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 2ck3_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.294 176.300 -0.010 0.000 2.045 24 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 24 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 25 L N 2.732 123.942 121.223 -0.022 0.000 2.858 25 L HA 0.260 4.600 4.340 -0.000 0.000 0.251 25 L C 1.841 178.669 176.870 -0.071 0.000 1.149 25 L CA -0.064 54.744 54.840 -0.053 0.000 0.955 25 L CB 0.496 42.514 42.059 -0.067 0.000 1.289 25 L HN 0.345 nan 8.230 nan 0.000 0.542 26 E N 0.332 120.502 120.200 -0.049 0.000 2.075 26 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 26 E C 1.104 177.675 176.600 -0.050 0.000 0.969 26 E CA 0.731 57.102 56.400 -0.048 0.000 0.815 26 E CB 0.430 30.109 29.700 -0.035 0.000 0.776 26 E HN 0.299 nan 8.360 nan 0.000 0.457 27 E N 0.176 120.349 120.200 -0.044 0.000 2.526 27 E HA 0.057 4.407 4.350 -0.000 0.000 0.208 27 E C 0.425 176.993 176.600 -0.053 0.000 0.997 27 E CA 0.355 56.728 56.400 -0.046 0.000 0.961 27 E CB 1.175 30.853 29.700 -0.037 0.000 1.030 27 E HN 0.204 nan 8.360 nan 0.000 0.483 28 T N -2.329 112.195 114.554 -0.050 0.000 2.887 28 T HA 0.802 5.152 4.350 -0.000 0.000 0.292 28 T C 0.270 174.940 174.700 -0.051 0.000 1.087 28 T CA -0.638 61.432 62.100 -0.050 0.000 1.009 28 T CB 2.550 71.400 68.868 -0.030 0.000 1.203 28 T HN 0.003 nan 8.240 nan 0.000 0.518 29 G N -0.147 108.628 108.800 -0.041 0.000 2.687 29 G HA2 0.696 4.656 3.960 -0.000 0.000 0.291 29 G HA3 0.696 4.656 3.960 -0.000 0.000 0.291 29 G C -1.765 173.151 174.900 0.028 0.000 1.420 29 G CA -1.129 43.961 45.100 -0.018 0.000 0.796 29 G HN 0.783 nan 8.290 nan 0.000 0.485 30 R N -0.486 120.063 120.500 0.081 0.000 2.628 30 R HA 0.507 4.847 4.340 -0.000 0.000 0.288 30 R C -0.794 175.573 176.300 0.112 0.000 0.980 30 R CA -0.730 55.427 56.100 0.095 0.000 0.891 30 R CB 2.651 33.010 30.300 0.099 0.000 1.188 30 R HN 0.339 nan 8.270 nan 0.000 0.450 31 V N 5.417 125.402 119.914 0.118 0.000 2.493 31 V HA -0.045 4.075 4.120 -0.000 0.000 0.292 31 V C 1.467 177.615 176.094 0.090 0.000 1.016 31 V CA 0.615 62.993 62.300 0.130 0.000 1.097 31 V CB 0.579 32.498 31.823 0.161 0.000 0.947 31 V HN 0.748 nan 8.190 nan 0.000 0.479 32 L N 3.929 125.204 121.223 0.085 0.000 2.168 32 L HA 0.133 4.473 4.340 -0.000 0.000 0.203 32 L C 0.960 177.855 176.870 0.041 0.000 1.078 32 L CA 0.907 55.780 54.840 0.054 0.000 0.780 32 L CB 0.088 42.181 42.059 0.057 0.000 0.939 32 L HN 0.832 nan 8.230 nan 0.000 0.451 33 S N -1.018 114.711 115.700 0.049 0.000 2.550 33 S HA 0.649 5.119 4.470 -0.000 0.000 0.270 33 S C -1.048 173.575 174.600 0.038 0.000 1.145 33 S CA -0.764 57.456 58.200 0.033 0.000 0.852 33 S CB 2.704 65.918 63.200 0.024 0.000 1.119 33 S HN 0.032 nan 8.310 nan 0.000 0.465 34 I N 0.496 121.076 120.570 0.017 0.000 2.607 34 I HA 0.864 5.034 4.170 -0.000 0.000 0.290 34 I C -0.451 175.659 176.117 -0.012 0.000 1.129 34 I CA 0.334 61.635 61.300 0.001 0.000 1.042 34 I CB 1.600 39.586 38.000 -0.024 0.000 1.242 34 I HN 1.316 nan 8.210 nan 0.000 0.421 35 G N 4.424 113.215 108.800 -0.015 0.000 2.596 35 G HA2 0.388 4.348 3.960 -0.000 0.000 0.296 35 G HA3 0.388 4.348 3.960 -0.000 0.000 0.296 35 G C -1.317 173.571 174.900 -0.020 0.000 1.513 35 G CA -0.482 44.606 45.100 -0.019 0.000 0.851 35 G HN 0.701 nan 8.290 nan 0.000 0.548 36 D N -0.193 120.193 120.400 -0.025 0.000 2.708 36 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 36 D C 1.613 177.897 176.300 -0.027 0.000 1.146 36 D CA 2.629 56.613 54.000 -0.026 0.000 0.662 36 D CB -1.167 39.617 40.800 -0.026 0.000 1.059 36 D HN 2.257 nan 8.370 nan 0.000 0.428 37 G N -0.954 107.829 108.800 -0.028 0.000 2.168 37 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 37 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 37 G C 0.203 175.106 174.900 0.006 0.000 0.977 37 G CA 0.393 45.482 45.100 -0.019 0.000 0.659 37 G HN 0.498 nan 8.290 nan 0.000 0.533 38 I N 0.874 121.447 120.570 0.006 0.000 2.389 38 I HA 0.682 4.852 4.170 -0.000 0.000 0.288 38 I C 0.412 176.559 176.117 0.050 0.000 0.999 38 I CA -1.112 60.208 61.300 0.033 0.000 1.129 38 I CB 1.239 39.246 38.000 0.011 0.000 1.288 38 I HN 0.315 nan 8.210 nan 0.000 0.444 39 A N 7.733 130.621 122.820 0.113 0.000 2.271 39 A HA 0.694 5.014 4.320 -0.000 0.000 0.317 39 A C -0.073 177.593 177.584 0.136 0.000 1.245 39 A CA -0.756 51.371 52.037 0.150 0.000 0.857 39 A CB 0.857 20.045 19.000 0.313 0.000 1.175 39 A HN 0.572 nan 8.150 nan 0.000 0.512 40 R N 1.834 122.393 120.500 0.098 0.000 2.221 40 R HA 0.478 4.818 4.340 -0.000 0.000 0.327 40 R C -1.054 175.304 176.300 0.096 0.000 1.033 40 R CA -0.270 55.878 56.100 0.081 0.000 0.887 40 R CB 1.224 31.558 30.300 0.058 0.000 1.057 40 R HN 0.439 nan 8.270 nan 0.000 0.455 41 V N 3.203 123.168 119.914 0.085 0.000 2.540 41 V HA 0.165 4.285 4.120 -0.000 0.000 0.302 41 V C -0.161 175.985 176.094 0.086 0.000 1.035 41 V CA -1.006 61.345 62.300 0.085 0.000 0.873 41 V CB 1.628 33.476 31.823 0.041 0.000 0.992 41 V HN 0.721 nan 8.190 nan 0.000 0.428 42 H N 3.025 122.104 119.070 0.015 0.000 2.582 42 H HA 0.653 5.209 4.556 -0.000 0.000 0.345 42 H C 0.579 175.906 175.328 -0.001 0.000 1.104 42 H CA 1.489 57.541 56.048 0.007 0.000 1.390 42 H CB 1.115 30.883 29.762 0.009 0.000 1.461 42 H HN 1.122 nan 8.280 nan 0.000 0.551 43 G N 2.880 111.319 108.800 -0.601 0.000 2.488 43 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.237 43 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.237 43 G C -0.030 174.756 174.900 -0.190 0.000 1.209 43 G CA -0.363 44.500 45.100 -0.394 0.000 0.929 43 G HN 1.265 nan 8.290 nan 0.000 0.578 44 L N -0.503 120.643 121.223 -0.127 0.000 3.678 44 L HA -0.219 4.121 4.340 -0.000 0.000 0.425 44 L C 2.211 179.030 176.870 -0.084 0.000 1.240 44 L CA 0.810 55.594 54.840 -0.093 0.000 0.876 44 L CB -0.812 41.194 42.059 -0.087 0.000 1.766 44 L HN 0.638 nan 8.230 nan 0.000 0.917 45 R N -0.067 120.379 120.500 -0.089 0.000 2.200 45 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 45 R C 1.411 177.680 176.300 -0.051 0.000 1.127 45 R CA 1.181 57.238 56.100 -0.072 0.000 0.989 45 R CB -0.407 29.850 30.300 -0.071 0.000 0.869 45 R HN 0.545 nan 8.270 nan 0.000 0.459 46 N N 0.488 119.159 118.700 -0.048 0.000 2.322 46 N HA -0.005 4.735 4.740 -0.000 0.000 0.194 46 N C 0.102 175.589 175.510 -0.037 0.000 1.126 46 N CA 0.041 53.068 53.050 -0.038 0.000 0.845 46 N CB 0.335 38.801 38.487 -0.035 0.000 0.976 46 N HN 0.048 nan 8.380 nan 0.000 0.475 47 V N -0.674 119.214 119.914 -0.043 0.000 2.740 47 V HA 0.127 4.247 4.120 -0.000 0.000 0.303 47 V C 0.422 176.499 176.094 -0.028 0.000 1.054 47 V CA -0.575 61.700 62.300 -0.041 0.000 1.106 47 V CB 0.576 32.370 31.823 -0.049 0.000 0.957 47 V HN 0.053 nan 8.190 nan 0.000 0.486 48 Q N 2.432 122.218 119.800 -0.024 0.000 2.227 48 Q HA 0.656 4.996 4.340 -0.000 0.000 0.245 48 Q C 0.273 176.270 176.000 -0.005 0.000 0.926 48 Q CA -0.427 55.368 55.803 -0.013 0.000 0.895 48 Q CB 1.694 30.424 28.738 -0.012 0.000 1.230 48 Q HN 1.134 nan 8.270 nan 0.000 0.450 49 A N 2.107 124.930 122.820 0.005 0.000 2.548 49 A HA 0.014 4.334 4.320 -0.000 0.000 0.247 49 A C 0.151 177.749 177.584 0.022 0.000 1.067 49 A CA 0.408 52.456 52.037 0.018 0.000 0.757 49 A CB -0.304 18.712 19.000 0.026 0.000 0.996 49 A HN 0.979 nan 8.150 nan 0.000 0.504 50 E N -0.491 119.729 120.200 0.034 0.000 3.763 50 E HA -0.211 4.138 4.350 -0.000 0.000 0.319 50 E C 0.229 176.845 176.600 0.027 0.000 0.804 50 E CA 1.160 57.589 56.400 0.048 0.000 1.196 50 E CB -1.498 28.232 29.700 0.050 0.000 1.607 50 E HN 0.962 nan 8.360 nan 0.000 0.431 51 E N 0.833 121.034 120.200 0.002 0.000 2.373 51 E HA 0.137 4.487 4.350 -0.000 0.000 0.267 51 E C -0.065 176.507 176.600 -0.047 0.000 1.032 51 E CA -0.123 56.262 56.400 -0.026 0.000 0.889 51 E CB 0.608 30.286 29.700 -0.037 0.000 0.984 51 E HN 0.008 nan 8.360 nan 0.000 0.425 52 M N 5.057 124.609 119.600 -0.081 0.000 2.084 52 M HA 0.167 4.647 4.480 -0.000 0.000 0.351 52 M C -0.443 175.763 176.300 -0.157 0.000 1.240 52 M CA -0.517 54.694 55.300 -0.148 0.000 1.083 52 M CB 0.848 33.329 32.600 -0.198 0.000 1.593 52 M HN 0.439 nan 8.290 nan 0.000 0.463 53 V N 1.626 121.424 119.914 -0.192 0.000 3.096 53 V HA 0.668 4.788 4.120 -0.000 0.000 0.319 53 V C -0.568 175.359 176.094 -0.278 0.000 1.103 53 V CA -0.928 61.236 62.300 -0.226 0.000 1.016 53 V CB 2.070 33.735 31.823 -0.263 0.000 1.090 53 V HN 0.856 nan 8.190 nan 0.000 0.449 54 E N 0.332 120.369 120.200 -0.271 0.000 2.187 54 E HA 0.556 4.906 4.350 -0.000 0.000 0.268 54 E C -1.528 174.909 176.600 -0.271 0.000 0.896 54 E CA -0.714 55.566 56.400 -0.200 0.000 0.766 54 E CB 1.590 31.237 29.700 -0.089 0.000 1.142 54 E HN 0.599 nan 8.360 nan 0.000 0.408 55 F N 1.341 121.284 119.950 -0.011 0.000 2.378 55 F HA 0.058 4.585 4.527 -0.000 0.000 0.319 55 F C 2.021 177.822 175.800 0.002 0.000 1.155 55 F CA 0.020 58.021 58.000 0.002 0.000 1.157 55 F CB 1.144 40.152 39.000 0.013 0.000 1.252 55 F HN 0.588 nan 8.300 nan 0.000 0.550 56 S N -0.890 114.932 115.700 0.203 0.000 2.419 56 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 56 S C 1.796 176.457 174.600 0.101 0.000 1.016 56 S CA 1.091 59.358 58.200 0.112 0.000 0.974 56 S CB -0.936 62.317 63.200 0.089 0.000 0.786 56 S HN 0.683 nan 8.310 nan 0.000 0.492 57 S N 0.470 116.246 115.700 0.127 0.000 2.522 57 S HA 0.401 4.871 4.470 -0.000 0.000 0.227 57 S C 1.732 176.380 174.600 0.079 0.000 0.986 57 S CA 0.641 58.889 58.200 0.079 0.000 0.929 57 S CB -0.596 62.631 63.200 0.046 0.000 0.769 57 S HN 1.392 nan 8.310 nan 0.000 0.529 58 G N 0.677 109.542 108.800 0.108 0.000 2.232 58 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 58 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 58 G C 0.003 174.969 174.900 0.111 0.000 0.996 58 G CA -0.060 45.091 45.100 0.085 0.000 0.626 58 G HN 0.505 nan 8.290 nan 0.000 0.509 59 L N 1.296 122.612 121.223 0.155 0.000 2.483 59 L HA 0.359 4.699 4.340 -0.000 0.000 0.276 59 L C 0.845 177.899 176.870 0.306 0.000 1.213 59 L CA -0.012 54.942 54.840 0.191 0.000 0.843 59 L CB 0.387 42.515 42.059 0.115 0.000 1.107 59 L HN -0.000 nan 8.230 nan 0.000 0.487 60 K N 1.381 121.903 120.400 0.204 0.000 2.139 60 K HA 0.753 5.073 4.320 -0.000 0.000 0.243 60 K C -0.052 176.638 176.600 0.149 0.000 0.983 60 K CA -0.522 55.790 56.287 0.041 0.000 0.890 60 K CB 1.918 34.267 32.500 -0.251 0.000 1.090 60 K HN 0.769 nan 8.250 nan 0.000 0.445 61 G N 0.194 108.973 108.800 -0.036 0.000 2.690 61 G HA2 0.596 4.555 3.960 -0.000 0.000 0.293 61 G HA3 0.596 4.555 3.960 -0.000 0.000 0.293 61 G C -1.595 173.286 174.900 -0.031 0.000 1.399 61 G CA -0.667 44.534 45.100 0.169 0.000 0.890 61 G HN 0.413 nan 8.290 nan 0.000 0.485 62 M N 1.063 120.782 119.600 0.199 0.000 2.311 62 M HA 0.447 4.927 4.480 -0.000 0.000 0.325 62 M C -0.219 176.151 176.300 0.116 0.000 1.061 62 M CA -0.567 54.821 55.300 0.148 0.000 0.957 62 M CB 1.803 34.604 32.600 0.336 0.000 1.646 62 M HN 0.348 nan 8.290 nan 0.000 0.434 63 S N 5.795 121.525 115.700 0.050 0.000 3.530 63 S HA 0.222 4.692 4.470 -0.000 0.000 0.279 63 S C 1.038 175.665 174.600 0.045 0.000 1.280 63 S CA -0.359 57.860 58.200 0.031 0.000 0.946 63 S CB -0.358 62.839 63.200 -0.005 0.000 1.501 63 S HN 0.701 nan 8.310 nan 0.000 0.498 64 L N 1.296 122.551 121.223 0.054 0.000 2.249 64 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 64 L C 0.241 177.130 176.870 0.031 0.000 1.090 64 L CA 0.595 55.463 54.840 0.046 0.000 0.802 64 L CB -0.083 41.994 42.059 0.029 0.000 0.947 64 L HN 0.359 nan 8.230 nan 0.000 0.453 65 N N 0.521 119.235 118.700 0.023 0.000 2.476 65 N HA 0.399 5.138 4.740 -0.000 0.000 0.257 65 N C -1.087 174.432 175.510 0.015 0.000 0.970 65 N CA -0.091 52.969 53.050 0.016 0.000 0.938 65 N CB 1.382 39.875 38.487 0.010 0.000 1.144 65 N HN -0.012 nan 8.380 nan 0.000 0.500 66 L N 2.182 123.413 121.223 0.013 0.000 2.264 66 L HA 0.452 4.791 4.340 -0.000 0.000 0.287 66 L C 0.226 177.100 176.870 0.007 0.000 1.039 66 L CA -0.377 54.466 54.840 0.006 0.000 0.829 66 L CB 0.751 42.812 42.059 0.004 0.000 1.211 66 L HN 0.373 nan 8.230 nan 0.000 0.427 67 E N 3.407 123.611 120.200 0.006 0.000 2.281 67 E HA 0.339 4.689 4.350 -0.000 0.000 0.262 67 E C -1.761 174.842 176.600 0.006 0.000 0.933 67 E CA -1.776 54.628 56.400 0.008 0.000 0.809 67 E CB 1.862 31.570 29.700 0.012 0.000 1.242 67 E HN 0.258 nan 8.360 nan 0.000 0.418 68 P HA -0.201 nan 4.420 nan 0.000 0.216 68 P C 0.401 177.708 177.300 0.012 0.000 1.153 68 P CA 1.488 64.593 63.100 0.008 0.000 0.858 68 P CB 0.144 31.851 31.700 0.011 0.000 0.789 69 D N -2.541 117.873 120.400 0.024 0.000 2.433 69 D HA 0.056 4.696 4.640 -0.000 0.000 0.211 69 D C 0.169 176.506 176.300 0.061 0.000 1.114 69 D CA -0.201 53.828 54.000 0.049 0.000 0.837 69 D CB -0.729 40.107 40.800 0.060 0.000 0.984 69 D HN 0.364 nan 8.370 nan 0.000 0.505 70 N N -1.483 117.237 118.700 0.033 0.000 2.927 70 N HA 0.419 5.159 4.740 -0.000 0.000 0.248 70 N C -1.914 173.604 175.510 0.013 0.000 1.443 70 N CA -1.013 52.058 53.050 0.034 0.000 0.870 70 N CB 1.704 40.223 38.487 0.053 0.000 1.444 70 N HN -0.212 nan 8.380 nan 0.000 0.519 71 V N 0.121 120.043 119.914 0.014 0.000 2.384 71 V HA 0.711 4.831 4.120 -0.000 0.000 0.287 71 V C 0.677 176.789 176.094 0.030 0.000 1.020 71 V CA -0.665 61.641 62.300 0.010 0.000 0.850 71 V CB 1.124 32.941 31.823 -0.010 0.000 0.987 71 V HN 0.875 nan 8.190 nan 0.000 0.436 72 G N 3.921 112.739 108.800 0.029 0.000 2.394 72 G HA2 0.474 4.434 3.960 -0.000 0.000 0.298 72 G HA3 0.474 4.434 3.960 -0.000 0.000 0.298 72 G C -0.558 174.375 174.900 0.056 0.000 1.087 72 G CA -0.129 44.994 45.100 0.040 0.000 1.035 72 G HN 0.535 nan 8.290 nan 0.000 0.420 73 V N 3.876 123.846 119.914 0.093 0.000 2.370 73 V HA 0.221 4.341 4.120 -0.000 0.000 0.283 73 V C 0.210 176.417 176.094 0.188 0.000 1.023 73 V CA -0.718 61.665 62.300 0.138 0.000 0.857 73 V CB 1.697 33.611 31.823 0.153 0.000 0.985 73 V HN 0.462 nan 8.190 nan 0.000 0.443 74 V N 6.254 126.282 119.914 0.190 0.000 2.432 74 V HA 0.253 4.373 4.120 -0.000 0.000 0.271 74 V C 0.207 176.503 176.094 0.337 0.000 1.046 74 V CA -0.327 62.086 62.300 0.188 0.000 0.945 74 V CB 1.653 33.545 31.823 0.115 0.000 0.992 74 V HN 0.630 nan 8.190 nan 0.000 0.471 75 V N 6.031 126.097 119.914 0.254 0.000 2.498 75 V HA 0.265 4.385 4.120 -0.000 0.000 0.279 75 V C 0.075 176.359 176.094 0.318 0.000 1.048 75 V CA -0.273 62.207 62.300 0.301 0.000 0.967 75 V CB 0.923 32.770 31.823 0.040 0.000 0.988 75 V HN 0.682 nan 8.190 nan 0.000 0.473 76 F N 4.569 124.584 119.950 0.107 0.000 2.660 76 F HA 0.635 5.162 4.527 -0.000 0.000 0.342 76 F C 1.037 176.868 175.800 0.051 0.000 1.195 76 F CA 0.204 58.257 58.000 0.087 0.000 1.300 76 F CB -0.017 39.047 39.000 0.106 0.000 1.616 76 F HN 0.757 nan 8.300 nan 0.000 0.592 77 G N 0.398 109.272 108.800 0.124 0.000 2.368 77 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.269 77 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.269 77 G C -1.505 173.400 174.900 0.009 0.000 1.291 77 G CA -1.141 43.997 45.100 0.062 0.000 0.903 77 G HN 0.083 nan 8.290 nan 0.000 0.483 78 N N 1.164 119.860 118.700 -0.006 0.000 2.488 78 N HA 0.272 5.012 4.740 -0.000 0.000 0.274 78 N C 0.687 176.159 175.510 -0.063 0.000 1.111 78 N CA 0.358 53.392 53.050 -0.027 0.000 0.974 78 N CB 1.467 39.943 38.487 -0.018 0.000 1.089 78 N HN 0.536 nan 8.380 nan 0.000 0.465 79 D N 2.305 122.661 120.400 -0.073 0.000 2.349 79 D HA -0.115 4.525 4.640 -0.000 0.000 0.224 79 D C 1.257 177.503 176.300 -0.091 0.000 1.029 79 D CA 0.599 54.533 54.000 -0.111 0.000 0.879 79 D CB -0.121 40.620 40.800 -0.099 0.000 0.906 79 D HN 0.714 nan 8.370 nan 0.000 0.528 80 K N 0.695 121.059 120.400 -0.061 0.000 2.280 80 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 80 K C 1.458 178.029 176.600 -0.048 0.000 1.047 80 K CA 0.808 57.068 56.287 -0.045 0.000 0.942 80 K CB -0.304 32.179 32.500 -0.028 0.000 0.739 80 K HN 0.210 nan 8.250 nan 0.000 0.457 81 L N 1.231 122.416 121.223 -0.064 0.000 2.611 81 L HA 0.307 4.647 4.340 -0.000 0.000 0.229 81 L C 0.243 177.062 176.870 -0.086 0.000 1.137 81 L CA -0.190 54.615 54.840 -0.057 0.000 0.901 81 L CB 0.065 42.099 42.059 -0.042 0.000 1.098 81 L HN 0.163 nan 8.230 nan 0.000 0.456 82 I N 0.109 120.602 120.570 -0.128 0.000 2.436 82 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 82 I C -0.356 175.718 176.117 -0.073 0.000 1.010 82 I CA -0.415 60.794 61.300 -0.153 0.000 1.098 82 I CB 1.741 39.516 38.000 -0.375 0.000 1.266 82 I HN -0.021 nan 8.210 nan 0.000 0.434 83 K N 4.297 124.684 120.400 -0.021 0.000 2.395 83 K HA 0.364 4.684 4.320 -0.000 0.000 0.247 83 K C -0.645 175.969 176.600 0.024 0.000 0.973 83 K CA -0.966 55.320 56.287 -0.001 0.000 0.828 83 K CB 2.292 34.794 32.500 0.004 0.000 1.272 83 K HN 0.516 nan 8.250 nan 0.000 0.439 84 E N 0.362 120.575 120.200 0.021 0.000 2.529 84 E HA -0.058 4.292 4.350 -0.000 0.000 0.259 84 E C 0.476 177.097 176.600 0.035 0.000 0.966 84 E CA 1.325 57.744 56.400 0.030 0.000 0.937 84 E CB 0.076 29.787 29.700 0.018 0.000 0.923 84 E HN 0.769 nan 8.360 nan 0.000 0.468 85 G N 3.865 112.693 108.800 0.047 0.000 2.175 85 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 85 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 85 G C -0.217 174.718 174.900 0.058 0.000 0.982 85 G CA 0.107 45.233 45.100 0.044 0.000 0.641 85 G HN 0.658 nan 8.290 nan 0.000 0.527 86 D N 0.427 120.874 120.400 0.079 