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 1xcg_1_A DATA FIRST_RESID 714 DATA SEQUENCE QNWQHTVGKD VVAGLTQREI DRQEVINELF VTEASHLRTL RVLDLIFYQR DATA SEQUENCE MKKENLMPRE ELARLFPNLP ELIEIHNSWC EAMKKLREEG PIIKEISDLM DATA SEQUENCE LARFDGPARE ELQQVAAQFC SYQSIALELI KTKQRKESRF QLFMQEAESH DATA SEQUENCE PQCRRLQLRD LIISEMQRLT KYPLLLESII KHTEGGTSEH EKLCRARDQC DATA SEQUENCE REILKYVNEA VKQTENRHRL EGYQKRLDAT ALERASNPLA AEFKSLDLTT DATA SEQUENCE RKMIHEGPLT WRISKDKTLD LHVLLLEDLL VLLQKQDEKL LLKCXXXXXX DATA SEQUENCE XXXXXXXTFS PVLKLNAVLI RSVATDKRAF FIICTSKLGP PQIYELVALT DATA SEQUENCE SSDKNTWMEL LEEAVRNA 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 714 Q HA 0.000 nan 4.340 nan 0.000 0.214 714 Q C 0.000 176.059 176.000 0.098 0.000 1.003 714 Q CA 0.000 55.843 55.803 0.066 0.000 1.022 714 Q CB 0.000 28.770 28.738 0.054 0.000 1.108 715 N N -0.690 118.083 118.700 0.122 0.000 2.431 715 N HA 0.200 4.942 4.740 0.004 0.000 0.275 715 N C -0.816 174.786 175.510 0.153 0.000 1.091 715 N CA -0.212 52.936 53.050 0.163 0.000 0.922 715 N CB 0.939 39.577 38.487 0.252 0.000 1.666 715 N HN 0.288 nan 8.380 nan 0.000 0.484 716 W N 2.166 123.460 121.300 -0.010 0.000 2.354 716 W HA -0.122 4.541 4.660 0.005 0.000 0.315 716 W C 1.695 178.170 176.519 -0.073 0.000 1.206 716 W CA 1.663 58.985 57.345 -0.037 0.000 1.290 716 W CB -0.034 29.390 29.460 -0.059 0.000 1.152 716 W HN 0.689 nan 8.180 nan 0.000 0.489 717 Q N -1.362 118.472 119.800 0.056 0.000 2.062 717 Q HA -0.299 4.043 4.340 0.004 0.000 0.209 717 Q C 2.037 177.787 176.000 -0.417 0.000 0.996 717 Q CA 2.122 57.776 55.803 -0.248 0.000 0.859 717 Q CB -0.653 27.848 28.738 -0.396 0.000 0.920 717 Q HN 0.441 nan 8.270 nan 0.000 0.415 718 H N -1.165 117.851 119.070 -0.090 0.000 2.551 718 H HA 0.056 4.615 4.556 0.004 0.000 0.266 718 H C 1.679 176.933 175.328 -0.124 0.000 0.964 718 H CA 1.447 57.442 56.048 -0.087 0.000 1.180 718 H CB 0.285 30.024 29.762 -0.038 0.000 1.408 718 H HN 0.412 nan 8.280 nan 0.000 0.563 719 T N -0.632 113.863 114.554 -0.099 0.000 2.589 719 T HA 0.161 4.514 4.350 0.004 0.000 0.178 719 T C 1.010 175.546 174.700 -0.273 0.000 0.708 719 T CA 0.133 62.151 62.100 -0.135 0.000 1.734 719 T CB -0.677 68.141 68.868 -0.083 0.000 2.792 719 T HN -0.025 nan 8.240 nan 0.000 0.406 720 V N 0.921 120.621 119.914 -0.356 0.000 2.673 720 V HA 0.544 4.667 4.120 0.004 0.000 0.303 720 V C 1.231 176.840 176.094 -0.808 0.000 1.046 720 V CA -0.292 61.749 62.300 -0.432 0.000 1.126 720 V CB -0.651 30.999 31.823 -0.289 0.000 0.934 720 V HN 1.592 nan 8.190 nan 0.000 0.487 721 G N 3.398 111.878 108.800 -0.533 0.000 2.353 721 G HA2 -0.257 3.705 3.960 0.004 0.000 0.294 721 G HA3 -0.257 3.705 3.960 0.004 0.000 0.294 721 G C 0.352 174.962 174.900 -0.483 0.000 1.077 721 G CA 0.584 45.354 45.100 -0.549 0.000 1.098 721 G HN 1.497 nan 8.290 nan 0.000 0.511 722 K N -0.859 119.370 120.400 -0.286 0.000 2.166 722 K HA 0.209 4.532 4.320 0.004 0.000 0.201 722 K C 1.594 178.123 176.600 -0.119 0.000 1.052 722 K CA 1.182 57.355 56.287 -0.191 0.000 0.969 722 K CB 0.187 32.608 32.500 -0.132 0.000 0.761 722 K HN 0.182 nan 8.250 nan 0.000 0.459 723 D N -0.198 120.144 120.400 -0.096 0.000 2.305 723 D HA -0.017 4.626 4.640 0.004 0.000 0.206 723 D C 1.273 177.550 176.300 -0.038 0.000 0.974 723 D CA 0.274 54.242 54.000 -0.054 0.000 0.871 723 D CB 0.614 41.389 40.800 -0.040 0.000 0.947 723 D HN 0.097 nan 8.370 nan 0.000 0.516 724 V N -0.397 119.488 119.914 -0.048 0.000 3.650 724 V HA 0.082 4.205 4.120 0.004 0.000 0.271 724 V C 1.784 177.903 176.094 0.041 0.000 1.281 724 V CA 0.273 62.575 62.300 0.002 0.000 1.120 724 V CB 0.681 32.518 31.823 0.023 0.000 0.856 724 V HN 0.074 nan 8.190 nan 0.000 0.443 725 V N 0.784 120.700 119.914 0.004 0.000 2.667 725 V HA -0.086 4.037 4.120 0.004 0.000 0.252 725 V C 2.504 178.624 176.094 0.043 0.000 1.065 725 V CA 2.026 64.363 62.300 0.061 0.000 1.083 725 V CB -0.058 31.763 31.823 -0.003 0.000 0.692 725 V HN 0.580 nan 8.190 nan 0.000 0.468 726 A N -0.390 122.438 122.820 0.014 0.000 2.178 726 A HA 0.049 4.371 4.320 0.004 0.000 0.218 726 A C 2.135 179.729 177.584 0.018 0.000 1.157 726 A CA 1.515 53.559 52.037 0.011 0.000 0.689 726 A CB -0.729 18.272 19.000 0.002 0.000 0.787 726 A HN 0.632 nan 8.150 nan 0.000 0.465 727 G N -1.036 107.781 108.800 0.027 0.000 2.719 727 G HA2 0.358 4.321 3.960 0.004 0.000 0.211 727 G HA3 0.358 4.321 3.960 0.004 0.000 0.211 727 G C 0.593 175.509 174.900 0.027 0.000 1.140 727 G CA -0.158 44.957 45.100 0.025 0.000 0.790 727 G HN 0.375 nan 8.290 nan 0.000 0.529 728 L N 0.557 121.803 121.223 0.038 0.000 2.439 728 L HA 0.417 4.759 4.340 0.004 0.000 0.259 728 L C 1.037 177.914 176.870 0.012 0.000 1.129 728 L CA -0.664 54.193 54.840 0.028 0.000 0.803 728 L CB 1.329 43.414 42.059 0.043 0.000 1.161 728 L HN -0.027 nan 8.230 nan 0.000 0.462 729 T N -0.833 113.720 114.554 -0.002 0.000 2.828 729 T HA 0.001 4.354 4.350 0.004 0.000 0.290 729 T C 0.725 175.409 174.700 -0.027 0.000 1.019 729 T CA -0.181 61.913 62.100 -0.010 0.000 1.031 729 T CB 1.291 70.153 68.868 -0.010 0.000 1.001 729 T HN 0.653 nan 8.240 nan 0.000 0.531 730 Q N 1.275 121.058 119.800 -0.029 0.000 2.124 730 Q HA -0.041 4.302 4.340 0.004 0.000 0.202 730 Q C 2.340 178.281 176.000 -0.099 0.000 0.977 730 Q CA 1.776 57.549 55.803 -0.051 0.000 0.850 730 Q CB -0.124 28.593 28.738 -0.034 0.000 0.901 730 Q HN 0.595 nan 8.270 nan 0.000 0.429 731 R N -0.215 120.243 120.500 -0.070 0.000 2.092 731 R HA -0.115 4.227 4.340 0.004 0.000 0.231 731 R C 1.925 178.152 176.300 -0.122 0.000 1.119 731 R CA 1.453 57.506 56.100 -0.078 0.000 0.970 731 R CB -0.109 30.200 30.300 0.014 0.000 0.864 731 R HN 0.268 nan 8.270 nan 0.000 0.440 732 E N 0.644 120.787 120.200 -0.095 0.000 2.208 732 E HA -0.086 4.266 4.350 0.004 0.000 0.193 732 E C 1.705 178.177 176.600 -0.213 0.000 0.988 732 E CA 0.677 57.003 56.400 -0.124 0.000 0.828 732 E CB -0.012 29.645 29.700 -0.073 0.000 0.763 732 E HN 0.101 nan 8.360 nan 0.000 0.478 733 I N 1.222 121.684 120.570 -0.180 0.000 2.193 733 I HA -0.191 3.982 4.170 0.004 0.000 0.240 733 I C 1.491 177.419 176.117 -0.314 0.000 1.084 733 I CA 1.234 62.411 61.300 -0.204 0.000 1.365 733 I CB -1.263 36.702 38.000 -0.059 0.000 1.064 733 I HN 0.104 nan 8.210 nan 0.000 0.410 734 D N 0.385 120.572 120.400 -0.354 0.000 2.149 734 D HA -0.200 4.443 4.640 0.004 0.000 0.198 734 D C 2.322 178.338 176.300 -0.474 0.000 0.990 734 D CA 0.980 54.658 54.000 -0.536 0.000 0.839 734 D CB -0.297 39.866 40.800 -1.063 0.000 0.948 734 D HN 0.232 nan 8.370 nan 0.000 0.460 735 R N 0.184 120.464 120.500 -0.367 0.000 2.081 735 R HA -0.126 4.217 4.340 0.004 0.000 0.235 735 R C 2.027 178.119 176.300 -0.347 0.000 1.131 735 R CA 1.089 57.071 56.100 -0.198 0.000 0.960 735 R CB 0.106 30.330 30.300 -0.126 0.000 0.856 735 R HN 0.121 nan 8.270 nan 0.000 0.436 736 Q N 0.238 119.701 119.800 -0.562 0.000 2.124 736 Q HA -0.145 4.197 4.340 0.004 0.000 0.202 736 Q C 1.874 177.344 176.000 -0.883 0.000 0.977 736 Q CA 1.182 56.395 55.803 -0.982 0.000 0.850 736 Q CB -0.022 27.582 28.738 -1.889 0.000 0.901 736 Q HN 0.385 nan 8.270 nan 0.000 0.429 737 E N 0.006 119.888 120.200 -0.530 0.000 2.047 737 E HA -0.091 4.261 4.350 0.004 0.000 0.191 737 E C 2.198 178.691 176.600 -0.179 0.000 0.987 737 E CA 0.863 57.121 56.400 -0.236 0.000 0.799 737 E CB -0.083 29.549 29.700 -0.112 0.000 0.752 737 E HN 0.150 nan 8.360 nan 0.000 0.449 738 V N 1.458 121.270 119.914 -0.170 0.000 2.427 738 V HA -0.200 3.922 4.120 0.004 0.000 0.248 738 V C 2.410 178.399 176.094 -0.174 0.000 1.051 738 V CA 1.149 63.389 62.300 -0.101 0.000 1.048 738 V CB -0.417 31.395 31.823 -0.017 0.000 0.666 738 V HN 0.156 nan 8.190 nan 0.000 0.456 739 I N 0.627 121.013 120.570 -0.307 0.000 2.226 739 I HA -0.240 3.932 4.170 0.004 0.000 0.245 739 I C 2.556 178.294 176.117 -0.631 0.000 1.100 739 I CA 1.699 62.694 61.300 -0.508 0.000 1.374 739 I CB -0.469 37.172 38.000 -0.598 0.000 1.057 739 I HN 0.417 nan 8.210 nan 0.000 0.413 740 N N 0.915 119.367 118.700 -0.413 0.000 2.084 740 N HA -0.273 4.470 4.740 0.004 0.000 0.190 740 N C 1.907 177.402 175.510 -0.025 0.000 1.030 740 N CA 1.669 54.625 53.050 -0.156 0.000 0.849 740 N CB -0.067 38.458 38.487 0.063 0.000 1.012 740 N HN 0.409 nan 8.380 nan 0.000 0.423 741 E N 0.498 120.681 120.200 -0.028 0.000 2.070 741 E HA -0.221 4.132 4.350 0.004 0.000 0.197 741 E C 2.300 178.931 176.600 0.053 0.000 1.004 741 E CA 1.091 57.506 56.400 0.026 0.000 0.805 741 E CB -0.146 29.565 29.700 0.018 0.000 0.744 741 E HN 0.345 nan 8.360 nan 0.000 0.451 742 L N 0.373 121.610 121.223 0.023 0.000 1.989 742 L HA -0.203 4.139 4.340 0.004 0.000 0.211 742 L C 2.214 179.217 176.870 0.222 0.000 1.071 742 L CA 1.743 56.653 54.840 0.117 0.000 0.749 742 L CB -0.616 41.507 42.059 0.107 0.000 0.890 742 L HN 0.115 nan 8.230 nan 0.000 0.431 743 F N -0.374 119.556 119.950 -0.033 0.000 2.065 743 F HA -0.231 4.299 4.527 0.004 0.000 0.298 743 F C 2.597 178.387 175.800 -0.016 0.000 1.112 743 F CA 1.593 59.555 58.000 -0.063 0.000 1.212 743 F CB -1.565 37.408 39.000 -0.045 0.000 0.975 743 F HN -0.036 nan 8.300 nan 0.000 0.476 744 V N 0.259 120.307 119.914 0.224 0.000 2.343 744 V HA -0.295 3.828 4.120 0.004 0.000 0.247 744 V C 2.462 178.624 176.094 0.114 0.000 1.051 744 V CA 2.408 64.793 62.300 0.141 0.000 1.036 744 V CB -1.383 30.512 31.823 0.120 0.000 0.654 744 V HN 0.544 nan 8.190 nan 0.000 0.451 745 T N -2.079 112.545 114.554 0.116 0.000 2.962 745 T HA -0.178 4.175 4.350 0.004 0.000 0.270 745 T C 1.666 176.449 174.700 0.138 0.000 1.088 745 T CA 1.462 63.625 62.100 0.106 0.000 1.127 745 T CB -0.174 68.742 68.868 0.080 0.000 0.883 745 T HN 0.429 nan 8.240 nan 0.000 0.493 746 E N 2.039 122.334 120.200 0.158 0.000 2.072 746 E HA 0.140 4.493 4.350 0.004 0.000 0.191 746 E C 2.350 179.037 176.600 0.146 0.000 0.985 746 E CA 1.250 57.764 56.400 0.189 0.000 0.801 746 E CB -0.849 28.919 29.700 0.113 0.000 0.750 746 E HN 0.588 nan 8.360 nan 0.000 0.452 747 A N -0.050 122.823 122.820 0.088 0.000 1.933 747 A HA -0.185 4.138 4.320 0.004 0.000 0.218 747 A C 2.400 180.025 177.584 0.067 0.000 1.175 747 A CA 2.023 54.097 52.037 0.061 0.000 0.628 747 A CB -0.976 18.048 19.000 0.040 0.000 0.814 747 A HN 0.328 nan 8.150 nan 0.000 0.444 748 S N -1.462 114.288 115.700 0.084 0.000 2.383 748 S HA -0.213 4.259 4.470 0.004 0.000 0.227 748 S C 2.027 176.674 174.600 0.079 0.000 1.026 748 S CA 1.380 59.624 58.200 0.073 0.000 0.981 748 S CB -0.659 62.586 63.200 0.076 0.000 0.818 748 S HN 0.748 nan 8.310 nan 0.000 0.472 749 H N 0.718 119.789 119.070 0.002 0.000 2.321 749 H HA -0.016 4.542 4.556 0.004 0.000 0.300 749 H C 2.268 177.556 175.328 -0.066 0.000 1.087 749 H CA 1.666 57.685 56.048 -0.048 0.000 1.319 749 H CB -0.386 29.323 29.762 -0.089 0.000 1.379 749 H HN 0.357 nan 8.280 nan 0.000 0.501 750 L N 0.868 122.069 121.223 -0.037 0.000 2.042 750 L HA -0.224 4.119 4.340 0.004 0.000 0.210 750 L C 2.946 179.764 176.870 -0.086 0.000 1.076 750 L CA 1.670 56.469 54.840 -0.068 0.000 0.749 750 L CB -0.421 41.660 42.059 0.037 0.000 0.893 750 L HN 0.316 nan 8.230 nan 0.000 0.432 751 R N -0.972 119.502 120.500 -0.043 0.000 2.096 751 R HA -0.167 4.175 4.340 0.004 0.000 0.235 751 R C 2.047 178.321 176.300 -0.042 0.000 1.127 751 R CA 2.038 58.122 56.100 -0.026 0.000 0.968 751 R CB -0.221 30.081 30.300 0.004 0.000 0.861 751 R HN 0.261 nan 8.270 nan 0.000 0.440 752 T N 1.556 116.062 114.554 -0.080 0.000 2.701 752 T HA -0.073 4.279 4.350 0.004 0.000 0.263 752 T C 1.781 176.421 174.700 -0.100 0.000 1.040 752 T CA 1.454 63.510 62.100 -0.074 0.000 1.147 752 T CB -0.148 68.668 68.868 -0.087 0.000 0.865 752 T HN 0.177 nan 8.240 nan 0.000 0.426 753 L N 0.502 121.580 121.223 -0.241 0.000 2.081 753 L HA -0.137 4.205 4.340 0.004 0.000 0.212 753 L C 2.828 179.657 176.870 -0.070 0.000 1.080 753 L CA 1.431 56.157 54.840 -0.189 0.000 0.754 753 L CB -0.543 41.343 42.059 -0.288 0.000 0.893 753 L HN 0.195 nan 8.230 nan 0.000 0.433 754 R N -0.770 119.695 120.500 -0.058 0.000 2.148 754 R HA -0.058 4.284 4.340 0.004 0.000 0.223 754 R C 2.224 178.520 176.300 -0.007 0.000 1.088 754 R CA 0.660 56.746 56.100 -0.024 0.000 0.985 754 R CB -0.197 30.090 30.300 -0.022 0.000 0.880 754 R HN 0.213 nan 8.270 nan 0.000 0.451 755 V N 1.667 121.588 119.914 0.011 0.000 2.261 755 V HA -0.240 3.882 4.120 0.004 0.000 0.246 755 V C 2.335 178.505 176.094 0.127 0.000 1.047 755 V CA 1.657 63.978 62.300 0.037 0.000 1.015 755 V CB -0.400 31.473 31.823 0.083 0.000 0.642 755 V HN 0.272 nan 8.190 