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 1e1q_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 0.000 176.297 176.300 -0.005 0.000 2.045 24 D CA 0.000 54.001 54.000 0.001 0.000 0.868 24 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 25 L N 1.838 123.060 121.223 -0.003 0.000 2.721 25 L HA 0.027 4.367 4.340 -0.000 0.000 0.241 25 L C 1.866 178.707 176.870 -0.048 0.000 1.168 25 L CA 0.748 55.571 54.840 -0.028 0.000 0.866 25 L CB -0.090 41.951 42.059 -0.031 0.000 0.996 25 L HN 0.492 nan 8.230 nan 0.000 0.451 26 E N -0.001 120.179 120.200 -0.034 0.000 2.162 26 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 26 E C 1.340 177.916 176.600 -0.039 0.000 0.953 26 E CA 0.354 56.732 56.400 -0.037 0.000 0.849 26 E CB 0.553 30.237 29.700 -0.026 0.000 0.810 26 E HN 0.376 nan 8.360 nan 0.000 0.470 27 E N 0.214 120.393 120.200 -0.036 0.000 2.539 27 E HA 0.078 4.428 4.350 -0.000 0.000 0.215 27 E C 0.370 176.942 176.600 -0.046 0.000 0.965 27 E CA 0.352 56.728 56.400 -0.040 0.000 1.019 27 E CB 1.520 31.201 29.700 -0.032 0.000 1.059 27 E HN 0.217 nan 8.360 nan 0.000 0.496 28 T N -2.195 112.335 114.554 -0.040 0.000 2.865 28 T HA 0.783 5.133 4.350 -0.000 0.000 0.294 28 T C 0.072 174.754 174.700 -0.031 0.000 1.119 28 T CA -0.460 61.616 62.100 -0.039 0.000 1.007 28 T CB 2.599 71.453 68.868 -0.022 0.000 1.225 28 T HN 0.007 nan 8.240 nan 0.000 0.515 29 G N 0.250 109.037 108.800 -0.021 0.000 2.682 29 G HA2 0.682 4.642 3.960 -0.000 0.000 0.290 29 G HA3 0.682 4.642 3.960 -0.000 0.000 0.290 29 G C -1.737 173.194 174.900 0.052 0.000 1.425 29 G CA -1.078 44.031 45.100 0.014 0.000 0.807 29 G HN 0.796 nan 8.290 nan 0.000 0.482 30 R N -0.498 120.068 120.500 0.110 0.000 2.740 30 R HA 0.553 4.893 4.340 -0.000 0.000 0.282 30 R C -0.834 175.538 176.300 0.119 0.000 0.969 30 R CA -0.801 55.360 56.100 0.102 0.000 0.918 30 R CB 2.668 33.018 30.300 0.084 0.000 1.175 30 R HN 0.318 nan 8.270 nan 0.000 0.464 31 V N 4.633 124.618 119.914 0.118 0.000 2.521 31 V HA 0.005 4.125 4.120 -0.000 0.000 0.286 31 V C 1.560 177.705 176.094 0.084 0.000 1.034 31 V CA 0.380 62.755 62.300 0.126 0.000 1.045 31 V CB 0.753 32.665 31.823 0.148 0.000 0.974 31 V HN 0.713 nan 8.190 nan 0.000 0.480 32 L N 3.707 124.981 121.223 0.086 0.000 2.084 32 L HA 0.125 4.465 4.340 -0.000 0.000 0.202 32 L C 1.027 177.921 176.870 0.040 0.000 1.074 32 L CA 1.011 55.884 54.840 0.054 0.000 0.757 32 L CB 0.074 42.172 42.059 0.065 0.000 0.918 32 L HN 0.825 nan 8.230 nan 0.000 0.444 33 S N -1.041 114.688 115.700 0.049 0.000 2.564 33 S HA 0.647 5.117 4.470 -0.000 0.000 0.274 33 S C -1.040 173.580 174.600 0.034 0.000 1.124 33 S CA -0.729 57.490 58.200 0.032 0.000 0.869 33 S CB 2.800 66.014 63.200 0.023 0.000 1.105 33 S HN 0.043 nan 8.310 nan 0.000 0.472 34 I N 0.661 121.240 120.570 0.015 0.000 2.610 34 I HA 0.844 5.014 4.170 -0.000 0.000 0.289 34 I C -0.452 175.658 176.117 -0.012 0.000 1.163 34 I CA 0.251 61.551 61.300 -0.001 0.000 1.044 34 I CB 1.437 39.424 38.000 -0.023 0.000 1.251 34 I HN 1.250 nan 8.210 nan 0.000 0.424 35 G N 4.493 113.286 108.800 -0.013 0.000 2.702 35 G HA2 0.415 4.374 3.960 -0.000 0.000 0.296 35 G HA3 0.415 4.374 3.960 -0.000 0.000 0.296 35 G C -1.279 173.610 174.900 -0.017 0.000 1.463 35 G CA -0.578 44.512 45.100 -0.016 0.000 0.890 35 G HN 0.654 nan 8.290 nan 0.000 0.534 36 D N -0.013 120.375 120.400 -0.021 0.000 2.692 36 D HA -0.203 4.437 4.640 -0.000 0.000 0.233 36 D C 1.637 177.926 176.300 -0.019 0.000 1.172 36 D CA 2.567 56.554 54.000 -0.021 0.000 0.636 36 D CB -1.063 39.723 40.800 -0.022 0.000 1.028 36 D HN 2.142 nan 8.370 nan 0.000 0.419 37 G N -0.971 107.817 108.800 -0.020 0.000 2.189 37 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.267 37 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.267 37 G C 0.278 175.187 174.900 0.014 0.000 0.975 37 G CA 0.405 45.500 45.100 -0.008 0.000 0.644 37 G HN 0.502 nan 8.290 nan 0.000 0.537 38 I N 1.122 121.698 120.570 0.009 0.000 2.362 38 I HA 0.664 4.834 4.170 -0.000 0.000 0.289 38 I C 0.440 176.583 176.117 0.043 0.000 0.994 38 I CA -0.988 60.332 61.300 0.033 0.000 1.158 38 I CB 1.178 39.187 38.000 0.014 0.000 1.315 38 I HN 0.325 nan 8.210 nan 0.000 0.451 39 A N 7.634 130.511 122.820 0.096 0.000 2.267 39 A HA 0.617 4.937 4.320 -0.000 0.000 0.315 39 A C -0.056 177.611 177.584 0.138 0.000 1.297 39 A CA -0.759 51.356 52.037 0.129 0.000 0.865 39 A CB 0.583 19.738 19.000 0.257 0.000 1.165 39 A HN 0.525 nan 8.150 nan 0.000 0.513 40 R N 1.925 122.483 120.500 0.097 0.000 2.242 40 R HA 0.348 4.688 4.340 -0.000 0.000 0.334 40 R C -0.698 175.665 176.300 0.104 0.000 1.071 40 R CA -0.169 55.982 56.100 0.085 0.000 0.922 40 R CB 0.620 30.956 30.300 0.061 0.000 1.023 40 R HN 0.421 nan 8.270 nan 0.000 0.458 41 V N 3.822 123.795 119.914 0.097 0.000 2.435 41 V HA 0.167 4.286 4.120 -0.000 0.000 0.290 41 V C 0.104 176.254 176.094 0.095 0.000 1.030 41 V CA -0.917 61.442 62.300 0.099 0.000 0.881 41 V CB 1.462 33.319 31.823 0.057 0.000 0.983 41 V HN 0.703 nan 8.190 nan 0.000 0.445 42 H N 3.075 122.157 119.070 0.020 0.000 2.487 42 H HA 0.681 5.237 4.556 -0.000 0.000 0.333 42 H C 0.564 175.892 175.328 0.001 0.000 1.114 42 H CA 1.218 57.272 56.048 0.010 0.000 1.310 42 H CB 1.227 30.996 29.762 0.013 0.000 1.462 42 H HN 1.024 nan 8.280 nan 0.000 0.516 43 G N 2.900 111.355 108.800 -0.575 0.000 2.545 43 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.240 43 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.240 43 G C 0.162 174.961 174.900 -0.168 0.000 1.172 43 G CA -0.340 44.560 45.100 -0.333 0.000 0.949 43 G HN 1.180 nan 8.290 nan 0.000 0.574 44 L N -0.115 121.047 121.223 -0.101 0.000 3.858 44 L HA -0.225 4.115 4.340 -0.000 0.000 0.425 44 L C 2.329 179.153 176.870 -0.077 0.000 1.177 44 L CA 0.889 55.680 54.840 -0.081 0.000 0.943 44 L CB -0.584 41.427 42.059 -0.079 0.000 1.861 44 L HN 0.626 nan 8.230 nan 0.000 0.985 45 R N 0.183 120.633 120.500 -0.083 0.000 2.261 45 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 45 R C 1.187 177.458 176.300 -0.049 0.000 1.141 45 R CA 1.447 57.506 56.100 -0.069 0.000 1.001 45 R CB -0.228 30.031 30.300 -0.069 0.000 0.866 45 R HN 0.551 nan 8.270 nan 0.000 0.468 46 N N -0.289 118.384 118.700 -0.045 0.000 2.230 46 N HA 0.016 4.756 4.740 -0.000 0.000 0.202 46 N C -0.251 175.238 175.510 -0.035 0.000 1.119 46 N CA -0.006 53.023 53.050 -0.035 0.000 0.851 46 N CB 0.502 38.971 38.487 -0.032 0.000 0.990 46 N HN -0.065 nan 8.380 nan 0.000 0.497 47 V N -0.457 119.432 119.914 -0.041 0.000 2.843 47 V HA 0.111 4.230 4.120 -0.000 0.000 0.305 47 V C 0.580 176.658 176.094 -0.027 0.000 1.065 47 V CA -0.553 61.724 62.300 -0.040 0.000 1.116 47 V CB 0.536 32.331 31.823 -0.047 0.000 0.968 47 V HN 0.098 nan 8.190 nan 0.000 0.487 48 Q N 1.679 121.465 119.800 -0.023 0.000 2.205 48 Q HA 0.672 5.012 4.340 -0.000 0.000 0.249 48 Q C 0.122 176.120 176.000 -0.004 0.000 0.948 48 Q CA -0.585 55.211 55.803 -0.012 0.000 0.895 48 Q CB 1.639 30.371 28.738 -0.010 0.000 1.249 48 Q HN 1.059 nan 8.270 nan 0.000 0.458 49 A N 1.561 124.385 122.820 0.007 0.000 2.520 49 A HA 0.132 4.452 4.320 -0.000 0.000 0.245 49 A C 0.084 177.682 177.584 0.023 0.000 1.072 49 A CA 0.150 52.198 52.037 0.019 0.000 0.761 49 A CB -0.153 18.864 19.000 0.028 0.000 1.004 49 A HN 0.933 nan 8.150 nan 0.000 0.499 50 E N -0.868 119.353 120.200 0.035 0.000 3.547 50 E HA -0.168 4.182 4.350 -0.000 0.000 0.309 50 E C 0.032 176.645 176.600 0.023 0.000 0.855 50 E CA 1.491 57.920 56.400 0.047 0.000 1.122 50 E CB -1.488 28.238 29.700 0.043 0.000 1.569 50 E HN 0.888 nan 8.360 nan 0.000 0.429 51 E N 0.557 120.757 120.200 -0.000 0.000 2.227 51 E HA 0.190 4.540 4.350 -0.000 0.000 0.282 51 E C -0.060 176.505 176.600 -0.058 0.000 1.015 51 E CA -0.604 55.780 56.400 -0.028 0.000 0.823 51 E CB 0.544 30.223 29.700 -0.035 0.000 1.081 51 E HN -0.022 nan 8.360 nan 0.000 0.396 52 M N 4.197 123.744 119.600 -0.089 0.000 2.238 52 M HA 0.094 4.574 4.480 -0.000 0.000 0.350 52 M C -0.077 176.125 176.300 -0.164 0.000 1.321 52 M CA -0.058 55.147 55.300 -0.159 0.000 1.097 52 M CB 0.309 32.802 32.600 -0.179 0.000 1.713 52 M HN 0.393 nan 8.290 nan 0.000 0.455 53 V N 0.952 120.738 119.914 -0.212 0.000 3.019 53 V HA 0.692 4.812 4.120 -0.000 0.000 0.317 53 V C -0.492 175.421 176.094 -0.302 0.000 1.094 53 V CA -0.936 61.212 62.300 -0.253 0.000 1.000 53 V CB 2.312 33.949 31.823 -0.310 0.000 1.060 53 V HN 0.871 nan 8.190 nan 0.000 0.443 54 E N 0.883 120.915 120.200 -0.281 0.000 2.199 54 E HA 0.532 4.882 4.350 -0.000 0.000 0.269 54 E C -1.658 174.792 176.600 -0.249 0.000 0.899 54 E CA -0.661 55.625 56.400 -0.191 0.000 0.772 54 E CB 1.771 31.423 29.700 -0.079 0.000 1.155 54 E HN 0.631 nan 8.360 nan 0.000 0.408 55 F N 1.168 121.110 119.950 -0.014 0.000 2.380 55 F HA 0.177 4.704 4.527 -0.000 0.000 0.319 55 F C 1.943 177.744 175.800 0.001 0.000 1.113 55 F CA -0.336 57.664 58.000 -0.001 0.000 1.056 55 F CB 1.040 40.045 39.000 0.008 0.000 1.289 55 F HN 0.472 nan 8.300 nan 0.000 0.515 56 S N 0.182 116.010 115.700 0.215 0.000 2.365 56 S HA -0.216 4.253 4.470 -0.000 0.000 0.225 56 S C 2.063 176.723 174.600 0.101 0.000 1.039 56 S CA 1.970 60.239 58.200 0.116 0.000 1.033 56 S CB -0.538 62.719 63.200 0.095 0.000 0.887 56 S HN 0.693 nan 8.310 nan 0.000 0.447 57 S N 0.131 115.899 115.700 0.113 0.000 2.469 57 S HA 0.159 4.629 4.470 -0.000 0.000 0.238 57 S C 1.616 176.262 174.600 0.076 0.000 0.998 57 S CA 0.851 59.095 58.200 0.073 0.000 0.957 57 S CB -0.474 62.751 63.200 0.043 0.000 0.764 57 S HN 0.884 nan 8.310 nan 0.000 0.514 58 G N 0.007 108.871 108.800 0.107 0.000 2.159 58 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 58 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 58 G C -0.181 174.782 174.900 0.105 0.000 0.986 58 G CA -0.095 45.055 45.100 0.085 0.000 0.651 58 G HN 0.385 nan 8.290 nan 0.000 0.523 59 L N 0.972 122.290 121.223 0.158 0.000 2.417 59 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 59 L C 0.893 177.924 176.870 0.269 0.000 1.158 59 L CA 0.095 55.041 54.840 0.178 0.000 0.819 59 L CB 0.851 42.976 42.059 0.111 0.000 1.112 59 L HN 0.249 nan 8.230 nan 0.000 0.458 60 K N 1.014 121.512 120.400 0.162 0.000 2.087 60 K HA 0.803 5.123 4.320 -0.000 0.000 0.255 60 K C -0.146 176.499 176.600 0.076 0.000 0.988 60 K CA -0.691 55.599 56.287 0.005 0.000 0.915 60 K CB 1.189 33.552 32.500 -0.228 0.000 1.043 60 K HN 0.709 nan 8.250 nan 0.000 0.457 61 G N 0.686 109.436 108.800 -0.083 0.000 2.706 61 G HA2 0.539 4.499 3.960 -0.000 0.000 0.297 61 G HA3 0.539 4.499 3.960 -0.000 0.000 0.297 61 G C -1.712 173.116 174.900 -0.119 0.000 1.403 61 G CA -0.774 44.387 45.100 0.101 0.000 0.954 61 G HN 0.467 nan 8.290 nan 0.000 0.500 62 M N 1.539 121.194 119.600 0.092 0.000 2.243 62 M HA 0.422 4.902 4.480 -0.000 0.000 0.324 62 M C -0.187 176.180 176.300 0.112 0.000 1.031 62 M CA -0.627 54.726 55.300 0.089 0.000 0.949 62 M CB 1.616 34.384 32.600 0.280 0.000 1.615 62 M HN 0.371 nan 8.290 nan 0.000 0.430 63 S N 6.040 121.768 115.700 0.047 0.000 3.072 63 S HA 0.205 4.675 4.470 -0.000 0.000 0.306 63 S C 1.090 175.722 174.600 0.053 0.000 1.207 63 S CA -0.464 57.758 58.200 0.037 0.000 1.008 63 S CB -0.186 63.012 63.200 -0.003 0.000 1.390 63 S HN 0.726 nan 8.310 nan 0.000 0.523 64 L N 1.492 122.756 121.223 0.068 0.000 2.270 64 L HA 0.135 4.475 4.340 -0.000 0.000 0.210 64 L C 0.130 177.025 176.870 0.041 0.000 1.104 64 L CA 0.828 55.705 54.840 0.063 0.000 0.804 64 L CB -0.120 41.972 42.059 0.054 0.000 0.937 64 L HN 0.430 nan 8.230 nan 0.000 0.450 65 N N -0.030 118.689 118.700 0.031 0.000 2.399 65 N HA 0.399 5.138 4.740 -0.000 0.000 0.280 65 N C -1.073 174.448 175.510 0.017 0.000 1.008 65 N CA -0.191 52.872 53.050 0.022 0.000 0.894 65 N CB 1.633 40.129 38.487 0.015 0.000 1.273 65 N HN -0.049 nan 8.380 nan 0.000 0.486 66 L N 1.983 123.214 121.223 0.014 0.000 2.264 66 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 66 L C 0.329 177.202 176.870 0.004 0.000 1.039 66 L CA -0.406 54.437 54.840 0.005 0.000 0.829 66 L CB 0.773 42.834 42.059 0.002 0.000 1.211 66 L HN 0.368 nan 8.230 nan 0.000 0.427 67 E N 3.595 123.796 120.200 0.002 0.000 2.232 67 E HA 0.311 4.661 4.350 -0.000 0.000 0.264 67 E C -1.638 174.960 176.600 -0.004 0.000 0.973 67 E CA -1.813 54.589 56.400 0.003 0.000 0.849 67 E CB 1.703 31.408 29.700 0.008 0.000 1.198 67 E HN 0.290 nan 8.360 nan 0.000 0.407 68 P HA -0.160 nan 4.420 nan 0.000 0.217 68 P C 0.474 177.769 177.300 -0.008 0.000 1.150 68 P CA 1.323 64.420 63.100 -0.005 0.000 0.832 68 P CB 0.178 31.878 31.700 0.001 0.000 0.787 69 D N -1.602 118.800 120.400 0.004 0.000 2.407 69 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 69 D C 0.144 176.456 176.300 0.019 0.000 1.083 69 D CA -0.009 54.002 54.000 0.018 0.000 0.844 69 D CB -0.333 40.494 40.800 0.046 0.000 0.967 69 D HN 0.353 nan 8.370 nan 0.000 0.506 70 N N -1.298 117.406 118.700 0.005 0.000 2.961 70 N HA 0.353 5.093 4.740 -0.000 0.000 0.245 70 N C -1.890 173.622 175.510 0.003 0.000 1.404 70 N CA -0.973 52.084 53.050 0.012 0.000 0.880 70 N CB 1.736 40.251 38.487 0.046 0.000 1.461 70 N HN -0.219 nan 8.380 nan 0.000 0.510 71 V N -0.031 119.887 119.914 0.007 0.000 2.417 71 V HA 0.754 4.874 4.120 -0.000 0.000 0.291 71 V C 0.619 176.732 176.094 0.032 0.000 1.024 71 V CA -0.639 61.666 62.300 0.008 0.000 0.861 71 V CB 1.208 33.025 31.823 -0.010 0.000 0.985 71 V HN 0.883 nan 8.190 nan 0.000 0.436 72 G N 3.911 112.731 108.800 0.033 0.000 2.393 72 G HA2 0.503 4.463 3.960 -0.000 0.000 0.311 72 G HA3 0.503 4.463 3.960 -0.000 0.000 0.311 72 G C -0.558 174.381 174.900 0.066 0.000 1.067 72 G CA -0.199 44.929 45.100 0.046 0.000 1.000 72 G HN 0.539 nan 8.290 nan 0.000 0.422 73 V N 3.406 123.383 119.914 0.104 0.000 2.394 73 V HA 0.242 4.362 4.120 -0.000 0.000 0.282 73 V C 0.242 176.453 176.094 0.195 0.000 1.031 73 V CA -0.786 61.607 62.300 0.155 0.000 0.881 73 V CB 1.708 33.654 31.823 0.205 0.000 0.982 73 V HN 0.407 nan 8.190 nan 0.000 0.451 74 V N 6.173 126.216 119.914 0.215 0.000 2.385 74 V HA 0.247 4.366 4.120 -0.000 0.000 0.269 74 V C 0.092 176.403 176.094 0.361 0.000 1.043 74 V CA -0.218 62.217 62.300 0.225 0.000 0.906 74 V CB 1.805 33.742 31.823 0.190 0.000 0.995 74 V HN 0.662 nan 8.190 nan 0.000 0.467 75 V N 7.102 127.171 119.914 0.259 0.000 2.432 75 V HA 0.249 4.369 4.120 -0.000 0.000 0.271 75 V C 0.143 176.436 176.094 0.332 0.000 1.046 75 V CA -0.305 62.164 62.300 0.282 0.000 0.945 75 V CB 0.800 32.644 31.823 0.036 0.000 0.992 75 V HN 0.683 nan 8.190 nan 0.000 0.471 76 F N 5.023 125.031 119.950 0.098 0.000 2.666 76 F HA 0.589 5.116 4.527 -0.000 0.000 0.362 76 F C 1.129 176.960 175.800 0.051 0.000 1.190 76 F CA 0.221 58.272 58.000 0.084 0.000 1.328 76 F CB -0.363 38.698 39.000 0.102 0.000 1.682 76 F HN 0.729 nan 8.300 nan 0.000 0.623 77 G N 0.527 109.411 108.800 0.140 0.000 2.350 77 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.282 77 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.282 77 G C -1.503 173.408 174.900 0.018 0.000 1.314 77 G CA -1.219 43.925 45.100 0.074 0.000 0.915 77 G HN 0.113 nan 8.290 nan 0.000 0.499 78 N N 1.081 119.780 118.700 -0.002 0.000 2.430 78 N HA 0.209 4.949 4.740 -0.000 0.000 0.265 78 N C 0.975 176.449 175.510 -0.060 0.000 1.100 78 N CA 0.375 53.411 53.050 -0.024 0.000 0.961 78 N CB 1.382 39.860 38.487 -0.014 0.000 1.075 78 N HN 0.555 nan 8.380 nan 0.000 0.478 79 D N 3.348 123.706 120.400 -0.069 0.000 2.350 79 D HA -0.193 4.447 4.640 -0.000 0.000 0.216 79 D C 1.469 177.716 176.300 -0.089 0.000 0.968 79 D CA 0.842 54.778 54.000 -0.106 0.000 0.894 79 D CB -0.027 40.721 40.800 -0.086 0.000 0.909 79 D HN 0.638 nan 8.370 nan 0.000 0.520 80 K N 1.011 121.376 120.400 -0.058 0.000 2.089 80 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 80 K C 1.496 178.067 176.600 -0.049 0.000 1.048 80 K CA 1.201 57.463 56.287 -0.043 0.000 0.926 80 K CB -0.301 32.183 32.500 -0.027 0.000 0.714 80 K HN 0.248 nan 8.250 nan 0.000 0.448 81 L N 1.622 122.808 121.223 -0.061 0.000 2.660 81 L HA 0.239 4.579 4.340 -0.000 0.000 0.238 81 L C 0.047 176.867 176.870 -0.082 0.000 1.161 81 L CA -0.077 54.730 54.840 -0.055 0.000 0.937 81 L CB -0.060 41.975 42.059 -0.041 0.000 1.122 81 L HN 0.155 nan 8.230 nan 0.000 0.435 82 I N 0.092 120.594 120.570 -0.114 0.000 2.447 82 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 82 I C -0.407 175.672 176.117 -0.065 0.000 1.023 82 I CA -0.572 60.647 61.300 -0.135 0.000 1.083 82 I CB 1.666 39.472 38.000 -0.324 0.000 1.245 82 I HN 0.037 nan 8.210 nan 0.000 0.434 83 K N 4.323 124.712 120.400 -0.019 0.000 2.340 83 K HA 0.392 4.712 4.320 -0.000 0.000 0.244 83 K C -0.488 176.125 176.600 0.021 0.000 0.973 83 K CA -0.953 55.333 56.287 -0.001 0.000 0.828 83 K CB 2.460 34.962 32.500 0.003 0.000 1.226 83 K HN 0.547 nan 8.250 nan 0.000 0.437 84 E N 0.251 120.462 120.200 0.017 0.000 2.502 84 E HA -0.070 4.279 4.350 -0.000 0.000 0.261 84 E C 0.505 177.122 176.600 0.029 0.000 0.974 84 E CA 1.394 57.809 56.400 0.025 0.000 0.936 84 E CB 0.113 29.820 29.700 0.012 0.000 0.926 84 E HN 0.787 nan 8.360 nan 0.000 0.459 85 G N 4.003 112.827 108.800 0.039 0.000 2.213 85 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 85 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 85 G C -0.205 174.728 174.900 0.055 0.000 0.991 85 G CA 0.126 45.248 45.100 0.036 0.000 0.629 85 G HN 0.660 nan 8.290 nan 