.174 4.344 4.170 0.001 0.000 0.290 316 I C -2.156 173.938 176.117 -0.038 0.000 1.008 316 I CA -2.433 58.852 61.300 -0.025 0.000 1.226 316 I CB 1.366 39.354 38.000 -0.021 0.000 1.371 316 I HN 0.159 nan 8.210 nan 0.000 0.468 317 P HA 0.182 nan 4.420 nan 0.000 0.269 317 P C -0.741 176.522 177.300 -0.062 0.000 1.209 317 P CA -0.085 62.983 63.100 -0.055 0.000 0.776 317 P CB 1.111 32.779 31.700 -0.053 0.000 0.876 318 V N 1.533 121.409 119.914 -0.062 0.000 2.969 318 V HA 0.328 4.448 4.120 0.001 0.000 0.304 318 V C 0.120 176.186 176.094 -0.046 0.000 1.192 318 V CA -0.495 61.771 62.300 -0.056 0.000 0.962 318 V CB 2.398 34.198 31.823 -0.037 0.000 1.045 318 V HN 0.744 nan 8.190 nan 0.000 0.428 319 T N 0.496 115.030 114.554 -0.034 0.000 2.748 319 T HA 0.077 4.427 4.350 0.001 0.000 0.304 319 T C 1.012 175.723 174.700 0.018 0.000 1.041 319 T CA 0.493 62.586 62.100 -0.012 0.000 1.033 319 T CB 0.455 69.320 68.868 -0.005 0.000 0.995 319 T HN 0.880 nan 8.240 nan 0.000 0.536 320 D N -0.566 119.851 120.400 0.029 0.000 2.403 320 D HA -0.110 4.530 4.640 0.001 0.000 0.227 320 D C 0.978 177.337 176.300 0.098 0.000 0.995 320 D CA 0.751 54.789 54.000 0.063 0.000 0.928 320 D CB -0.280 40.555 40.800 0.057 0.000 0.887 320 D HN 0.861 nan 8.370 nan 0.000 0.529 321 E N -0.219 120.038 120.200 0.095 0.000 2.501 321 E HA 0.089 4.439 4.350 0.001 0.000 0.200 321 E C -0.387 176.329 176.600 0.193 0.000 1.016 321 E CA -0.186 56.288 56.400 0.124 0.000 0.921 321 E CB 0.314 30.086 29.700 0.121 0.000 1.034 321 E HN 0.067 nan 8.360 nan 0.000 0.468 322 E N 0.458 120.759 120.200 0.167 0.000 3.413 322 E HA -0.223 4.127 4.350 0.001 0.000 0.300 322 E C -0.174 176.565 176.600 0.232 0.000 0.891 322 E CA 0.574 57.091 56.400 0.196 0.000 1.050 322 E CB -1.167 28.662 29.700 0.215 0.000 1.534 322 E HN 0.252 nan 8.360 nan 0.000 0.436 323 Q N 0.954 120.803 119.800 0.082 0.000 2.267 323 Q HA 0.328 4.668 4.340 0.001 0.000 0.255 323 Q C 0.599 176.449 176.000 -0.250 0.000 0.923 323 Q CA 0.302 55.913 55.803 -0.320 0.000 0.925 323 Q CB 0.836 29.399 28.738 -0.292 0.000 1.195 323 Q HN 0.302 nan 8.270 nan 0.000 0.417 324 T N 0.257 114.613 114.554 -0.331 0.000 2.689 324 T HA 0.027 4.378 4.350 0.001 0.000 0.308 324 T C 1.306 175.869 174.700 -0.228 0.000 1.021 324 T CA 0.020 61.978 62.100 -0.237 0.000 0.973 324 T CB 0.273 68.989 68.868 -0.254 0.000 1.113 324 T HN 0.809 nan 8.240 nan 0.000 0.522 325 N N -0.250 118.340 118.700 -0.184 0.000 2.309 325 N HA -0.084 4.657 4.740 0.001 0.000 0.182 325 N C 0.434 175.837 175.510 -0.179 0.000 1.018 325 N CA 0.518 53.477 53.050 -0.153 0.000 0.876 325 N CB -0.951 37.465 38.487 -0.119 0.000 0.972 325 N HN 0.415 nan 8.380 nan 0.000 0.434 326 V N 3.286 123.045 119.914 -0.258 0.000 2.405 326 V HA 0.120 4.240 4.120 0.001 0.000 0.264 326 V C -1.265 174.616 176.094 -0.355 0.000 1.048 326 V CA -1.096 61.017 62.300 -0.312 0.000 0.966 326 V CB 1.146 32.676 31.823 -0.489 0.000 1.015 326 V HN 0.049 nan 8.190 nan 0.000 0.477 327 P HA -0.182 nan 4.420 nan 0.000 0.217 327 P C 1.025 178.251 177.300 -0.123 0.000 1.148 327 P CA 1.563 64.590 63.100 -0.122 0.000 0.828 327 P CB -0.036 31.689 31.700 0.041 0.000 0.783 328 Y N -2.596 117.638 120.300 -0.111 0.000 2.457 328 Y HA 0.446 4.997 4.550 0.001 0.000 0.263 328 Y C 0.426 176.347 175.900 0.035 0.000 1.164 328 Y CA -0.838 57.271 58.100 0.016 0.000 1.274 328 Y CB -0.597 37.895 38.460 0.053 0.000 1.097 328 Y HN -0.200 nan 8.280 nan 0.000 0.523 329 I N 1.435 121.690 120.570 -0.524 0.000 2.389 329 I HA 0.319 4.489 4.170 0.001 0.000 0.288 329 I C -1.252 174.622 176.117 -0.405 0.000 0.999 329 I CA -0.904 60.186 61.300 -0.350 0.000 1.129 329 I CB 1.202 38.860 38.000 -0.571 0.000 1.288 329 I HN -0.035 nan 8.210 nan 0.000 0.444 330 Y N 4.081 124.381 120.300 0.000 0.000 2.549 330 Y HA 0.811 5.361 4.550 0.001 0.000 0.339 330 Y C 0.230 176.146 175.900 0.026 0.000 1.053 330 Y CA -0.814 57.289 58.100 0.006 0.000 1.105 330 Y CB 2.106 40.578 38.460 0.021 0.000 1.258 330 Y HN 0.563 nan 8.280 nan 0.000 0.478 331 A N 2.220 125.140 122.820 0.167 0.000 2.515 331 A HA 0.839 5.159 4.320 0.001 0.000 0.298 331 A C -1.902 175.751 177.584 0.114 0.000 1.059 331 A CA -0.573 51.532 52.037 0.113 0.000 0.698 331 A CB 1.293 20.325 19.000 0.053 0.000 1.289 331 A HN 0.485 nan 8.150 nan 0.000 0.404 332 I N 0.757 121.386 120.570 0.098 0.000 2.769 332 I HA 0.754 4.925 4.170 0.001 0.000 0.298 332 I C 0.875 177.044 176.117 0.087 0.000 1.128 332 I CA 0.759 62.120 61.300 0.100 0.000 1.031 332 I CB 1.228 39.282 38.000 0.089 0.000 1.235 332 I HN 1.667 nan 8.210 nan 0.000 0.423 333 G N 5.763 114.625 108.800 0.103 0.000 2.525 333 G HA2 -0.242 3.718 3.960 0.001 0.000 0.248 333 G HA3 -0.242 3.718 3.960 0.001 0.000 0.248 333 G C 0.410 175.360 174.900 0.084 0.000 1.238 333 G CA 0.349 45.506 45.100 0.094 0.000 0.926 333 G HN 0.495 nan 8.290 nan 0.000 0.574 334 D N 0.600 121.049 120.400 0.081 0.000 2.265 334 D HA -0.099 4.542 4.640 0.001 0.000 0.208 334 D C 2.431 178.769 176.300 0.064 0.000 0.977 334 D CA 1.594 55.642 54.000 0.080 0.000 0.871 334 D CB -0.242 40.612 40.800 0.091 0.000 0.925 334 D HN 0.714 nan 8.370 nan 0.000 0.485 335 I N -2.335 118.269 120.570 0.056 0.000 3.428 335 I HA 0.036 4.206 4.170 0.001 0.000 0.286 335 I C 0.380 176.512 176.117 0.025 0.000 1.287 335 I CA -0.012 61.314 61.300 0.043 0.000 1.396 335 I CB -0.270 37.757 38.000 0.044 0.000 1.062 335 I HN -0.189 nan 8.210 nan 0.000 0.471 336 L N 2.811 124.045 121.223 0.019 0.000 2.410 336 L HA 0.157 4.497 4.340 0.001 0.000 0.273 336 L C 0.703 177.552 176.870 -0.035 0.000 1.152 336 L CA 0.259 55.090 54.840 -0.015 0.000 0.855 336 L CB 0.522 42.562 42.059 -0.032 0.000 1.129 336 L HN 0.305 nan 8.230 nan 0.000 0.463 337 E N 2.315 122.488 120.200 -0.046 0.000 2.376 337 E HA 0.131 4.481 4.350 0.001 0.000 0.266 337 E C 0.971 177.523 176.600 -0.080 0.000 1.009 337 E CA 0.635 57.006 56.400 -0.049 0.000 0.902 337 E CB 0.562 30.235 29.700 -0.044 0.000 0.972 337 E HN 0.809 nan 8.360 nan 0.000 0.439 338 G N 3.669 112.430 108.800 -0.065 0.000 2.168 338 G HA2 -0.255 3.705 3.960 0.001 0.000 0.257 338 G HA3 -0.255 3.705 3.960 0.001 0.000 0.257 338 G C 0.261 175.088 174.900 -0.123 0.000 0.997 338 G CA 0.636 45.688 45.100 -0.080 0.000 0.708 338 G HN 0.442 nan 8.290 nan 0.000 0.520 339 K N -1.001 119.318 120.400 -0.135 0.000 2.443 339 K HA 0.846 5.167 