0.000 2.424 86 D HA 0.452 5.092 4.640 -0.000 0.000 0.244 86 D C 0.890 177.256 176.300 0.111 0.000 1.134 86 D CA -0.040 54.021 54.000 0.101 0.000 0.881 86 D CB 0.724 41.607 40.800 0.138 0.000 1.191 86 D HN 0.237 nan 8.370 nan 0.000 0.445 87 I N 1.951 122.572 120.570 0.085 0.000 2.529 87 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 87 I C -0.054 176.082 176.117 0.031 0.000 1.082 87 I CA -0.065 61.266 61.300 0.052 0.000 1.406 87 I CB 0.973 38.992 38.000 0.031 0.000 1.405 87 I HN 0.015 nan 8.210 nan 0.000 0.548 88 V N 6.633 126.527 119.914 -0.033 0.000 2.540 88 V HA 0.493 4.613 4.120 -0.000 0.000 0.302 88 V C -0.203 175.808 176.094 -0.137 0.000 1.035 88 V CA -0.983 61.220 62.300 -0.162 0.000 0.873 88 V CB 1.670 33.340 31.823 -0.256 0.000 0.992 88 V HN 0.586 nan 8.190 nan 0.000 0.428 89 K N 3.597 123.901 120.400 -0.160 0.000 2.324 89 K HA 0.587 4.907 4.320 -0.000 0.000 0.253 89 K C -0.616 175.909 176.600 -0.126 0.000 0.932 89 K CA -0.871 55.349 56.287 -0.112 0.000 0.799 89 K CB 2.592 35.047 32.500 -0.075 0.000 1.154 89 K HN 0.557 nan 8.250 nan 0.000 0.425 90 R N 1.018 121.458 120.500 -0.099 0.000 2.489 90 R HA 0.034 4.374 4.340 -0.000 0.000 0.287 90 R C 0.656 176.912 176.300 -0.072 0.000 1.053 90 R CA 0.310 56.358 56.100 -0.087 0.000 1.036 90 R CB 0.270 30.528 30.300 -0.069 0.000 0.966 90 R HN 0.749 nan 8.270 nan 0.000 0.432 91 T N -1.667 112.844 114.554 -0.072 0.000 3.091 91 T HA 0.199 4.548 4.350 -0.000 0.000 0.277 91 T C 1.156 175.827 174.700 -0.048 0.000 0.996 91 T CA 0.084 62.150 62.100 -0.057 0.000 0.897 91 T CB 0.824 69.656 68.868 -0.061 0.000 1.109 91 T HN 0.798 nan 8.240 nan 0.000 0.534 92 G N 1.697 110.468 108.800 -0.049 0.000 2.153 92 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.252 92 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.252 92 G C 0.374 175.249 174.900 -0.042 0.000 0.994 92 G CA -0.107 44.969 45.100 -0.040 0.000 0.698 92 G HN 1.290 nan 8.290 nan 0.000 0.521 93 A N 0.097 122.884 122.820 -0.054 0.000 2.520 93 A HA 0.530 4.850 4.320 -0.000 0.000 0.245 93 A C 0.666 178.219 177.584 -0.051 0.000 1.072 93 A CA 0.253 52.255 52.037 -0.058 0.000 0.761 93 A CB 0.393 19.344 19.000 -0.082 0.000 1.004 93 A HN 1.089 nan 8.150 nan 0.000 0.499 94 I N 4.182 124.727 120.570 -0.041 0.000 2.377 94 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 94 I C -0.334 175.764 176.117 -0.032 0.000 0.987 94 I CA -0.490 60.791 61.300 -0.032 0.000 1.185 94 I CB 1.717 39.703 38.000 -0.023 0.000 1.341 94 I HN 0.326 nan 8.210 nan 0.000 0.455 95 V N 8.157 128.055 119.914 -0.027 0.000 2.287 95 V HA 0.132 4.252 4.120 -0.000 0.000 0.246 95 V C -0.109 175.983 176.094 -0.003 0.000 1.165 95 V CA -0.289 62.002 62.300 -0.015 0.000 1.088 95 V CB -0.511 31.311 31.823 -0.002 0.000 1.242 95 V HN 0.770 nan 8.190 nan 0.000 0.497 96 D N 3.639 124.039 120.400 -0.000 0.000 2.566 96 D HA 0.729 5.369 4.640 -0.000 0.000 0.254 96 D C -0.475 175.832 176.300 0.013 0.000 1.090 96 D CA -0.688 53.315 54.000 0.005 0.000 1.034 96 D CB 2.377 43.175 40.800 -0.003 0.000 1.434 96 D HN 0.301 nan 8.370 nan 0.000 0.509 97 V N -4.965 114.955 119.914 0.011 0.000 3.078 97 V HA 0.724 4.844 4.120 -0.000 0.000 0.311 97 V C -2.855 173.232 176.094 -0.011 0.000 1.138 97 V CA -2.257 60.049 62.300 0.011 0.000 1.007 97 V CB 1.779 33.618 31.823 0.027 0.000 1.045 97 V HN 0.581 nan 8.190 nan 0.000 0.432 98 P HA 0.330 nan 4.420 nan 0.000 0.269 98 P C -0.833 176.418 177.300 -0.081 0.000 1.215 98 P CA 0.086 63.155 63.100 -0.052 0.000 0.780 98 P CB 1.431 33.105 31.700 -0.043 0.000 0.898 99 V N 1.330 121.149 119.914 -0.159 0.000 2.851 99 V HA 0.775 4.895 4.120 -0.000 0.000 0.307 99 V C 0.219 175.974 176.094 -0.564 0.000 1.129 99 V CA 0.414 62.549 62.300 -0.275 0.000 0.932 99 V CB 1.842 33.552 31.823 -0.189 0.000 1.024 99 V HN 1.110 nan 8.190 nan 0.000 0.426 100 G N 3.451 111.737 108.800 -0.858 0.000 2.353 100 G HA2 0.031 3.991 3.960 -0.000 0.000 0.424 100 G HA3 0.031 3.991 3.960 -0.000 0.000 0.424 100 G C -0.048 174.524 174.900 -0.548 0.000 1.320 100 G CA -0.114 44.280 45.100 -1.176 0.000 0.995 100 G HN 0.598 nan 8.290 nan 0.000 0.580 101 E N 0.284 120.274 120.200 -0.350 0.000 2.472 101 E HA -0.088 4.262 4.350 -0.000 0.000 0.200 101 E C 1.960 178.555 176.600 -0.009 0.000 1.046 101 E CA 1.120 57.487 56.400 -0.054 0.000 0.871 101 E CB 0.099 29.805 29.700 0.010 0.000 0.806 101 E HN 0.596 nan 8.360 nan 0.000 0.533 102 E N 0.679 120.836 120.200 -0.072 0.000 2.274 102 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 102 E C 1.981 178.575 176.600 -0.009 0.000 0.996 102 E CA 0.507 56.886 56.400 -0.034 0.000 0.840 102 E CB -0.296 29.370 29.700 -0.057 0.000 0.772 102 E HN 0.339 nan 8.360 nan 0.000 0.491 103 L N 0.798 122.015 121.223 -0.011 0.000 2.291 103 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 103 L C 1.223 178.132 176.870 0.066 0.000 1.120 103 L CA 0.134 54.989 54.840 0.024 0.000 0.799 103 L CB -0.343 41.731 42.059 0.026 0.000 0.925 103 L HN -0.001 nan 8.230 nan 0.000 0.446 104 L N 0.883 122.167 121.223 0.101 0.000 2.534 104 L HA 0.080 4.420 4.340 -0.000 0.000 0.271 104 L C 1.316 178.229 176.870 0.071 0.000 1.178 104 L CA 0.696 55.612 54.840 0.126 0.000 0.907 104 L CB -0.102 42.076 42.059 0.197 0.000 1.164 104 L HN 0.364 nan 8.230 nan 0.000 0.482 105 G N 2.107 110.930 108.800 0.039 0.000 2.175 105 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 105 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 105 G C 0.216 175.118 174.900 0.003 0.000 0.982 105 G CA -0.546 44.556 45.100 0.003 0.000 0.641 105 G HN 0.459 nan 8.290 nan 0.000 0.527 106 R N -0.211 120.300 120.500 0.018 0.000 2.668 106 R HA 0.710 5.050 4.340 -0.000 0.000 0.279 106 R C -0.299 176.015 176.300 0.023 0.000 0.976 106 R CA -0.765 55.345 56.100 0.018 0.000 0.978 106 R CB 1.803 32.115 30.300 0.020 0.000 1.133 106 R HN 0.228 nan 8.270 nan 0.000 0.484 107 V N 2.837 122.764 119.914 0.021 0.000 2.384 107 V HA 0.415 4.535 4.120 -0.000 0.000 0.287 107 V C 0.242 176.355 176.094 0.032 0.000 1.020 107 V CA -0.768 61.550 62.300 0.030 0.000 0.850 107 V CB 1.421 33.259 31.823 0.024 0.000 0.987 107 V HN 0.593 nan 8.190 nan 0.000 0.436 108 V N 1.218 121.157 119.914 0.040 0.000 3.046 108 V HA 0.823 4.943 4.120 -0.000 0.000 0.316 108 V C -0.295 175.826 176.094 0.045 0.000 1.104 108 V CA -0.894 61.429 62.300 0.039 0.000 1.006 108 V CB 2.072 33.917 31.823 0.037 0.000 1.058 108 V HN 0.781 nan 8.190 nan 0.000 0.440 109 D N 1.762 122.190 120.400 0.046 0.000 2.440 109 D HA 0.460 5.100 4.640 -0.000 0.000 0.269 109 D C 1.282 177.616 176.300 0.056 0.000 1.249 109 D CA 0.112 54.143 54.000 0.051 0.000 1.055 109 D CB 0.730 41.563 40.800 0.055 0.000 1.104 109 D HN 0.837 nan 8.370 nan 0.000 0.561 110 A N -0.892 121.965 122.820 0.062 0.000 2.076 110 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 110 A C 2.092 179.727 177.584 0.085 0.000 1.160 110 A CA 1.054 53.131 52.037 0.068 0.000 0.653 110 A CB -0.788 18.250 19.000 0.065 0.000 0.801 110 A HN 0.519 nan 8.150 nan 0.000 0.455 111 L N -2.059 119.219 121.223 0.091 0.000 2.693 111 L HA 0.312 4.652 4.340 -0.000 0.000 0.235 111 L C 1.491 178.395 176.870 0.058 0.000 1.127 111 L CA 0.467 55.361 54.840 0.090 0.000 0.914 111 L CB 0.290 42.416 42.059 0.112 0.000 1.193 111 L HN 0.514 nan 8.230 nan 0.000 0.502 112 G N -0.097 108.733 108.800 0.050 0.000 2.157 112 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.239 112 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.239 112 G C 0.022 174.938 174.900 0.028 0.000 0.982 112 G CA -0.388 44.732 45.100 0.034 0.000 0.650 112 G HN 0.355 nan 8.290 nan 0.000 0.527 113 N N 1.179 119.901 118.700 0.035 0.000 2.497 113 N HA 0.494 5.234 4.740 -0.000 0.000 0.271 113 N C 0.661 176.188 175.510 0.028 0.000 1.142 113 N CA 0.621 53.689 53.050 0.030 0.000 0.965 113 N CB 1.324 39.833 38.487 0.037 0.000 1.077 113 N HN 0.715 nan 8.380 nan 0.000 0.462 114 A N 2.135 124.968 122.820 0.021 0.000 2.520 114 A HA 0.184 4.503 4.320 -0.000 0.000 0.245 114 A C 1.282 178.879 177.584 0.022 0.000 1.072 114 A CA -0.091 51.958 52.037 0.019 0.000 0.761 114 A CB -0.460 18.549 19.000 0.013 0.000 1.004 114 A HN 0.833 nan 8.150 nan 0.000 0.499 115 I N -0.944 119.639 120.570 0.023 0.000 4.225 115 I HA 0.248 4.418 4.170 -0.000 0.000 0.327 115 I C 0.254 176.382 176.117 0.017 0.000 1.422 115 I CA 0.001 61.315 61.300 0.022 0.000 1.150 115 I CB 0.478 38.495 38.000 0.028 0.000 1.192 115 I HN 0.460 nan 8.210 nan 0.000 0.440 116 D N 1.227 121.635 120.400 0.014 0.000 2.339 116 D HA 0.151 4.791 4.640 -0.000 0.000 0.217 116 D C 1.682 177.985 176.300 0.006 0.000 1.050 116 D CA 0.625 54.630 54.000 0.008 0.000 0.856 116 D CB 0.072 40.875 40.800 0.006 0.000 0.922 116 D HN 0.429 nan 8.370 nan 0.000 0.518 117 G N 0.748 109.553 108.800 0.008 0.000 2.153 117 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.252 117 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.252 117 G C 0.688 175.591 174.900 0.004 0.000 0.994 117 G CA 0.389 45.493 45.100 0.006 0.000 0.698 117 G HN 0.453 nan 8.290 nan 0.000 0.521 118 K N 0.240 120.643 120.400 0.004 0.000 2.493 118 K HA 0.475 4.795 4.320 -0.000 0.000 0.207 118 K C 1.480 178.082 176.600 0.003 0.000 1.033 118 K CA 0.454 56.742 56.287 0.003 0.000 1.161 118 K CB 0.263 32.764 32.500 0.002 0.000 0.873 118 K HN 1.381 nan 8.250 nan 0.000 0.491 119 G N 2.475 111.278 108.800 0.004 0.000 2.660 119 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 119 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 119 G C -2.666 172.236 174.900 0.004 0.000 1.345 119 G CA -1.057 44.045 45.100 0.004 0.000 0.877 119 G HN 0.127 nan 8.290 nan 0.000 0.549 120 P HA 0.490 nan 4.420 nan 0.000 0.275 120 P C 0.128 177.427 177.300 -0.003 0.000 1.228 120 P CA -0.458 62.642 63.100 -0.000 0.000 0.786 120 P CB 0.584 32.283 31.700 -0.002 0.000 0.927 121 I N 1.854 122.421 120.570 -0.005 0.000 2.517 121 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 121 I C 1.691 177.796 176.117 -0.020 0.000 1.106 121 I CA 0.253 61.546 61.300 -0.012 0.000 1.402 121 I CB -0.139 37.852 38.000 -0.014 0.000 1.399 121 I HN 0.528 nan 8.210 nan 0.000 0.535 122 G N 4.533 113.319 108.800 -0.023 0.000 3.452 122 G HA2 0.007 3.967 3.960 -0.000 0.000 0.258 122 G HA3 0.007 3.967 3.960 -0.000 0.000 0.258 122 G C 0.658 175.532 174.900 -0.044 0.000 1.305 122 G CA -0.175 44.908 45.100 -0.027 0.000 1.514 122 G HN 0.618 nan 8.290 nan 0.000 0.593 123 S N -0.285 115.383 115.700 -0.053 0.000 2.516 123 S HA 0.148 4.618 4.470 -0.000 0.000 0.282 123 S C 1.426 175.982 174.600 -0.073 0.000 1.286 123 S CA -0.143 58.009 58.200 -0.081 0.000 1.066 123 S CB 0.643 63.796 63.200 -0.080 0.000 0.884 123 S HN 0.508 nan 8.310 nan 0.000 0.491 124 K N 2.895 123.240 120.400 -0.091 0.000 2.352 124 K HA 0.293 4.613 4.320 -0.000 0.000 0.194 124 K C 0.423 176.983 176.600 -0.068 0.000 1.038 124 K CA 0.334 56.580 56.287 -0.067 0.000 1.023 124 K CB 0.451 32.916 32.500 -0.058 0.000 0.840 124 K HN 0.610 nan 8.250 nan 0.000 0.519 125 A N 1.349 124.107 122.820 -0.103 0.000 2.454 125 A HA 0.679 4.999 4.320 -0.000 0.000 0.302 125 A C -0.993 176.537 177.584 -0.090 0.000 1.079 125 A CA -0.821 51.165 52.037 -0.085 0.000 0.731 125 A CB 1.367 20.318 19.000 -0.082 0.000 1.299 125 A HN 0.049 nan 8.150 nan 0.000 0.413 126 R N -0.096 120.374 120.500 -0.051 0.000 2.837 126 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 126 R C -0.760 175.530 176.300 -0.016 0.000 0.993 126 R CA -0.870 55.206 56.100 -0.039 0.000 0.931 126 R CB 2.654 32.938 30.300 -0.027 0.000 1.206 126 R HN 0.779 nan 8.270 nan 0.000 0.474 127 R N 0.905 121.401 120.500 -0.007 0.000 2.584 127 R HA 0.303 4.643 4.340 -0.000 0.000 0.276 127 R C -0.974 175.333 176.300 0.011 0.000 1.046 127 R CA -0.770 55.336 56.100 0.011 0.000 0.906 127 R CB 1.747 32.064 30.300 0.028 0.000 1.215 127 R HN 0.552 nan 8.270 nan 0.000 0.449 128 R N 1.831 122.337 120.500 0.010 0.000 2.585 128 R HA -0.010 4.330 4.340 -0.000 0.000 0.275 128 R C 1.437 177.743 176.300 0.010 0.000 1.018 128 R CA 0.323 56.425 56.100 0.004 0.000 1.072 128 R CB 0.737 31.034 30.300 -0.004 0.000 0.953 128 R HN 0.571 nan 8.270 nan 0.000 0.419 129 V N 0.718 120.635 119.914 0.004 0.000 2.719 129 V HA 0.122 4.242 4.120 -0.000 0.000 0.252 129 V C 0.865 176.941 176.094 -0.031 0.000 1.065 129 V CA 1.418 63.728 62.300 0.016 0.000 1.086 129 V CB 0.059 31.897 31.823 0.024 0.000 0.700 129 V HN 0.725 nan 8.190 nan 0.000 0.467 130 G N 1.384 110.135 108.800 -0.080 0.000 2.800 130 G HA2 0.649 4.609 3.960 -0.000 0.000 0.340 130 G HA3 0.649 4.609 3.960 -0.000 0.000 0.340 130 G C -0.942 173.915 174.900 -0.073 0.000 1.089 130 G CA -0.381 44.633 45.100 -0.143 0.000 1.144 130 G HN 0.370 nan 8.290 nan 0.000 0.461 131 L N 0.901 122.098 121.223 -0.043 0.000 2.371 131 L HA 0.514 4.854 4.340 -0.000 0.000 0.262 131 L C 0.168 177.032 176.870 -0.010 0.000 1.006 131 L CA -1.128 53.703 54.840 -0.016 0.000 0.818 131 L CB 2.818 44.880 42.059 0.006 0.000 1.354 131 L HN 0.252 nan 8.230 nan 0.000 0.415 132 K N 0.901 121.299 120.400 -0.003 0.000 2.202 132 K HA 0.529 4.849 4.320 -0.000 0.000 0.264 132 K C -0.132 176.471 176.600 0.005 0.000 1.010 132 K CA -0.403 55.886 56.287 0.004 0.000 0.940 132 K CB 1.222 33.729 32.500 0.012 0.000 0.983 132 K HN 0.648 nan 8.250 nan 0.000 0.475 133 A N 3.433 126.256 122.820 0.006 0.000 2.366 133 A HA 0.296 4.616 4.320 -0.000 0.000 0.249 133 A C -2.131 175.440 177.584 -0.023 0.000 1.084 133 A CA -1.203 50.833 52.037 -0.002 0.000 0.794 133 A CB -0.450 18.552 19.000 0.003 0.000 1.034 133 A HN 0.463 nan 8.150 nan 0.000 0.491 134 P HA 0.213 nan 4.420 nan 0.000 0.265 134 P C 0.677 177.926 177.300 -0.084 0.000 1.187 134 P CA 0.563 63.603 63.100 -0.100 0.000 0.766 134 P CB 0.430 32.046 31.700 -0.139 0.000 0.820 135 G N 1.711 110.452 108.800 -0.099 0.000 2.516 135 G HA2 0.095 4.055 3.960 -0.000 0.000 0.276 135 G HA3 0.095 4.055 3.960 -0.000 0.000 0.276 135 G C 1.111 175.968 174.900 -0.072 0.000 1.390 135 G CA -0.549 44.512 45.100 -0.065 0.000 1.050 135 G HN 0.364 nan 8.290 nan 0.000 0.519 136 I N 0.075 120.619 120.570 -0.044 0.000 2.179 136 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 136 I C 2.753 178.840 176.117 -0.050 0.000 1.088 136 I CA 1.085 62.364 61.300 -0.034 0.000 1.357 136 I CB -0.777 37.216 38.000 -0.012 0.000 1.051 136 I HN 0.270 nan 8.210 nan 0.000 0.409 137 I N 1.307 121.843 120.570 -0.057 0.000 2.202 137 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 137 I C -0.272 175.790 176.117 -0.091 0.000 1.091 137 I CA 1.450 62.725 61.300 -0.043 0.000 1.368 137 I CB -2.748 35.250 38.000 -0.003 0.000 1.058 137 I HN 0.147 nan 8.210 nan 0.000 0.410 138 P HA -0.037 nan 4.420 nan 0.000 0.239 138 P C 0.277 177.419 177.300 -0.263 0.000 1.184 138 P CA 0.818 63.574 63.100 -0.573 0.000 0.760 138 P CB 0.036 31.027 31.700 -1.182 0.000 0.884 139 R N -0.535 119.886 120.500 -0.132 0.000 2.674 139 R HA 0.682 5.022 4.340 -0.000 0.000 0.266 139 R C -0.451 175.843 176.300 -0.010 0.000 1.016 139 R CA -0.906 55.157 56.100 -0.061 0.000 1.062 139 R CB 1.038 31.306 30.300 -0.053 0.000 1.142 139 R HN -0.081 nan 8.270 nan 0.000 0.517 140 I N -0.766 119.808 120.570 0.005 0.000 2.865 140 I HA 0.194 4.364 4.170 -0.000 0.000 0.302 140 I C -0.573 175.551 176.117 0.012 0.000 1.140 140 I CA -0.206 61.104 61.300 0.016 0.000 1.021 140 I CB 2.490 40.508 38.000 0.030 0.000 1.233 140 I HN 0.505 nan 8.210 nan 0.000 0.427 141 S N 3.133 118.840 115.700 0.011 0.000 2.573 141 S HA 0.115 4.585 4.470 -0.000 0.000 0.297 141 S C -0.292 174.313 174.600 0.007 0.000 1.280 141 S CA -0.385 57.820 58.200 0.008 0.000 1.061 141 S CB 0.099 63.304 63.200 0.007 0.000 0.812 141 S HN 0.388 nan 8.310 nan 0.000 0.500 142 V N 5.873 125.789 119.914 0.004 0.000 2.485 142 V HA 0.141 4.261 4.120 -0.000 0.000 0.287 142 V C 1.280 177.369 176.094 -0.008 0.000 1.022 142 V CA 0.706 63.006 62.300 -0.001 0.000 1.067 142 V CB 0.349 32.170 31.823 -0.003 0.000 0.967 142 V HN 0.857 nan 8.190 nan 0.000 0.479 143 R N 2.112 122.603 120.500 -0.015 0.000 2.551 143 R HA 0.193 4.533 4.340 -0.000 0.000 0.316 143 R C -0.135 176.138 176.300 -0.045 0.000 0.934 143 R CA -0.227 55.859 56.100 -0.023 0.000 1.117 143 R CB 1.042 31.334 30.300 -0.014 0.000 1.626 143 R HN 0.701 nan 8.270 nan 0.000 0.513 144 E N 2.373 122.534 120.200 -0.066 0.000 2.197 144 E HA 0.259 4.609 4.350 -0.000 0.000 0.281 144 E C -2.609 173.912 176.600 -0.132 0.000 0.995 144 E CA -2.155 54.175 56.400 -0.116 0.000 0.808 144 E CB 1.379 30.976 29.700 -0.173 0.000 1.093 144 E HN -0.149 nan 8.360 nan 0.000 0.394 145 P HA -0.021 nan 4.420 nan 0.000 0.268 145 P C -0.688 176.503 177.300 -0.183 0.000 1.204 145 P CA 0.059 63.078 63.100 -0.134 0.000 0.768 145 P CB 0.445 32.069 31.700 -0.126 0.000 0.842 146 M N 3.765 123.285 119.600 -0.132 0.000 2.060 146 M HA 0.145 4.625 4.480 -0.000 0.000 0.342 146 M C -0.678 175.576 176.300 -0.078 0.000 1.031 146 M CA -0.458 54.763 55.300 -0.132 0.000 0.981 146 M CB 0.397 32.942 32.600 -0.091 0.000 1.376 146 M HN 0.311 nan 8.290 nan 0.000 0.397 147 Q N 2.558 122.314 119.800 -0.073 0.000 2.295 147 Q HA 0.172 4.512 4.340 -0.000 0.000 0.259 147 Q C 1.288 177.327 176.000 0.065 0.000 0.976 147 Q CA 0.131 55.949 55.803 0.025 0.000 0.923 147 Q CB 0.861 29.672 28.738 0.121 0.000 1.185 147 Q HN 0.762 nan 8.270 nan 0.000 0.410 148 T N -1.385 113.193 114.554 0.040 0.000 3.014 148 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 