nan 0.000 0.446 756 L N 0.036 121.375 121.223 0.193 0.000 2.079 756 L HA -0.241 4.101 4.340 0.004 0.000 0.210 756 L C 2.361 179.314 176.870 0.138 0.000 1.081 756 L CA 2.087 57.112 54.840 0.308 0.000 0.752 756 L CB -0.678 41.551 42.059 0.283 0.000 0.896 756 L HN 0.426 nan 8.230 nan 0.000 0.433 757 D N 0.095 120.524 120.400 0.048 0.000 2.084 757 D HA -0.198 4.445 4.640 0.004 0.000 0.196 757 D C 2.134 178.448 176.300 0.024 0.000 0.985 757 D CA 1.268 55.290 54.000 0.036 0.000 0.826 757 D CB 0.081 40.900 40.800 0.031 0.000 0.978 757 D HN 0.100 nan 8.370 nan 0.000 0.456 758 L N -0.139 121.071 121.223 -0.022 0.000 2.095 758 L HA 0.021 4.363 4.340 0.004 0.000 0.204 758 L C 2.009 178.784 176.870 -0.158 0.000 1.080 758 L CA 0.786 55.577 54.840 -0.081 0.000 0.759 758 L CB -0.023 41.975 42.059 -0.102 0.000 0.914 758 L HN 0.142 nan 8.230 nan 0.000 0.439 759 I N -1.848 118.573 120.570 -0.247 0.000 2.703 759 I HA -0.088 4.085 4.170 0.004 0.000 0.259 759 I C 1.796 177.582 176.117 -0.551 0.000 1.151 759 I CA 1.235 62.216 61.300 -0.532 0.000 1.470 759 I CB -0.850 36.665 38.000 -0.809 0.000 1.112 759 I HN 0.147 nan 8.210 nan 0.000 0.437 760 F N -0.278 119.700 119.950 0.046 0.000 2.484 760 F HA 0.025 4.554 4.527 0.004 0.000 0.268 760 F C 2.501 178.367 175.800 0.110 0.000 0.965 760 F CA 0.264 58.374 58.000 0.184 0.000 1.119 760 F CB -1.342 37.824 39.000 0.277 0.000 1.153 760 F HN -0.199 nan 8.300 nan 0.000 0.689 761 Y N 1.584 121.812 120.300 -0.122 0.000 2.114 761 Y HA -0.252 4.300 4.550 0.004 0.000 0.282 761 Y C 2.406 178.242 175.900 -0.106 0.000 1.165 761 Y CA 1.899 59.766 58.100 -0.388 0.000 1.148 761 Y CB -0.578 37.373 38.460 -0.849 0.000 0.972 761 Y HN 0.072 nan 8.280 nan 0.000 0.504 762 Q N 0.173 119.818 119.800 -0.257 0.000 2.123 762 Q HA -0.121 4.221 4.340 0.004 0.000 0.199 762 Q C 2.369 178.261 176.000 -0.181 0.000 0.966 762 Q CA 1.520 57.141 55.803 -0.304 0.000 0.845 762 Q CB -0.309 28.349 28.738 -0.133 0.000 0.907 762 Q HN 0.575 nan 8.270 nan 0.000 0.439 763 R N 0.036 120.508 120.500 -0.046 0.000 2.062 763 R HA 0.053 4.396 4.340 0.004 0.000 0.229 763 R C 2.453 178.736 176.300 -0.028 0.000 1.128 763 R CA 1.052 57.185 56.100 0.054 0.000 0.960 763 R CB -0.226 30.225 30.300 0.252 0.000 0.855 763 R HN 0.229 nan 8.270 nan 0.000 0.432 764 M N 0.629 120.206 119.600 -0.039 0.000 2.144 764 M HA -0.214 4.268 4.480 0.004 0.000 0.260 764 M C 2.403 178.618 176.300 -0.141 0.000 1.067 764 M CA 1.610 56.812 55.300 -0.163 0.000 1.095 764 M CB -0.246 32.392 32.600 0.063 0.000 1.365 764 M HN 0.056 nan 8.290 nan 0.000 0.406 765 K N 1.285 121.562 120.400 -0.205 0.000 2.007 765 K HA -0.191 4.132 4.320 0.004 0.000 0.206 765 K C 1.980 178.497 176.600 -0.139 0.000 1.047 765 K CA 1.719 57.877 56.287 -0.215 0.000 0.937 765 K CB -0.044 32.200 32.500 -0.426 0.000 0.718 765 K HN 0.231 nan 8.250 nan 0.000 0.438 766 K N 0.674 120.995 120.400 -0.131 0.000 2.288 766 K HA -0.072 4.250 4.320 0.004 0.000 0.201 766 K C 1.185 177.753 176.600 -0.054 0.000 1.048 766 K CA 1.493 57.732 56.287 -0.080 0.000 0.956 766 K CB 0.199 32.658 32.500 -0.069 0.000 0.746 766 K HN 0.132 nan 8.250 nan 0.000 0.461 767 E N 0.300 120.463 120.200 -0.062 0.000 2.481 767 E HA 0.125 4.477 4.350 0.004 0.000 0.198 767 E C -0.610 175.953 176.600 -0.063 0.000 1.027 767 E CA -0.224 56.147 56.400 -0.047 0.000 0.900 767 E CB 0.338 30.018 29.700 -0.033 0.000 0.993 767 E HN 0.299 nan 8.360 nan 0.000 0.482 768 N N 1.171 119.827 118.700 -0.074 0.000 2.727 768 N HA -0.190 4.552 4.740 0.004 0.000 0.251 768 N C 0.447 175.921 175.510 -0.061 0.000 1.040 768 N CA 0.236 53.252 53.050 -0.057 0.000 0.712 768 N CB -0.781 37.685 38.487 -0.035 0.000 0.912 768 N HN 0.254 nan 8.380 nan 0.000 0.545 769 L N -1.108 120.056 121.223 -0.099 0.000 2.217 769 L HA 0.062 4.404 4.340 0.004 0.000 0.211 769 L C 1.433 178.280 176.870 -0.038 0.000 1.107 769 L CA 1.641 56.446 54.840 -0.059 0.000 0.783 769 L CB -0.402 41.561 42.059 -0.160 0.000 0.919 769 L HN 0.524 nan 8.230 nan 0.000 0.442 770 M N -2.525 117.042 119.600 -0.056 0.000 2.664 770 M HA 0.540 5.023 4.480 0.004 0.000 0.279 770 M C -2.742 173.532 176.300 -0.043 0.000 1.275 770 M CA -1.830 53.416 55.300 -0.090 0.000 0.829 770 M CB 1.378 33.894 32.600 -0.139 0.000 1.727 770 M HN -0.356 nan 8.290 nan 0.000 0.459 771 P HA 0.179 nan 4.420 nan 0.000 0.266 771 P C 0.068 177.370 177.300 0.004 0.000 1.195 771 P CA -0.312 62.776 63.100 -0.019 0.000 0.768 771 P CB 0.459 32.145 31.700 -0.023 0.000 0.838 772 R N 2.294 122.802 120.500 0.013 0.000 2.119 772 R HA -0.193 4.150 4.340 0.004 0.000 0.246 772 R C 1.622 177.947 176.300 0.041 0.000 1.146 772 R CA 1.800 57.922 56.100 0.037 0.000 0.962 772 R CB -0.802 29.516 30.300 0.031 0.000 0.863 772 R HN 0.596 nan 8.270 nan 0.000 0.442 773 E N 0.384 120.593 120.200 0.016 0.000 2.077 773 E HA -0.151 4.201 4.350 0.004 0.000 0.193 773 E C 1.984 178.583 176.600 -0.001 0.000 0.989 773 E CA 1.297 57.699 56.400 0.002 0.000 0.800 773 E CB -0.116 29.578 29.700 -0.011 0.000 0.746 773 E HN 0.474 nan 8.360 nan 0.000 0.452 774 E N 0.098 120.298 120.200 0.001 0.000 2.072 774 E HA -0.162 4.191 4.350 0.004 0.000 0.191 774 E C 1.954 178.575 176.600 0.035 0.000 0.985 774 E CA 0.596 56.997 56.400 0.002 0.000 0.801 774 E CB -0.088 29.596 29.700 -0.027 0.000 0.750 774 E HN 0.077 nan 8.360 nan 0.000 0.452 775 L N 0.891 122.161 121.223 0.079 0.000 2.046 775 L HA -0.150 4.192 4.340 0.004 0.000 0.208 775 L C 2.182 179.179 176.870 0.212 0.000 1.077 775 L CA 1.913 56.868 54.840 0.191 0.000 0.747 775 L CB -0.555 41.639 42.059 0.225 0.000 0.896 775 L HN 0.068 nan 8.230 nan 0.000 0.432 776 A N -0.884 122.017 122.820 0.134 0.000 1.972 776 A HA -0.202 4.121 4.320 0.004 0.000 0.219 776 A C 2.407 179.996 177.584 0.009 0.000 1.169 776 A CA 1.633 53.727 52.037 0.095 0.000 0.635 776 A CB -0.515 18.516 19.000 0.052 0.000 0.810 776 A HN 0.483 nan 8.150 nan 0.000 0.446 777 R N -1.078 119.401 120.500 -0.036 0.000 2.240 777 R HA 0.208 4.551 4.340 0.004 0.000 0.203 777 R C 1.861 178.123 176.300 -0.063 0.000 1.011 777 R CA 0.401 56.437 56.100 -0.106 0.000 1.007 777 R CB -0.127 30.074 30.300 -0.165 0.000 0.911 777 R HN 0.506 nan 8.270 nan 0.000 0.468 778 L N -0.564 120.596 121.223 -0.105 0.000 2.168 778 L HA 0.122 4.465 4.340 0.004 0.000 0.203 778 L C -0.203 176.273 176.870 -0.657 0.000 1.078 778 L CA 1.154 55.774 54.840 -0.366 0.000 0.780 778 L CB 0.411 42.261 42.059 -0.348 0.000 0.939 778 L HN 0.064 nan 8.230 nan 0.000 0.451 779 F N -0.146 119.754 119.950 -0.085 0.000 2.622 779 F HA 0.345 4.874 4.527 0.004 0.000 0.338 779 F C -1.769 173.971 175.800 -0.100 0.000 1.334 779 F CA -1.728 56.194 58.000 -0.131 0.000 1.179 779 F CB 0.311 39.179 39.000 -0.221 0.000 1.471 779 F HN -0.115 nan 8.300 nan 0.000 0.576 780 P HA -0.120 nan 4.420 nan 0.000 0.216 780 P C 0.231 177.595 177.300 0.107 0.000 1.150 780 P CA 1.485 64.623 63.100 0.063 0.000 0.837 780 P CB 0.228 31.946 31.700 0.030 0.000 0.786 781 N N -2.780 116.035 118.700 0.191 0.000 2.581 781 N HA 0.031 4.773 4.740 0.004 0.000 0.274 781 N C 0.450 176.037 175.510 0.128 0.000 1.629 781 N CA -0.230 52.905 53.050 0.142 0.000 0.884 781 N CB -0.982 37.592 38.487 0.146 0.000 1.423 781 N HN -0.148 nan 8.380 nan 0.000 0.507 782 L N 0.959 122.224 121.223 0.070 0.000 2.046 782 L HA 0.215 4.558 4.340 0.004 0.000 0.208 782 L C -0.926 175.916 176.870 -0.048 0.000 1.077 782 L CA 2.082 56.918 54.840 -0.007 0.000 0.747 782 L CB -1.063 40.913 42.059 -0.139 0.000 0.896 782 L HN 0.097 nan 8.230 nan 0.000 0.432 783 P HA -0.147 nan 4.420 nan 0.000 0.216 783 P C 1.194 178.500 177.300 0.011 0.000 1.150 783 P CA 1.394 64.499 63.100 0.009 0.000 0.837 783 P CB 0.094 31.816 31.700 0.037 0.000 0.786 784 E N -1.058 119.150 120.200 0.014 0.000 2.107 784 E HA -0.097 4.255 4.350 0.004 0.000 0.191 784 E C 1.837 178.441 176.600 0.006 0.000 0.982 784 E CA 0.503 56.910 56.400 0.012 0.000 0.809 784 E CB -1.019 28.694 29.700 0.020 0.000 0.756 784 E HN 0.074 nan 8.360 nan 0.000 0.459 785 L N 0.582 121.799 121.223 -0.009 0.000 2.017 785 L HA -0.123 4.219 4.340 0.004 0.000 0.208 785 L C 1.932 178.847 176.870 0.074 0.000 1.073 785 L CA 1.516 56.348 54.840 -0.014 0.000 0.745 785 L CB -0.267 41.659 42.059 -0.222 0.000 0.894 785 L HN 0.162 nan 8.230 nan 0.000 0.432 786 I N -0.652 119.931 120.570 0.020 0.000 2.208 786 I HA -0.294 3.879 4.170 0.004 0.000 0.245 786 I C 2.467 178.636 176.117 0.087 0.000 1.097 786 I CA 1.572 62.903 61.300 0.051 0.000 1.363 786 I CB -0.238 37.766 38.000 0.008 0.000 1.051 786 I HN 0.351 nan 8.210 nan 0.000 0.413 787 E N 1.382 121.610 120.200 0.047 0.000 2.106 787 E HA -0.179 4.174 4.350 0.004 0.000 0.192 787 E C 2.156 178.768 176.600 0.021 0.000 0.984 787 E CA 1.207 57.627 56.400 0.033 0.000 0.806 787 E CB -0.142 29.565 29.700 0.013 0.000 0.750 787 E HN 0.322 nan 8.360 nan 0.000 0.458 788 I N 0.971 121.535 120.570 -0.010 0.000 2.264 788 I HA -0.281 3.891 4.170 0.004 0.000 0.248 788 I C 1.963 178.001 176.117 -0.132 0.000 1.111 788 I CA 1.602 62.835 61.300 -0.111 0.000 1.382 788 I CB -0.732 37.166 38.000 -0.170 0.000 1.060 788 I HN 0.380 nan 8.210 nan 0.000 0.418 789 H N -0.925 118.205 119.070 0.100 0.000 2.431 789 H HA -0.024 4.534 4.556 0.004 0.000 0.295 789 H C 1.926 177.351 175.328 0.162 0.000 1.038 789 H CA 1.002 57.172 56.048 0.203 0.000 1.360 789 H CB -0.144 29.775 29.762 0.263 0.000 1.433 789 H HN 0.320 nan 8.280 nan 0.000 0.536 790 N N 1.256 120.074 118.700 0.197 0.000 2.120 790 N HA -0.160 4.582 4.740 0.004 0.000 0.188 790 N C 2.114 177.669 175.510 0.075 0.000 1.024 790 N CA 1.976 55.091 53.050 0.109 0.000 0.852 790 N CB 0.033 38.560 38.487 0.067 0.000 1.003 790 N HN 0.217 nan 8.380 nan 0.000 0.424 791 S N -1.468 114.274 115.700 0.071 0.000 2.387 791 S HA -0.119 4.354 4.470 0.004 0.000 0.226 791 S C 1.904 176.563 174.600 0.099 0.000 1.026 791 S CA 0.626 58.856 58.200 0.051 0.000 0.972 791 S CB -0.992 62.222 63.200 0.022 0.000 0.814 791 S HN 0.544 nan 8.310 nan 0.000 0.477 792 W N 1.715 122.953 121.300 -0.103 0.000 2.358 792 W HA -0.015 4.648 4.660 0.004 0.000 0.303 792 W C 2.691 179.147 176.519 -0.105 0.000 1.208 792 W CA -0.166 57.099 57.345 -0.133 0.000 1.274 792 W CB -1.187 28.160 29.460 -0.189 0.000 1.138 792 W HN 0.395 nan 8.180 nan 0.000 0.515 793 C N 0.692 119.979 119.300 -0.023 0.000 2.413 793 C HA -0.175 4.288 4.460 0.004 0.000 0.276 793 C C 2.702 177.579 174.990 -0.187 0.000 1.248 793 C CA 1.583 60.504 59.018 -0.162 0.000 1.742 793 C CB -1.126 26.597 27.740 -0.029 0.000 2.017 793 C HN 0.256 nan 8.230 nan 0.000 0.481 794 E N 0.396 120.539 120.200 -0.096 0.000 2.106 794 E HA -0.108 4.244 4.350 0.004 0.000 0.192 794 E C 2.337 178.860 176.600 -0.128 0.000 0.984 794 E CA 1.371 57.715 56.400 -0.093 0.000 0.806 794 E CB -0.531 29.143 29.700 -0.043 0.000 0.750 794 E HN 0.723 nan 8.360 nan 0.000 0.458 795 A N 0.776 123.520 122.820 -0.126 0.000 1.969 795 A HA -0.135 4.188 4.320 0.004 0.000 0.218 795 A C 2.255 179.687 177.584 -0.253 0.000 1.169 795 A CA 1.250 53.211 52.037 -0.127 0.000 0.635 795 A CB -0.425 18.551 19.000 -0.040 0.000 0.810 795 A HN 0.159 nan 8.150 nan 0.000 0.445 796 M N -0.903 118.424 119.600 -0.455 0.000 2.086 796 M HA -0.176 4.306 4.480 0.004 0.000 0.261 796 M C 2.274 178.204 176.300 -0.616 0.000 1.067 796 M CA 2.175 56.981 55.300 -0.824 0.000 1.116 796 M CB -0.295 31.601 32.600 -1.172 0.000 1.348 796 M HN 0.448 nan 8.290 nan 0.000 0.407 797 K N 0.691 120.866 120.400 -0.375 0.000 2.063 797 K HA -0.193 4.130 4.320 0.004 0.000 0.208 797 K C 1.920 178.439 176.600 -0.135 0.000 1.048 797 K CA 1.565 57.726 56.287 -0.211 0.000 0.928 797 K CB -0.066 32.352 32.500 -0.137 0.000 0.713 797 K HN 0.092 nan 8.250 nan 0.000 0.442 798 K N -0.139 120.185 120.400 -0.126 0.000 2.097 798 K HA -0.126 4.196 4.320 0.004 0.000 0.206 798 K C 1.946 178.519 176.600 -0.045 0.000 1.049 798 K CA 1.107 57.353 56.287 -0.069 0.000 0.933 798 K CB -0.070 32.397 32.500 -0.056 0.000 0.717 798 K HN 0.090 nan 8.250 nan 0.000 0.442 799 L N 1.118 122.303 121.223 -0.064 0.000 2.056 799 L HA -0.077 4.265 4.340 0.004 0.000 0.207 799 L C 2.257 179.163 176.870 0.061 0.000 1.078 799 L CA 1.529 56.374 54.840 0.009 0.000 0.749 799 L CB -0.386 41.700 42.059 0.044 0.000 0.901 799 L HN 0.072 nan 8.230 nan 0.000 0.433 800 R N -0.650 119.877 120.500 0.045 0.000 2.127 800 R HA -0.194 4.149 4.340 0.004 0.000 0.238 800 R C 2.128 178.471 176.300 0.071 0.000 1.134 800 R CA 1.508 57.674 56.100 0.111 0.000 0.975 800 R CB -0.038 30.317 30.300 0.092 0.000 0.865 800 R HN 0.454 