4.320 0.001 0.000 0.284 339 K C 0.773 177.350 176.600 -0.039 0.000 0.992 339 K CA -0.535 55.643 56.287 -0.182 0.000 1.292 339 K CB 0.023 32.359 32.500 -0.273 0.000 1.705 339 K HN 0.248 nan 8.250 nan 0.000 0.778 340 L N 0.813 122.062 121.223 0.042 0.000 2.354 340 L HA 0.383 4.723 4.340 0.001 0.000 0.264 340 L C -0.326 176.598 176.870 0.089 0.000 1.008 340 L CA -0.494 54.386 54.840 0.067 0.000 0.819 340 L CB 1.927 44.040 42.059 0.090 0.000 1.339 340 L HN 0.418 nan 8.230 nan 0.000 0.420 341 E N 3.471 123.724 120.200 0.087 0.000 2.731 341 E HA 0.504 4.855 4.350 0.001 0.000 0.220 341 E C -1.323 175.343 176.600 0.110 0.000 1.087 341 E CA -0.115 56.353 56.400 0.113 0.000 1.020 341 E CB 0.686 30.474 29.700 0.147 0.000 1.339 341 E HN 0.335 nan 8.360 nan 0.000 0.444 342 L N 0.383 121.658 121.223 0.087 0.000 2.422 342 L HA 0.302 4.642 4.340 0.001 0.000 0.264 342 L C 1.294 178.201 176.870 0.062 0.000 0.984 342 L CA -0.617 54.261 54.840 0.064 0.000 0.819 342 L CB 2.103 44.181 42.059 0.031 0.000 1.330 342 L HN 0.162 nan 8.230 nan 0.000 0.410 343 T N 1.260 115.849 114.554 0.058 0.000 2.635 343 T HA -0.107 4.244 4.350 0.001 0.000 0.267 343 T C -1.103 173.615 174.700 0.029 0.000 1.040 343 T CA 1.928 64.054 62.100 0.044 0.000 1.156 343 T CB -0.635 68.257 68.868 0.040 0.000 0.863 343 T HN 0.492 nan 8.240 nan 0.000 0.430 344 P HA 0.049 nan 4.420 nan 0.000 0.222 344 P C 1.478 178.769 177.300 -0.014 0.000 1.147 344 P CA 0.402 63.503 63.100 0.002 0.000 0.790 344 P CB -0.127 31.570 31.700 -0.005 0.000 0.780 345 V N 0.300 120.213 119.914 -0.001 0.000 2.323 345 V HA -0.195 3.926 4.120 0.001 0.000 0.244 345 V C 2.490 178.595 176.094 0.019 0.000 1.041 345 V CA 2.135 64.427 62.300 -0.013 0.000 1.025 345 V CB -1.603 30.254 31.823 0.056 0.000 0.656 345 V HN 0.085 nan 8.190 nan 0.000 0.451 346 A N -0.028 122.825 122.820 0.054 0.000 1.917 346 A HA -0.232 4.088 4.320 0.001 0.000 0.219 346 A C 2.165 179.766 177.584 0.029 0.000 1.182 346 A CA 2.195 54.266 52.037 0.056 0.000 0.633 346 A CB -0.612 18.420 19.000 0.054 0.000 0.819 346 A HN 0.521 nan 8.150 nan 0.000 0.448 347 I N -1.054 119.524 120.570 0.014 0.000 2.252 347 I HA -0.275 3.896 4.170 0.001 0.000 0.245 347 I C 2.784 178.898 176.117 -0.005 0.000 1.102 347 I CA 1.819 63.123 61.300 0.007 0.000 1.385 347 I CB -0.278 37.726 38.000 0.008 0.000 1.064 347 I HN 0.485 nan 8.210 nan 0.000 0.414 348 Q N 1.304 121.087 119.800 -0.028 0.000 2.046 348 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 348 Q C 2.215 178.185 176.000 -0.051 0.000 0.975 348 Q CA 2.219 57.989 55.803 -0.054 0.000 0.836 348 Q CB -0.297 28.380 28.738 -0.102 0.000 0.896 348 Q HN 0.452 nan 8.270 nan 0.000 0.428 349 A N 0.126 122.918 122.820 -0.046 0.000 1.892 349 A HA -0.159 4.162 4.320 0.001 0.000 0.218 349 A C 2.326 179.920 177.584 0.016 0.000 1.188 349 A CA 1.948 53.985 52.037 0.000 0.000 0.631 349 A CB -1.642 17.407 19.000 0.081 0.000 0.822 349 A HN 0.601 nan 8.150 nan 0.000 0.447 350 G N -1.029 107.784 108.800 0.021 0.000 2.402 350 G HA2 -0.228 3.732 3.960 0.001 0.000 0.216 350 G HA3 -0.228 3.732 3.960 0.001 0.000 0.216 350 G C 1.746 176.657 174.900 0.018 0.000 1.162 350 G CA 1.035 46.148 45.100 0.021 0.000 0.777 350 G HN 0.577 nan 8.290 nan 0.000 0.539 351 R N -0.051 120.459 120.500 0.016 0.000 2.070 351 R HA 0.087 4.427 4.340 0.001 0.000 0.233 351 R C 2.553 178.869 176.300 0.026 0.000 1.137 351 R CA 1.067 57.184 56.100 0.028 0.000 0.945 351 R CB -0.406 29.905 30.300 0.017 0.000 0.845 351 R HN 0.371 nan 8.270 nan 0.000 0.430 352 L N 1.001 122.224 121.223 -0.001 0.000 2.201 352 L HA -0.168 4.172 4.340 0.001 0.000 0.212 352 L C 2.467 179.315 176.870 -0.036 0.000 1.105 352 L CA 0.377 55.209 54.840 -0.013 0.000 0.775 352 L CB -0.383 41.658 42.059 -0.030 0.000 0.913 352 L HN 0.289 nan 8.230 nan 0.000 0.440 353 L N 0.341 121.536 121.223 -0.047 0.000 2.017 353 L HA -0.133 4.207 4.340 0.001 0.000 0.208 353 L C 2.681 179.447 176.870 -0.174 0.000 1.073 353 L CA 2.021 56.787 54.840 -0.123 0.000 0.745 353 L CB -0.675 41.309 42.059 -0.125 0.000 0.894 353 L HN 0.124 nan 8.230 nan 0.000 0.432 354 A N -1.118 121.663 122.820 -0.064 0.000 1.940 354 A HA -0.243 4.077 4.320 0.001 0.000 0.219 354 A C 2.183 179.764 177.584 -0.005 0.000 1.176 354 A CA 1.724 53.776 52.037 0.026 0.000 0.631 354 A CB -0.602 18.522 19.000 0.207 0.000 0.814 354 A HN 0.615 nan 8.150 nan 0.000 0.446 355 Q N -0.371 119.445 119.800 0.028 0.000 2.050 355 Q HA -0.148 4.192 4.340 0.001 0.000 0.202 355 Q C 2.261 178.173 176.000 -0.147 0.000 0.980 355 Q CA 1.685 57.492 55.803 0.006 0.000 0.840 355 Q CB -0.404 28.363 28.738 0.048 0.000 0.898 355 Q HN 0.718 nan 8.270 nan 0.000 0.424 356 R N -0.051 120.352 120.500 -0.161 0.000 2.081 356 R HA -0.036 4.304 4.340 0.001 0.000 0.235 356 R C 2.510 178.628 176.300 -0.303 0.000 1.131 356 R CA 0.913 56.900 56.100 -0.189 0.000 0.960 356 R CB -0.261 29.948 30.300 -0.151 0.000 0.856 356 R HN 0.205 nan 8.270 nan 0.000 0.436 357 L N -1.133 119.801 121.223 -0.482 0.000 2.027 357 L HA -0.161 4.179 4.340 0.001 0.000 0.206 357 L C 1.397 177.778 176.870 -0.815 0.000 1.074 357 L CA 1.352 55.725 54.840 -0.777 0.000 0.745 357 L CB -0.157 41.136 42.059 -1.277 0.000 0.898 357 L HN 0.245 nan 8.230 nan 0.000 0.433 358 Y N -2.007 118.059 120.300 -0.389 0.000 2.453 358 Y HA 0.299 4.849 4.550 0.001 0.000 0.247 358 Y C 1.906 177.147 175.900 -1.098 0.000 1.124 358 Y CA 0.004 57.728 58.100 -0.628 0.000 1.243 358 Y CB 0.056 38.165 38.460 -0.584 0.000 1.213 358 Y HN -0.042 nan 8.280 nan 0.000 0.523 359 G N -0.892 107.424 108.800 -0.807 0.000 3.192 359 G HA2 0.361 4.321 3.960 0.001 0.000 0.239 359 G HA3 0.361 4.321 3.960 0.001 0.000 0.239 359 G C 1.220 175.999 174.900 -0.202 0.000 1.084 359 G CA 0.045 44.781 45.100 -0.608 0.000 0.784 359 G HN 0.404 nan 8.290 nan 0.000 0.540 360 G N 0.226 108.911 108.800 -0.192 0.000 2.305 360 G HA2 -0.210 3.750 3.960 0.001 0.000 0.287 360 G HA3 -0.210 3.750 3.960 0.001 0.000 0.287 360 G C 0.377 175.238 174.900 -0.065 0.000 1.036 360 G CA 0.735 45.775 45.100 -0.101 0.000 0.887 360 G HN 0.957 nan 8.290 nan 0.000 0.505 361 S N -1.342 114.314 115.700 -0.073 0.000 2.654 361 S HA 0.746 5.216 4.470 0.001 0.000 0.283 361 S C 1.442 176.017 174.600 -0.042 0.000 1.180 361 S CA 0.727 58.904 58.200 -0.039 0.000 1.021 361 S CB 1.273 64.459 63.200 -0.023 0.000 1.018 361 S HN 1.088 