148 T C 1.256 175.980 174.700 0.041 0.000 1.078 148 T CA 0.673 62.795 62.100 0.037 0.000 1.135 148 T CB 0.060 68.938 68.868 0.017 0.000 0.895 148 T HN 0.829 nan 8.240 nan 0.000 0.480 149 G N 1.403 110.228 108.800 0.042 0.000 2.159 149 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.256 149 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.256 149 G C -0.003 174.903 174.900 0.010 0.000 0.977 149 G CA 0.179 45.294 45.100 0.025 0.000 0.652 149 G HN 0.676 nan 8.290 nan 0.000 0.531 150 I N 0.576 121.152 120.570 0.010 0.000 2.330 150 I HA 0.280 4.449 4.170 -0.000 0.000 0.289 150 I C 1.519 177.641 176.117 0.008 0.000 1.001 150 I CA -0.855 60.447 61.300 0.002 0.000 1.193 150 I CB 1.404 39.403 38.000 -0.001 0.000 1.345 150 I HN -0.028 nan 8.210 nan 0.000 0.461 151 K N 4.181 124.586 120.400 0.008 0.000 2.044 151 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 151 K C 2.074 178.683 176.600 0.015 0.000 1.049 151 K CA 1.944 58.239 56.287 0.014 0.000 0.927 151 K CB -0.164 32.345 32.500 0.016 0.000 0.713 151 K HN 0.802 nan 8.250 nan 0.000 0.443 152 A N 0.832 123.660 122.820 0.012 0.000 1.933 152 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 152 A C 2.357 179.952 177.584 0.019 0.000 1.175 152 A CA 1.490 53.537 52.037 0.017 0.000 0.628 152 A CB -0.477 18.533 19.000 0.018 0.000 0.814 152 A HN 0.092 nan 8.150 nan 0.000 0.444 153 V N 0.184 120.106 119.914 0.014 0.000 2.302 153 V HA -0.148 3.972 4.120 -0.000 0.000 0.243 153 V C 2.052 178.153 176.094 0.011 0.000 1.036 153 V CA 1.996 64.303 62.300 0.012 0.000 1.020 153 V CB -0.784 31.043 31.823 0.006 0.000 0.657 153 V HN 0.437 nan 8.190 nan 0.000 0.453 154 D N 0.530 120.937 120.400 0.012 0.000 2.218 154 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 154 D C 2.364 178.672 176.300 0.013 0.000 0.976 154 D CA 1.740 55.746 54.000 0.011 0.000 0.853 154 D CB -0.092 40.718 40.800 0.016 0.000 0.939 154 D HN 0.602 nan 8.370 nan 0.000 0.481 155 S N -0.856 114.854 115.700 0.017 0.000 2.427 155 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 155 S C 1.857 176.469 174.600 0.020 0.000 1.047 155 S CA 0.130 58.342 58.200 0.019 0.000 0.953 155 S CB -0.104 63.110 63.200 0.023 0.000 0.824 155 S HN 0.204 nan 8.310 nan 0.000 0.502 156 L N 0.893 122.129 121.223 0.022 0.000 2.642 156 L HA 0.416 4.755 4.340 -0.000 0.000 0.233 156 L C -0.132 176.756 176.870 0.029 0.000 1.077 156 L CA -0.007 54.849 54.840 0.027 0.000 0.879 156 L CB 0.948 43.026 42.059 0.032 0.000 1.151 156 L HN 0.171 nan 8.230 nan 0.000 0.495 157 V N 0.212 120.140 119.914 0.023 0.000 2.647 157 V HA 0.254 4.374 4.120 -0.000 0.000 0.305 157 V C -2.445 173.653 176.094 0.008 0.000 1.162 157 V CA -1.231 61.081 62.300 0.020 0.000 1.248 157 V CB -0.072 31.764 31.823 0.021 0.000 1.508 157 V HN -0.006 nan 8.190 nan 0.000 0.647 158 P HA 0.294 nan 4.420 nan 0.000 0.268 158 P C -0.421 176.873 177.300 -0.010 0.000 1.205 158 P CA 0.351 63.450 63.100 -0.002 0.000 0.771 158 P CB 1.487 33.186 31.700 -0.002 0.000 0.858 159 I N 1.760 122.319 120.570 -0.018 0.000 2.404 159 I HA 0.497 4.667 4.170 -0.000 0.000 0.293 159 I C 1.022 177.117 176.117 -0.037 0.000 0.992 159 I CA -0.458 60.827 61.300 -0.025 0.000 1.149 159 I CB 1.993 39.977 38.000 -0.027 0.000 1.315 159 I HN 0.328 nan 8.210 nan 0.000 0.446 160 G N 4.407 113.186 108.800 -0.035 0.000 2.471 160 G HA2 0.573 4.533 3.960 -0.000 0.000 0.332 160 G HA3 0.573 4.533 3.960 -0.000 0.000 0.332 160 G C -0.610 174.263 174.900 -0.044 0.000 1.176 160 G CA -0.856 44.216 45.100 -0.046 0.000 0.949 160 G HN 0.518 nan 8.290 nan 0.000 0.488 161 R N -0.186 120.279 120.500 -0.058 0.000 2.370 161 R HA 0.426 4.766 4.340 -0.000 0.000 0.309 161 R C 1.164 177.470 176.300 0.011 0.000 1.059 161 R CA 1.276 57.356 56.100 -0.034 0.000 0.981 161 R CB 0.761 31.016 30.300 -0.076 0.000 0.972 161 R HN 1.053 nan 8.270 nan 0.000 0.437 162 G N 1.752 110.565 108.800 0.021 0.000 2.218 162 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 162 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 162 G C 0.156 175.062 174.900 0.009 0.000 0.994 162 G CA -0.206 44.908 45.100 0.024 0.000 0.637 162 G HN 0.571 nan 8.290 nan 0.000 0.505 163 Q N 0.222 120.021 119.800 -0.001 0.000 2.368 163 Q HA 0.640 4.980 4.340 -0.000 0.000 0.237 163 Q C -0.185 175.811 176.000 -0.008 0.000 0.987 163 Q CA -0.370 55.429 55.803 -0.006 0.000 0.896 163 Q CB 0.388 29.118 28.738 -0.013 0.000 1.241 163 Q HN 0.296 nan 8.270 nan 0.000 0.485 164 R N 2.174 122.668 120.500 -0.010 0.000 2.337 164 R HA 0.298 4.638 4.340 -0.000 0.000 0.319 164 R C -1.432 174.850 176.300 -0.030 0.000 0.954 164 R CA -0.511 55.579 56.100 -0.016 0.000 0.840 164 R CB 1.504 31.795 30.300 -0.015 0.000 1.164 164 R HN 0.436 nan 8.270 nan 0.000 0.472 165 E N 2.693 122.869 120.200 -0.039 0.000 2.155 165 E HA 0.271 4.621 4.350 -0.000 0.000 0.264 165 E C -1.335 175.218 176.600 -0.078 0.000 0.886 165 E CA -0.928 55.438 56.400 -0.056 0.000 0.752 165 E CB 0.898 30.570 29.700 -0.047 0.000 1.133 165 E HN 0.348 nan 8.360 nan 0.000 0.414 166 L N 5.587 126.742 121.223 -0.113 0.000 2.367 166 L HA 0.418 4.758 4.340 -0.000 0.000 0.275 166 L C -0.848 175.919 176.870 -0.171 0.000 1.129 166 L CA 0.233 54.985 54.840 -0.146 0.000 0.839 166 L CB 0.438 42.385 42.059 -0.186 0.000 1.133 166 L HN 0.638 nan 8.230 nan 0.000 0.453 167 I N 6.999 127.489 120.570 -0.132 0.000 2.312 167 I HA 0.404 4.573 4.170 -0.000 0.000 0.290 167 I C -0.281 175.761 176.117 -0.126 0.000 1.008 167 I CA -0.165 61.064 61.300 -0.119 0.000 1.226 167 I CB 1.175 39.138 38.000 -0.062 0.000 1.371 167 I HN 0.572 nan 8.210 nan 0.000 0.468 168 I N 5.426 125.903 120.570 -0.156 0.000 2.619 168 I HA 0.891 5.061 4.170 -0.000 0.000 0.292 168 I C -0.411 175.698 176.117 -0.013 0.000 1.100 168 I CA 0.014 61.247 61.300 -0.112 0.000 1.043 168 I CB 2.023 39.905 38.000 -0.196 0.000 1.239 168 I HN 0.695 nan 8.210 nan 0.000 0.420 169 G N 4.810 113.628 108.800 0.029 0.000 2.316 169 G HA2 0.180 4.140 3.960 -0.000 0.000 0.296 169 G HA3 0.180 4.140 3.960 -0.000 0.000 0.296 169 G C -1.979 172.943 174.900 0.037 0.000 1.399 169 G CA -0.791 44.345 45.100 0.060 0.000 0.833 169 G HN 0.514 nan 8.290 nan 0.000 0.565 170 D N 0.331 120.752 120.400 0.036 0.000 2.363 170 D HA 0.342 4.981 4.640 -0.000 0.000 0.240 170 D C 1.299 177.594 176.300 -0.008 0.000 1.236 170 D CA -0.116 53.898 54.000 0.022 0.000 0.927 170 D CB 0.439 41.255 40.800 0.027 0.000 1.150 170 D HN 0.683 nan 8.370 nan 0.000 0.458 171 R N 0.848 121.345 120.500 -0.005 0.000 2.566 171 R HA -0.099 4.241 4.340 -0.000 0.000 0.273 171 R C -0.182 176.074 176.300 -0.073 0.000 0.981 171 R CA 0.050 56.137 56.100 -0.022 0.000 1.091 171 R CB -0.057 30.241 30.300 -0.005 0.000 0.924 171 R HN 0.261 nan 8.270 nan 0.000 0.411 172 Q N 0.154 119.895 119.800 -0.099 0.000 2.475 172 Q HA -0.164 4.176 4.340 -0.000 0.000 0.280 172 Q C 0.385 176.142 176.000 -0.405 0.000 1.234 172 Q CA 1.796 57.478 55.803 -0.200 0.000 0.873 172 Q CB -1.751 26.887 28.738 -0.168 0.000 1.256 172 Q HN 1.004 nan 8.270 nan 0.000 0.475 173 T N -5.137 109.253 114.554 -0.273 0.000 3.060 173 T HA 0.414 4.764 4.350 -0.000 0.000 0.249 173 T C 1.203 175.829 174.700 -0.123 0.000 1.079 173 T CA 0.816 62.751 62.100 -0.275 0.000 1.013 173 T CB 0.954 69.770 68.868 -0.086 0.000 0.975 173 T HN 0.819 nan 8.240 nan 0.000 0.518 174 G N 1.573 110.321 108.800 -0.088 0.000 2.141 174 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.164 174 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.164 174 G C 0.653 175.565 174.900 0.021 0.000 1.009 174 G CA 0.128 45.243 45.100 0.026 0.000 0.677 174 G HN 0.471 nan 8.290 nan 0.000 0.508 175 K N -0.298 120.104 120.400 0.005 0.000 1.984 175 K HA -0.037 4.283 4.320 -0.000 0.000 0.209 175 K C 2.546 179.165 176.600 0.033 0.000 1.046 175 K CA 1.824 58.118 56.287 0.012 0.000 0.934 175 K CB -0.373 32.128 32.500 0.002 0.000 0.717 175 K HN 0.261 nan 8.250 nan 0.000 0.438 176 T N 1.284 115.869 114.554 0.052 0.000 2.759 176 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 176 T C 2.095 176.835 174.700 0.067 0.000 1.042 176 T CA 1.548 63.705 62.100 0.094 0.000 1.140 176 T CB -0.221 68.714 68.868 0.112 0.000 0.864 176 T HN 0.151 nan 8.240 nan 0.000 0.455 177 S N 1.105 116.828 115.700 0.038 0.000 2.383 177 S HA -0.031 4.439 4.470 -0.000 0.000 0.229 177 S C 2.009 176.608 174.600 -0.001 0.000 1.030 177 S CA 0.906 59.110 58.200 0.007 0.000 1.002 177 S CB -0.433 62.746 63.200 -0.034 0.000 0.829 177 S HN 0.449 nan 8.310 nan 0.000 0.467 178 I N 1.557 122.133 120.570 0.009 0.000 2.226 178 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 178 I C 2.665 178.796 176.117 0.024 0.000 1.100 178 I CA 1.174 62.478 61.300 0.008 0.000 1.374 178 I CB -0.451 37.553 38.000 0.006 0.000 1.057 178 I HN 0.280 nan 8.210 nan 0.000 0.413 179 A N 0.905 123.753 122.820 0.046 0.000 1.898 179 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 179 A C 2.207 179.833 177.584 0.070 0.000 1.181 179 A CA 1.285 53.365 52.037 0.073 0.000 0.620 179 A CB -0.504 18.578 19.000 0.136 0.000 0.819 179 A HN 0.276 nan 8.150 nan 0.000 0.442 180 I N 0.573 121.173 120.570 0.050 0.000 2.202 180 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 180 I C 1.794 177.944 176.117 0.055 0.000 1.091 180 I CA 1.512 62.827 61.300 0.025 0.000 1.368 180 I CB -1.604 36.410 38.000 0.024 0.000 1.058 180 I HN 0.242 nan 8.210 nan 0.000 0.410 181 D N 0.538 120.968 120.400 0.051 0.000 2.144 181 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 181 D C 2.195 178.523 176.300 0.047 0.000 0.984 181 D CA 1.423 55.449 54.000 0.045 0.000 0.834 181 D CB -0.104 40.695 40.800 -0.002 0.000 0.955 181 D HN 0.265 nan 8.370 nan 0.000 0.465 182 T N 0.492 115.074 114.554 0.045 0.000 2.708 182 T HA -0.069 4.280 4.350 -0.000 0.000 0.266 182 T C 2.207 176.954 174.700 0.078 0.000 1.037 182 T CA 0.555 62.686 62.100 0.052 0.000 1.146 182 T CB -0.166 68.725 68.868 0.038 0.000 0.865 182 T HN 0.158 nan 8.240 nan 0.000 0.435 183 I N 0.613 121.238 120.570 0.091 0.000 2.179 183 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 183 I C 2.268 178.511 176.117 0.209 0.000 1.088 183 I CA 1.365 62.755 61.300 0.150 0.000 1.357 183 I CB -0.372 37.692 38.000 0.106 0.000 1.051 183 I HN 0.198 nan 8.210 nan 0.000 0.409 184 I N 0.742 121.390 120.570 0.130 0.000 2.264 184 I HA -0.331 3.839 4.170 -0.000 0.000 0.248 184 I C 2.223 178.400 176.117 0.099 0.000 1.111 184 I CA 1.447 62.822 61.300 0.124 0.000 1.382 184 I CB -0.514 37.534 38.000 0.081 0.000 1.060 184 I HN 0.322 nan 8.210 nan 0.000 0.418 185 N N 0.545 119.281 118.700 0.060 0.000 2.289 185 N HA -0.205 4.535 4.740 -0.000 0.000 0.184 185 N C 1.778 177.242 175.510 -0.078 0.000 1.016 185 N CA 1.130 54.176 53.050 -0.006 0.000 0.872 185 N CB 0.048 38.558 38.487 0.038 0.000 0.973 185 N HN 0.241 nan 8.380 nan 0.000 0.433 186 Q N 0.319 120.116 119.800 -0.004 0.000 2.364 186 Q HA -0.086 4.254 4.340 -0.000 0.000 0.207 186 Q C 1.653 177.442 176.000 -0.352 0.000 0.970 186 Q CA 0.574 56.337 55.803 -0.068 0.000 0.888 186 Q CB -0.223 28.403 28.738 -0.187 0.000 0.951 186 Q HN 0.517 nan 8.270 nan 0.000 0.469 187 K N 1.637 121.886 120.400 -0.250 0.000 2.113 187 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 187 K C 2.047 178.500 176.600 -0.245 0.000 1.047 187 K CA 1.564 57.754 56.287 -0.163 0.000 0.928 187 K CB 0.064 32.620 32.500 0.094 0.000 0.716 187 K HN 0.255 nan 8.250 nan 0.000 0.446 188 R N -0.603 119.659 120.500 -0.396 0.000 2.096 188 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 188 R C 1.978 178.024 176.300 -0.423 0.000 1.127 188 R CA 1.713 57.541 56.100 -0.454 0.000 0.968 188 R CB -0.723 29.217 30.300 -0.600 0.000 0.861 188 R HN 0.160 nan 8.270 nan 0.000 0.440 189 F N 1.582 121.433 119.950 -0.165 0.000 2.149 189 F HA 0.058 4.585 4.527 -0.000 0.000 0.294 189 F C 1.997 177.675 175.800 -0.203 0.000 1.095 189 F CA 0.413 58.308 58.000 -0.176 0.000 1.276 189 F CB -0.371 38.507 39.000 -0.203 0.000 1.023 189 F HN -0.027 nan 8.300 nan 0.000 0.480 190 N N 0.230 118.846 118.700 -0.141 0.000 2.364 190 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 190 N C 0.891 176.341 175.510 -0.101 0.000 1.022 190 N CA 1.155 54.070 53.050 -0.224 0.000 0.883 190 N CB -0.454 37.731 38.487 -0.503 0.000 0.965 190 N HN 0.283 nan 8.380 nan 0.000 0.438 191 D N -0.253 120.098 120.400 -0.083 0.000 2.349 191 D HA 0.082 4.722 4.640 -0.000 0.000 0.215 191 D C 1.240 177.523 176.300 -0.028 0.000 1.016 191 D CA 0.190 54.167 54.000 -0.039 0.000 0.870 191 D CB -0.020 40.753 40.800 -0.045 0.000 0.917 191 D HN 0.135 nan 8.370 nan 0.000 0.524 192 G N -0.093 108.692 108.800 -0.025 0.000 2.535 192 G HA2 0.283 4.243 3.960 -0.000 0.000 0.282 192 G HA3 0.283 4.243 3.960 -0.000 0.000 0.282 192 G C 0.970 175.875 174.900 0.009 0.000 1.350 192 G CA 0.296 45.394 45.100 -0.004 0.000 1.039 192 G HN 0.154 nan 8.290 nan 0.000 0.509 193 T N -3.020 111.543 114.554 0.014 0.000 3.010 193 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 193 T C 0.372 175.085 174.700 0.021 0.000 1.020 193 T CA 0.043 62.154 62.100 0.018 0.000 0.938 193 T CB 0.325 69.201 68.868 0.013 0.000 1.049 193 T HN 0.331 nan 8.240 nan 0.000 0.522 194 D N 2.778 123.192 120.400 0.022 0.000 2.358 194 D HA 0.060 4.700 4.640 -0.000 0.000 0.258 194 D C 0.311 176.622 176.300 0.018 0.000 1.223 194 D CA -0.004 54.006 54.000 0.017 0.000 0.886 194 D CB 0.789 41.597 40.800 0.013 0.000 1.120 194 D HN 0.139 nan 8.370 nan 0.000 0.482 195 E N 3.675 123.890 120.200 0.025 0.000 2.303 195 E HA 0.012 4.362 4.350 -0.000 0.000 0.211 195 E C 0.603 177.237 176.600 0.056 0.000 1.223 195 E CA 0.108 56.535 56.400 0.045 0.000 1.344 195 E CB 0.441 30.169 29.700 0.047 0.000 1.299 195 E HN 0.531 nan 8.360 nan 0.000 0.441 196 K N -0.354 120.062 120.400 0.027 0.000 2.645 196 K HA 0.130 4.449 4.320 -0.000 0.000 0.203 196 K C 1.282 177.816 176.600 -0.110 0.000 1.653 196 K CA -0.072 56.226 56.287 0.018 0.000 1.138 196 K CB 0.632 33.124 32.500 -0.014 0.000 1.515 196 K HN -0.130 nan 8.250 nan 0.000 0.592 197 K N 1.440 121.757 120.400 -0.137 0.000 2.305 197 K HA 0.055 4.375 4.320 -0.000 0.000 0.199 197 K C -0.289 176.144 176.600 -0.278 0.000 1.047 197 K CA 0.312 56.424 56.287 -0.292 0.000 0.976 197 K CB 0.204 32.551 32.500 -0.254 0.000 0.765 197 K HN -0.007 nan 8.250 nan 0.000 0.474 198 K N 1.201 121.527 120.400 -0.124 0.000 2.450 198 K HA -0.212 4.108 4.320 -0.000 0.000 0.248 198 K C -0.257 176.217 176.600 -0.210 0.000 1.056 198 K CA 0.727 56.932 56.287 -0.137 0.000 1.120 198 K CB -0.039 32.499 32.500 0.063 0.000 0.717 198 K HN 0.013 nan 8.250 nan 0.000 0.433 199 L N 3.239 124.227 121.223 -0.392 0.000 2.849 199 L HA 0.218 4.558 4.340 -0.000 0.000 0.256 199 L C -1.677 174.928 176.870 -0.441 0.000 0.951 199 L CA -0.279 54.383 54.840 -0.297 0.000 1.003 199 L CB 0.890 42.830 42.059 -0.199 0.000 1.408 199 L HN 0.493 nan 8.230 nan 0.000 0.463 200 Y N 3.065 123.219 120.300 -0.244 0.000 2.304 200 Y HA 0.537 5.087 4.550 -0.000 0.000 0.328 200 Y C 0.555 176.332 175.900 -0.205 0.000 1.123 200 Y CA -0.056 57.857 58.100 -0.312 0.000 1.218 200 Y CB 1.085 39.008 38.460 -0.895 0.000 1.207 200 Y HN 0.521 nan 8.280 nan 0.000 0.495 201 C N 4.549 123.918 119.300 0.115 0.000 2.411 201 C HA 0.712 5.172 4.460 -0.000 0.000 0.330 201 C C -0.124 174.913 174.990 0.078 0.000 1.224 201 C CA -1.123 57.953 59.018 0.096 0.000 1.770 201 C CB 0.077 27.923 27.740 0.176 0.000 2.297 201 C HN 0.644 nan 8.230 nan 0.000 0.507 202 I N 2.330 122.927 120.570 0.044 0.000 2.478 202 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 202 I C -1.078 175.055 176.117 0.027 0.000 1.042 202 I CA -0.403 60.923 61.300 0.042 0.000 1.067 202 I CB 1.079 39.090 38.000 0.019 0.000 1.233 202 I HN 0.622 nan 8.210 nan 0.000 0.431 203 Y N 7.168 127.438 120.300 -0.051 0.000 2.342 203 Y HA 0.611 5.161 4.550 -0.000 0.000 0.338 203 Y C -0.796 175.078 175.900 -0.043 0.000 0.965 203 Y CA -0.731 57.333 58.100 -0.061 0.000 1.159 203 Y CB 1.188 39.626 38.460 -0.036 0.000 1.157 203 Y HN 0.265 nan 8.280 nan 0.000 0.486 204 V N 6.478 126.097 119.914 -0.491 0.000 2.350 204 V HA 0.621 4.741 4.120 -0.000 0.000 0.276 204 V C 0.067 175.883 176.094 -0.463 0.000 1.028 204 V CA -0.681 61.432 62.300 -0.312 0.000 0.860 204 V CB 0.720 32.476 31.823 -0.111 0.000 0.990 204 V HN 0.921 nan 8.190 nan 0.000 0.453 205 A N 6.774 129.461 122.820 -0.221 0.000 2.252 205 A HA 0.838 5.158 4.320 -0.000 0.000 0.309 205 A C -0.609 176.954 177.584 -0.035 0.000 1.285 205 A CA -0.294 51.684 52.037 -0.097 0.000 0.900 205 A CB 0.035 19.103 19.000 0.114 0.000 1.157 205 A HN 0.755 nan 8.150 nan 0.000 0.536 206 I N 2.090 122.638 120.570 -0.035 0.000 2.410 206 I HA 0.558 4.728 4.170 -0.000 0.000 0.286 206 I C 1.108 177.234 176.117 0.015 0.000 1.009 206 I CA 0.473 61.769 61.300 -0.006 0.000 1.111 206 I CB 1.762 39.754 38.000 -0.014 0.000 1.262 206 I HN 0.976 nan 8.210 nan 0.000 0.443 207 G N 3.604 112.419 108.800 0.025 0.000 2.162 207 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 207 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 207 G C 0.309 175.229 174.900 0.034 0.000 0.976 207 G CA -0.152 44.966 45.100 0.031 0.000 0.655 207 G HN 0.591 nan 8.290 nan 0.000 0.533 208 Q N 0.149 119.973 119.800 0.040 0.000 2.396 208 Q HA 0.460 4.800 4.340 -0.000 0.000 0.221 208 Q C 0.765 176.790 176.000 0.042 0.000 1.025 208 Q CA 0.083 55.915 55.803 0.047 0.000 0.946 208 Q CB 0.539 