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 1so2_1_A DATA FIRST_RESID 659 DATA SEQUENCE LDLILVEEYD SLIEKMSNWN FPIFELVEKM GEKSGRILSQ VMYTLFQDTG DATA SEQUENCE LLEIFKIPTQ QFMNYFRALE NGYRDIPYHN RIHATDVLHA VWYLTTRPVP DATA SEQUENCE GLQQIHNGXX XXXXXXXXXX XXXGRIAYIS SKSCSNPDES YGCLSSNIPA DATA SEQUENCE LELMALYVAA AMHDYDHPGR TNAFLVATNA PQAVLYNDRS VLENHHAASA DATA SEQUENCE WNLYLSRPEY NFLLHLDHVE FKRFRFLVIE AILATDLKKH FDFLAEFNAK DATA SEQUENCE ANDVNSNGIE WSNENDRLLV CQVCIKLADI NGPAKVRDLH LKWTEGIVNE DATA SEQUENCE FYEQGDEEAN LGLPISPFMD RSSPQLAKLQ ESFITHIVGP LCNSYDAAGL DATA SEQUENCE LPGQWLEXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXSRRRIF DATA SEQUENCE CQLMHHLTEN HKIWK 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 659 L HA 0.000 nan 4.340 nan 0.000 0.249 659 L C 0.000 176.871 176.870 0.001 0.000 1.165 659 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 659 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 660 D N -0.540 119.861 120.400 0.001 0.000 4.600 660 D HA 0.074 4.713 4.640 -0.001 0.000 0.165 660 D C 1.908 178.212 176.300 0.007 0.000 0.731 660 D CA 2.413 56.414 54.000 0.003 0.000 1.594 660 D CB -1.338 39.463 40.800 0.003 0.000 0.978 660 D HN 2.195 nan 8.370 nan 0.000 0.494 661 L N -0.161 121.067 121.223 0.009 0.000 2.567 661 L HA 0.764 5.103 4.340 -0.001 0.000 0.225 661 L C 3.515 180.397 176.870 0.020 0.000 1.119 661 L CA 2.158 57.007 54.840 0.014 0.000 0.871 661 L CB -1.480 40.587 42.059 0.013 0.000 1.036 661 L HN 2.095 nan 8.230 nan 0.000 0.459 662 I N -2.050 118.530 120.570 0.017 0.000 3.059 662 I HA 0.196 4.365 4.170 -0.001 0.000 0.270 662 I C 2.325 178.460 176.117 0.031 0.000 1.238 662 I CA 1.516 62.828 61.300 0.021 0.000 1.478 662 I CB -0.387 37.621 38.000 0.013 0.000 1.097 662 I HN 0.482 nan 8.210 nan 0.000 0.455 663 L N 0.124 121.364 121.223 0.028 0.000 2.141 663 L HA -0.060 4.280 4.340 -0.001 0.000 0.209 663 L C 2.494 179.410 176.870 0.076 0.000 1.094 663 L CA 2.022 56.885 54.840 0.038 0.000 0.763 663 L CB -0.254 41.815 42.059 0.016 0.000 0.908 663 L HN 0.274 nan 8.230 nan 0.000 0.437 664 V N -1.049 118.905 119.914 0.067 0.000 2.407 664 V HA -0.155 3.964 4.120 -0.001 0.000 0.245 664 V C 2.351 178.518 176.094 0.122 0.000 1.041 664 V CA 1.488 63.847 62.300 0.098 0.000 1.040 664 V CB -0.648 31.211 31.823 0.059 0.000 0.671 664 V HN 0.404 nan 8.190 nan 0.000 0.455 665 E N 0.220 120.466 120.200 0.077 0.000 2.118 665 E HA -0.268 4.081 4.350 -0.001 0.000 0.195 665 E C 2.245 178.882 176.600 0.061 0.000 0.992 665 E CA 1.514 57.950 56.400 0.061 0.000 0.804 665 E CB -0.072 29.651 29.700 0.038 0.000 0.741 665 E HN 0.658 nan 8.360 nan 0.000 0.458 666 E N -0.242 120.001 120.200 0.070 0.000 2.047 666 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 666 E C 1.817 178.462 176.600 0.074 0.000 0.987 666 E CA 0.924 57.359 56.400 0.060 0.000 0.799 666 E CB -0.080 29.655 29.700 0.058 0.000 0.752 666 E HN 0.261 nan 8.360 nan 0.000 0.449 667 Y N 1.926 122.234 120.300 0.015 0.000 2.089 667 Y HA -0.237 4.312 4.550 -0.002 0.000 0.282 667 Y C 1.855 177.754 175.900 -0.002 0.000 1.139 667 Y CA 1.982 60.091 58.100 0.014 0.000 1.123 667 Y CB -0.158 38.324 38.460 0.036 0.000 0.980 667 Y HN 0.019 nan 8.280 nan 0.000 0.493 668 D N -0.777 119.668 120.400 0.075 0.000 2.182 668 D HA -0.200 4.439 4.640 -0.001 0.000 0.201 668 D C 2.272 178.523 176.300 -0.081 0.000 0.986 668 D CA 1.577 55.570 54.000 -0.011 0.000 0.847 668 D CB -0.319 40.535 40.800 0.090 0.000 0.942 668 D HN 0.367 nan 8.370 nan 0.000 0.467 669 S N 0.133 115.802 115.700 -0.052 0.000 2.345 669 S HA -0.100 4.370 4.470 -0.001 0.000 0.219 669 S C 1.863 176.415 174.600 -0.081 0.000 1.031 669 S CA 0.228 58.403 58.200 -0.041 0.000 0.984 669 S CB -0.248 62.947 63.200 -0.009 0.000 0.874 669 S HN 0.097 nan 8.310 nan 0.000 0.451 670 L N 2.132 123.280 121.223 -0.125 0.000 2.043 670 L HA -0.036 4.304 4.340 -0.001 0.000 0.212 670 L C 2.018 178.722 176.870 -0.277 0.000 1.075 670 L CA 1.696 56.434 54.840 -0.169 0.000 0.752 670 L CB -0.792 41.154 42.059 -0.188 0.000 0.891 670 L HN 0.329 nan 8.230 nan 0.000 0.432 671 I N -0.073 120.275 120.570 -0.370 0.000 2.286 671 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 671 I C 2.540 178.562 176.117 -0.158 0.000 1.115 671 I CA 1.494 62.578 61.300 -0.359 0.000 1.392 671 I CB -1.082 36.639 38.000 -0.465 0.000 1.065 671 I HN 0.558 nan 8.210 nan 0.000 0.418 672 E N 