nan 8.270 nan 0.000 0.447 801 E N 0.033 120.250 120.200 0.029 0.000 2.110 801 E HA -0.226 4.126 4.350 0.004 0.000 0.193 801 E C 1.507 178.125 176.600 0.031 0.000 0.988 801 E CA 1.571 57.984 56.400 0.021 0.000 0.804 801 E CB 0.074 29.776 29.700 0.003 0.000 0.745 801 E HN 0.513 nan 8.360 nan 0.000 0.458 802 E N -0.292 119.930 120.200 0.037 0.000 2.511 802 E HA 0.052 4.404 4.350 0.004 0.000 0.196 802 E C 0.349 176.978 176.600 0.049 0.000 1.066 802 E CA 0.478 56.900 56.400 0.037 0.000 0.871 802 E CB 0.419 30.139 29.700 0.034 0.000 0.863 802 E HN 0.119 nan 8.360 nan 0.000 0.520 803 G N 1.266 110.106 108.800 0.066 0.000 2.322 803 G HA2 0.005 3.968 3.960 0.004 0.000 0.289 803 G HA3 0.005 3.968 3.960 0.004 0.000 0.289 803 G C -2.545 172.427 174.900 0.120 0.000 1.687 803 G CA -0.522 44.624 45.100 0.077 0.000 0.944 803 G HN -0.131 nan 8.290 nan 0.000 0.718 804 P HA 0.019 nan 4.420 nan 0.000 0.222 804 P C 0.842 178.367 177.300 0.374 0.000 1.147 804 P CA 0.714 63.936 63.100 0.203 0.000 0.790 804 P CB 0.266 32.015 31.700 0.082 0.000 0.780 805 I N 0.619 121.356 120.570 0.277 0.000 2.301 805 I HA 0.142 4.314 4.170 0.004 0.000 0.292 805 I C 0.506 176.690 176.117 0.110 0.000 1.046 805 I CA -1.030 60.408 61.300 0.230 0.000 1.282 805 I CB 0.467 38.567 38.000 0.166 0.000 1.409 805 I HN -0.276 nan 8.210 nan 0.000 0.484 806 I N 7.739 128.336 120.570 0.045 0.000 2.471 806 I HA 0.055 4.228 4.170 0.004 0.000 0.286 806 I C 0.883 176.994 176.117 -0.009 0.000 1.079 806 I CA 0.451 61.767 61.300 0.027 0.000 1.398 806 I CB 0.473 38.462 38.000 -0.018 0.000 1.403 806 I HN 0.522 nan 8.210 nan 0.000 0.530 807 K N 4.011 124.424 120.400 0.022 0.000 3.554 807 K HA 0.247 4.569 4.320 0.004 0.000 0.183 807 K C -0.073 176.533 176.600 0.011 0.000 1.147 807 K CA -0.129 56.166 56.287 0.013 0.000 1.595 807 K CB -0.005 32.511 32.500 0.026 0.000 2.206 807 K HN 0.478 nan 8.250 nan 0.000 0.543 808 E N 0.780 120.994 120.200 0.025 0.000 2.384 808 E HA 0.024 4.376 4.350 0.004 0.000 0.266 808 E C 0.252 176.881 176.600 0.047 0.000 1.012 808 E CA 0.297 56.715 56.400 0.030 0.000 0.901 808 E CB 0.758 30.477 29.700 0.033 0.000 0.967 808 E HN 0.321 nan 8.360 nan 0.000 0.435 809 I N 1.754 122.354 120.570 0.050 0.000 4.557 809 I HA -0.125 4.048 4.170 0.004 0.000 0.333 809 I C 1.765 177.944 176.117 0.104 0.000 1.332 809 I CA 0.317 61.668 61.300 0.085 0.000 1.240 809 I CB 0.378 38.419 38.000 0.069 0.000 1.312 809 I HN 0.463 nan 8.210 nan 0.000 0.457 810 S N -0.170 115.574 115.700 0.073 0.000 2.399 810 S HA -0.168 4.304 4.470 0.004 0.000 0.231 810 S C 1.422 176.071 174.600 0.081 0.000 1.022 810 S CA 1.277 59.522 58.200 0.074 0.000 0.983 810 S CB -0.278 62.948 63.200 0.044 0.000 0.803 810 S HN 0.359 nan 8.310 nan 0.000 0.480 811 D N 1.598 122.041 120.400 0.072 0.000 2.097 811 D HA 0.022 4.664 4.640 0.004 0.000 0.197 811 D C 1.962 178.311 176.300 0.082 0.000 0.984 811 D CA 0.709 54.745 54.000 0.059 0.000 0.826 811 D CB -0.485 40.343 40.800 0.047 0.000 0.973 811 D HN 0.288 nan 8.370 nan 0.000 0.460 812 L N 0.301 121.601 121.223 0.128 0.000 2.012 812 L HA -0.187 4.155 4.340 0.004 0.000 0.210 812 L C 2.156 179.213 176.870 0.312 0.000 1.073 812 L CA 1.073 56.041 54.840 0.213 0.000 0.748 812 L CB -0.151 42.032 42.059 0.208 0.000 0.891 812 L HN 0.062 nan 8.230 nan 0.000 0.431 813 M N -0.460 119.311 119.600 0.285 0.000 2.067 813 M HA -0.232 4.250 4.480 0.004 0.000 0.260 813 M C 2.323 178.670 176.300 0.079 0.000 1.069 813 M CA 1.721 57.199 55.300 0.297 0.000 1.117 813 M CB -1.389 31.407 32.600 0.326 0.000 1.334 813 M HN 0.250 nan 8.290 nan 0.000 0.407 814 L N -0.025 121.233 121.223 0.058 0.000 2.191 814 L HA -0.122 4.221 4.340 0.004 0.000 0.212 814 L C 2.475 179.280 176.870 -0.108 0.000 1.103 814 L CA 0.823 55.658 54.840 -0.009 0.000 0.769 814 L CB -0.910 41.153 42.059 0.006 0.000 0.908 814 L HN 0.279 nan 8.230 nan 0.000 0.438 815 A N -0.801 121.952 122.820 -0.112 0.000 2.239 815 A HA -0.097 4.226 4.320 0.004 0.000 0.209 815 A C 2.312 179.662 177.584 -0.391 0.000 1.171 815 A CA 0.960 52.900 52.037 -0.162 0.000 0.768 815 A CB -0.219 18.751 19.000 -0.049 0.000 0.790 815 A HN 0.218 nan 8.150 nan 0.000 0.478 816 R N -2.164 117.913 120.500 -0.704 0.000 2.350 816 R HA 0.290 4.633 4.340 0.004 0.000 0.199 816 R C 0.173 175.833 176.300 -1.067 0.000 0.876 816 R CA 0.600 55.926 56.100 -1.290 0.000 1.062 816 R CB -0.233 28.413 30.300 -2.756 0.000 1.263 816 R HN 0.392 nan 8.270 nan 0.000 0.641 817 F N -0.292 119.396 119.950 -0.435 0.000 2.682 817 F HA 0.374 4.904 4.527 0.005 0.000 0.308 817 F C -0.056 175.617 175.800 -0.212 0.000 1.093 817 F CA -0.916 56.883 58.000 -0.335 0.000 1.244 817 F CB 0.411 39.223 39.000 -0.312 0.000 1.052 817 F HN -0.120 nan 8.300 nan 0.000 0.573 818 D N -1.099 119.264 120.400 -0.061 0.000 2.433 818 D HA 0.529 5.172 4.640 0.004 0.000 0.236 818 D C 0.685 176.938 176.300 -0.079 0.000 1.026 818 D CA 0.553 54.524 54.000 -0.048 0.000 0.884 818 D CB 1.592 42.376 40.800 -0.026 0.000 1.384 818 D HN 0.199 nan 8.370 nan 0.000 0.477 819 G N 2.543 111.306 108.800 -0.061 0.000 2.614 819 G HA2 -0.293 3.670 3.960 0.004 0.000 0.303 819 G HA3 -0.293 3.670 3.960 0.004 0.000 0.303 819 G C -1.336 173.515 174.900 -0.082 0.000 1.270 819 G CA 0.208 45.271 45.100 -0.063 0.000 0.988 819 G HN 0.572 nan 8.290 nan 0.000 0.551 820 P HA -0.044 nan 4.420 nan 0.000 0.216 820 P C 2.295 179.522 177.300 -0.121 0.000 1.153 820 P CA 3.273 66.321 63.100 -0.088 0.000 0.858 820 P CB -0.425 31.231 31.700 -0.073 0.000 0.789 821 A N 0.117 122.851 122.820 -0.145 0.000 1.917 821 A HA -0.273 4.050 4.320 0.004 0.000 0.219 821 A C 2.434 179.881 177.584 -0.229 0.000 1.182 821 A CA 2.185 54.097 52.037 -0.209 0.000 0.633 821 A CB -1.289 17.553 19.000 -0.263 0.000 0.819 821 A HN 0.125 nan 8.150 nan 0.000 0.448 822 R N -0.450 119.941 120.500 -0.181 0.000 2.073 822 R HA -0.169 4.173 4.340 0.004 0.000 0.234 822 R C 1.886 178.078 176.300 -0.180 0.000 1.134 822 R CA 1.780 57.788 56.100 -0.154 0.000 0.952 822 R CB -0.323 29.917 30.300 -0.100 0.000 0.850 822 R HN 0.464 nan 8.270 nan 0.000 0.433 823 E N 0.816 120.917 120.200 -0.165 0.000 2.058 823 E HA -0.253 4.100 4.350 0.004 0.000 0.194 823 E C 1.819 178.307 176.600 -0.186 0.000 0.997 823 E CA 1.541 57.831 56.400 -0.183 0.000 0.801 823 E CB -0.300 29.325 29.700 -0.124 0.000 0.746 823 E HN 0.573 nan 8.360 nan 0.000 0.450 824 E N 0.534 120.643 120.200 -0.150 0.000 2.023 824 E HA -0.211 4.141 4.350 0.004 0.000 0.196 824 E C 2.225 178.741 176.600 -0.141 0.000 1.003 824 E CA 1.071 57.393 56.400 -0.130 0.000 0.809 824 E CB -0.121 29.503 29.700 -0.127 0.000 0.755 824 E HN 0.083 nan 8.360 nan 0.000 0.449 825 L N 1.560 122.676 121.223 -0.177 0.000 2.012 825 L HA -0.255 4.088 4.340 0.004 0.000 0.210 825 L C 2.565 179.367 176.870 -0.113 0.000 1.073 825 L CA 2.447 57.189 54.840 -0.164 0.000 0.748 825 L CB -0.859 41.068 42.059 -0.219 0.000 0.891 825 L HN 0.333 nan 8.230 nan 0.000 0.431 826 Q N -1.571 118.118 119.800 -0.185 0.000 2.119 826 Q HA -0.242 4.101 4.340 0.004 0.000 0.201 826 Q C 2.117 178.003 176.000 -0.190 0.000 0.972 826 Q CA 1.564 57.219 55.803 -0.245 0.000 0.847 826 Q CB -0.608 27.789 28.738 -0.569 0.000 0.903 826 Q HN 0.671 nan 8.270 nan 0.000 0.433 827 Q N 0.556 120.240 119.800 -0.192 0.000 2.020 827 Q HA -0.135 4.208 4.340 0.004 0.000 0.202 827 Q C 2.312 178.346 176.000 0.057 0.000 0.982 827 Q CA 2.049 57.834 55.803 -0.031 0.000 0.838 827 Q CB 0.013 28.725 28.738 -0.042 0.000 0.899 827 Q HN 0.318 nan 8.270 nan 0.000 0.423 828 V N 0.682 120.610 119.914 0.024 0.000 2.295 828 V HA -0.283 3.839 4.120 0.004 0.000 0.246 828 V C 2.244 178.416 176.094 0.129 0.000 1.049 828 V CA 1.871 64.209 62.300 0.063 0.000 1.024 828 V CB -1.000 30.833 31.823 0.016 0.000 0.648 828 V HN 0.432 nan 8.190 nan 0.000 0.447 829 A N -0.131 122.760 122.820 0.118 0.000 1.933 829 A HA -0.101 4.222 4.320 0.004 0.000 0.218 829 A C 2.387 180.111 177.584 0.232 0.000 1.175 829 A CA 2.079 54.227 52.037 0.186 0.000 0.628 829 A CB -0.703 18.395 19.000 0.163 0.000 0.814 829 A HN 0.576 nan 8.150 nan 0.000 0.444 830 A N -1.021 121.930 122.820 0.220 0.000 1.930 830 A HA -0.167 4.156 4.320 0.004 0.000 0.217 830 A C 2.179 179.874 177.584 0.185 0.000 1.175 830 A CA 1.643 53.818 52.037 0.230 0.000 0.627 830 A CB -0.515 18.695 19.000 0.350 0.000 0.815 830 A HN 0.643 nan 8.150 nan 0.000 0.443 831 Q N -1.697 118.213 119.800 0.182 0.000 2.050 831 Q HA -0.187 4.156 4.340 0.004 0.000 0.202 831 Q C 1.859 177.957 176.000 0.164 0.000 0.980 831 Q CA 1.773 57.662 55.803 0.144 0.000 0.840 831 Q CB -0.248 28.567 28.738 0.127 0.000 0.898 831 Q HN 0.637 nan 8.270 nan 0.000 0.424 832 F N -0.110 119.881 119.950 0.068 0.000 2.134 832 F HA -0.242 4.287 4.527 0.004 0.000 0.299 832 F C 2.023 177.854 175.800 0.053 0.000 1.097 832 F CA 1.381 59.418 58.000 0.062 0.000 1.264 832 F CB -0.142 38.908 39.000 0.085 0.000 1.001 832 F HN 0.216 nan 8.300 nan 0.000 0.479 833 C N -0.797 118.608 119.300 0.176 0.000 2.518 833 C HA -0.006 4.456 4.460 0.004 0.000 0.283 833 C C 3.059 178.061 174.990 0.020 0.000 1.351 833 C CA 0.774 59.841 59.018 0.082 0.000 1.745 833 C CB -1.026 26.809 27.740 0.158 0.000 2.107 833 C HN 0.624 nan 8.230 nan 0.000 0.502 834 S N 0.683 116.417 115.700 0.057 0.000 2.389 834 S HA -0.325 4.147 4.470 0.004 0.000 0.231 834 S C 1.528 176.151 174.600 0.038 0.000 1.052 834 S CA 2.101 60.329 58.200 0.046 0.000 1.053 834 S CB -0.819 62.419 63.200 0.063 0.000 0.886 834 S HN 0.706 nan 8.310 nan 0.000 0.456 835 Y N 1.305 121.533 120.300 -0.121 0.000 2.457 835 Y HA 0.362 4.915 4.550 0.004 0.000 0.263 835 Y C 2.423 178.201 175.900 -0.202 0.000 1.164 835 Y CA -0.232 57.772 58.100 -0.161 0.000 1.274 835 Y CB -0.201 38.166 38.460 -0.156 0.000 1.097 835 Y HN 0.331 nan 8.280 nan 0.000 0.523 836 Q N -0.045 119.649 119.800 -0.177 0.000 2.096 836 Q HA -0.229 4.113 4.340 0.004 0.000 0.204 836 Q C 2.438 178.277 176.000 -0.267 0.000 0.982 836 Q CA 2.501 58.159 55.803 -0.243 0.000 0.850 836 Q CB -0.076 28.535 28.738 -0.211 0.000 0.901 836 Q HN 0.577 nan 8.270 nan 0.000 0.422 837 S N 0.136 115.687 115.700 -0.248 0.000 2.383 837 S HA -0.166 4.307 4.470 0.004 0.000 0.229 837 S C 1.884 176.298 174.600 -0.310 0.000 1.030 837 S CA 1.237 59.299 58.200 -0.229 0.000 1.002 837 S CB -0.497 62.596 63.200 -0.179 0.000 0.829 837 S HN 0.377 nan 8.310 nan 0.000 0.467 838 I N 2.948 123.209 120.570 -0.516 0.000 2.202 838 I HA -0.056 4.117 4.170 0.004 0.000 0.242 838 I C 3.121 178.945 176.117 -0.488 0.000 1.091 838 I CA 1.323 62.213 61.300 -0.683 0.000 1.368 838 I CB -2.116 35.053 38.000 -1.386 0.000 1.058 838 I HN 0.437 nan 8.210 nan 0.000 0.410 839 A N 1.377 123.925 122.820 -0.453 0.000 1.902 839 A HA -0.139 4.184 4.320 0.004 0.000 0.217 839 A C 2.416 179.895 177.584 -0.175 0.000 1.181 839 A CA 1.307 53.214 52.037 -0.216 0.000 0.623 839 A CB -0.908 17.998 19.000 -0.157 0.000 0.818 839 A HN 0.412 nan 8.150 nan 0.000 0.443 840 L N -0.832 120.276 121.223 -0.191 0.000 2.131 840 L HA -0.154 4.188 4.340 0.004 0.000 0.210 840 L C 2.658 179.475 176.870 -0.090 0.000 1.092 840 L CA 1.146 55.909 54.840 -0.128 0.000 0.759 840 L CB -0.440 41.543 42.059 -0.126 0.000 0.903 840 L HN 0.317 nan 8.230 nan 0.000 0.435 841 E N 0.183 120.313 120.200 -0.117 0.000 2.072 841 E HA -0.173 4.179 4.350 0.004 0.000 0.191 841 E C 2.243 178.809 176.600 -0.056 0.000 0.985 841 E CA 0.905 57.258 56.400 -0.080 0.000 0.801 841 E CB -0.139 29.504 29.700 -0.096 0.000 0.750 841 E HN 0.232 nan 8.360 nan 0.000 0.452 842 L N 0.734 121.911 121.223 -0.077 0.000 2.042 842 L HA -0.192 4.151 4.340 0.004 0.000 0.210 842 L C 2.241 179.082 176.870 -0.047 0.000 1.076 842 L CA 1.221 56.024 54.840 -0.060 0.000 0.749 842 L CB -0.830 41.188 42.059 -0.068 0.000 0.893 842 L HN 0.167 nan 8.230 nan 0.000 0.432 843 I N -0.214 120.347 120.570 -0.016 0.000 2.394 843 I HA -0.239 3.934 4.170 0.004 0.000 0.251 843 I C 2.476 178.687 176.117 0.157 0.000 1.136 843 I CA 0.996 62.351 61.300 0.093 0.000 1.425 843 I CB -0.860 37.232 38.000 0.154 0.000 1.079 843 I HN 0.216 nan 8.210 nan 0.000 0.425 844 K N 0.068 120.513 120.400 0.076 0.000 2.009 844 K HA -0.175 4.148 4.320 0.004 0.000 0.210 844 K C 2.095 178.738 176.600 0.071 0.000 1.049 844 K CA 2.129 58.459 56.287 0.071 0.000 0.929 844 K CB -0.142 32.374 32.500 0.027 0.000 0.714 844 K HN 0.239 nan 8.250 nan 0.000 0.440 845 T N 0.823 115.398 114.554 0.034 0.000 2.652 845 T HA -0.191 4.162 4.350 0.004 0.000 0.267 845 T C 1.731 176.450 174.700 0.032 0.000 1.039 845 T CA 1.578 63.691 62.100 