29.319 28.738 0.069 0.000 1.224 208 Q HN 0.640 nan 8.270 nan 0.000 0.539 209 K N 0.107 120.531 120.400 0.040 0.000 2.185 209 K HA 0.228 4.548 4.320 -0.000 0.000 0.271 209 K C 0.383 177.005 176.600 0.035 0.000 1.013 209 K CA -0.518 55.789 56.287 0.033 0.000 0.943 209 K CB 1.119 33.635 32.500 0.027 0.000 0.998 209 K HN 0.408 nan 8.250 nan 0.000 0.468 210 R N 0.714 121.232 120.500 0.030 0.000 2.117 210 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 210 R C 2.242 178.556 176.300 0.024 0.000 1.143 210 R CA 2.220 58.337 56.100 0.029 0.000 0.968 210 R CB -0.422 29.892 30.300 0.024 0.000 0.863 210 R HN 0.940 nan 8.270 nan 0.000 0.444 211 S N -0.390 115.322 115.700 0.020 0.000 2.402 211 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 211 S C 1.928 176.537 174.600 0.015 0.000 1.021 211 S CA 1.551 59.760 58.200 0.014 0.000 0.974 211 S CB -0.352 62.855 63.200 0.013 0.000 0.800 211 S HN 0.184 nan 8.310 nan 0.000 0.484 212 T N 2.474 117.043 114.554 0.023 0.000 2.708 212 T HA -0.018 4.332 4.350 -0.000 0.000 0.266 212 T C 1.910 176.625 174.700 0.025 0.000 1.037 212 T CA 1.491 63.607 62.100 0.027 0.000 1.146 212 T CB -0.563 68.329 68.868 0.041 0.000 0.865 212 T HN 0.309 nan 8.240 nan 0.000 0.435 213 V N 1.790 121.727 119.914 0.039 0.000 2.343 213 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 213 V C 2.877 178.973 176.094 0.004 0.000 1.051 213 V CA 1.610 63.935 62.300 0.042 0.000 1.036 213 V CB -1.257 30.609 31.823 0.072 0.000 0.654 213 V HN 0.515 nan 8.190 nan 0.000 0.451 214 A N -0.786 122.036 122.820 0.003 0.000 1.902 214 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 214 A C 2.221 179.788 177.584 -0.028 0.000 1.181 214 A CA 1.630 53.660 52.037 -0.011 0.000 0.623 214 A CB -0.457 18.540 19.000 -0.005 0.000 0.818 214 A HN 0.517 nan 8.150 nan 0.000 0.443 215 Q N -0.727 119.058 119.800 -0.025 0.000 2.084 215 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 215 Q C 2.136 178.097 176.000 -0.065 0.000 0.978 215 Q CA 0.929 56.709 55.803 -0.038 0.000 0.844 215 Q CB -0.529 28.197 28.738 -0.020 0.000 0.898 215 Q HN 0.602 nan 8.270 nan 0.000 0.426 216 L N 1.075 122.255 121.223 -0.072 0.000 2.017 216 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 216 L C 2.440 179.218 176.870 -0.153 0.000 1.073 216 L CA 1.884 56.644 54.840 -0.134 0.000 0.745 216 L CB -0.982 40.969 42.059 -0.180 0.000 0.894 216 L HN 0.186 nan 8.230 nan 0.000 0.432 217 V N -2.067 117.779 119.914 -0.115 0.000 2.515 217 V HA -0.201 3.918 4.120 -0.000 0.000 0.250 217 V C 2.620 178.654 176.094 -0.099 0.000 1.058 217 V CA 1.733 63.970 62.300 -0.105 0.000 1.064 217 V CB -0.860 30.924 31.823 -0.064 0.000 0.675 217 V HN 0.313 nan 8.190 nan 0.000 0.461 218 K N 1.511 121.858 120.400 -0.089 0.000 2.032 218 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 218 K C 2.342 178.871 176.600 -0.118 0.000 1.048 218 K CA 2.185 58.418 56.287 -0.089 0.000 0.927 218 K CB -0.583 31.871 32.500 -0.077 0.000 0.712 218 K HN 0.447 nan 8.250 nan 0.000 0.441 219 R N 0.658 121.073 120.500 -0.141 0.000 2.096 219 R HA -0.049 4.291 4.340 -0.000 0.000 0.240 219 R C 2.109 178.313 176.300 -0.160 0.000 1.139 219 R CA 1.922 57.910 56.100 -0.186 0.000 0.952 219 R CB -0.809 29.372 30.300 -0.198 0.000 0.854 219 R HN 0.369 nan 8.270 nan 0.000 0.436 220 L N -0.502 120.631 121.223 -0.149 0.000 2.141 220 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 220 L C 2.156 178.939 176.870 -0.146 0.000 1.094 220 L CA 1.760 56.509 54.840 -0.152 0.000 0.763 220 L CB -0.596 41.358 42.059 -0.175 0.000 0.908 220 L HN 0.296 nan 8.230 nan 0.000 0.437 221 T N -1.165 113.314 114.554 -0.125 0.000 2.737 221 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 221 T C 1.423 176.067 174.700 -0.093 0.000 1.038 221 T CA 1.312 63.350 62.100 -0.104 0.000 1.144 221 T CB -0.206 68.612 68.868 -0.083 0.000 0.866 221 T HN 0.278 nan 8.240 nan 0.000 0.434 222 D N 1.576 121.917 120.400 -0.099 0.000 2.219 222 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 222 D C 2.018 178.268 176.300 -0.084 0.000 0.970 222 D CA 0.850 54.795 54.000 -0.090 0.000 0.851 222 D CB -0.282 40.453 40.800 -0.108 0.000 0.943 222 D HN 0.427 nan 8.370 nan 0.000 0.488 223 A N 0.307 123.072 122.820 -0.092 0.000 2.238 223 A HA -0.008 4.312 4.320 -0.000 0.000 0.208 223 A C 0.511 178.063 177.584 -0.052 0.000 1.177 223 A CA 0.486 52.484 52.037 -0.066 0.000 0.804 223 A CB -0.005 18.960 19.000 -0.058 0.000 0.823 223 A HN 0.048 nan 8.150 nan 0.000 0.482 224 D N -2.993 117.364 120.400 -0.072 0.000 2.800 224 D HA -0.202 4.438 4.640 -0.000 0.000 0.232 224 D C 0.740 176.965 176.300 -0.125 0.000 1.137 224 D CA 1.052 55.012 54.000 -0.068 0.000 0.718 224 D CB -1.273 39.516 40.800 -0.020 0.000 1.084 224 D HN 0.511 nan 8.370 nan 0.000 0.432 225 A N -0.700 121.973 122.820 -0.246 0.000 2.140 225 A HA 0.132 4.451 4.320 -0.000 0.000 0.209 225 A C 2.091 179.201 177.584 -0.790 0.000 1.181 225 A CA 0.470 52.147 52.037 -0.600 0.000 0.824 225 A CB -0.003 18.796 19.000 -0.335 0.000 0.879 225 A HN 0.277 nan 8.150 nan 0.000 0.480 226 M N 1.232 120.598 119.600 -0.390 0.000 2.202 226 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 226 M C 1.999 178.160 176.300 -0.232 0.000 1.063 226 M CA 1.893 57.033 55.300 -0.268 0.000 1.097 226 M CB -1.004 31.508 32.600 -0.147 0.000 1.382 226 M HN 0.703 nan 8.290 nan 0.000 0.413 227 K N 0.324 120.592 120.400 -0.219 0.000 2.281 227 K HA -0.182 4.137 4.320 -0.000 0.000 0.203 227 K C 0.988 177.628 176.600 0.067 0.000 1.046 227 K CA 1.665 57.923 56.287 -0.048 0.000 0.938 227 K CB -0.652 31.861 32.500 0.021 0.000 0.737 227 K HN 0.514 nan 8.250 nan 0.000 0.458 228 Y N -0.582 119.756 120.300 0.062 0.000 2.660 228 Y HA 0.460 5.010 4.550 -0.000 0.000 0.254 228 Y C -0.582 175.372 175.900 0.090 0.000 1.176 228 Y CA -1.080 57.081 58.100 0.102 0.000 1.195 228 Y CB 0.090 38.540 38.460 -0.018 0.000 1.190 228 Y HN -0.214 nan 8.280 nan 0.000 0.535 229 T N 2.706 117.237 114.554 -0.039 0.000 2.841 229 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 229 T C -0.538 174.187 174.700 0.040 0.000 1.000 229 T CA -0.417 61.681 62.100 -0.004 0.000 0.977 229 T CB 1.848 70.638 68.868 -0.129 0.000 0.979 229 T HN 0.139 nan 8.240 nan 0.000 0.446 230 I N 2.559 123.179 120.570 0.083 0.000 2.354 230 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 230 I C -0.376 175.794 176.117 0.089 0.000 0.989 230 I CA -1.003 60.348 61.300 0.085 0.000 1.188 230 I CB 1.542 39.610 38.000 0.114 0.000 1.342 230 I HN 0.249 nan 8.210 nan 0.000 0.457 231 V N 7.451 127.413 119.914 0.081 0.000 2.350 231 V HA 0.295 4.415 4.120 -0.000 0.000 0.276 231 V C 0.054 176.204 176.094 0.093 0.000 1.028 231 V CA -0.600 61.772 62.300 0.119 0.000 0.860 231 V CB 1.530 33.417 31.823 0.108 0.000 0.990 231 V HN 0.406 nan 8.190 nan 0.000 0.453 232 V N 4.213 124.178 119.914 0.086 0.000 2.370 232 V HA 0.566 4.686 4.120 -0.000 0.000 0.283 232 V C 0.129 176.253 176.094 0.051 0.000 1.023 232 V CA -0.129 62.206 62.300 0.057 0.000 0.857 232 V CB 1.679 33.527 31.823 0.043 0.000 0.985 232 V HN 0.830 nan 8.190 nan 0.000 0.443 233 S N 3.728 119.461 115.700 0.054 0.000 2.647 233 S HA 0.784 5.254 4.470 -0.000 0.000 0.300 233 S C -0.433 174.193 174.600 0.042 0.000 1.129 233 S CA -0.172 58.060 58.200 0.054 0.000 1.029 233 S CB 1.271 64.514 63.200 0.072 0.000 1.007 233 S HN 1.091 nan 8.310 nan 0.000 0.484 234 A N 4.166 127.006 122.820 0.033 0.000 2.431 234 A HA 0.641 4.961 4.320 -0.000 0.000 0.318 234 A C 0.412 178.013 177.584 0.028 0.000 1.330 234 A CA -0.620 51.434 52.037 0.029 0.000 0.804 234 A CB 0.158 19.171 19.000 0.022 0.000 1.135 234 A HN 0.834 nan 8.150 nan 0.000 0.483 235 T N -0.889 113.683 114.554 0.031 0.000 2.814 235 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 235 T C 1.587 176.302 174.700 0.026 0.000 0.998 235 T CA 0.054 62.173 62.100 0.032 0.000 0.935 235 T CB 0.954 69.843 68.868 0.034 0.000 1.167 235 T HN 1.060 nan 8.240 nan 0.000 0.545 236 A N 0.731 123.566 122.820 0.026 0.000 1.978 236 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 236 A C 2.452 180.046 177.584 0.016 0.000 1.170 236 A CA 2.085 54.135 52.037 0.022 0.000 0.636 236 A CB -1.375 17.638 19.000 0.023 0.000 0.810 236 A HN 1.098 nan 8.150 nan 0.000 0.448 237 S N -0.703 115.006 115.700 0.016 0.000 2.575 237 S HA 0.081 4.551 4.470 -0.000 0.000 0.215 237 S C -0.144 174.462 174.600 0.010 0.000 0.966 237 S CA -0.163 58.044 58.200 0.012 0.000 0.911 237 S CB -0.256 62.952 63.200 0.013 0.000 0.780 237 S HN 0.371 nan 8.310 nan 0.000 0.514 238 D N 2.980 123.387 120.400 0.011 0.000 2.389 238 D HA 0.542 5.182 4.640 -0.000 0.000 0.247 238 D C 0.342 176.636 176.300 -0.010 0.000 1.128 238 D CA 0.185 54.188 54.000 0.006 0.000 0.884 238 D CB 1.238 42.044 40.800 0.011 0.000 1.194 238 D HN 0.445 nan 8.370 nan 0.000 0.441 239 A N 1.863 124.669 122.820 -0.024 0.000 2.520 239 A HA 0.327 4.647 4.320 -0.000 0.000 0.235 239 A C 1.540 179.078 177.584 -0.077 0.000 1.065 239 A CA 0.403 52.411 52.037 -0.049 0.000 0.764 239 A CB 0.163 19.128 19.000 -0.058 0.000 1.002 239 A HN 0.651 nan 8.150 nan 0.000 0.502 240 A N 3.342 126.126 122.820 -0.060 0.000 1.927 240 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 240 A C -0.124 177.433 177.584 -0.045 0.000 1.185 240 A CA 2.281 54.296 52.037 -0.037 0.000 0.639 240 A CB -1.747 17.233 19.000 -0.033 0.000 0.820 240 A HN 0.661 nan 8.150 nan 0.000 0.451 241 P HA -0.094 nan 4.420 nan 0.000 0.218 241 P C 1.432 178.581 177.300 -0.252 0.000 1.149 241 P CA 0.768 63.727 63.100 -0.236 0.000 0.817 241 P CB -0.155 31.109 31.700 -0.727 0.000 0.785 242 L N -0.840 120.176 121.223 -0.345 0.000 2.056 242 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 242 L C 2.685 179.543 176.870 -0.021 0.000 1.078 242 L CA 1.590 56.335 54.840 -0.158 0.000 0.749 242 L CB -0.989 41.012 42.059 -0.095 0.000 0.901 242 L HN -0.002 nan 8.230 nan 0.000 0.433 243 Q N -1.063 118.741 119.800 0.006 0.000 2.084 243 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 243 Q C 2.139 178.195 176.000 0.092 0.000 0.978 243 Q CA 1.888 57.717 55.803 0.044 0.000 0.844 243 Q CB -0.357 28.411 28.738 0.049 0.000 0.898 243 Q HN 0.486 nan 8.270 nan 0.000 0.426 244 Y N 1.221 121.530 120.300 0.014 0.000 2.165 244 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 244 Y C 1.689 177.674 175.900 0.141 0.000 1.155 244 Y CA 1.426 59.571 58.100 0.076 0.000 1.164 244 Y CB -0.235 38.294 38.460 0.114 0.000 0.978 244 Y HN 0.007 nan 8.280 nan 0.000 0.513 245 L N -0.422 120.734 121.223 -0.110 0.000 2.179 245 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 245 L C 2.802 179.674 176.870 0.003 0.000 1.096 245 L CA 0.746 55.520 54.840 -0.110 0.000 0.779 245 L CB -0.949 41.120 42.059 0.017 0.000 0.922 245 L HN 0.354 nan 8.230 nan 0.000 0.443 246 A N 1.148 123.964 122.820 -0.006 0.000 1.903 246 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 246 A C -0.130 177.446 177.584 -0.012 0.000 1.191 246 A CA 2.074 54.114 52.037 0.006 0.000 0.638 246 A CB -1.856 17.148 19.000 0.006 0.000 0.823 246 A HN 0.284 nan 8.150 nan 0.000 0.451 247 P HA -0.149 nan 4.420 nan 0.000 0.215 247 P C 0.983 178.180 177.300 -0.171 0.000 1.157 247 P CA 1.330 64.323 63.100 -0.178 0.000 0.868 247 P CB -0.243 31.073 31.700 -0.639 0.000 0.788 248 Y N -0.312 119.909 120.300 -0.131 0.000 2.181 248 Y HA -0.163 4.387 4.550 -0.000 0.000 0.288 248 Y C 2.664 178.546 175.900 -0.029 0.000 1.146 248 Y CA 1.400 59.433 58.100 -0.111 0.000 1.164 248 Y CB -1.263 37.074 38.460 -0.204 0.000 0.982 248 Y HN -0.082 nan 8.280 nan 0.000 0.515 249 S N -0.099 115.678 115.700 0.129 0.000 2.359 249 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 249 S C 2.390 177.045 174.600 0.092 0.000 1.035 249 S CA 1.275 59.531 58.200 0.093 0.000 1.018 249 S CB -1.039 62.206 63.200 0.076 0.000 0.876 249 S HN 0.679 nan 8.310 nan 0.000 0.448 250 G N 0.055 108.912 108.800 0.096 0.000 2.418 250 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 250 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 250 G C 1.719 176.690 174.900 0.119 0.000 1.158 250 G CA 1.022 46.180 45.100 0.096 0.000 0.771 250 G HN 0.580 nan 8.290 nan 0.000 0.545 251 C N 0.687 120.086 119.300 0.165 0.000 2.413 251 C HA -0.067 4.392 4.460 -0.000 0.000 0.276 251 C C 3.300 178.372 174.990 0.136 0.000 1.236 251 C CA 1.830 60.950 59.018 0.169 0.000 1.735 251 C CB -0.970 26.872 27.740 0.170 0.000 2.031 251 C HN 0.375 nan 8.230 nan 0.000 0.474 252 S N 0.328 116.100 115.700 0.120 0.000 2.400 252 S HA -0.177 4.293 4.470 -0.000 0.000 0.232 252 S C 1.697 176.366 174.600 0.115 0.000 1.025 252 S CA 1.978 60.239 58.200 0.102 0.000 0.993 252 S CB -0.363 62.883 63.200 0.077 0.000 0.808 252 S HN 0.659 nan 8.310 nan 0.000 0.478 253 M N 0.771 120.444 119.600 0.122 0.000 2.175 253 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 253 M C 2.483 178.956 176.300 0.288 0.000 1.063 253 M CA 1.458 56.847 55.300 0.148 0.000 1.119 253 M CB -0.721 31.960 32.600 0.135 0.000 1.377 253 M HN 0.443 nan 8.290 nan 0.000 0.415 254 G N -0.101 108.860 108.800 0.269 0.000 2.421 254 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 254 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 254 G C 1.317 176.399 174.900 0.304 0.000 1.143 254 G CA 0.429 45.729 45.100 0.335 0.000 0.784 254 G HN 0.473 nan 8.290 nan 0.000 0.541 255 E N -0.617 119.699 120.200 0.194 0.000 2.204 255 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 255 E C 1.895 178.553 176.600 0.097 0.000 0.990 255 E CA 0.574 57.050 56.400 0.127 0.000 0.821 255 E CB -0.203 29.554 29.700 0.094 0.000 0.750 255 E HN 0.631 nan 8.360 nan 0.000 0.477 256 Y N 0.371 120.656 120.300 -0.026 0.000 2.165 256 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 256 Y C 1.626 177.386 175.900 -0.234 0.000 1.155 256 Y CA 1.635 59.624 58.100 -0.185 0.000 1.164 256 Y CB -0.307 37.941 38.460 -0.353 0.000 0.978 256 Y HN -0.058 nan 8.280 nan 0.000 0.513 257 F N 0.050 119.949 119.950 -0.086 0.000 2.163 257 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 257 F C 2.774 178.468 175.800 -0.178 0.000 1.094 257 F CA 1.639 59.529 58.000 -0.182 0.000 1.290 257 F CB -0.680 38.321 39.000 0.002 0.000 1.017 257 F HN -0.118 nan 8.300 nan 0.000 0.483 258 R N 0.668 121.226 120.500 0.096 0.000 2.103 258 R HA -0.188 4.151 4.340 -0.000 0.000 0.242 258 R C 1.084 177.356 176.300 -0.046 0.000 1.142 258 R CA 2.114 58.224 56.100 0.017 0.000 0.960 258 R CB -0.419 29.910 30.300 0.048 0.000 0.858 258 R HN 0.190 nan 8.270 nan 0.000 0.439 259 D N -0.326 120.026 120.400 -0.080 0.000 2.340 259 D HA -0.013 4.627 4.640 -0.000 0.000 0.220 259 D C -0.005 176.208 176.300 -0.145 0.000 1.039 259 D CA 0.556 54.510 54.000 -0.077 0.000 0.866 259 D CB 0.133 40.902 40.800 -0.050 0.000 0.913 259 D HN 0.254 nan 8.370 nan 0.000 0.523 260 N N -0.612 117.942 118.700 -0.243 0.000 2.338 260 N HA 0.278 5.018 4.740 -0.000 0.000 0.251 260 N C 0.809 176.215 175.510 -0.174 0.000 1.199 260 N CA 0.097 52.987 53.050 -0.267 0.000 0.879 260 N CB 1.276 39.457 38.487 -0.509 0.000 1.159 260 N HN 0.004 nan 8.380 nan 0.000 0.514 261 G N 0.161 108.881 108.800 -0.134 0.000 2.153 261 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.252 261 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.252 261 G C 0.060 174.851 174.900 -0.180 0.000 0.994 261 G CA 0.336 45.360 45.100 -0.126 0.000 0.698 261 G HN 0.334 nan 8.290 nan 0.000 0.521 262 K N -0.499 119.799 120.400 -0.170 0.000 2.313 262 K HA 0.666 4.986 4.320 -0.000 0.000 0.235 262 K C -0.457 175.996 176.600 -0.244 0.000 1.035 262 K CA -1.009 55.217 56.287 -0.101 0.000 0.868 262 K CB 1.141 33.766 32.500 0.208 0.000 1.232 262 K HN 0.295 nan 8.250 nan 0.000 0.459 263 H N -0.170 118.997 119.070 0.162 0.000 2.505 263 H HA 0.512 5.068 4.556 -0.000 0.000 0.338 263 H C -1.002 174.357 175.328 0.052 0.000 1.057 263 H CA -0.696 55.396 56.048 0.074 0.000 1.202 263 H CB 1.901 31.658 29.762 -0.008 0.000 1.466 263 H HN 0.663 nan 8.280 nan 0.000 0.499 264 A N 3.150 126.045 122.820 0.125 0.000 2.401 264 A HA 0.534 4.854 4.320 -0.000 0.000 0.310 264 A C -1.280 176.312 177.584 0.015 0.000 1.075 264 A CA -0.695 51.353 52.037 0.018 0.000 0.746 264 A CB 1.828 20.848 19.000 0.033 0.000 1.277 264 A HN 0.468 nan 8.150 nan 0.000 0.425 265 L N 2.149 123.360 121.223 -0.020 0.000 2.333 265 L HA 0.767 5.107 4.340 -0.000 0.000 0.280 265 L C -1.031 175.798 176.870 -0.067 0.000 1.004 265 L CA -0.410 54.409 54.840 -0.034 0.000 0.820 265 L CB 1.169 43.214 42.059 -0.023 0.000 1.247 265 L HN 0.673 nan 8.230 nan 0.000 0.416 266 I N 5.158 125.642 120.570 -0.144 0.000 2.433 266 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 266 I C -1.151 174.699 176.117 -0.445 0.000 1.001 266 I CA -0.566 60.549 61.300 -0.308 0.000 1.119 266 I CB 1.438 39.183 38.000 -0.426 0.000 1.289 266 I HN 0.609 nan 8.210 nan 0.000 0.438 267 I N 7.868 128.179 120.570 -0.431 0.000 2.378 267 I HA 0.266 4.435 4.170 -0.000 0.000 0.291 267 I C -1.152 174.614 176.117 -0.584 0.000 0.992 267 I CA -0.070 60.993 61.300 -0.395 0.000 1.154 267 I CB 1.266 39.189 38.000 -0.129 0.000 1.315 267 I HN 0.346 nan 8.210 nan 0.000 0.448 268 Y N 4.075 124.240 120.300 -0.225 0.000 2.593 268 Y HA 0.371 4.921 4.550 -0.000 0.000 0.331 268 Y C -0.114 175.632 175.900 -0.257 0.000 0.986 268 Y CA -0.723 57.219 58.100 -0.262 0.000 1.262 268 Y CB 0.779 39.093 38.460 -0.244 0.000 1.098 268 Y HN 0.405 nan 8.280 nan 0.000 0.506 269 D N 