1.624 121.760 120.200 -0.106 0.000 2.047 672 E HA -0.233 4.117 4.350 -0.001 0.000 0.191 672 E C 2.036 178.650 176.600 0.023 0.000 0.987 672 E CA 1.326 57.716 56.400 -0.017 0.000 0.799 672 E CB 0.089 29.786 29.700 -0.005 0.000 0.752 672 E HN 0.484 nan 8.360 nan 0.000 0.449 673 K N -0.049 120.359 120.400 0.012 0.000 2.097 673 K HA -0.057 4.262 4.320 -0.001 0.000 0.205 673 K C 2.298 178.948 176.600 0.083 0.000 1.050 673 K CA 1.460 57.814 56.287 0.111 0.000 0.938 673 K CB -0.170 32.452 32.500 0.203 0.000 0.718 673 K HN 0.246 nan 8.250 nan 0.000 0.442 674 M N 0.890 120.343 119.600 -0.245 0.000 2.476 674 M HA -0.036 4.444 4.480 -0.001 0.000 0.262 674 M C 1.567 178.024 176.300 0.262 0.000 1.079 674 M CA 0.885 55.934 55.300 -0.418 0.000 1.104 674 M CB -0.088 32.094 32.600 -0.696 0.000 1.409 674 M HN -0.025 nan 8.290 nan 0.000 0.467 675 S N 0.906 116.755 115.700 0.248 0.000 2.584 675 S HA 0.017 4.486 4.470 -0.001 0.000 0.240 675 S C 0.509 175.392 174.600 0.471 0.000 0.975 675 S CA 0.429 58.850 58.200 0.368 0.000 0.949 675 S CB -0.451 62.870 63.200 0.202 0.000 0.761 675 S HN 0.438 nan 8.310 nan 0.000 0.536 676 N N 0.486 119.452 118.700 0.442 0.000 2.421 676 N HA 0.072 4.812 4.740 -0.001 0.000 0.285 676 N C 0.429 176.189 175.510 0.416 0.000 1.027 676 N CA -0.381 52.920 53.050 0.418 0.000 0.918 676 N CB 0.935 39.592 38.487 0.284 0.000 1.152 676 N HN 0.379 nan 8.380 nan 0.000 0.485 677 W N 3.894 125.217 121.300 0.038 0.000 2.335 677 W HA -0.097 4.563 4.660 -0.001 0.000 0.311 677 W C -0.004 176.541 176.519 0.044 0.000 1.213 677 W CA 0.860 58.031 57.345 -0.290 0.000 1.274 677 W CB 0.159 29.436 29.460 -0.304 0.000 1.148 677 W HN 0.422 nan 8.180 nan 0.000 0.498 678 N N 1.972 120.674 118.700 0.004 0.000 2.878 678 N HA -0.061 4.678 4.740 -0.001 0.000 0.282 678 N C -0.450 175.031 175.510 -0.049 0.000 1.284 678 N CA 0.006 52.977 53.050 -0.133 0.000 1.053 678 N CB -1.107 37.381 38.487 0.003 0.000 1.382 678 N HN -0.026 nan 8.380 nan 0.000 0.529 679 F N 3.879 123.677 119.950 -0.254 0.000 2.580 679 F HA 0.026 4.552 4.527 -0.002 0.000 0.398 679 F C -1.617 174.035 175.800 -0.246 0.000 1.023 679 F CA -2.269 55.559 58.000 -0.287 0.000 1.188 679 F CB 0.438 39.026 39.000 -0.686 0.000 1.005 679 F HN 0.140 nan 8.300 nan 0.000 0.546 680 P HA 0.023 nan 4.420 nan 0.000 0.235 680 P C 1.339 178.049 177.300 -0.983 0.000 1.765 680 P CA 0.327 63.120 63.100 -0.511 0.000 1.034 680 P CB -0.055 31.517 31.700 -0.213 0.000 1.984 681 I N 0.137 119.872 120.570 -1.390 0.000 2.361 681 I HA -0.244 3.925 4.170 -0.001 0.000 0.251 681 I C 1.342 176.967 176.117 -0.821 0.000 1.133 681 I CA 1.318 61.774 61.300 -1.407 0.000 1.413 681 I CB -0.079 37.266 38.000 -1.093 0.000 1.073 681 I HN -0.023 nan 8.210 nan 0.000 0.424 682 F N 1.089 120.778 119.950 -0.436 0.000 2.325 682 F HA -0.129 4.397 4.527 -0.002 0.000 0.299 682 F C 2.423 178.070 175.800 -0.255 0.000 1.090 682 F CA 1.007 58.812 58.000 -0.325 0.000 1.392 682 F CB -0.288 38.510 39.000 -0.337 0.000 1.053 682 F HN 0.060 nan 8.300 nan 0.000 0.521 683 E N 0.210 120.337 120.200 -0.121 0.000 2.072 683 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 683 E C 2.126 178.662 176.600 -0.107 0.000 0.985 683 E CA 0.977 57.316 56.400 -0.100 0.000 0.801 683 E CB -0.303 29.334 29.700 -0.105 0.000 0.750 683 E HN 0.249 nan 8.360 nan 0.000 0.452 684 L N 0.808 121.932 121.223 -0.165 0.000 2.012 684 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 684 L C 2.208 179.025 176.870 -0.088 0.000 1.073 684 L CA 1.482 56.263 54.840 -0.097 0.000 0.748 684 L CB -0.488 41.527 42.059 -0.073 0.000 0.891 684 L HN -0.043 nan 8.230 nan 0.000 0.431 685 V N 0.272 120.110 119.914 -0.127 0.000 2.255 685 V HA -0.357 3.762 4.120 -0.001 0.000 0.247 685 V C 2.644 178.704 176.094 -0.057 0.000 1.051 685 V CA 2.201 64.446 62.300 -0.092 0.000 1.018 685 V CB -0.831 30.934 31.823 -0.096 0.000 0.641 685 V HN 0.719 nan 8.190 nan 0.000 0.445 686 E N 0.917 121.086 120.200 -0.051 0.000 2.085 686 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 686 E C 2.249 178.826 176.600 -0.037 0.000 0.994 686 E CA 2.099 58.474 56.400 -0.041 0.000 0.801 686 E CB -0.192 29.483 29.700 -0.041 0.000 0.743 686 E HN 0.594 nan 8.360 nan 0.000 0.453 687 K N 0.788 121.165 120.400 -0.039 0.000 2.211 687 K HA -0.022 4.297 4.320 -0.001 0.000 0.203 687 K C 1.945 178.530 176.600 -0.025 0.000 1.050 687 K CA 1.543 57.813 56.287 -0.028 