nan 8.310 nan 0.000 0.532 362 T N -0.191 114.348 114.554 -0.025 0.000 3.043 362 T HA 0.264 4.615 4.350 0.001 0.000 0.272 362 T C -0.025 174.666 174.700 -0.015 0.000 0.990 362 T CA -0.192 61.895 62.100 -0.021 0.000 0.897 362 T CB -0.250 68.610 68.868 -0.013 0.000 1.111 362 T HN 0.315 nan 8.240 nan 0.000 0.529 363 V N 2.768 122.672 119.914 -0.016 0.000 2.446 363 V HA 0.254 4.374 4.120 0.001 0.000 0.276 363 V C 0.448 176.533 176.094 -0.016 0.000 1.030 363 V CA -0.260 62.031 62.300 -0.015 0.000 1.033 363 V CB -0.061 31.752 31.823 -0.016 0.000 0.993 363 V HN 0.381 nan 8.190 nan 0.000 0.477 364 K N 3.021 123.417 120.400 -0.008 0.000 2.098 364 K HA 0.450 4.771 4.320 0.001 0.000 0.244 364 K C -0.137 176.448 176.600 -0.024 0.000 1.014 364 K CA -0.472 55.817 56.287 0.004 0.000 0.917 364 K CB 1.084 33.603 32.500 0.031 0.000 1.072 364 K HN 0.747 nan 8.250 nan 0.000 0.477 365 C N 1.644 120.925 119.300 -0.031 0.000 2.347 365 C HA 0.232 4.692 4.460 0.001 0.000 0.353 365 C C -0.481 174.377 174.990 -0.221 0.000 1.273 365 C CA -0.593 58.320 59.018 -0.174 0.000 1.861 365 C CB -0.236 27.347 27.740 -0.262 0.000 2.420 365 C HN 0.659 nan 8.230 nan 0.000 0.542 366 D N 3.754 124.018 120.400 -0.227 0.000 2.347 366 D HA 0.211 4.852 4.640 0.001 0.000 0.235 366 D C -0.149 176.033 176.300 -0.196 0.000 1.149 366 D CA 0.003 53.927 54.000 -0.126 0.000 0.850 366 D CB 0.389 41.145 40.800 -0.073 0.000 1.061 366 D HN 0.711 nan 8.370 nan 0.000 0.487 367 Y N 1.239 121.533 120.300 -0.009 0.000 2.468 367 Y HA 0.149 4.699 4.550 0.001 0.000 0.268 367 Y C 0.254 176.144 175.900 -0.016 0.000 1.177 367 Y CA -0.509 57.583 58.100 -0.012 0.000 1.265 367 Y CB 0.463 38.918 38.460 -0.008 0.000 1.103 367 Y HN 0.199 nan 8.280 nan 0.000 0.522 368 D N 0.711 121.171 120.400 0.100 0.000 2.255 368 D HA 0.081 4.721 4.640 0.001 0.000 0.249 368 D C 0.059 176.371 176.300 0.021 0.000 1.078 368 D CA -0.006 54.029 54.000 0.057 0.000 0.896 368 D CB 0.395 41.223 40.800 0.047 0.000 1.194 368 D HN 0.103 nan 8.370 nan 0.000 0.429 369 N N 0.345 119.053 118.700 0.015 0.000 2.714 369 N HA -0.156 4.584 4.740 0.001 0.000 0.253 369 N C -0.889 174.602 175.510 -0.032 0.000 1.024 369 N CA 0.293 53.337 53.050 -0.009 0.000 0.726 369 N CB -1.165 37.315 38.487 -0.013 0.000 0.908 369 N HN 0.137 nan 8.380 nan 0.000 0.542 370 V N 1.915 121.814 119.914 -0.025 0.000 2.432 370 V HA 0.269 4.390 4.120 0.001 0.000 0.271 370 V C -1.296 174.765 176.094 -0.055 0.000 1.046 370 V CA -1.061 61.215 62.300 -0.039 0.000 0.945 370 V CB 1.307 33.120 31.823 -0.015 0.000 0.992 370 V HN 0.143 nan 8.190 nan 0.000 0.471 371 P HA 0.293 nan 4.420 nan 0.000 0.275 371 P C -0.362 176.893 177.300 -0.075 0.000 1.228 371 P CA 0.049 63.099 63.100 -0.083 0.000 0.786 371 P CB 1.189 32.831 31.700 -0.097 0.000 0.927 372 T N -1.150 113.349 114.554 -0.091 0.000 2.901 372 T HA 0.664 5.014 4.350 0.001 0.000 0.293 372 T C -0.883 173.715 174.700 -0.170 0.000 1.084 372 T CA -0.533 61.509 62.100 -0.096 0.000 1.008 372 T CB 1.443 70.276 68.868 -0.058 0.000 1.170 372 T HN 0.291 nan 8.240 nan 0.000 0.509 373 T N 1.461 115.871 114.554 -0.239 0.000 2.991 373 T HA 0.535 4.885 4.350 0.001 0.000 0.303 373 T C -0.892 173.458 174.700 -0.584 0.000 1.015 373 T CA -0.566 61.256 62.100 -0.463 0.000 1.007 373 T CB 1.525 70.026 68.868 -0.612 0.000 1.034 373 T HN 0.696 nan 8.240 nan 0.000 0.446 374 V N 3.901 123.531 119.914 -0.473 0.000 2.383 374 V HA 0.361 4.481 4.120 0.001 0.000 0.275 374 V C -0.282 175.578 176.094 -0.390 0.000 1.036 374 V CA -0.557 61.564 62.300 -0.299 0.000 0.889 374 V CB 0.475 32.223 31.823 -0.124 0.000 0.985 374 V HN 0.900 nan 8.190 nan 0.000 0.459 375 F N 3.088 123.016 119.950 -0.037 0.000 2.833 375 F HA 0.168 4.695 4.527 0.001 0.000 0.327 375 F C 1.574 177.231 175.800 -0.239 0.000 1.184 375 F CA -0.510 57.335 58.000 -0.258 0.000 1.328 375 F CB -0.438 38.289 39.000 -0.454 0.000 1.440 375 F HN 0.551 nan 8.300 nan 0.000 0.569 376 T N -2.448 112.146 114.554 0.066 0.000 2.813 376 T HA 0.103 4.453 4.350 0.001 0.000 0.297 376 T C -1.534 173.309 174.700 0.239 0.000 1.036 376 T CA -1.573 60.619 62.100 0.155 0.000 1.044 376 T CB 0.932 69.885 68.868 0.142 0.000 0.993 376 T HN -0.047 nan 8.240 nan 0.000 0.535 377 P HA -0.058 nan 4.420 nan 0.000 0.216 377 P C 0.388 177.861 177.300 0.289 0.000 1.157 377 P CA 0.657 63.971 63.100 0.356 0.000 0.880 377 P CB -0.040 31.851 31.700 0.318 0.000 0.791 378 L N 0.369 121.665 121.223 0.121 0.000 2.261 378 L HA 0.191 4.532 4.340 0.001 0.000 0.289 378 L C 0.142 177.083 176.870 0.118 0.000 1.059 378 L CA -0.483 54.355 54.840 -0.003 0.000 0.816 378 L CB -0.070 41.720 42.059 -0.447 0.000 1.191 378 L HN -0.100 nan 8.230 nan 0.000 0.431 379 E N 3.562 123.880 120.200 0.197 0.000 2.404 379 E HA 0.081 4.431 4.350 0.001 0.000 0.261 379 E C -1.448 175.263 176.600 0.186 0.000 1.074 379 E CA 0.121 56.612 56.400 0.150 0.000 0.917 379 E CB 0.716 30.514 29.700 0.163 0.000 0.965 379 E HN 0.488 nan 8.360 nan 0.000 0.433 380 Y N 0.588 120.857 120.300 -0.051 0.000 2.329 380 Y HA 0.500 5.050 4.550 0.001 0.000 0.328 380 Y C -0.535 175.354 175.900 -0.020 0.000 0.992 380 Y CA -0.978 57.123 58.100 0.001 0.000 1.151 380 Y CB 1.298 39.748 38.460 -0.017 0.000 1.150 380 Y HN 0.490 nan 8.280 nan 0.000 0.450 381 G N 3.601 112.284 108.800 -0.195 0.000 2.452 381 G HA2 0.653 4.613 3.960 0.001 0.000 0.324 381 G HA3 0.653 4.613 3.960 0.001 0.000 0.324 381 G C -1.187 173.537 174.900 -0.293 0.000 1.214 381 G CA -0.365 44.570 45.100 -0.275 0.000 0.947 381 G HN 1.220 nan 8.290 nan 0.000 0.478 382 C N -1.007 118.129 119.300 -0.273 0.000 3.321 382 C HA 0.879 5.339 4.460 0.001 0.000 0.329 382 C C -0.831 174.098 174.990 -0.101 0.000 1.394 382 C CA -1.298 57.624 59.018 -0.161 0.000 1.291 382 C CB 1.256 28.858 27.740 -0.230 0.000 1.606 382 C HN 1.299 nan 8.230 nan 0.000 0.463 383 C N 1.602 120.837 119.300 -0.108 0.000 3.113 383 C HA 0.829 5.289 4.460 0.001 0.000 0.376 383 C C 0.581 175.530 174.990 -0.068 0.000 1.077 383 C CA 1.928 60.896 59.018 -0.083 0.000 1.253 383 C CB 0.747 28.420 27.740 -0.112 0.000 1.637 383 C HN 3.174 nan 8.230 nan 0.000 0.535 384 G N 4.104 112.886 108.800 -0.030 0.000 2.527 384 G HA2 -0.079 3.882 3.960 0.001 0.000 0.227 384 G HA3 -0.079 3.882 3.960 0.001 0.000 0.227 384 G C -1.004 173.932 174.900 0.059 0.000 1.291 384 G CA -0.175 44.938 45.100 0.022 0.000 0.904 