3.793 124.065 120.400 -0.213 0.000 2.462 269 D HA 0.175 4.815 4.640 -0.000 0.000 0.249 269 D C -1.210 175.031 176.300 -0.098 0.000 1.117 269 D CA -0.368 53.532 54.000 -0.166 0.000 0.900 269 D CB 0.311 40.969 40.800 -0.237 0.000 1.039 269 D HN 0.678 nan 8.370 nan 0.000 0.516 270 D N 0.359 120.730 120.400 -0.047 0.000 2.523 270 D HA 0.237 4.877 4.640 -0.000 0.000 0.236 270 D C 0.905 177.171 176.300 -0.058 0.000 1.094 270 D CA -0.745 53.226 54.000 -0.048 0.000 0.942 270 D CB 1.132 41.915 40.800 -0.029 0.000 1.447 270 D HN 0.069 nan 8.370 nan 0.000 0.479 271 L N 0.255 121.410 121.223 -0.115 0.000 2.395 271 L HA -0.025 4.315 4.340 -0.000 0.000 0.218 271 L C 1.789 178.633 176.870 -0.043 0.000 1.130 271 L CA 0.476 55.208 54.840 -0.181 0.000 0.826 271 L CB -0.354 41.384 42.059 -0.534 0.000 0.941 271 L HN 0.435 nan 8.230 nan 0.000 0.451 272 S N 0.266 115.951 115.700 -0.026 0.000 2.356 272 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 272 S C 1.948 176.601 174.600 0.088 0.000 1.032 272 S CA 1.359 59.582 58.200 0.039 0.000 1.005 272 S CB -0.066 63.153 63.200 0.032 0.000 0.867 272 S HN 0.385 nan 8.310 nan 0.000 0.449 273 K N 0.939 121.376 120.400 0.062 0.000 2.097 273 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 273 K C 2.465 179.123 176.600 0.095 0.000 1.050 273 K CA 0.832 57.163 56.287 0.074 0.000 0.938 273 K CB -0.155 32.373 32.500 0.047 0.000 0.718 273 K HN 0.341 nan 8.250 nan 0.000 0.442 274 Q N 0.611 120.464 119.800 0.088 0.000 2.096 274 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 274 Q C 2.027 178.137 176.000 0.184 0.000 0.982 274 Q CA 1.653 57.528 55.803 0.119 0.000 0.850 274 Q CB -0.079 28.701 28.738 0.070 0.000 0.901 274 Q HN 0.333 nan 8.270 nan 0.000 0.422 275 A N -0.113 122.823 122.820 0.193 0.000 1.933 275 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 275 A C 2.212 180.020 177.584 0.373 0.000 1.175 275 A CA 1.395 53.558 52.037 0.211 0.000 0.628 275 A CB -0.625 18.420 19.000 0.074 0.000 0.814 275 A HN 0.293 nan 8.150 nan 0.000 0.444 276 V N -0.145 119.946 119.914 0.294 0.000 2.343 276 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 276 V C 3.055 179.223 176.094 0.124 0.000 1.051 276 V CA 1.958 64.380 62.300 0.204 0.000 1.036 276 V CB -1.190 30.715 31.823 0.137 0.000 0.654 276 V HN 0.620 nan 8.190 nan 0.000 0.451 277 A N -1.046 121.855 122.820 0.135 0.000 1.902 277 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 277 A C 2.173 179.819 177.584 0.104 0.000 1.181 277 A CA 2.067 54.165 52.037 0.102 0.000 0.623 277 A CB -0.787 18.285 19.000 0.120 0.000 0.818 277 A HN 0.603 nan 8.150 nan 0.000 0.443 278 Y N 0.356 120.674 120.300 0.031 0.000 2.224 278 Y HA -0.179 4.371 4.550 -0.000 0.000 0.289 278 Y C 2.520 178.396 175.900 -0.040 0.000 1.146 278 Y CA 1.958 60.027 58.100 -0.051 0.000 1.182 278 Y CB -0.352 38.108 38.460 0.001 0.000 0.983 278 Y HN 0.341 nan 8.280 nan 0.000 0.524 279 R N 0.220 120.739 120.500 0.033 0.000 2.081 279 R HA -0.244 4.096 4.340 -0.000 0.000 0.235 279 R C 2.441 178.640 176.300 -0.167 0.000 1.131 279 R CA 1.880 57.918 56.100 -0.102 0.000 0.960 279 R CB -0.415 29.771 30.300 -0.191 0.000 0.856 279 R HN 0.538 nan 8.270 nan 0.000 0.436 280 Q N 0.274 120.005 119.800 -0.115 0.000 2.061 280 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 280 Q C 2.061 177.977 176.000 -0.141 0.000 0.984 280 Q CA 2.300 58.038 55.803 -0.108 0.000 0.846 280 Q CB -0.080 28.618 28.738 -0.065 0.000 0.902 280 Q HN 0.422 nan 8.270 nan 0.000 0.421 281 M N -0.260 119.226 119.600 -0.191 0.000 2.086 281 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 281 M C 2.397 178.537 176.300 -0.266 0.000 1.067 281 M CA 1.639 56.803 55.300 -0.226 0.000 1.116 281 M CB -0.077 32.346 32.600 -0.295 0.000 1.348 281 M HN 0.101 nan 8.290 nan 0.000 0.407 282 S N 0.824 116.288 115.700 -0.393 0.000 2.356 282 S HA -0.088 4.382 4.470 -0.000 0.000 0.223 282 S C 1.898 176.389 174.600 -0.183 0.000 1.032 282 S CA 1.227 59.225 58.200 -0.338 0.000 1.005 282 S CB -0.518 62.435 63.200 -0.411 0.000 0.867 282 S HN 0.367 nan 8.310 nan 0.000 0.449 283 L N 0.838 121.966 121.223 -0.159 0.000 2.046 283 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 283 L C 2.162 178.982 176.870 -0.084 0.000 1.077 283 L CA 1.037 55.814 54.840 -0.105 0.000 0.747 283 L CB -0.500 41.497 42.059 -0.103 0.000 0.896 283 L HN 0.276 nan 8.230 nan 0.000 0.432 284 L N -0.720 120.449 121.223 -0.091 0.000 2.291 284 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 284 L C 2.098 178.935 176.870 -0.055 0.000 1.120 284 L CA 0.604 55.405 54.840 -0.065 0.000 0.799 284 L CB -0.163 41.859 42.059 -0.061 0.000 0.925 284 L HN 0.266 nan 8.230 nan 0.000 0.446 285 L N -0.535 120.644 121.223 -0.073 0.000 2.610 285 L HA 0.038 4.378 4.340 -0.000 0.000 0.232 285 L C 0.786 177.630 176.870 -0.043 0.000 1.149 285 L CA 0.185 54.992 54.840 -0.055 0.000 0.872 285 L CB -0.198 41.817 42.059 -0.073 0.000 0.992 285 L HN 0.252 nan 8.230 nan 0.000 0.447 286 R N 0.018 120.490 120.500 -0.047 0.000 3.770 286 R HA -0.164 4.176 4.340 -0.000 0.000 0.305 286 R C 0.015 176.298 176.300 -0.029 0.000 1.184 286 R CA 0.399 56.479 56.100 -0.033 0.000 0.823 286 R CB -1.655 28.633 30.300 -0.020 0.000 1.285 286 R HN 0.417 nan 8.270 nan 0.000 0.499 287 R N 1.071 121.546 120.500 -0.042 0.000 2.594 287 R HA 0.157 4.497 4.340 -0.000 0.000 0.272 287 R C -2.064 174.226 176.300 -0.016 0.000 1.074 287 R CA -1.479 54.604 56.100 -0.028 0.000 1.105 287 R CB 0.197 30.470 30.300 -0.046 0.000 1.008 287 R HN -0.113 nan 8.270 nan 0.000 0.472 288 P HA 0.069 nan 4.420 nan 0.000 0.271 288 P C -2.301 175.014 177.300 0.025 0.000 1.226 288 P CA -0.966 62.141 63.100 0.013 0.000 0.765 288 P CB 0.176 31.888 31.700 0.021 0.000 0.835 289 P HA 0.288 nan 4.420 nan 0.000 0.278 289 P C 0.032 177.368 177.300 0.061 0.000 1.238 289 P CA 0.031 63.151 63.100 0.034 0.000 0.794 289 P CB 1.381 33.084 31.700 0.005 0.000 0.955 290 G N 1.362 110.230 108.800 0.113 0.000 3.212 290 G HA2 0.376 4.336 3.960 -0.000 0.000 0.188 290 G HA3 0.376 4.336 3.960 -0.000 0.000 0.188 290 G C -0.668 174.304 174.900 0.119 0.000 1.254 290 G CA -0.958 44.210 45.100 0.113 0.000 0.957 290 G HN 0.579 nan 8.290 nan 0.000 0.596 291 R N 0.507 121.041 120.500 0.057 0.000 2.523 291 R HA 0.044 4.384 4.340 -0.000 0.000 0.281 291 R C 0.125 176.596 176.300 0.285 0.000 0.969 291 R CA 1.212 57.324 56.100 0.021 0.000 1.093 291 R CB -0.300 29.801 30.300 -0.331 0.000 0.917 291 R HN 0.707 nan 8.270 nan 0.000 0.408 292 E N 2.574 122.898 120.200 0.207 0.000 2.883 292 E HA -0.340 4.010 4.350 -0.000 0.000 0.271 292 E C 0.352 176.984 176.600 0.052 0.000 1.049 292 E CA 0.539 57.071 56.400 0.219 0.000 0.817 292 E CB -1.225 28.739 29.700 0.440 0.000 1.407 292 E HN 0.895 nan 8.360 nan 0.000 0.434 293 A N -2.408 120.440 122.820 0.047 0.000 3.153 293 A HA -0.312 4.008 4.320 -0.000 0.000 0.265 293 A C 0.109 177.643 177.584 -0.083 0.000 1.212 293 A CA 1.758 53.766 52.037 -0.048 0.000 1.018 293 A CB -2.155 16.772 19.000 -0.122 0.000 1.130 293 A HN 0.455 nan 8.150 nan 0.000 0.873 294 Y N 0.676 121.074 120.300 0.164 0.000 2.336 294 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 294 Y C -1.152 174.849 175.900 0.169 0.000 1.211 294 Y CA -1.073 57.115 58.100 0.148 0.000 1.346 294 Y CB 0.448 38.980 38.460 0.119 0.000 1.271 294 Y HN 0.267 nan 8.280 nan 0.000 0.538 295 P HA 0.072 nan 4.420 nan 0.000 0.276 295 P C 0.456 177.916 177.300 0.267 0.000 1.252 295 P CA -0.250 62.974 63.100 0.207 0.000 0.802 295 P CB 0.971 32.747 31.700 0.127 0.000 1.035 296 G N 0.826 109.755 108.800 0.216 0.000 2.535 296 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 296 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 296 G C 0.637 175.675 174.900 0.229 0.000 1.122 296 G CA 0.499 45.728 45.100 0.216 0.000 0.769 296 G HN 0.626 nan 8.290 nan 0.000 0.549 297 D N -0.083 120.473 120.400 0.260 0.000 2.368 297 D HA 0.082 4.722 4.640 -0.000 0.000 0.218 297 D C 1.785 178.253 176.300 0.280 0.000 1.112 297 D CA -0.353 53.842 54.000 0.324 0.000 0.834 297 D CB 0.048 41.084 40.800 0.393 0.000 0.953 297 D HN 0.095 nan 8.370 nan 0.000 0.505 298 V N -0.240 119.792 119.914 0.197 0.000 2.548 298 V HA -0.106 4.014 4.120 -0.000 0.000 0.249 298 V C 1.790 177.811 176.094 -0.123 0.000 1.055 298 V CA 1.141 63.432 62.300 -0.016 0.000 1.065 298 V CB -0.667 31.090 31.823 -0.111 0.000 0.681 298 V HN 0.192 nan 8.190 nan 0.000 0.462 299 F N -0.028 119.877 119.950 -0.076 0.000 2.075 299 F HA -0.220 4.306 4.527 -0.000 0.000 0.297 299 F C 2.221 178.058 175.800 0.063 0.000 1.113 299 F CA 2.426 60.423 58.000 -0.006 0.000 1.218 299 F CB -0.646 38.400 39.000 0.076 0.000 0.984 299 F HN 0.336 nan 8.300 nan 0.000 0.472 300 Y N 0.851 121.251 120.300 0.168 0.000 2.151 300 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 300 Y C 2.208 178.066 175.900 -0.069 0.000 1.166 300 Y CA 1.755 59.901 58.100 0.076 0.000 1.163 300 Y CB -1.088 37.445 38.460 0.122 0.000 0.974 300 Y HN 0.263 nan 8.280 nan 0.000 0.511 301 L N -0.157 120.951 121.223 -0.192 0.000 1.978 301 L HA -0.314 4.026 4.340 -0.000 0.000 0.218 301 L C 2.323 179.038 176.870 -0.258 0.000 1.075 301 L CA 2.618 57.253 54.840 -0.342 0.000 0.767 301 L CB -0.920 40.810 42.059 -0.547 0.000 0.890 301 L HN 0.377 nan 8.230 nan 0.000 0.434 302 H N -1.714 117.179 119.070 -0.294 0.000 2.436 302 H HA -0.045 4.511 4.556 -0.000 0.000 0.294 302 H C 2.368 177.471 175.328 -0.374 0.000 1.048 302 H CA 0.849 56.676 56.048 -0.368 0.000 1.353 302 H CB 0.060 29.593 29.762 -0.381 0.000 1.414 302 H HN 0.573 nan 8.280 nan 0.000 0.536 303 S N 1.007 116.523 115.700 -0.306 0.000 2.383 303 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 303 S C 1.999 176.534 174.600 -0.108 0.000 1.026 303 S CA 0.524 58.566 58.200 -0.263 0.000 0.981 303 S CB -0.080 62.937 63.200 -0.305 0.000 0.818 303 S HN 0.321 nan 8.310 nan 0.000 0.472 304 R N 0.426 120.865 120.500 -0.102 0.000 2.091 304 R HA -0.025 4.315 4.340 -0.000 0.000 0.238 304 R C 2.410 178.699 176.300 -0.019 0.000 1.136 304 R CA 1.540 57.597 56.100 -0.071 0.000 0.959 304 R CB -0.752 29.434 30.300 -0.191 0.000 0.856 304 R HN 0.441 nan 8.270 nan 0.000 0.437 305 L N 0.865 122.058 121.223 -0.051 0.000 2.005 305 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 305 L C 1.958 178.738 176.870 -0.149 0.000 1.072 305 L CA 1.692 56.429 54.840 -0.172 0.000 0.744 305 L CB -0.268 41.460 42.059 -0.551 0.000 0.895 305 L HN 0.103 nan 8.230 nan 0.000 0.433 306 L N -0.899 120.230 121.223 -0.158 0.000 2.395 306 L HA -0.053 4.287 4.340 -0.000 0.000 0.218 306 L C 2.190 179.038 176.870 -0.037 0.000 1.130 306 L CA 0.444 55.228 54.840 -0.094 0.000 0.826 306 L CB -0.261 41.721 42.059 -0.130 0.000 0.941 306 L HN 0.293 nan 8.230 nan 0.000 0.451 307 E N 0.222 120.401 120.200 -0.034 0.000 2.347 307 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 307 E C 2.063 178.664 176.600 0.003 0.000 1.008 307 E CA 0.514 56.909 56.400 -0.008 0.000 0.852 307 E CB 0.166 29.868 29.700 0.003 0.000 0.783 307 E HN 0.247 nan 8.360 nan 0.000 0.505 308 R N -0.094 120.412 120.500 0.010 0.000 2.236 308 R HA 0.165 4.505 4.340 -0.000 0.000 0.208 308 R C 0.440 176.762 176.300 0.036 0.000 1.036 308 R CA 0.480 56.595 56.100 0.025 0.000 1.001 308 R CB 0.102 30.428 30.300 0.043 0.000 0.896 308 R HN -0.010 nan 8.270 nan 0.000 0.464 309 A N 1.262 124.106 122.820 0.040 0.000 2.454 309 A HA 0.551 4.871 4.320 -0.000 0.000 0.260 309 A C -0.209 177.388 177.584 0.020 0.000 1.106 309 A CA 0.160 52.220 52.037 0.038 0.000 0.780 309 A CB 0.284 19.309 19.000 0.041 0.000 1.044 309 A HN 0.305 nan 8.150 nan 0.000 0.498 310 A N 2.435 125.267 122.820 0.020 0.000 2.605 310 A HA 0.672 4.992 4.320 -0.000 0.000 0.294 310 A C -0.767 176.828 177.584 0.018 0.000 1.062 310 A CA -0.769 51.273 52.037 0.008 0.000 0.682 310 A CB 1.112 20.105 19.000 -0.012 0.000 1.278 310 A HN 0.891 nan 8.150 nan 0.000 0.410 311 K N 2.114 122.524 120.400 0.015 0.000 2.240 311 K HA 0.620 4.940 4.320 -0.000 0.000 0.271 311 K C -0.508 176.101 176.600 0.015 0.000 1.018 311 K CA -0.285 56.021 56.287 0.031 0.000 0.874 311 K CB 0.470 32.990 32.500 0.034 0.000 1.098 311 K HN 0.607 nan 8.250 nan 0.000 0.458 312 M N 3.212 122.827 119.600 0.024 0.000 2.274 312 M HA 0.224 4.704 4.480 -0.000 0.000 0.344 312 M C 0.110 176.446 176.300 0.061 0.000 1.161 312 M CA -0.841 54.474 55.300 0.024 0.000 1.126 312 M CB 0.570 33.199 32.600 0.047 0.000 1.522 312 M HN 0.745 nan 8.290 nan 0.000 0.461 313 N N 1.046 119.797 118.700 0.084 0.000 2.399 313 N HA 0.056 4.796 4.740 -0.000 0.000 0.250 313 N C 0.071 175.654 175.510 0.122 0.000 1.272 313 N CA -0.217 52.895 53.050 0.103 0.000 0.928 313 N CB 0.441 38.996 38.487 0.114 0.000 1.158 313 N HN 0.405 nan 8.380 nan 0.000 0.463 314 D N -0.163 120.286 120.400 0.082 0.000 2.182 314 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 314 D C 1.653 177.979 176.300 0.045 0.000 0.986 314 D CA 1.696 55.729 54.000 0.055 0.000 0.847 314 D CB -0.575 40.246 40.800 0.034 0.000 0.942 314 D HN 0.729 nan 8.370 nan 0.000 0.467 315 A N -0.146 122.715 122.820 0.067 0.000 1.972 315 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 315 A C 1.481 178.983 177.584 -0.137 0.000 1.169 315 A CA 0.836 52.863 52.037 -0.018 0.000 0.635 315 A CB -0.580 18.433 19.000 0.022 0.000 0.810 315 A HN 0.184 nan 8.150 nan 0.000 0.446 316 F N -1.041 118.900 119.950 -0.015 0.000 2.668 316 F HA 0.414 4.941 4.527 -0.000 0.000 0.297 316 F C 1.669 177.448 175.800 -0.035 0.000 1.124 316 F CA 0.597 58.584 58.000 -0.022 0.000 1.353 316 F CB 0.573 39.562 39.000 -0.017 0.000 0.992 316 F HN 0.357 nan 8.300 nan 0.000 0.524 317 G N -0.518 108.320 108.800 0.065 0.000 2.259 317 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 317 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 317 G C 1.271 176.174 174.900 0.005 0.000 1.001 317 G CA -0.137 44.970 45.100 0.011 0.000 0.627 317 G HN 1.039 nan 8.290 nan 0.000 0.501 318 G N -0.349 108.474 108.800 0.038 0.000 2.162 318 G HA2 0.181 4.141 3.960 -0.000 0.000 0.260 318 G HA3 0.181 4.141 3.960 -0.000 0.000 0.260 318 G C 1.517 176.403 174.900 -0.023 0.000 0.976 318 G CA 1.100 46.219 45.100 0.032 0.000 0.655 318 G HN 2.125 nan 8.290 nan 0.000 0.533 319 G N -0.382 108.364 108.800 -0.090 0.000 2.651 319 G HA2 0.677 4.637 3.960 -0.000 0.000 0.260 319 G HA3 0.677 4.637 3.960 -0.000 0.000 0.260 319 G C 0.331 175.177 174.900 -0.090 0.000 1.216 319 G CA 1.028 45.992 45.100 -0.228 0.000 0.913 319 G HN 1.849 nan 8.290 nan 0.000 0.535 320 S N -1.474 114.189 115.700 -0.062 0.000 2.556 320 S HA 0.611 5.081 4.470 -0.000 0.000 0.271 320 S C -1.471 173.185 174.600 0.092 0.000 1.135 320 S CA -0.827 57.428 58.200 0.091 0.000 0.858 320 S CB 1.972 65.318 63.200 0.244 0.000 1.114 320 S HN 1.035 nan 8.310 nan 0.000 0.468 321 L N 1.851 123.118 121.223 0.074 0.000 2.376 321 L HA 0.725 5.065 4.340 -0.000 0.000 0.275 321 L C -0.744 176.151 176.870 0.041 0.000 0.987 321 L CA 0.216 55.096 54.840 0.066 0.000 0.828 321 L CB 1.941 44.042 42.059 0.070 0.000 1.249 321 L HN 0.935 nan 8.230 nan 0.000 0.409 322 T N 4.115 118.683 114.554 0.022 0.000 2.829 322 T HA 0.840 5.189 4.350 -0.000 0.000 0.282 322 T C -0.336 174.346 174.700 -0.029 0.000 0.990 322 T CA -0.301 61.798 62.100 -0.002 0.000 1.028 322 T CB 1.489 70.349 68.868 -0.014 0.000 0.951 322 T HN 0.781 nan 8.240 nan 0.000 0.460 323 A N 3.133 125.939 122.820 -0.023 0.000 2.342 323 A HA 0.769 5.089 4.320 -0.000 0.000 0.323 323 A C -0.579 176.975 177.584 -0.049 0.000 1.125 323 A CA -0.772 51.238 52.037 -0.045 0.000 0.785 323 A CB 0.595 19.639 19.000 0.073 0.000 1.221 323 A HN 0.861 nan 8.150 nan 0.000 0.463 324 L N 4.375 125.540 121.223 -0.096 0.000 2.445 324 L HA 0.332 4.672 4.340 -0.000 0.000 0.252 324 L C -2.322 174.516 176.870 -0.054 0.000 1.105 324 L CA -1.747 53.052 54.840 -0.068 0.000 0.943 324 L CB 1.329 43.350 42.059 -0.063 0.000 1.277 324 L HN 0.490 nan 8.230 nan 0.000 0.465 325 P HA 0.133 nan 4.420 nan 0.000 0.274 325 P C -0.521 176.746 177.300 -0.056 0.000 1.231 325 P CA -0.147 62.968 63.100 0.024 0.000 0.790 325 P CB 2.002 33.676 31.700 -0.044 0.000 0.951 326 V N 4.024 123.901 119.914 -0.062 0.000 2.495 326 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 326 V C 0.340 176.381 176.094 -0.087 0.000 1.031 326 V CA -0.590 61.669 62.300 -0.067 0.000 0.871 326 V CB 1.643 33.442 31.823 -0.040 0.000 0.988 326 V HN 0.418 nan 8.190 nan 0.000 0.432 327 I N 3.533 124.054 120.570 -0.082 0.000 2.465 327 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 327 I C 0.017 176.117 176.117 -0.028 0.000 1.014 327 I CA -0.382 60.877 61.300 -0.068 0.000 1.093 327 I CB 2.083 40.035 38.000 -0.080 0.000 1.267 327 I HN 0.755 nan 8.210 nan 0.000 0.431 328 E N 5.064 125.260 120.200 -0.006 0.000 2.146 328 E HA 0.343 4.693 4.350 -0.000 0.000 0.282 328 E C -0.444 176.176 176.600 0.034 0.000 0.989 328 E CA -0.392 56.017 56.400 0.015 0.000 0.799 328 E CB 1.086 30.799 29.700 0.021 0.000 1.088 328 E HN 0.699 nan 8.360 nan 0.000 0.397 329 T N 1.957 116.539 114.554 0.046 0.000 2.902 329 T HA 0.312 4.661 4.350 -0.000 0.000 0.280 329 T C -0.030 174.706 174.700 0.060 0.000 0.992 329 T CA -0.996 61.142 62.100 0.064 0.000 1.015 329 T CB 1.443 70.361 68.868 0.084 0.000 1.044 329 T HN 0.334 nan 8.240 nan 0.000 0.520 330 Q N 0.421 120.261 119.800 0.067 0.000 2.348 330 Q HA 0.536 4.876 4.340 -0.000 0.000 0.265 330 Q C 0.355 176.390 176.000 0.057 0.000 