0.022 0.000 1.153 845 T CB -0.161 68.706 68.868 -0.003 0.000 0.863 845 T HN 0.276 nan 8.240 nan 0.000 0.428 846 K N 0.719 121.119 120.400 0.000 0.000 2.009 846 K HA -0.202 4.121 4.320 0.004 0.000 0.210 846 K C 2.525 179.232 176.600 0.179 0.000 1.049 846 K CA 1.610 57.868 56.287 -0.048 0.000 0.929 846 K CB -0.188 32.078 32.500 -0.390 0.000 0.714 846 K HN 0.329 nan 8.250 nan 0.000 0.440 847 Q N -0.093 119.930 119.800 0.371 0.000 2.173 847 Q HA -0.232 4.110 4.340 0.004 0.000 0.208 847 Q C 2.157 178.273 176.000 0.193 0.000 0.989 847 Q CA 1.948 57.971 55.803 0.366 0.000 0.872 847 Q CB -0.057 28.837 28.738 0.261 0.000 0.909 847 Q HN 0.263 nan 8.270 nan 0.000 0.420 848 R N 0.004 120.582 120.500 0.131 0.000 2.161 848 R HA -0.054 4.288 4.340 0.004 0.000 0.213 848 R C 1.329 177.673 176.300 0.072 0.000 1.055 848 R CA 1.111 57.261 56.100 0.084 0.000 0.996 848 R CB 0.260 30.595 30.300 0.059 0.000 0.901 848 R HN -0.035 nan 8.270 nan 0.000 0.456 849 K N -0.481 119.962 120.400 0.072 0.000 2.360 849 K HA 0.138 4.460 4.320 0.004 0.000 0.196 849 K C -0.565 176.071 176.600 0.059 0.000 1.049 849 K CA 0.258 56.574 56.287 0.050 0.000 1.049 849 K CB 0.950 33.465 32.500 0.026 0.000 0.881 849 K HN 0.076 nan 8.250 nan 0.000 0.542 850 E N 0.046 120.304 120.200 0.097 0.000 2.279 850 E HA 0.041 4.393 4.350 0.004 0.000 0.252 850 E C -0.020 176.674 176.600 0.158 0.000 0.894 850 E CA -0.203 56.264 56.400 0.111 0.000 0.785 850 E CB 1.777 31.540 29.700 0.105 0.000 1.237 850 E HN 0.068 nan 8.360 nan 0.000 0.418 851 S N 3.455 119.224 115.700 0.115 0.000 2.406 851 S HA -0.190 4.283 4.470 0.004 0.000 0.228 851 S C 1.847 176.523 174.600 0.127 0.000 1.020 851 S CA 0.711 58.976 58.200 0.108 0.000 0.965 851 S CB 0.048 63.292 63.200 0.074 0.000 0.798 851 S HN 0.512 nan 8.310 nan 0.000 0.488 852 R N -0.504 120.080 120.500 0.140 0.000 2.115 852 R HA -0.035 4.307 4.340 0.004 0.000 0.230 852 R C 2.027 178.458 176.300 0.219 0.000 1.111 852 R CA 1.325 57.515 56.100 0.150 0.000 0.976 852 R CB -0.448 29.927 30.300 0.125 0.000 0.870 852 R HN 0.504 nan 8.270 nan 0.000 0.445 853 F N 1.693 121.699 119.950 0.093 0.000 2.187 853 F HA -0.090 4.439 4.527 0.004 0.000 0.295 853 F C 2.580 178.492 175.800 0.187 0.000 1.091 853 F CA 1.653 59.729 58.000 0.126 0.000 1.308 853 F CB -0.342 38.701 39.000 0.072 0.000 1.030 853 F HN 0.067 nan 8.300 nan 0.000 0.487 854 Q N 0.477 120.372 119.800 0.158 0.000 2.061 854 Q HA -0.223 4.120 4.340 0.004 0.000 0.204 854 Q C 2.276 178.287 176.000 0.019 0.000 0.984 854 Q CA 2.267 58.109 55.803 0.064 0.000 0.846 854 Q CB -0.422 28.378 28.738 0.104 0.000 0.902 854 Q HN 0.541 nan 8.270 nan 0.000 0.421 855 L N -0.010 121.247 121.223 0.056 0.000 2.042 855 L HA -0.197 4.146 4.340 0.004 0.000 0.210 855 L C 2.473 179.356 176.870 0.023 0.000 1.076 855 L CA 1.490 56.354 54.840 0.041 0.000 0.749 855 L CB -0.534 41.563 42.059 0.063 0.000 0.893 855 L HN 0.332 nan 8.230 nan 0.000 0.432 856 F N -0.098 119.794 119.950 -0.097 0.000 2.134 856 F HA -0.266 4.263 4.527 0.004 0.000 0.299 856 F C 2.507 178.222 175.800 -0.141 0.000 1.097 856 F CA 1.507 59.438 58.000 -0.116 0.000 1.264 856 F CB -0.079 38.848 39.000 -0.123 0.000 1.001 856 F HN -0.048 nan 8.300 nan 0.000 0.479 857 M N 0.802 120.338 119.600 -0.106 0.000 2.117 857 M HA -0.204 4.279 4.480 0.004 0.000 0.262 857 M C 2.262 178.507 176.300 -0.091 0.000 1.065 857 M CA 1.890 57.127 55.300 -0.106 0.000 1.114 857 M CB -1.442 31.078 32.600 -0.133 0.000 1.361 857 M HN 0.470 nan 8.290 nan 0.000 0.408 858 Q N -0.564 119.188 119.800 -0.079 0.000 2.172 858 Q HA -0.129 4.214 4.340 0.004 0.000 0.200 858 Q C 1.757 177.699 176.000 -0.096 0.000 0.964 858 Q CA 1.210 56.981 55.803 -0.053 0.000 0.855 858 Q CB -0.486 28.238 28.738 -0.023 0.000 0.918 858 Q HN 0.564 nan 8.270 nan 0.000 0.444 859 E N 1.183 121.286 120.200 -0.162 0.000 2.051 859 E HA -0.197 4.156 4.350 0.004 0.000 0.192 859 E C 1.978 178.420 176.600 -0.265 0.000 0.991 859 E CA 1.245 57.526 56.400 -0.198 0.000 0.799 859 E CB -0.110 29.456 29.700 -0.224 0.000 0.748 859 E HN 0.485 nan 8.360 nan 0.000 0.449 860 A N 0.972 123.527 122.820 -0.443 0.000 1.873 860 A HA -0.177 4.146 4.320 0.004 0.000 0.215 860 A C 1.872 179.293 177.584 -0.272 0.000 1.186 860 A CA 1.458 53.171 52.037 -0.541 0.000 0.616 860 A CB -0.488 17.972 19.000 -0.899 0.000 0.823 860 A HN 0.259 nan 8.150 nan 0.000 0.442 861 E N 0.419 120.589 120.200 -0.049 0.000 2.401 861 E HA -0.116 4.237 4.350 0.004 0.000 0.199 861 E C 1.835 178.462 176.600 0.044 0.000 1.023 861 E CA 1.011 57.474 56.400 0.104 0.000 0.859 861 E CB -0.126 29.656 29.700 0.138 0.000 0.780 861 E HN 0.763 nan 8.360 nan 0.000 0.523 862 S N -0.665 115.028 115.700 -0.011 0.000 2.593 862 S HA -0.063 4.410 4.470 0.004 0.000 0.217 862 S C 0.415 175.008 174.600 -0.011 0.000 0.966 862 S CA -0.252 57.940 58.200 -0.014 0.000 0.914 862 S CB -0.188 62.989 63.200 -0.039 0.000 0.776 862 S HN 0.261 nan 8.310 nan 0.000 0.523 863 H N 2.705 121.718 119.070 -0.095 0.000 2.803 863 H HA 0.286 4.845 4.556 0.004 0.000 0.330 863 H C -1.680 173.617 175.328 -0.050 0.000 1.057 863 H CA -1.269 54.722 56.048 -0.094 0.000 1.458 863 H CB 0.958 30.629 29.762 -0.151 0.000 1.470 863 H HN -0.010 nan 8.280 nan 0.000 0.560 864 P HA -0.212 nan 4.420 nan 0.000 0.217 864 P C 0.861 178.202 177.300 0.067 0.000 1.151 864 P CA 1.514 64.562 63.100 -0.087 0.000 0.849 864 P CB 0.207 31.802 31.700 -0.176 0.000 0.787 865 Q N -1.872 118.084 119.800 0.259 0.000 2.437 865 Q HA -0.099 4.244 4.340 0.004 0.000 0.210 865 Q C 1.628 177.718 176.000 0.150 0.000 0.972 865 Q CA 0.846 56.775 55.803 0.209 0.000 0.903 865 Q CB -0.586 28.284 28.738 0.220 0.000 0.967 865 Q HN 0.278 nan 8.270 nan 0.000 0.486 866 C N -0.077 119.319 119.300 0.161 0.000 2.539 866 C HA 0.115 4.578 4.460 0.004 0.000 0.268 866 C C 0.553 175.609 174.990 0.111 0.000 1.395 866 C CA -0.194 58.919 59.018 0.158 0.000 1.757 866 C CB -0.848 27.010 27.740 0.196 0.000 1.851 866 C HN 0.549 nan 8.230 nan 0.000 0.545 867 R N 0.092 120.642 120.500 0.083 0.000 3.422 867 R HA -0.222 4.120 4.340 0.004 0.000 0.267 867 R C 0.386 176.716 176.300 0.051 0.000 1.074 867 R CA 0.431 56.566 56.100 0.057 0.000 0.718 867 R CB -1.960 28.373 30.300 0.055 0.000 1.157 867 R HN 0.655 nan 8.270 nan 0.000 0.440 868 R N -2.308 118.223 120.500 0.051 0.000 3.875 868 R HA -0.222 4.120 4.340 0.004 0.000 0.321 868 R C -0.098 176.233 176.300 0.051 0.000 1.196 868 R CA 1.441 57.568 56.100 0.043 0.000 0.868 868 R CB -1.493 28.824 30.300 0.028 0.000 1.333 868 R HN 0.391 nan 8.270 nan 0.000 0.522 869 L N 0.311 121.576 121.223 0.069 0.000 2.332 869 L HA 0.377 4.719 4.340 0.004 0.000 0.269 869 L C 0.765 177.687 176.870 0.087 0.000 1.016 869 L CA -0.809 54.071 54.840 0.066 0.000 0.809 869 L CB 1.427 43.523 42.059 0.062 0.000 1.280 869 L HN 0.038 nan 8.230 nan 0.000 0.447 870 Q N 0.249 120.082 119.800 0.055 0.000 2.204 870 Q HA 0.270 4.613 4.340 0.004 0.000 0.254 870 Q C 0.877 176.851 176.000 -0.043 0.000 0.981 870 Q CA -0.647 55.181 55.803 0.043 0.000 0.897 870 Q CB 2.130 30.880 28.738 0.020 0.000 1.273 870 Q HN 0.561 nan 8.270 nan 0.000 0.464 871 L N 1.716 122.819 121.223 -0.201 0.000 2.010 871 L HA -0.315 4.028 4.340 0.004 0.000 0.219 871 L C 2.407 179.142 176.870 -0.225 0.000 1.077 871 L CA 2.346 56.881 54.840 -0.508 0.000 0.773 871 L CB -0.269 41.377 42.059 -0.688 0.000 0.892 871 L HN 0.743 nan 8.230 nan 0.000 0.436 872 R N -0.892 119.529 120.500 -0.131 0.000 2.193 872 R HA -0.154 4.188 4.340 0.004 0.000 0.229 872 R C 1.439 177.711 176.300 -0.046 0.000 1.110 872 R CA 1.593 57.643 56.100 -0.083 0.000 0.988 872 R CB -0.591 29.674 30.300 -0.058 0.000 0.871 872 R HN 0.424 nan 8.270 nan 0.000 0.458 873 D N 1.102 121.484 120.400 -0.030 0.000 2.162 873 D HA -0.037 4.605 4.640 0.004 0.000 0.203 873 D C 1.981 178.290 176.300 0.015 0.000 0.967 873 D CA 0.985 54.985 54.000 -0.000 0.000 0.840 873 D CB 0.029 40.838 40.800 0.015 0.000 0.972 873 D HN 0.290 nan 8.370 nan 0.000 0.482 874 L N 0.363 121.590 121.223 0.007 0.000 2.249 874 L HA 0.135 4.477 4.340 0.004 0.000 0.207 874 L C 2.416 179.330 176.870 0.072 0.000 1.090 874 L CA 0.206 55.073 54.840 0.044 0.000 0.802 874 L CB 0.103 42.200 42.059 0.063 0.000 0.947 874 L HN -0.084 nan 8.230 nan 0.000 0.453 875 I N -0.013 120.588 120.570 0.051 0.000 2.756 875 I HA -0.234 3.939 4.170 0.004 0.000 0.262 875 I C 2.108 178.329 176.117 0.175 0.000 1.225 875 I CA 1.013 62.391 61.300 0.130 0.000 1.472 875 I CB 0.315 38.313 38.000 -0.004 0.000 1.094 875 I HN 0.227 nan 8.210 nan 0.000 0.454 876 I N -0.034 120.595 120.570 0.098 0.000 3.564 876 I HA -0.170 4.002 4.170 0.004 0.000 0.294 876 I C 2.238 178.431 176.117 0.127 0.000 1.289 876 I CA 0.793 62.152 61.300 0.098 0.000 1.325 876 I CB 0.033 38.059 38.000 0.043 0.000 1.039 876 I HN 0.300 nan 8.210 nan 0.000 0.474 877 S N -0.026 115.762 115.700 0.147 0.000 2.399 877 S HA -0.231 4.242 4.470 0.004 0.000 0.231 877 S C 1.808 176.555 174.600 0.244 0.000 1.022 877 S CA 1.213 59.514 58.200 0.168 0.000 0.983 877 S CB -0.235 63.062 63.200 0.162 0.000 0.803 877 S HN 0.503 nan 8.310 nan 0.000 0.480 878 E N 1.861 122.235 120.200 0.289 0.000 2.031 878 E HA -0.136 4.217 4.350 0.004 0.000 0.193 878 E C 2.078 178.767 176.600 0.149 0.000 0.994 878 E CA 1.475 58.035 56.400 0.267 0.000 0.800 878 E CB -0.497 29.328 29.700 0.208 0.000 0.752 878 E HN 0.452 nan 8.360 nan 0.000 0.447 879 M N 0.393 120.087 119.600 0.157 0.000 2.108 879 M HA -0.234 4.249 4.480 0.004 0.000 0.261 879 M C 1.901 178.225 176.300 0.039 0.000 1.066 879 M CA 1.900 57.261 55.300 0.102 0.000 1.107 879 M CB -0.572 32.085 32.600 0.095 0.000 1.356 879 M HN 0.212 nan 8.290 nan 0.000 0.406 880 Q N -0.798 119.020 119.800 0.029 0.000 2.124 880 Q HA -0.205 4.137 4.340 0.004 0.000 0.202 880 Q C 2.095 178.036 176.000 -0.098 0.000 0.977 880 Q CA 1.498 57.291 55.803 -0.016 0.000 0.850 880 Q CB -0.264 28.478 28.738 0.005 0.000 0.901 880 Q HN 0.362 nan 8.270 nan 0.000 0.429 881 R N 0.794 121.195 120.500 -0.164 0.000 2.075 881 R HA -0.113 4.230 4.340 0.004 0.000 0.232 881 R C 1.850 177.850 176.300 -0.500 0.000 1.126 881 R CA 1.137 56.992 56.100 -0.409 0.000 0.963 881 R CB -0.652 29.177 30.300 -0.784 0.000 0.858 881 R HN 0.155 nan 8.270 nan 0.000 0.435 882 L N 0.772 121.880 121.223 -0.192 0.000 2.079 882 L HA -0.139 4.203 4.340 0.004 0.000 0.210 882 L C 2.241 179.083 176.870 -0.047 0.000 1.081 882 L CA 2.511 57.355 54.840 0.006 0.000 0.752 882 L CB -1.594 40.542 42.059 0.128 0.000 0.896 882 L HN 0.509 nan 8.230 nan 0.000 0.433 883 T N -4.856 109.651 114.554 -0.078 0.000 3.035 883 T HA -0.100 4.253 4.350 0.004 0.000 0.268 883 T C 1.860 176.505 174.700 -0.092 0.000 1.109 883 T CA 0.525 62.590 62.100 -0.058 0.000 1.119 883 T CB -0.011 68.834 68.868 -0.038 0.000 0.900 883 T HN -0.001 nan 8.240 nan 0.000 0.503 884 K N 0.480 120.768 120.400 -0.186 0.000 2.167 884 K HA 0.187 4.510 4.320 0.004 0.000 0.203 884 K C 1.728 178.270 176.600 -0.096 0.000 1.052 884 K CA 0.523 56.709 56.287 -0.168 0.000 0.956 884 K CB -0.853 31.508 32.500 -0.233 0.000 0.735 884 K HN 0.421 nan 8.250 nan 0.000 0.451 885 Y N 0.992 121.273 120.300 -0.032 0.000 2.081 885 Y HA -0.173 4.379 4.550 0.004 0.000 0.280 885 Y C -0.735 175.066 175.900 -0.165 0.000 1.163 885 Y CA 1.170 59.213 58.100 -0.095 0.000 1.135 885 Y CB -1.898 36.408 38.460 -0.256 0.000 0.970 885 Y HN 0.146 nan 8.280 nan 0.000 0.498 886 P HA -0.151 nan 4.420 nan 0.000 0.216 886 P C 1.766 179.044 177.300 -0.036 0.000 1.150 886 P CA 1.204 64.266 63.100 -0.063 0.000 0.837 886 P CB 0.012 31.675 31.700 -0.061 0.000 0.786 887 L N -1.308 119.902 121.223 -0.021 0.000 2.017 887 L HA -0.127 4.215 4.340 0.004 0.000 0.208 887 L C 2.299 179.166 176.870 -0.004 0.000 1.073 887 L CA 1.706 56.535 54.840 -0.018 0.000 0.745 887 L CB -1.902 40.145 42.059 -0.019 0.000 0.894 887 L HN -0.044 nan 8.230 nan 0.000 0.432 888 L N -1.000 120.239 121.223 0.027 0.000 2.012 888 L HA -0.208 4.135 4.340 0.004 0.000 0.210 888 L C 2.531 179.420 176.870 0.033 0.000 1.073 888 L CA 1.601 56.473 54.840 0.053 0.000 0.748 888 L CB -1.206 40.934 42.059 0.135 0.000 0.891 888 L HN 0.209 nan 8.230 nan 0.000 0.431 889 L N -0.999 120.240 121.223 0.027 0.000 2.017 889 L HA -0.240 4.103 4.340 0.004 0.000 0.208 889 L C 2.506 179.340 176.870 -0.060 0.000 1.073 889 L CA 1.199 56.031 54.840 -0.013 0.000 0.745 889 L CB -0.450 41.582 42.059 -0.047 0.000 0.894 889 L HN 0.212 nan 8.230 nan 0.000 0.432 890 E N -0.367 119.795 120.200 -0.064 0.000 2.130 890 E HA -0.262 4.090 4.350 0.004 