384 G HN 1.148 nan 8.290 nan 0.000 0.577 385 L N 1.299 122.597 121.223 0.125 0.000 2.375 385 L HA 0.547 4.887 4.340 0.001 0.000 0.271 385 L C 1.574 178.620 176.870 0.295 0.000 1.107 385 L CA -0.099 54.842 54.840 0.169 0.000 0.806 385 L CB 1.537 43.705 42.059 0.181 0.000 1.146 385 L HN 0.995 nan 8.230 nan 0.000 0.447 386 S N 0.145 116.009 115.700 0.274 0.000 2.584 386 S HA 0.008 4.478 4.470 0.001 0.000 0.270 386 S C 0.900 175.602 174.600 0.169 0.000 1.346 386 S CA -0.350 58.012 58.200 0.270 0.000 1.018 386 S CB 1.132 64.438 63.200 0.176 0.000 0.899 386 S HN 0.789 nan 8.310 nan 0.000 0.542 387 E N 1.271 121.516 120.200 0.075 0.000 2.038 387 E HA -0.257 4.094 4.350 0.001 0.000 0.195 387 E C 2.059 178.697 176.600 0.063 0.000 1.000 387 E CA 1.710 58.146 56.400 0.061 0.000 0.803 387 E CB -0.240 29.459 29.700 -0.001 0.000 0.750 387 E HN 0.871 nan 8.360 nan 0.000 0.448 388 E N 0.569 120.796 120.200 0.046 0.000 2.085 388 E HA -0.244 4.106 4.350 0.001 0.000 0.194 388 E C 1.883 178.512 176.600 0.048 0.000 0.994 388 E CA 1.012 57.436 56.400 0.040 0.000 0.801 388 E CB -0.294 29.424 29.700 0.031 0.000 0.743 388 E HN 0.083 nan 8.360 nan 0.000 0.453 389 K N 0.934 121.370 120.400 0.061 0.000 2.148 389 K HA 0.092 4.412 4.320 0.001 0.000 0.204 389 K C 2.132 178.768 176.600 0.061 0.000 1.050 389 K CA 1.257 57.573 56.287 0.048 0.000 0.942 389 K CB -0.618 31.913 32.500 0.052 0.000 0.724 389 K HN 0.280 nan 8.250 nan 0.000 0.446 390 A N 0.625 123.522 122.820 0.128 0.000 1.930 390 A HA -0.086 4.234 4.320 0.001 0.000 0.217 390 A C 2.437 180.146 177.584 0.208 0.000 1.175 390 A CA 1.337 53.515 52.037 0.234 0.000 0.627 390 A CB -0.498 18.654 19.000 0.254 0.000 0.815 390 A HN 0.043 nan 8.150 nan 0.000 0.443 391 V N -0.085 119.901 119.914 0.120 0.000 2.307 391 V HA -0.246 3.875 4.120 0.001 0.000 0.245 391 V C 2.502 178.626 176.094 0.050 0.000 1.045 391 V CA 2.203 64.555 62.300 0.087 0.000 1.024 391 V CB -0.676 31.178 31.823 0.052 0.000 0.651 391 V HN 0.694 nan 8.190 nan 0.000 0.449 392 E N 0.204 120.415 120.200 0.019 0.000 2.058 392 E HA -0.312 4.038 4.350 0.001 0.000 0.194 392 E C 2.322 178.880 176.600 -0.070 0.000 0.997 392 E CA 1.917 58.307 56.400 -0.017 0.000 0.801 392 E CB -0.063 29.625 29.700 -0.020 0.000 0.746 392 E HN 0.551 nan 8.360 nan 0.000 0.450 393 K N -0.793 119.523 120.400 -0.140 0.000 2.062 393 K HA -0.097 4.223 4.320 0.001 0.000 0.205 393 K C 1.406 177.720 176.600 -0.478 0.000 1.051 393 K CA 1.310 57.371 56.287 -0.377 0.000 0.941 393 K CB 0.010 32.149 32.500 -0.602 0.000 0.719 393 K HN 0.086 nan 8.250 nan 0.000 0.440 394 F N -0.078 119.883 119.950 0.018 0.000 2.706 394 F HA 0.325 4.853 4.527 0.001 0.000 0.308 394 F C 0.397 176.205 175.800 0.013 0.000 1.095 394 F CA 0.069 58.079 58.000 0.017 0.000 1.244 394 F CB 1.554 40.567 39.000 0.022 0.000 1.063 394 F HN 0.162 nan 8.300 nan 0.000 0.582 395 G N 1.500 110.386 108.800 0.143 0.000 3.019 395 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 395 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 395 G C 0.432 175.384 174.900 0.086 0.000 1.056 395 G CA -0.255 44.900 45.100 0.090 0.000 0.774 395 G HN 0.142 nan 8.290 nan 0.000 0.583 396 E N 0.693 120.924 120.200 0.053 0.000 2.065 396 E HA -0.237 4.113 4.350 0.001 0.000 0.201 396 E C 2.124 178.742 176.600 0.029 0.000 1.016 396 E CA 1.893 58.315 56.400 0.037 0.000 0.818 396 E CB 0.068 29.780 29.700 0.020 0.000 0.749 396 E HN 0.806 nan 8.360 nan 0.000 0.453 397 E N -0.095 120.121 120.200 0.026 0.000 2.502 397 E HA -0.077 4.273 4.350 0.001 0.000 0.194 397 E C 0.469 177.080 176.600 0.018 0.000 1.062 397 E CA 0.202 56.611 56.400 0.014 0.000 0.867 397 E CB -0.065 29.640 29.700 0.009 0.000 0.888 397 E HN 0.116 nan 8.360 nan 0.000 0.510 398 N N 0.539 119.262 118.700 0.038 0.000 2.236 398 N HA 0.122 4.862 4.740 0.001 0.000 0.196 398 N C -0.208 175.312 175.510 0.017 0.000 1.114 398 N CA -0.007 53.063 53.050 0.034 0.000 0.859 398 N CB 0.653 39.181 38.487 0.068 0.000 0.982 398 N HN 0.169 nan 8.380 nan 0.000 0.493 399 I N 0.984 121.571 120.570 0.028 0.000 2.392 399 I HA 0.269 4.440 4.170 0.001 0.000 0.295 399 I C 0.121 176.231 176.117 -0.011 0.000 0.985 399 I CA -0.828 60.484 61.300 0.020 0.000 1.221 399 I CB 1.528 39.561 38.000 0.055 0.000 1.366 399 I HN -0.104 nan 8.210 nan 0.000 0.467 400 E N 4.831 125.025 120.200 -0.009 0.000 2.199 400 E HA 0.543 4.894 4.350 0.001 0.000 0.265 400 E C -1.515 175.052 176.600 -0.054 0.000 0.882 400 E CA -0.455 55.902 56.400 -0.072 0.000 0.759 400 E CB 1.719 31.392 29.700 -0.045 0.000 1.148 400 E HN 0.281 nan 8.360 nan 0.000 0.412 401 V N 5.648 125.460 119.914 -0.170 0.000 2.357 401 V HA 0.341 4.462 4.120 0.001 0.000 0.284 401 V C -0.958 174.995 176.094 -0.234 0.000 1.018 401 V CA -0.700 61.530 62.300 -0.117 0.000 0.841 401 V CB 0.350 32.079 31.823 -0.158 0.000 0.991 401 V HN 0.620 nan 8.190 nan 0.000 0.437 402 Y N 4.779 125.041 120.300 -0.063 0.000 2.323 402 Y HA 0.657 5.207 4.550 0.000 0.000 0.331 402 Y C 0.627 176.524 175.900 -0.006 0.000 1.092 402 Y CA -0.461 57.622 58.100 -0.028 0.000 1.150 402 Y CB 1.062 39.515 38.460 -0.011 0.000 1.200 402 Y HN 0.844 nan 8.280 nan 0.000 0.472 403 H N -1.211 117.836 119.070 -0.038 0.000 2.990 403 H HA 0.851 5.407 4.556 0.001 0.000 0.336 403 H C -1.472 173.725 175.328 -0.218 0.000 1.306 403 H CA -1.192 54.718 56.048 -0.229 0.000 1.118 403 H CB 2.197 31.822 29.762 -0.229 0.000 1.856 403 H HN 0.528 nan 8.280 nan 0.000 0.538 404 S N 0.705 116.138 115.700 -0.445 0.000 2.565 404 S HA 0.374 4.845 4.470 0.001 0.000 0.274 404 S C -1.827 172.618 174.600 -0.260 0.000 1.144 404 S CA -0.806 57.203 58.200 -0.319 0.000 0.849 404 S CB 0.901 64.011 63.200 -0.151 0.000 1.103 404 S HN 0.474 nan 8.310 nan 0.000 0.455 405 F N 3.164 123.149 119.950 0.058 0.000 2.370 405 F HA 0.748 5.275 4.527 0.000 0.000 0.319 405 F C 0.293 176.222 175.800 0.214 0.000 1.129 405 F CA -0.259 57.817 58.000 0.127 0.000 1.109 405 F CB 1.084 40.111 39.000 0.044 0.000 1.262 405 F HN 0.614 nan 8.300 nan 0.000 0.534 406 F N -0.611 119.477 119.950 0.230 0.000 2.711 406 F HA 0.548 5.076 4.527 0.000 0.000 0.313 406 F C -2.086 173.856 175.800 0.236 0.000 1.141 406 F CA -1.689 56.406 58.000 0.158 0.000 0.941 406 F CB 1.072 40.094 39.000 0.037 0.000 1.349 406 F HN 0.376 nan 8.300 nan 0.000 0.464 407 W N 4.206 125.568 121.300 0.103 0.000 2.453 407 W HA 