0.998 330 Q CA -0.248 55.591 55.803 0.060 0.000 0.831 330 Q CB 1.296 30.073 28.738 0.066 0.000 1.251 330 Q HN 1.222 nan 8.270 nan 0.000 0.456 331 A N 2.319 125.170 122.820 0.051 0.000 2.640 331 A HA -0.162 4.158 4.320 -0.000 0.000 0.300 331 A C 1.166 178.780 177.584 0.051 0.000 1.499 331 A CA 1.439 53.505 52.037 0.049 0.000 0.759 331 A CB -2.118 16.908 19.000 0.043 0.000 1.048 331 A HN 1.552 nan 8.150 nan 0.000 0.450 332 G N -1.087 107.748 108.800 0.059 0.000 2.166 332 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 332 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 332 G C 0.034 174.972 174.900 0.064 0.000 0.986 332 G CA 0.999 46.138 45.100 0.064 0.000 0.683 332 G HN 1.557 nan 8.290 nan 0.000 0.527 333 D N 0.833 121.273 120.400 0.067 0.000 2.498 333 D HA 0.341 4.981 4.640 -0.000 0.000 0.229 333 D C 1.936 178.290 176.300 0.090 0.000 1.188 333 D CA 0.315 54.356 54.000 0.068 0.000 1.028 333 D CB 0.346 41.186 40.800 0.067 0.000 1.087 333 D HN 0.605 nan 8.370 nan 0.000 0.510 334 V N 0.988 120.961 119.914 0.099 0.000 3.444 334 V HA 0.003 4.122 4.120 -0.000 0.000 0.271 334 V C 1.268 177.438 176.094 0.127 0.000 1.188 334 V CA 0.808 63.196 62.300 0.147 0.000 1.168 334 V CB -0.221 31.728 31.823 0.211 0.000 0.810 334 V HN 0.271 nan 8.190 nan 0.000 0.500 335 S N 0.479 116.236 115.700 0.095 0.000 2.557 335 S HA 0.643 5.113 4.470 -0.000 0.000 0.223 335 S C 1.129 175.791 174.600 0.102 0.000 0.969 335 S CA 0.226 58.481 58.200 0.090 0.000 0.927 335 S CB 0.160 63.396 63.200 0.060 0.000 0.806 335 S HN 0.891 nan 8.310 nan 0.000 0.489 336 A N 0.565 123.453 122.820 0.115 0.000 2.366 336 A HA 0.352 4.672 4.320 -0.000 0.000 0.250 336 A C 0.806 178.510 177.584 0.201 0.000 1.099 336 A CA -0.130 51.992 52.037 0.143 0.000 0.794 336 A CB -0.122 18.959 19.000 0.136 0.000 1.056 336 A HN 0.505 nan 8.150 nan 0.000 0.499 337 Y N -0.113 120.221 120.300 0.056 0.000 2.089 337 Y HA -0.217 4.333 4.550 -0.000 0.000 0.282 337 Y C 1.891 177.786 175.900 -0.009 0.000 1.139 337 Y CA 1.665 59.785 58.100 0.032 0.000 1.123 337 Y CB -0.025 38.461 38.460 0.044 0.000 0.980 337 Y HN 0.510 nan 8.280 nan 0.000 0.493 338 I N 0.510 121.054 120.570 -0.044 0.000 2.202 338 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 338 I C -0.668 175.442 176.117 -0.013 0.000 1.091 338 I CA 1.047 62.249 61.300 -0.163 0.000 1.368 338 I CB -2.921 34.926 38.000 -0.255 0.000 1.058 338 I HN 0.187 nan 8.210 nan 0.000 0.410 339 P HA -0.133 nan 4.420 nan 0.000 0.215 339 P C 1.853 179.209 177.300 0.094 0.000 1.157 339 P CA 1.926 65.061 63.100 0.057 0.000 0.874 339 P CB -0.190 31.565 31.700 0.091 0.000 0.790 340 T N -0.523 114.115 114.554 0.140 0.000 2.665 340 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 340 T C 1.606 176.426 174.700 0.200 0.000 1.035 340 T CA 1.724 63.927 62.100 0.171 0.000 1.151 340 T CB -1.041 67.944 68.868 0.196 0.000 0.862 340 T HN 0.123 nan 8.240 nan 0.000 0.438 341 N N 0.861 119.696 118.700 0.226 0.000 2.025 341 N HA -0.085 4.655 4.740 -0.000 0.000 0.194 341 N C 1.976 177.565 175.510 0.132 0.000 1.044 341 N CA 1.051 54.284 53.050 0.305 0.000 0.851 341 N CB -0.921 37.692 38.487 0.210 0.000 1.036 341 N HN 0.233 nan 8.380 nan 0.000 0.422 342 V N 1.390 121.313 119.914 0.015 0.000 2.548 342 V HA -0.073 4.047 4.120 -0.000 0.000 0.249 342 V C 2.247 178.320 176.094 -0.036 0.000 1.055 342 V CA 0.799 63.048 62.300 -0.084 0.000 1.065 342 V CB -0.411 31.302 31.823 -0.183 0.000 0.681 342 V HN 0.209 nan 8.190 nan 0.000 0.462 343 I N 1.304 121.886 120.570 0.020 0.000 2.163 343 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 343 I C 2.751 178.914 176.117 0.077 0.000 1.085 343 I CA 2.051 63.378 61.300 0.046 0.000 1.347 343 I CB -0.457 37.613 38.000 0.116 0.000 1.044 343 I HN 0.502 nan 8.210 nan 0.000 0.408 344 S N 0.947 116.726 115.700 0.131 0.000 2.383 344 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 344 S C 1.988 176.678 174.600 0.150 0.000 1.026 344 S CA 0.900 59.201 58.200 0.168 0.000 0.981 344 S CB -0.754 62.598 63.200 0.253 0.000 0.818 344 S HN 0.414 nan 8.310 nan 0.000 0.472 345 I N 2.392 123.021 120.570 0.099 0.000 2.252 345 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 345 I C 1.661 177.779 176.117 0.001 0.000 1.102 345 I CA 1.048 62.357 61.300 0.015 0.000 1.385 345 I CB -0.947 36.960 38.000 -0.155 0.000 1.064 345 I HN 0.466 nan 8.210 nan 0.000 0.414 346 T N -1.919 112.626 114.554 -0.015 0.000 2.754 346 T HA 0.066 4.416 4.350 -0.000 0.000 0.286 346 T C 0.552 175.252 174.700 -0.001 0.000 0.997 346 T CA -0.517 61.568 62.100 -0.024 0.000 0.982 346 T CB 0.799 69.636 68.868 -0.053 0.000 1.027 346 T HN 0.061 nan 8.240 nan 0.000 0.529 347 D N 0.077 120.473 120.400 -0.007 0.000 2.339 347 D HA 0.326 4.966 4.640 -0.000 0.000 0.217 347 D C 0.935 177.237 176.300 0.004 0.000 1.050 347 D CA 0.441 54.444 54.000 0.004 0.000 0.856 347 D CB 0.184 40.985 40.800 0.001 0.000 0.922 347 D HN 0.906 nan 8.370 nan 0.000 0.518 348 G N 0.116 108.910 108.800 -0.010 0.000 2.328 348 G HA2 0.331 4.291 3.960 -0.000 0.000 0.299 348 G HA3 0.331 4.291 3.960 -0.000 0.000 0.299 348 G C -1.932 172.923 174.900 -0.075 0.000 1.435 348 G CA -0.862 44.230 45.100 -0.014 0.000 0.865 348 G HN -0.058 nan 8.290 nan 0.000 0.601 349 Q N -0.775 118.957 119.800 -0.113 0.000 2.345 349 Q HA 0.671 5.011 4.340 -0.000 0.000 0.275 349 Q C -0.685 175.134 176.000 -0.302 0.000 1.063 349 Q CA -0.471 55.134 55.803 -0.330 0.000 0.819 349 Q CB 2.780 31.103 28.738 -0.692 0.000 1.356 349 Q HN 0.596 nan 8.270 nan 0.000 0.418 350 I N 2.671 123.056 120.570 -0.308 0.000 2.330 350 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 350 I C -0.894 175.089 176.117 -0.223 0.000 1.025 350 I CA -0.403 60.802 61.300 -0.158 0.000 1.197 350 I CB 0.403 38.358 38.000 -0.074 0.000 1.358 350 I HN 0.468 nan 8.210 nan 0.000 0.467 351 F N 6.804 126.765 119.950 0.018 0.000 2.411 351 F HA 0.430 4.957 4.527 -0.000 0.000 0.355 351 F C 0.176 175.991 175.800 0.025 0.000 1.117 351 F CA -0.388 57.624 58.000 0.020 0.000 1.139 351 F CB 0.707 39.720 39.000 0.022 0.000 1.120 351 F HN 0.177 nan 8.300 nan 0.000 0.493 352 L N 3.672 125.002 121.223 0.179 0.000 2.325 352 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 352 L C -0.506 176.441 176.870 0.127 0.000 1.023 352 L CA -0.735 54.181 54.840 0.127 0.000 0.811 352 L CB 1.861 43.965 42.059 0.075 0.000 1.249 352 L HN 0.573 nan 8.230 nan 0.000 0.431 353 E N 0.261 120.530 120.200 0.115 0.000 2.293 353 E HA 0.266 4.615 4.350 -0.000 0.000 0.270 353 E C -0.184 176.482 176.600 0.109 0.000 0.879 353 E CA -0.484 55.978 56.400 0.104 0.000 0.756 353 E CB 2.504 32.262 29.700 0.098 0.000 1.208 353 E HN 0.544 nan 8.360 nan 0.000 0.428 354 T N 1.233 115.848 114.554 0.101 0.000 2.737 354 T HA -0.214 4.136 4.350 -0.000 0.000 0.265 354 T C 1.595 176.437 174.700 0.237 0.000 1.038 354 T CA 1.644 63.826 62.100 0.136 0.000 1.144 354 T CB -0.111 68.852 68.868 0.158 0.000 0.866 354 T HN 0.703 nan 8.240 nan 0.000 0.434 355 E N 1.074 121.390 120.200 0.193 0.000 2.170 355 E HA -0.269 4.081 4.350 -0.000 0.000 0.229 355 E C 1.957 178.662 176.600 0.175 0.000 1.074 355 E CA 1.877 58.381 56.400 0.174 0.000 0.930 355 E CB -0.572 29.194 29.700 0.111 0.000 0.806 355 E HN 0.471 nan 8.360 nan 0.000 0.478 356 L N -0.736 120.570 121.223 0.140 0.000 2.044 356 L HA -0.070 4.269 4.340 -0.000 0.000 0.205 356 L C 2.537 179.458 176.870 0.086 0.000 1.075 356 L CA 1.113 56.015 54.840 0.103 0.000 0.747 356 L CB -0.518 41.594 42.059 0.089 0.000 0.903 356 L HN 0.243 nan 8.230 nan 0.000 0.435 357 F N 0.215 120.124 119.950 -0.069 0.000 2.065 357 F HA -0.341 4.186 4.527 -0.000 0.000 0.298 357 F C 2.251 177.913 175.800 -0.230 0.000 1.112 357 F CA 1.885 59.759 58.000 -0.210 0.000 1.212 357 F CB -0.328 38.440 39.000 -0.388 0.000 0.975 357 F HN -0.039 nan 8.300 nan 0.000 0.476 358 Y N -0.464 119.988 120.300 0.253 0.000 2.516 358 Y HA -0.017 4.533 4.550 -0.000 0.000 0.291 358 Y C 2.127 178.057 175.900 0.051 0.000 1.131 358 Y CA 0.575 58.764 58.100 0.150 0.000 1.281 358 Y CB -0.283 38.283 38.460 0.178 0.000 1.013 358 Y HN -0.044 nan 8.280 nan 0.000 0.554 359 K N -0.438 120.056 120.400 0.158 0.000 2.365 359 K HA 0.011 4.331 4.320 -0.000 0.000 0.199 359 K C 1.462 178.078 176.600 0.026 0.000 1.045 359 K CA 0.905 57.246 56.287 0.089 0.000 0.962 359 K CB -0.097 32.452 32.500 0.080 0.000 0.759 359 K HN 0.464 nan 8.250 nan 0.000 0.469 360 G N 0.627 109.402 108.800 -0.042 0.000 2.201 360 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.212 360 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.212 360 G C 0.015 174.844 174.900 -0.119 0.000 0.994 360 G CA -0.452 44.590 45.100 -0.096 0.000 0.644 360 G HN 0.089 nan 8.290 nan 0.000 0.508 361 I N 2.267 122.784 120.570 -0.089 0.000 2.357 361 I HA 0.322 4.492 4.170 -0.000 0.000 0.300 361 I C 0.711 176.749 176.117 -0.132 0.000 1.159 361 I CA 0.431 61.691 61.300 -0.068 0.000 1.339 361 I CB -0.709 37.288 38.000 -0.005 0.000 1.458 361 I HN 0.158 nan 8.210 nan 0.000 0.577 362 R N 7.349 127.749 120.500 -0.166 0.000 2.483 362 R HA 0.407 4.747 4.340 -0.000 0.000 0.303 362 R C -2.544 173.693 176.300 -0.106 0.000 0.987 362 R CA -1.656 54.324 56.100 -0.199 0.000 0.881 362 R CB 2.410 32.477 30.300 -0.388 0.000 1.177 362 R HN 0.252 nan 8.270 nan 0.000 0.451 363 P HA -0.010 nan 4.420 nan 0.000 0.268 363 P C -0.288 177.020 177.300 0.014 0.000 1.205 363 P CA -0.084 63.010 63.100 -0.011 0.000 0.771 363 P CB 0.899 32.600 31.700 0.001 0.000 0.858 364 A N 4.297 127.161 122.820 0.074 0.000 2.916 364 A HA 0.196 4.516 4.320 -0.000 0.000 0.254 364 A C 0.722 178.362 177.584 0.093 0.000 1.544 364 A CA -0.358 51.738 52.037 0.098 0.000 1.224 364 A CB -1.445 17.678 19.000 0.206 0.000 1.012 364 A HN 0.477 nan 8.150 nan 0.000 0.636 365 I N 1.049 121.662 120.570 0.072 0.000 2.416 365 I HA 0.035 4.205 4.170 -0.000 0.000 0.288 365 I C 0.498 176.670 176.117 0.092 0.000 1.051 365 I CA -0.441 60.910 61.300 0.085 0.000 1.375 365 I CB 0.636 38.675 38.000 0.064 0.000 1.407 365 I HN 0.294 nan 8.210 nan 0.000 0.516 366 N N 6.492 125.264 118.700 0.121 0.000 2.402 366 N HA 0.045 4.785 4.740 -0.000 0.000 0.259 366 N C 0.712 176.285 175.510 0.105 0.000 1.167 366 N CA 0.131 53.240 53.050 0.100 0.000 0.949 366 N CB 1.249 39.787 38.487 0.085 0.000 1.212 366 N HN 0.435 nan 8.380 nan 0.000 0.493 367 V N 3.497 123.458 119.914 0.080 0.000 2.515 367 V HA -0.115 4.005 4.120 -0.000 0.000 0.250 367 V C 2.211 178.345 176.094 0.066 0.000 1.058 367 V CA 2.139 64.484 62.300 0.074 0.000 1.064 367 V CB -0.705 31.155 31.823 0.063 0.000 0.675 367 V HN 0.757 nan 8.190 nan 0.000 0.461 368 G N -0.730 108.099 108.800 0.048 0.000 2.422 368 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 368 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 368 G C 1.512 176.421 174.900 0.016 0.000 1.140 368 G CA 0.585 45.700 45.100 0.025 0.000 0.775 368 G HN 0.471 nan 8.290 nan 0.000 0.545 369 L N 0.498 121.727 121.223 0.010 0.000 2.354 369 L HA 0.176 4.516 4.340 -0.000 0.000 0.212 369 L C 1.073 178.043 176.870 0.166 0.000 1.091 369 L CA -0.095 54.718 54.840 -0.045 0.000 0.828 369 L CB -0.048 41.831 42.059 -0.300 0.000 0.973 369 L HN 0.029 nan 8.230 nan 0.000 0.461 370 S N -0.008 115.861 115.700 0.282 0.000 2.572 370 S HA 0.306 4.775 4.470 -0.000 0.000 0.279 370 S C -0.269 174.446 174.600 0.191 0.000 1.341 370 S CA -0.139 58.268 58.200 0.346 0.000 1.043 370 S CB 2.139 65.468 63.200 0.216 0.000 0.887 370 S HN 0.032 nan 8.310 nan 0.000 0.516 371 V N 1.821 121.828 119.914 0.155 0.000 3.012 371 V HA 0.752 4.872 4.120 -0.000 0.000 0.307 371 V C -1.086 175.039 176.094 0.051 0.000 1.166 371 V CA -0.498 61.860 62.300 0.096 0.000 0.974 371 V CB 2.568 34.456 31.823 0.109 0.000 1.040 371 V HN 0.813 nan 8.190 nan 0.000 0.428 372 S N 5.158 120.880 115.700 0.037 0.000 2.756 372 S HA 0.512 4.982 4.470 -0.000 0.000 0.303 372 S C 0.565 175.178 174.600 0.022 0.000 1.135 372 S CA -0.659 57.554 58.200 0.020 0.000 1.066 372 S CB 1.416 64.623 63.200 0.011 0.000 1.008 372 S HN 0.788 nan 8.310 nan 0.000 0.482 373 R N 2.909 123.422 120.500 0.021 0.000 2.235 373 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 373 R C 1.525 177.834 176.300 0.015 0.000 1.059 373 R CA 0.923 57.036 56.100 0.022 0.000 0.997 373 R CB -0.196 30.119 30.300 0.025 0.000 0.884 373 R HN 0.568 nan 8.270 nan 0.000 0.462 374 V N 0.175 120.094 119.914 0.009 0.000 2.453 374 V HA -0.053 4.066 4.120 -0.000 0.000 0.247 374 V C 1.754 177.851 176.094 0.004 0.000 1.048 374 V CA 1.482 63.785 62.300 0.004 0.000 1.049 374 V CB -0.800 31.023 31.823 -0.002 0.000 0.672 374 V HN 0.664 nan 8.190 nan 0.000 0.457 375 G N 0.426 109.229 108.800 0.006 0.000 2.611 375 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.301 375 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.301 375 G C 1.146 176.048 174.900 0.003 0.000 1.233 375 G CA 0.703 45.808 45.100 0.008 0.000 0.993 375 G HN 0.381 nan 8.290 nan 0.000 0.553 376 S N 0.793 116.496 115.700 0.005 0.000 2.419 376 S HA 0.010 4.480 4.470 -0.000 0.000 0.235 376 S C 2.746 177.344 174.600 -0.003 0.000 1.019 376 S CA 2.031 60.233 58.200 0.002 0.000 0.982 376 S CB -0.604 62.599 63.200 0.005 0.000 0.789 376 S HN 1.604 nan 8.310 nan 0.000 0.490 377 A N 0.774 123.592 122.820 -0.003 0.000 2.076 377 A HA 0.147 4.467 4.320 -0.000 0.000 0.220 377 A C 1.951 179.525 177.584 -0.016 0.000 1.160 377 A CA 1.495 53.528 52.037 -0.008 0.000 0.653 377 A CB -0.494 18.504 19.000 -0.004 0.000 0.801 377 A HN 0.513 nan 8.150 nan 0.000 0.455 378 A N -1.484 121.325 122.820 -0.018 0.000 2.387 378 A HA 0.372 4.692 4.320 -0.000 0.000 0.234 378 A C 0.693 178.258 177.584 -0.033 0.000 1.253 378 A CA -0.201 51.818 52.037 -0.029 0.000 0.894 378 A CB 0.055 19.039 19.000 -0.027 0.000 0.963 378 A HN 0.583 nan 8.150 nan 0.000 0.508 379 Q N 0.451 120.238 119.800 -0.023 0.000 2.301 379 Q HA 0.452 4.792 4.340 -0.000 0.000 0.267 379 Q C -0.135 175.852 176.000 -0.021 0.000 1.035 379 Q CA -0.557 55.234 55.803 -0.019 0.000 0.856 379 Q CB 1.743 30.477 28.738 -0.007 0.000 1.337 379 Q HN 0.457 nan 8.270 nan 0.000 0.450 380 T N -1.540 113.002 114.554 -0.021 0.000 2.868 380 T HA 0.228 4.578 4.350 -0.000 0.000 0.292 380 T C 0.929 175.624 174.700 -0.009 0.000 1.028 380 T CA -0.518 61.571 62.100 -0.019 0.000 1.059 380 T CB 0.994 69.851 68.868 -0.018 0.000 0.991 380 T HN 0.572 nan 8.240 nan 0.000 0.531 381 R N 0.724 121.218 120.500 -0.009 0.000 2.105 381 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 381 R C 2.772 179.072 176.300 0.001 0.000 1.135 381 R CA 1.422 57.520 56.100 -0.004 0.000 0.967 381 R CB -0.895 29.402 30.300 -0.005 0.000 0.861 381 R HN 0.849 nan 8.270 nan 0.000 0.442 382 A N 0.702 123.522 122.820 -0.001 0.000 1.908 382 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 382 A C 2.080 179.672 177.584 0.012 0.000 1.181 382 A CA 1.603 53.641 52.037 0.001 0.000 0.627 382 A CB -0.375 18.623 19.000 -0.004 0.000 0.818 382 A HN 0.240 nan 8.150 nan 0.000 0.445 383 M N -0.405 119.202 119.600 0.012 0.000 2.200 383 M HA 0.028 4.508 4.480 -0.000 0.000 0.265 383 M C 1.827 178.138 176.300 0.019 0.000 1.066 383 M CA 1.792 57.103 55.300 0.018 0.000 1.127 383 M CB -0.438 32.170 32.600 0.013 0.000 1.379 383 M HN 0.356 nan 8.290 nan 0.000 0.420 384 K N -0.172 120.236 120.400 0.013 0.000 2.280 384 K HA -0.198 4.122 4.320 -0.000 0.000 0.202 384 K C 1.801 178.413 176.600 0.019 0.000 1.047 384 K CA 1.511 57.805 56.287 0.013 0.000 0.942 384 K CB -0.058 32.447 32.500 0.007 0.000 0.739 384 K HN 0.708 nan 8.250 nan 0.000 0.457 385 Q N -0.314 119.500 119.800 0.023 0.000 2.451 385 Q HA -0.046 4.294 4.340 -0.000 0.000 0.206 385 Q C 1.255 177.283 176.000 0.045 0.000 0.947 385 Q CA 0.944 56.765 55.803 0.031 0.000 0.937 385 Q CB 0.463 29.219 28.738 0.029 0.000 1.025 385 Q HN 0.203 nan 8.270 nan 0.000 0.511 386 V N -5.075 114.867 119.914 0.047 0.000 3.431 386 V HA 0.483 4.603 4.120 -0.000 0.000 0.255 386 V C 2.087 178.205 176.094 0.039 0.000 1.403 386 V CA 0.292 62.626 62.300 0.058 0.000 1.101 386 V CB -0.138 31.737 31.823 0.088 0.000 0.891 386 V HN 0.204 nan 8.190 nan 0.000 0.446 387 A N 1.791 124.630 122.820 0.032 0.000 1.969 387 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 387 A C 2.222 179.819 177.584 0.021 0.000 1.169 387 A CA 1.999 54.051 52.037 0.025 0.000 0.635 387 A CB -1.209 17.804 19.000 0.022 0.000 0.810 387 A HN 0.742 nan 8.150 nan 0.000 0.445 388 G N -0.734 108.079 108.800 0.020 0.000 2.414 388 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 388 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 388 G C 1.587 176.496 174.900 0.015 0.000 1.188 388 G CA 1.628 46.738 45.100 0.017 0.000 0.783 388 G HN 0.428 nan 8.290 nan 0.000 0.537 389 T N 1.032 115.595 114.554 0.014 0.000 2.684 389 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 389 T C 2.294 176.996 174.700 0.002 0.000 1.036 389 T CA 1.432 63.536 62.100 0.007 0.000 1.148 389 T CB -0.230 68.641 68.868 0.004 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.436 390 M N 0.748 120.351 119.600 0.005 0.000 2.117 390 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 390 M C 2.407 178.713 176.300 0.009 0.000 1.065 390 M CA 1.637 56.937 55.300 0.001 0.000 1.114 390 M CB -0.173 32.430 32.600 0.005 0.000 1.361 390 M HN 0.100 nan 8.290 nan 0.000 0.408 391 K N 0.034 120.444 120.400 0.016 0.000 2.057 391 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 391 K