0.000 0.196 890 E C 2.320 178.860 176.600 -0.099 0.000 0.998 890 E CA 1.600 57.953 56.400 -0.079 0.000 0.806 890 E CB -0.091 29.573 29.700 -0.060 0.000 0.738 890 E HN 0.283 nan 8.360 nan 0.000 0.459 891 S N -1.221 114.432 115.700 -0.078 0.000 2.436 891 S HA 0.025 4.498 4.470 0.004 0.000 0.228 891 S C 1.787 176.328 174.600 -0.097 0.000 1.014 891 S CA 0.568 58.712 58.200 -0.093 0.000 0.950 891 S CB -0.154 63.031 63.200 -0.025 0.000 0.784 891 S HN 0.306 nan 8.310 nan 0.000 0.504 892 I N 1.012 121.545 120.570 -0.063 0.000 2.286 892 I HA -0.082 4.090 4.170 0.004 0.000 0.245 892 I C 2.049 178.108 176.117 -0.096 0.000 1.104 892 I CA 0.904 62.173 61.300 -0.052 0.000 1.397 892 I CB -0.338 37.636 38.000 -0.044 0.000 1.072 892 I HN 0.287 nan 8.210 nan 0.000 0.417 893 I N 1.210 121.689 120.570 -0.152 0.000 2.163 893 I HA -0.346 3.827 4.170 0.004 0.000 0.243 893 I C 2.626 178.668 176.117 -0.126 0.000 1.085 893 I CA 1.570 62.732 61.300 -0.231 0.000 1.347 893 I CB -0.439 37.374 38.000 -0.311 0.000 1.044 893 I HN 0.184 nan 8.210 nan 0.000 0.408 894 K N 0.986 121.269 120.400 -0.194 0.000 2.127 894 K HA -0.245 4.078 4.320 0.004 0.000 0.208 894 K C 1.320 177.729 176.600 -0.319 0.000 1.047 894 K CA 1.987 58.095 56.287 -0.298 0.000 0.927 894 K CB -0.297 31.905 32.500 -0.497 0.000 0.716 894 K HN 0.524 nan 8.250 nan 0.000 0.450 895 H N -0.856 118.205 119.070 -0.015 0.000 2.487 895 H HA 0.226 4.784 4.556 0.004 0.000 0.290 895 H C -0.695 174.623 175.328 -0.017 0.000 1.081 895 H CA -0.390 55.644 56.048 -0.024 0.000 1.116 895 H CB 0.816 30.543 29.762 -0.058 0.000 1.560 895 H HN -0.016 nan 8.280 nan 0.000 0.548 896 T N 2.024 116.629 114.554 0.085 0.000 2.829 896 T HA 0.085 4.438 4.350 0.004 0.000 0.282 896 T C 0.134 174.910 174.700 0.127 0.000 0.990 896 T CA -0.927 61.228 62.100 0.091 0.000 1.028 896 T CB 1.306 70.214 68.868 0.068 0.000 0.951 896 T HN 0.263 nan 8.240 nan 0.000 0.460 897 E N 2.299 122.547 120.200 0.080 0.000 2.351 897 E HA 0.218 4.570 4.350 0.004 0.000 0.266 897 E C 0.835 177.460 176.600 0.042 0.000 1.031 897 E CA -0.200 56.230 56.400 0.049 0.000 0.911 897 E CB 0.592 30.307 29.700 0.025 0.000 0.986 897 E HN 0.739 nan 8.360 nan 0.000 0.446 898 G N 1.250 110.027 108.800 -0.038 0.000 2.653 898 G HA2 0.327 4.289 3.960 0.004 0.000 0.265 898 G HA3 0.327 4.289 3.960 0.004 0.000 0.265 898 G C 0.991 175.816 174.900 -0.125 0.000 1.237 898 G CA -0.031 44.943 45.100 -0.210 0.000 0.946 898 G HN 0.684 nan 8.290 nan 0.000 0.522 899 G N -1.826 106.880 108.800 -0.157 0.000 2.196 899 G HA2 -0.267 3.695 3.960 0.004 0.000 0.268 899 G HA3 -0.267 3.695 3.960 0.004 0.000 0.268 899 G C 0.646 175.531 174.900 -0.025 0.000 0.975 899 G CA 1.092 46.147 45.100 -0.075 0.000 0.648 899 G HN 1.044 nan 8.290 nan 0.000 0.538 900 T N 0.605 115.160 114.554 0.003 0.000 2.909 900 T HA 0.526 4.878 4.350 0.004 0.000 0.286 900 T C 1.575 176.311 174.700 0.061 0.000 1.002 900 T CA 0.335 62.457 62.100 0.037 0.000 1.074 900 T CB 1.612 70.512 68.868 0.052 0.000 0.984 900 T HN 0.111 nan 8.240 nan 0.000 0.495 901 S N 1.368 117.096 115.700 0.046 0.000 2.382 901 S HA -0.148 4.324 4.470 0.004 0.000 0.228 901 S C 2.088 176.724 174.600 0.060 0.000 1.027 901 S CA 1.335 59.564 58.200 0.048 0.000 0.991 901 S CB -0.275 62.944 63.200 0.032 0.000 0.823 901 S HN 0.863 nan 8.310 nan 0.000 0.469 902 E N 1.583 121.817 120.200 0.058 0.000 2.065 902 E HA -0.273 4.079 4.350 0.004 0.000 0.201 902 E C 1.926 178.566 176.600 0.066 0.000 1.016 902 E CA 1.874 58.306 56.400 0.054 0.000 0.818 902 E CB -0.516 29.212 29.700 0.047 0.000 0.749 902 E HN 0.615 nan 8.360 nan 0.000 0.453 903 H N 0.228 119.300 119.070 0.004 0.000 2.353 903 H HA -0.096 4.462 4.556 0.004 0.000 0.300 903 H C 2.059 177.387 175.328 -0.001 0.000 1.090 903 H CA 1.954 58.001 56.048 -0.001 0.000 1.327 903 H CB -0.034 29.724 29.762 -0.007 0.000 1.383 903 H HN 0.448 nan 8.280 nan 0.000 0.508 904 E N 0.537 120.862 120.200 0.208 0.000 2.077 904 E HA -0.155 4.198 4.350 0.004 0.000 0.193 904 E C 2.126 178.763 176.600 0.061 0.000 0.989 904 E CA 1.035 57.522 56.400 0.146 0.000 0.800 904 E CB 0.161 29.914 29.700 0.089 0.000 0.746 904 E HN 0.375 nan 8.360 nan 0.000 0.452 905 K N 0.085 120.510 120.400 0.040 0.000 2.148 905 K HA -0.079 4.244 4.320 0.004 0.000 0.204 905 K C 2.113 178.714 176.600 0.003 0.000 1.050 905 K CA 0.810 57.110 56.287 0.022 0.000 0.942 905 K CB 0.008 32.525 32.500 0.028 0.000 0.724 905 K HN 0.164 nan 8.250 nan 0.000 0.446 906 L N 0.056 121.259 121.223 -0.032 0.000 2.093 906 L HA -0.218 4.125 4.340 0.004 0.000 0.208 906 L C 2.358 179.173 176.870 -0.092 0.000 1.085 906 L CA 0.798 55.598 54.840 -0.066 0.000 0.755 906 L CB -0.423 41.557 42.059 -0.132 0.000 0.904 906 L HN 0.293 nan 8.230 nan 0.000 0.435 907 C N -0.377 118.855 119.300 -0.115 0.000 2.425 907 C HA -0.171 4.292 4.460 0.004 0.000 0.277 907 C C 3.013 177.983 174.990 -0.034 0.000 1.280 907 C CA 0.975 59.949 59.018 -0.073 0.000 1.744 907 C CB -0.813 26.926 27.740 -0.001 0.000 1.989 907 C HN 0.491 nan 8.230 nan 0.000 0.491 908 R N 1.795 122.286 120.500 -0.014 0.000 2.073 908 R HA -0.045 4.298 4.340 0.004 0.000 0.234 908 R C 2.131 178.422 176.300 -0.015 0.000 1.134 908 R CA 2.169 58.265 56.100 -0.007 0.000 0.952 908 R CB -0.734 29.569 30.300 0.005 0.000 0.850 908 R HN 0.385 nan 8.270 nan 0.000 0.433 909 A N 1.163 123.980 122.820 -0.006 0.000 1.902 909 A HA -0.187 4.136 4.320 0.004 0.000 0.217 909 A C 2.285 179.814 177.584 -0.091 0.000 1.181 909 A CA 1.655 53.697 52.037 0.008 0.000 0.623 909 A CB -0.753 18.299 19.000 0.086 0.000 0.818 909 A HN 0.466 nan 8.150 nan 0.000 0.443 910 R N -0.257 120.181 120.500 -0.103 0.000 2.083 910 R HA -0.194 4.149 4.340 0.004 0.000 0.237 910 R C 1.263 177.498 176.300 -0.108 0.000 1.137 910 R CA 2.052 58.072 56.100 -0.134 0.000 0.951 910 R CB -0.525 29.715 30.300 -0.101 0.000 0.851 910 R HN 0.441 nan 8.270 nan 0.000 0.434 911 D N 0.350 120.709 120.400 -0.068 0.000 2.144 911 D HA -0.147 4.495 4.640 0.004 0.000 0.199 911 D C 2.067 178.338 176.300 -0.048 0.000 0.984 911 D CA 0.872 54.843 54.000 -0.048 0.000 0.834 911 D CB -0.141 40.642 40.800 -0.027 0.000 0.955 911 D HN 0.250 nan 8.370 nan 0.000 0.465 912 Q N 0.057 119.826 119.800 -0.052 0.000 2.119 912 Q HA -0.062 4.281 4.340 0.004 0.000 0.201 912 Q C 2.488 178.448 176.000 -0.067 0.000 0.972 912 Q CA 0.464 56.243 55.803 -0.040 0.000 0.847 912 Q CB -0.832 27.899 28.738 -0.012 0.000 0.903 912 Q HN 0.334 nan 8.270 nan 0.000 0.433 913 C N 0.423 119.627 119.300 -0.160 0.000 2.413 913 C HA -0.119 4.343 4.460 0.004 0.000 0.276 913 C C 2.708 177.642 174.990 -0.094 0.000 1.248 913 C CA 0.544 59.432 59.018 -0.217 0.000 1.742 913 C CB -0.751 26.747 27.740 -0.403 0.000 2.017 913 C HN 0.490 nan 8.230 nan 0.000 0.481 914 R N 0.365 120.820 120.500 -0.075 0.000 2.096 914 R HA -0.128 4.214 4.340 0.004 0.000 0.235 914 R C 2.072 178.368 176.300 -0.006 0.000 1.127 914 R CA 1.282 57.360 56.100 -0.035 0.000 0.968 914 R CB -0.353 29.925 30.300 -0.035 0.000 0.861 914 R HN 0.476 nan 8.270 nan 0.000 0.440 915 E N 0.978 121.175 120.200 -0.006 0.000 2.072 915 E HA -0.096 4.257 4.350 0.004 0.000 0.191 915 E C 1.824 178.458 176.600 0.058 0.000 0.985 915 E CA 0.980 57.393 56.400 0.023 0.000 0.801 915 E CB -0.118 29.588 29.700 0.011 0.000 0.750 915 E HN 0.238 nan 8.360 nan 0.000 0.452 916 I N 0.001 120.589 120.570 0.030 0.000 2.163 916 I HA -0.304 3.868 4.170 0.004 0.000 0.243 916 I C 2.178 178.360 176.117 0.109 0.000 1.085 916 I CA 0.942 62.270 61.300 0.046 0.000 1.347 916 I CB -0.261 37.752 38.000 0.021 0.000 1.044 916 I HN 0.133 nan 8.210 nan 0.000 0.408 917 L N 0.376 121.642 121.223 0.072 0.000 2.042 917 L HA -0.251 4.091 4.340 0.004 0.000 0.210 917 L C 2.573 179.490 176.870 0.079 0.000 1.076 917 L CA 1.535 56.419 54.840 0.073 0.000 0.749 917 L CB -0.602 41.478 42.059 0.036 0.000 0.893 917 L HN 0.175 nan 8.230 nan 0.000 0.432 918 K N -0.993 119.448 120.400 0.070 0.000 2.103 918 K HA -0.248 4.075 4.320 0.004 0.000 0.207 918 K C 2.138 178.792 176.600 0.090 0.000 1.048 918 K CA 1.748 58.071 56.287 0.060 0.000 0.930 918 K CB -0.305 32.222 32.500 0.045 0.000 0.716 918 K HN 0.217 nan 8.250 nan 0.000 0.444 919 Y N 1.396 121.699 120.300 0.006 0.000 2.163 919 Y HA -0.219 4.333 4.550 0.004 0.000 0.288 919 Y C 2.019 177.931 175.900 0.019 0.000 1.136 919 Y CA 1.067 59.173 58.100 0.010 0.000 1.147 919 Y CB -0.280 38.187 38.460 0.011 0.000 0.987 919 Y HN -0.260 nan 8.280 nan 0.000 0.509 920 V N 0.851 120.948 119.914 0.304 0.000 2.332 920 V HA -0.341 3.781 4.120 0.004 0.000 0.248 920 V C 2.139 178.275 176.094 0.070 0.000 1.055 920 V CA 2.183 64.598 62.300 0.192 0.000 1.038 920 V CB -1.099 30.832 31.823 0.180 0.000 0.651 920 V HN 0.477 nan 8.190 nan 0.000 0.450 921 N N 0.281 119.010 118.700 0.049 0.000 2.061 921 N HA -0.249 4.494 4.740 0.004 0.000 0.193 921 N C 1.827 177.321 175.510 -0.027 0.000 1.030 921 N CA 1.788 54.843 53.050 0.010 0.000 0.856 921 N CB -0.148 38.343 38.487 0.007 0.000 1.023 921 N HN 0.456 nan 8.380 nan 0.000 0.424 922 E N -0.266 119.897 120.200 -0.062 0.000 2.106 922 E HA 0.022 4.375 4.350 0.004 0.000 0.192 922 E C 1.738 178.262 176.600 -0.126 0.000 0.984 922 E CA 1.146 57.481 56.400 -0.109 0.000 0.806 922 E CB -0.418 29.189 29.700 -0.155 0.000 0.750 922 E HN 0.474 nan 8.360 nan 0.000 0.458 923 A N -0.168 122.565 122.820 -0.145 0.000 1.873 923 A HA -0.122 4.200 4.320 0.004 0.000 0.215 923 A C 2.467 180.031 177.584 -0.034 0.000 1.186 923 A CA 1.508 53.483 52.037 -0.104 0.000 0.616 923 A CB -0.805 18.155 19.000 -0.066 0.000 0.823 923 A HN 0.172 nan 8.150 nan 0.000 0.442 924 V N 0.569 120.476 119.914 -0.013 0.000 2.287 924 V HA -0.332 3.790 4.120 0.004 0.000 0.248 924 V C 2.571 178.650 176.094 -0.025 0.000 1.053 924 V CA 2.561 64.855 62.300 -0.011 0.000 1.027 924 V CB -0.743 31.076 31.823 -0.007 0.000 0.646 924 V HN 0.736 nan 8.190 nan 0.000 0.447 925 K N -0.525 119.855 120.400 -0.032 0.000 2.020 925 K HA -0.271 4.051 4.320 0.004 0.000 0.212 925 K C 2.282 178.863 176.600 -0.031 0.000 1.050 925 K CA 1.907 58.174 56.287 -0.034 0.000 0.929 925 K CB -0.156 32.320 32.500 -0.039 0.000 0.714 925 K HN 0.379 nan 8.250 nan 0.000 0.443 926 Q N -0.138 119.640 119.800 -0.036 0.000 2.123 926 Q HA -0.067 4.275 4.340 0.004 0.000 0.199 926 Q C 2.185 178.182 176.000 -0.005 0.000 0.966 926 Q CA 1.656 57.443 55.803 -0.027 0.000 0.845 926 Q CB -0.373 28.341 28.738 -0.041 0.000 0.907 926 Q HN 0.406 nan 8.270 nan 0.000 0.439 927 T N 1.474 116.031 114.554 0.005 0.000 2.708 927 T HA -0.137 4.216 4.350 0.004 0.000 0.266 927 T C 1.716 176.438 174.700 0.037 0.000 1.037 927 T CA 1.412 63.539 62.100 0.045 0.000 1.146 927 T CB -0.094 68.819 68.868 0.074 0.000 0.865 927 T HN 0.353 nan 8.240 nan 0.000 0.435 928 E N 0.891 121.084 120.200 -0.012 0.000 2.058 928 E HA -0.153 4.199 4.350 0.004 0.000 0.194 928 E C 2.340 178.934 176.600 -0.009 0.000 0.997 928 E CA 1.092 57.471 56.400 -0.035 0.000 0.801 928 E CB -0.131 29.534 29.700 -0.058 0.000 0.746 928 E HN 0.288 nan 8.360 nan 0.000 0.450 929 N N 0.422 119.111 118.700 -0.018 0.000 2.149 929 N HA -0.147 4.595 4.740 0.004 0.000 0.188 929 N C 1.653 177.143 175.510 -0.033 0.000 1.019 929 N CA 0.914 53.945 53.050 -0.030 0.000 0.857 929 N CB -0.149 38.325 38.487 -0.021 0.000 0.997 929 N HN 0.040 nan 8.380 nan 0.000 0.426 930 R N -0.315 120.186 120.500 0.002 0.000 2.073 930 R HA -0.103 4.239 4.340 0.004 0.000 0.234 930 R C 2.264 178.567 176.300 0.005 0.000 1.134 930 R CA 1.284 57.390 56.100 0.011 0.000 0.952 930 R CB -0.315 30.009 30.300 0.039 0.000 0.850 930 R HN 0.440 nan 8.270 nan 0.000 0.433 931 H N 0.147 119.183 119.070 -0.057 0.000 2.387 931 H HA -0.092 4.466 4.556 0.004 0.000 0.299 931 H C 2.063 177.299 175.328 -0.154 0.000 1.090 931 H CA 1.712 57.719 56.048 -0.069 0.000 1.332 931 H CB 0.177 29.905 29.762 -0.057 0.000 1.386 931 H HN 0.105 nan 8.280 nan 0.000 0.516 932 R N 0.087 120.482 120.500 -0.175 0.000 2.073 932 R HA -0.089 4.253 4.340 0.004 0.000 0.234 932 R C 2.829 178.741 176.300 -0.647 0.000 1.134 932 R CA 1.368 57.205 56.100 -0.440 0.000 0.952 932 R CB -0.098 29.977 30.300 -0.376 0.000 0.850 932 R HN 0.294 nan 8.270 nan 0.000 0.433 933 L N 0.193 121.204 121.223 -0.354 0.000 2.093 933 L HA -0.152 4.190 4.340 0.004 0.000 0.208 933 L C 2.216 179.019 176.870 -0.112 0.000 1.085 933 L CA 1.327 56.056 54.840 -0.186 0.000 0.755 933 L CB -0.315 41.714 42.059 -0.050 0.000 0.904 933 L HN 0.304 nan 8.230 nan 0.000 0.435 934 E N -0.136 119.979 120.200 -0.142 0.000 2.085 934 E HA -0.212 4.141 