0.648 5.308 4.660 0.000 0.000 0.310 407 W C -2.932 173.562 176.519 -0.041 0.000 1.000 407 W CA -3.312 54.021 57.345 -0.020 0.000 1.367 407 W CB 1.054 30.555 29.460 0.068 0.000 1.269 407 W HN 0.346 nan 8.180 nan 0.000 0.418 408 P HA -0.135 nan 4.420 nan 0.000 0.261 408 P C 1.074 178.130 177.300 -0.406 0.000 1.173 408 P CA 0.119 62.979 63.100 -0.400 0.000 0.760 408 P CB 0.653 31.711 31.700 -1.071 0.000 0.783 409 L N 4.525 125.607 121.223 -0.236 0.000 2.043 409 L HA -0.236 4.104 4.340 0.001 0.000 0.212 409 L C 1.686 178.464 176.870 -0.153 0.000 1.075 409 L CA 2.042 56.748 54.840 -0.223 0.000 0.752 409 L CB -1.047 40.934 42.059 -0.129 0.000 0.891 409 L HN 0.285 nan 8.230 nan 0.000 0.432 410 E N -1.269 118.905 120.200 -0.044 0.000 2.333 410 E HA -0.236 4.115 4.350 0.001 0.000 0.200 410 E C 1.474 178.321 176.600 0.412 0.000 1.010 410 E CA 1.334 57.851 56.400 0.196 0.000 0.841 410 E CB -0.321 29.501 29.700 0.203 0.000 0.757 410 E HN 0.618 nan 8.360 nan 0.000 0.508 411 W N -0.313 120.923 121.300 -0.107 0.000 3.114 411 W HA 0.168 4.828 4.660 0.000 0.000 0.279 411 W C 1.923 178.301 176.519 -0.234 0.000 1.277 411 W CA 0.781 58.089 57.345 -0.063 0.000 1.630 411 W CB -0.845 28.655 29.460 0.066 0.000 1.087 411 W HN 0.125 nan 8.180 nan 0.000 0.637 412 T N -3.034 111.297 114.554 -0.372 0.000 2.857 412 T HA -0.110 4.240 4.350 0.001 0.000 0.266 412 T C 1.810 176.403 174.700 -0.179 0.000 1.048 412 T CA 1.389 63.133 62.100 -0.594 0.000 1.139 412 T CB -0.696 67.717 68.868 -0.758 0.000 0.874 412 T HN -0.105 nan 8.240 nan 0.000 0.455 413 V N 2.635 122.441 119.914 -0.181 0.000 2.407 413 V HA 0.048 4.169 4.120 0.001 0.000 0.245 413 V C -0.422 175.543 176.094 -0.215 0.000 1.041 413 V CA 1.135 63.255 62.300 -0.300 0.000 1.040 413 V CB -0.978 30.403 31.823 -0.736 0.000 0.671 413 V HN 0.383 nan 8.190 nan 0.000 0.455 414 P HA -0.054 nan 4.420 nan 0.000 0.225 414 P C 0.683 178.025 177.300 0.069 0.000 1.148 414 P CA 1.195 64.307 63.100 0.020 0.000 0.779 414 P CB -0.023 31.742 31.700 0.109 0.000 0.780 415 S N -0.703 115.075 115.700 0.130 0.000 3.884 415 S HA -0.153 4.317 4.470 0.001 0.000 0.374 415 S C -0.021 174.752 174.600 0.288 0.000 0.971 415 S CA 0.334 58.681 58.200 0.245 0.000 1.152 415 S CB -1.667 61.619 63.200 0.143 0.000 0.877 415 S HN 0.473 nan 8.310 nan 0.000 0.491 416 R N 0.133 120.866 120.500 0.388 0.000 2.740 416 R HA 0.717 5.058 4.340 0.001 0.000 0.273 416 R C -0.643 175.910 176.300 0.422 0.000 0.998 416 R CA -0.486 55.772 56.100 0.263 0.000 0.900 416 R CB 0.566 30.909 30.300 0.071 0.000 1.223 416 R HN 0.043 nan 8.270 nan 0.000 0.466 417 D N 0.205 120.740 120.400 0.225 0.000 2.746 417 D HA -0.170 4.471 4.640 0.001 0.000 0.236 417 D C -0.766 175.654 176.300 0.200 0.000 1.129 417 D CA 0.895 55.038 54.000 0.239 0.000 0.691 417 D CB -0.722 40.185 40.800 0.178 0.000 1.077 417 D HN 0.623 nan 8.370 nan 0.000 0.432 418 N N 1.385 119.899 118.700 -0.310 0.000 2.479 418 N HA -0.005 4.735 4.740 0.001 0.000 0.257 418 N C 0.707 175.933 175.510 -0.474 0.000 1.232 418 N CA 0.337 52.808 53.050 -0.964 0.000 0.920 418 N CB 0.292 37.959 38.487 -1.367 0.000 1.105 418 N HN 0.093 nan 8.380 nan 0.000 0.444 419 N N 0.760 119.207 118.700 -0.422 0.000 2.708 419 N HA -0.193 4.547 4.740 0.001 0.000 0.249 419 N C -0.101 175.162 175.510 -0.410 0.000 1.097 419 N CA 0.554 53.328 53.050 -0.460 0.000 0.710 419 N CB -0.281 37.811 38.487 -0.658 0.000 1.032 419 N HN 0.647 nan 8.380 nan 0.000 0.551 420 K N -0.687 119.668 120.400 -0.075 0.000 2.306 420 K HA 0.187 4.508 4.320 0.001 0.000 0.200 420 K C 0.874 177.563 176.600 0.149 0.000 1.083 420 K CA 0.360 56.695 56.287 0.080 0.000 0.959 420 K CB 0.066 32.707 32.500 0.234 0.000 0.994 420 K HN 0.214 nan 8.250 nan 0.000 0.492 421 C N 2.216 121.494 119.300 -0.038 0.000 2.644 421 C HA 0.299 4.759 4.460 0.001 0.000 0.417 421 C C 0.166 175.033 174.990 -0.205 0.000 1.304 421 C CA -0.481 58.308 59.018 -0.383 0.000 2.035 421 C CB -1.252 25.688 27.740 -1.334 0.000 2.673 421 C HN 0.387 nan 8.230 nan 0.000 0.602 422 Y N 1.026 121.248 120.300 -0.129 0.000 2.513 422 Y HA 0.624 5.175 4.550 0.000 0.000 0.340 422 Y C -0.556 175.427 175.900 0.137 0.000 1.055 422 Y CA -0.569 57.519 58.100 -0.019 0.000 1.020 422 Y CB 1.098 39.465 38.460 -0.155 0.000 1.301 422 Y HN 0.849 nan 8.280 nan 0.000 0.453 423 A N 5.441 127.903 122.820 -0.596 0.000 2.393 423 A HA 0.826 5.146 4.320 0.001 0.000 0.306 423 A C -1.679 175.396 177.584 -0.848 0.000 1.050 423 A CA -0.852 50.796 52.037 -0.650 0.000 0.724 423 A CB 1.259 19.682 19.000 -0.961 0.000 1.248 423 A HN 0.738 nan 8.150 nan 0.000 0.424 424 K N 0.048 120.177 120.400 -0.451 0.000 2.498 424 K HA 0.763 5.084 4.320 0.001 0.000 0.254 424 K C -0.999 175.616 176.600 0.025 0.000 0.933 424 K CA -0.765 55.399 56.287 -0.205 0.000 0.806 424 K CB 2.091 34.510 32.500 -0.134 0.000 1.301 424 K HN 0.996 nan 8.250 nan 0.000 0.432 425 V N -0.238 119.731 119.914 0.091 0.000 2.628 425 V HA 0.668 4.788 4.120 0.001 0.000 0.306 425 V C -0.572 175.628 176.094 0.176 0.000 1.045 425 V CA -0.902 61.483 62.300 0.143 0.000 0.905 425 V CB 1.217 33.123 31.823 0.139 0.000 0.997 425 V HN 0.832 nan 8.190 nan 0.000 0.436 426 I N 3.445 124.120 120.570 0.174 0.000 2.362 426 I HA 0.533 4.703 4.170 0.001 0.000 0.289 426 I C -0.386 175.801 176.117 0.117 0.000 0.994 426 I CA -0.025 61.367 61.300 0.153 0.000 1.158 426 I CB 1.387 39.493 38.000 0.175 0.000 1.315 426 I HN 0.689 nan 8.210 nan 0.000 0.451 427 C N 4.555 123.920 119.300 0.110 0.000 2.493 427 C HA 0.329 4.789 4.460 0.001 0.000 0.326 427 C C 0.382 175.354 174.990 -0.030 0.000 1.200 427 C CA -0.891 58.160 59.018 0.056 0.000 1.739 427 C CB 1.203 29.023 27.740 0.135 0.000 2.300 427 C HN 0.739 nan 8.230 nan 0.000 0.500 428 N N 1.910 120.527 118.700 -0.139 0.000 2.462 428 N HA 0.255 4.995 4.740 0.001 0.000 0.242 428 N C 0.735 176.158 175.510 -0.145 0.000 1.010 428 N CA -0.486 52.403 53.050 -0.269 0.000 0.939 428 N CB 0.521 38.655 38.487 -0.588 0.000 1.127 428 N HN 0.654 nan 8.380 nan 0.000 0.509 429 L N 3.035 124.209 121.223 -0.081 0.000 2.265 429 L HA -0.088 4.253 4.340 0.001 0.000 0.215 429 L C 2.023 178.870 176.870 -0.039 0.000 1.117 429 L CA 0.763 55.583 54.840 -0.033 0.000 0.782 429 L CB -0.140 41.913 42.059 -0.009 0.000 0.914 429 L HN 0.524 nan 8.230 nan 0.000 0.441 430 K N -0.577 119.785 120.400 -0.062 0.000 2.525 430 K