0.000 0.517 86 D N 0.916 121.362 120.400 0.077 0.000 2.455 86 D HA 0.406 5.046 4.640 -0.000 0.000 0.241 86 D C 0.999 177.365 176.300 0.110 0.000 1.138 86 D CA 0.066 54.127 54.000 0.102 0.000 0.877 86 D CB 0.569 41.453 40.800 0.141 0.000 1.187 86 D HN 0.319 nan 8.370 nan 0.000 0.451 87 I N 1.737 122.356 120.570 0.083 0.000 2.588 87 I HA 0.066 4.236 4.170 -0.000 0.000 0.283 87 I C 0.029 176.166 176.117 0.032 0.000 1.119 87 I CA -0.058 61.272 61.300 0.051 0.000 1.419 87 I CB 0.675 38.694 38.000 0.032 0.000 1.394 87 I HN 0.021 nan 8.210 nan 0.000 0.562 88 V N 6.228 126.121 119.914 -0.035 0.000 2.443 88 V HA 0.404 4.524 4.120 -0.000 0.000 0.293 88 V C -0.033 175.970 176.094 -0.151 0.000 1.021 88 V CA -1.023 61.172 62.300 -0.176 0.000 0.848 88 V CB 1.085 32.726 31.823 -0.302 0.000 0.998 88 V HN 0.591 nan 8.190 nan 0.000 0.424 89 K N 3.357 123.667 120.400 -0.150 0.000 2.110 89 K HA 0.609 4.929 4.320 -0.000 0.000 0.263 89 K C -0.088 176.434 176.600 -0.130 0.000 0.975 89 K CA -0.749 55.473 56.287 -0.109 0.000 0.895 89 K CB 1.576 34.032 32.500 -0.073 0.000 1.060 89 K HN 0.558 nan 8.250 nan 0.000 0.448 90 R N 0.751 121.193 120.500 -0.096 0.000 2.390 90 R HA 0.031 4.371 4.340 -0.000 0.000 0.291 90 R C 1.173 177.425 176.300 -0.080 0.000 1.070 90 R CA -0.039 56.006 56.100 -0.093 0.000 1.014 90 R CB 0.726 30.984 30.300 -0.070 0.000 1.007 90 R HN 0.818 nan 8.270 nan 0.000 0.466 91 T N -1.009 113.493 114.554 -0.086 0.000 3.009 91 T HA 0.106 4.456 4.350 -0.000 0.000 0.258 91 T C 1.533 176.201 174.700 -0.053 0.000 1.063 91 T CA 0.660 62.718 62.100 -0.070 0.000 1.139 91 T CB 0.113 68.932 68.868 -0.082 0.000 0.890 91 T HN 0.793 nan 8.240 nan 0.000 0.471 92 G N 2.227 110.995 108.800 -0.054 0.000 3.909 92 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 92 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 92 G C 0.591 175.469 174.900 -0.037 0.000 1.404 92 G CA 0.066 45.142 45.100 -0.041 0.000 0.905 92 G HN 1.462 nan 8.290 nan 0.000 0.589 93 A N 1.406 124.204 122.820 -0.037 0.000 2.548 93 A HA 0.537 4.857 4.320 -0.000 0.000 0.247 93 A C 0.772 178.334 177.584 -0.037 0.000 1.067 93 A CA 0.840 52.858 52.037 -0.032 0.000 0.757 93 A CB 0.012 18.994 19.000 -0.029 0.000 0.996 93 A HN 1.191 nan 8.150 nan 0.000 0.504 94 I N 2.625 123.178 120.570 -0.027 0.000 3.432 94 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 94 I C 0.143 176.249 176.117 -0.018 0.000 1.127 94 I CA -0.595 60.690 61.300 -0.025 0.000 0.962 94 I CB 1.211 39.201 38.000 -0.016 0.000 1.550 94 I HN 0.377 nan 8.210 nan 0.000 0.736 95 V N 4.100 124.009 119.914 -0.008 0.000 2.446 95 V HA 0.135 4.255 4.120 -0.000 0.000 0.276 95 V C -0.380 175.721 176.094 0.012 0.000 1.030 95 V CA 0.015 62.323 62.300 0.012 0.000 1.033 95 V CB 0.039 31.887 31.823 0.042 0.000 0.993 95 V HN 0.689 nan 8.190 nan 0.000 0.477 96 D N 4.456 124.866 120.400 0.017 0.000 2.756 96 D HA 0.578 5.218 4.640 -0.000 0.000 0.226 96 D C -0.746 175.568 176.300 0.024 0.000 1.186 96 D CA -0.449 53.561 54.000 0.017 0.000 0.845 96 D CB 2.443 43.248 40.800 0.008 0.000 1.610 96 D HN 0.426 nan 8.370 nan 0.000 0.465 97 V N -2.916 117.012 119.914 0.024 0.000 3.046 97 V HA 0.747 4.867 4.120 -0.000 0.000 0.316 97 V C -2.856 173.240 176.094 0.003 0.000 1.104 97 V CA -2.407 59.907 62.300 0.023 0.000 1.006 97 V CB 1.749 33.593 31.823 0.035 0.000 1.058 97 V HN 0.470 nan 8.190 nan 0.000 0.440 98 P HA 0.313 nan 4.420 nan 0.000 0.271 98 P C -0.788 176.472 177.300 -0.066 0.000 1.216 98 P CA 0.145 63.224 63.100 -0.034 0.000 0.771 98 P CB 1.430 33.112 31.700 -0.029 0.000 0.864 99 V N 2.936 122.775 119.914 -0.126 0.000 2.760 99 V HA 0.871 4.991 4.120 -0.000 0.000 0.309 99 V C 0.243 176.026 176.094 -0.518 0.000 1.077 99 V CA 0.262 62.419 62.300 -0.238 0.000 0.910 99 V CB 1.883 33.626 31.823 -0.134 0.000 1.008 99 V HN 1.006 nan 8.190 nan 0.000 0.424 100 G N 3.819 112.168 108.800 -0.751 0.000 2.341 100 G HA2 0.142 4.102 3.960 -0.000 0.000 0.293 100 G HA3 0.142 4.102 3.960 -0.000 0.000 0.293 100 G C -0.224 174.367 174.900 -0.514 0.000 1.298 100 G CA -0.128 44.373 45.100 -0.998 0.000 0.868 100 G HN 0.577 nan 8.290 nan 0.000 0.540 101 E N 0.137 120.142 120.200 -0.324 0.000 2.427 101 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 101 E C 1.915 178.522 176.600 0.011 0.000 1.028 101 E CA 0.879 57.264 56.400 -0.024 0.000 0.864 101 E CB 0.196 29.928 29.700 0.053 0.000 0.813 101 E HN 0.574 nan 8.360 nan 0.000 0.514 102 E N 0.738 120.904 120.200 -0.057 0.000 2.478 102 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 102 E C 1.611 178.210 176.600 -0.002 0.000 1.046 102 E CA 0.508 56.896 56.400 -0.020 0.000 0.870 102 E CB -0.043 29.634 29.700 -0.038 0.000 0.818 102 E HN 0.362 nan 8.360 nan 0.000 0.527 103 L N 0.598 121.823 121.223 0.003 0.000 2.446 103 L HA 0.173 4.513 4.340 -0.000 0.000 0.219 103 L C 1.175 178.086 176.870 0.068 0.000 1.116 103 L CA -0.102 54.755 54.840 0.029 0.000 0.844 103 L CB -0.027 42.049 42.059 0.028 0.000 0.970 103 L HN 0.024 nan 8.230 nan 0.000 0.457 104 L N 0.331 121.615 121.223 0.103 0.000 2.490 104 L HA 0.092 4.432 4.340 -0.000 0.000 0.274 104 L C 1.459 178.369 176.870 0.066 0.000 1.201 104 L CA 0.789 55.704 54.840 0.125 0.000 0.869 104 L CB 0.200 42.379 42.059 0.200 0.000 1.123 104 L HN 0.361 nan 8.230 nan 0.000 0.484 105 G N 1.734 110.553 108.800 0.031 0.000 2.212 105 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.266 105 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.266 105 G C 0.440 175.341 174.900 0.002 0.000 0.978 105 G CA -0.211 44.886 45.100 -0.004 0.000 0.632 105 G HN 0.483 nan 8.290 nan 0.000 0.537 106 R N -0.484 120.028 120.500 0.020 0.000 2.674 106 R HA 0.700 5.040 4.340 -0.000 0.000 0.266 106 R C -0.171 176.143 176.300 0.024 0.000 1.016 106 R CA -0.723 55.388 56.100 0.019 0.000 1.062 106 R CB 1.378 31.692 30.300 0.023 0.000 1.142 106 R HN 0.230 nan 8.270 nan 0.000 0.517 107 V N 2.316 122.243 119.914 0.023 0.000 2.350 107 V HA 0.350 4.470 4.120 -0.000 0.000 0.285 107 V C 0.007 176.122 176.094 0.034 0.000 1.014 107 V CA -0.752 61.566 62.300 0.031 0.000 0.831 107 V CB 1.405 33.244 31.823 0.026 0.000 1.000 107 V HN 0.576 nan 8.190 nan 0.000 0.433 108 V N 1.390 121.330 119.914 0.043 0.000 2.960 108 V HA 0.829 4.949 4.120 -0.000 0.000 0.315 108 V C -0.283 175.839 176.094 0.047 0.000 1.087 108 V CA -0.817 61.508 62.300 0.041 0.000 0.982 108 V CB 2.128 33.974 31.823 0.039 0.000 1.039 108 V HN 0.765 nan 8.190 nan 0.000 0.437 109 D N 2.508 122.936 120.400 0.046 0.000 2.440 109 D HA 0.461 5.101 4.640 -0.000 0.000 0.269 109 D C 1.237 177.568 176.300 0.052 0.000 1.249 109 D CA 0.101 54.131 54.000 0.049 0.000 1.055 109 D CB 0.968 41.799 40.800 0.052 0.000 1.104 109 D HN 0.822 nan 8.370 nan 0.000 0.561 110 A N -0.820 122.032 122.820 0.053 0.000 2.019 110 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 110 A C 2.118 179.746 177.584 0.073 0.000 1.164 110 A CA 0.880 52.950 52.037 0.054 0.000 0.644 110 A CB -0.698 18.326 19.000 0.040 0.000 0.805 110 A HN 0.527 nan 8.150 nan 0.000 0.449 111 L N -1.641 119.634 121.223 0.087 0.000 2.667 111 L HA 0.274 4.614 4.340 -0.000 0.000 0.232 111 L C 1.468 178.376 176.870 0.063 0.000 1.138 111 L CA 0.475 55.370 54.840 0.092 0.000 0.921 111 L CB -0.034 42.096 42.059 0.119 0.000 1.180 111 L HN 0.548 nan 8.230 nan 0.000 0.487 112 G N 0.093 108.924 108.800 0.053 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 0.094 175.014 174.900 0.034 0.000 0.982 112 G CA -0.388 44.735 45.100 0.038 0.000 0.650 112 G HN 0.402 nan 8.290 nan 0.000 0.527 113 N N 1.094 119.819 118.700 0.041 0.000 2.497 113 N HA 0.476 5.216 4.740 -0.000 0.000 0.271 113 N C 0.588 176.117 175.510 0.032 0.000 1.142 113 N CA 0.630 53.702 53.050 0.036 0.000 0.965 113 N CB 1.339 39.852 38.487 0.042 0.000 1.077 113 N HN 0.638 nan 8.380 nan 0.000 0.462 114 A N 2.434 125.269 122.820 0.025 0.000 2.451 114 A HA 0.214 4.534 4.320 -0.000 0.000 0.266 114 A C 1.195 178.793 177.584 0.024 0.000 1.119 114 A CA -0.260 51.791 52.037 0.023 0.000 0.786 114 A CB -0.570 18.440 19.000 0.017 0.000 1.061 114 A HN 0.795 nan 8.150 nan 0.000 0.503 115 I N -0.327 120.259 120.570 0.026 0.000 3.927 115 I HA 0.253 4.423 4.170 -0.000 0.000 0.332 115 I C 0.375 176.504 176.117 0.020 0.000 1.485 115 I CA -0.096 61.219 61.300 0.025 0.000 1.131 115 I CB 0.416 38.434 38.000 0.030 0.000 1.092 115 I HN 0.459 nan 8.210 nan 0.000 0.410 116 D N 0.866 121.276 120.400 0.017 0.000 2.360 116 D HA 0.155 4.795 4.640 -0.000 0.000 0.210 116 D C 1.754 178.059 176.300 0.009 0.000 1.047 116 D CA 0.624 54.631 54.000 0.011 0.000 0.854 116 D CB 0.186 40.992 40.800 0.009 0.000 0.936 116 D HN 0.394 nan 8.370 nan 0.000 0.514 117 G N 1.079 109.886 108.800 0.010 0.000 2.212 117 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.266 117 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.266 117 G C 0.841 175.745 174.900 0.007 0.000 0.978 117 G CA 0.447 45.552 45.100 0.009 0.000 0.632 117 G HN 0.453 nan 8.290 nan 0.000 0.537 118 K N 1.230 121.633 120.400 0.006 0.000 2.743 118 K HA 0.418 4.737 4.320 -0.000 0.000 0.219 118 K C 1.490 178.094 176.600 0.006 0.000 1.003 118 K CA 0.552 56.842 56.287 0.005 0.000 1.156 118 K CB -0.578 31.924 32.500 0.003 0.000 0.932 118 K HN 1.472 nan 8.250 nan 0.000 0.490 119 G N 1.925 110.729 108.800 0.007 0.000 2.698 119 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 119 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 119 G C -2.714 172.191 174.900 0.008 0.000 1.345 119 G CA -1.076 44.028 45.100 0.007 0.000 0.871 119 G HN 0.134 nan 8.290 nan 0.000 0.540 120 P HA 0.522 nan 4.420 nan 0.000 0.274 120 P C 0.324 177.626 177.300 0.004 0.000 1.246 120 P CA -0.467 62.637 63.100 0.006 0.000 0.795 120 P CB 0.706 32.409 31.700 0.005 0.000 1.006 121 I N -2.129 118.442 120.570 0.002 0.000 2.385 121 I HA 0.419 4.589 4.170 -0.000 0.000 0.294 121 I C 0.549 176.660 176.117 -0.010 0.000 0.988 121 I CA -0.583 60.716 61.300 -0.003 0.000 1.265 121 I CB 0.934 38.931 38.000 -0.004 0.000 1.388 121 I HN 0.411 nan 8.210 nan 0.000 0.480 122 G N 4.955 113.747 108.800 -0.014 0.000 3.197 122 G HA2 0.137 4.097 3.960 -0.000 0.000 0.257 122 G HA3 0.137 4.097 3.960 -0.000 0.000 0.257 122 G C 0.326 175.207 174.900 -0.032 0.000 0.835 122 G CA -0.434 44.655 45.100 -0.018 0.000 2.001 122 G HN 0.770 nan 8.290 nan 0.000 0.625 123 S N 0.556 116.236 115.700 -0.033 0.000 2.946 123 S HA -0.016 4.454 4.470 -0.000 0.000 0.349 123 S C 1.275 175.847 174.600 -0.046 0.000 1.189 123 S CA 0.093 58.265 58.200 -0.047 0.000 1.285 123 S CB 1.068 64.249 63.200 -0.032 0.000 1.010 123 S HN 0.608 nan 8.310 nan 0.000 0.538 124 K N 1.261 121.622 120.400 -0.066 0.000 2.242 124 K HA 0.230 4.550 4.320 -0.000 0.000 0.200 124 K C 0.805 177.384 176.600 -0.036 0.000 1.050 124 K CA 0.759 57.019 56.287 -0.045 0.000 0.981 124 K CB 0.250 32.723 32.500 -0.045 0.000 0.795 124 K HN 0.694 nan 8.250 nan 0.000 0.477 125 A N 1.209 123.992 122.820 -0.061 0.000 2.527 125 A HA 0.678 4.998 4.320 -0.000 0.000 0.293 125 A C -1.106 176.454 177.584 -0.040 0.000 1.117 125 A CA -0.865 51.156 52.037 -0.027 0.000 0.723 125 A CB 1.386 20.400 19.000 0.022 0.000 1.313 125 A HN 0.047 nan 8.150 nan 0.000 0.411 126 R N -0.070 120.423 120.500 -0.011 0.000 2.795 126 R HA 0.757 5.097 4.340 -0.000 0.000 0.275 126 R C -0.669 175.637 176.300 0.011 0.000 0.981 126 R CA -0.857 55.238 56.100 -0.009 0.000 0.917 126 R CB 2.673 32.970 30.300 -0.006 0.000 1.202 126 R HN 0.837 nan 8.270 nan 0.000 0.469 127 R N 1.031 121.539 120.500 0.014 0.000 2.771 127 R HA 0.405 4.745 4.340 -0.000 0.000 0.274 127 R C -0.933 175.381 176.300 0.023 0.000 0.987 127 R CA -0.820 55.296 56.100 0.026 0.000 0.908 127 R CB 1.968 32.294 30.300 0.042 0.000 1.213 127 R HN 0.552 nan 8.270 nan 0.000 0.468 128 R N 1.343 121.856 120.500 0.021 0.000 2.543 128 R HA 0.059 4.399 4.340 -0.000 0.000 0.277 128 R C 1.404 177.717 176.300 0.022 0.000 1.074 128 R CA 0.181 56.290 56.100 0.015 0.000 1.076 128 R CB 1.182 31.485 30.300 0.007 0.000 0.993 128 R HN 0.614 nan 8.270 nan 0.000 0.459 129 V N 0.530 120.453 119.914 0.015 0.000 2.591 129 V HA 0.116 4.236 4.120 -0.000 0.000 0.249 129 V C 0.848 176.938 176.094 -0.008 0.000 1.053 129 V CA 1.346 63.664 62.300 0.030 0.000 1.068 129 V CB -0.152 31.691 31.823 0.033 0.000 0.689 129 V HN 0.713 nan 8.190 nan 0.000 0.462 130 G N 1.385 110.147 108.800 -0.062 0.000 2.504 130 G HA2 0.639 4.599 3.960 -0.000 0.000 0.326 130 G HA3 0.639 4.599 3.960 -0.000 0.000 0.326 130 G C -1.014 173.861 174.900 -0.041 0.000 1.073 130 G CA -0.416 44.617 45.100 -0.113 0.000 1.030 130 G HN 0.360 nan 8.290 nan 0.000 0.448 131 L N 1.702 122.919 121.223 -0.010 0.000 2.464 131 L HA 0.426 4.766 4.340 -0.000 0.000 0.266 131 L C 0.193 177.077 176.870 0.022 0.000 0.965 131 L CA -1.076 53.771 54.840 0.012 0.000 0.833 131 L CB 2.819 44.893 42.059 0.026 0.000 1.296 131 L HN 0.436 nan 8.230 nan 0.000 0.405 132 K N 2.058 122.472 120.400 0.024 0.000 2.485 132 K HA 0.351 4.671 4.320 -0.000 0.000 0.277 132 K C 0.213 176.832 176.600 0.032 0.000 0.990 132 K CA -0.058 56.249 56.287 0.034 0.000 0.994 132 K CB 0.948 33.468 32.500 0.033 0.000 0.906 132 K HN 0.669 nan 8.250 nan 0.000 0.488 133 A N 5.351 128.192 122.820 0.035 0.000 2.448 133 A HA 0.211 4.531 4.320 -0.000 0.000 0.239 133 A C -2.079 175.506 177.584 0.002 0.000 1.080 133 A CA -1.041 51.011 52.037 0.024 0.000 0.779 133 A CB -0.483 18.533 19.000 0.026 0.000 1.026 133 A HN 0.684 nan 8.150 nan 0.000 0.499 134 P HA 0.174 nan 4.420 nan 0.000 0.267 134 P C 0.618 177.876 177.300 -0.069 0.000 1.205 134 P CA 0.516 63.577 63.100 -0.065 0.000 0.765 134 P CB 0.296 31.935 31.700 -0.102 0.000 0.828 135 G N 2.173 110.926 108.800 -0.077 0.000 2.527 135 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.279 135 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.279 135 G C 0.979 175.835 174.900 -0.073 0.000 1.374 135 G CA -0.503 44.562 45.100 -0.058 0.000 1.053 135 G HN 0.511 nan 8.290 nan 0.000 0.539 136 I N -0.671 119.869 120.570 -0.049 0.000 2.439 136 I HA -0.067 4.103 4.170 -0.000 0.000 0.251 136 I C 2.183 178.266 176.117 -0.057 0.000 1.139 136 I CA 0.652 61.927 61.300 -0.042 0.000 1.438 136 I CB 0.082 38.071 38.000 -0.019 0.000 1.085 136 I HN 0.274 nan 8.210 nan 0.000 0.427 137 I N 1.392 121.922 120.570 -0.066 0.000 2.480 137 I HA -0.016 4.154 4.170 -0.000 0.000 0.251 137 I C -0.473 175.571 176.117 -0.121 0.000 1.124 137 I CA 0.959 62.225 61.300 -0.056 0.000 1.444 137 I CB -2.624 35.373 38.000 -0.006 0.000 1.098 137 I HN 0.228 nan 8.210 nan 0.000 0.428 138 P HA -0.001 nan 4.420 nan 0.000 0.242 138 P C 0.462 177.516 177.300 -0.411 0.000 1.197 138 P CA 0.591 63.264 63.100 -0.712 0.000 0.765 138 P CB 0.036 30.795 31.700 -1.569 0.000 0.936 139 R N -0.086 120.290 120.500 -0.207 0.000 2.553 139 R HA 0.695 5.035 4.340 -0.000 0.000 0.263 139 R C -0.168 176.104 176.300 -0.047 0.000 1.066 139 R CA -0.824 55.209 56.100 -0.110 0.000 1.135 139 R CB 0.868 31.119 30.300 -0.081 0.000 1.148 139 R HN -0.009 nan 8.270 nan 0.000 0.558 140 I N -0.697 119.860 120.570 -0.022 0.000 2.752 140 I HA 0.164 4.333 4.170 -0.000 0.000 0.295 140 I C -0.548 175.565 176.117 -0.007 0.000 1.219 140 I CA -0.237 61.061 61.300 -0.003 0.000 1.030 140 I CB 2.378 40.388 38.000 0.015 0.000 1.259 140 I HN 0.530 nan 8.210 nan 0.000 0.423 141 S N 3.361 119.057 115.700 -0.006 0.000 2.536 141 S HA 0.066 4.536 4.470 -0.000 0.000 0.290 141 S C -0.311 174.280 174.600 -0.014 0.000 1.302 141 S CA -0.241 57.954 58.200 -0.009 0.000 1.037 141 S CB 0.276 63.472 63.200 -0.007 0.000 0.804 141 S HN 0.404 nan 8.310 nan 0.000 0.506 142 V N 5.033 124.935 119.914 -0.020 0.000 2.427 142 V HA 0.237 4.357 4.120 -0.000 0.000 0.268 142 V C 1.009 177.081 176.094 -0.035 0.000 1.046 142 V CA 0.277 62.558 62.300 -0.031 0.000 0.970 142 V CB 0.575 32.379 31.823 -0.033 0.000 1.001 142 V HN 0.860 nan 8.190 nan 0.000 0.476 143 R N 2.148 122.621 120.500 -0.045 0.000 2.561 143 R HA 0.236 4.576 4.340 -0.000 0.000 0.213 143 R C 0.120 176.380 176.300 -0.068 0.000 0.885 143 R CA -0.399 55.673 56.100 -0.045 0.000 1.002 143 R CB 0.620 30.900 30.300 -0.032 0.000 1.432 143 R HN 0.612 nan 8.270 nan 0.000 0.651 144 E N 4.124 124.268 120.200 -0.095 0.000 2.417 144 E HA 0.074 4.424 4.350 -0.000 0.000 0.261 144 E C -2.380 174.131 176.600 -0.148 0.000 1.000 144 E CA -1.872 54.446 56.400 -0.138 0.000 0.919 144 E CB 0.301 29.878 29.700 -0.206 0.000 0.955 144 E HN -0.049 nan 8.360 nan 0.000 0.455 145 P HA -0.053 nan 4.420 nan 0.000 0.267 145 P C -0.471 176.725 177.300 -0.174 0.000 1.205 145 P CA 0.241 63.262 63.100 -0.132 0.000 0.765 145 P CB 0.430 32.062 31.700 -0.113 0.000 0.828 146 M N 3.732 123.253 119.600 -0.131 0.000 2.741 146 M HA 0.104 4.584 4.480 -0.000 0.000 0.283 146 M C -0.319 175.936 176.300 -0.075 0.000 1.176 146 M CA -0.498 54.724 55.300 -0.130 0.000 1.139 146 M CB -0.066 32.473 32.600 -0.103 0.000 1.234 146 M HN 0.316 nan 8.290 nan 0.000 0.497 147 Q N 1.843 121.600 119.800 -0.072 0.000 2.275 147 Q HA 0.001 4.341 4.340 -0.000 0.000 0.293 147 Q C 1.361 177.402 176.000 0.067 0.000 1.129 147 Q CA 0.482 56.301 55.803 0.027 0.000 0.971 147 Q CB 0.141 28.949 28.738 0.117 0.000 1.098 147 Q HN 0.684 nan 8.270 nan 0.000 0.386 148 T N -1.044 113.533 114.554 0.039 0.000 2.978 148 T HA 0.122 4.472 4.350 -0.000 0.000 0.262 148 T C 1.317 176.043 174.700 0.043 0.000 1.063 148 