4.350 0.004 0.000 0.194 934 E C 2.145 178.669 176.600 -0.127 0.000 0.994 934 E CA 1.191 57.521 56.400 -0.115 0.000 0.801 934 E CB -0.297 29.321 29.700 -0.135 0.000 0.743 934 E HN 0.567 nan 8.360 nan 0.000 0.453 935 G N -0.043 108.619 108.800 -0.230 0.000 2.422 935 G HA2 -0.225 3.738 3.960 0.004 0.000 0.218 935 G HA3 -0.225 3.738 3.960 0.004 0.000 0.218 935 G C 1.089 176.014 174.900 0.042 0.000 1.140 935 G CA 0.499 45.506 45.100 -0.154 0.000 0.775 935 G HN 0.178 nan 8.290 nan 0.000 0.545 936 Y N 0.283 120.547 120.300 -0.059 0.000 2.263 936 Y HA -0.026 4.526 4.550 0.004 0.000 0.292 936 Y C 2.880 178.769 175.900 -0.019 0.000 1.130 936 Y CA 0.823 58.903 58.100 -0.033 0.000 1.179 936 Y CB -0.928 37.527 38.460 -0.009 0.000 0.998 936 Y HN 0.217 nan 8.280 nan 0.000 0.532 937 Q N 1.026 120.914 119.800 0.147 0.000 2.135 937 Q HA -0.174 4.169 4.340 0.004 0.000 0.204 937 Q C 1.952 177.984 176.000 0.054 0.000 0.981 937 Q CA 1.830 57.682 55.803 0.081 0.000 0.856 937 Q CB -0.171 28.596 28.738 0.048 0.000 0.902 937 Q HN 0.327 nan 8.270 nan 0.000 0.425 938 K N -0.513 119.911 120.400 0.040 0.000 2.097 938 K HA -0.071 4.252 4.320 0.004 0.000 0.205 938 K C 1.988 178.606 176.600 0.030 0.000 1.050 938 K CA 1.287 57.589 56.287 0.025 0.000 0.938 938 K CB -0.014 32.490 32.500 0.007 0.000 0.718 938 K HN 0.162 nan 8.250 nan 0.000 0.442 939 R N 0.489 121.017 120.500 0.045 0.000 2.297 939 R HA 0.061 4.404 4.340 0.004 0.000 0.197 939 R C 0.272 176.584 176.300 0.020 0.000 0.943 939 R CA -0.195 55.922 56.100 0.030 0.000 1.038 939 R CB -0.018 30.301 30.300 0.032 0.000 0.957 939 R HN -0.006 nan 8.270 nan 0.000 0.484 940 L N 2.005 123.248 121.223 0.034 0.000 2.462 940 L HA 0.048 4.391 4.340 0.004 0.000 0.272 940 L C -0.594 176.292 176.870 0.027 0.000 1.166 940 L CA 0.455 55.312 54.840 0.029 0.000 0.880 940 L CB 0.678 42.766 42.059 0.047 0.000 1.142 940 L HN -0.049 nan 8.230 nan 0.000 0.473 941 D N 3.956 124.369 120.400 0.022 0.000 2.441 941 D HA 0.559 5.201 4.640 0.004 0.000 0.231 941 D C -0.255 176.066 176.300 0.035 0.000 1.073 941 D CA -0.169 53.846 54.000 0.025 0.000 0.850 941 D CB 1.294 42.105 40.800 0.018 0.000 1.062 941 D HN 0.670 nan 8.370 nan 0.000 0.524 942 A N 3.330 126.175 122.820 0.041 0.000 2.965 942 A HA 0.233 4.555 4.320 0.004 0.000 0.304 942 A C 1.404 179.017 177.584 0.048 0.000 1.214 942 A CA -0.392 51.677 52.037 0.054 0.000 0.977 942 A CB 0.008 19.048 19.000 0.066 0.000 1.127 942 A HN 0.591 nan 8.150 nan 0.000 0.572 943 T N 0.579 115.157 114.554 0.039 0.000 2.612 943 T HA -0.071 4.281 4.350 0.004 0.000 0.259 943 T C 2.109 176.832 174.700 0.037 0.000 1.065 943 T CA 1.757 63.877 62.100 0.033 0.000 1.167 943 T CB -0.222 68.661 68.868 0.026 0.000 0.863 943 T HN 0.665 nan 8.240 nan 0.000 0.407 944 A N 0.075 122.919 122.820 0.039 0.000 2.263 944 A HA 0.169 4.492 4.320 0.004 0.000 0.205 944 A C 1.732 179.348 177.584 0.053 0.000 1.226 944 A CA 0.713 52.775 52.037 0.041 0.000 0.810 944 A CB -0.530 18.494 19.000 0.040 0.000 0.784 944 A HN 0.351 nan 8.150 nan 0.000 0.486 945 L N -1.213 120.046 121.223 0.060 0.000 2.642 945 L HA 0.121 4.464 4.340 0.004 0.000 0.233 945 L C 2.213 179.121 176.870 0.063 0.000 1.077 945 L CA 1.376 56.262 54.840 0.077 0.000 0.879 945 L CB -0.039 42.081 42.059 0.103 0.000 1.151 945 L HN 0.631 nan 8.230 nan 0.000 0.495 946 E N 0.224 120.453 120.200 0.048 0.000 2.106 946 E HA -0.228 4.125 4.350 0.004 0.000 0.192 946 E C 1.918 178.535 176.600 0.028 0.000 0.984 946 E CA 1.412 57.834 56.400 0.035 0.000 0.806 946 E CB -0.146 29.572 29.700 0.029 0.000 0.750 946 E HN 0.540 nan 8.360 nan 0.000 0.458 947 R N 1.050 121.567 120.500 0.028 0.000 2.103 947 R HA 0.461 4.803 4.340 0.004 0.000 0.212 947 R C 1.136 177.453 176.300 0.027 0.000 1.107 947 R CA 0.264 56.377 56.100 0.022 0.000 1.025 947 R CB -0.400 29.910 30.300 0.018 0.000 0.929 947 R HN 0.170 nan 8.270 nan 0.000 0.456 948 A N 0.659 123.500 122.820 0.035 0.000 6.219 948 A HA -0.263 4.060 4.320 0.004 0.000 0.263 948 A C 0.970 178.574 177.584 0.033 0.000 2.100 948 A CA 1.268 53.331 52.037 0.043 0.000 0.709 948 A CB -1.719 17.316 19.000 0.058 0.000 1.081 948 A HN 0.789 nan 8.150 nan 0.000 0.372 949 S N -0.190 115.532 115.700 0.038 0.000 2.593 949 S HA 0.309 4.782 4.470 0.004 0.000 0.235 949 S C 0.151 174.765 174.600 0.024 0.000 1.059 949 S CA 0.648 58.863 58.200 0.025 0.000 0.953 949 S CB 0.131 63.344 63.200 0.021 0.000 0.897 949 S HN 1.964 nan 8.310 nan 0.000 0.507 950 N N 0.879 119.601 118.700 0.037 0.000 2.336 950 N HA 0.342 5.085 4.740 0.004 0.000 0.290 950 N C -3.144 172.392 175.510 0.045 0.000 1.058 950 N CA -1.526 51.545 53.050 0.035 0.000 0.865 950 N CB 1.395 39.902 38.487 0.034 0.000 1.581 950 N HN -0.146 nan 8.380 nan 0.000 0.480 951 P HA 0.011 nan 4.420 nan 0.000 0.236 951 P C 0.955 178.274 177.300 0.032 0.000 1.172 951 P CA 0.228 63.340 63.100 0.021 0.000 0.759 951 P CB 0.362 32.066 31.700 0.006 0.000 0.843 952 L N -1.179 120.082 121.223 0.064 0.000 2.610 952 L HA 0.077 4.419 4.340 0.004 0.000 0.232 952 L C 2.061 179.042 176.870 0.185 0.000 1.149 952 L CA 0.863 55.768 54.840 0.108 0.000 0.872 952 L CB -0.315 41.814 42.059 0.117 0.000 0.992 952 L HN -0.002 nan 8.230 nan 0.000 0.447 953 A N -2.058 120.858 122.820 0.159 0.000 2.242 953 A HA 0.405 4.727 4.320 0.004 0.000 0.205 953 A C 2.153 179.838 177.584 0.169 0.000 1.353 953 A CA 0.528 52.710 52.037 0.241 0.000 1.005 953 A CB -0.215 18.904 19.000 0.198 0.000 1.127 953 A HN 0.175 nan 8.150 nan 0.000 0.498 954 A N 1.245 124.102 122.820 0.063 0.000 1.972 954 A HA -0.161 4.162 4.320 0.004 0.000 0.219 954 A C 1.899 179.458 177.584 -0.041 0.000 1.169 954 A CA 1.749 53.799 52.037 0.021 0.000 0.635 954 A CB -0.466 18.535 19.000 0.003 0.000 0.810 954 A HN 0.665 nan 8.150 nan 0.000 0.446 955 E N -0.882 119.217 120.200 -0.169 0.000 2.347 955 E HA -0.139 4.213 4.350 0.004 0.000 0.196 955 E C 0.345 176.730 176.600 -0.358 0.000 1.008 955 E CA 0.703 56.914 56.400 -0.316 0.000 0.852 955 E CB -0.306 29.109 29.700 -0.475 0.000 0.783 955 E HN 0.571 nan 8.360 nan 0.000 0.505 956 F N 2.074 122.043 119.950 0.031 0.000 2.660 956 F HA 0.242 4.771 4.527 0.004 0.000 0.297 956 F C 1.851 177.671 175.800 0.033 0.000 1.132 956 F CA -0.070 57.949 58.000 0.033 0.000 1.372 956 F CB 0.276 39.299 39.000 0.038 0.000 1.003 956 F HN 0.036 nan 8.300 nan 0.000 0.524 957 K N -0.163 120.315 120.400 0.129 0.000 2.288 957 K HA -0.042 4.280 4.320 0.004 0.000 0.201 957 K C 0.913 177.562 176.600 0.081 0.000 1.048 957 K CA 1.495 57.839 56.287 0.095 0.000 0.956 957 K CB -0.203 32.330 32.500 0.055 0.000 0.746 957 K HN 0.242 nan 8.250 nan 0.000 0.461 958 S N 0.652 116.400 115.700 0.080 0.000 2.664 958 S HA 0.179 4.652 4.470 0.004 0.000 0.245 958 S C 1.279 175.934 174.600 0.091 0.000 1.019 958 S CA -0.660 57.580 58.200 0.067 0.000 0.996 958 S CB -0.104 63.120 63.200 0.040 0.000 0.878 958 S HN 0.274 nan 8.310 nan 0.000 0.493 959 L N 1.877 123.182 121.223 0.137 0.000 2.113 959 L HA -0.299 4.044 4.340 0.004 0.000 0.237 959 L C 0.395 177.333 176.870 0.114 0.000 1.113 959 L CA 2.305 57.245 54.840 0.166 0.000 0.837 959 L CB -0.722 41.422 42.059 0.142 0.000 0.929 959 L HN 0.496 nan 8.230 nan 0.000 0.449 960 D N -1.084 119.367 120.400 0.084 0.000 4.201 960 D HA -0.193 4.449 4.640 0.004 0.000 0.238 960 D C 0.652 176.992 176.300 0.067 0.000 1.070 960 D CA 0.538 54.578 54.000 0.066 0.000 1.208 960 D CB -0.647 40.186 40.800 0.055 0.000 0.825 960 D HN 0.302 nan 8.370 nan 0.000 0.404 961 L N 2.026 123.291 121.223 0.070 0.000 2.362 961 L HA -0.106 4.237 4.340 0.004 0.000 0.219 961 L C 2.522 179.425 176.870 0.055 0.000 1.134 961 L CA 1.196 56.080 54.840 0.073 0.000 0.807 961 L CB -0.265 41.857 42.059 0.105 0.000 0.927 961 L HN 0.310 nan 8.230 nan 0.000 0.447 962 T N -1.056 113.523 114.554 0.043 0.000 2.962 962 T HA -0.110 4.243 4.350 0.004 0.000 0.270 962 T C 1.857 176.573 174.700 0.026 0.000 1.088 962 T CA 1.702 63.818 62.100 0.027 0.000 1.127 962 T CB -0.136 68.744 68.868 0.020 0.000 0.883 962 T HN 0.551 nan 8.240 nan 0.000 0.493 963 T N -1.093 113.481 114.554 0.033 0.000 3.129 963 T HA 0.282 4.635 4.350 0.004 0.000 0.251 963 T C 0.819 175.538 174.700 0.031 0.000 1.117 963 T CA -0.138 61.981 62.100 0.031 0.000 1.034 963 T CB 0.272 69.162 68.868 0.036 0.000 0.968 963 T HN 0.002 nan 8.240 nan 0.000 0.526 964 R N 0.650 121.170 120.500 0.034 0.000 2.758 964 R HA 0.660 5.003 4.340 0.004 0.000 0.265 964 R C -0.420 175.894 176.300 0.023 0.000 1.016 964 R CA -0.697 55.422 56.100 0.032 0.000 1.040 964 R CB 0.908 31.232 30.300 0.039 0.000 1.152 964 R HN 0.054 nan 8.270 nan 0.000 0.503 965 K N 1.381 121.791 120.400 0.017 0.000 2.206 965 K HA 0.346 4.668 4.320 0.004 0.000 0.264 965 K C -0.554 176.052 176.600 0.011 0.000 0.967 965 K CA -0.473 55.820 56.287 0.009 0.000 0.844 965 K CB 1.829 34.329 32.500 -0.000 0.000 1.099 965 K HN 0.417 nan 8.250 nan 0.000 0.441 966 M N 4.167 123.774 119.600 0.011 0.000 2.216 966 M HA 0.175 4.658 4.480 0.004 0.000 0.356 966 M C 0.717 177.018 176.300 0.002 0.000 1.205 966 M CA 0.061 55.371 55.300 0.017 0.000 1.122 966 M CB 0.794 33.410 32.600 0.026 0.000 1.571 966 M HN 0.640 nan 8.290 nan 0.000 0.464 967 I N 1.375 121.946 120.570 0.003 0.000 3.039 967 I HA 0.058 4.231 4.170 0.004 0.000 0.270 967 I C 0.899 177.026 176.117 0.017 0.000 1.150 967 I CA 0.246 61.539 61.300 -0.012 0.000 1.448 967 I CB 0.322 38.304 38.000 -0.030 0.000 1.197 967 I HN 0.612 nan 8.210 nan 0.000 0.450 968 H N 0.418 119.399 119.070 -0.149 0.000 2.981 968 H HA 0.396 4.955 4.556 0.005 0.000 0.327 968 H C -1.594 173.636 175.328 -0.164 0.000 1.342 968 H CA -0.653 55.244 56.048 -0.252 0.000 1.123 968 H CB 2.281 31.733 29.762 -0.516 0.000 1.851 968 H HN 0.126 nan 8.280 nan 0.000 0.531 969 E N 1.263 121.016 120.200 -0.744 0.000 2.416 969 E HA 0.617 4.969 4.350 0.004 0.000 0.280 969 E C -1.195 175.149 176.600 -0.425 0.000 1.055 969 E CA -0.808 55.366 56.400 -0.377 0.000 0.825 969 E CB 2.658 32.309 29.700 -0.083 0.000 1.312 969 E HN 0.884 nan 8.360 nan 0.000 0.452 970 G N 0.511 109.201 108.800 -0.183 0.000 2.350 970 G HA2 0.294 4.256 3.960 0.004 0.000 0.304 970 G HA3 0.294 4.256 3.960 0.004 0.000 0.304 970 G C -3.223 171.689 174.900 0.020 0.000 1.421 970 G CA -0.661 44.460 45.100 0.036 0.000 0.934 970 G HN 0.463 nan 8.290 nan 0.000 0.632 971 P HA 0.629 nan 4.420 nan 0.000 0.280 971 P C -1.037 176.233 177.300 -0.051 0.000 1.244 971 P CA -0.237 62.890 63.100 0.045 0.000 0.784 971 P CB 1.762 33.518 31.700 0.094 0.000 0.913 972 L N 2.672 123.812 121.223 -0.138 0.000 2.409 972 L HA 0.467 4.809 4.340 0.004 0.000 0.262 972 L C 0.113 176.901 176.870 -0.137 0.000 0.992 972 L CA -0.186 54.512 54.840 -0.236 0.000 0.817 972 L CB 2.188 43.974 42.059 -0.455 0.000 1.350 972 L HN 0.255 nan 8.230 nan 0.000 0.411 973 T N 1.634 116.110 114.554 -0.130 0.000 2.767 973 T HA 0.214 4.566 4.350 0.004 0.000 0.288 973 T C -1.144 173.550 174.700 -0.011 0.000 0.963 973 T CA -0.017 62.054 62.100 -0.048 0.000 1.019 973 T CB 0.573 69.416 68.868 -0.041 0.000 0.923 973 T HN 0.395 nan 8.240 nan 0.000 0.468 974 W N 4.772 125.971 121.300 -0.169 0.000 2.295 974 W HA 0.439 5.101 4.660 0.004 0.000 0.333 974 W C -0.165 176.247 176.519 -0.178 0.000 0.990 974 W CA -2.104 55.126 57.345 -0.191 0.000 1.453 974 W CB -0.166 29.181 29.460 -0.189 0.000 1.263 974 W HN 0.511 nan 8.180 nan 0.000 0.380 975 R N 5.030 125.630 120.500 0.168 0.000 2.606 975 R HA 0.030 4.372 4.340 0.004 0.000 0.276 975 R C 1.489 177.759 176.300 -0.049 0.000 1.416 975 R CA 0.179 56.296 56.100 0.027 0.000 1.064 975 R CB -0.391 29.928 30.300 0.031 0.000 1.117 975 R HN 0.723 nan 8.270 nan 0.000 0.543 976 I N -0.005 120.382 120.570 -0.305 0.000 2.628 976 I HA 0.016 4.189 4.170 0.004 0.000 0.255 976 I C 0.543 176.515 176.117 -0.241 0.000 1.119 976 I CA 0.785 61.758 61.300 -0.545 0.000 1.448 976 I CB 0.362 37.696 38.000 -1.110 0.000 1.133 976 I HN 0.381 nan 8.210 nan 0.000 0.438 977 S N -0.550 115.042 115.700 -0.179 0.000 3.379 977 S HA 0.396 4.869 4.470 0.004 0.000 0.273 977 S C -0.558 174.001 174.600 -0.068 0.000 1.027 977 S CA -0.728 57.412 58.200 -0.101 0.000 1.098 977 S CB 0.803 63.938 63.200 -0.108 0.000 1.317 977 S HN 0.029 nan 8.310 nan 0.000 0.715 978 K N 2.595 122.961 120.400 -0.057 0.000 2.111 978 K HA 0.174 4.496 4.320 0.004 0.000 0.249 978 K C -1.146 175.429 176.600 -0.042 0.000 1.157 978 K CA 0.187 56.450 56.287 -0.041 0.000 1.048 978 K CB -0.273 32.206 32.500 -0.035 0.000 1.498 978 K HN 0.403 nan 8.250 nan 0.000 0.344 979 D N 1.271 121.647 120.400 -0.040 0.000 2.907 979 D HA -0.162 4.480 4.640 0.004 0.000 0.226 979 D C -0.302 175.967 176.300 -0.050 0.000 1.141 979 D CA 1.237 55.214 54.000 -0.037 0.000 0.779 979 D CB -0.315 40.468 40.800 -0.027 0.000 1.095 979 D HN 0.438 nan 8.370 nan 0.000 0.430 980 K N 1.154 121.510 120.400 -0.072 0.000 2.323 980 K HA 0.427 4.750 4.320 0.004 0.000 0.259 980 K C 0.165 176.690 176.600 -0.124 0.000 0.947 980 K CA -0.210 56.020 56.287 -0.095 0.000 0.819 980 K CB 1.434 33.868 32.500 -0.110 0.000 1.109 980 K HN 0.131 nan 8.250 nan 0.000 0.429 981 T N 0.463 114.954 114.554 -0.105 0.000 2.841 981 T HA 0.702 5.055 4.350 0.004 0.000 0.276 981 T C -0.596 174.040 174.700 -0.107 0.000 1.003 981 T CA -0.904 61.137 62.100 -0.099 0.000 0.995 981 T CB 1.305 70.145 68.868 -0.046 0.000 1.260 981 T HN 0.416 nan 8.240 nan 0.000 0.581 982 L N 0.867 122.060 121.223 -0.049 0.000 2.639 982 L HA 0.374 4.717 4.340 0.004 0.000 0.264 982 L C -1.632 175.268 176.870 0.051 0.000 0.948 982 L CA -0.583 54.248 54.840 -0.014 0.000 0.912 982 L CB 2.238 44.272 42.059 -0.040 0.000 1.294 982 L HN 0.688 nan 8.230 nan 0.000 0.412 983 D N 4.796 125.212 120.400 0.027 0.000 2.336 983 D HA 0.472 5.115 4.640 0.004 0.000 0.249 983 D C -0.420 175.908 176.300 0.047 0.000 1.213 983 D CA 0.306 54.324 54.000 0.029 0.000 0.870 983 D CB 1.083 41.893 40.800 0.017 0.000 1.076 983 D HN 0.240 nan 8.370 nan 0.000 0.483 984 L N 1.630 122.878 121.223 0.042 0.000 2.322 984 L HA 0.345 4.687 4.340 0.004 0.000 0.269 984 L C 0.345 177.242 176.870 0.045 0.000 1.012 984 L CA -0.900 53.967 54.840 0.046 0.000 0.815 984 L CB 2.042 44.113 42.059 0.019 0.000 1.295 984 L HN 0.354 nan 8.230 nan 0.000 0.438 985 H N 1.955 120.998 119.070 -0.045 0.000 2.595 985 H HA 0.495 5.054 4.556 0.005 0.000 0.313 985 H C -1.414 173.876 175.328 -0.063 0.000 1.023 985 H CA -0.598 55.417 56.048 -0.056 0.000 1.218 985 H CB 1.587 31.292 29.762 -0.095 0.000 1.403 985 H HN 0.404 nan 8.280 nan 0.000 0.477 986 V N 4.229 123.929 119.914 -0.357 0.000 2.513 986 V HA 0.516 4.639 4.120 0.004 0.000 0.299 986 V C -0.574 175.446 176.094 -0.124 0.000 1.035 986 V CA -0.914 61.268 62.300 -0.196 0.000 0.889 986 V CB 1.766 33.464 31.823 -0.208 0.000 0.988 986 V HN 0.559 nan 8.190 nan 0.000 0.440 987 L N 5.392 126.595 121.223 -0.033 0.000 2.298 987 L HA 0.488 4.830 4.340 0.004 0.000 0.284 987 L C -0.160 176.753 176.870 0.071 0.000 1.013 987 L CA -0.469 54.391 54.840 0.033 0.000 0.824 987 L CB 1.697 43.793 42.059 0.063 0.000 1.221 987 L HN 0.579 nan 8.230 nan 0.000 0.418 988 L N 5.553 126.843 121.223 0.112 0.000 2.363 988 L HA 0.378 4.721 4.340 0.004 0.000 0.286 988 L C -0.215 176.679 176.870 0.039 0.000 1.106 988 L CA -0.116 54.780 54.840 0.093 0.000 0.859 988 L CB 0.387 42.511 42.059 0.108 0.000 1.223 988 L HN 0.614 nan 8.230 nan 0.000 0.446 989 L N 3.181 124.418 121.223 0.023 0.000 2.472 989 L HA 0.291 4.634 4.340 0.004 0.000 0.256 989 L C 1.355 178.230 176.870 0.008 0.000 1.111 989 L CA -0.688 54.161 54.840 0.016 0.000 0.800 989 L CB 0.543 42.611 42.059 0.015 0.000 1.286 989 L HN 0.486 nan 8.230 nan 0.000 0.479 990 E N 0.308 120.513 120.200 0.008 0.000 2.085 990 E HA -0.227 4.125 4.350 0.004 0.000 0.194 990 E C 0.901 177.506 176.600 0.007 0.000 0.994 990 E CA 1.857 58.259 56.400 0.004 0.000 0.801 990 E CB 0.147 29.851 29.700 0.007 0.000 0.743 990 E HN 0.733 nan 8.360 nan 0.000 0.453 991 D N -1.226 119.182 120.400 0.014 0.000 2.455 991 D HA 0.037 4.679 4.640 0.004 0.000 0.228 991 D C 0.524 176.830 176.300 0.011 0.000 1.070 991 D CA 0.138 54.151 54.000 0.023 0.000 0.881 991 D CB 0.386 41.213 40.800 0.045 0.000 1.087 991 D HN 0.094 nan 8.370 nan 0.000 0.498 992 L N 0.573 121.788 121.223 -0.012 0.000 2.370 992 L HA 0.461 4.804 4.340 0.004 0.000 0.266 992 L C -1.200 175.626 176.870 -0.073 0.000 1.002 992 L CA -1.335 53.465 54.840 -0.067 0.000 0.818 992 L CB 2.796 44.779 42.059 -0.126 0.000 1.325 992 L HN -0.130 nan 8.230 nan 0.000 0.418 993 L N 3.624 124.779 121.223 -0.113 0.000 2.272 993 L HA 0.574 4.917 4.340 0.004 0.000 0.289 993 L C -0.357 176.409 176.870 -0.174 0.000 1.032 993 L CA -0.330 54.447 54.840 -0.106 0.000 0.810 993 L CB 1.617 43.607 42.059 -0.116 0.000 1.205 993 L HN 0.407 nan 8.230 nan 0.000 0.422 994 V N 4.796 124.632 119.914 -0.130 0.000 2.435 994 V HA 0.625 4.747 4.120 0.004 0.000 0.290 994 V C -0.593 175.423 176.094 -0.131 0.000 1.030 994 V CA -0.649 61.562 62.300 -0.148 0.000 0.881 994 V CB 1.492 33.248 31.823 -0.112 0.000 0.983 994 V HN 0.661 nan 8.190 nan 0.000 0.445 995 L N 6.323 127.464 121.223 -0.137 0.000 2.296 995 L HA 0.688 5.031 4.340 0.004 0.000 0.286 995 L C -0.432 176.431 176.870 -0.012 0.000 1.023 995 L CA -0.285 54.489 54.840 -0.110 0.000 0.812 995 L CB 1.397 43.346 42.059 -0.182 0.000 1.223 995 L HN 0.560 nan 8.230 nan 0.000 0.421 996 L N 2.914 124.141 121.223 0.007 0.000 2.388 996 L HA 0.519 4.861 4.340 0.004 0.000 0.264 996 L C -0.499 176.404 176.870 0.054 0.000 0.998 996 L CA -0.525 54.333 54.840 0.031 0.000 0.817 996 L CB 2.310 44.372 42.059 0.005 0.000 1.338 996 L HN 0.564 nan 8.230 nan 0.000 0.414 997 Q N 2.306 122.135 119.800 0.048 0.000 2.290 997 Q HA 0.278 4.621 4.340 0.004 0.000 0.259 997 Q C -0.914 175.092 176.000 0.009 0.000 0.941 997 Q CA -0.623 55.205 55.803 0.041 0.000 0.912 997 Q CB 1.673 30.436 28.738 0.041 0.000 1.244 997 Q HN 0.377 nan 8.270 nan 0.000 0.441 998 K N 3.522 123.924 120.400 0.003 0.000 2.273 998 K HA 0.066 4.388 4.320 0.004 0.000 0.287 998 K C 0.778 177.369 176.600 -0.016 0.000 1.089 998 K CA -0.105 56.167 56.287 -0.026 0.000 0.909 998 K CB 0.760 33.237 32.500 -0.039 0.000 1.123 998 K HN 0.650 nan 8.250 nan 0.000 0.473 999 Q N 1.580 121.369 119.800 -0.018 0.000 1.990 999 Q HA -0.162 4.180 4.340 0.004 0.000 0.200 999 Q C 0.646 176.638 176.000 -0.014 0.000 0.980 999 Q CA 1.914 57.710 55.803 -0.012 0.000 0.832 999 Q CB 0.210 28.942 28.738 -0.009 0.000 0.897 999 Q HN 0.732 nan 8.270 nan 0.000 0.427 1000 D N -2.270 118.119 120.400 -0.019 0.000 2.020 1000 D HA -0.069 4.573 4.640 0.004 0.000 0.321 1000 D C 0.058 176.343 176.300 -0.025 0.000 1.334 1000 D CA 0.188 54.176 54.000 -0.019 0.000 1.243 1000 D CB -0.167 40.626 40.800 -0.011 0.000 2.339 1000 D HN -0.084 nan 8.370 nan 0.000 0.357 1001 E N 0.271 120.459 120.200 -0.020 0.000 2.651 1001 E HA 0.420 4.772 4.350 0.004 0.000 0.208 1001 E C -1.008 175.581 176.600 -0.019 0.000 0.997 1001 E CA 0.101 56.490 56.400 -0.018 0.000 1.020 1001 E CB 0.648 30.343 29.700 -0.008 0.000 1.052 1001 E HN 0.093 nan 8.360 nan 0.000 0.465 1002 K N -0.355 120.029 120.400 -0.027 0.000 2.477 1002 K HA 0.563 4.886 4.320 0.004 0.000 0.255 1002 K C -1.191 175.383 176.600 -0.044 0.000 0.952 1002 K CA -0.697 55.575 56.287 -0.025 0.000 0.826 1002 K CB 1.805 34.298 32.500 -0.011 0.000 1.331 1002 K HN -0.078 nan 8.250 nan 0.000 0.437 1003 L N 3.506 124.702 121.223 -0.044 0.000 2.316 1003 L HA 0.465 4.808 4.340 0.004 0.000 0.280 1003 L C -0.862 175.997 176.870 -0.018 0.000 1.006 1003 L CA -0.666 54.139 54.840 -0.058 0.000 0.836 1003 L CB 1.008 43.000 42.059 -0.113 0.000 1.221 1003 L HN 0.375 nan 8.230 nan 0.000 0.418 1004 L N 4.682 125.903 121.223 -0.004 0.000 2.257 1004 L HA 0.398 4.740 4.340 0.004 0.000 0.290 1004 L C -0.331 176.559 176.870 0.035 0.000 1.044 1004 L CA -0.348 54.503 54.840 0.018 0.000 0.810 1004 L CB 1.305 43.377 42.059 0.021 0.000 1.193 1004 L HN 0.537 nan 8.230 nan 0.000 0.425 1005 L N 6.760 128.008 121.223 0.042 0.000 2.282 1005 L HA 0.337 4.680 4.340 0.004 0.000 0.287 1005 L C -0.253 176.662 176.870 0.075 0.000 1.075 1005 L CA -0.098 54.778 54.840 0.059 0.000 0.839 1005 L CB 0.139 42.234 42.059 0.060 0.000 1.219 1005 L HN 0.593 nan 8.230 nan 0.000 0.434 1006 K N 2.322 122.778 120.400 0.093 0.000 2.546 1006 K HA 0.494 4.817 4.320 0.004 0.000 0.264 1006 K C -1.078 175.599 176.600 0.128 0.000 0.937 1006 K CA -0.853 55.490 56.287 0.093 0.000 0.833 1006 K CB 1.338 33.876 32.500 0.062 0.000 1.378 1006 K HN 0.231 nan 8.250 nan 0.000 0.432 1022 F N 1.735 121.698 119.950 0.022 0.000 2.389 1022 F HA 0.625 5.154 4.527 0.003 0.000 0.337 1022 F C 1.520 177.470 175.800 0.249 0.000 1.112 1022 F CA -0.144 57.937 58.000 0.135 0.000 1.192 1022 F CB 1.474 40.627 39.000 0.255 0.000 1.185 1022 F HN 0.749 nan 8.300 nan 0.000 0.552 1023 S N 3.348 119.349 115.700 0.503 0.000 2.565 1023 S HA 0.241 4.714 4.470 0.004 0.000 0.276 1023 S C -1.446 173.413 174.600 0.432 0.000 1.326 1023 S CA -1.306 57.133 58.200 0.397 0.000 1.045 1023 S CB 0.863 64.255 63.200 0.320 0.000 0.918 1023 S HN 0.445 nan 8.310 nan 0.000 0.505 1024 P HA 0.147 nan 4.420 nan 0.000 0.239 1024 P C -0.345 176.920 177.300 -0.057 0.000 1.188 1024 P CA 0.259 63.451 63.100 0.152 0.000 0.794 1024 P CB 0.107 31.890 31.700 0.140 0.000 0.937 1025 V N 1.626 121.460 119.914 -0.133 0.000 2.417 1025 V HA 0.319 4.442 4.120 0.004 0.000 0.291 1025 V C 0.066 175.991 176.094 -0.281 0.000 1.024 1025 V CA -0.656 61.407 62.300 -0.395 0.000 0.861 1025 V CB 2.031 33.223 31.823 -1.052 0.000 0.985 1025 V HN -0.114 nan 8.190 nan 0.000 0.436 1026 L N 5.049 126.101 121.223 -0.286 0.000 2.325 1026 L HA 0.518 4.861 4.340 0.004 0.000 0.281 1026 L C 0.062 176.860 176.870 -0.120 0.000 1.004 1026 L CA -0.663 54.062 54.840 -0.192 0.000 0.823 1026 L CB 1.668 43.540 42.059 -0.311 0.000 1.236 1026 L HN 0.554 nan 8.230 nan 0.000 0.415 1027 K N 3.899 124.293 120.400 -0.010 0.000 2.379 1027 K HA 0.171 4.493 4.320 0.004 0.000 0.284 1027 K C 0.848 177.455 176.600 0.011 0.000 1.044 1027 K CA -0.199 56.110 56.287 0.037 0.000 0.974 1027 K CB 1.195 33.764 32.500 0.114 0.000 0.962 1027 K HN 0.589 nan 8.250 nan 0.000 0.474 1028 L N 2.432 123.657 121.223 0.003 0.000 2.201 1028 L HA -0.206 4.136 4.340 0.004 0.000 0.212 1028 L C 1.754 178.630 176.870 0.011 0.000 1.105 1028 L CA 0.933 55.772 54.840 -0.002 0.000 0.775 1028 L CB -0.539 41.518 42.059 -0.004 0.000 0.913 1028 L HN 0.723 nan 8.230 nan 0.000 0.440 1029 N N 0.890 119.603 118.700 0.022 0.000 2.453 1029 N HA -0.120 4.623 4.740 0.004 0.000 0.183 1029 N C 0.922 176.449 175.510 0.028 0.000 1.041 1029 N CA 1.198 54.262 53.050 0.024 0.000 0.900 1029 N CB -0.118 38.386 38.487 0.028 0.000 0.961 1029 N HN 0.182 nan 8.380 nan 0.000 0.443 1030 A N -0.023 122.817 122.820 0.033 0.000 2.749 1030 A HA 0.566 4.889 4.320 0.004 0.000 0.299 1030 A C -0.151 177.459 177.584 0.043 0.000 1.105 1030 A CA -0.412 51.650 52.037 0.041 0.000 0.987 1030 A CB -0.216 18.814 19.000 0.051 0.000 1.180 1030 A HN 0.204 nan 8.150 nan 0.000 0.528 1031 V N -3.337 116.598 119.914 0.035 0.000 3.130 1031 V HA 0.806 4.929 4.120 0.004 0.000 0.310 1031 V C -0.857 175.265 176.094 0.047 0.000 1.158 1031 V CA -1.116 61.210 62.300 0.043 0.000 1.029 1031 V CB 1.793 33.629 31.823 0.021 0.000 1.057 1031 V HN 0.167 nan 8.190 nan 0.000 0.436 1032 L N 2.127 123.391 121.223 0.067 0.000 2.370 1032 L HA 0.659 5.002 4.340 0.004 0.000 0.266 1032 L C -1.144 175.781 176.870 0.092 0.000 1.002 1032 L CA -0.832 54.049 54.840 0.069 0.000 0.818 1032 L CB 2.250 44.353 42.059 0.074 0.000 1.325 1032 L HN 0.488 nan 8.230 nan 0.000 0.418 1033 I N 2.221 122.833 120.570 0.071 0.000 2.339 1033 I HA 0.457 4.630 4.170 0.004 0.000 0.290 1033 I C -0.234 175.932 176.117 0.082 0.000 0.994 1033 I CA -0.356 60.993 61.300 0.081 0.000 1.191 1033 I CB 1.239 39.240 38.000 0.002 0.000 1.343 1033 I HN 0.625 nan 8.210 nan 0.000 0.458 1034 R N 3.556 124.137 120.500 0.134 0.000 2.439 1034 R HA 0.388 4.730 4.340 0.004 0.000 0.310 1034 R C -0.163 176.114 176.300 -0.037 0.000 0.955 1034 R CA -0.283 55.864 56.100 0.078 0.000 0.853 1034 R CB 1.597 31.998 30.300 0.167 0.000 1.171 1034 R HN 0.794 nan 8.270 nan 0.000 0.449 1035 S N 2.942 118.601 115.700 -0.068 0.000 2.562 1035 S HA 0.138 4.611 4.470 0.004 0.000 0.281 1035 S C 0.054 174.488 174.600 -0.277 0.000 1.333 1035 S CA -0.596 57.534 58.200 -0.117 0.000 1.052 1035 S CB 0.780 63.943 63.200 -0.062 0.000 0.884 1035 S HN 0.347 nan 8.310 nan 0.000 0.506 1036 V N 5.556 125.240 119.914 -0.383 0.000 2.530 1036 V HA 0.355 4.477 4.120 0.004 0.000 0.282 1036 V C 1.630 177.616 176.094 -0.181 0.000 1.048 1036 V CA 0.107 62.128 62.300 -0.465 0.000 0.997 1036 V CB 0.042 31.575 31.823 -0.484 0.000 0.987 1036 V HN 1.147 nan 8.190 nan 0.000 0.477 1037 A N 4.700 127.456 122.820 -0.106 0.000 1.849 1037 A HA -0.191 4.132 4.320 0.004 0.000 0.217 1037 A C 2.231 179.801 177.584 -0.023 0.000 1.202 1037 A CA 2.645 54.660 52.037 -0.035 0.000 0.629 1037 A CB -0.936 18.067 19.000 0.005 0.000 0.834 1037 A HN 1.000 nan 8.150 nan 0.000 0.447 1038 T