C 1.868 178.483 176.600 0.025 0.000 1.049 391 K CA 1.346 57.647 56.287 0.023 0.000 0.931 391 K CB -0.184 32.330 32.500 0.023 0.000 0.714 391 K HN 0.287 nan 8.250 nan 0.000 0.440 392 L N 1.686 122.920 121.223 0.019 0.000 2.072 392 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 392 L C 1.689 178.573 176.870 0.024 0.000 1.079 392 L CA 1.753 56.605 54.840 0.019 0.000 0.752 392 L CB -0.260 41.806 42.059 0.013 0.000 0.906 392 L HN 0.172 nan 8.230 nan 0.000 0.436 393 E N -0.734 119.476 120.200 0.017 0.000 2.150 393 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 393 E C 2.236 178.870 176.600 0.056 0.000 0.985 393 E CA 1.152 57.564 56.400 0.020 0.000 0.814 393 E CB -0.142 29.550 29.700 -0.013 0.000 0.752 393 E HN 0.484 nan 8.360 nan 0.000 0.466 394 L N 0.286 121.544 121.223 0.058 0.000 2.156 394 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 394 L C 2.483 179.438 176.870 0.141 0.000 1.095 394 L CA 0.659 55.572 54.840 0.122 0.000 0.770 394 L CB -0.283 41.825 42.059 0.082 0.000 0.914 394 L HN 0.135 nan 8.230 nan 0.000 0.439 395 A N -0.307 122.558 122.820 0.074 0.000 1.898 395 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 395 A C 2.204 179.806 177.584 0.031 0.000 1.181 395 A CA 1.388 53.450 52.037 0.043 0.000 0.620 395 A CB -0.392 18.624 19.000 0.028 0.000 0.819 395 A HN 0.433 nan 8.150 nan 0.000 0.442 396 Q N -2.042 117.786 119.800 0.046 0.000 2.167 396 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 396 Q C 1.942 177.970 176.000 0.047 0.000 0.970 396 Q CA 1.704 57.529 55.803 0.038 0.000 0.855 396 Q CB -0.335 28.427 28.738 0.041 0.000 0.911 396 Q HN 0.878 nan 8.270 nan 0.000 0.438 397 Y N 0.944 121.220 120.300 -0.041 0.000 2.242 397 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 397 Y C 1.995 177.846 175.900 -0.082 0.000 1.137 397 Y CA 1.266 59.330 58.100 -0.060 0.000 1.181 397 Y CB 0.027 38.456 38.460 -0.051 0.000 0.989 397 Y HN -0.152 nan 8.280 nan 0.000 0.527 398 R N 0.451 120.786 120.500 -0.275 0.000 2.152 398 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 398 R C 2.013 178.134 176.300 -0.300 0.000 1.117 398 R CA 1.579 57.466 56.100 -0.356 0.000 0.981 398 R CB -0.119 30.100 30.300 -0.134 0.000 0.870 398 R HN 0.561 nan 8.270 nan 0.000 0.451 399 E N -0.499 119.579 120.200 -0.202 0.000 2.208 399 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 399 E C 1.380 177.841 176.600 -0.232 0.000 0.988 399 E CA 1.082 57.394 56.400 -0.146 0.000 0.828 399 E CB 0.349 30.014 29.700 -0.058 0.000 0.763 399 E HN 0.171 nan 8.360 nan 0.000 0.478 400 V N 0.145 119.834 119.914 -0.374 0.000 3.661 400 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 400 V C 1.957 177.484 176.094 -0.946 0.000 1.315 400 V CA 0.754 62.675 62.300 -0.630 0.000 1.072 400 V CB 0.524 32.187 31.823 -0.267 0.000 0.830 400 V HN 0.176 nan 8.190 nan 0.000 0.443 401 A N 0.990 123.353 122.820 -0.762 0.000 2.024 401 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 401 A C 2.376 179.692 177.584 -0.445 0.000 1.164 401 A CA 1.995 53.614 52.037 -0.697 0.000 0.643 401 A CB -0.474 17.936 19.000 -0.984 0.000 0.806 401 A HN 0.578 nan 8.150 nan 0.000 0.451 402 A N -0.108 122.431 122.820 -0.468 0.000 1.933 402 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 402 A C 1.321 178.889 177.584 -0.027 0.000 1.175 402 A CA 1.335 53.250 52.037 -0.202 0.000 0.628 402 A CB -0.730 18.206 19.000 -0.107 0.000 0.814 402 A HN 1.001 nan 8.150 nan 0.000 0.444 403 F N -2.737 117.247 119.950 0.057 0.000 2.983 403 F HA 0.734 5.261 4.527 -0.000 0.000 0.307 403 F C 1.328 177.219 175.800 0.152 0.000 1.218 403 F CA -0.602 57.497 58.000 0.165 0.000 1.323 403 F CB -0.646 38.419 39.000 0.109 0.000 0.989 403 F HN 0.077 nan 8.300 nan 0.000 0.509 404 A N 0.267 123.132 122.820 0.074 0.000 2.014 404 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 404 A C 1.960 179.607 177.584 0.105 0.000 1.163 404 A CA 1.145 53.228 52.037 0.078 0.000 0.652 404 A CB -0.311 18.726 19.000 0.061 0.000 0.808 404 A HN 0.632 nan 8.150 nan 0.000 0.449 405 Q N -2.311 117.564 119.800 0.123 0.000 2.247 405 Q HA 0.283 4.623 4.340 -0.000 0.000 0.211 405 Q C -0.748 175.086 176.000 -0.277 0.000 0.861 405 Q CA -0.075 55.685 55.803 -0.072 0.000 0.949 405 Q CB 0.451 29.105 28.738 -0.141 0.000 1.115 405 Q HN 0.640 nan 8.270 nan 0.000 0.507 406 F N -0.025 119.997 119.950 0.120 0.000 2.761 406 F HA 0.437 4.964 4.527 -0.000 0.000 0.367 406 F C 0.459 176.332 175.800 0.122 0.000 1.386 406 F CA -0.640 57.428 58.000 0.113 0.000 1.177 406 F CB 1.784 40.858 39.000 0.123 0.000 1.092 406 F HN -0.092 nan 8.300 nan 0.000 0.517 407 G N -0.321 108.603 108.800 0.207 0.000 4.101 407 G HA2 0.193 4.153 3.960 -0.000 0.000 0.262 407 G HA3 0.193 4.153 3.960 -0.000 0.000 0.262 407 G C 0.537 175.493 174.900 0.093 0.000 1.181 407 G CA -0.100 45.099 45.100 0.166 0.000 0.640 407 G HN 0.237 nan 8.290 nan 0.000 0.467 408 S N -1.046 114.686 115.700 0.054 0.000 2.496 408 S HA 0.041 4.511 4.470 -0.000 0.000 0.224 408 S C 0.839 175.455 174.600 0.026 0.000 0.996 408 S CA 0.869 59.085 58.200 0.028 0.000 0.927 408 S CB 0.372 63.576 63.200 0.007 0.000 0.774 408 S HN 0.228 nan 8.310 nan 0.000 0.524 409 D N 1.122 121.540 120.400 0.029 0.000 2.469 409 D HA 0.266 4.906 4.640 -0.000 0.000 0.215 409 D C 0.091 176.404 176.300 0.021 0.000 1.154 409 D CA -0.132 53.880 54.000 0.019 0.000 0.832 409 D CB 0.662 41.469 40.800 0.012 0.000 1.008 409 D HN 0.440 nan 8.370 nan 0.000 0.506 410 L N 0.644 121.889 121.223 0.036 0.000 2.464 410 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 410 L C 0.518 177.412 176.870 0.040 0.000 1.199 410 L CA -0.858 54.005 54.840 0.039 0.000 0.818 410 L CB 0.165 42.266 42.059 0.070 0.000 1.102 410 L HN -0.193 nan 8.230 nan 0.000 0.473 411 D N 1.287 121.708 120.400 0.034 0.000 2.362 411 D HA 0.089 4.729 4.640 -0.000 0.000 0.238 411 D C 1.023 177.343 176.300 0.033 0.000 1.212 411 D CA 0.202 54.219 54.000 0.028 0.000 0.902 411 D CB 1.022 41.835 40.800 0.022 0.000 1.180 411 D HN 0.828 nan 8.370 nan 0.000 0.445 412 A N 1.345 124.178 122.820 0.022 0.000 1.978 412 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 412 A C 2.237 179.833 177.584 0.021 0.000 1.170 412 A CA 2.408 54.456 52.037 0.018 0.000 0.636 412 A CB -1.015 17.990 19.000 0.008 0.000 0.810 412 A HN 0.747 nan 8.150 nan 0.000 0.448 413 A N -0.208 122.625 122.820 0.023 0.000 1.877 413 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 413 A C 2.390 179.997 177.584 0.037 0.000 1.186 413 A CA 2.514 54.566 52.037 0.024 0.000 0.620 413 A CB -1.320 17.693 19.000 0.022 0.000 0.822 413 A HN 0.731 nan 8.150 nan 0.000 0.443 414 T N -2.716 111.871 114.554 0.056 0.000 3.023 414 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 414 T C 1.803 176.553 174.700 0.082 0.000 1.093 414 T CA 1.154 63.304 62.100 0.082 0.000 1.129 414 T CB -0.172 68.773 68.868 0.128 0.000 0.899 414 T HN 0.553 nan 8.240 nan 0.000 0.491 415 Q N 0.408 120.247 119.800 0.065 0.000 2.119 415 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 415 Q C 2.468 178.488 176.000 0.033 0.000 0.972 415 Q CA 1.291 57.126 55.803 0.053 0.000 0.847 415 Q CB -0.145 28.616 28.738 0.038 0.000 0.903 415 Q HN 0.455 nan 8.270 nan 0.000 0.433 416 Q N 0.694 120.507 119.800 0.022 0.000 2.123 416 Q HA -0.076 4.264 4.340 -0.000 0.000 0.199 416 Q C 1.741 177.745 176.000 0.007 0.000 0.966 416 Q CA 1.229 57.033 55.803 0.001 0.000 0.845 416 Q CB -0.124 28.609 28.738 -0.008 0.000 0.907 416 Q HN 0.377 nan 8.270 nan 0.000 0.439 417 L N -0.394 120.850 121.223 0.034 0.000 2.083 417 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 417 L C 2.247 179.183 176.870 0.110 0.000 1.083 417 L CA 0.970 55.846 54.840 0.061 0.000 0.752 417 L CB -0.422 41.681 42.059 0.074 0.000 0.899 417 L HN 0.274 nan 8.230 nan 0.000 0.433 418 L N -1.443 119.851 121.223 0.119 0.000 2.109 418 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 418 L C 2.705 179.590 176.870 0.027 0.000 1.086 418 L CA 0.831 55.774 54.840 0.171 0.000 0.760 418 L CB -0.385 41.753 42.059 0.131 0.000 0.910 418 L HN 0.138 nan 8.230 nan 0.000 0.437 419 S N -0.451 115.244 115.700 -0.008 0.000 2.368 419 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 419 S C 2.069 176.604 174.600 -0.109 0.000 1.029 419 S CA 1.192 59.359 58.200 -0.056 0.000 0.988 419 S CB -0.142 63.032 63.200 -0.042 0.000 0.838 419 S HN 0.244 nan 8.310 nan 0.000 0.462 420 R N 1.513 121.949 120.500 -0.105 0.000 2.092 420 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 420 R C 2.107 178.269 176.300 -0.231 0.000 1.119 420 R CA 1.703 57.719 56.100 -0.139 0.000 0.970 420 R CB -1.273 28.967 30.300 -0.100 0.000 0.864 420 R HN 0.351 nan 8.270 nan 0.000 0.440 421 G N 0.221 108.828 108.800 -0.322 0.000 2.639 421 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 421 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 421 G C 1.485 175.810 174.900 -0.957 0.000 1.267 421 G CA 1.428 45.995 45.100 -0.889 0.000 0.801 421 G HN 0.323 nan 8.290 nan 0.000 0.592 422 V N 0.710 120.209 119.914 -0.692 0.000 2.313 422 V HA -0.375 3.745 4.120 -0.000 0.000 0.261 422 V C 2.861 178.815 176.094 -0.233 0.000 1.096 422 V CA 3.323 65.432 62.300 -0.319 0.000 1.090 422 V CB -0.376 31.361 31.823 -0.144 0.000 0.683 422 V HN 0.425 nan 8.190 nan 0.000 0.452 423 R N -0.763 119.599 120.500 -0.230 0.000 2.066 423 R HA 0.258 4.598 4.340 -0.000 0.000 0.224 423 R C 2.208 178.420 176.300 -0.147 0.000 1.122 423 R CA 1.693 57.695 56.100 -0.164 0.000 0.974 423 R CB -0.589 29.617 30.300 -0.157 0.000 0.871 423 R HN 0.592 nan 8.270 nan 0.000 0.435 424 L N -0.200 120.919 121.223 -0.174 0.000 2.141 424 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 424 L C 1.898 178.706 176.870 -0.104 0.000 1.094 424 L CA 1.403 56.167 54.840 -0.126 0.000 0.763 424 L CB -0.588 41.396 42.059 -0.125 0.000 0.908 424 L HN 0.254 nan 8.230 nan 0.000 0.437 425 T N -0.968 113.498 114.554 -0.148 0.000 2.746 425 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 425 T C 1.772 176.438 174.700 -0.057 0.000 1.039 425 T CA 1.063 63.107 62.100 -0.093 0.000 1.142 425 T CB -0.099 68.701 68.868 -0.114 0.000 0.866 425 T HN 0.275 nan 8.240 nan 0.000 0.444 426 E N 1.157 121.317 120.200 -0.066 0.000 2.150 426 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 426 E C 2.134 178.724 176.600 -0.017 0.000 0.985 426 E CA 0.645 57.024 56.400 -0.035 0.000 0.814 426 E CB -0.333 29.346 29.700 -0.035 0.000 0.752 426 E HN 0.484 nan 8.360 nan 0.000 0.466 427 L N 0.263 121.473 121.223 -0.023 0.000 2.478 427 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 427 L C 2.084 178.956 176.870 0.003 0.000 1.140 427 L CA 0.246 55.086 54.840 0.001 0.000 0.842 427 L CB -0.109 41.948 42.059 -0.005 0.000 0.953 427 L HN 0.045 nan 8.230 nan 0.000 0.452 428 L N -0.806 120.412 121.223 -0.008 0.000 2.567 428 L HA 0.056 4.396 4.340 -0.000 0.000 0.225 428 L C 0.807 177.672 176.870 -0.008 0.000 1.119 428 L CA 0.113 54.951 54.840 -0.003 0.000 0.871 428 L CB -0.025 42.033 42.059 -0.001 0.000 1.036 428 L HN 0.110 nan 8.230 nan 0.000 0.459 429 K N 1.128 121.519 120.400 -0.014 0.000 2.295 429 K HA 0.260 4.580 4.320 -0.000 0.000 0.270 429 K C -0.226 176.360 176.600 -0.023 0.000 1.011 429 K CA 0.180 56.451 56.287 -0.027 0.000 0.953 429 K CB 0.848 33.331 32.500 -0.029 0.000 0.956 429 K HN -0.041 nan 8.250 nan 0.000 0.477 430 Q N 0.391 120.166 119.800 -0.041 0.000 2.352 430 Q HA 0.293 4.633 4.340 -0.000 0.000 0.270 430 Q C -0.768 175.193 176.000 -0.065 0.000 1.006 430 Q CA -0.593 55.187 55.803 -0.040 0.000 0.880 430 Q CB 1.781 30.499 28.738 -0.033 0.000 1.392 430 Q HN 0.814 nan 8.270 nan 0.000 0.401 431 G N 1.509 110.274 108.800 -0.058 0.000 2.684 431 G HA2 0.144 4.104 3.960 -0.000 0.000 0.255 431 G HA3 0.144 4.104 3.960 -0.000 0.000 0.255 431 G C -0.679 174.142 174.900 -0.131 0.000 1.219 431 G CA -0.125 44.928 45.100 -0.079 0.000 0.901 431 G HN 0.590 nan 8.290 nan 0.000 0.548 432 Q N -1.416 118.253 119.800 -0.218 0.000 2.214 432 Q HA 0.409 4.749 4.340 -0.000 0.000 0.251 432 Q C -0.454 175.320 176.000 -0.376 0.000 0.936 432 Q CA -0.635 54.873 55.803 -0.491 0.000 0.894 432 Q CB 0.723 28.917 28.738 -0.907 0.000 1.252 432 Q HN 0.668 nan 8.270 nan 0.000 0.448 433 Y N -0.758 119.538 120.300 -0.007 0.000 4.907 433 Y HA -0.296 4.254 4.550 -0.000 0.000 0.246 433 Y C 0.050 175.939 175.900 -0.018 0.000 0.968 433 Y CA 0.505 58.597 58.100 -0.014 0.000 1.961 433 Y CB -2.009 36.442 38.460 -0.016 0.000 1.487 433 Y HN 0.497 nan 8.280 nan 0.000 0.575 434 S N -0.567 115.171 115.700 0.063 0.000 2.128 434 S HA 0.450 4.920 4.470 -0.000 0.000 0.157 434 S C -2.236 172.362 174.600 -0.003 0.000 1.650 434 S CA -1.161 57.055 58.200 0.028 0.000 1.269 434 S CB 1.053 64.264 63.200 0.018 0.000 1.227 434 S HN 0.097 nan 8.310 nan 0.000 0.405 435 P HA 0.196 nan 4.420 nan 0.000 0.267 435 P C -0.580 176.703 177.300 -0.027 0.000 1.200 435 P CA -0.064 63.029 63.100 -0.012 0.000 0.772 435 P CB 0.497 32.196 31.700 -0.001 0.000 0.855 436 M N 1.572 121.159 119.600 -0.022 0.000 2.363 436 M HA 0.464 4.944 4.480 -0.000 0.000 0.343 436 M C 0.551 176.834 176.300 -0.028 0.000 1.165 436 M CA -0.780 54.502 55.300 -0.030 0.000 1.046 436 M CB 1.773 34.362 32.600 -0.017 0.000 1.648 436 M HN 0.345 nan 8.290 nan 0.000 0.452 437 A N 1.958 124.748 122.820 -0.050 0.000 2.483 437 A HA 0.106 4.426 4.320 -0.000 0.000 0.238 437 A C 1.041 178.623 177.584 -0.004 0.000 1.070 437 A CA -0.287 51.727 52.037 -0.039 0.000 0.770 437 A CB -0.016 18.944 19.000 -0.067 0.000 1.008 437 A HN 0.980 nan 8.150 nan 0.000 0.497 438 I N 0.935 121.521 120.570 0.028 0.000 2.248 438 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 438 I C 2.517 178.641 176.117 0.013 0.000 1.107 438 I CA 2.412 63.730 61.300 0.029 0.000 1.373 438 I CB -0.205 37.820 38.000 0.041 0.000 1.055 438 I HN 0.866 nan 8.210 nan 0.000 0.418 439 E N 0.235 120.434 120.200 -0.001 0.000 2.208 439 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 439 E C 1.749 178.339 176.600 -0.016 0.000 0.988 439 E CA 1.425 57.816 56.400 -0.014 0.000 0.828 439 E CB -0.604 29.079 29.700 -0.029 0.000 0.763 439 E HN 0.643 nan 8.360 nan 0.000 0.478 440 E N 0.890 121.077 120.200 -0.022 0.000 2.107 440 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 440 E C 2.316 178.928 176.600 0.019 0.000 0.982 440 E CA 0.922 57.308 56.400 -0.023 0.000 0.809 440 E CB -0.013 29.658 29.700 -0.049 0.000 0.756 440 E HN 0.376 nan 8.360 nan 0.000 0.459 441 Q N 0.371 120.184 119.800 0.022 0.000 2.020 441 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 441 Q C 2.617 178.655 176.000 0.064 0.000 0.982 441 Q CA 2.006 57.832 55.803 0.039 0.000 0.838 441 Q CB -0.307 28.449 28.738 0.030 0.000 0.899 441 Q HN 0.338 nan 8.270 nan 0.000 0.423 442 V N -1.863 118.085 119.914 0.057 0.000 2.626 442 V HA -0.076 4.044 4.120 -0.000 0.000 0.252 442 V C 2.111 178.283 176.094 0.129 0.000 1.067 442 V CA 1.578 63.925 62.300 0.078 0.000 1.081 442 V CB -1.051 30.800 31.823 0.046 0.000 0.686 442 V HN 0.274 nan 8.190 nan 0.000 0.468 443 A N 0.436 123.324 122.820 0.113 0.000 1.969 443 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 443 A C 2.464 180.239 177.584 0.317 0.000 1.169 443 A CA 2.005 54.152 52.037 0.182 0.000 0.635 443 A CB -0.657 18.413 19.000 0.117 0.000 0.810 443 A HN 0.801 nan 8.150 nan 0.000 0.445 444 V N -0.375 119.685 119.914 0.244 0.000 2.407 444 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 444 V C 2.123 178.297 176.094 0.134 0.000 1.041 444 V CA 1.806 64.227 62.300 0.201 0.000 1.040 444 V CB -0.395 31.530 31.823 0.170 0.000 0.671 444 V HN 0.512 nan 8.190 nan 0.000 0.455 445 I N -0.131 120.516 120.570 0.127 0.000 2.286 445 I HA -0.198 3.971 4.170 -0.000 0.000 0.248 445 I C 2.471 178.653 176.117 0.109 0.000 1.115 445 I CA 2.356 63.710 61.300 0.090 0.000 1.392 445 I CB -0.547 37.499 38.000 0.075 0.000 1.065 445 I HN 0.609 nan 8.210 nan 0.000 0.418 446 Y N 1.920 122.250 120.300 0.051 0.000 2.181 446 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 446 Y C 2.462 178.430 175.900 0.113 0.000 1.146 446 Y CA 1.340 59.482 58.100 0.069 0.000 1.164 446 Y CB -0.381 38.126 38.460 0.078 0.000 0.982 446 Y HN 0.073 nan 8.280 nan 0.000 0.515 447 A N 0.580 123.342 122.820 -0.097 0.000 1.933 447 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 447 A C 2.398 179.917 177.584 -0.108 0.000 1.175 447 A CA 1.679 53.640 52.037 -0.128 0.000 0.628 447 A CB -1.612 17.362 19.000 -0.043 0.000 0.814 447 A HN 0.642 nan 8.150 nan 0.000 0.444 448 G N -1.059 107.678 108.800 -0.106 0.000 2.396 448 G HA2 0.036 3.996 3.960 -0.000 0.000 0.214 448 G HA3 0.036 3.996 3.960 -0.000 0.000 0.214 448 G C 1.485 176.287 174.900 -0.164 0.000 1.166 448 G CA 0.967 45.991 45.100 -0.126 0.000 0.793 448 G HN 0.265 nan 8.290 nan 0.000 0.533 449 V N 0.599 120.426 119.914 -0.145 0.000 2.307 449 V HA -0.065 4.055 4.120 -0.000 0.000 0.245 449 V C 2.666 178.633 176.094 -0.212 0.000 1.045 449 V CA 1.466 63.686 62.300 -0.134 0.000 1.024 449 V CB -0.327 31.462 31.823 -0.057 0.000 0.651 449 V HN 0.256 nan 8.190 nan 0.000 0.449 450 R N -0.037 120.259 120.500 -0.339 0.000 2.319 450 R HA 0.174 4.514 4.340 -0.000 0.000 0.204 450 R C 0.963 176.826 176.300 -0.728 0.000 0.954 450 R CA 0.615 56.434 56.100 -0.469 0.000 1.066 450 R CB -0.225 29.774 30.300 -0.501 0.000 0.991 450 R HN 0.584 nan 8.270 nan 0.000 0.486 451 G N 0.839 109.300 108.800 -0.564 0.000 2.587 451 