HA -0.028 4.293 4.320 0.001 0.000 0.192 430 K C 0.171 176.743 176.600 -0.047 0.000 1.029 430 K CA 0.578 56.843 56.287 -0.037 0.000 1.029 430 K CB -0.009 32.486 32.500 -0.009 0.000 0.814 430 K HN 0.120 nan 8.250 nan 0.000 0.503 431 D N 0.591 120.945 120.400 -0.078 0.000 2.952 431 D HA 0.089 4.729 4.640 0.001 0.000 0.373 431 D C -0.751 175.517 176.300 -0.054 0.000 1.360 431 D CA -0.187 53.770 54.000 -0.070 0.000 0.788 431 D CB -0.356 40.374 40.800 -0.117 0.000 1.192 431 D HN -0.036 nan 8.370 nan 0.000 0.462 432 N N 1.742 120.421 118.700 -0.034 0.000 2.725 432 N HA -0.236 4.505 4.740 0.001 0.000 0.249 432 N C -0.751 174.744 175.510 -0.024 0.000 1.103 432 N CA 1.167 54.203 53.050 -0.023 0.000 0.707 432 N CB -1.101 37.374 38.487 -0.019 0.000 1.043 432 N HN 0.623 nan 8.380 nan 0.000 0.553 433 E N -1.922 118.260 120.200 -0.029 0.000 2.271 433 E HA -0.274 4.076 4.350 0.001 0.000 0.223 433 E C 0.106 176.685 176.600 -0.035 0.000 1.223 433 E CA 0.534 56.923 56.400 -0.018 0.000 0.704 433 E CB -0.681 29.031 29.700 0.020 0.000 1.194 433 E HN 0.379 nan 8.360 nan 0.000 0.375 434 R N 0.466 120.927 120.500 -0.065 0.000 2.522 434 R HA 0.093 4.434 4.340 0.001 0.000 0.284 434 R C -0.357 175.917 176.300 -0.043 0.000 1.032 434 R CA 0.101 56.166 56.100 -0.059 0.000 1.049 434 R CB 0.675 30.923 30.300 -0.088 0.000 0.956 434 R HN 0.066 nan 8.270 nan 0.000 0.422 435 V N 7.224 127.134 119.914 -0.008 0.000 2.421 435 V HA 0.006 4.126 4.120 0.001 0.000 0.271 435 V C 1.067 177.180 176.094 0.033 0.000 1.031 435 V CA 0.353 62.670 62.300 0.028 0.000 1.032 435 V CB 0.826 32.682 31.823 0.055 0.000 1.009 435 V HN 0.801 nan 8.190 nan 0.000 0.477 436 V N 2.042 121.984 119.914 0.047 0.000 3.578 436 V HA 0.700 4.820 4.120 0.001 0.000 0.290 436 V C 0.680 176.846 176.094 0.120 0.000 1.376 436 V CA 0.600 62.947 62.300 0.078 0.000 1.083 436 V CB 0.204 32.080 31.823 0.089 0.000 0.911 436 V HN 0.834 nan 8.190 nan 0.000 0.433 437 G N -0.096 108.781 108.800 0.129 0.000 2.755 437 G HA2 0.583 4.544 3.960 0.001 0.000 0.297 437 G HA3 0.583 4.544 3.960 0.001 0.000 0.297 437 G C -2.023 172.960 174.900 0.140 0.000 1.441 437 G CA -0.549 44.634 45.100 0.138 0.000 0.964 437 G HN 0.313 nan 8.290 nan 0.000 0.540 438 F N 1.920 121.718 119.950 -0.252 0.000 2.557 438 F HA 0.739 5.266 4.527 0.001 0.000 0.316 438 F C -1.252 174.280 175.800 -0.447 0.000 1.141 438 F CA -0.710 57.136 58.000 -0.256 0.000 0.922 438 F CB 1.884 40.694 39.000 -0.317 0.000 1.194 438 F HN 0.566 nan 8.300 nan 0.000 0.443 439 H N 4.224 123.054 119.070 -0.400 0.000 2.856 439 H HA 0.691 5.247 4.556 0.001 0.000 0.355 439 H C -1.459 173.838 175.328 -0.051 0.000 1.079 439 H CA -0.921 55.102 56.048 -0.040 0.000 1.240 439 H CB 2.234 32.126 29.762 0.218 0.000 1.701 439 H HN 0.568 nan 8.280 nan 0.000 0.527 440 V N 4.146 124.220 119.914 0.268 0.000 2.760 440 V HA 0.521 4.641 4.120 0.001 0.000 0.309 440 V C -1.718 174.645 176.094 0.449 0.000 1.077 440 V CA -0.765 61.734 62.300 0.333 0.000 0.910 440 V CB 2.019 34.070 31.823 0.380 0.000 1.008 440 V HN 0.593 nan 8.190 nan 0.000 0.424 441 L N 6.469 127.931 121.223 0.399 0.000 2.342 441 L HA 1.045 5.385 4.340 0.001 0.000 0.276 441 L C 0.017 177.033 176.870 0.244 0.000 0.997 441 L CA 1.077 56.109 54.840 0.320 0.000 0.838 441 L CB 1.144 43.349 42.059 0.244 0.000 1.224 441 L HN 1.089 nan 8.230 nan 0.000 0.416 442 G N 4.197 113.141 108.800 0.241 0.000 2.313 442 G HA2 0.294 4.255 3.960 0.001 0.000 0.296 442 G HA3 0.294 4.255 3.960 0.001 0.000 0.296 442 G C -3.395 171.655 174.900 0.249 0.000 1.356 442 G CA -0.733 44.488 45.100 0.201 0.000 0.833 442 G HN 0.342 nan 8.290 nan 0.000 0.552 443 P HA 0.175 nan 4.420 nan 0.000 0.271 443 P C -0.165 177.277 177.300 0.237 0.000 1.218 443 P CA 0.152 63.411 63.100 0.264 0.000 0.780 443 P CB 0.374 32.215 31.700 0.235 0.000 0.901 444 N N 0.219 119.070 118.700 0.251 0.000 2.735 444 N HA -0.233 4.507 4.740 0.001 0.000 0.248 444 N C 1.106 176.743 175.510 0.212 0.000 1.083 444 N CA 0.984 54.169 53.050 0.225 0.000 0.703 444 N CB -1.809 36.781 38.487 0.172 0.000 1.005 444 N HN 0.599 nan 8.380 nan 0.000 0.550 445 A N 0.167 123.114 122.820 0.211 0.000 1.948 445 A HA -0.044 4.276 4.320 0.001 0.000 0.220 445 A C 2.320 179.982 177.584 0.130 0.000 1.177 445 A CA 2.276 54.422 52.037 0.182 0.000 0.636 445 A CB -0.830 18.252 19.000 0.136 0.000 0.815 445 A HN 0.554 nan 8.150 nan 0.000 0.449 446 G N -0.406 108.458 108.800 0.106 0.000 2.421 446 G HA2 -0.187 3.773 3.960 0.001 0.000 0.216 446 G HA3 -0.187 3.773 3.960 0.001 0.000 0.216 446 G C 1.361 176.322 174.900 0.101 0.000 1.171 446 G CA 0.955 46.110 45.100 0.091 0.000 0.775 446 G HN 0.521 nan 8.290 nan 0.000 0.543 447 E N 0.612 120.888 120.200 0.126 0.000 2.077 447 E HA -0.102 4.248 4.350 0.001 0.000 0.193 447 E C 2.866 179.519 176.600 0.088 0.000 0.989 447 E CA 0.942 57.397 56.400 0.091 0.000 0.800 447 E CB -0.770 28.986 29.700 0.094 0.000 0.746 447 E HN 0.332 nan 8.360 nan 0.000 0.452 448 V N 1.535 121.539 119.914 0.149 0.000 2.343 448 V HA -0.229 3.892 4.120 0.001 0.000 0.247 448 V C 2.382 178.599 176.094 0.204 0.000 1.051 448 V CA 2.223 64.656 62.300 0.223 0.000 1.036 448 V CB -0.945 31.071 31.823 0.322 0.000 0.654 448 V HN 0.276 nan 8.190 nan 0.000 0.451 449 T N -0.887 113.746 114.554 0.131 0.000 2.857 449 T HA -0.211 4.139 4.350 0.001 0.000 0.266 449 T C 1.907 176.522 174.700 -0.141 0.000 1.048 449 T CA 1.512 63.605 62.100 -0.011 0.000 1.139 449 T CB -0.218 68.672 68.868 0.035 0.000 0.874 449 T HN 0.427 nan 8.240 nan 0.000 0.455 450 Q N 1.477 121.231 119.800 -0.077 0.000 2.045 450 Q HA -0.077 4.264 4.340 0.001 0.000 0.206 450 Q C 2.419 178.315 176.000 -0.174 0.000 0.991 450 Q CA 2.298 58.038 55.803 -0.106 0.000 0.851 450 Q CB -1.099 27.602 28.738 -0.062 0.000 0.911 450 Q HN 0.499 nan 8.270 nan 0.000 0.418 451 G N -1.143 107.531 108.800 -0.210 0.000 2.418 451 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 451 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 451 G C 1.072 175.693 174.900 -0.464 0.000 1.158 451 G CA 0.812 45.712 45.100 -0.334 0.000 0.771 451 G HN 0.408 nan 8.290 nan 0.000 0.545 452 F N 1.668 121.333 119.950 -0.475 0.000 2.234 452 F HA 0.132 4.660 4.527 0.001 0.000 0.299 452 F C 2.964 178.433 175.800 -0.552 0.000 1.087 452 F CA 0.688 58.287 58.000 -0.668 0.000 1.340 452 F CB -0.220 37.936 39.000 -1.407 0.000 