N -3.494 111.056 114.554 -0.008 0.000 3.067 1038 T HA 0.073 4.425 4.350 0.004 0.000 0.261 1038 T C 0.312 175.009 174.700 -0.004 0.000 1.110 1038 T CA 0.844 62.946 62.100 0.003 0.000 1.113 1038 T CB -0.038 68.843 68.868 0.022 0.000 0.917 1038 T HN 0.294 nan 8.240 nan 0.000 0.499 1039 D N 1.658 122.045 120.400 -0.021 0.000 2.440 1039 D HA 0.206 4.848 4.640 0.004 0.000 0.239 1039 D C 0.989 177.274 176.300 -0.026 0.000 1.084 1039 D CA -0.594 53.394 54.000 -0.020 0.000 0.843 1039 D CB 1.435 42.225 40.800 -0.018 0.000 1.097 1039 D HN 0.196 nan 8.370 nan 0.000 0.531 1040 K N 2.913 123.309 120.400 -0.007 0.000 2.504 1040 K HA 0.001 4.324 4.320 0.004 0.000 0.195 1040 K C 1.074 177.689 176.600 0.025 0.000 1.036 1040 K CA 0.282 56.572 56.287 0.004 0.000 0.984 1040 K CB 0.630 33.135 32.500 0.008 0.000 0.788 1040 K HN 0.280 nan 8.250 nan 0.000 0.488 1041 R N 0.131 120.643 120.500 0.020 0.000 2.279 1041 R HA 0.242 4.584 4.340 0.004 0.000 0.195 1041 R C 0.540 176.858 176.300 0.031 0.000 0.905 1041 R CA 0.255 56.377 56.100 0.037 0.000 1.044 1041 R CB 0.738 31.047 30.300 0.016 0.000 1.056 1041 R HN 0.177 nan 8.270 nan 0.000 0.535 1042 A N 0.890 123.697 122.820 -0.023 0.000 2.256 1042 A HA 0.674 4.997 4.320 0.004 0.000 0.318 1042 A C -0.599 176.945 177.584 -0.066 0.000 1.103 1042 A CA -0.444 51.516 52.037 -0.129 0.000 0.860 1042 A CB 0.489 19.419 19.000 -0.117 0.000 1.182 1042 A HN 0.202 nan 8.150 nan 0.000 0.501 1043 F N -2.335 117.531 119.950 -0.140 0.000 2.678 1043 F HA 0.766 5.295 4.527 0.003 0.000 0.308 1043 F C -1.736 174.070 175.800 0.010 0.000 1.118 1043 F CA -1.636 56.242 58.000 -0.203 0.000 0.959 1043 F CB 0.807 39.744 39.000 -0.105 0.000 1.305 1043 F HN 0.310 nan 8.300 nan 0.000 0.443 1044 F N 2.523 122.604 119.950 0.219 0.000 2.422 1044 F HA 0.692 5.221 4.527 0.003 0.000 0.333 1044 F C -0.070 175.854 175.800 0.207 0.000 1.095 1044 F CA -2.119 55.967 58.000 0.143 0.000 1.038 1044 F CB 1.649 40.717 39.000 0.113 0.000 1.156 1044 F HN 0.390 nan 8.300 nan 0.000 0.483 1045 I N 4.497 125.286 120.570 0.365 0.000 2.411 1045 I HA 0.356 4.528 4.170 0.004 0.000 0.284 1045 I C -0.869 175.395 176.117 0.245 0.000 1.012 1045 I CA -0.347 61.094 61.300 0.235 0.000 1.119 1045 I CB 1.254 39.308 38.000 0.089 0.000 1.261 1045 I HN 0.344 nan 8.210 nan 0.000 0.448 1046 I N 5.799 126.488 120.570 0.197 0.000 2.339 1046 I HA 0.288 4.461 4.170 0.004 0.000 0.290 1046 I C -0.144 176.059 176.117 0.143 0.000 0.994 1046 I CA -0.385 61.022 61.300 0.178 0.000 1.191 1046 I CB 1.131 39.218 38.000 0.145 0.000 1.343 1046 I HN 0.506 nan 8.210 nan 0.000 0.458 1047 C N 3.794 123.195 119.300 0.169 0.000 2.585 1047 C HA 0.262 4.725 4.460 0.004 0.000 0.406 1047 C C 1.788 176.834 174.990 0.092 0.000 1.312 1047 C CA -0.387 58.711 59.018 0.132 0.000 1.924 1047 C CB -0.187 27.657 27.740 0.174 0.000 2.578 1047 C HN 0.904 nan 8.230 nan 0.000 0.580 1048 T N -1.649 112.949 114.554 0.072 0.000 3.054 1048 T HA 0.064 4.416 4.350 0.004 0.000 0.255 1048 T C 0.457 175.185 174.700 0.047 0.000 1.035 1048 T CA -0.146 61.987 62.100 0.055 0.000 0.941 1048 T CB -0.189 68.708 68.868 0.049 0.000 1.026 1048 T HN 0.664 nan 8.240 nan 0.000 0.533 1049 S N 2.227 117.959 115.700 0.053 0.000 2.488 1049 S HA 0.281 4.753 4.470 0.004 0.000 0.278 1049 S C 0.972 175.595 174.600 0.038 0.000 1.259 1049 S CA -0.862 57.366 58.200 0.046 0.000 1.061 1049 S CB 1.346 64.579 63.200 0.055 0.000 0.910 1049 S HN 0.351 nan 8.310 nan 0.000 0.491 1050 K N 1.538 121.955 120.400 0.028 0.000 2.211 1050 K HA -0.065 4.258 4.320 0.004 0.000 0.204 1050 K C -0.030 176.579 176.600 0.016 0.000 1.047 1050 K CA 0.952 57.251 56.287 0.020 0.000 0.935 1050 K CB -0.434 32.075 32.500 0.015 0.000 0.728 1050 K HN 0.539 nan 8.250 nan 0.000 0.452 1051 L N 0.909 122.145 121.223 0.021 0.000 2.270 1051 L HA 0.313 4.655 4.340 0.004 0.000 0.286 1051 L C 0.083 176.970 176.870 0.029 0.000 1.059 1051 L CA -0.451 54.401 54.840 0.019 0.000 0.839 1051 L CB 1.395 43.465 42.059 0.018 0.000 1.221 1051 L HN 0.187 nan 8.230 nan 0.000 0.431 1052 G N 3.318 112.130 108.800 0.020 0.000 2.823 1052 G HA2 0.028 3.991 3.960 0.004 0.000 0.235 1052 G HA3 0.028 3.991 3.960 0.004 0.000 0.235 1052 G C -2.723 172.178 174.900 0.002 0.000 3.696 1052 G CA -1.023 44.093 45.100 0.028 0.000 0.652 1052 G HN 0.331 nan 8.290 nan 0.000 0.431 1053 P HA 0.157 nan 4.420 nan 0.000 0.272 1053 P C -2.125 175.130 177.300 -0.075 0.000 1.239 1053 P CA -0.635 62.430 63.100 -0.058 0.000 0.807 1053 P CB 0.154 31.802 31.700 -0.086 0.000 0.951 1054 P HA -0.096 nan 4.420 nan 0.000 0.157 1054 P C -0.559 176.696 177.300 -0.076 0.000 1.179 1054 P CA 0.953 64.019 63.100 -0.056 0.000 0.933 1054 P CB -0.830 30.836 31.700 -0.056 0.000 1.577 1055 Q N 0.947 120.709 119.800 -0.064 0.000 2.377 1055 Q HA 0.337 4.680 4.340 0.004 0.000 0.249 1055 Q C -0.006 176.067 176.000 0.120 0.000 1.005 1055 Q CA -0.196 55.566 55.803 -0.068 0.000 0.912 1055 Q CB 0.725 29.380 28.738 -0.138 0.000 1.223 1055 Q HN 0.328 nan 8.270 nan 0.000 0.459 1056 I N 3.327 123.970 120.570 0.121 0.000 2.354 1056 I HA 0.214 4.387 4.170 0.004 0.000 0.292 1056 I C -0.816 175.409 176.117 0.180 0.000 0.989 1056 I CA -0.933 60.445 61.300 0.131 0.000 1.188 1056 I CB 0.768 38.709 38.000 -0.098 0.000 1.342 1056 I HN 0.507 nan 8.210 nan 0.000 0.457 1057 Y N 4.459 124.834 120.300 0.124 0.000 2.383 1057 Y HA 0.223 4.775 4.550 0.003 0.000 0.344 1057 Y C 0.527 176.386 175.900 -0.068 0.000 0.986 1057 Y CA -0.486 57.589 58.100 -0.043 0.000 1.175 1057 Y CB 0.575 38.887 38.460 -0.247 0.000 1.152 1057 Y HN 0.490 nan 8.280 nan 0.000 0.511 1058 E N 4.772 125.017 120.200 0.075 0.000 2.146 1058 E HA 0.506 4.858 4.350 0.004 0.000 0.282 1058 E C -1.536 175.013 176.600 -0.085 0.000 0.989 1058 E CA -0.368 56.086 56.400 0.090 0.000 0.799 1058 E CB 0.533 30.302 29.700 0.114 0.000 1.088 1058 E HN 0.641 nan 8.360 nan 0.000 0.397 1059 L N 4.440 125.450 121.223 -0.356 0.000 2.386 1059 L HA 0.503 4.845 4.340 0.004 0.000 0.271 1059 L C -0.992 175.431 176.870 -0.744 0.000 0.993 1059 L CA -1.220 53.242 54.840 -0.629 0.000 0.819 1059 L CB 2.062 43.582 42.059 -0.898 0.000 1.294 1059 L HN 0.344 nan 8.230 nan 0.000 0.414 1060 V N 1.798 121.444 119.914 -0.447 0.000 2.417 1060 V HA 0.672 4.794 4.120 0.004 0.000 0.291 1060 V C 0.429 176.380 176.094 -0.238 0.000 1.024 1060 V CA -0.606 61.519 62.300 -0.292 0.000 0.861 1060 V CB 1.362 33.103 31.823 -0.137 0.000 0.985 1060 V HN 0.873 nan 8.190 nan 0.000 0.436 1061 A N 3.657 126.402 122.820 -0.124 0.000 2.257 1061 A HA 0.670 4.992 4.320 0.004 0.000 0.289 1061 A C 0.979 178.583 177.584 0.033 0.000 1.095 1061 A CA -0.419 51.616 52.037 -0.003 0.000 0.836 1061 A CB 0.336 19.447 19.000 0.186 0.000 1.111 1061 A HN 0.675 nan 8.150 nan 0.000 0.497 1062 L N 0.261 121.533 121.223 0.083 0.000 1.989 1062 L HA -0.028 4.314 4.340 0.004 0.000 0.211 1062 L C 1.795 178.705 176.870 0.066 0.000 1.071 1062 L CA 2.723 57.607 54.840 0.073 0.000 0.749 1062 L CB -1.391 40.728 42.059 0.100 0.000 0.890 1062 L HN 1.001 nan 8.230 nan 0.000 0.431 1063 T N -6.307 108.300 114.554 0.088 0.000 2.773 1063 T HA 0.337 4.689 4.350 0.004 0.000 0.278 1063 T C 1.081 175.830 174.700 0.081 0.000 1.011 1063 T CA 0.041 62.184 62.100 0.070 0.000 1.014 1063 T CB 1.175 70.081 68.868 0.063 0.000 1.293 1063 T HN 0.082 nan 8.240 nan 0.000 0.554 1064 S N 0.273 116.010 115.700 0.061 0.000 2.368 1064 S HA -0.133 4.340 4.470 0.004 0.000 0.224 1064 S C 2.272 176.912 174.600 0.066 0.000 1.029 1064 S CA 1.778 60.014 58.200 0.059 0.000 0.988 1064 S CB -1.126 62.095 63.200 0.036 0.000 0.838 1064 S HN 0.827 nan 8.310 nan 0.000 0.462 1065 S N 1.666 117.401 115.700 0.058 0.000 2.359 1065 S HA -0.225 4.248 4.470 0.004 0.000 0.224 1065 S C 1.739 176.389 174.600 0.084 0.000 1.035 1065 S CA 1.969 60.200 58.200 0.052 0.000 1.018 1065 S CB -1.199 62.025 63.200 0.040 0.000 0.876 1065 S HN 0.683 nan 8.310 nan 0.000 0.448 1066 D N 0.851 121.332 120.400 0.135 0.000 2.123 1066 D HA -0.128 4.514 4.640 0.004 0.000 0.196 1066 D C 2.083 178.590 176.300 0.344 0.000 0.992 1066 D CA 1.281 55.428 54.000 0.246 0.000 0.833 1066 D CB -0.261 40.706 40.800 0.278 0.000 0.954 1066 D HN 0.378 nan 8.370 nan 0.000 0.455 1067 K N 0.402 120.958 120.400 0.259 0.000 2.026 1067 K HA -0.182 4.141 4.320 0.004 0.000 0.208 1067 K C 1.847 178.516 176.600 0.115 0.000 1.048 1067 K CA 1.227 57.675 56.287 0.268 0.000 0.929 1067 K CB -0.379 32.259 32.500 0.229 0.000 0.713 1067 K HN 0.097 nan 8.250 nan 0.000 0.439 1068 N N 0.131 118.869 118.700 0.064 0.000 2.005 1068 N HA -0.214 4.528 4.740 0.004 0.000 0.199 1068 N C 1.800 177.278 175.510 -0.054 0.000 1.054 1068 N CA 3.301 56.347 53.050 -0.006 0.000 0.864 1068 N CB -0.576 37.906 38.487 -0.008 0.000 1.063 1068 N HN 0.471 nan 8.380 nan 0.000 0.428 1069 T N -2.291 112.224 114.554 -0.065 0.000 2.788 1069 T HA -0.177 4.175 4.350 0.004 0.000 0.268 1069 T C 1.741 176.267 174.700 -0.289 0.000 1.044 1069 T CA 1.229 63.212 62.100 -0.195 0.000 1.139 1069 T CB -0.682 68.039 68.868 -0.245 0.000 0.867 1069 T HN 0.397 nan 8.240 nan 0.000 0.454 1070 W N 0.809 121.976 121.300 -0.221 0.000 2.358 1070 W HA 0.047 4.709 4.660 0.003 0.000 0.303 1070 W C 2.697 178.938 176.519 -0.462 0.000 1.208 1070 W CA 0.803 57.975 57.345 -0.287 0.000 1.274 1070 W CB -0.215 29.131 29.460 -0.189 0.000 1.138 1070 W HN 0.173 nan 8.180 nan 0.000 0.515 1071 M N -0.199 119.248 119.600 -0.255 0.000 2.059 1071 M HA -0.202 4.281 4.480 0.004 0.000 0.259 1071 M C 1.942 178.128 176.300 -0.189 0.000 1.072 1071 M CA 1.714 56.833 55.300 -0.301 0.000 1.117 1071 M CB -1.486 30.978 32.600 -0.227 0.000 1.320 1071 M HN 0.069 nan 8.290 nan 0.000 0.408 1072 E N 0.401 120.503 120.200 -0.163 0.000 2.097 1072 E HA -0.215 4.138 4.350 0.004 0.000 0.196 1072 E C 2.081 178.587 176.600 -0.157 0.000 1.000 1072 E CA 1.338 57.653 56.400 -0.143 0.000 0.804 1072 E CB -0.293 29.323 29.700 -0.141 0.000 0.740 1072 E HN 0.490 nan 8.360 nan 0.000 0.454 1073 L N 0.173 121.268 121.223 -0.214 0.000 2.179 1073 L HA -0.144 4.199 4.340 0.004 0.000 0.208 1073 L C 2.390 179.179 176.870 -0.136 0.000 1.096 1073 L CA 0.168 54.878 54.840 -0.217 0.000 0.779 1073 L CB -0.202 41.632 42.059 -0.374 0.000 0.922 1073 L HN 0.127 nan 8.230 nan 0.000 0.443 1074 L N 0.035 121.191 121.223 -0.111 0.000 2.056 1074 L HA -0.159 4.183 4.340 0.004 0.000 0.207 1074 L C 2.515 179.350 176.870 -0.058 0.000 1.078 1074 L CA 1.728 56.535 54.840 -0.055 0.000 0.749 1074 L CB -0.809 41.213 42.059 -0.061 0.000 0.901 1074 L HN 0.281 nan 8.230 nan 0.000 0.433 1075 E N -0.897 119.256 120.200 -0.078 0.000 2.072 1075 E HA -0.263 4.089 4.350 0.004 0.000 0.191 1075 E C 1.955 178.526 176.600 -0.049 0.000 0.985 1075 E CA 1.118 57.484 56.400 -0.056 0.000 0.801 1075 E CB 0.057 29.720 29.700 -0.061 0.000 0.750 1075 E HN 0.445 nan 8.360 nan 0.000 0.452 1076 E N 1.303 121.465 120.200 -0.063 0.000 2.038 1076 E HA -0.205 4.148 4.350 0.004 0.000 0.195 1076 E C 1.940 178.514 176.600 -0.044 0.000 1.000 1076 E CA 1.579 57.946 56.400 -0.056 0.000 0.803 1076 E CB -0.225 29.432 29.700 -0.072 0.000 0.750 1076 E HN 0.208 nan 8.360 nan 0.000 0.448 1077 A N 0.110 122.902 122.820 -0.047 0.000 1.978 1077 A HA -0.145 4.178 4.320 0.004 0.000 0.220 1077 A C 2.500 180.072 177.584 -0.019 0.000 1.170 1077 A CA 1.625 53.643 52.037 -0.032 0.000 0.636 1077 A CB -0.707 18.275 19.000 -0.030 0.000 0.810 1077 A HN 0.243 nan 8.150 nan 0.000 0.448 1078 V N -0.560 119.343 119.914 -0.019 0.000 2.358 1078 V HA -0.215 3.908 4.120 0.004 0.000 0.246 1078 V C 2.620 178.710 176.094 -0.007 0.000 1.047 1078 V CA 2.202 64.497 62.300 -0.009 0.000 1.035 1078 V CB -0.686 31.133 31.823 -0.006 0.000 0.658 1078 V HN 0.539 nan 8.190 nan 0.000 0.452 1079 R N 0.401 120.894 120.500 -0.013 0.000 2.096 1079 R HA -0.116 4.226 4.340 0.004 0.000 0.235 1079 R C 1.994 178.288 176.300 -0.009 0.000 1.127 1079 R CA 1.672 57.765 56.100 -0.011 0.000 0.968 1079 R CB -0.231 30.059 30.300 -0.016 0.000 0.861 1079 R HN 0.513 nan 8.270 nan 0.000 0.440 1080 N N -0.126 118.567 118.700 -0.012 0.000 2.424 1080 N HA 0.052 4.794 4.740 0.004 0.000 0.178 1080 N C 0.186 175.694 175.510 -0.004 0.000 1.060 1080 N CA 0.599 53.643 53.050 -0.010 0.000 0.901 1080 N CB 0.186 38.664 38.487 -0.015 0.000 0.979 1080 N HN 0.160 nan 8.380 nan 0.000 0.451 1081 A N 0.000 122.819 122.820 -0.001 0.000 2.254 1081 A HA 0.000 4.323 4.320 0.004 0.000 0.244 1081 A CA 0.000 52.040 52.037 0.006 0.000 0.836 1081 A CB 0.000 19.004 19.000 0.007 0.000 0.831 1081 A HN 0.000 nan 8.150 nan 0.000 0.486