0.000 0.945 687 K CB -0.669 31.816 32.500 -0.024 0.000 0.732 687 K HN 0.264 nan 8.250 nan 0.000 0.451 688 M N -0.961 118.621 119.600 -0.029 0.000 2.419 688 M HA 0.134 4.613 4.480 -0.001 0.000 0.264 688 M C 1.998 178.284 176.300 -0.024 0.000 1.082 688 M CA 0.806 56.091 55.300 -0.026 0.000 1.119 688 M CB -0.163 32.419 32.600 -0.030 0.000 1.398 688 M HN 0.596 nan 8.290 nan 0.000 0.453 689 G N 1.610 110.394 108.800 -0.027 0.000 2.620 689 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.315 689 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.315 689 G C 0.596 175.482 174.900 -0.023 0.000 1.179 689 G CA 0.737 45.822 45.100 -0.024 0.000 0.971 689 G HN 0.537 nan 8.290 nan 0.000 0.544 690 E N 1.057 121.246 120.200 -0.019 0.000 2.481 690 E HA 0.104 4.454 4.350 -0.001 0.000 0.195 690 E C 1.748 178.338 176.600 -0.016 0.000 1.047 690 E CA 0.723 57.113 56.400 -0.016 0.000 0.867 690 E CB 0.089 29.780 29.700 -0.014 0.000 0.858 690 E HN 0.499 nan 8.360 nan 0.000 0.513 691 K N 0.410 120.799 120.400 -0.019 0.000 2.440 691 K HA 0.069 4.389 4.320 -0.001 0.000 0.206 691 K C 1.490 178.075 176.600 -0.024 0.000 1.025 691 K CA 0.093 56.369 56.287 -0.019 0.000 1.135 691 K CB 0.690 33.179 32.500 -0.019 0.000 0.856 691 K HN -0.023 nan 8.250 nan 0.000 0.502 692 S N -0.366 115.318 115.700 -0.027 0.000 2.547 692 S HA -0.061 4.408 4.470 -0.001 0.000 0.235 692 S C 1.766 176.344 174.600 -0.037 0.000 0.980 692 S CA 0.687 58.865 58.200 -0.036 0.000 0.941 692 S CB -0.120 63.057 63.200 -0.039 0.000 0.763 692 S HN 0.346 nan 8.310 nan 0.000 0.532 693 G N 1.256 110.039 108.800 -0.027 0.000 2.920 693 G HA2 0.088 4.047 3.960 -0.001 0.000 0.208 693 G HA3 0.088 4.047 3.960 -0.001 0.000 0.208 693 G C 1.238 176.123 174.900 -0.025 0.000 1.159 693 G CA -0.442 44.644 45.100 -0.023 0.000 0.784 693 G HN 0.493 nan 8.290 nan 0.000 0.535 694 R N -0.006 120.476 120.500 -0.030 0.000 2.546 694 R HA 0.319 4.658 4.340 -0.001 0.000 0.320 694 R C 1.428 177.705 176.300 -0.039 0.000 1.021 694 R CA -0.403 55.679 56.100 -0.030 0.000 1.088 694 R CB -0.064 30.221 30.300 -0.025 0.000 1.278 694 R HN 0.390 nan 8.270 nan 0.000 0.557 695 I N 0.974 121.513 120.570 -0.051 0.000 2.286 695 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 695 I C 1.830 177.903 176.117 -0.074 0.000 1.115 695 I CA 1.214 62.478 61.300 -0.060 0.000 1.392 695 I CB 0.210 38.165 38.000 -0.075 0.000 1.065 695 I HN 0.140 nan 8.210 nan 0.000 0.418 696 L N 0.655 121.822 121.223 -0.092 0.000 2.056 696 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 696 L C 2.719 179.527 176.870 -0.103 0.000 1.078 696 L CA 2.304 57.076 54.840 -0.114 0.000 0.749 696 L CB -0.679 41.296 42.059 -0.139 0.000 0.901 696 L HN 0.424 nan 8.230 nan 0.000 0.433 697 S N -1.931 113.732 115.700 -0.061 0.000 2.406 697 S HA -0.149 4.320 4.470 -0.001 0.000 0.228 697 S C 1.856 176.456 174.600 -0.000 0.000 1.020 697 S CA 0.546 58.724 58.200 -0.038 0.000 0.965 697 S CB -0.502 62.698 63.200 0.000 0.000 0.798 697 S HN 0.496 nan 8.310 nan 0.000 0.488 698 Q N 1.164 120.958 119.800 -0.009 0.000 2.046 698 Q HA 0.087 4.427 4.340 -0.001 0.000 0.200 698 Q C 2.562 178.575 176.000 0.022 0.000 0.975 698 Q CA 1.226 57.041 55.803 0.020 0.000 0.836 698 Q CB -0.971 27.762 28.738 -0.007 0.000 0.896 698 Q HN 0.529 nan 8.270 nan 0.000 0.428 699 V N 1.070 120.953 119.914 -0.053 0.000 2.490 699 V HA -0.238 3.881 4.120 -0.001 0.000 0.250 699 V C 2.382 178.395 176.094 -0.134 0.000 1.061 699 V CA 1.245 63.472 62.300 -0.122 0.000 1.064 699 V CB -0.472 31.262 31.823 -0.148 0.000 0.670 699 V HN 0.327 nan 8.190 nan 0.000 0.461 700 M N -1.160 118.366 119.600 -0.124 0.000 2.067 700 M HA -0.188 4.291 4.480 -0.001 0.000 0.260 700 M C 2.299 178.605 176.300 0.009 0.000 1.069 700 M CA 2.094 57.293 55.300 -0.169 0.000 1.117 700 M CB -0.997 31.280 32.600 -0.537 0.000 1.334 700 M HN 0.488 nan 8.290 nan 0.000 0.407 701 Y N 1.496 121.809 120.300 0.021 0.000 2.114 701 Y HA -0.273 4.276 4.550 -0.001 0.000 0.282 701 Y C 2.384 178.286 175.900 0.003 0.000 1.165 701 Y CA 2.502 60.601 58.100 -0.002 0.000 1.148 701 Y CB -0.701 37.784 38.460 0.043 0.000 0.972 701 Y HN 0.248 nan 8.280 nan 0.000 0.504 702 T N 1.346 115.970 114.554 0.116 0.000 2.684 702 T HA -0.225 4.124 4.350 -0.001 0.000 0.267 702 T C 2.010 176.674 174.700 -0.059 0.000 1.036 702 T CA 1.928 64.088 62.100 0.100 0.000 1.148 702 T CB -0.553 68.275 68.868 -0.067 0.000 