T CA 0.665 62.786 62.100 0.035 0.000 1.140 148 T CB 0.153 69.028 68.868 0.013 0.000 0.886 148 T HN 0.779 nan 8.240 nan 0.000 0.470 149 G N 1.408 110.234 108.800 0.043 0.000 2.194 149 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.236 149 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.236 149 G C 0.041 174.949 174.900 0.014 0.000 0.987 149 G CA -0.029 45.088 45.100 0.029 0.000 0.635 149 G HN 0.649 nan 8.290 nan 0.000 0.520 150 I N 1.518 122.094 120.570 0.011 0.000 2.325 150 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 150 I C 1.675 177.798 176.117 0.009 0.000 1.019 150 I CA -0.652 60.650 61.300 0.004 0.000 1.302 150 I CB 1.281 39.279 38.000 -0.003 0.000 1.401 150 I HN 0.004 nan 8.210 nan 0.000 0.485 151 K N 4.492 124.899 120.400 0.011 0.000 2.044 151 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 151 K C 2.020 178.630 176.600 0.016 0.000 1.049 151 K CA 1.854 58.151 56.287 0.017 0.000 0.927 151 K CB -0.175 32.337 32.500 0.020 0.000 0.713 151 K HN 0.811 nan 8.250 nan 0.000 0.443 152 A N 0.900 123.728 122.820 0.013 0.000 1.969 152 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 152 A C 2.337 179.931 177.584 0.017 0.000 1.169 152 A CA 1.288 53.334 52.037 0.016 0.000 0.635 152 A CB -0.360 18.650 19.000 0.017 0.000 0.810 152 A HN 0.081 nan 8.150 nan 0.000 0.445 153 V N 0.278 120.200 119.914 0.012 0.000 2.331 153 V HA -0.139 3.981 4.120 -0.000 0.000 0.242 153 V C 1.985 178.084 176.094 0.008 0.000 1.034 153 V CA 1.891 64.196 62.300 0.008 0.000 1.027 153 V CB -0.755 31.069 31.823 0.002 0.000 0.667 153 V HN 0.445 nan 8.190 nan 0.000 0.457 154 D N 0.792 121.198 120.400 0.010 0.000 2.218 154 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 154 D C 2.345 178.652 176.300 0.012 0.000 0.976 154 D CA 1.775 55.781 54.000 0.010 0.000 0.853 154 D CB -0.095 40.715 40.800 0.017 0.000 0.939 154 D HN 0.614 nan 8.370 nan 0.000 0.481 155 S N -0.585 115.124 115.700 0.015 0.000 2.441 155 S HA 0.088 4.558 4.470 -0.000 0.000 0.224 155 S C 1.872 176.481 174.600 0.016 0.000 1.043 155 S CA 0.003 58.213 58.200 0.017 0.000 0.948 155 S CB -0.105 63.107 63.200 0.021 0.000 0.810 155 S HN 0.165 nan 8.310 nan 0.000 0.504 156 L N 1.095 122.329 121.223 0.018 0.000 2.664 156 L HA 0.431 4.771 4.340 -0.000 0.000 0.233 156 L C -0.313 176.570 176.870 0.021 0.000 1.113 156 L CA -0.037 54.816 54.840 0.021 0.000 0.896 156 L CB 1.156 43.231 42.059 0.026 0.000 1.163 156 L HN 0.168 nan 8.230 nan 0.000 0.497 157 V N -0.617 119.306 119.914 0.016 0.000 3.301 157 V HA 0.187 4.307 4.120 -0.000 0.000 0.477 157 V C -2.529 173.565 176.094 0.000 0.000 1.564 157 V CA -0.951 61.356 62.300 0.012 0.000 1.946 157 V CB 0.320 32.152 31.823 0.015 0.000 1.281 157 V HN -0.024 nan 8.190 nan 0.000 0.655 158 P HA 0.169 nan 4.420 nan 0.000 0.265 158 P C -0.525 176.763 177.300 -0.019 0.000 1.187 158 P CA 0.544 63.637 63.100 -0.010 0.000 0.766 158 P CB 0.876 32.570 31.700 -0.011 0.000 0.820 159 I N 1.588 122.141 120.570 -0.028 0.000 2.562 159 I HA 0.627 4.797 4.170 -0.000 0.000 0.301 159 I C 0.996 177.081 176.117 -0.053 0.000 1.003 159 I CA -0.768 60.509 61.300 -0.038 0.000 1.127 159 I CB 1.206 39.181 38.000 -0.041 0.000 1.304 159 I HN 0.381 nan 8.210 nan 0.000 0.446 160 G N 3.951 112.716 108.800 -0.058 0.000 2.533 160 G HA2 0.541 4.501 3.960 -0.000 0.000 0.304 160 G HA3 0.541 4.501 3.960 -0.000 0.000 0.304 160 G C -0.666 174.180 174.900 -0.089 0.000 1.263 160 G CA -0.964 44.090 45.100 -0.077 0.000 0.964 160 G HN 0.492 nan 8.290 nan 0.000 0.479 161 R N 0.602 121.024 120.500 -0.129 0.000 2.402 161 R HA 0.383 4.723 4.340 -0.000 0.000 0.331 161 R C 1.042 177.289 176.300 -0.087 0.000 1.040 161 R CA 0.742 56.753 56.100 -0.148 0.000 0.980 161 R CB 0.343 30.463 30.300 -0.300 0.000 0.967 161 R HN 1.201 nan 8.270 nan 0.000 0.440 162 G N 1.928 110.698 108.800 -0.050 0.000 2.296 162 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.188 162 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.188 162 G C 0.199 175.085 174.900 -0.024 0.000 1.000 162 G CA -0.236 44.851 45.100 -0.022 0.000 0.672 162 G HN 0.575 nan 8.290 nan 0.000 0.483 163 Q N 0.313 120.093 119.800 -0.035 0.000 2.443 163 Q HA 0.636 4.976 4.340 -0.000 0.000 0.232 163 Q C -0.220 175.762 176.000 -0.031 0.000 1.026 163 Q CA -0.108 55.677 55.803 -0.031 0.000 0.924 163 Q CB 0.377 29.092 28.738 -0.037 0.000 1.256 163 Q HN 0.259 nan 8.270 nan 0.000 0.519 164 R N 1.969 122.451 120.500 -0.030 0.000 2.409 164 R HA 0.342 4.682 4.340 -0.000 0.000 0.313 164 R C -1.520 174.752 176.300 -0.046 0.000 0.953 164 R CA -0.592 55.487 56.100 -0.033 0.000 0.849 164 R CB 1.708 31.992 30.300 -0.028 0.000 1.171 164 R HN 0.532 nan 8.270 nan 0.000 0.458 165 E N 2.696 122.862 120.200 -0.057 0.000 2.216 165 E HA 0.292 4.642 4.350 -0.000 0.000 0.260 165 E C -1.376 175.168 176.600 -0.094 0.000 0.880 165 E CA -0.917 55.440 56.400 -0.071 0.000 0.765 165 E CB 0.923 30.587 29.700 -0.061 0.000 1.174 165 E HN 0.369 nan 8.360 nan 0.000 0.417 166 L N 5.673 126.821 121.223 -0.125 0.000 2.410 166 L HA 0.386 4.725 4.340 -0.000 0.000 0.273 166 L C -0.886 175.875 176.870 -0.182 0.000 1.152 166 L CA 0.356 55.102 54.840 -0.157 0.000 0.855 166 L CB 0.280 42.222 42.059 -0.196 0.000 1.129 166 L HN 0.660 nan 8.230 nan 0.000 0.463 167 I N 6.934 127.418 120.570 -0.143 0.000 2.331 167 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 167 I C -0.188 175.842 176.117 -0.145 0.000 0.998 167 I CA -0.112 61.109 61.300 -0.133 0.000 1.267 167 I CB 1.223 39.178 38.000 -0.076 0.000 1.386 167 I HN 0.575 nan 8.210 nan 0.000 0.476 168 I N 5.217 125.684 120.570 -0.173 0.000 2.692 168 I HA 0.845 5.015 4.170 -0.000 0.000 0.293 168 I C -0.583 175.509 176.117 -0.041 0.000 1.200 168 I CA 0.057 61.275 61.300 -0.137 0.000 1.036 168 I CB 1.973 39.834 38.000 -0.231 0.000 1.258 168 I HN 0.709 nan 8.210 nan 0.000 0.421 169 G N 4.863 113.670 108.800 0.011 0.000 2.322 169 G HA2 0.204 4.164 3.960 -0.000 0.000 0.295 169 G HA3 0.204 4.164 3.960 -0.000 0.000 0.295 169 G C -1.962 172.958 174.900 0.033 0.000 1.369 169 G CA -0.737 44.394 45.100 0.051 0.000 0.821 169 G HN 0.514 nan 8.290 nan 0.000 0.536 170 D N 0.242 120.660 120.400 0.031 0.000 2.384 170 D HA 0.350 4.990 4.640 -0.000 0.000 0.244 170 D C 1.239 177.533 176.300 -0.009 0.000 1.251 170 D CA -0.116 53.894 54.000 0.016 0.000 0.961 170 D CB 0.432 41.243 40.800 0.019 0.000 1.116 170 D HN 0.666 nan 8.370 nan 0.000 0.484 171 R N 0.706 121.201 120.500 -0.007 0.000 2.585 171 R HA -0.030 4.310 4.340 -0.000 0.000 0.275 171 R C -0.199 176.063 176.300 -0.063 0.000 1.018 171 R CA -0.093 55.995 56.100 -0.020 0.000 1.072 171 R CB 0.057 30.355 30.300 -0.004 0.000 0.953 171 R HN 0.224 nan 8.270 nan 0.000 0.419 172 Q N 0.478 120.230 119.800 -0.081 0.000 2.468 172 Q HA -0.167 4.173 4.340 -0.000 0.000 0.289 172 Q C 0.364 176.184 176.000 -0.299 0.000 1.299 172 Q CA 1.715 57.421 55.803 -0.162 0.000 0.838 172 Q CB -1.694 26.948 28.738 -0.159 0.000 1.195 172 Q HN 1.011 nan 8.270 nan 0.000 0.456 173 T N -5.245 109.193 114.554 -0.195 0.000 3.044 173 T HA 0.402 4.752 4.350 -0.000 0.000 0.250 173 T C 1.223 175.875 174.700 -0.079 0.000 1.081 173 T CA 0.850 62.828 62.100 -0.203 0.000 1.040 173 T CB 0.933 69.762 68.868 -0.064 0.000 0.962 173 T HN 0.818 nan 8.240 nan 0.000 0.506 174 G N 1.362 110.134 108.800 -0.047 0.000 2.145 174 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.145 174 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.145 174 G C 0.630 175.536 174.900 0.011 0.000 1.017 174 G CA 0.101 45.221 45.100 0.033 0.000 0.682 174 G HN 0.457 nan 8.290 nan 0.000 0.504 175 K N -0.219 120.180 120.400 -0.002 0.000 2.026 175 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 175 K C 2.552 179.159 176.600 0.013 0.000 1.048 175 K CA 1.902 58.189 56.287 0.000 0.000 0.929 175 K CB -0.244 32.253 32.500 -0.005 0.000 0.713 175 K HN 0.284 nan 8.250 nan 0.000 0.439 176 T N 0.849 115.420 114.554 0.027 0.000 2.867 176 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 176 T C 1.974 176.684 174.700 0.018 0.000 1.057 176 T CA 1.400 63.536 62.100 0.061 0.000 1.136 176 T CB -0.142 68.774 68.868 0.079 0.000 0.874 176 T HN 0.153 nan 8.240 nan 0.000 0.466 177 S N 1.497 117.183 115.700 -0.025 0.000 2.399 177 S HA -0.028 4.441 4.470 -0.000 0.000 0.231 177 S C 1.995 176.551 174.600 -0.074 0.000 1.022 177 S CA 0.662 58.807 58.200 -0.092 0.000 0.983 177 S CB -0.326 62.792 63.200 -0.136 0.000 0.803 177 S HN 0.358 nan 8.310 nan 0.000 0.480 178 I N 2.138 122.688 120.570 -0.033 0.000 2.226 178 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 178 I C 2.783 178.897 176.117 -0.005 0.000 1.100 178 I CA 1.296 62.583 61.300 -0.022 0.000 1.374 178 I CB -1.732 36.260 38.000 -0.013 0.000 1.057 178 I HN 0.263 nan 8.210 nan 0.000 0.413 179 A N 1.548 124.380 122.820 0.020 0.000 1.865 179 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 179 A C 2.202 179.812 177.584 0.044 0.000 1.191 179 A CA 1.518 53.589 52.037 0.056 0.000 0.623 179 A CB -0.616 18.470 19.000 0.143 0.000 0.826 179 A HN 0.281 nan 8.150 nan 0.000 0.444 180 I N 0.524 121.100 120.570 0.009 0.000 2.202 180 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 180 I C 1.871 177.999 176.117 0.017 0.000 1.091 180 I CA 1.472 62.769 61.300 -0.005 0.000 1.368 180 I CB -1.883 36.107 38.000 -0.016 0.000 1.058 180 I HN 0.273 nan 8.210 nan 0.000 0.410 181 D N 1.018 121.408 120.400 -0.017 0.000 2.157 181 D HA -0.192 4.448 4.640 -0.000 0.000 0.191 181 D C 2.162 178.476 176.300 0.025 0.000 1.004 181 D CA 2.018 56.015 54.000 -0.005 0.000 0.854 181 D CB -0.476 40.299 40.800 -0.042 0.000 0.936 181 D HN 0.279 nan 8.370 nan 0.000 0.446 182 T N 0.989 115.559 114.554 0.026 0.000 2.720 182 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 182 T C 2.206 176.947 174.700 0.068 0.000 1.037 182 T CA 0.676 62.800 62.100 0.040 0.000 1.144 182 T CB -0.209 68.676 68.868 0.029 0.000 0.864 182 T HN 0.190 nan 8.240 nan 0.000 0.444 183 I N 0.907 121.525 120.570 0.080 0.000 2.252 183 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 183 I C 2.228 178.455 176.117 0.183 0.000 1.102 183 I CA 0.892 62.274 61.300 0.137 0.000 1.385 183 I CB -0.462 37.600 38.000 0.103 0.000 1.064 183 I HN 0.198 nan 8.210 nan 0.000 0.414 184 I N 1.020 121.658 120.570 0.114 0.000 2.099 184 I HA -0.340 3.830 4.170 -0.000 0.000 0.239 184 I C 2.335 178.506 176.117 0.090 0.000 1.066 184 I CA 1.795 63.161 61.300 0.109 0.000 1.324 184 I CB -1.959 36.089 38.000 0.079 0.000 1.037 184 I HN 0.331 nan 8.210 nan 0.000 0.401 185 N N 1.114 119.841 118.700 0.045 0.000 2.144 185 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 185 N C 1.706 177.176 175.510 -0.067 0.000 1.006 185 N CA 1.512 54.556 53.050 -0.010 0.000 0.880 185 N CB -0.104 38.405 38.487 0.036 0.000 1.018 185 N HN 0.320 nan 8.380 nan 0.000 0.443 186 Q N 0.362 120.164 119.800 0.003 0.000 2.364 186 Q HA -0.116 4.224 4.340 -0.000 0.000 0.209 186 Q C 1.763 177.578 176.000 -0.308 0.000 0.977 186 Q CA 0.714 56.473 55.803 -0.072 0.000 0.885 186 Q CB -0.291 28.341 28.738 -0.177 0.000 0.941 186 Q HN 0.552 nan 8.270 nan 0.000 0.464 187 K N 1.061 121.341 120.400 -0.200 0.000 2.074 187 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 187 K C 1.971 178.420 176.600 -0.251 0.000 1.048 187 K CA 1.253 57.455 56.287 -0.141 0.000 0.926 187 K CB 0.084 32.601 32.500 0.029 0.000 0.713 187 K HN 0.124 nan 8.250 nan 0.000 0.444 188 R N -0.531 119.722 120.500 -0.411 0.000 2.094 188 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 188 R C 2.250 178.265 176.300 -0.475 0.000 1.137 188 R CA 2.238 58.017 56.100 -0.535 0.000 0.943 188 R CB -0.460 29.292 30.300 -0.914 0.000 0.850 188 R HN 0.216 nan 8.270 nan 0.000 0.433 189 F N 0.322 120.184 119.950 -0.147 0.000 2.335 189 F HA 0.035 4.562 4.527 -0.000 0.000 0.296 189 F C 1.984 177.678 175.800 -0.176 0.000 1.091 189 F CA 0.400 58.314 58.000 -0.142 0.000 1.399 189 F CB -0.450 38.463 39.000 -0.145 0.000 1.067 189 F HN -0.065 nan 8.300 nan 0.000 0.520 190 N N 0.243 118.865 118.700 -0.131 0.000 2.331 190 N HA -0.124 4.616 4.740 -0.000 0.000 0.180 190 N C 1.158 176.597 175.510 -0.118 0.000 1.019 190 N CA 1.165 54.071 53.050 -0.241 0.000 0.881 190 N CB -0.331 37.801 38.487 -0.591 0.000 0.972 190 N HN 0.201 nan 8.380 nan 0.000 0.435 191 D N -0.318 120.024 120.400 -0.096 0.000 2.305 191 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 191 D C 1.180 177.461 176.300 -0.032 0.000 0.974 191 D CA 0.206 54.177 54.000 -0.048 0.000 0.871 191 D CB -0.177 40.595 40.800 -0.047 0.000 0.947 191 D HN 0.119 nan 8.370 nan 0.000 0.516 192 G N -0.066 108.715 108.800 -0.030 0.000 2.631 192 G HA2 0.196 4.156 3.960 -0.000 0.000 0.271 192 G HA3 0.196 4.156 3.960 -0.000 0.000 0.271 192 G C 1.056 175.965 174.900 0.014 0.000 1.302 192 G CA 0.555 45.654 45.100 -0.001 0.000 1.002 192 G HN 0.187 nan 8.290 nan 0.000 0.519 193 T N -3.262 111.305 114.554 0.022 0.000 3.023 193 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 193 T C 0.696 175.414 174.700 0.031 0.000 1.038 193 T CA 0.298 62.412 62.100 0.024 0.000 0.962 193 T CB 0.347 69.226 68.868 0.018 0.000 1.018 193 T HN 0.340 nan 8.240 nan 0.000 0.521 194 D N 2.432 122.857 120.400 0.041 0.000 2.545 194 D HA 0.102 4.742 4.640 -0.000 0.000 0.227 194 D C 0.911 177.235 176.300 0.042 0.000 1.150 194 D CA -0.017 54.007 54.000 0.040 0.000 1.046 194 D CB 0.202 41.030 40.800 0.047 0.000 1.098 194 D HN 0.440 nan 8.370 nan 0.000 0.502 195 E N 0.966 121.190 120.200 0.041 0.000 2.273 195 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 195 E C 1.203 177.837 176.600 0.056 0.000 1.002 195 E CA 0.982 57.413 56.400 0.050 0.000 0.828 195 E CB 0.353 30.084 29.700 0.052 0.000 0.747 195 E HN 0.271 nan 8.360 nan 0.000 0.491 196 K N 0.523 120.953 120.400 0.050 0.000 2.288 196 K HA -0.032 4.288 4.320 -0.000 0.000 0.201 196 K C 1.556 178.211 176.600 0.091 0.000 1.048 196 K CA 0.750 57.083 56.287 0.076 0.000 0.956 196 K CB 0.153 32.688 32.500 0.057 0.000 0.746 196 K HN -0.053 nan 8.250 nan 0.000 0.461 197 K N 0.592 120.997 120.400 0.008 0.000 2.393 197 K HA 0.083 4.403 4.320 -0.000 0.000 0.193 197 K C -0.109 176.428 176.600 -0.105 0.000 1.026 197 K CA 0.104 56.319 56.287 -0.120 0.000 1.064 197 K CB 0.314 32.695 32.500 -0.198 0.000 0.833 197 K HN 0.063 nan 8.250 nan 0.000 0.521 198 K N 1.199 121.601 120.400 0.002 0.000 2.319 198 K HA 0.139 4.459 4.320 -0.000 0.000 0.265 198 K C -0.647 175.912 176.600 -0.068 0.000 1.000 198 K CA -0.086 56.163 56.287 -0.062 0.000 0.943 198 K CB 0.498 32.952 32.500 -0.075 0.000 0.950 198 K HN -0.157 nan 8.250 nan 0.000 0.485 199 L N 3.307 124.376 121.223 -0.256 0.000 2.528 199 L HA 0.287 4.626 4.340 -0.000 0.000 0.267 199 L C -1.799 174.862 176.870 -0.349 0.000 0.961 199 L CA -0.381 54.353 54.840 -0.176 0.000 0.866 199 L CB 0.910 42.903 42.059 -0.109 0.000 1.248 199 L HN 0.450 nan 8.230 nan 0.000 0.404 200 Y N 3.198 123.369 120.300 -0.215 0.000 2.304 200 Y HA 0.500 5.050 4.550 -0.000 0.000 0.328 200 Y C 0.597 176.406 175.900 -0.152 0.000 1.123 200 Y CA -0.133 57.807 58.100 -0.266 0.000 1.218 200 Y CB 0.962 38.956 38.460 -0.777 0.000 1.207 200 Y HN 0.531 nan 8.280 nan 0.000 0.495 201 C N 4.225 123.600 119.300 0.125 0.000 2.397 201 C HA 0.734 5.194 4.460 -0.000 0.000 0.343 201 C C -0.043 174.993 174.990 0.078 0.000 1.188 201 C CA -1.145 57.931 59.018 0.097 0.000 1.992 201 C CB 0.290 28.123 27.740 0.156 0.000 2.358 201 C HN 0.653 nan 8.230 nan 0.000 0.518 202 I N 1.815 122.415 120.570 0.049 0.000 2.497 202 I HA 0.215 4.385 4.170 -0.000 0.000 0.284 202 I C -1.082 175.051 176.117 0.026 0.000 1.060 202 I CA -0.274 61.054 61.300 0.047 0.000 1.071 202 I CB 0.811 38.828 38.000 0.028 0.000 1.216 202 I HN 0.635 nan 8.210 nan 0.000 0.442 203 Y N 7.247 127.527 120.300 -0.034 0.000 2.353 203 Y HA 0.591 5.141 4.550 -0.000 0.000 0.340 203 Y C -0.607 175.277 175.900 -0.025 0.000 0.972 203 Y CA -0.645 57.429 58.100 -0.043 0.000 1.157 203 Y CB 1.067 39.512 38.460 -0.025 0.000 1.157 203 Y HN 0.269 nan 8.280 nan 0.000 0.495 204 V N 6.657 126.280 119.914 -0.485 0.000 2.364 204 V HA 0.623 4.743 4.120 -0.000 0.000 0.272 204 V C 0.022 175.862 176.094 -0.423 0.000 1.036 204 V CA -0.499 61.624 62.300 -0.295 0.000 0.880 204 V CB 0.604 32.364 31.823 -0.104 0.000 0.991 204 V HN 0.905 nan 8.190 nan 0.000 0.460 205 A N 6.869 129.594 122.820 -0.158 0.000 2.287 205 A HA 0.892 5.212 4.320 -0.000 0.000 0.317 205 A C -0.807 176.772 177.584 -0.008 0.000 1.220 205 A CA -0.398 51.610 52.037 -0.049 0.000 0.835 205 A CB 0.407 19.502 19.000 0.158 0.000 1.180 205 A HN 0.733 nan 8.150 nan 0.000 0.500 206 I N 1.831 122.394 120.570 -0.012 0.000 2.447 206 I HA 0.590 4.760 4.170 -0.000 0.000 0.287 206 I C 1.086 177.218 176.117 0.025 0.000 1.023 206 I CA 0.480 61.784 61.300 0.007 0.000 1.083 206 I CB 1.952 39.947 38.000 -0.007 0.000 1.245 206 I HN 1.033 nan 8.210 nan 0.000 0.434 207 G N 3.601 112.421 108.800 0.032 0.000 2.212 207 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.266 207 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.266 207 G C 0.343 175.266 174.900 0.039 0.000 0.978 207 G CA -0.008 45.114 45.100 0.036 0.000 0.632 207 G HN 0.608 nan 8.290 nan 0.000 0.537 208 Q N 0.418 120.246 119.800 0.046 0.000 2.471 208 Q HA 0.462 4.802 4.340 -0.000 0.000 0.223 208 Q C 0.717 176.745 176.000 0.046 0.000 1.045 208 Q CA 0.208 56.042 55.803 0.052 0.000 