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.245 451 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.245 451 G C -0.261 174.226 174.900 -0.688 0.000 0.959 451 G CA -0.284 44.519 45.100 -0.495 0.000 1.268 451 G HN 0.514 nan 8.290 nan 0.000 0.448 452 Y N -0.092 120.087 120.300 -0.202 0.000 2.666 452 Y HA 0.323 4.873 4.550 -0.000 0.000 0.260 452 Y C 1.899 177.675 175.900 -0.207 0.000 1.089 452 Y CA -0.276 57.713 58.100 -0.184 0.000 1.246 452 Y CB 0.720 39.061 38.460 -0.199 0.000 1.353 452 Y HN 0.403 nan 8.280 nan 0.000 0.558 453 L N -0.728 120.424 121.223 -0.118 0.000 3.016 453 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 453 L C 0.186 176.956 176.870 -0.166 0.000 1.182 453 L CA 0.094 54.811 54.840 -0.206 0.000 0.997 453 L CB 0.313 42.203 42.059 -0.282 0.000 1.354 453 L HN 0.036 nan 8.230 nan 0.000 0.569 454 D N 0.823 121.142 120.400 -0.135 0.000 2.263 454 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 454 D C 1.523 177.769 176.300 -0.091 0.000 0.971 454 D CA 0.978 54.909 54.000 -0.115 0.000 0.867 454 D CB 0.102 40.835 40.800 -0.111 0.000 0.929 454 D HN 0.096 nan 8.370 nan 0.000 0.492 455 K N -0.408 119.941 120.400 -0.085 0.000 2.374 455 K HA 0.233 4.553 4.320 -0.000 0.000 0.196 455 K C -0.259 176.300 176.600 -0.068 0.000 1.023 455 K CA -0.273 55.976 56.287 -0.063 0.000 1.103 455 K CB 0.464 32.937 32.500 -0.046 0.000 0.848 455 K HN 0.069 nan 8.250 nan 0.000 0.528 456 L N 1.746 122.909 121.223 -0.101 0.000 2.292 456 L HA 0.221 4.561 4.340 -0.000 0.000 0.284 456 L C -0.302 176.525 176.870 -0.071 0.000 1.065 456 L CA -0.627 54.152 54.840 -0.101 0.000 0.806 456 L CB 0.944 42.880 42.059 -0.205 0.000 1.175 456 L HN 0.014 nan 8.230 nan 0.000 0.431 457 E N 7.766 127.947 120.200 -0.032 0.000 2.585 457 E HA -0.002 4.348 4.350 -0.000 0.000 0.252 457 E C -1.854 174.739 176.600 -0.012 0.000 0.981 457 E CA -0.832 55.558 56.400 -0.017 0.000 0.943 457 E CB 0.635 30.335 29.700 0.000 0.000 0.923 457 E HN 0.469 nan 8.360 nan 0.000 0.486 458 P HA -0.330 nan 4.420 nan 0.000 0.219 458 P C 1.083 178.387 177.300 0.007 0.000 1.161 458 P CA 2.384 65.471 63.100 -0.022 0.000 0.909 458 P CB -0.267 31.421 31.700 -0.020 0.000 0.793 459 S N -1.152 114.561 115.700 0.021 0.000 2.500 459 S HA -0.107 4.363 4.470 -0.000 0.000 0.239 459 S C 1.566 176.215 174.600 0.081 0.000 0.989 459 S CA 1.004 59.228 58.200 0.040 0.000 0.951 459 S CB -0.846 62.372 63.200 0.031 0.000 0.759 459 S HN 0.278 nan 8.310 nan 0.000 0.523 460 K N 0.222 120.689 120.400 0.110 0.000 2.367 460 K HA 0.382 4.702 4.320 -0.000 0.000 0.194 460 K C 1.487 178.252 176.600 0.275 0.000 1.027 460 K CA 0.122 56.553 56.287 0.239 0.000 1.075 460 K CB -0.057 32.614 32.500 0.285 0.000 0.845 460 K HN 0.383 nan 8.250 nan 0.000 0.529 461 I N 1.707 122.357 120.570 0.132 0.000 2.226 461 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 461 I C 2.533 178.747 176.117 0.162 0.000 1.100 461 I CA 1.644 63.007 61.300 0.104 0.000 1.374 461 I CB -0.674 37.330 38.000 0.007 0.000 1.057 461 I HN 0.266 nan 8.210 nan 0.000 0.413 462 T N -1.124 113.499 114.554 0.115 0.000 2.746 462 T HA -0.259 4.091 4.350 -0.000 0.000 0.267 462 T C 1.904 176.665 174.700 0.102 0.000 1.039 462 T CA 1.306 63.459 62.100 0.089 0.000 1.142 462 T CB -0.325 68.577 68.868 0.057 0.000 0.866 462 T HN 0.275 nan 8.240 nan 0.000 0.444 463 K N -0.289 120.212 120.400 0.169 0.000 2.228 463 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 463 K C 1.985 178.597 176.600 0.019 0.000 1.051 463 K CA 0.585 57.006 56.287 0.223 0.000 0.960 463 K CB -0.257 32.494 32.500 0.420 0.000 0.743 463 K HN 0.436 nan 8.250 nan 0.000 0.458 464 F N 2.008 121.730 119.950 -0.379 0.000 2.102 464 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 464 F C 2.131 177.747 175.800 -0.305 0.000 1.105 464 F CA 1.686 59.151 58.000 -0.891 0.000 1.239 464 F CB -0.192 38.471 39.000 -0.563 0.000 0.991 464 F HN 0.066 nan 8.300 nan 0.000 0.474 465 E N 0.148 120.247 120.200 -0.167 0.000 2.077 465 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 465 E C 2.007 178.528 176.600 -0.132 0.000 0.989 465 E CA 1.382 57.695 56.400 -0.145 0.000 0.800 465 E CB -0.388 29.348 29.700 0.060 0.000 0.746 465 E HN 0.523 nan 8.360 nan 0.000 0.452 466 N N 0.143 118.795 118.700 -0.080 0.000 2.069 466 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 466 N C 1.615 177.091 175.510 -0.057 0.000 1.031 466 N CA 1.978 55.003 53.050 -0.043 0.000 0.852 466 N CB -0.196 38.299 38.487 0.013 0.000 1.018 466 N HN 0.205 nan 8.380 nan 0.000 0.423 467 A N -0.608 122.176 122.820 -0.061 0.000 1.897 467 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 467 A C 2.122 179.685 177.584 -0.036 0.000 1.181 467 A CA 1.077 53.157 52.037 0.071 0.000 0.620 467 A CB -1.072 18.057 19.000 0.215 0.000 0.821 467 A HN 0.498 nan 8.150 nan 0.000 0.443 468 F N 0.132 119.702 119.950 -0.633 0.000 2.102 468 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 468 F C 1.789 177.274 175.800 -0.525 0.000 1.105 468 F CA 1.677 59.016 58.000 -1.103 0.000 1.239 468 F CB -0.360 37.789 39.000 -1.419 0.000 0.991 468 F HN 0.170 nan 8.300 nan 0.000 0.474 469 L N 0.003 120.943 121.223 -0.473 0.000 2.056 469 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 469 L C 2.536 179.215 176.870 -0.318 0.000 1.078 469 L CA 1.980 56.569 54.840 -0.420 0.000 0.749 469 L CB -1.049 40.902 42.059 -0.181 0.000 0.901 469 L HN 0.121 nan 8.230 nan 0.000 0.433 470 S N -1.615 113.971 115.700 -0.189 0.000 2.383 470 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 470 S C 1.944 176.487 174.600 -0.094 0.000 1.030 470 S CA 1.485 59.624 58.200 -0.103 0.000 1.002 470 S CB -0.586 62.600 63.200 -0.023 0.000 0.829 470 S HN 0.669 nan 8.310 nan 0.000 0.467 471 H N 1.678 120.612 119.070 -0.227 0.000 2.357 471 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 471 H C 2.020 177.217 175.328 -0.218 0.000 1.082 471 H CA 1.870 57.813 56.048 -0.174 0.000 1.342 471 H CB -0.413 29.273 29.762 -0.127 0.000 1.389 471 H HN 0.245 nan 8.280 nan 0.000 0.511 472 V N -1.142 118.449 119.914 -0.539 0.000 2.453 472 V HA -0.098 4.022 4.120 -0.000 0.000 0.247 472 V C 2.478 178.384 176.094 -0.314 0.000 1.048 472 V CA 1.704 63.721 62.300 -0.471 0.000 1.049 472 V CB -0.840 30.602 31.823 -0.635 0.000 0.672 472 V HN 0.391 nan 8.190 nan 0.000 0.457 473 I N 1.159 121.559 120.570 -0.282 0.000 2.163 473 I HA -0.236 3.933 4.170 -0.000 0.000 0.243 473 I C 2.939 178.951 176.117 -0.176 0.000 1.085 473 I CA 2.212 63.395 61.300 -0.195 0.000 1.347 473 I CB -0.432 37.472 38.000 -0.159 0.000 1.044 473 I HN 0.447 nan 8.210 nan 0.000 0.408 474 S N -0.474 115.117 115.700 -0.182 0.000 2.387 474 S HA -0.130 4.340 4.470 -0.000 0.000 0.226 474 S C 1.923 176.397 174.600 -0.211 0.000 1.026 474 S CA 1.152 59.259 58.200 -0.155 0.000 0.972 474 S CB 0.094 63.233 63.200 -0.101 0.000 0.814 474 S HN 0.368 nan 8.310 nan 0.000 0.477 475 Q N -0.536 119.057 119.800 -0.346 0.000 2.391 475 Q HA 0.206 4.546 4.340 -0.000 0.000 0.243 475 Q C -0.008 175.595 176.000 -0.662 0.000 0.874 475 Q CA 0.595 56.090 55.803 -0.513 0.000 0.950 475 Q CB 0.166 28.502 28.738 -0.669 0.000 1.103 475 Q HN 0.691 nan 8.270 nan 0.000 0.544 476 H N -0.009 118.895 119.070 -0.277 0.000 2.500 476 H HA 0.206 4.762 4.556 -0.000 0.000 0.243 476 H C 0.875 176.094 175.328 -0.182 0.000 1.318 476 H CA -0.129 55.788 56.048 -0.218 0.000 1.077 476 H CB 0.860 30.473 29.762 -0.248 0.000 1.748 476 H HN -0.034 nan 8.280 nan 0.000 0.556 477 Q N 1.192 120.934 119.800 -0.097 0.000 2.167 477 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 477 Q C 2.201 178.166 176.000 -0.059 0.000 0.970 477 Q CA 1.391 57.143 55.803 -0.085 0.000 0.855 477 Q CB 0.052 28.735 28.738 -0.092 0.000 0.911 477 Q HN 0.647 nan 8.270 nan 0.000 0.438 478 A N 0.250 123.043 122.820 -0.045 0.000 1.940 478 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 478 A C 2.021 179.589 177.584 -0.027 0.000 1.176 478 A CA 1.291 53.309 52.037 -0.030 0.000 0.631 478 A CB -0.760 18.228 19.000 -0.019 0.000 0.814 478 A HN 0.503 nan 8.150 nan 0.000 0.446 479 L N -0.670 120.542 121.223 -0.018 0.000 2.027 479 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 479 L C 2.449 179.281 176.870 -0.063 0.000 1.074 479 L CA 1.433 56.247 54.840 -0.044 0.000 0.745 479 L CB -0.317 41.706 42.059 -0.059 0.000 0.898 479 L HN 0.425 nan 8.230 nan 0.000 0.433 480 L N -0.725 120.459 121.223 -0.066 0.000 2.141 480 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 480 L C 2.590 179.426 176.870 -0.057 0.000 1.094 480 L CA 1.140 55.937 54.840 -0.071 0.000 0.763 480 L CB -1.003 41.005 42.059 -0.084 0.000 0.908 480 L HN 0.330 nan 8.230 nan 0.000 0.437 481 G N -0.009 108.761 108.800 -0.051 0.000 2.422 481 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 481 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 481 G C 1.683 176.560 174.900 -0.038 0.000 1.146 481 G CA 0.463 45.538 45.100 -0.042 0.000 0.769 481 G HN 0.294 nan 8.290 nan 0.000 0.547 482 K N -0.094 120.281 120.400 -0.042 0.000 2.147 482 K HA 0.041 4.361 4.320 -0.000 0.000 0.205 482 K C 2.285 178.857 176.600 -0.046 0.000 1.049 482 K CA 0.854 57.116 56.287 -0.041 0.000 0.936 482 K CB -0.184 32.289 32.500 -0.045 0.000 0.722 482 K HN 0.376 nan 8.250 nan 0.000 0.446 483 I N 0.070 120.607 120.570 -0.054 0.000 2.761 483 I HA -0.162 4.008 4.170 -0.000 0.000 0.261 483 I C 2.457 178.552 176.117 -0.037 0.000 1.198 483 I CA 0.731 61.998 61.300 -0.055 0.000 1.482 483 I CB -0.091 37.868 38.000 -0.068 0.000 1.100 483 I HN 0.094 nan 8.210 nan 0.000 0.445 484 R N 0.690 121.170 120.500 -0.032 0.000 2.087 484 R HA -0.034 4.306 4.340 -0.000 0.000 0.216 484 R C 2.226 178.515 176.300 -0.018 0.000 1.114 484 R CA 1.360 57.448 56.100 -0.021 0.000 1.002 484 R CB -0.144 30.145 30.300 -0.019 0.000 0.903 484 R HN 0.137 nan 8.270 nan 0.000 0.445 485 T N 0.753 115.295 114.554 -0.021 0.000 2.788 485 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 485 T C 0.555 175.245 174.700 -0.017 0.000 1.044 485 T CA 1.684 63.774 62.100 -0.018 0.000 1.139 485 T CB -0.153 68.704 68.868 -0.019 0.000 0.867 485 T HN 0.335 nan 8.240 nan 0.000 0.454 486 D N 0.008 120.395 120.400 -0.021 0.000 2.367 486 D HA 0.300 4.940 4.640 -0.000 0.000 0.207 486 D C 1.481 177.770 176.300 -0.019 0.000 1.034 486 D CA 0.544 54.532 54.000 -0.020 0.000 0.861 486 D CB -0.185 40.601 40.800 -0.024 0.000 0.943 486 D HN 0.394 nan 8.370 nan 0.000 0.515 487 G N 1.228 110.016 108.800 -0.020 0.000 2.198 487 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 487 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 487 G C 0.181 175.071 174.900 -0.017 0.000 1.025 487 G CA 1.011 46.102 45.100 -0.017 0.000 0.769 487 G HN 0.575 nan 8.290 nan 0.000 0.507 488 K N -2.093 118.292 120.400 -0.025 0.000 2.809 488 K HA 0.610 4.929 4.320 -0.000 0.000 0.293 488 K C -0.994 175.575 176.600 -0.051 0.000 1.061 488 K CA -1.357 54.913 56.287 -0.028 0.000 0.837 488 K CB 0.606 33.095 32.500 -0.017 0.000 1.524 488 K HN 0.174 nan 8.250 nan 0.000 0.370 489 I N 2.970 123.500 120.570 -0.066 0.000 2.291 489 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 489 I C 0.417 176.487 176.117 -0.078 0.000 1.050 489 I CA -0.443 60.785 61.300 -0.120 0.000 1.245 489 I CB 1.365 39.227 38.000 -0.230 0.000 1.405 489 I HN 0.773 nan 8.210 nan 0.000 0.478 490 S N 3.752 119.411 115.700 -0.068 0.000 2.640 490 S HA 0.225 4.695 4.470 -0.000 0.000 0.262 490 S C 0.981 175.563 174.600 -0.030 0.000 1.232 490 S CA -0.401 57.776 58.200 -0.037 0.000 0.988 490 S CB 1.111 64.292 63.200 -0.031 0.000 1.034 490 S HN 0.568 nan 8.310 nan 0.000 0.569 491 E N 0.413 120.609 120.200 -0.008 0.000 2.106 491 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 491 E C 1.966 178.566 176.600 -0.001 0.000 0.984 491 E CA 1.400 57.805 56.400 0.008 0.000 0.806 491 E CB -0.250 29.459 29.700 0.016 0.000 0.750 491 E HN 0.806 nan 8.360 nan 0.000 0.458 492 E N -0.065 120.127 120.200 -0.013 0.000 2.051 492 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 492 E C 1.855 178.432 176.600 -0.039 0.000 0.991 492 E CA 1.302 57.691 56.400 -0.018 0.000 0.799 492 E CB 0.034 29.723 29.700 -0.018 0.000 0.748 492 E HN 0.100 nan 8.360 nan 0.000 0.449 493 S N 0.615 116.277 115.700 -0.063 0.000 2.382 493 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 493 S C 1.565 176.079 174.600 -0.144 0.000 1.027 493 S CA 1.421 59.555 58.200 -0.110 0.000 0.991 493 S CB -0.337 62.781 63.200 -0.137 0.000 0.823 493 S HN 0.408 nan 8.310 nan 0.000 0.469 494 D N 1.515 121.848 120.400 -0.111 0.000 2.117 494 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 494 D C 1.927 178.258 176.300 0.052 0.000 0.987 494 D CA 1.335 55.315 54.000 -0.034 0.000 0.829 494 D CB -0.288 40.561 40.800 0.081 0.000 0.961 494 D HN 0.311 nan 8.370 nan 0.000 0.460 495 A N 0.223 123.058 122.820 0.024 0.000 1.898 495 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 495 A C 2.181 179.759 177.584 -0.010 0.000 1.181 495 A CA 1.704 53.755 52.037 0.024 0.000 0.620 495 A CB -0.648 18.363 19.000 0.019 0.000 0.819 495 A HN 0.256 nan 8.150 nan 0.000 0.442 496 K N -0.559 119.818 120.400 -0.039 0.000 2.057 496 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 496 K C 1.848 178.390 176.600 -0.097 0.000 1.050 496 K CA 1.074 57.319 56.287 -0.070 0.000 0.935 496 K CB -0.252 32.196 32.500 -0.087 0.000 0.715 496 K HN 0.436 nan 8.250 nan 0.000 0.439 497 L N 0.896 122.069 121.223 -0.084 0.000 2.141 497 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 497 L C 2.515 179.333 176.870 -0.087 0.000 1.094 497 L CA 1.167 55.985 54.840 -0.036 0.000 0.763 497 L CB -0.208 41.851 42.059 -0.001 0.000 0.908 497 L HN 0.199 nan 8.230 nan 0.000 0.437 498 K N -0.201 120.116 120.400 -0.138 0.000 2.026 498 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 498 K C 2.010 178.513 176.600 -0.162 0.000 1.048 498 K CA 1.339 57.435 56.287 -0.317 0.000 0.929 498 K CB 0.094 32.521 32.500 -0.122 0.000 0.713 498 K HN 0.171 nan 8.250 nan 0.000 0.439 499 E N 0.730 120.894 120.200 -0.061 0.000 2.085 499 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 499 E C 2.137 178.756 176.600 0.031 0.000 0.994 499 E CA 1.339 57.736 56.400 -0.006 0.000 0.801 499 E CB -0.248 29.456 29.700 0.007 0.000 0.743 499 E HN 0.456 nan 8.360 nan 0.000 0.453 500 I N 0.524 121.103 120.570 0.015 0.000 2.202 500 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 500 I C 2.494 178.740 176.117 0.216 0.000 1.091 500 I CA 0.646 62.013 61.300 0.112 0.000 1.368 500 I CB -0.267 37.726 38.000 -0.011 0.000 1.058 500 I HN -0.086 nan 8.210 nan 0.000 0.410 501 V N 0.990 120.959 119.914 0.092 0.000 2.270 501 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 501 V C 2.765 178.939 176.094 0.133 0.000 1.043 501 V CA 2.594 64.923 62.300 0.048 0.000 1.014 501 V CB -1.174 30.526 31.823 -0.204 0.000 0.645 501 V HN 0.637 nan 8.190 nan 0.000 0.447 502 T N -1.296 113.278 114.554 0.034 0.000 2.708 502 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 502 T C 1.721 176.493 174.700 0.121 0.000 1.037 502 T CA 1.757 63.897 62.100 0.067 0.000 1.146 502 T CB -0.569 68.323 68.868 0.039 0.000 0.865 502 T HN 0.431 nan 8.240 nan 0.000 0.435 503 N N 0.483 119.264 118.700 0.135 0.000 2.244 503 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 503 N C 1.536 177.156 175.510 0.184 0.000 1.016 503 N CA 0.941 54.073 53.050 0.137 0.000 0.866 503 N CB -0.421 38.141 38.487 0.124 0.000 0.980 503 N HN 0.457 nan 8.380 nan 0.000 0.430 504 F N 1.438 121.465 119.950 0.128 0.000 2.206 504 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 504 F C 2.188 178.146 175.800 0.264 0.000 1.090 504 F CA 0.446 58.547 58.000 0.169 0.000 1.323 504 F CB -0.098 39.032 39.000 0.217 0.000 1.028 504 F HN -0.102 nan 8.300 nan 0.000 0.492 505 L N 0.452 121.951 121.223 0.460 0.000 2.046 505 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 505 L C 2.487 179.469 176.870 0.187 0.000 1.077 505 L CA 2.022 57.057 54.840 0.327 0.000 0.747 505 L CB -1.096 41.030 42.059 0.112 0.000 0.896 505 L HN 0.132 nan 8.230 nan 0.000 0.432 506 A N -0.854 122.035 122.820 0.115 0.000 1.930 506 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 506 A C 2.301 179.902 177.584 0.027 0.000 1.175 506 A CA 1.450 53.521 52.037 0.057 0.000 0.627 506 A CB -1.438 17.587 19.000 0.042 0.000 0.815 506 A HN 0.517 nan 8.150 nan 0.000 0.443 507 G N -1.738 107.062 108.800 -0.001 0.000 2.403 507 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 507 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 507 G C 1.415 176.280 174.900 -0.057 0.000 1.154 507 G CA 1.028 46.087 45.100 -0.067 0.000 0.784 507 G HN 0.474 nan 8.290 nan 0.000 0.538 508 F N 2.131 121.989 119.950 -0.153 0.000 2.293 508 F HA 0.055 4.582 4.527 -0.000 0.000 0.297 508 F C 2.720 178.517 175.800 -0.005 0.000 1.089 508 F CA 1.526 59.480 58.000 -0.076 0.000 1.377 508 F CB 0.055 39.097 39.000 0.070 0.000 1.051 508 F HN 0.396 nan 8.300 nan 0.000 0.511 509 E N 0.542 120.773 120.200 0.052 0.000 2.482 509 E HA 0.136 4.486 4.350 -0.000 0.000 0.196 509 E C 1.094 177.637 176.600 -0.094 0.000 1.047 509 E CA 0.378 56.764 56.400 -0.023 0.000 0.869 509 E CB -0.262 29.465 29.700 0.045 0.000 0.836 509 E HN 0.310 nan 8.360 nan 0.000 0.520 510 A N 0.000 122.756 122.820 -0.107 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.979 52.037 -0.097 0.000 0.836 510 A CB 0.000 18.951 19.000 -0.081 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486