0.863 702 T HN 0.330 nan 8.240 nan 0.000 0.436 703 L N -0.657 120.448 121.223 -0.197 0.000 2.072 703 L HA 0.037 4.376 4.340 -0.001 0.000 0.205 703 L C 2.267 179.122 176.870 -0.024 0.000 1.079 703 L CA 1.094 55.749 54.840 -0.308 0.000 0.752 703 L CB -0.482 41.243 42.059 -0.556 0.000 0.906 703 L HN 0.191 nan 8.230 nan 0.000 0.436 704 F N 0.357 120.181 119.950 -0.211 0.000 2.451 704 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 704 F C 2.616 178.295 175.800 -0.201 0.000 1.101 704 F CA 1.039 58.949 58.000 -0.150 0.000 1.436 704 F CB -0.281 38.558 39.000 -0.268 0.000 1.074 704 F HN 0.127 nan 8.300 nan 0.000 0.553 705 Q N 0.103 119.833 119.800 -0.116 0.000 2.250 705 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 705 Q C 1.727 177.720 176.000 -0.012 0.000 0.941 705 Q CA 1.475 57.167 55.803 -0.185 0.000 0.872 705 Q CB -0.204 28.294 28.738 -0.400 0.000 0.965 705 Q HN 0.431 nan 8.270 nan 0.000 0.480 706 D N -1.419 119.033 120.400 0.087 0.000 2.144 706 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 706 D C 1.423 177.808 176.300 0.141 0.000 0.978 706 D CA 1.794 55.894 54.000 0.168 0.000 0.833 706 D CB 0.007 40.903 40.800 0.160 0.000 0.961 706 D HN 0.370 nan 8.370 nan 0.000 0.470 707 T N -4.023 110.602 114.554 0.119 0.000 3.107 707 T HA 0.288 4.638 4.350 -0.001 0.000 0.249 707 T C 1.720 176.434 174.700 0.023 0.000 1.096 707 T CA 0.373 62.533 62.100 0.100 0.000 1.012 707 T CB 0.164 69.118 68.868 0.143 0.000 0.977 707 T HN 0.297 nan 8.240 nan 0.000 0.527 708 G N 1.377 110.173 108.800 -0.006 0.000 2.153 708 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.252 708 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.252 708 G C 0.665 175.536 174.900 -0.048 0.000 0.994 708 G CA 0.449 45.526 45.100 -0.038 0.000 0.698 708 G HN 0.558 nan 8.290 nan 0.000 0.521 709 L N -0.577 120.624 121.223 -0.037 0.000 2.201 709 L HA 0.057 4.396 4.340 -0.001 0.000 0.212 709 L C 2.961 179.921 176.870 0.150 0.000 1.105 709 L CA 1.189 56.043 54.840 0.024 0.000 0.775 709 L CB -0.328 41.626 42.059 -0.175 0.000 0.913 709 L HN 0.397 nan 8.230 nan 0.000 0.440 710 L N -1.011 120.259 121.223 0.080 0.000 2.093 710 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 710 L C 2.659 179.567 176.870 0.062 0.000 1.085 710 L CA 0.966 55.847 54.840 0.069 0.000 0.755 710 L CB -0.522 41.480 42.059 -0.094 0.000 0.904 710 L HN 0.266 nan 8.230 nan 0.000 0.435 711 E N 0.773 120.968 120.200 -0.008 0.000 2.015 711 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 711 E C 2.337 178.891 176.600 -0.075 0.000 0.991 711 E CA 1.208 57.588 56.400 -0.033 0.000 0.802 711 E CB -0.113 29.553 29.700 -0.057 0.000 0.759 711 E HN 0.431 nan 8.360 nan 0.000 0.447 712 I N 0.032 120.498 120.570 -0.174 0.000 2.145 712 I HA -0.290 3.879 4.170 -0.001 0.000 0.244 712 I C 1.554 177.364 176.117 -0.512 0.000 1.075 712 I CA 1.439 62.486 61.300 -0.422 0.000 1.332 712 I CB -0.257 37.320 38.000 -0.706 0.000 1.033 712 I HN 0.013 nan 8.210 nan 0.000 0.410 713 F N 1.008 121.015 119.950 0.094 0.000 2.668 713 F HA 0.212 4.738 4.527 -0.002 0.000 0.297 713 F C 0.411 176.334 175.800 0.206 0.000 1.124 713 F CA -0.548 57.536 58.000 0.140 0.000 1.353 713 F CB 0.091 39.188 39.000 0.161 0.000 0.992 713 F HN -0.157 nan 8.300 nan 0.000 0.524 714 K N 1.085 121.630 120.400 0.240 0.000 3.490 714 K HA -0.222 4.097 4.320 -0.001 0.000 0.273 714 K C -0.338 176.523 176.600 0.436 0.000 0.916 714 K CA 0.580 57.023 56.287 0.262 0.000 0.718 714 K CB -2.079 30.506 32.500 0.141 0.000 1.477 714 K HN 0.481 nan 8.250 nan 0.000 0.452 715 I N 3.018 123.800 120.570 0.354 0.000 2.396 715 I HA 0.075 4.245 4.170 -0.001 0.000 0.289 715 I C -1.250 175.037 176.117 0.284 0.000 1.056 715 I CA -1.902 59.626 61.300 0.379 0.000 1.365 715 I CB 0.656 38.913 38.000 0.429 0.000 1.407 715 I HN 0.018 nan 8.210 nan 0.000 0.509 716 P HA 0.091 nan 4.420 nan 0.000 0.276 716 P C 0.455 177.909 177.300 0.257 0.000 1.243 716 P CA -0.172 63.068 63.100 0.233 0.000 0.768 716 P CB 1.164 32.981 31.700 0.196 0.000 0.856 717 T N 2.003 116.678 114.554 0.202 0.000 2.684 717 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 717 T C 1.748 176.598 174.700 0.249 0.000 1.036 717 T CA 1.842 64.078 62.100 0.227 0.000 1.148 717 T CB -0.390 68.591 68.868 0.188 0.000 0.863 717 T HN 0.440 nan 8.240 nan 0.000 0.436 718 Q N 1.192 121.101 119.800 0.182 0.000 2.045 718 Q HA -0.174 4.165 4.340 -0.001 