0.956 208 Q CB 0.510 29.294 28.738 0.075 0.000 1.249 208 Q HN 0.654 nan 8.270 nan 0.000 0.549 209 K N -0.043 120.383 120.400 0.043 0.000 2.118 209 K HA 0.253 4.573 4.320 -0.000 0.000 0.264 209 K C 0.240 176.862 176.600 0.037 0.000 1.000 209 K CA -0.542 55.766 56.287 0.035 0.000 0.929 209 K CB 1.048 33.565 32.500 0.029 0.000 1.021 209 K HN 0.402 nan 8.250 nan 0.000 0.463 210 R N 0.864 121.383 120.500 0.032 0.000 2.152 210 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 210 R C 2.017 178.332 176.300 0.025 0.000 1.117 210 R CA 1.665 57.783 56.100 0.031 0.000 0.981 210 R CB -0.286 30.029 30.300 0.026 0.000 0.870 210 R HN 0.723 nan 8.270 nan 0.000 0.451 211 S N 0.200 115.913 115.700 0.022 0.000 2.359 211 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 211 S C 1.919 176.530 174.600 0.018 0.000 1.035 211 S CA 1.919 60.129 58.200 0.017 0.000 1.018 211 S CB -0.447 62.762 63.200 0.016 0.000 0.876 211 S HN 0.345 nan 8.310 nan 0.000 0.448 212 T N 2.265 116.834 114.554 0.025 0.000 2.833 212 T HA -0.040 4.310 4.350 -0.000 0.000 0.269 212 T C 1.934 176.648 174.700 0.025 0.000 1.054 212 T CA 1.107 63.224 62.100 0.028 0.000 1.135 212 T CB -0.442 68.450 68.868 0.040 0.000 0.869 212 T HN 0.207 nan 8.240 nan 0.000 0.466 213 V N 1.769 121.704 119.914 0.035 0.000 2.270 213 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 213 V C 2.933 179.028 176.094 0.003 0.000 1.043 213 V CA 1.607 63.928 62.300 0.035 0.000 1.014 213 V CB -1.364 30.495 31.823 0.060 0.000 0.645 213 V HN 0.516 nan 8.190 nan 0.000 0.447 214 A N -0.463 122.360 122.820 0.005 0.000 1.884 214 A HA -0.332 3.987 4.320 -0.000 0.000 0.219 214 A C 2.197 179.769 177.584 -0.020 0.000 1.197 214 A CA 2.260 54.293 52.037 -0.006 0.000 0.637 214 A CB -0.609 18.390 19.000 -0.000 0.000 0.827 214 A HN 0.588 nan 8.150 nan 0.000 0.450 215 Q N -0.909 118.882 119.800 -0.015 0.000 2.030 215 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 215 Q C 2.201 178.175 176.000 -0.044 0.000 0.986 215 Q CA 1.325 57.114 55.803 -0.024 0.000 0.843 215 Q CB -0.772 27.962 28.738 -0.008 0.000 0.904 215 Q HN 0.627 nan 8.270 nan 0.000 0.420 216 L N 1.590 122.780 121.223 -0.055 0.000 1.997 216 L HA -0.160 4.180 4.340 -0.000 0.000 0.216 216 L C 2.389 179.186 176.870 -0.121 0.000 1.074 216 L CA 2.361 57.134 54.840 -0.112 0.000 0.763 216 L CB -1.322 40.633 42.059 -0.173 0.000 0.890 216 L HN 0.230 nan 8.230 nan 0.000 0.434 217 V N -1.905 117.955 119.914 -0.091 0.000 2.913 217 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 217 V C 2.554 178.601 176.094 -0.078 0.000 1.098 217 V CA 1.813 64.063 62.300 -0.083 0.000 1.121 217 V CB -0.945 30.847 31.823 -0.052 0.000 0.714 217 V HN 0.584 nan 8.190 nan 0.000 0.487 218 K N 0.634 120.991 120.400 -0.072 0.000 2.044 218 K HA -0.122 4.197 4.320 -0.000 0.000 0.204 218 K C 2.429 178.974 176.600 -0.093 0.000 1.049 218 K CA 1.159 57.403 56.287 -0.072 0.000 0.945 218 K CB -0.198 32.265 32.500 -0.062 0.000 0.724 218 K HN 0.385 nan 8.250 nan 0.000 0.440 219 R N 1.045 121.483 120.500 -0.104 0.000 2.081 219 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 219 R C 2.157 178.393 176.300 -0.106 0.000 1.131 219 R CA 1.472 57.492 56.100 -0.133 0.000 0.960 219 R CB -0.547 29.685 30.300 -0.113 0.000 0.856 219 R HN 0.262 nan 8.270 nan 0.000 0.436 220 L N -0.692 120.471 121.223 -0.100 0.000 2.083 220 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 220 L C 2.123 178.920 176.870 -0.121 0.000 1.083 220 L CA 1.857 56.628 54.840 -0.114 0.000 0.752 220 L CB -0.625 41.349 42.059 -0.141 0.000 0.899 220 L HN 0.287 nan 8.230 nan 0.000 0.433 221 T N -1.428 113.063 114.554 -0.105 0.000 2.812 221 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 221 T C 1.413 176.062 174.700 -0.083 0.000 1.042 221 T CA 1.168 63.212 62.100 -0.094 0.000 1.140 221 T CB -0.220 68.603 68.868 -0.074 0.000 0.870 221 T HN 0.259 nan 8.240 nan 0.000 0.445 222 D N 1.678 122.026 120.400 -0.086 0.000 2.182 222 D HA -0.000 4.639 4.640 -0.000 0.000 0.201 222 D C 1.966 178.220 176.300 -0.077 0.000 0.986 222 D CA 0.979 54.929 54.000 -0.084 0.000 0.847 222 D CB -0.250 40.486 40.800 -0.106 0.000 0.942 222 D HN 0.447 nan 8.370 nan 0.000 0.467 223 A N -0.057 122.716 122.820 -0.078 0.000 2.275 223 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 223 A C 0.568 178.123 177.584 -0.049 0.000 1.201 223 A CA 0.545 52.550 52.037 -0.054 0.000 0.843 223 A CB 0.133 19.112 19.000 -0.034 0.000 0.873 223 A HN 0.054 nan 8.150 nan 0.000 0.492 224 D N -3.002 117.354 120.400 -0.073 0.000 2.981 224 D HA -0.202 4.438 4.640 -0.000 0.000 0.223 224 D C 0.793 177.009 176.300 -0.140 0.000 1.151 224 D CA 1.101 55.055 54.000 -0.076 0.000 0.827 224 D CB -1.305 39.478 40.800 -0.029 0.000 1.101 224 D HN 0.506 nan 8.370 nan 0.000 0.426 225 A N -0.768 121.904 122.820 -0.247 0.000 2.147 225 A HA 0.116 4.435 4.320 -0.000 0.000 0.211 225 A C 2.099 179.216 177.584 -0.779 0.000 1.160 225 A CA 0.601 52.267 52.037 -0.617 0.000 0.781 225 A CB -0.075 18.739 19.000 -0.309 0.000 0.842 225 A HN 0.288 nan 8.150 nan 0.000 0.475 226 M N 1.180 120.546 119.600 -0.390 0.000 2.202 226 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 226 M C 1.929 178.065 176.300 -0.272 0.000 1.063 226 M CA 1.859 56.990 55.300 -0.282 0.000 1.097 226 M CB -0.998 31.512 32.600 -0.150 0.000 1.382 226 M HN 0.667 nan 8.290 nan 0.000 0.413 227 K N 0.113 120.356 120.400 -0.261 0.000 2.152 227 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 227 K C 1.111 177.704 176.600 -0.011 0.000 1.048 227 K CA 1.817 58.050 56.287 -0.090 0.000 0.933 227 K CB -0.777 31.723 32.500 -0.000 0.000 0.721 227 K HN 0.534 nan 8.250 nan 0.000 0.447 228 Y N -0.109 120.194 120.300 0.006 0.000 2.612 228 Y HA 0.437 4.987 4.550 -0.000 0.000 0.250 228 Y C -0.383 175.534 175.900 0.028 0.000 1.175 228 Y CA -1.031 57.075 58.100 0.010 0.000 1.205 228 Y CB -0.075 38.281 38.460 -0.174 0.000 1.201 228 Y HN -0.241 nan 8.280 nan 0.000 0.532 229 T N 2.724 117.211 114.554 -0.112 0.000 2.855 229 T HA 0.634 4.984 4.350 -0.000 0.000 0.281 229 T C -0.431 174.287 174.700 0.030 0.000 1.007 229 T CA -0.400 61.685 62.100 -0.024 0.000 1.009 229 T CB 1.827 70.623 68.868 -0.120 0.000 0.983 229 T HN 0.127 nan 8.240 nan 0.000 0.455 230 I N 1.906 122.523 120.570 0.078 0.000 2.441 230 I HA 0.519 4.689 4.170 -0.000 0.000 0.295 230 I C -0.605 175.566 176.117 0.090 0.000 0.994 230 I CA -1.143 60.208 61.300 0.084 0.000 1.144 230 I CB 1.922 39.989 38.000 0.112 0.000 1.314 230 I HN 0.241 nan 8.210 nan 0.000 0.445 231 V N 6.559 126.523 119.914 0.083 0.000 2.357 231 V HA 0.326 4.446 4.120 -0.000 0.000 0.284 231 V C -0.117 176.033 176.094 0.094 0.000 1.018 231 V CA -0.689 61.681 62.300 0.116 0.000 0.841 231 V CB 1.664 33.549 31.823 0.105 0.000 0.991 231 V HN 0.413 nan 8.190 nan 0.000 0.437 232 V N 4.101 124.068 119.914 0.088 0.000 2.350 232 V HA 0.472 4.591 4.120 -0.000 0.000 0.276 232 V C 0.290 176.420 176.094 0.060 0.000 1.028 232 V CA 0.024 62.361 62.300 0.060 0.000 0.860 232 V CB 1.625 33.474 31.823 0.043 0.000 0.990 232 V HN 0.833 nan 8.190 nan 0.000 0.453 233 S N 3.771 119.507 115.700 0.059 0.000 2.519 233 S HA 0.801 5.271 4.470 -0.000 0.000 0.309 233 S C -0.249 174.378 174.600 0.044 0.000 1.100 233 S CA -0.285 57.950 58.200 0.059 0.000 1.059 233 S CB 1.291 64.532 63.200 0.068 0.000 1.008 233 S HN 1.005 nan 8.310 nan 0.000 0.478 234 A N 3.990 126.832 122.820 0.036 0.000 2.545 234 A HA 0.610 4.930 4.320 -0.000 0.000 0.300 234 A C 0.321 177.923 177.584 0.031 0.000 1.252 234 A CA -0.700 51.354 52.037 0.029 0.000 0.753 234 A CB 0.160 19.172 19.000 0.020 0.000 1.144 234 A HN 0.765 nan 8.150 nan 0.000 0.457 235 T N -0.754 113.820 114.554 0.033 0.000 2.770 235 T HA 0.536 4.886 4.350 -0.000 0.000 0.281 235 T C 1.560 176.277 174.700 0.028 0.000 0.981 235 T CA 0.037 62.157 62.100 0.034 0.000 0.955 235 T CB 1.003 69.893 68.868 0.036 0.000 1.060 235 T HN 1.103 nan 8.240 nan 0.000 0.531 236 A N 0.550 123.387 122.820 0.028 0.000 2.131 236 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 236 A C 2.274 179.869 177.584 0.019 0.000 1.158 236 A CA 1.600 53.652 52.037 0.024 0.000 0.665 236 A CB -1.194 17.822 19.000 0.025 0.000 0.795 236 A HN 1.014 nan 8.150 nan 0.000 0.460 237 S N -0.955 114.756 115.700 0.018 0.000 2.540 237 S HA 0.138 4.608 4.470 -0.000 0.000 0.218 237 S C -0.274 174.334 174.600 0.013 0.000 0.977 237 S CA -0.443 57.766 58.200 0.014 0.000 0.918 237 S CB -0.047 63.162 63.200 0.015 0.000 0.806 237 S HN 0.333 nan 8.310 nan 0.000 0.496 238 D N 3.013 123.421 120.400 0.014 0.000 2.304 238 D HA 0.561 5.201 4.640 -0.000 0.000 0.250 238 D C 0.459 176.756 176.300 -0.006 0.000 1.107 238 D CA 0.076 54.081 54.000 0.008 0.000 0.885 238 D CB 1.454 42.261 40.800 0.011 0.000 1.192 238 D HN 0.432 nan 8.370 nan 0.000 0.436 239 A N 1.752 124.562 122.820 -0.017 0.000 2.547 239 A HA 0.273 4.593 4.320 -0.000 0.000 0.233 239 A C 1.546 179.095 177.584 -0.058 0.000 1.067 239 A CA 0.518 52.533 52.037 -0.036 0.000 0.763 239 A CB 0.095 19.070 19.000 -0.042 0.000 1.007 239 A HN 0.658 nan 8.150 nan 0.000 0.506 240 A N 2.599 125.392 122.820 -0.045 0.000 1.903 240 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 240 A C 0.120 177.684 177.584 -0.033 0.000 1.191 240 A CA 2.207 54.229 52.037 -0.026 0.000 0.638 240 A CB -1.777 17.207 19.000 -0.027 0.000 0.823 240 A HN 0.701 nan 8.150 nan 0.000 0.451 241 P HA -0.115 nan 4.420 nan 0.000 0.218 241 P C 1.459 178.582 177.300 -0.294 0.000 1.149 241 P CA 0.984 63.947 63.100 -0.228 0.000 0.817 241 P CB -0.232 31.114 31.700 -0.589 0.000 0.785 242 L N -0.636 120.380 121.223 -0.345 0.000 2.056 242 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 242 L C 2.825 179.672 176.870 -0.038 0.000 1.078 242 L CA 1.533 56.268 54.840 -0.174 0.000 0.749 242 L CB -1.240 40.759 42.059 -0.100 0.000 0.901 242 L HN -0.057 nan 8.230 nan 0.000 0.433 243 Q N -1.200 118.600 119.800 -0.000 0.000 2.224 243 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 243 Q C 2.058 178.115 176.000 0.095 0.000 0.970 243 Q CA 1.454 57.283 55.803 0.042 0.000 0.865 243 Q CB -0.197 28.571 28.738 0.050 0.000 0.922 243 Q HN 0.515 nan 8.270 nan 0.000 0.445 244 Y N 0.888 121.192 120.300 0.007 0.000 2.220 244 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 244 Y C 1.650 177.626 175.900 0.126 0.000 1.129 244 Y CA 1.149 59.292 58.100 0.071 0.000 1.161 244 Y CB -0.228 38.297 38.460 0.107 0.000 0.997 244 Y HN -0.022 nan 8.280 nan 0.000 0.522 245 L N -0.010 121.112 121.223 -0.169 0.000 2.141 245 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 245 L C 2.803 179.661 176.870 -0.021 0.000 1.094 245 L CA 0.912 55.667 54.840 -0.142 0.000 0.763 245 L CB -1.037 41.003 42.059 -0.031 0.000 0.908 245 L HN 0.389 nan 8.230 nan 0.000 0.437 246 A N 1.057 123.861 122.820 -0.026 0.000 1.896 246 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 246 A C -0.098 177.473 177.584 -0.021 0.000 1.206 246 A CA 2.300 54.333 52.037 -0.008 0.000 0.647 246 A CB -1.979 17.021 19.000 0.001 0.000 0.828 246 A HN 0.302 nan 8.150 nan 0.000 0.455 247 P HA -0.163 nan 4.420 nan 0.000 0.214 247 P C 1.041 178.238 177.300 -0.172 0.000 1.163 247 P CA 1.475 64.463 63.100 -0.187 0.000 0.883 247 P CB -0.294 30.984 31.700 -0.703 0.000 0.788 248 Y N 0.772 120.996 120.300 -0.128 0.000 2.097 248 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 248 Y C 2.729 178.616 175.900 -0.022 0.000 1.152 248 Y CA 1.967 60.007 58.100 -0.101 0.000 1.136 248 Y CB -1.792 36.553 38.460 -0.192 0.000 0.975 248 Y HN 0.007 nan 8.280 nan 0.000 0.498 249 S N -0.675 115.098 115.700 0.121 0.000 2.400 249 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 249 S C 2.333 176.985 174.600 0.087 0.000 1.025 249 S CA 1.068 59.322 58.200 0.090 0.000 0.993 249 S CB -1.195 62.048 63.200 0.072 0.000 0.808 249 S HN 0.544 nan 8.310 nan 0.000 0.478 250 G N 0.299 109.155 108.800 0.093 0.000 2.408 250 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.215 250 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.215 250 G C 1.634 176.602 174.900 0.113 0.000 1.156 250 G CA 0.656 45.812 45.100 0.093 0.000 0.793 250 G HN 0.598 nan 8.290 nan 0.000 0.535 251 C N 0.985 120.380 119.300 0.158 0.000 2.413 251 C HA -0.049 4.411 4.460 -0.000 0.000 0.276 251 C C 3.255 178.325 174.990 0.132 0.000 1.236 251 C CA 1.838 60.953 59.018 0.162 0.000 1.735 251 C CB -0.931 26.923 27.740 0.190 0.000 2.031 251 C HN 0.363 nan 8.230 nan 0.000 0.474 252 S N 0.669 116.440 115.700 0.119 0.000 2.383 252 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 252 S C 1.739 176.398 174.600 0.099 0.000 1.030 252 S CA 2.061 60.320 58.200 0.098 0.000 1.002 252 S CB -0.432 62.815 63.200 0.079 0.000 0.829 252 S HN 0.669 nan 8.310 nan 0.000 0.467 253 M N 0.989 120.651 119.600 0.103 0.000 2.108 253 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 253 M C 2.489 178.915 176.300 0.211 0.000 1.066 253 M CA 1.620 56.985 55.300 0.109 0.000 1.107 253 M CB -0.845 31.822 32.600 0.111 0.000 1.356 253 M HN 0.482 nan 8.290 nan 0.000 0.406 254 G N -0.068 108.875 108.800 0.238 0.000 2.448 254 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 254 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 254 G C 1.225 176.307 174.900 0.302 0.000 1.135 254 G CA 0.359 45.665 45.100 0.344 0.000 0.784 254 G HN 0.519 nan 8.290 nan 0.000 0.543 255 E N -0.656 119.649 120.200 0.175 0.000 2.347 255 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 255 E C 1.784 178.421 176.600 0.060 0.000 1.008 255 E CA 0.188 56.656 56.400 0.113 0.000 0.852 255 E CB -0.155 29.593 29.700 0.081 0.000 0.783 255 E HN 0.623 nan 8.360 nan 0.000 0.505 256 Y N 0.300 120.524 120.300 -0.126 0.000 2.224 256 Y HA -0.236 4.314 4.550 -0.000 0.000 0.289 256 Y C 1.506 177.188 175.900 -0.364 0.000 1.146 256 Y CA 1.511 59.428 58.100 -0.306 0.000 1.182 256 Y CB -0.062 38.087 38.460 -0.518 0.000 0.983 256 Y HN -0.066 nan 8.280 nan 0.000 0.524 257 F N -0.249 119.750 119.950 0.081 0.000 2.187 257 F HA 0.001 4.528 4.527 -0.000 0.000 0.295 257 F C 2.682 178.440 175.800 -0.070 0.000 1.091 257 F CA 1.427 59.406 58.000 -0.035 0.000 1.308 257 F CB -0.727 38.270 39.000 -0.005 0.000 1.030 257 F HN -0.131 nan 8.300 nan 0.000 0.487 258 R N 0.645 121.238 120.500 0.154 0.000 2.081 258 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 258 R C 1.062 177.375 176.300 0.021 0.000 1.131 258 R CA 1.935 58.093 56.100 0.097 0.000 0.960 258 R CB -0.361 29.999 30.300 0.101 0.000 0.856 258 R HN 0.145 nan 8.270 nan 0.000 0.436 259 D N -0.121 120.256 120.400 -0.039 0.000 2.355 259 D HA -0.020 4.619 4.640 -0.000 0.000 0.218 259 D C -0.149 176.077 176.300 -0.123 0.000 1.004 259 D CA 0.662 54.627 54.000 -0.058 0.000 0.880 259 D CB 0.103 40.864 40.800 -0.064 0.000 0.911 259 D HN 0.211 nan 8.370 nan 0.000 0.528 260 N N -0.740 117.846 118.700 -0.190 0.000 2.541 260 N HA 0.311 5.051 4.740 -0.000 0.000 0.297 260 N C 0.788 176.215 175.510 -0.138 0.000 1.503 260 N CA 0.041 52.960 53.050 -0.219 0.000 0.919 260 N CB 1.196 39.427 38.487 -0.426 0.000 1.305 260 N HN -0.020 nan 8.380 nan 0.000 0.501 261 G N 0.037 108.780 108.800 -0.095 0.000 2.186 261 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.266 261 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.266 261 G C 0.247 175.033 174.900 -0.190 0.000 0.982 261 G CA 0.709 45.746 45.100 -0.105 0.000 0.670 261 G HN 0.373 nan 8.290 nan 0.000 0.533 262 K N -0.136 120.180 120.400 -0.139 0.000 2.132 262 K HA 0.643 4.963 4.320 -0.000 0.000 0.241 262 K C -0.213 176.267 176.600 -0.200 0.000 1.000 262 K CA -0.853 55.358 56.287 -0.126 0.000 0.911 262 K CB 0.700 33.269 32.500 0.115 0.000 1.093 262 K HN 0.317 nan 8.250 nan 0.000 0.460 263 H N -0.333 118.838 119.070 0.168 0.000 2.529 263 H HA 0.500 5.056 4.556 -0.000 0.000 0.348 263 H C -0.950 174.435 175.328 0.095 0.000 1.079 263 H CA -0.815 55.298 56.048 0.108 0.000 1.198 263 H CB 1.834 31.619 29.762 0.039 0.000 1.521 263 H HN 0.678 nan 8.280 nan 0.000 0.514 264 A N 2.916 125.846 122.820 0.183 0.000 2.374 264 A HA 0.580 4.900 4.320 -0.000 0.000 0.317 264 A C -1.132 176.478 177.584 0.043 0.000 1.094 264 A CA -0.689 51.386 52.037 0.063 0.000 0.765 264 A CB 1.620 20.700 19.000 0.134 0.000 1.268 264 A HN 0.473 nan 8.150 nan 0.000 0.438 265 L N 1.987 123.211 121.223 0.002 0.000 2.356 265 L HA 0.804 5.144 4.340 -0.000 0.000 0.277 265 L C -1.066 175.764 176.870 -0.066 0.000 0.996 265 L CA -0.424 54.399 54.840 -0.028 0.000 0.822 265 L CB 1.310 43.359 42.059 -0.016 0.000 1.256 265 L HN 0.674 nan 8.230 nan 0.000 0.413 266 I N 5.123 125.601 120.570 -0.154 0.000 2.498 266 I HA 0.561 4.731 4.170 -0.000 0.000 0.290 266 I C -1.356 174.491 176.117 -0.449 0.000 1.032 266 I CA -0.451 60.662 61.300 -0.313 0.000 1.073 266 I CB 1.510 39.230 38.000 -0.468 0.000 1.251 266 I HN 0.605 nan 8.210 nan 0.000 0.426 267 I N 8.083 128.407 120.570 -0.411 0.000 2.378 267 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 267 I C -1.208 174.602 176.117 -0.510 0.000 0.992 267 I CA -0.188 60.890 61.300 -0.369 0.000 1.154 267 I CB 1.260 39.175 38.000 -0.143 0.000 1.315 267 I HN 0.337 nan 8.210 nan 0.000 0.448 268 Y N 4.167 124.322 120.300 -0.242 0.000 2.595 268 Y HA 0.393 4.943 4.550 -0.000 0.000 0.336 268 Y C -0.121 175.618 175.900 -0.268 0.000 0.996 268 Y CA -0.955 56.982 58.100 -0.272 0.000 1.260 268 Y CB 0.457 38.767 38.460 -0.250 0.000 1.108 268 Y