1.031 452 F HN 0.233 nan 8.300 nan 0.000 0.500 453 A N 0.107 122.735 122.820 -0.320 0.000 1.933 453 A HA -0.103 4.217 4.320 0.001 0.000 0.218 453 A C 2.439 179.921 177.584 -0.170 0.000 1.175 453 A CA 1.720 53.622 52.037 -0.225 0.000 0.628 453 A CB -1.224 17.668 19.000 -0.181 0.000 0.814 453 A HN 0.301 nan 8.150 nan 0.000 0.444 454 A N -0.114 122.597 122.820 -0.181 0.000 1.902 454 A HA 0.151 4.472 4.320 0.001 0.000 0.217 454 A C 2.500 180.001 177.584 -0.138 0.000 1.181 454 A CA 2.079 54.027 52.037 -0.149 0.000 0.623 454 A CB -1.005 17.901 19.000 -0.157 0.000 0.818 454 A HN 1.080 nan 8.150 nan 0.000 0.443 455 A N -0.828 121.890 122.820 -0.169 0.000 1.933 455 A HA 0.008 4.328 4.320 0.001 0.000 0.218 455 A C 2.028 179.565 177.584 -0.078 0.000 1.175 455 A CA 1.589 53.552 52.037 -0.124 0.000 0.628 455 A CB -0.511 18.410 19.000 -0.132 0.000 0.814 455 A HN 0.402 nan 8.150 nan 0.000 0.444 456 L N -0.105 121.067 121.223 -0.085 0.000 2.046 456 L HA -0.159 4.181 4.340 0.001 0.000 0.208 456 L C 2.352 179.195 176.870 -0.045 0.000 1.077 456 L CA 1.662 56.469 54.840 -0.055 0.000 0.747 456 L CB -0.351 41.670 42.059 -0.063 0.000 0.896 456 L HN 0.206 nan 8.230 nan 0.000 0.432 457 K N -0.875 119.490 120.400 -0.058 0.000 2.281 457 K HA -0.105 4.215 4.320 0.001 0.000 0.203 457 K C 1.590 178.166 176.600 -0.040 0.000 1.046 457 K CA 1.267 57.525 56.287 -0.047 0.000 0.938 457 K CB -0.564 31.901 32.500 -0.058 0.000 0.737 457 K HN 0.418 nan 8.250 nan 0.000 0.458 458 C N 0.488 119.760 119.300 -0.046 0.000 2.614 458 C HA 0.298 4.758 4.460 0.001 0.000 0.299 458 C C 1.123 176.096 174.990 -0.028 0.000 1.293 458 C CA -0.380 58.615 59.018 -0.038 0.000 1.713 458 C CB -1.018 26.694 27.740 -0.047 0.000 1.890 458 C HN 0.588 nan 8.230 nan 0.000 0.602 459 G N 1.610 110.396 108.800 -0.023 0.000 2.295 459 G HA2 -0.261 3.699 3.960 0.001 0.000 0.287 459 G HA3 -0.261 3.699 3.960 0.001 0.000 0.287 459 G C -0.045 174.845 174.900 -0.017 0.000 1.055 459 G CA 0.208 45.299 45.100 -0.016 0.000 0.922 459 G HN 0.676 nan 8.290 nan 0.000 0.503 460 L N 1.910 123.123 121.223 -0.016 0.000 2.667 460 L HA 0.452 4.793 4.340 0.001 0.000 0.278 460 L C 1.192 178.059 176.870 -0.005 0.000 1.217 460 L CA 1.126 55.962 54.840 -0.007 0.000 0.935 460 L CB 0.175 42.240 42.059 0.010 0.000 1.193 460 L HN 0.623 nan 8.230 nan 0.000 0.493 461 T N 1.212 115.760 114.554 -0.011 0.000 2.943 461 T HA 0.334 4.685 4.350 0.001 0.000 0.284 461 T C 0.928 175.612 174.700 -0.027 0.000 1.015 461 T CA -0.455 61.633 62.100 -0.019 0.000 1.042 461 T CB 1.511 70.366 68.868 -0.022 0.000 1.055 461 T HN 0.630 nan 8.240 nan 0.000 0.500 462 K N 0.859 121.228 120.400 -0.051 0.000 2.113 462 K HA -0.224 4.096 4.320 0.001 0.000 0.208 462 K C 2.385 178.926 176.600 -0.098 0.000 1.047 462 K CA 2.333 58.553 56.287 -0.113 0.000 0.928 462 K CB -0.523 31.868 32.500 -0.181 0.000 0.716 462 K HN 0.864 nan 8.250 nan 0.000 0.446 463 Q N -0.374 119.390 119.800 -0.059 0.000 2.172 463 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 463 Q C 1.954 177.937 176.000 -0.028 0.000 0.964 463 Q CA 1.099 56.877 55.803 -0.043 0.000 0.855 463 Q CB -0.270 28.453 28.738 -0.026 0.000 0.918 463 Q HN 0.424 nan 8.270 nan 0.000 0.444 464 Q N 0.437 120.224 119.800 -0.021 0.000 2.084 464 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 464 Q C 2.161 178.162 176.000 0.001 0.000 0.978 464 Q CA 1.377 57.173 55.803 -0.011 0.000 0.844 464 Q CB -0.135 28.596 28.738 -0.011 0.000 0.898 464 Q HN 0.335 nan 8.270 nan 0.000 0.426 465 L N 1.510 122.739 121.223 0.010 0.000 2.012 465 L HA -0.214 4.127 4.340 0.001 0.000 0.210 465 L C 1.407 178.296 176.870 0.030 0.000 1.073 465 L CA 1.990 56.859 54.840 0.049 0.000 0.748 465 L CB -0.527 41.562 42.059 0.050 0.000 0.891 465 L HN 0.124 nan 8.230 nan 0.000 0.431 466 D N -1.208 119.182 120.400 -0.017 0.000 2.264 466 D HA -0.096 4.544 4.640 0.001 0.000 0.208 466 D C 2.303 178.599 176.300 -0.006 0.000 0.966 466 D CA 1.253 55.240 54.000 -0.022 0.000 0.864 466 D CB 0.006 40.776 40.800 -0.051 0.000 0.933 466 D HN 0.583 nan 8.370 nan 0.000 0.499 467 S N -0.926 114.771 115.700 -0.004 0.000 2.528 467 S HA 0.009 4.480 4.470 0.001 0.000 0.219 467 S C 0.989 175.590 174.600 0.001 0.000 0.985 467 S CA -0.134 58.064 58.200 -0.004 0.000 0.914 467 S CB -0.130 63.065 63.200 -0.008 0.000 0.776 467 S HN -0.094 nan 8.310 nan 0.000 0.526 468 T N 4.796 119.357 114.554 0.011 0.000 2.834 468 T HA 0.329 4.680 4.350 0.001 0.000 0.298 468 T C 0.089 174.803 174.700 0.023 0.000 0.966 468 T CA -0.289 61.819 62.100 0.014 0.000 1.141 468 T CB 0.256 69.141 68.868 0.028 0.000 0.905 468 T HN 0.182 nan 8.240 nan 0.000 0.535 469 I N 3.223 123.800 120.570 0.012 0.000 2.441 469 I HA 0.261 4.431 4.170 0.001 0.000 0.287 469 I C 1.377 177.511 176.117 0.029 0.000 1.049 469 I CA -0.411 60.898 61.300 0.015 0.000 1.381 469 I CB 0.259 38.262 38.000 0.005 0.000 1.409 469 I HN 0.676 nan 8.210 nan 0.000 0.523 470 G N 6.419 115.242 108.800 0.038 0.000 2.636 470 G HA2 0.454 4.414 3.960 0.001 0.000 0.246 470 G HA3 0.454 4.414 3.960 0.001 0.000 0.246 470 G C -0.148 174.788 174.900 0.060 0.000 1.216 470 G CA -0.545 44.590 45.100 0.059 0.000 0.854 470 G HN 0.541 nan 8.290 nan 0.000 0.572 471 I N 0.074 120.688 120.570 0.073 0.000 2.385 471 I HA 0.262 4.432 4.170 0.001 0.000 0.294 471 I C -0.206 175.990 176.117 0.132 0.000 0.988 471 I CA -0.668 60.678 61.300 0.077 0.000 1.265 471 I CB 1.680 39.707 38.000 0.045 0.000 1.388 471 I HN 0.491 nan 8.210 nan 0.000 0.480 472 H N 6.786 125.860 119.070 0.006 0.000 2.538 472 H HA 0.594 5.150 4.556 0.001 0.000 0.353 472 H C -2.547 172.784 175.328 0.006 0.000 1.109 472 H CA -1.947 54.105 56.048 0.006 0.000 1.192 472 H CB 1.694 31.460 29.762 0.007 0.000 1.555 472 H HN 0.300 nan 8.280 nan 0.000 0.518 473 P HA 0.373 nan 4.420 nan 0.000 0.300 473 P C -1.469 175.748 177.300 -0.139 0.000 1.375 473 P CA -0.596 62.231 63.100 -0.456 0.000 0.864 473 P CB 1.387 32.713 31.700 -0.624 0.000 0.958 474 V N 2.862 122.759 119.914 -0.028 0.000 2.808 474 V HA 0.056 4.177 4.120 0.001 0.000 0.308 474 V C 1.250 177.344 176.094 -0.001 0.000 1.099 474 V CA -0.514 61.784 62.300 -0.003 0.000 0.920 474 V CB 1.828 33.664 31.823 0.021 0.000 1.014 474 V HN 0.668 nan 8.190 nan 0.000 0.425 475 C N 2.884 122.180 119.300 -0.008 0.000 2.385 475 C HA -0.223 4.237 4.460 0.001 0.000 0.275 475 C C 2.834 177.697 