0.000 0.206 718 Q C 2.214 178.335 176.000 0.201 0.000 0.991 718 Q CA 1.901 57.798 55.803 0.156 0.000 0.851 718 Q CB -0.409 28.395 28.738 0.110 0.000 0.911 718 Q HN 0.529 nan 8.270 nan 0.000 0.418 719 Q N -1.210 118.732 119.800 0.236 0.000 2.297 719 Q HA 0.000 4.339 4.340 -0.001 0.000 0.204 719 Q C 1.613 177.833 176.000 0.366 0.000 0.962 719 Q CA 1.044 57.016 55.803 0.280 0.000 0.879 719 Q CB -0.248 28.640 28.738 0.252 0.000 0.947 719 Q HN 0.441 nan 8.270 nan 0.000 0.462 720 F N 0.240 120.305 119.950 0.191 0.000 2.084 720 F HA -0.187 4.339 4.527 -0.002 0.000 0.296 720 F C 1.725 177.581 175.800 0.094 0.000 1.111 720 F CA 1.122 59.117 58.000 -0.009 0.000 1.224 720 F CB 0.080 39.051 39.000 -0.049 0.000 0.991 720 F HN 0.033 nan 8.300 nan 0.000 0.471 721 M N 0.558 120.352 119.600 0.324 0.000 2.229 721 M HA -0.171 4.309 4.480 -0.001 0.000 0.264 721 M C 1.773 178.115 176.300 0.069 0.000 1.063 721 M CA 1.098 56.506 55.300 0.180 0.000 1.114 721 M CB -1.653 31.038 32.600 0.151 0.000 1.387 721 M HN 0.200 nan 8.290 nan 0.000 0.420 722 N N 0.051 118.826 118.700 0.124 0.000 2.069 722 N HA -0.204 4.536 4.740 -0.001 0.000 0.191 722 N C 1.726 177.223 175.510 -0.022 0.000 1.031 722 N CA 1.326 54.469 53.050 0.155 0.000 0.852 722 N CB -0.736 37.943 38.487 0.321 0.000 1.018 722 N HN 0.378 nan 8.380 nan 0.000 0.423 723 Y N 0.765 120.911 120.300 -0.257 0.000 2.089 723 Y HA -0.141 4.408 4.550 -0.001 0.000 0.282 723 Y C 1.963 177.423 175.900 -0.733 0.000 1.139 723 Y CA 1.470 59.137 58.100 -0.722 0.000 1.123 723 Y CB -0.757 37.322 38.460 -0.636 0.000 0.980 723 Y HN -0.086 nan 8.280 nan 0.000 0.493 724 F N 0.107 119.729 119.950 -0.546 0.000 2.365 724 F HA -0.088 4.439 4.527 -0.001 0.000 0.300 724 F C 2.431 177.997 175.800 -0.390 0.000 1.090 724 F CA 1.328 58.987 58.000 -0.569 0.000 1.408 724 F CB -0.501 38.155 39.000 -0.572 0.000 1.060 724 F HN -0.037 nan 8.300 nan 0.000 0.534 725 R N -0.184 120.211 120.500 -0.175 0.000 2.090 725 R HA -0.035 4.304 4.340 -0.001 0.000 0.228 725 R C 2.449 178.656 176.300 -0.156 0.000 1.110 725 R CA 1.076 57.113 56.100 -0.106 0.000 0.973 725 R CB -0.593 29.679 30.300 -0.047 0.000 0.869 725 R HN 0.258 nan 8.270 nan 0.000 0.440 726 A N 0.991 123.635 122.820 -0.292 0.000 1.930 726 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 726 A C 2.017 179.420 177.584 -0.303 0.000 1.175 726 A CA 0.832 52.694 52.037 -0.292 0.000 0.627 726 A CB -0.357 18.365 19.000 -0.462 0.000 0.815 726 A HN 0.214 nan 8.150 nan 0.000 0.443 727 L N 0.236 121.133 121.223 -0.544 0.000 2.017 727 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 727 L C 2.186 179.096 176.870 0.067 0.000 1.073 727 L CA 2.404 57.000 54.840 -0.406 0.000 0.745 727 L CB -0.722 40.945 42.059 -0.653 0.000 0.894 727 L HN 0.527 nan 8.230 nan 0.000 0.432 728 E N -0.251 119.970 120.200 0.035 0.000 2.048 728 E HA -0.274 4.075 4.350 -0.001 0.000 0.202 728 E C 1.593 178.305 176.600 0.186 0.000 1.021 728 E CA 1.621 58.103 56.400 0.137 0.000 0.825 728 E CB -0.329 29.384 29.700 0.021 0.000 0.756 728 E HN 0.550 nan 8.360 nan 0.000 0.454 729 N N 0.085 118.837 118.700 0.087 0.000 2.635 729 N HA -0.080 4.659 4.740 -0.001 0.000 0.191 729 N C 1.343 176.901 175.510 0.079 0.000 1.155 729 N CA 0.851 53.944 53.050 0.072 0.000 0.927 729 N CB -0.071 38.437 38.487 0.035 0.000 0.976 729 N HN 0.211 nan 8.380 nan 0.000 0.448 730 G N -1.350 107.534 108.800 0.140 0.000 2.838 730 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.210 730 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.210 730 G C 0.003 174.705 174.900 -0.331 0.000 1.153 730 G CA -0.181 44.884 45.100 -0.057 0.000 0.778 730 G HN 0.194 nan 8.290 nan 0.000 0.539 731 Y N 1.667 121.932 120.300 -0.059 0.000 2.335 731 Y HA 0.384 4.933 4.550 -0.001 0.000 0.331 731 Y C 1.209 177.087 175.900 -0.036 0.000 1.094 731 Y CA -0.593 57.477 58.100 -0.050 0.000 1.253 731 Y CB 0.770 39.225 38.460 -0.009 0.000 1.203 731 Y HN -0.071 nan 8.280 nan 0.000 0.508 732 R N 1.342 121.897 120.500 0.091 0.000 2.637 732 R HA 0.057 4.396 4.340 -0.001 0.000 0.269 732 R C -0.455 175.899 176.300 0.090 0.000 1.089 732 R CA -0.680 55.461 56.100 0.069 0.000 1.177 732 R CB 0.457 30.790 30.300 0.055 0.000 1.091 732 R HN 0.609 nan 8.270 nan 0.000 0.540 733 D N 2.984 123.419 120.400 0.058 0.000 2.522 733 D HA 0.167 4.806 4.640 -0.001 0.000 0.218 733 D C -0.422 175.904 176.300 0.043 0.000 1.149 733 D CA -0.145 53.881 54.000 0.044 0.000 0.981 733 D CB -0.174 40.642 40.800 0.027 0.000 1.041 733 D HN 0.384 nan 8.370 nan 0.000 0.518 734 I N -0.617 119.985 120.570 0.054 0.000 2.892 734 I HA 0.501 4.670 4.170 -0.001 0.000 0.306 734 I C -1.791 174.345 176.117 0.033 0.000 1.078 734 I CA -2.324 59.007 61.300 0.052 0.000 1.032 734 I CB 2.042 40.092 38.000 0.084 0.000 1.229 734 I HN -0.221 nan 8.210 nan 0.000 0.435 735 P HA -0.211 nan 4.420 nan 0.000 0.216 735 P C 0.786 178.104 177.300 0.029 0.000 1.150 735 P CA 1.849 64.949 63.100 -0.000 0.000 0.843 735 P CB 0.157 31.843 31.700 -0.024 0.000 0.787 736 Y N -1.064 119.143 120.300 -0.155 0.000 2.697 736 Y HA 0.197 4.746 4.550 -0.001 0.000 0.268 736 Y C 1.042 176.759 175.900 -0.305 0.000 1.092 736 Y CA 0.261 58.202 58.100 -0.265 0.000 1.304 736 Y CB -0.363 37.771 38.460 -0.542 0.000 1.446 736 Y HN -0.138 nan 8.280 nan 0.000 0.491 737 H N 2.045 121.059 119.070 -0.094 0.000 2.970 737 H HA 0.208 4.763 4.556 -0.001 0.000 0.226 737 H C -0.779 174.584 175.328 0.060 0.000 1.909 737 H CA -0.160 55.797 56.048 -0.152 0.000 1.388 737 H CB -0.910 28.537 29.762 -0.525 0.000 1.773 737 H HN 0.369 nan 8.280 nan 0.000 0.559 738 N N -1.186 117.579 118.700 0.108 0.000 2.890 738 N HA 0.251 4.990 4.740 -0.001 0.000 0.317 738 N C 0.759 176.137 175.510 -0.220 0.000 1.355 738 N CA -1.141 51.975 53.050 0.111 0.000 0.803 738 N CB 0.980 39.497 38.487 0.050 0.000 1.465 738 N HN 0.008 nan 8.380 nan 0.000 0.591 739 R N -0.367 119.948 120.500 -0.308 0.000 2.133 739 R HA -0.034 4.305 4.340 -0.001 0.000 0.247 739 R C 1.545 177.643 176.300 -0.337 0.000 1.151 739 R CA 1.899 57.696 56.100 -0.505 0.000 0.971 739 R CB -0.925 29.244 30.300 -0.218 0.000 0.866 739 R HN 0.575 nan 8.270 nan 0.000 0.447 740 I N -0.891 119.583 120.570 -0.161 0.000 2.252 740 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 740 I C 2.458 178.596 176.117 0.035 0.000 1.102 740 I CA 1.470 62.728 61.300 -0.070 0.000 1.385 740 I CB -0.376 37.594 38.000 -0.051 0.000 1.064 740 I HN 0.209 nan 8.210 nan 0.000 0.414 741 H N 1.405 120.432 119.070 -0.072 0.000 2.423 741 H HA -0.064 4.491 4.556 -0.001 0.000 0.297 741 H C 2.100 177.250 175.328 -0.297 0.000 1.075 741 H CA 1.491 57.331 56.048 -0.348 0.000 1.342 741 H CB 0.031 29.479 29.762 -0.523 0.000 1.395 741 H HN 0.278 nan 8.280 nan 0.000 0.530 742 A N -0.715 121.839 122.820 -0.443 0.000 1.898 742 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 742 A C 2.483 179.904 177.584 -0.272 0.000 1.181 742 A CA 1.855 53.642 52.037 -0.417 0.000 0.620 742 A CB -0.915 17.701 19.000 -0.640 0.000 0.819 742 A HN 0.538 nan 8.150 nan 0.000 0.442 743 T N -0.311 114.094 114.554 -0.248 0.000 2.821 743 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 743 T C 1.651 176.290 174.700 -0.101 0.000 1.046 743 T CA 1.627 63.639 62.100 -0.147 0.000 1.139 743 T CB -0.364 68.433 68.868 -0.119 0.000 0.871 743 T HN 0.630 nan 8.240 nan 0.000 0.454 744 D N 0.793 121.092 120.400 -0.170 0.000 2.097 744 D HA -0.092 4.548 4.640 -0.001 0.000 0.195 744 D C 2.055 178.254 176.300 -0.169 0.000 0.989 744 D CA 0.804 54.698 54.000 -0.176 0.000 0.827 744 D CB -0.247 40.322 40.800 -0.386 0.000 0.966 744 D HN 0.143 nan 8.370 nan 0.000 0.456 745 V N 0.540 120.277 119.914 -0.294 0.000 2.407 745 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 745 V C 2.432 178.490 176.094 -0.060 0.000 1.055 745 V CA 1.403 63.577 62.300 -0.211 0.000 1.049 745 V CB -0.560 31.101 31.823 -0.270 0.000 0.662 745 V HN 0.300 nan 8.190 nan 0.000 0.455 746 L N 0.072 121.277 121.223 -0.030 0.000 2.017 746 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 746 L C 2.536 179.437 176.870 0.051 0.000 1.073 746 L CA 2.319 57.175 54.840 0.026 0.000 0.745 746 L CB -1.104 40.945 42.059 -0.016 0.000 0.894 746 L HN 0.515 nan 8.230 nan 0.000 0.432 747 H N -0.226 118.831 119.070 -0.022 0.000 2.387 747 H HA -0.112 4.444 4.556 -0.001 0.000 0.299 747 H C 1.835 177.317 175.328 0.257 0.000 1.090 747 H CA 1.573 57.655 56.048 0.058 0.000 1.332 747 H CB 0.157 29.909 29.762 -0.017 0.000 1.386 747 H HN 0.485 nan 8.280 nan 0.000 0.516 748 A N 1.225 124.093 122.820 0.081 0.000 1.858 748 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 748 A C 2.882 180.583 177.584 0.195 0.000 1.190 748 A CA 2.561 54.685 52.037 0.145 0.000 0.617 748 A CB -1.153 17.917 19.000 0.116 0.000 0.827 748 A HN 0.404 nan 8.150 nan 0.000 0.443 749 V