HN 0.384 nan 8.280 nan 0.000 0.509 269 D N 3.279 123.553 120.400 -0.210 0.000 2.460 269 D HA 0.246 4.885 4.640 -0.000 0.000 0.232 269 D C -1.149 175.103 176.300 -0.079 0.000 1.079 269 D CA -0.429 53.484 54.000 -0.145 0.000 0.864 269 D CB 0.640 41.325 40.800 -0.192 0.000 1.048 269 D HN 0.522 nan 8.370 nan 0.000 0.523 270 D N 1.819 122.196 120.400 -0.038 0.000 2.414 270 D HA 0.299 4.939 4.640 -0.000 0.000 0.241 270 D C 1.290 177.552 176.300 -0.063 0.000 1.008 270 D CA -0.724 53.250 54.000 -0.043 0.000 1.001 270 D CB 1.571 42.357 40.800 -0.023 0.000 1.277 270 D HN 0.125 nan 8.370 nan 0.000 0.538 271 L N 0.144 121.296 121.223 -0.118 0.000 2.446 271 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 271 L C 1.755 178.601 176.870 -0.039 0.000 1.116 271 L CA 0.411 55.137 54.840 -0.190 0.000 0.844 271 L CB -0.150 41.587 42.059 -0.537 0.000 0.970 271 L HN 0.336 nan 8.230 nan 0.000 0.457 272 S N 0.332 116.021 115.700 -0.019 0.000 2.370 272 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 272 S C 1.873 176.536 174.600 0.104 0.000 1.033 272 S CA 1.388 59.619 58.200 0.051 0.000 1.011 272 S CB -0.087 63.138 63.200 0.043 0.000 0.852 272 S HN 0.396 nan 8.310 nan 0.000 0.457 273 K N 0.825 121.271 120.400 0.076 0.000 2.296 273 K HA 0.035 4.355 4.320 -0.000 0.000 0.200 273 K C 2.320 178.986 176.600 0.109 0.000 1.048 273 K CA 0.422 56.762 56.287 0.088 0.000 0.966 273 K CB -0.041 32.493 32.500 0.056 0.000 0.754 273 K HN 0.364 nan 8.250 nan 0.000 0.466 274 Q N 0.689 120.553 119.800 0.107 0.000 2.187 274 Q HA -0.050 4.290 4.340 -0.000 0.000 0.199 274 Q C 1.882 178.009 176.000 0.211 0.000 0.957 274 Q CA 1.020 56.905 55.803 0.136 0.000 0.857 274 Q CB 0.072 28.858 28.738 0.080 0.000 0.929 274 Q HN 0.276 nan 8.270 nan 0.000 0.453 275 A N 0.119 123.071 122.820 0.220 0.000 1.969 275 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 275 A C 2.148 179.969 177.584 0.395 0.000 1.169 275 A CA 1.089 53.276 52.037 0.251 0.000 0.635 275 A CB -0.436 18.650 19.000 0.144 0.000 0.810 275 A HN 0.271 nan 8.150 nan 0.000 0.445 276 V N -0.286 119.807 119.914 0.299 0.000 2.323 276 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 276 V C 3.054 179.222 176.094 0.124 0.000 1.041 276 V CA 1.745 64.167 62.300 0.203 0.000 1.025 276 V CB -0.996 30.910 31.823 0.139 0.000 0.656 276 V HN 0.604 nan 8.190 nan 0.000 0.451 277 A N -0.753 122.148 122.820 0.134 0.000 1.873 277 A HA -0.320 3.999 4.320 -0.000 0.000 0.218 277 A C 2.175 179.816 177.584 0.096 0.000 1.193 277 A CA 2.448 54.547 52.037 0.103 0.000 0.629 277 A CB -0.911 18.166 19.000 0.129 0.000 0.826 277 A HN 0.636 nan 8.150 nan 0.000 0.447 278 Y N 0.396 120.707 120.300 0.019 0.000 2.181 278 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 278 Y C 2.534 178.401 175.900 -0.054 0.000 1.146 278 Y CA 2.109 60.154 58.100 -0.092 0.000 1.164 278 Y CB -0.417 38.010 38.460 -0.054 0.000 0.982 278 Y HN 0.359 nan 8.280 nan 0.000 0.515 279 R N 0.413 120.940 120.500 0.046 0.000 2.117 279 R HA -0.277 4.063 4.340 -0.000 0.000 0.243 279 R C 2.437 178.634 176.300 -0.173 0.000 1.143 279 R CA 2.036 58.087 56.100 -0.081 0.000 0.968 279 R CB -0.439 29.784 30.300 -0.128 0.000 0.863 279 R HN 0.617 nan 8.270 nan 0.000 0.444 280 Q N 0.206 119.933 119.800 -0.121 0.000 2.020 280 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 280 Q C 2.084 177.998 176.000 -0.144 0.000 0.982 280 Q CA 2.038 57.773 55.803 -0.112 0.000 0.838 280 Q CB -0.104 28.594 28.738 -0.066 0.000 0.899 280 Q HN 0.438 nan 8.270 nan 0.000 0.423 281 M N 0.154 119.640 119.600 -0.189 0.000 2.117 281 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 281 M C 2.327 178.471 176.300 -0.259 0.000 1.065 281 M CA 1.658 56.831 55.300 -0.210 0.000 1.114 281 M CB 0.013 32.456 32.600 -0.261 0.000 1.361 281 M HN 0.200 nan 8.290 nan 0.000 0.408 282 S N 0.873 116.338 115.700 -0.391 0.000 2.356 282 S HA -0.083 4.387 4.470 -0.000 0.000 0.223 282 S C 1.855 176.342 174.600 -0.188 0.000 1.032 282 S CA 1.154 59.146 58.200 -0.348 0.000 1.005 282 S CB -0.514 62.412 63.200 -0.457 0.000 0.867 282 S HN 0.396 nan 8.310 nan 0.000 0.449 283 L N 0.951 122.076 121.223 -0.163 0.000 2.056 283 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 283 L C 2.155 178.973 176.870 -0.088 0.000 1.078 283 L CA 0.994 55.768 54.840 -0.109 0.000 0.749 283 L CB -0.608 41.388 42.059 -0.105 0.000 0.901 283 L HN 0.267 nan 8.230 nan 0.000 0.433 284 L N -0.665 120.504 121.223 -0.091 0.000 2.291 284 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 284 L C 2.030 178.869 176.870 -0.053 0.000 1.120 284 L CA 0.711 55.513 54.840 -0.063 0.000 0.799 284 L CB -0.240 41.785 42.059 -0.055 0.000 0.925 284 L HN 0.260 nan 8.230 nan 0.000 0.446 285 L N -0.896 120.285 121.223 -0.070 0.000 2.591 285 L HA 0.093 4.433 4.340 -0.000 0.000 0.228 285 L C 0.771 177.615 176.870 -0.042 0.000 1.133 285 L CA 0.121 54.931 54.840 -0.050 0.000 0.880 285 L CB -0.114 41.910 42.059 -0.058 0.000 1.033 285 L HN 0.181 nan 8.230 nan 0.000 0.450 286 R N 0.076 120.547 120.500 -0.049 0.000 3.654 286 R HA -0.130 4.210 4.340 -0.000 0.000 0.302 286 R C -0.167 176.113 176.300 -0.033 0.000 1.166 286 R CA 0.305 56.383 56.100 -0.036 0.000 0.810 286 R CB -1.389 28.897 30.300 -0.023 0.000 1.323 286 R HN 0.344 nan 8.270 nan 0.000 0.478 287 R N 1.152 121.625 120.500 -0.045 0.000 2.539 287 R HA 0.236 4.576 4.340 -0.000 0.000 0.275 287 R C -2.008 174.277 176.300 -0.025 0.000 1.077 287 R CA -1.623 54.458 56.100 -0.032 0.000 1.097 287 R CB 0.256 30.530 30.300 -0.044 0.000 1.018 287 R HN -0.087 nan 8.270 nan 0.000 0.483 288 P HA 0.088 nan 4.420 nan 0.000 0.267 288 P C -2.380 174.919 177.300 -0.002 0.000 1.205 288 P CA -1.003 62.094 63.100 -0.006 0.000 0.765 288 P CB 0.140 31.842 31.700 0.004 0.000 0.828 289 P HA 0.446 nan 4.420 nan 0.000 0.283 289 P C -0.067 177.230 177.300 -0.005 0.000 1.271 289 P CA -0.203 62.890 63.100 -0.011 0.000 0.841 289 P CB 1.784 33.462 31.700 -0.037 0.000 1.122 290 G N 0.264 109.065 108.800 0.002 0.000 3.253 290 G HA2 0.307 4.267 3.960 -0.000 0.000 0.175 290 G HA3 0.307 4.267 3.960 -0.000 0.000 0.175 290 G C -0.720 174.139 174.900 -0.069 0.000 1.098 290 G CA -0.696 44.384 45.100 -0.034 0.000 0.790 290 G HN 0.516 nan 8.290 nan 0.000 0.648 291 R N 0.914 121.304 120.500 -0.183 0.000 2.484 291 R HA 0.161 4.501 4.340 -0.000 0.000 0.293 291 R C 0.075 176.372 176.300 -0.006 0.000 1.023 291 R CA 0.822 56.800 56.100 -0.204 0.000 1.037 291 R CB -0.172 29.855 30.300 -0.454 0.000 0.951 291 R HN 0.695 nan 8.270 nan 0.000 0.418 292 E N 2.524 122.756 120.200 0.053 0.000 2.805 292 E HA -0.336 4.014 4.350 -0.000 0.000 0.266 292 E C 0.239 176.805 176.600 -0.056 0.000 1.092 292 E CA 0.585 57.046 56.400 0.102 0.000 0.781 292 E CB -1.051 28.860 29.700 0.353 0.000 1.379 292 E HN 0.890 nan 8.360 nan 0.000 0.433 293 A N -2.432 120.354 122.820 -0.057 0.000 3.021 293 A HA -0.296 4.024 4.320 -0.000 0.000 0.257 293 A C 0.023 177.525 177.584 -0.137 0.000 1.277 293 A CA 1.621 53.590 52.037 -0.112 0.000 1.012 293 A CB -2.126 16.782 19.000 -0.154 0.000 1.147 293 A HN 0.419 nan 8.150 nan 0.000 0.861 294 Y N 0.435 120.779 120.300 0.073 0.000 2.326 294 Y HA 0.458 5.008 4.550 -0.000 0.000 0.333 294 Y C -1.210 174.763 175.900 0.123 0.000 1.240 294 Y CA -1.147 57.043 58.100 0.151 0.000 1.365 294 Y CB 0.357 39.031 38.460 0.356 0.000 1.289 294 Y HN 0.264 nan 8.280 nan 0.000 0.548 295 P HA 0.076 nan 4.420 nan 0.000 0.276 295 P C 0.529 177.990 177.300 0.269 0.000 1.252 295 P CA -0.135 63.085 63.100 0.201 0.000 0.802 295 P CB 0.913 32.697 31.700 0.140 0.000 1.035 296 G N 0.852 109.771 108.800 0.199 0.000 2.448 296 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 296 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 296 G C 0.745 175.793 174.900 0.248 0.000 1.127 296 G CA 0.522 45.738 45.100 0.194 0.000 0.766 296 G HN 0.690 nan 8.290 nan 0.000 0.552 297 D N 0.430 120.999 120.400 0.283 0.000 2.460 297 D HA 0.099 4.739 4.640 -0.000 0.000 0.229 297 D C 1.671 178.144 176.300 0.289 0.000 1.170 297 D CA -0.320 53.878 54.000 0.330 0.000 0.827 297 D CB 0.479 41.505 40.800 0.376 0.000 0.973 297 D HN 0.125 nan 8.370 nan 0.000 0.496 298 V N 0.053 120.132 119.914 0.276 0.000 2.453 298 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 298 V C 1.884 177.941 176.094 -0.060 0.000 1.048 298 V CA 1.124 63.482 62.300 0.097 0.000 1.049 298 V CB -0.759 31.160 31.823 0.160 0.000 0.672 298 V HN 0.235 nan 8.190 nan 0.000 0.457 299 F N 0.010 119.930 119.950 -0.051 0.000 2.126 299 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 299 F C 2.169 177.992 175.800 0.040 0.000 1.096 299 F CA 2.402 60.374 58.000 -0.046 0.000 1.255 299 F CB -0.449 38.566 39.000 0.025 0.000 0.997 299 F HN 0.391 nan 8.300 nan 0.000 0.479 300 Y N 0.357 120.739 120.300 0.136 0.000 2.352 300 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 300 Y C 1.934 177.798 175.900 -0.061 0.000 1.136 300 Y CA 1.165 59.306 58.100 0.068 0.000 1.227 300 Y CB -0.812 37.726 38.460 0.129 0.000 0.991 300 Y HN 0.210 nan 8.280 nan 0.000 0.545 301 L N -0.041 121.030 121.223 -0.254 0.000 1.955 301 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 301 L C 2.441 179.186 176.870 -0.209 0.000 1.072 301 L CA 2.447 57.077 54.840 -0.351 0.000 0.755 301 L CB -0.960 40.770 42.059 -0.549 0.000 0.888 301 L HN 0.323 nan 8.230 nan 0.000 0.432 302 H N -1.507 117.395 119.070 -0.280 0.000 2.326 302 H HA -0.127 4.429 4.556 -0.000 0.000 0.301 302 H C 2.433 177.561 175.328 -0.333 0.000 1.081 302 H CA 1.191 57.031 56.048 -0.348 0.000 1.334 302 H CB -0.112 29.419 29.762 -0.386 0.000 1.385 302 H HN 0.562 nan 8.280 nan 0.000 0.504 303 S N 1.645 117.176 115.700 -0.282 0.000 2.365 303 S HA -0.293 4.177 4.470 -0.000 0.000 0.225 303 S C 2.111 176.680 174.600 -0.052 0.000 1.039 303 S CA 1.630 59.699 58.200 -0.219 0.000 1.033 303 S CB -0.433 62.644 63.200 -0.205 0.000 0.887 303 S HN 0.581 nan 8.310 nan 0.000 0.447 304 R N 0.640 121.137 120.500 -0.005 0.000 2.189 304 R HA 0.108 4.448 4.340 -0.000 0.000 0.223 304 R C 2.227 178.556 176.300 0.049 0.000 1.092 304 R CA 1.146 57.268 56.100 0.037 0.000 0.989 304 R CB -0.557 29.720 30.300 -0.037 0.000 0.876 304 R HN 0.472 nan 8.270 nan 0.000 0.457 305 L N 0.959 122.179 121.223 -0.005 0.000 2.022 305 L HA 0.037 4.377 4.340 -0.000 0.000 0.204 305 L C 2.162 178.975 176.870 -0.095 0.000 1.076 305 L CA 1.463 56.232 54.840 -0.118 0.000 0.749 305 L CB -0.377 41.408 42.059 -0.456 0.000 0.903 305 L HN 0.200 nan 8.230 nan 0.000 0.439 306 L N -0.376 120.779 121.223 -0.113 0.000 2.079 306 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 306 L C 2.594 179.459 176.870 -0.009 0.000 1.081 306 L CA 0.974 55.785 54.840 -0.049 0.000 0.752 306 L CB -0.825 41.177 42.059 -0.095 0.000 0.896 306 L HN 0.356 nan 8.230 nan 0.000 0.433 307 E N 0.466 120.661 120.200 -0.009 0.000 2.209 307 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 307 E C 2.194 178.806 176.600 0.019 0.000 0.993 307 E CA 0.946 57.352 56.400 0.009 0.000 0.819 307 E CB -0.198 29.515 29.700 0.022 0.000 0.745 307 E HN 0.470 nan 8.360 nan 0.000 0.477 308 R N 0.656 121.175 120.500 0.032 0.000 2.241 308 R HA 0.012 4.351 4.340 -0.000 0.000 0.224 308 R C 0.859 177.186 176.300 0.044 0.000 1.101 308 R CA 0.542 56.668 56.100 0.043 0.000 0.995 308 R CB -0.133 30.207 30.300 0.066 0.000 0.870 308 R HN -0.036 nan 8.270 nan 0.000 0.463 309 A N 1.130 123.975 122.820 0.042 0.000 2.454 309 A HA 0.561 4.881 4.320 -0.000 0.000 0.260 309 A C -0.167 177.428 177.584 0.018 0.000 1.106 309 A CA 0.214 52.272 52.037 0.035 0.000 0.780 309 A CB 0.348 19.365 19.000 0.028 0.000 1.044 309 A HN 0.302 nan 8.150 nan 0.000 0.498 310 A N 2.303 125.135 122.820 0.020 0.000 2.590 310 A HA 0.623 4.943 4.320 -0.000 0.000 0.294 310 A C -0.862 176.730 177.584 0.014 0.000 1.046 310 A CA -0.766 51.275 52.037 0.005 0.000 0.684 310 A CB 0.919 19.913 19.000 -0.009 0.000 1.279 310 A HN 0.880 nan 8.150 nan 0.000 0.415 311 K N 2.467 122.868 120.400 0.001 0.000 2.266 311 K HA 0.518 4.838 4.320 -0.000 0.000 0.274 311 K C -0.383 176.221 176.600 0.005 0.000 1.090 311 K CA -0.347 55.947 56.287 0.012 0.000 0.925 311 K CB 0.006 32.503 32.500 -0.005 0.000 1.225 311 K HN 0.606 nan 8.250 nan 0.000 0.458 312 M N 3.167 122.784 119.600 0.029 0.000 2.238 312 M HA 0.116 4.596 4.480 -0.000 0.000 0.347 312 M C 0.339 176.675 176.300 0.061 0.000 1.173 312 M CA -0.355 54.956 55.300 0.019 0.000 1.147 312 M CB 0.045 32.681 32.600 0.061 0.000 1.547 312 M HN 0.676 nan 8.290 nan 0.000 0.455 313 N N 1.463 120.206 118.700 0.071 0.000 2.381 313 N HA 0.094 4.834 4.740 -0.000 0.000 0.254 313 N C 0.187 175.796 175.510 0.164 0.000 1.264 313 N CA -0.307 52.813 53.050 0.117 0.000 0.942 313 N CB 0.473 39.038 38.487 0.130 0.000 1.190 313 N HN 0.483 nan 8.380 nan 0.000 0.495 314 D N -0.275 120.193 120.400 0.114 0.000 2.190 314 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 314 D C 1.358 177.704 176.300 0.076 0.000 0.992 314 D CA 1.825 55.874 54.000 0.082 0.000 0.854 314 D CB -0.240 40.591 40.800 0.052 0.000 0.936 314 D HN 0.736 nan 8.370 nan 0.000 0.462 315 A N 0.169 123.052 122.820 0.106 0.000 2.119 315 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 315 A C 1.216 178.718 177.584 -0.136 0.000 1.153 315 A CA 0.631 52.662 52.037 -0.011 0.000 0.692 315 A CB -0.361 18.628 19.000 -0.019 0.000 0.799 315 A HN 0.111 nan 8.150 nan 0.000 0.458 316 F N -1.142 118.803 119.950 -0.008 0.000 2.708 316 F HA 0.431 4.958 4.527 -0.000 0.000 0.300 316 F C 1.612 177.399 175.800 -0.021 0.000 1.118 316 F CA 0.280 58.271 58.000 -0.014 0.000 1.307 316 F CB 0.501 39.496 39.000 -0.008 0.000 0.986 316 F HN 0.292 nan 8.300 nan 0.000 0.522 317 G N -0.365 108.492 108.800 0.096 0.000 2.213 317 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.236 317 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.236 317 G C 1.350 176.278 174.900 0.046 0.000 0.991 317 G CA -0.033 45.090 45.100 0.039 0.000 0.629 317 G HN 1.095 nan 8.290 nan 0.000 0.517 318 G N -0.448 108.407 108.800 0.091 0.000 2.175 318 G HA2 0.133 4.093 3.960 -0.000 0.000 0.265 318 G HA3 0.133 4.093 3.960 -0.000 0.000 0.265 318 G C 1.591 176.568 174.900 0.128 0.000 0.979 318 G CA 1.202 46.363 45.100 0.101 0.000 0.663 318 G HN 2.141 nan 8.290 nan 0.000 0.533 319 G N -0.487 108.352 108.800 0.065 0.000 2.683 319 G HA2 0.676 4.636 3.960 -0.000 0.000 0.260 319 G HA3 0.676 4.636 3.960 -0.000 0.000 0.260 319 G C 0.369 175.398 174.900 0.214 0.000 1.238 319 G CA 1.097 46.220 45.100 0.038 0.000 0.934 319 G HN 1.862 nan 8.290 nan 0.000 0.534 320 S N -1.838 114.063 115.700 0.335 0.000 2.596 320 S HA 0.601 5.071 4.470 -0.000 0.000 0.270 320 S C -1.579 173.128 174.600 0.179 0.000 1.155 320 S CA -0.831 57.506 58.200 0.228 0.000 0.827 320 S CB 1.937 65.246 63.200 0.182 0.000 1.130 320 S HN 1.092 nan 8.310 nan 0.000 0.467 321 L N 1.753 123.037 121.223 0.102 0.000 2.415 321 L HA 0.657 4.997 4.340 -0.000 0.000 0.268 321 L C -0.630 176.258 176.870 0.030 0.000 0.984 321 L CA 0.230 55.118 54.840 0.080 0.000 0.853 321 L CB 1.438 43.545 42.059 0.080 0.000 1.215 321 L HN 0.945 nan 8.230 nan 0.000 0.419 322 T N 3.673 118.230 114.554 0.005 0.000 2.909 322 T HA 0.848 5.198 4.350 -0.000 0.000 0.286 322 T C -0.275 174.392 174.700 -0.055 0.000 1.002 322 T CA -0.223 61.860 62.100 -0.028 0.000 1.074 322 T CB 1.471 70.312 68.868 -0.044 0.000 0.984 322 T HN 0.783 nan 8.240 nan 0.000 0.495 323 A N 2.833 125.617 122.820 -0.060 0.000 2.374 323 A HA 0.727 5.047 4.320 -0.000 0.000 0.305 323 A C -0.831 176.699 177.584 -0.090 0.000 1.053 323 A CA -0.750 51.224 52.037 -0.104 0.000 0.726 323 A CB 0.814 19.802 19.000 -0.019 0.000 1.229 323 A HN 0.829 nan 8.150 nan 0.000 0.431 324 L N 4.091 125.233 121.223 -0.136 0.000 2.387 324 L HA 0.350 4.690 4.340 -0.000 0.000 0.259 324 L C -2.474 174.345 176.870 -0.085 0.000 1.050 324 L CA -1.857 52.927 54.840 -0.093 0.000 0.922 324 L CB 1.513 43.526 42.059 -0.077 0.000 1.280 324 L HN 0.434 nan 8.230 nan 0.000 0.449 325 P HA 0.158 nan 4.420 nan 0.000 0.275 325 P C -0.415 176.843 177.300 -0.071 0.000 1.228 325 P CA -0.161 62.936 63.100 -0.004 0.000 0.786 325 P CB 1.623 33.293 31.700 -0.050 0.000 0.927 326 V N 4.246 124.117 119.914 -0.071 0.000 2.581 326 V HA 0.454 4.574 4.120 -0.000 0.000 0.303 326 V C 0.263 176.302 176.094 -0.091 0.000 1.041 326 V CA -0.549 61.706 62.300 -0.075 0.000 0.907 326 V CB 1.667 33.463 31.823 -0.045 0.000 0.994 326 V HN 0.406 nan 8.190 nan 0.000 0.442 327 I N 3.298 123.817 120.570 -0.086 0.000 2.533 327 I HA 0.418 4.587 4.170 -0.000 0.000 0.290 327 I C -0.238 175.857 176.117 -0.035 0.000 1.056 327 I CA -0.337 60.919 61.300 -0.073 0.000 1.057 327 I CB 2.127 40.072 38.000 -0.093 0.000 1.240 327 I HN 0.760 nan 8.210 nan 0.000 0.423 328 E N 5.413 125.607 120.200 -0.011 0.000 2.134 328 E HA 0.435 4.785 4.350 -0.000 0.000 0.278 328 E C -0.750 175.866 176.600 0.027 0.000 0.959 328 E CA -0.349 56.057 56.400 0.009 0.000 0.783 328 E CB 1.342 31.052 29.700 0.016 0.000 1.095 328 E HN 0.676 nan 8.360 nan 0.000 0.399 329 T N 2.057 116.633 114.554 0.037 0.000 2.934 329 T HA 0.305 4.655 4.350 -0.000 0.000 0.283 329 T C -0.020 174.712 174.700 0.053 0.000 1.005 329 T CA -1.052 61.080 62.100 0.054 0.000 1.041 329 T CB 1.471 70.382 68.868 0.072 0.000 1.042 329 T HN 0.350 nan 8.240 nan 0.000 0.505 330 Q N 0.803 120.638 119.800 0.060 0.000 2.331 330 Q HA 0.507 4.847 4.340 -0.000 0.000 0.257 330 Q C 0.496 176.528 176.000 0.052 0.000 0.957 330 Q CA -0.168 55.668 55.803 0.055 0.000 0.923 330 Q CB 0.949 29.723 28.738 0.061 0.000 1.212 330 Q HN 1.174 nan 8.270 nan 0.000 0.443 331 A N 2.562 125.409 122.820 0.046 0.000 2.511 331 A HA -0.139 4.181 4.320 -0.000 0.000 0.297 331 A C 1.175 178.786 177.584 0.046 0.000 1.476 331 A CA 1.280 53.342 52.037 0.043 0.000 0.757 331 A CB -2.094 16.929 19.000 0.039 0.000 1.072 331 A HN 1.486 nan 8.150 nan 0.000 0.413 332 G N -0.981 107.851 108.800 0.053 0.000 2.155 332 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 332 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 332 G C 0.007 174.943 174.900 0.059 0.000 0.983 332 G CA 0.932 46.066 45.100 0.056 0.000 0.676 332 G HN 1.484 nan 8.290 nan 0.000 0.528 333 D N 0.728 121.166 120.400 0.063 0.000 2.470 333 D HA 0.377 5.017 4.640 -0.000 0.000 0.226 333 D C 1.898 178.248 176.300 0.083 0.000 1.196 333 D CA 0.367 54.407 54.000 0.067 0.000 0.979 333 D CB 0.456 41.296 40.800 0.067 0.000 1.059 333 D HN 0.579 nan 8.370 nan 0.000 0.515 334 V N 0.816 120.785 119.914 0.091 0.000 3.217 334 V HA 0.019 4.139 4.120 -0.000 0.000 0.264 334 V C 1.430 177.586 176.094 0.104 0.000 1.135 334 V CA 0.717 63.091 62.300 0.123 0.000 1.142 334 V CB -0.063 31.869 31.823 0.182 0.000 0.754 334 V HN 0.255 nan 8.190 nan 0.000 0.484 335 S N 0.721 116.473 115.700 0.086 0.000 2.605 335 S HA 0.604 5.074 4.470 -0.000 0.000 0.217 335 S C 1.202 175.866 174.600 0.107 0.000 0.958 335 S CA 0.309 58.562 58.200 0.088 0.000 0.919 335 S CB -0.071 63.171 63.200 0.069 0.000 0.780 335 S HN 0.894 nan 8.310 nan 0.000 0.507 336 A N 0.614 123.500 122.820 0.109 0.000 2.325 336 A HA 0.358 4.678 4.320 -0.000 0.000 0.260 336 A C 0.915 178.608 177.584 0.181 0.000 1.133 336 A CA -0.012 52.108 52.037 0.140 0.000 0.801 336 A CB -0.210 18.866 19.000 0.126 0.000 1.092 336 A HN 0.339 nan 8.150 nan 0.000 0.504 337 Y N -0.248 120.083 120.300 0.051 0.000 2.109 337 Y HA -0.131 4.419 4.550 -0.000 0.000 0.285 337 Y C 1.902 177.783 175.900 -0.032 0.000 1.131 337 Y CA 2.063 60.175 58.100 0.018 0.000 1.121 337 Y CB -0.332 38.151 38.460 0.039 0.000 0.987 337 Y HN 0.420 nan 8.280 nan 0.000 0.495 338 I N 0.836 121.265 120.570 -0.234 0.000 2.179 338 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 338 I C -0.615 175.419 176.117 -0.138 0.000 1.088 338 I CA 0.989 62.110 61.300 -0.298 0.000 1.357 338 I CB -2.527 35.323 38.000 -0.250 0.000 1.051 338 I HN 0.161 nan 8.210 nan 0.000 0.409 339 P HA -0.141 nan 4.420 nan 0.000 0.214 339 P C 1.865 179.167 177.300 0.004 0.000 1.163 339 P CA 1.881 64.972 63.100 -0.016 0.000 0.889 339 P CB -0.285 31.437 31.700 0.037 0.000 0.790 340 T N -0.359 114.213 114.554 0.030 0.000 2.665 340 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 340 T C 1.611 176.353 174.700 0.070 0.000 1.035 340 T CA 1.813 63.954 62.100 0.068 0.000 1.151 340 T CB -0.985 67.950 68.868 0.111 0.000 0.862 340 T HN 0.125 nan 8.240 nan 0.000 0.438 341 N N 0.773 119.486 118.700 0.022 0.000 2.084 341 N HA -0.064 4.676 4.740 -0.000 0.000 0.190 341 N C 1.892 177.404 175.510 0.003 0.000 1.030 341 N CA 0.879 53.988 53.050 0.098 0.000 0.849 341 N CB -0.746 37.729 38.487 -0.020 0.000 1.012 341 N HN 0.258 nan 8.380 nan 0.000 0.423 342 V N 1.212 121.084 119.914 -0.070 0.000 2.719 342 V HA 0.004 4.123 4.120 -0.000 0.000 0.252 342 V C 2.143 178.189 176.094 -0.079 0.000 1.065 342 V CA 0.690 62.913 62.300 -0.129 0.000 1.086 342 V CB -0.327 31.371 31.823 -0.208 0.000 0.700 342 V HN 0.225 nan 8.190 nan 0.000 0.467 343 I N 1.381 121.935 120.570 -0.028 0.000 2.394 343 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 343 I C 2.567 178.707 176.117 0.038 0.000 1.136 343 I CA 1.780 63.083 61.300 0.004 0.000 1.425 343 I CB -0.282 37.752 38.000 0.057 0.000 1.079 343 I HN 0.494 nan 8.210 nan 0.000 0.425 344 S N 0.721 116.468 115.700 0.078 0.000 2.425 344 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 344 S C 1.905 176.564 174.600 0.099 0.000 1.024 344 S CA 0.394 58.665 58.200 0.118 0.000 0.951 344 S CB -0.571 62.746 63.200 0.194 0.000 0.796 344 S HN 0.366 nan 8.310 nan 0.000 0.498 345 I N 2.790 123.386 120.570 0.043 0.000 2.394 345 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 345 I C 1.582 177.684 176.117 -0.025 0.000 1.136 345 I CA 0.925 62.212 61.300 -0.021 0.000 1.425 345 I CB -0.780 37.118 38.000 -0.170 0.000 1.079 345 I HN 0.445 nan 8.210 nan 0.000 0.425 346 T N -2.609 111.924 114.554 -0.035 0.000 2.847 346 T HA 0.132 4.482 4.350 -0.000 0.000 0.279 346 T C 0.620 175.309 174.700 -0.018 0.000 0.984 346 T CA -0.673 61.404 62.100 -0.038 0.000 0.988 346 T CB 1.104 69.933 68.868 -0.066 0.000 1.040 346 T HN 0.028 nan 8.240 nan 0.000 0.528 347 D N 0.250 120.637 120.400 -0.022 0.000 2.349 347 D HA 0.305 4.945 4.640 -0.000 0.000 0.224 347 D C 1.000 177.293 176.300 -0.011 0.000 1.029 347 D CA 0.591 54.584 54.000 -0.012 0.000 0.879 347 D CB -0.005 40.786 40.800 -0.015 0.000 0.906 347 D HN 0.927 nan 8.370 nan 0.000 0.528 348 G N 0.012 108.797 108.800 -0.025 0.000 2.339 348 G HA2 0.256 4.216 3.960 -0.000 0.000 0.302 348 G HA3 0.256 4.216 3.960 -0.000 0.000 0.302 348 G C -1.854 172.995 174.900 -0.086 0.000 1.425 348 G CA -0.904 44.183 45.100 -0.023 0.000 0.899 348 G HN -0.045 nan 8.290 nan 0.000 0.619 349 Q N -1.016 118.713 119.800 -0.119 0.000 2.413 349 Q HA 0.761 5.100 4.340 -0.000 0.000 0.276 349 Q C -0.557 175.261 176.000 -0.302 0.000 1.099 349 Q CA -0.552 55.046 55.803 -0.341 0.000 0.814 349 Q CB 2.760 31.036 28.738 -0.771 0.000 1.379 349 Q HN 0.574 nan 8.270 nan 0.000 0.436 350 I N 2.179 122.558 120.570 -0.319 0.000 2.359 350 I HA 0.338 4.508 4.170 -0.000 0.000 0.284 350 I C -0.990 175.002 176.117 -0.208 0.000 1.018 350 I CA -0.384 60.823 61.300 -0.155 0.000 1.173 350 I CB 0.457 38.409 38.000 -0.080 0.000 1.326 350 I HN 0.437 nan 8.210 nan 0.000 0.462 351 F N 6.621 126.574 119.950 0.005 0.000 2.424 351 F HA 0.390 4.917 4.527 -0.000 0.000 0.356 351 F C 0.236 176.044 175.800 0.013 0.000 1.110 351 F CA -0.241 57.763 58.000 0.007 0.000 1.161 351 F CB 0.600 39.605 39.000 0.009 0.000 1.115 351 F HN 0.179 nan 8.300 nan 0.000 0.507 352 L N 3.899 125.218 121.223 0.160 0.000 2.322 352 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 352 L C -0.419 176.518 176.870 0.112 0.000 1.036 352 L CA -0.657 54.251 54.840 0.113 0.000 0.807 352 L CB 1.698 43.795 42.059 0.063 0.000 1.226 352 L HN 0.585 nan 8.230 nan 0.000 0.433 353 E N 0.500 120.760 120.200 0.101 0.000 2.272 353 E HA 0.250 4.600 4.350 -0.000 0.000 0.269 353 E C -0.023 176.628 176.600 0.085 0.000 0.877 353 E CA -0.478 55.974 56.400 0.087 0.000 0.755 353 E CB 2.345 32.095 29.700 0.083 0.000 1.192 353 E HN 0.575 nan 8.360 nan 0.000 0.422 354 T N 0.917 115.510 114.554 0.065 0.000 2.708 354 T HA -0.217 4.132 4.350 -0.000 0.000 0.266 354 T C 1.540 176.342 174.700 0.170 0.000 1.037 354 T CA 1.293 63.434 62.100 0.067 0.000 1.146 354 T CB -0.021 68.918 68.868 0.118 0.000 0.865 354 T HN 0.526 nan 8.240 nan 0.000 0.435 355 E N 0.914 121.212 120.200 0.163 0.000 2.058 355 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 355 E C 2.203 178.895 176.600 0.154 0.000 0.997 355 E CA 1.002 57.505 56.400 0.173 0.000 0.801 355 E CB -0.227 29.542 29.700 0.115 0.000 0.746 355 E HN 0.478 nan 8.360 nan 0.000 0.450 356 L N -0.013 121.280 121.223 0.116 0.000 2.083 356 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 356 L C 2.505 179.420 176.870 0.075 0.000 1.083 356 L CA 0.907 55.800 54.840 0.089 0.000 0.752 356 L CB -0.599 41.502 42.059 0.070 0.000 0.899 356 L HN 0.187 nan 8.230 nan 0.000 0.433 357 F N 0.578 120.470 119.950 -0.096 0.000 2.043 357 F HA -0.316 4.210 4.527 -0.000 0.000 0.297 357 F C 2.376 178.026 175.800 -0.249 0.000 1.121 357 F CA 1.804 59.663 58.000 -0.234 0.000 1.199 357 F CB -0.431 38.316 39.000 -0.423 0.000 0.968 357 F HN -0.064 nan 8.300 nan 0.000 0.478 358 Y N 0.183 120.672 120.300 0.314 0.000 2.509 358 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 358 Y C 2.227 178.170 175.900 0.072 0.000 1.133 358 Y CA 0.960 59.175 58.100 0.191 0.000 1.283 358 Y CB -0.764 37.810 38.460 0.190 0.000 1.001 358 Y HN 0.064 nan 8.280 nan 0.000 0.555 359 K N -0.933 119.566 120.400 0.165 0.000 2.365 359 K HA 0.049 4.369 4.320 -0.000 0.000 0.199 359 K C 1.501 178.126 176.600 0.040 0.000 1.045 359 K CA 0.923 57.271 56.287 0.101 0.000 0.962 359 K CB -0.118 32.434 32.500 0.085 0.000 0.759 359 K HN 0.453 nan 8.250 nan 0.000 0.469 360 G N 0.300 109.085 108.800 -0.026 0.000 2.296 360 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.188 360 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.188 360 G C -0.044 174.790 174.900 -0.110 0.000 1.000 360 G CA -0.520 44.537 45.100 -0.072 0.000 0.672 360 G HN 0.058 nan 8.290 nan 0.000 0.483 361 I N 2.116 122.632 120.570 -0.089 0.000 2.406 361 I HA 0.460 4.630 4.170 -0.000 0.000 0.293 361 I C 0.588 176.619 176.117 -0.143 0.000 1.101 361 I CA 0.323 61.578 61.300 -0.074 0.000 1.334 361 I CB -0.073 37.920 38.000 -0.012 0.000 1.421 361 I HN 0.149 nan 8.210 nan 0.000 0.513 362 R N 7.294 127.701 120.500 -0.155 0.000 2.522 362 R HA 0.385 4.725 4.340 -0.000 0.000 0.283 362 R C -2.644 173.598 176.300 -0.097 0.000 1.074 362 R CA -1.576 54.413 56.100 -0.184 0.000 0.925 362 R CB 2.832 32.908 30.300 -0.373 0.000 1.205 362 R HN 0.317 nan 8.270 nan 0.000 0.436 363 P HA -0.035 nan 4.420 nan 0.000 0.266 363 P C -0.191 177.112 177.300 0.005 0.000 1.195 363 P CA 0.014 63.102 63.100 -0.019 0.000 0.768 363 P CB 0.797 32.495 31.700 -0.004 0.000 0.838 364 A N 4.282 127.138 122.820 0.061 0.000 2.604 364 A HA 0.141 4.461 4.320 -0.000 0.000 0.248 364 A C 0.915 178.547 177.584 0.080 0.000 1.466 364 A CA -0.287 51.801 52.037 0.085 0.000 1.222 364 A CB -1.423 17.695 19.000 0.195 0.000 0.945 364 A HN 0.488 nan 8.150 nan 0.000 0.600 365 I N 0.924 121.530 120.570 0.060 0.000 2.529 365 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 365 I C 0.478 176.643 176.117 0.081 0.000 1.082 365 I CA -0.320 61.023 61.300 0.072 0.000 1.406 365 I CB 0.615 38.646 38.000 0.052 0.000 1.405 365 I HN 0.323 nan 8.210 nan 0.000 0.548 366 N N 5.997 124.765 118.700 0.113 0.000 2.439 366 N HA 0.123 4.862 4.740 -0.000 0.000 0.249 366 N C 0.445 176.009 175.510 0.090 0.000 1.003 366 N CA -0.149 52.956 53.050 0.092 0.000 0.942 366 N CB 1.680 40.217 38.487 0.084 0.000 1.115 366 N HN 0.389 nan 8.380 nan 0.000 0.505 367 V N 3.544 123.496 119.914 0.063 0.000 2.548 367 V HA -0.047 4.073 4.120 -0.000 0.000 0.249 367 V C 2.226 178.348 176.094 0.046 0.000 1.055 367 V CA 2.047 64.381 62.300 0.058 0.000 1.065 367 V CB -0.718 31.136 31.823 0.051 0.000 0.681 367 V HN 0.773 nan 8.190 nan 0.000 0.462 368 G N -0.030 108.784 108.800 0.023 0.000 2.404 368 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.215 368 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.215 368 G C 1.498 176.391 174.900 -0.011 0.000 1.174 368 G CA 0.755 45.853 45.100 -0.003 0.000 0.780 368 G HN 0.486 nan 8.290 nan 0.000 0.537 369 L N 1.004 122.208 121.223 -0.032 0.000 2.375 369 L HA 0.163 4.503 4.340 -0.000 0.000 0.215 369 L C 1.021 178.003 176.870 0.187 0.000 1.108 369 L CA -0.165 54.619 54.840 -0.093 0.000 0.830 369 L CB -0.106 41.660 42.059 -0.488 0.000 0.959 369 L HN 0.032 nan 8.230 nan 0.000 0.457 370 S N 0.414 116.277 115.700 0.271 0.000 2.592 370 S HA 0.460 4.929 4.470 -0.000 0.000 0.271 370 S C -0.097 174.609 174.600 0.178 0.000 1.326 370 S CA -0.590 57.804 58.200 0.323 0.000 1.024 370 S CB 1.832 65.151 63.200 0.198 0.000 0.921 370 S HN 0.124 nan 8.310 nan 0.000 0.527 371 V N -1.121 118.874 119.914 0.135 0.000 3.147 371 V HA 0.900 5.020 4.120 -0.000 0.000 0.306 371 V C -0.677 175.440 176.094 0.039 0.000 1.209 371 V CA -0.716 61.633 62.300 0.082 0.000 1.023 371 V CB 1.950 33.829 31.823 0.093 0.000 1.059 371 V HN 0.715 nan 8.190 nan 0.000 0.435 372 S N 1.036 116.752 115.700 0.027 0.000 2.789 372 S HA 0.496 4.966 4.470 -0.000 0.000 0.286 372 S C 0.608 175.214 174.600 0.010 0.000 1.153 372 S CA -0.655 57.550 58.200 0.009 0.000 1.084 372 S CB 1.390 64.590 63.200 0.001 0.000 1.036 372 S HN 0.849 nan 8.310 nan 0.000 0.484 373 R N 2.473 122.979 120.500 0.009 0.000 2.152 373 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 373 R C 1.659 177.961 176.300 0.003 0.000 1.117 373 R CA 1.461 57.566 56.100 0.010 0.000 0.981 373 R CB -0.241 30.066 30.300 0.011 0.000 0.870 373 R HN 0.572 nan 8.270 nan 0.000 0.451 374 V N 0.061 119.973 119.914 -0.003 0.000 2.379 374 V HA -0.067 4.053 4.120 -0.000 0.000 0.245 374 V C 1.828 177.918 176.094 -0.007 0.000 1.044 374 V CA 1.386 63.681 62.300 -0.009 0.000 1.036 374 V CB -1.089 30.724 31.823 -0.017 0.000 0.664 374 V HN 0.665 nan 8.190 nan 0.000 0.453 375 G N 0.661 109.458 108.800 -0.005 0.000 2.652 375 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.318 375 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.318 375 G C 1.182 176.078 174.900 -0.007 0.000 1.295 375 G CA 0.963 46.062 45.100 -0.002 0.000 0.999 375 G HN 0.426 nan 8.290 nan 0.000 0.548 376 S N 0.652 116.350 115.700 -0.004 0.000 2.392 376 S HA -0.103 4.367 4.470 -0.000 0.000 0.232 376 S C 2.846 177.439 174.600 -0.011 0.000 1.041 376 S CA 2.438 60.635 58.200 -0.006 0.000 1.026 376 S CB -0.821 62.378 63.200 -0.002 0.000 0.845 376 S HN 1.683 nan 8.310 nan 0.000 0.465 377 A N 1.127 123.940 122.820 -0.012 0.000 1.971 377 A HA -0.057 4.263 4.320 -0.000 0.000 0.222 377 A C 1.817 179.386 177.584 -0.025 0.000 1.182 377 A CA 1.804 53.831 52.037 -0.016 0.000 0.649 377 A CB -0.660 18.331 19.000 -0.016 0.000 0.818 377 A HN 0.615 nan 8.150 nan 0.000 0.458 378 A N -1.353 121.450 122.820 -0.028 0.000 2.842 378 A HA 0.516 4.836 4.320 -0.000 0.000 0.298 378 A C 0.242 177.803 177.584 -0.038 0.000 1.293 378 A CA 0.005 52.017 52.037 -0.042 0.000 0.959 378 A CB -0.192 18.778 19.000 -0.050 0.000 1.119 378 A HN 0.558 nan 8.150 nan 0.000 0.564 379 Q N 0.689 120.473 119.800 -0.027 0.000 2.347 379 Q HA 0.470 4.810 4.340 -0.000 0.000 0.271 379 Q C -0.048 175.942 176.000 -0.016 0.000 1.064 379 Q CA -0.521 55.271 55.803 -0.019 0.000 0.800 379 Q CB 1.702 30.434 28.738 -0.009 0.000 1.304 379 Q HN 0.462 nan 8.270 nan 0.000 0.438 380 T N 0.004 114.550 114.554 -0.014 0.000 2.856 380 T HA 0.131 4.481 4.350 -0.000 0.000 0.306 380 T C 0.956 175.656 174.700 -0.001 0.000 1.062 380 T CA -0.284 61.811 62.100 -0.010 0.000 1.083 380 T CB 1.150 70.014 68.868 -0.007 0.000 0.984 380 T HN 0.860 nan 8.240 nan 0.000 0.542 381 R N 1.047 121.547 120.500 -0.000 0.000 2.081 381 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 381 R C 2.564 178.871 176.300 0.012 0.000 1.131 381 R CA 1.492 57.595 56.100 0.005 0.000 0.960 381 R CB -1.049 29.253 30.300 0.004 0.000 0.856 381 R HN 0.856 nan 8.270 nan 0.000 0.436 382 A N 0.948 123.776 122.820 0.013 0.000 1.883 382 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 382 A C 2.102 179.703 177.584 0.030 0.000 1.186 382 A CA 1.780 53.830 52.037 0.021 0.000 0.624 382 A CB -0.558 18.451 19.000 0.015 0.000 0.822 382 A HN 0.457 nan 8.150 nan 0.000 0.444 383 M N -0.098 119.516 119.600 0.023 0.000 2.132 383 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 383 M C 1.802 178.115 176.300 0.023 0.000 1.065 383 M CA 1.668 56.984 55.300 0.026 0.000 1.122 383 M CB -0.542 32.069 32.600 0.019 0.000 1.365 383 M HN 0.375 nan 8.290 nan 0.000 0.411 384 K N -0.376 120.034 120.400 0.016 0.000 2.001 384 K HA -0.282 4.038 4.320 -0.000 0.000 0.214 384 K C 2.128 178.739 176.600 0.018 0.000 1.050 384 K CA 2.232 58.527 56.287 0.013 0.000 0.934 384 K CB -0.495 32.010 32.500 0.009 0.000 0.718 384 K HN 0.560 nan 8.250 nan 0.000 0.443 385 Q N 0.660 120.474 119.800 0.023 0.000 2.012 385 Q HA -0.226 4.114 4.340 -0.000 0.000 0.211 385 Q C 2.151 178.170 176.000 0.031 0.000 1.009 385 Q CA 2.948 58.768 55.803 0.029 0.000 0.866 385 Q CB -0.183 28.579 28.738 0.040 0.000 0.945 385 Q HN 0.340 nan 8.270 nan 0.000 0.414 386 V N -2.124 117.817 119.914 0.045 0.000 2.453 386 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 386 V C 2.156 178.265 176.094 0.024 0.000 1.048 386 V CA 1.692 64.019 62.300 0.045 0.000 1.049 386 V CB -1.412 30.461 31.823 0.083 0.000 0.672 386 V HN 0.435 nan 8.190 nan 0.000 0.457 387 A N 1.497 124.331 122.820 0.024 0.000 1.933 387 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 387 A C 2.400 179.990 177.584 0.010 0.000 1.175 387 A CA 1.926 53.973 52.037 0.016 0.000 0.628 387 A CB -1.513 17.497 19.000 0.017 0.000 0.814 387 A HN 0.715 nan 8.150 nan 0.000 0.444 388 G N -0.872 107.933 108.800 0.009 0.000 2.442 388 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 388 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 388 G C 1.538 176.437 174.900 -0.001 0.000 1.141 388 G CA 1.710 46.813 45.100 0.005 0.000 0.763 388 G HN 0.477 nan 8.290 nan 0.000 0.554 389 T N 0.810 115.360 114.554 -0.006 0.000 2.857 389 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 389 T C 2.281 176.968 174.700 -0.022 0.000 1.048 389 T CA 1.280 63.369 62.100 -0.019 0.000 1.139 389 T CB -0.172 68.677 68.868 -0.033 0.000 0.874 389 T HN 0.361 nan 8.240 nan 0.000 0.455 390 M N 1.366 120.956 119.600 -0.017 0.000 2.175 390 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 390 M C 2.286 178.585 176.300 -0.002 0.000 1.063 390 M CA 1.650 56.941 55.300 -0.016 0.000 1.119 390 M CB -0.153 32.440 