174.990 -0.212 0.000 1.207 475 C CA 1.787 60.747 59.018 -0.097 0.000 1.760 475 C CB -1.080 26.699 27.740 0.066 0.000 2.051 475 C HN 1.055 nan 8.230 nan 0.000 0.467 476 A N 1.268 124.096 122.820 0.012 0.000 2.032 476 A HA -0.264 4.056 4.320 0.001 0.000 0.221 476 A C 2.094 179.783 177.584 0.175 0.000 1.165 476 A CA 2.066 54.216 52.037 0.189 0.000 0.645 476 A CB -0.810 18.362 19.000 0.287 0.000 0.807 476 A HN 0.868 nan 8.150 nan 0.000 0.453 477 E N -0.364 119.874 120.200 0.063 0.000 2.267 477 E HA -0.225 4.126 4.350 0.001 0.000 0.197 477 E C 1.655 178.243 176.600 -0.019 0.000 0.998 477 E CA 1.282 57.722 56.400 0.067 0.000 0.830 477 E CB -0.531 29.212 29.700 0.072 0.000 0.751 477 E HN 0.468 nan 8.360 nan 0.000 0.491 478 I N 0.832 121.275 120.570 -0.211 0.000 2.315 478 I HA -0.256 3.914 4.170 0.001 0.000 0.251 478 I C 1.571 177.478 176.117 -0.350 0.000 1.125 478 I CA 1.241 62.312 61.300 -0.381 0.000 1.392 478 I CB -0.349 37.171 38.000 -0.800 0.000 1.065 478 I HN 0.085 nan 8.210 nan 0.000 0.424 479 F N 0.255 120.104 119.950 -0.169 0.000 2.502 479 F HA -0.112 4.416 4.527 0.001 0.000 0.298 479 F C 2.524 178.293 175.800 -0.052 0.000 1.111 479 F CA 1.469 59.372 58.000 -0.162 0.000 1.445 479 F CB -1.036 37.797 39.000 -0.278 0.000 1.081 479 F HN 0.224 nan 8.300 nan 0.000 0.558 480 T N -4.362 110.285 114.554 0.155 0.000 3.113 480 T HA -0.019 4.331 4.350 0.001 0.000 0.256 480 T C 1.218 175.932 174.700 0.024 0.000 1.131 480 T CA 1.099 63.264 62.100 0.107 0.000 1.074 480 T CB -0.598 68.331 68.868 0.101 0.000 0.944 480 T HN 0.238 nan 8.240 nan 0.000 0.516 481 T N -0.354 114.190 114.554 -0.017 0.000 3.393 481 T HA 0.444 4.795 4.350 0.001 0.000 0.298 481 T C 0.110 174.790 174.700 -0.034 0.000 1.004 481 T CA -0.646 61.437 62.100 -0.027 0.000 0.956 481 T CB -0.644 68.209 68.868 -0.025 0.000 1.182 481 T HN 0.307 nan 8.240 nan 0.000 0.497 482 L N 3.086 124.278 121.223 -0.052 0.000 2.485 482 L HA 0.332 4.673 4.340 0.001 0.000 0.279 482 L C 1.304 178.242 176.870 0.113 0.000 1.124 482 L CA -0.263 54.576 54.840 -0.003 0.000 0.888 482 L CB 0.496 42.542 42.059 -0.021 0.000 1.217 482 L HN 0.493 nan 8.230 nan 0.000 0.464 483 S N 0.979 116.774 115.700 0.158 0.000 2.632 483 S HA 0.168 4.638 4.470 0.001 0.000 0.237 483 S C 0.261 174.987 174.600 0.210 0.000 1.037 483 S CA -0.418 57.909 58.200 0.212 0.000 1.009 483 S CB 0.517 63.780 63.200 0.105 0.000 0.974 483 S HN 0.227 nan 8.310 nan 0.000 0.544 484 V N 4.063 124.080 119.914 0.171 0.000 2.370 484 V HA 0.513 4.633 4.120 0.001 0.000 0.279 484 V C 0.541 176.678 176.094 0.071 0.000 1.029 484 V CA -0.366 62.000 62.300 0.110 0.000 0.870 484 V CB 0.930 32.818 31.823 0.108 0.000 0.984 484 V HN 0.607 nan 8.190 nan 0.000 0.451 485 T N 1.375 115.865 114.554 -0.107 0.000 2.918 485 T HA 0.360 4.710 4.350 0.001 0.000 0.283 485 T C 0.929 175.506 174.700 -0.205 0.000 1.001 485 T CA -0.637 61.281 62.100 -0.302 0.000 1.041 485 T CB 1.694 70.293 68.868 -0.447 0.000 1.028 485 T HN 0.524 nan 8.240 nan 0.000 0.511 486 K N 0.273 120.445 120.400 -0.381 0.000 2.057 486 K HA -0.083 4.237 4.320 0.001 0.000 0.207 486 K C 2.560 179.067 176.600 -0.154 0.000 1.049 486 K CA 1.082 57.168 56.287 -0.335 0.000 0.931 486 K CB -0.124 32.134 32.500 -0.402 0.000 0.714 486 K HN 0.677 nan 8.250 nan 0.000 0.440 487 R N 0.410 120.814 120.500 -0.160 0.000 2.091 487 R HA -0.151 4.189 4.340 0.001 0.000 0.238 487 R C 2.140 178.397 176.300 -0.071 0.000 1.136 487 R CA 2.125 58.162 56.100 -0.104 0.000 0.959 487 R CB -0.335 29.899 30.300 -0.111 0.000 0.856 487 R HN 0.286 nan 8.270 nan 0.000 0.437 488 S N -0.943 114.710 115.700 -0.078 0.000 2.442 488 S HA -0.015 4.455 4.470 0.001 0.000 0.236 488 S C 1.563 176.156 174.600 -0.011 0.000 1.007 488 S CA 1.031 59.207 58.200 -0.040 0.000 0.965 488 S CB -0.293 62.885 63.200 -0.037 0.000 0.773 488 S HN 0.690 nan 8.310 nan 0.000 0.504 489 G N 0.709 109.509 108.800 -0.001 0.000 2.196 489 G HA2 -0.175 3.786 3.960 0.001 0.000 0.268 489 G HA3 -0.175 3.786 3.960 0.001 0.000 0.268 489 G C 0.521 175.448 174.900 0.046 0.000 0.975 489 G CA 0.261 45.376 45.100 0.025 0.000 0.648 489 G HN 1.218 nan 8.290 nan 0.000 0.538 490 G N -0.183 108.648 108.800 0.051 0.000 2.559 490 G HA2 0.381 4.342 3.960 0.001 0.000 0.235 490 G HA3 0.381 4.342 3.960 0.001 0.000 0.235 490 G C 0.049 174.993 174.900 0.072 0.000 1.266 490 G CA 0.629 45.762 45.100 0.055 0.000 0.847 490 G HN 0.612 nan 8.290 nan 0.000 0.583 491 D N -0.450 119.983 120.400 0.055 0.000 2.382 491 D HA 0.206 4.846 4.640 0.001 0.000 0.245 491 D C 1.310 177.646 176.300 0.059 0.000 1.120 491 D CA -0.172 53.863 54.000 0.058 0.000 0.890 491 D CB 0.564 41.389 40.800 0.042 0.000 1.201 491 D HN 0.320 nan 8.370 nan 0.000 0.433 492 I N 0.303 120.917 120.570 0.074 0.000 4.050 492 I HA 0.264 4.435 4.170 0.001 0.000 0.327 492 I C -0.516 175.731 176.117 0.217 0.000 1.473 492 I CA -0.573 60.771 61.300 0.073 0.000 1.124 492 I CB -0.044 37.875 38.000 -0.135 0.000 1.129 492 I HN 0.106 nan 8.210 nan 0.000 0.428 493 L N 2.578 123.895 121.223 0.156 0.000 2.349 493 L HA 0.343 4.683 4.340 0.001 0.000 0.275 493 L C 0.465 177.367 176.870 0.052 0.000 1.115 493 L CA -0.384 54.505 54.840 0.081 0.000 0.820 493 L CB 0.395 42.435 42.059 -0.032 0.000 1.135 493 L HN 0.241 nan 8.230 nan 0.000 0.445 494 Q N 2.075 121.897 119.800 0.037 0.000 2.443 494 Q HA 0.335 4.675 4.340 0.001 0.000 0.232 494 Q C -0.003 175.982 176.000 -0.026 0.000 1.026 494 Q CA -0.106 55.720 55.803 0.038 0.000 0.924 494 Q CB 1.471 30.260 28.738 0.085 0.000 1.256 494 Q HN 0.710 nan 8.270 nan 0.000 0.519 495 S N -1.454 114.250 115.700 0.007 0.000 2.616 495 S HA 0.522 4.992 4.470 0.001 0.000 0.276 495 S C -0.393 174.257 174.600 0.083 0.000 1.159 495 S CA 0.129 58.378 58.200 0.081 0.000 1.000 495 S CB 0.777 64.055 63.200 0.131 0.000 1.117 495 S HN 1.152 nan 8.310 nan 0.000 0.464 496 G N 1.842 110.692 108.800 0.085 0.000 2.858 496 G HA2 0.220 4.180 3.960 0.001 0.000 0.266 496 G HA3 0.220 4.180 3.960 0.001 0.000 0.266 496 G C 0.406 175.374 174.900 0.113 0.000 1.023 496 G CA -0.164 44.988 45.100 0.086 0.000 1.172 496 G HN 2.268 nan 8.290 nan 0.000 0.523 499 G N 0.000 108.807 108.800 0.012 0.000 5.446 499 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 499 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 499 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925