N -3.610 116.396 119.914 0.153 0.000 2.427 749 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 749 V C 2.253 178.509 176.094 0.269 0.000 1.051 749 V CA 1.724 64.143 62.300 0.198 0.000 1.048 749 V CB -1.508 30.451 31.823 0.227 0.000 0.666 749 V HN 0.758 nan 8.190 nan 0.000 0.456 750 W N 0.499 121.771 121.300 -0.047 0.000 2.358 750 W HA -0.198 4.461 4.660 -0.001 0.000 0.303 750 W C 2.473 178.938 176.519 -0.091 0.000 1.208 750 W CA 1.818 59.011 57.345 -0.253 0.000 1.274 750 W CB -0.582 28.578 29.460 -0.501 0.000 1.138 750 W HN 0.372 nan 8.180 nan 0.000 0.515 751 Y N 0.544 120.702 120.300 -0.237 0.000 2.163 751 Y HA -0.196 4.353 4.550 -0.002 0.000 0.288 751 Y C 2.315 178.043 175.900 -0.287 0.000 1.136 751 Y CA 2.396 60.214 58.100 -0.470 0.000 1.147 751 Y CB -0.562 37.810 38.460 -0.145 0.000 0.987 751 Y HN -0.108 nan 8.280 nan 0.000 0.509 752 L N -0.257 121.078 121.223 0.186 0.000 2.275 752 L HA -0.164 4.175 4.340 -0.001 0.000 0.215 752 L C 2.064 178.947 176.870 0.021 0.000 1.119 752 L CA 1.753 56.668 54.840 0.124 0.000 0.790 752 L CB -0.633 41.503 42.059 0.128 0.000 0.919 752 L HN 0.416 nan 8.230 nan 0.000 0.443 753 T N -6.422 108.118 114.554 -0.024 0.000 3.086 753 T HA 0.026 4.376 4.350 -0.001 0.000 0.250 753 T C 1.380 175.985 174.700 -0.159 0.000 1.074 753 T CA 0.614 62.700 62.100 -0.024 0.000 0.988 753 T CB 0.055 68.982 68.868 0.099 0.000 0.988 753 T HN 0.371 nan 8.240 nan 0.000 0.530 754 T N -1.636 112.703 114.554 -0.359 0.000 2.964 754 T HA 0.343 4.692 4.350 -0.001 0.000 0.250 754 T C 0.828 175.248 174.700 -0.467 0.000 0.982 754 T CA -0.608 61.229 62.100 -0.438 0.000 0.959 754 T CB 0.279 68.745 68.868 -0.670 0.000 1.141 754 T HN 0.056 nan 8.240 nan 0.000 0.494 755 R N 2.531 122.679 120.500 -0.587 0.000 2.582 755 R HA 0.447 4.786 4.340 -0.001 0.000 0.271 755 R C -2.779 173.322 176.300 -0.331 0.000 1.078 755 R CA -2.707 53.062 56.100 -0.552 0.000 1.127 755 R CB -0.706 29.094 30.300 -0.834 0.000 1.038 755 R HN 0.225 nan 8.270 nan 0.000 0.500 756 P HA -0.030 nan 4.420 nan 0.000 0.265 756 P C -0.728 176.524 177.300 -0.080 0.000 1.187 756 P CA 0.316 63.288 63.100 -0.214 0.000 0.766 756 P CB 0.514 31.938 31.700 -0.460 0.000 0.820 757 V N 5.994 125.945 119.914 0.062 0.000 2.483 757 V HA 0.322 4.441 4.120 -0.001 0.000 0.297 757 V C -2.323 173.776 176.094 0.009 0.000 1.027 757 V CA -2.279 60.029 62.300 0.014 0.000 0.855 757 V CB 1.969 33.756 31.823 -0.061 0.000 0.995 757 V HN 0.434 nan 8.190 nan 0.000 0.424 758 P HA 0.245 nan 4.420 nan 0.000 0.267 758 P C 1.089 178.149 177.300 -0.400 0.000 1.205 758 P CA 1.393 63.938 63.100 -0.926 0.000 0.765 758 P CB 0.827 31.407 31.700 -1.866 0.000 0.828 759 G N 2.233 111.033 108.800 0.001 0.000 2.328 759 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.256 759 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.256 759 G C 0.086 175.018 174.900 0.053 0.000 1.014 759 G CA 0.025 45.218 45.100 0.155 0.000 0.620 759 G HN 0.606 nan 8.290 nan 0.000 0.530 760 L N 1.834 123.053 121.223 -0.006 0.000 2.601 760 L HA 0.342 4.681 4.340 -0.001 0.000 0.277 760 L C 0.559 177.414 176.870 -0.024 0.000 1.219 760 L CA 0.166 54.995 54.840 -0.018 0.000 0.915 760 L CB 0.460 42.477 42.059 -0.069 0.000 1.160 760 L HN 0.322 nan 8.230 nan 0.000 0.494 761 Q N 5.011 124.802 119.800 -0.014 0.000 2.286 761 Q HA 0.217 4.556 4.340 -0.001 0.000 0.257 761 Q C -0.420 175.512 176.000 -0.114 0.000 0.941 761 Q CA -0.071 55.717 55.803 -0.025 0.000 0.912 761 Q CB 1.149 29.905 28.738 0.031 0.000 1.192 761 Q HN 0.627 nan 8.270 nan 0.000 0.410 762 Q N 1.692 121.433 119.800 -0.100 0.000 2.237 762 Q HA 0.402 4.741 4.340 -0.001 0.000 0.219 762 Q C 0.724 176.655 176.000 -0.116 0.000 0.999 762 Q CA -0.266 55.451 55.803 -0.144 0.000 0.959 762 Q CB 1.329 30.003 28.738 -0.106 0.000 1.173 762 Q HN 0.624 nan 8.270 nan 0.000 0.527 763 I N -1.921 118.566 120.570 -0.137 0.000 4.420 763 I HA 0.074 4.243 4.170 -0.001 0.000 0.292 763 I C -0.078 175.995 176.117 -0.074 0.000 1.153 763 I CA 0.050 61.300 61.300 -0.083 0.000 1.315 763 I CB 1.096 39.065 38.000 -0.052 0.000 1.616 763 I HN 0.583 nan 8.210 nan 0.000 0.450 764 H N 1.053 119.911 119.070 -0.354 0.000 3.188 764 H HA 0.364 4.919 4.556 -0.001 0.000 0.325 764 H C -1.221 173.716 175.328 -0.651 0.000 1.033 764 H CA -0.107 55.659 56.048 -0.469 0.000 1.443 764 H CB 0.956 30.402 29.762 -0.525 0.000 1.968 764 H HN 0.188 nan 8.280 