32.600 -0.010 0.000 1.377 390 M HN 0.064 nan 8.290 nan 0.000 0.415 391 K N 0.288 120.691 120.400 0.004 0.000 2.097 391 K HA -0.183 4.136 4.320 -0.000 0.000 0.205 391 K C 1.931 178.538 176.600 0.011 0.000 1.050 391 K CA 1.519 57.813 56.287 0.011 0.000 0.938 391 K CB -0.313 32.195 32.500 0.012 0.000 0.718 391 K HN 0.465 nan 8.250 nan 0.000 0.442 392 L N 1.333 122.558 121.223 0.004 0.000 2.072 392 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 392 L C 1.778 178.652 176.870 0.007 0.000 1.079 392 L CA 1.646 56.488 54.840 0.003 0.000 0.752 392 L CB -0.348 41.709 42.059 -0.003 0.000 0.906 392 L HN 0.182 nan 8.230 nan 0.000 0.436 393 E N -0.137 120.062 120.200 -0.000 0.000 2.031 393 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 393 E C 2.281 178.906 176.600 0.042 0.000 0.994 393 E CA 1.828 58.229 56.400 0.002 0.000 0.800 393 E CB -0.344 29.337 29.700 -0.031 0.000 0.752 393 E HN 0.508 nan 8.360 nan 0.000 0.447 394 L N 0.425 121.676 121.223 0.047 0.000 2.079 394 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 394 L C 2.517 179.456 176.870 0.115 0.000 1.081 394 L CA 1.023 55.932 54.840 0.115 0.000 0.752 394 L CB -0.445 41.664 42.059 0.082 0.000 0.896 394 L HN 0.197 nan 8.230 nan 0.000 0.433 395 A N -0.554 122.298 122.820 0.052 0.000 1.902 395 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 395 A C 2.190 179.780 177.584 0.009 0.000 1.181 395 A CA 1.460 53.508 52.037 0.020 0.000 0.623 395 A CB -0.394 18.610 19.000 0.007 0.000 0.818 395 A HN 0.505 nan 8.150 nan 0.000 0.443 396 Q N -1.931 117.886 119.800 0.028 0.000 2.079 396 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 396 Q C 2.048 178.065 176.000 0.030 0.000 0.974 396 Q CA 1.676 57.491 55.803 0.019 0.000 0.840 396 Q CB -0.414 28.342 28.738 0.029 0.000 0.898 396 Q HN 0.836 nan 8.270 nan 0.000 0.430 397 Y N 1.836 122.101 120.300 -0.058 0.000 2.145 397 Y HA -0.207 4.342 4.550 -0.000 0.000 0.286 397 Y C 2.147 177.993 175.900 -0.091 0.000 1.145 397 Y CA 1.547 59.606 58.100 -0.067 0.000 1.148 397 Y CB -0.194 38.236 38.460 -0.050 0.000 0.981 397 Y HN -0.114 nan 8.280 nan 0.000 0.507 398 R N 0.367 120.712 120.500 -0.259 0.000 2.103 398 R HA -0.220 4.120 4.340 -0.000 0.000 0.242 398 R C 2.144 178.242 176.300 -0.338 0.000 1.142 398 R CA 2.183 58.072 56.100 -0.353 0.000 0.960 398 R CB -0.308 29.891 30.300 -0.169 0.000 0.858 398 R HN 0.574 nan 8.270 nan 0.000 0.439 399 E N -0.506 119.544 120.200 -0.251 0.000 2.153 399 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 399 E C 1.702 178.011 176.600 -0.484 0.000 0.988 399 E CA 1.173 57.411 56.400 -0.270 0.000 0.811 399 E CB 0.104 29.707 29.700 -0.162 0.000 0.746 399 E HN 0.134 nan 8.360 nan 0.000 0.466 400 V N 0.651 120.270 119.914 -0.493 0.000 3.307 400 V HA 0.067 4.187 4.120 -0.000 0.000 0.253 400 V C 2.074 177.797 176.094 -0.619 0.000 1.149 400 V CA 0.844 62.704 62.300 -0.733 0.000 1.112 400 V CB 0.162 31.816 31.823 -0.281 0.000 0.777 400 V HN 0.271 nan 8.190 nan 0.000 0.464 401 A N 0.687 123.189 122.820 -0.531 0.000 2.067 401 A HA -0.304 4.016 4.320 -0.000 0.000 0.224 401 A C 2.324 179.760 177.584 -0.247 0.000 1.172 401 A CA 2.481 54.235 52.037 -0.471 0.000 0.662 401 A CB -0.522 18.029 19.000 -0.748 0.000 0.814 401 A HN 0.618 nan 8.150 nan 0.000 0.468 402 A N -1.048 121.603 122.820 -0.281 0.000 1.898 402 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 402 A C 1.686 179.357 177.584 0.144 0.000 1.183 402 A CA 1.225 53.219 52.037 -0.070 0.000 0.622 402 A CB -0.631 18.324 19.000 -0.075 0.000 0.824 402 A HN 0.469 nan 8.150 nan 0.000 0.444 403 F N 0.830 120.797 119.950 0.029 0.000 2.449 403 F HA -0.049 4.477 4.527 -0.000 0.000 0.299 403 F C 2.509 178.381 175.800 0.121 0.000 1.092 403 F CA -0.167 57.876 58.000 0.072 0.000 1.446 403 F CB -1.550 37.474 39.000 0.041 0.000 1.084 403 F HN 0.284 nan 8.300 nan 0.000 0.567 404 A N 0.570 123.542 122.820 0.252 0.000 1.852 404 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 404 A C 2.090 179.772 177.584 0.164 0.000 1.215 404 A CA 1.904 54.051 52.037 0.183 0.000 0.641 404 A CB -1.037 18.042 19.000 0.132 0.000 0.838 404 A HN 0.443 nan 8.150 nan 0.000 0.450 405 Q N -2.106 117.797 119.800 0.172 0.000 2.515 405 Q HA 0.068 4.408 4.340 -0.000 0.000 0.212 405 Q C 0.258 176.099 176.000 -0.266 0.000 0.970 405 Q CA 0.629 56.413 55.803 -0.031 0.000 0.941 405 Q CB -0.033 28.660 28.738 -0.076 0.000 0.998 405 Q HN 0.766 nan 8.270 nan 0.000 0.518 406 F N -2.111 117.877 119.950 0.063 0.000 2.871 406 F HA 0.259 4.786 4.527 -0.000 0.000 0.344 406 F C 1.226 177.045 175.800 0.032 0.000 1.078 406 F CA -0.522 57.505 58.000 0.043 0.000 1.149 406 F CB 0.745 39.770 39.000 0.042 0.000 1.087 406 F HN -0.136 nan 8.300 nan 0.000 0.557 407 G N 0.501 109.427 108.800 0.209 0.000 2.985 407 G HA2 0.186 4.146 3.960 -0.000 0.000 0.282 407 G HA3 0.186 4.146 3.960 -0.000 0.000 0.282 407 G C 0.324 175.267 174.900 0.072 0.000 0.791 407 G CA 0.000 45.173 45.100 0.121 0.000 1.934 407 G HN 0.085 nan 8.290 nan 0.000 0.563 408 S N 0.871 116.601 115.700 0.050 0.000 3.122 408 S HA 0.183 4.653 4.470 -0.000 0.000 0.249 408 S C 0.472 175.082 174.600 0.017 0.000 1.334 408 S CA -0.068 58.146 58.200 0.024 0.000 1.251 408 S CB -0.158 63.050 63.200 0.013 0.000 1.034 408 S HN 0.788 nan 8.310 nan 0.000 0.478 409 D N 0.189 120.602 120.400 0.020 0.000 4.507 409 D HA 0.003 4.643 4.640 -0.000 0.000 0.140 409 D C -0.550 175.759 176.300 0.015 0.000 0.848 409 D CA -0.210 53.797 54.000 0.012 0.000 0.709 409 D CB -0.498 40.304 40.800 0.003 0.000 1.586 409 D HN 0.239 nan 8.370 nan 0.000 0.575 410 L N 2.000 123.243 121.223 0.032 0.000 2.456 410 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 410 L C 0.946 177.839 176.870 0.037 0.000 1.189 410 L CA -0.045 54.822 54.840 0.046 0.000 0.846 410 L CB 0.430 42.541 42.059 0.086 0.000 1.111 410 L HN 0.305 nan 8.230 nan 0.000 0.475 411 D N 2.470 122.891 120.400 0.035 0.000 2.357 411 D HA 0.033 4.673 4.640 -0.000 0.000 0.242 411 D C 0.821 177.140 176.300 0.031 0.000 1.153 411 D CA -0.094 53.922 54.000 0.027 0.000 0.918 411 D CB 1.458 42.272 40.800 0.023 0.000 1.181 411 D HN 0.594 nan 8.370 nan 0.000 0.435 412 A N 1.778 124.610 122.820 0.020 0.000 1.986 412 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 412 A C 2.182 179.777 177.584 0.018 0.000 1.171 412 A CA 2.322 54.368 52.037 0.016 0.000 0.640 412 A CB -0.834 18.170 19.000 0.007 0.000 0.811 412 A HN 0.743 nan 8.150 nan 0.000 0.451 413 A N -0.436 122.397 122.820 0.022 0.000 1.855 413 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 413 A C 2.481 180.087 177.584 0.038 0.000 1.191 413 A CA 2.461 54.511 52.037 0.023 0.000 0.613 413 A CB -1.395 17.619 19.000 0.023 0.000 0.829 413 A HN 0.849 nan 8.150 nan 0.000 0.442 414 T N -2.385 112.205 114.554 0.059 0.000 2.962 414 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 414 T C 1.852 176.602 174.700 0.084 0.000 1.088 414 T CA 1.542 63.694 62.100 0.088 0.000 1.127 414 T CB -0.325 68.629 68.868 0.143 0.000 0.883 414 T HN 0.546 nan 8.240 nan 0.000 0.493 415 Q N 0.102 119.940 119.800 0.064 0.000 2.297 415 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 415 Q C 2.356 178.375 176.000 0.033 0.000 0.962 415 Q CA 1.211 57.046 55.803 0.053 0.000 0.879 415 Q CB -0.073 28.688 28.738 0.039 0.000 0.947 415 Q HN 0.653 nan 8.270 nan 0.000 0.462 416 Q N 0.120 119.932 119.800 0.021 0.000 2.212 416 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 416 Q C 1.800 177.798 176.000 -0.003 0.000 0.950 416 Q CA 0.844 56.645 55.803 -0.004 0.000 0.863 416 Q CB -0.063 28.666 28.738 -0.015 0.000 0.944 416 Q HN 0.449 nan 8.270 nan 0.000 0.465 417 L N -0.151 121.089 121.223 0.028 0.000 2.046 417 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 417 L C 2.247 179.167 176.870 0.083 0.000 1.077 417 L CA 1.054 55.924 54.840 0.050 0.000 0.747 417 L CB -0.508 41.597 42.059 0.076 0.000 0.896 417 L HN 0.299 nan 8.230 nan 0.000 0.432 418 L N -1.058 120.232 121.223 0.112 0.000 1.994 418 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 418 L C 2.758 179.608 176.870 -0.033 0.000 1.071 418 L CA 1.351 56.284 54.840 0.154 0.000 0.745 418 L CB -0.611 41.535 42.059 0.145 0.000 0.892 418 L HN 0.182 nan 8.230 nan 0.000 0.431 419 S N -0.695 114.981 115.700 -0.039 0.000 2.370 419 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 419 S C 2.117 176.624 174.600 -0.156 0.000 1.033 419 S CA 1.050 59.198 58.200 -0.087 0.000 1.011 419 S CB -0.240 62.923 63.200 -0.062 0.000 0.852 419 S HN 0.263 nan 8.310 nan 0.000 0.457 420 R N 0.987 121.396 120.500 -0.152 0.000 2.081 420 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 420 R C 2.525 178.644 176.300 -0.301 0.000 1.131 420 R CA 1.492 57.482 56.100 -0.183 0.000 0.960 420 R CB -1.487 28.734 30.300 -0.132 0.000 0.856 420 R HN 0.502 nan 8.270 nan 0.000 0.436 421 G N 0.352 108.856 108.800 -0.494 0.000 2.446 421 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 421 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 421 G C 1.516 175.767 174.900 -1.081 0.000 1.168 421 G CA 1.438 45.829 45.100 -1.183 0.000 0.771 421 G HN 0.343 nan 8.290 nan 0.000 0.551 422 V N -0.780 118.715 119.914 -0.699 0.000 2.358 422 V HA 0.003 4.123 4.120 -0.000 0.000 0.246 422 V C 2.692 178.653 176.094 -0.221 0.000 1.047 422 V CA 2.007 64.109 62.300 -0.330 0.000 1.035 422 V CB -0.643 31.088 31.823 -0.153 0.000 0.658 422 V HN 0.152 nan 8.190 nan 0.000 0.452 423 R N 0.670 121.043 120.500 -0.213 0.000 2.080 423 R HA 0.042 4.381 4.340 -0.000 0.000 0.236 423 R C 2.286 178.498 176.300 -0.146 0.000 1.137 423 R CA 2.244 58.248 56.100 -0.161 0.000 0.943 423 R CB -1.204 28.997 30.300 -0.164 0.000 0.846 423 R HN 0.597 nan 8.270 nan 0.000 0.431 424 L N -0.568 120.550 121.223 -0.176 0.000 2.056 424 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 424 L C 2.162 178.978 176.870 -0.090 0.000 1.078 424 L CA 1.644 56.410 54.840 -0.123 0.000 0.749 424 L CB -0.757 41.230 42.059 -0.121 0.000 0.901 424 L HN 0.253 nan 8.230 nan 0.000 0.433 425 T N -0.782 113.703 114.554 -0.114 0.000 2.699 425 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 425 T C 1.784 176.464 174.700 -0.034 0.000 1.036 425 T CA 1.364 63.434 62.100 -0.049 0.000 1.147 425 T CB -0.185 68.663 68.868 -0.033 0.000 0.862 425 T HN 0.296 nan 8.240 nan 0.000 0.446 426 E N 1.162 121.332 120.200 -0.049 0.000 2.110 426 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 426 E C 2.192 178.784 176.600 -0.013 0.000 0.988 426 E CA 0.768 57.152 56.400 -0.027 0.000 0.804 426 E CB -0.404 29.277 29.700 -0.033 0.000 0.745 426 E HN 0.518 nan 8.360 nan 0.000 0.458 427 L N 0.353 121.563 121.223 -0.022 0.000 2.465 427 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 427 L C 2.255 179.130 176.870 0.008 0.000 1.145 427 L CA 0.250 55.092 54.840 0.003 0.000 0.834 427 L CB -0.248 41.813 42.059 0.003 0.000 0.944 427 L HN 0.039 nan 8.230 nan 0.000 0.451 428 L N -0.566 120.655 121.223 -0.002 0.000 2.375 428 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 428 L C 0.984 177.853 176.870 -0.001 0.000 1.108 428 L CA 0.257 55.099 54.840 0.003 0.000 0.830 428 L CB -0.181 41.881 42.059 0.005 0.000 0.959 428 L HN 0.177 nan 8.230 nan 0.000 0.457 429 K N 1.643 122.038 120.400 -0.008 0.000 2.485 429 K HA 0.025 4.345 4.320 -0.000 0.000 0.277 429 K C -0.023 176.571 176.600 -0.011 0.000 0.990 429 K CA 0.629 56.905 56.287 -0.019 0.000 0.994 429 K CB 0.425 32.913 32.500 -0.020 0.000 0.906 429 K HN 0.057 nan 8.250 nan 0.000 0.488 430 Q N 0.826 120.612 119.800 -0.024 0.000 2.327 430 Q HA 0.275 4.615 4.340 -0.000 0.000 0.265 430 Q C -0.783 175.198 176.000 -0.031 0.000 0.993 430 Q CA -0.596 55.197 55.803 -0.016 0.000 0.885 430 Q CB 1.622 30.353 28.738 -0.011 0.000 1.379 430 Q HN 0.772 nan 8.270 nan 0.000 0.408 431 G N 1.932 110.723 108.800 -0.015 0.000 2.636 431 G HA2 0.097 4.057 3.960 -0.000 0.000 0.246 431 G HA3 0.097 4.057 3.960 -0.000 0.000 0.246 431 G C -0.562 174.318 174.900 -0.033 0.000 1.216 431 G CA -0.173 44.919 45.100 -0.013 0.000 0.854 431 G HN 0.656 nan 8.290 nan 0.000 0.572 432 Q N -0.834 118.937 119.800 -0.048 0.000 2.306 432 Q HA 0.305 4.644 4.340 -0.000 0.000 0.241 432 Q C -0.398 175.563 176.000 -0.065 0.000 0.948 432 Q CA -0.467 55.218 55.803 -0.197 0.000 0.886 432 Q CB 0.304 28.824 28.738 -0.363 0.000 1.227 432 Q HN 0.607 nan 8.270 nan 0.000 0.457 433 Y N -0.290 120.008 120.300 -0.004 0.000 4.079 433 Y HA -0.281 4.269 4.550 -0.000 0.000 0.223 433 Y C -0.173 175.720 175.900 -0.012 0.000 1.155 433 Y CA 0.799 58.893 58.100 -0.010 0.000 1.805 433 Y CB -2.496 35.956 38.460 -0.014 0.000 1.571 433 Y HN 0.455 nan 8.280 nan 0.000 0.654 434 S N -1.243 114.502 115.700 0.075 0.000 2.235 434 S HA 0.456 4.926 4.470 -0.000 0.000 0.152 434 S C -2.538 172.070 174.600 0.013 0.000 1.649 434 S CA -1.188 57.038 58.200 0.044 0.000 1.277 434 S CB 1.392 64.616 63.200 0.040 0.000 1.299 434 S HN 0.103 nan 8.310 nan 0.000 0.388 435 P HA 0.257 nan 4.420 nan 0.000 0.271 435 P C -0.210 177.080 177.300 -0.016 0.000 1.226 435 P CA -0.133 62.966 63.100 -0.002 0.000 0.765 435 P CB 0.587 32.289 31.700 0.003 0.000 0.835 436 M N 2.070 121.662 119.600 -0.013 0.000 2.444 436 M HA 0.675 5.155 4.480 -0.000 0.000 0.319 436 M C 0.487 176.773 176.300 -0.023 0.000 1.183 436 M CA -1.053 54.233 55.300 -0.023 0.000 1.032 436 M CB 1.198 33.789 32.600 -0.015 0.000 1.569 436 M HN 0.195 nan 8.290 nan 0.000 0.468 437 A N 1.010 123.807 122.820 -0.039 0.000 2.366 437 A HA 0.317 4.637 4.320 -0.000 0.000 0.249 437 A C 0.874 178.463 177.584 0.008 0.000 1.084 437 A CA -0.505 51.517 52.037 -0.025 0.000 0.794 437 A CB 0.149 19.116 19.000 -0.055 0.000 1.034 437 A HN 0.938 nan 8.150 nan 0.000 0.491 438 I N 0.192 120.788 120.570 0.042 0.000 2.226 438 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 438 I C 2.029 178.157 176.117 0.019 0.000 1.100 438 I CA 1.935 63.258 61.300 0.038 0.000 1.374 438 I CB -0.472 37.559 38.000 0.052 0.000 1.057 438 I HN 0.822 nan 8.210 nan 0.000 0.413 439 E N 0.407 120.611 120.200 0.007 0.000 2.118 439 E HA -0.258 4.091 4.350 -0.000 0.000 0.195 439 E C 2.046 178.632 176.600 -0.023 0.000 0.992 439 E CA 1.733 58.126 56.400 -0.013 0.000 0.804 439 E CB -0.430 29.253 29.700 -0.029 0.000 0.741 439 E HN 0.581 nan 8.360 nan 0.000 0.458 440 E N 0.546 120.728 120.200 -0.031 0.000 2.204 440 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 440 E C 2.027 178.629 176.600 0.004 0.000 0.989 440 E CA 0.887 57.262 56.400 -0.042 0.000 0.824 440 E CB -0.047 29.619 29.700 -0.056 0.000 0.756 440 E HN 0.394 nan 8.360 nan 0.000 0.477 441 Q N 0.285 120.096 119.800 0.019 0.000 2.083 441 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 441 Q C 2.605 178.644 176.000 0.065 0.000 0.969 441 Q CA 1.423 57.251 55.803 0.041 0.000 0.838 441 Q CB -0.240 28.518 28.738 0.034 0.000 0.900 441 Q HN 0.285 nan 8.270 nan 0.000 0.436 442 V N 0.136 120.085 119.914 0.058 0.000 2.295 442 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 442 V C 2.180 178.357 176.094 0.138 0.000 1.049 442 V CA 1.940 64.291 62.300 0.086 0.000 1.024 442 V CB -0.909 30.952 31.823 0.064 0.000 0.648 442 V HN 0.302 nan 8.190 nan 0.000 0.447 443 A N 0.911 123.792 122.820 0.102 0.000 1.873 443 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 443 A C 2.594 180.388 177.584 0.350 0.000 1.193 443 A CA 3.434 55.570 52.037 0.165 0.000 0.629 443 A CB -1.349 17.672 19.000 0.037 0.000 0.826 443 A HN 1.402 nan 8.150 nan 0.000 0.447 444 V N -1.697 118.386 119.914 0.281 0.000 2.515 444 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 444 V C 2.085 178.300 176.094 0.201 0.000 1.058 444 V CA 1.792 64.279 62.300 0.311 0.000 1.064 444 V CB -0.705 31.259 31.823 0.235 0.000 0.675 444 V HN 0.426 nan 8.190 nan 0.000 0.461 445 I N -0.061 120.605 120.570 0.160 0.000 2.252 445 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 445 I C 2.545 178.730 176.117 0.114 0.000 1.102 445 I CA 2.215 63.576 61.300 0.103 0.000 1.385 445 I CB -1.470 36.577 38.000 0.079 0.000 1.064 445 I HN 0.519 nan 8.210 nan 0.000 0.414 446 Y N 2.409 122.747 120.300 0.063 0.000 2.096 446 Y HA -0.367 4.183 4.550 -0.000 0.000 0.278 446 Y C 2.630 178.583 175.900 0.089 0.000 1.192 446 Y CA 2.319 60.463 58.100 0.073 0.000 1.143 446 Y CB -0.354 38.170 38.460 0.106 0.000 0.963 446 Y HN 0.149 nan 8.280 nan 0.000 0.505 447 A N 0.129 123.081 122.820 0.220 0.000 1.873 447 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 447 A C 2.492 180.047 177.584 -0.049 0.000 1.193 447 A CA 2.216 54.317 52.037 0.105 0.000 0.629 447 A CB -1.771 17.201 19.000 -0.046 0.000 0.826 447 A HN 0.640 nan 8.150 nan 0.000 0.447 448 G N -1.498 107.253 108.800 -0.081 0.000 2.394 448 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.215 448 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.215 448 G C 1.559 176.357 174.900 -0.170 0.000 1.165 448 G CA 1.044 46.066 45.100 -0.130 0.000 0.784 448 G HN 0.565 nan 8.290 nan 0.000 0.535 449 V N 0.659 120.474 119.914 -0.164 0.000 2.809 449 V HA 0.073 4.193 4.120 -0.000 0.000 0.256 449 V C 2.325 178.250 176.094 -0.282 0.000 1.080 449 V CA 1.047 63.238 62.300 -0.182 0.000 1.102 449 V CB -0.340 31.409 31.823 -0.123 0.000 0.705 449 V HN 0.178 nan 8.190 nan 0.000 0.475 450 R N 0.340 120.576 120.500 -0.440 0.000 2.310 450 R HA 0.267 4.607 4.340 -0.000 0.000 0.202 450 R C 1.729 177.640 176.300 -0.649 0.000 0.933 450 R CA 0.662 56.385 56.100 -0.628 0.000 1.054 450 R CB -0.653 29.049 30.300 -0.995 0.000 0.985 450 R HN 0.657 nan 8.270 nan 0.000 0.489 451 G N 0.358 108.895 108.800 -0.438 0.000 2.179 451 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 451 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 451 G C 0.560 175.280 174.900 -0.301 0.000 0.977 451 G CA 0.392 45.290 45.100 -0.337 0.000 0.641 451 G HN 0.327 nan 8.290 nan 0.000 0.533 452 Y N 0.182 120.356 120.300 -0.209 0.000 2.274 452 Y HA 0.155 4.705 4.550 -0.000 0.000 0.290 452 Y C 2.705 178.451 175.900 -0.257 0.000 1.145 452 Y CA 1.558 59.537 58.100 -0.203 0.000 1.203 452 Y CB -0.218 38.120 38.460 -0.205 0.000 0.984 452 Y HN 0.370 nan 8.280 nan 0.000 0.533 453 L N -0.015 121.108 121.223 -0.165 0.000 2.627 453 L HA 0.022 4.362 4.340 -0.000 0.000 0.232 453 L C 0.725 177.483 176.870 -0.187 0.000 1.150 453 L CA 0.106 54.782 54.840 -0.274 0.000 0.917 453 L CB -0.219 41.624 42.059 -0.360 0.000 1.104 453 L HN 0.068 nan 8.230 nan 0.000 0.445 454 D N 0.624 120.937 120.400 -0.145 0.000 2.348 454 D HA -0.098 4.542 4.640 -0.000 0.000 0.216 454 D C 1.869 178.116 176.300 -0.087 0.000 0.970 454 D CA 1.004 54.934 54.000 -0.118 0.000 0.889 454 D CB 0.272 41.004 40.800 -0.114 0.000 0.912 454 D HN 0.310 nan 8.370 nan 0.000 0.524 455 K N -0.490 119.861 120.400 -0.081 0.000 2.335 455 K HA 0.097 4.417 4.320 -0.000 0.000 0.195 455 K C 0.526 177.101 176.600 -0.042 0.000 1.058 455 K CA -0.475 55.783 56.287 -0.048 0.000 0.988 455 K CB 0.564 33.047 32.500 -0.028 0.000 0.880 455 K HN -0.003 nan 8.250 nan 0.000 0.513 456 L N 2.874 124.051 121.223 -0.077 0.000 2.485 456 L HA -0.008 4.332 4.340 -0.000 0.000 0.275 456 L C 0.181 177.032 176.870 -0.031 0.000 1.207 456 L CA 0.474 55.281 54.840 -0.055 0.000 0.855 456 L CB 0.363 42.318 42.059 -0.173 0.000 1.114 456 L HN 0.080 nan 8.230 nan 0.000 0.485 457 E N 6.272 126.485 120.200 0.022 0.000 2.344 457 E HA 0.088 4.438 4.350 -0.000 0.000 0.270 457 E C -1.737 174.874 176.600 0.018 0.000 1.021 457 E CA -1.398 55.014 56.400 0.021 0.000 0.887 457 E CB 1.060 30.787 29.700 0.044 0.000 0.997 457 E HN 0.504 nan 8.360 nan 0.000 0.429 458 P HA -0.269 nan 4.420 nan 0.000 0.217 458 P C 1.111 178.423 177.300 0.021 0.000 1.158 458 P CA 1.885 64.981 63.100 -0.007 0.000 0.887 458 P CB 0.042 31.735 31.700 -0.012 0.000 0.792 459 S N -0.966 114.756 115.700 0.037 0.000 2.419 459 S HA -0.158 4.311 4.470 -0.000 0.000 0.235 459 S C 1.642 176.295 174.600 0.089 0.000 1.019 459 S CA 1.365 59.598 58.200 0.054 0.000 0.982 459 S CB -0.785 62.445 63.200 0.050 0.000 0.789 459 S HN 0.152 nan 8.310 nan 0.000 0.490 460 K N 1.137 121.609 120.400 0.120 0.000 2.314 460 K HA 0.349 4.669 4.320 -0.000 0.000 0.198 460 K C 1.794 178.510 176.600 0.193 0.000 1.045 460 K CA 0.276 56.695 56.287 0.219 0.000 0.988 460 K CB -0.357 32.343 32.500 0.334 0.000 0.783 460 K HN 0.323 nan 8.250 nan 0.000 0.484 461 I N 1.264 121.884 120.570 0.082 0.000 2.248 461 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 461 I C 1.335 177.515 176.117 0.104 0.000 1.107 461 I CA 1.631 62.951 61.300 0.033 0.000 1.373 461 I CB -1.330 36.651 38.000 -0.032 0.000 1.055 461 I HN 0.198 nan 8.210 nan 0.000 0.418 462 T N 0.579 115.194 114.554 0.103 0.000 2.857 462 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 462 T C 1.928 176.714 174.700 0.143 0.000 1.048 462 T CA 1.228 63.390 62.100 0.103 0.000 1.139 462 T CB -0.147 68.764 68.868 0.073 0.000 0.874 462 T HN 0.402 nan 8.240 nan 0.000 0.455 463 K N 0.296 120.815 120.400 0.199 0.000 2.116 463 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 463 K C 2.050 178.817 176.600 0.279 0.000 1.052 463 K CA 0.633 57.077 56.287 0.263 0.000 0.952 463 K CB -0.306 32.397 32.500 0.339 0.000 0.729 463 K HN 0.290 nan 8.250 nan 0.000 0.446 464 F N 2.761 122.704 119.950 -0.011 0.000 2.026 464 F HA -0.245 4.282 4.527 -0.000 0.000 0.296 464 F C 2.435 178.220 175.800 -0.025 0.000 1.133 464 F CA 2.350 60.151 58.000 -0.331 0.000 1.188 464 F CB -0.420 38.253 39.000 -0.546 0.000 0.968 464 F HN 0.203 nan 8.300 nan 0.000 0.476 465 E N 0.119 120.483 120.200 0.273 0.000 2.114 465 E HA -0.393 3.957 4.350 -0.000 0.000 0.199 465 E C 1.993 178.660 176.600 0.112 0.000 1.008 465 E CA 1.833 58.374 56.400 0.235 0.000 0.810 465 E CB -0.537 29.276 29.700 0.189 0.000 0.739 465 E HN 0.540 nan 8.360 nan 0.000 0.456 466 N N -0.013 118.741 118.700 0.090 0.000 2.188 466 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 466 N C 1.568 177.108 175.510 0.051 0.000 1.018 466 N CA 1.801 54.890 53.050 0.064 0.000 0.858 466 N CB -0.222 38.315 38.487 0.083 0.000 0.989 466 N HN 0.242 nan 8.380 nan 0.000 0.426 467 A N -0.410 122.457 122.820 0.079 0.000 1.874 467 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 467 A C 2.101 179.709 177.584 0.039 0.000 1.189 467 A CA 0.920 53.055 52.037 0.165 0.000 0.615 467 A CB -1.145 18.068 19.000 0.354 0.000 0.830 467 A HN 0.429 nan 8.150 nan 0.000 0.443 468 F N 0.540 120.180 119.950 -0.517 0.000 2.095 468 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 468 F C 1.834 177.385 175.800 -0.415 0.000 1.104 468 F CA 1.791 59.209 58.000 -0.969 0.000 1.232 468 F CB -0.519 37.857 39.000 -1.040 0.000 0.987 468 F HN 0.188 nan 8.300 nan 0.000 0.475 469 L N 0.167 121.159 121.223 -0.385 0.000 2.012 469 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 469 L C 2.451 179.162 176.870 -0.266 0.000 1.073 469 L CA 2.292 56.912 54.840 -0.366 0.000 0.748 469 L CB -1.294 40.684 42.059 -0.136 0.000 0.891 469 L HN 0.167 nan 8.230 nan 0.000 0.431 470 S N -1.659 113.962 115.700 -0.131 0.000 2.399 470 S HA -0.232 4.238 4.470 -0.000 0.000 0.231 470 S C 1.883 176.465 174.600 -0.030 0.000 1.022 470 S CA 1.240 59.405 58.200 -0.058 0.000 0.983 470 S CB -0.566 62.640 63.200 0.010 0.000 0.803 470 S HN 0.706 nan 8.310 nan 0.000 0.480 471 H N 1.817 120.794 119.070 -0.154 0.000 2.299 471 H HA -0.018 4.538 4.556 -0.000 0.000 0.302 471 H C 2.226 177.455 175.328 -0.165 0.000 1.078 471 H CA 1.960 57.943 56.048 -0.108 0.000 1.323 471 H CB -0.754 28.982 29.762 -0.043 0.000 1.381 471 H HN 0.195 nan 8.280 nan 0.000 0.498 472 V N 0.111 119.728 119.914 -0.495 0.000 2.407 472 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 472 V C 2.339 178.259 176.094 -0.290 0.000 1.055 472 V CA 2.024 64.049 62.300 -0.458 0.000 1.049 472 V CB -0.793 30.673 31.823 -0.595 0.000 0.662 472 V HN 0.480 nan 8.190 nan 0.000 0.455 473 I N 0.760 121.182 120.570 -0.247 0.000 2.208 473 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 473 I C 2.839 178.871 176.117 -0.142 0.000 1.097 473 I CA 2.120 63.320 61.300 -0.166 0.000 1.363 473 I CB -0.701 37.223 38.000 -0.127 0.000 1.051 473 I HN 0.525 nan 8.210 nan 0.000 0.413 474 S N 0.212 115.828 115.700 -0.140 0.000 2.325 474 S HA -0.157 4.313 4.470 -0.000 0.000 0.214 474 S C 1.967 176.459 174.600 -0.181 0.000 1.031 474 S CA 1.166 59.296 58.200 -0.116 0.000 0.972 474 S CB -0.034 63.138 63.200 -0.047 0.000 0.908 474 S HN 0.405 nan 8.310 nan 0.000 0.453 475 Q N -0.947 118.670 119.800 -0.304 0.000 2.269 475 Q HA 0.071 4.411 4.340 -0.000 0.000 0.201 475 Q C 0.205 175.802 176.000 -0.671 0.000 0.946 475 Q CA 0.775 56.281 55.803 -0.495 0.000 0.877 475 Q CB 0.172 28.534 28.738 -0.627 0.000 0.963 475 Q HN 0.688 nan 8.270 nan 0.000 0.472 476 H N -0.304 118.614 119.070 -0.253 0.000 2.502 476 H HA 0.156 4.712 4.556 -0.000 0.000 0.268 476 H C 0.851 176.078 175.328 -0.170 0.000 1.177 476 H CA -0.399 55.524 56.048 -0.208 0.000 0.961 476 H CB 0.620 30.223 29.762 -0.264 0.000 1.737 476 H HN 0.043 nan 8.280 nan 0.000 0.569 477 Q N 0.920 120.671 119.800 -0.082 0.000 2.112 477 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 477 Q C 2.351 178.323 176.000 -0.047 0.000 0.987 477 Q CA 1.487 57.247 55.803 -0.071 0.000 0.858 477 Q CB -0.206 28.489 28.738 -0.072 0.000 0.905 477 Q HN 0.664 nan 8.270 nan 0.000 0.420 478 A N 0.743 123.544 122.820 -0.033 0.000 2.019 478 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 478 A C 1.988 179.559 177.584 -0.022 0.000 1.164 478 A CA 0.979 53.003 52.037 -0.022 0.000 0.644 478 A CB -0.530 18.463 19.000 -0.011 0.000 0.805 478 A HN 0.401 nan 8.150 nan 0.000 0.449 479 L N -0.900 120.311 121.223 -0.020 0.000 2.270 479 L HA 0.056 4.396 4.340 -0.000 0.000 0.210 479 L C 2.045 178.874 176.870 -0.067 0.000 1.104 479 L CA 0.949 55.759 54.840 -0.050 0.000 0.804 479 L CB -0.251 41.762 42.059 -0.077 0.000 0.937 479 L HN 0.411 nan 8.230 nan 0.000 0.450 480 L N -0.521 120.662 121.223 -0.066 0.000 2.109 480 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 480 L C 2.603 179.443 176.870 -0.049 0.000 1.086 480 L CA 1.077 55.875 54.840 -0.070 0.000 0.760 480 L CB -0.904 41.106 42.059 -0.081 0.000 0.910 480 L HN 0.305 nan 8.230 nan 0.000 0.437 481 G N -0.138 108.637 108.800 -0.041 0.000 2.402 481 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.216 481 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.216 481 G C 1.689 176.574 174.900 -0.025 0.000 1.162 481 G CA 0.326 45.408 45.100 -0.028 0.000 0.777 481 G HN 0.232 nan 8.290 nan 0.000 0.539 482 K N -0.126 120.256 120.400 -0.030 0.000 2.057 482 K HA 0.052 4.372 4.320 -0.000 0.000 0.207 482 K C 2.390 178.973 176.600 -0.029 0.000 1.049 482 K CA 0.776 57.046 56.287 -0.028 0.000 0.931 482 K CB -0.241 32.240 32.500 -0.032 0.000 0.714 482 K HN 0.304 nan 8.250 nan 0.000 0.440 483 I N 0.536 121.083 120.570 -0.038 0.000 2.335 483 I HA -0.317 3.852 4.170 -0.000 0.000 0.251 483 I C 2.630 178.736 176.117 -0.018 0.000 1.129 483 I CA 1.134 62.413 61.300 -0.035 0.000 1.402 483 I CB -0.165 37.806 38.000 -0.048 0.000 1.069 483 I HN 0.199 nan 8.210 nan 0.000 0.424 484 R N 0.233 120.725 120.500 -0.014 0.000 2.051 484 R HA -0.104 4.236 4.340 -0.000 0.000 0.225 484 R C 2.317 178.615 176.300 -0.004 0.000 1.155 484 R CA 1.901 57.999 56.100 -0.004 0.000 0.945 484 R CB -0.407 29.894 30.300 0.001 0.000 0.840 484 R HN 0.169 nan 8.270 nan 0.000 0.432 485 T N 1.789 116.339 114.554 -0.006 0.000 2.481 485 T HA -0.228 4.122 4.350 -0.000 0.000 0.252 485 T C 1.180 175.877 174.700 -0.005 0.000 1.242 485 T CA 2.117 64.214 62.100 -0.006 0.000 1.170 485 T CB -0.731 68.132 68.868 -0.008 0.000 0.860 485 T HN 0.386 nan 8.240 nan 0.000 0.422 486 D N 0.682 121.077 120.400 -0.008 0.000 2.393 486 D HA -0.017 4.623 4.640 -0.000 0.000 0.220 486 D C 1.849 178.147 176.300 -0.003 0.000 0.974 486 D CA 1.188 55.185 54.000 -0.006 0.000 0.931 486 D CB -0.711 40.084 40.800 -0.008 0.000 0.889 486 D HN 0.681 nan 8.370 nan 0.000 0.512 487 G N 1.088 109.886 108.800 -0.003 0.000 2.562 487 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.241 487 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.241 487 G C 0.666 175.567 174.900 0.001 0.000 1.120 487 G CA 1.334 46.434 45.100 -0.001 0.000 0.673 487 G HN 0.574 nan 8.290 nan 0.000 0.519 488 K N -0.685 119.716 120.400 0.002 0.000 2.158 488 K HA 0.806 5.126 4.320 -0.000 0.000 0.243 488 K C -0.609 175.992 176.600 0.002 0.000 1.079 488 K CA -1.187 55.105 56.287 0.008 0.000 0.920 488 K CB 0.936 33.444 32.500 0.013 0.000 1.400 488 K HN 0.081 nan 8.250 nan 0.000 0.561 489 I N 2.565 123.143 120.570 0.013 0.000 2.281 489 I HA 0.060 4.230 4.170 -0.000 0.000 0.293 489 I C 0.338 176.459 176.117 0.006 0.000 1.085 489 I CA 0.180 61.481 61.300 0.002 0.000 1.257 489 I CB 0.845 38.867 38.000 0.037 0.000 1.430 489 I HN 0.668 nan 8.210 nan 0.000 0.489 490 S N 3.830 119.525 115.700 -0.010 0.000 2.596 490 S HA 0.093 4.563 4.470 -0.000 0.000 0.260 490 S C 1.266 175.868 174.600 0.004 0.000 1.336 490 S CA -0.168 58.031 58.200 -0.002 0.000 0.993 490 S CB 0.744 63.939 63.200 -0.008 0.000 0.923 490 S HN 0.709 nan 8.310 nan 0.000 0.567 491 E N 0.440 120.646 120.200 0.011 0.000 2.153 491 E HA -0.164 4.185 4.350 -0.000 0.000 0.194 491 E C 1.839 178.446 176.600 0.013 0.000 0.988 491 E CA 1.488 57.899 56.400 0.019 0.000 0.811 491 E CB -0.097 29.614 29.700 0.018 0.000 0.746 491 E HN 0.824 nan 8.360 nan 0.000 0.466 492 E N -0.141 120.060 120.200 0.001 0.000 2.015 492 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 492 E C 2.249 178.834 176.600 -0.026 0.000 0.991 492 E CA 1.199 57.595 56.400 -0.007 0.000 0.802 492 E CB -0.086 29.609 29.700 -0.010 0.000 0.759 492 E HN 0.062 nan 8.360 nan 0.000 0.447 493 S N 1.104 116.778 115.700 -0.043 0.000 2.387 493 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 493 S C 1.679 176.210 174.600 -0.116 0.000 1.035 493 S CA 1.706 59.853 58.200 -0.088 0.000 1.014 493 S CB -0.337 62.805 63.200 -0.098 0.000 0.836 493 S HN 0.282 nan 8.310 nan 0.000 0.466 494 D N 0.735 121.104 120.400 -0.051 0.000 2.219 494 D HA 0.039 4.678 4.640 -0.000 0.000 0.205 494 D C 1.784 178.122 176.300 0.064 0.000 0.970 494 D CA 1.017 55.024 54.000 0.012 0.000 0.851 494 D CB -0.147 40.711 40.800 0.096 0.000 0.943 494 D HN 0.371 nan 8.370 nan 0.000 0.488 495 A N -0.112 122.728 122.820 0.032 0.000 1.943 495 A HA 0.039 4.359 4.320 -0.000 0.000 0.213 495 A C 2.056 179.646 177.584 0.010 0.000 1.181 495 A CA 0.992 53.056 52.037 0.044 0.000 0.653 495 A CB -0.345 18.675 19.000 0.033 0.000 0.833 495 A HN 0.134 nan 8.150 nan 0.000 0.451 496 K N -0.015 120.364 120.400 -0.036 0.000 2.057 496 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 496 K C 1.721 178.254 176.600 -0.112 0.000 1.050 496 K CA 1.168 57.410 56.287 -0.075 0.000 0.935 496 K CB -0.349 32.093 32.500 -0.097 0.000 0.715 496 K HN 0.413 nan 8.250 nan 0.000 0.439 497 L N 0.983 122.125 121.223 -0.136 0.000 2.083 497 L HA -0.184 4.155 4.340 -0.000 0.000 0.209 497 L C 2.624 179.464 176.870 -0.051 0.000 1.083 497 L CA 1.434 56.185 54.840 -0.147 0.000 0.752 497 L CB -0.382 41.428 42.059 -0.416 0.000 0.899 497 L HN 0.240 nan 8.230 nan 0.000 0.433 498 K N -0.076 120.349 120.400 0.042 0.000 2.057 498 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 498 K C 1.981 178.542 176.600 -0.064 0.000 1.049 498 K CA 1.400 57.702 56.287 0.025 0.000 0.931 498 K CB 0.167 32.789 32.500 0.203 0.000 0.714 498 K HN 0.127 nan 8.250 nan 0.000 0.440 499 E N 1.116 121.305 120.200 -0.019 0.000 2.015 499 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 499 E C 1.942 178.544 176.600 0.003 0.000 0.991 499 E CA 1.220 57.619 56.400 -0.001 0.000 0.802 499 E CB -0.354 29.354 29.700 0.012 0.000 0.759 499 E HN 0.298 nan 8.360 nan 0.000 0.447 500 I N 0.667 121.228 120.570 -0.016 0.000 2.064 500 I HA -0.355 3.815 4.170 -0.000 0.000 0.234 500 I C 2.479 178.673 176.117 0.128 0.000 1.019 500 I CA 2.060 63.395 61.300 0.059 0.000 1.301 500 I CB -0.979 36.990 38.000 -0.051 0.000 1.017 500 I HN 0.100 nan 8.210 nan 0.000 0.392 501 V N -0.359 119.549 119.914 -0.010 0.000 2.324 501 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 501 V C 2.553 178.615 176.094 -0.052 0.000 1.060 501 V CA 2.489 64.714 62.300 -0.125 0.000 1.042 501 V CB -1.991 29.525 31.823 -0.511 0.000 0.650 501 V HN 0.714 nan 8.190 nan 0.000 0.450 502 T N -0.848 113.624 114.554 -0.137 0.000 2.622 502 T HA -0.253 4.097 4.350 -0.000 0.000 0.266 502 T C 1.892 176.643 174.700 0.086 0.000 1.047 502 T CA 1.932 64.017 62.100 -0.024 0.000 1.159 502 T CB -0.942 67.925 68.868 -0.002 0.000 0.863 502 T HN 0.535 nan 8.240 nan 0.000 0.422 503 N N 0.976 119.740 118.700 0.106 0.000 2.018 503 N HA -0.078 4.662 4.740 -0.000 0.000 0.196 503 N C 1.565 177.177 175.510 0.171 0.000 1.043 503 N CA 1.572 54.697 53.050 0.126 0.000 0.856 503 N CB -0.869 37.696 38.487 0.129 0.000 1.042 503 N HN 0.439 nan 8.380 nan 0.000 0.423 504 F N 1.876 121.887 119.950 0.101 0.000 2.063 504 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 504 F C 2.491 178.408 175.800 0.196 0.000 1.109 504 F CA 1.298 59.370 58.000 0.121 0.000 1.212 504 F CB -0.658 38.438 39.000 0.160 0.000 0.973 504 F HN 0.021 nan 8.300 nan 0.000 0.480 505 L N 0.210 121.722 121.223 0.481 0.000 1.990 505 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 505 L C 2.555 179.588 176.870 0.272 0.000 1.072 505 L CA 2.062 57.173 54.840 0.452 0.000 0.755 505 L CB -0.975 41.230 42.059 0.243 0.000 0.889 505 L HN 0.226 nan 8.230 nan 0.000 0.432 506 A N -0.362 122.553 122.820 0.159 0.000 1.917 506 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 506 A C 2.316 179.932 177.584 0.053 0.000 1.182 506 A CA 1.899 53.992 52.037 0.094 0.000 0.633 506 A CB -1.685 17.355 19.000 0.067 0.000 0.819 506 A HN 0.595 nan 8.150 nan 0.000 0.448 507 G N -1.713 107.090 108.800 0.004 0.000 2.418 507 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 507 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 507 G C 1.453 176.303 174.900 -0.083 0.000 1.158 507 G CA 1.061 46.110 45.100 -0.084 0.000 0.771 507 G HN 0.477 nan 8.290 nan 0.000 0.545 508 F N 1.216 121.052 119.950 -0.190 0.000 2.216 508 F HA 0.036 4.563 4.527 -0.000 0.000 0.300 508 F C 2.089 177.879 175.800 -0.016 0.000 1.085 508 F CA 1.351 59.285 58.000 -0.111 0.000 1.326 508 F CB 0.264 39.309 39.000 0.075 0.000 1.027 508 F HN 0.168 nan 8.300 nan 0.000 0.497 509 E N 0.449 120.724 120.200 0.125 0.000 2.499 509 E HA 0.295 4.645 4.350 -0.000 0.000 0.207 509 E C 0.286 176.880 176.600 -0.010 0.000 1.034 509 E CA -0.304 56.126 56.400 0.050 0.000 1.098 509 E CB 0.142 29.925 29.700 0.138 0.000 1.148 509 E HN 0.310 nan 8.360 nan 0.000 0.447 510 A N 0.000 122.788 122.820 -0.054 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 510 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486