nan 0.000 0.449 765 N N 2.477 121.040 118.700 -0.228 0.000 2.399 765 N HA 0.644 5.383 4.740 -0.001 0.000 0.295 765 N C 0.690 176.090 175.510 -0.183 0.000 1.048 765 N CA 0.087 52.990 53.050 -0.244 0.000 0.886 765 N CB 1.741 40.164 38.487 -0.107 0.000 1.185 765 N HN 1.110 nan 8.380 nan 0.000 0.487 783 R N 0.836 121.380 120.500 0.073 0.000 2.811 783 R HA 0.192 4.532 4.340 -0.001 0.000 0.265 783 R C -0.073 176.290 176.300 0.106 0.000 1.026 783 R CA -0.184 55.977 56.100 0.103 0.000 1.142 783 R CB 0.039 30.413 30.300 0.123 0.000 1.027 783 R HN 0.168 nan 8.270 nan 0.000 0.465 784 I N 3.113 123.772 120.570 0.149 0.000 2.436 784 I HA 0.070 4.239 4.170 -0.001 0.000 0.289 784 I C 0.713 176.859 176.117 0.049 0.000 1.083 784 I CA 0.140 61.493 61.300 0.090 0.000 1.372 784 I CB 0.033 38.120 38.000 0.146 0.000 1.408 784 I HN 0.574 nan 8.210 nan 0.000 0.516 785 A N 7.608 130.373 122.820 -0.090 0.000 2.302 785 A HA 0.636 4.955 4.320 -0.001 0.000 0.285 785 A C -1.112 176.266 177.584 -0.345 0.000 1.105 785 A CA -0.165 51.801 52.037 -0.117 0.000 0.816 785 A CB 0.504 19.408 19.000 -0.160 0.000 1.067 785 A HN 0.572 nan 8.150 nan 0.000 0.489 786 Y N 0.201 120.402 120.300 -0.166 0.000 2.477 786 Y HA 0.492 5.041 4.550 -0.001 0.000 0.347 786 Y C 0.551 176.380 175.900 -0.118 0.000 0.981 786 Y CA -0.693 57.317 58.100 -0.150 0.000 1.033 786 Y CB 1.618 39.932 38.460 -0.244 0.000 1.245 786 Y HN 0.814 nan 8.280 nan 0.000 0.455 787 I N -0.645 119.953 120.570 0.046 0.000 3.468 787 I HA 0.828 4.997 4.170 -0.001 0.000 0.299 787 I C -0.172 175.957 176.117 0.020 0.000 1.141 787 I CA -0.634 60.678 61.300 0.020 0.000 0.950 787 I CB 1.719 39.743 38.000 0.040 0.000 1.522 787 I HN 0.477 nan 8.210 nan 0.000 0.699 788 S N 1.033 116.736 115.700 0.005 0.000 2.584 788 S HA 0.226 4.695 4.470 -0.001 0.000 0.282 788 S C -0.779 173.816 174.600 -0.009 0.000 1.138 788 S CA -0.546 57.642 58.200 -0.020 0.000 0.987 788 S CB 0.946 64.130 63.200 -0.028 0.000 1.137 788 S HN 0.932 nan 8.310 nan 0.000 0.457 789 S N 3.121 118.800 115.700 -0.035 0.000 2.549 789 S HA 0.257 4.726 4.470 -0.001 0.000 0.286 789 S C 1.108 175.714 174.600 0.011 0.000 1.314 789 S CA 0.003 58.209 58.200 0.010 0.000 1.062 789 S CB 0.416 63.571 63.200 -0.076 0.000 0.865 789 S HN 0.743 nan 8.310 nan 0.000 0.498 790 K N 2.087 122.524 120.400 0.062 0.000 2.365 790 K HA 0.016 4.336 4.320 -0.001 0.000 0.197 790 K C 1.581 178.212 176.600 0.052 0.000 1.042 790 K CA 0.849 57.167 56.287 0.052 0.000 0.987 790 K CB 0.075 32.622 32.500 0.078 0.000 0.779 790 K HN 0.685 nan 8.250 nan 0.000 0.484 791 S N -0.106 115.637 115.700 0.073 0.000 2.634 791 S HA 0.103 4.572 4.470 -0.001 0.000 0.221 791 S C 0.482 175.081 174.600 -0.001 0.000 0.952 791 S CA -0.562 57.675 58.200 0.062 0.000 0.930 791 S CB -0.821 62.455 63.200 0.128 0.000 0.780 791 S HN 0.381 nan 8.310 nan 0.000 0.498 792 C N 0.304 119.573 119.300 -0.053 0.000 3.303 792 C HA 0.872 5.331 4.460 -0.001 0.000 0.340 792 C C -0.930 173.988 174.990 -0.120 0.000 1.274 792 C CA -0.147 58.803 59.018 -0.114 0.000 1.234 792 C CB 1.124 28.737 27.740 -0.213 0.000 1.532 792 C HN 0.654 nan 8.230 nan 0.000 0.483 793 S N 1.846 117.466 115.700 -0.133 0.000 2.570 793 S HA 0.602 5.071 4.470 -0.001 0.000 0.270 793 S C -1.669 172.842 174.600 -0.150 0.000 1.149 793 S CA -0.608 57.522 58.200 -0.117 0.000 0.837 793 S CB 1.246 64.401 63.200 -0.075 0.000 1.124 793 S HN 0.967 nan 8.310 nan 0.000 0.465 794 N N 2.296 120.923 118.700 -0.122 0.000 2.442 794 N HA 0.273 5.013 4.740 -0.001 0.000 0.265 794 N C -1.713 173.747 175.510 -0.082 0.000 1.138 794 N CA -1.303 51.672 53.050 -0.125 0.000 0.956 794 N CB 0.850 39.325 38.487 -0.019 0.000 1.067 794 N HN 0.456 nan 8.380 nan 0.000 0.474 795 P HA -0.170 nan 4.420 nan 0.000 0.216 795 P C -0.454 176.900 177.300 0.091 0.000 1.157 795 P CA 1.630 64.706 63.100 -0.039 0.000 0.880 795 P CB 0.287 31.938 31.700 -0.082 0.000 0.791 796 D N -6.140 114.388 120.400 0.214 0.000 2.692 796 D HA 0.372 5.011 4.640 -0.001 0.000 0.303 796 D C 0.678 177.092 176.300 0.190 0.000 1.278 796 D CA -0.336 53.768 54.000 0.174 0.000 0.852 796 D CB -0.304 40.600 40.800 0.172 0.000 1.375 796 D HN -0.127 nan 8.370 nan 0.000 0.453 797 E N -0.492 119.771 120.200 0.106 0.000 2.455 797 E HA -0.095 4.254 4.350 -0.001 0.000 0.202 797 E C 1.500 178.153 176.600 0.088 0.000 1.045 797 E CA 1.486 57.931 56.400 0.075 0.000 0.872 797 E CB -0.933 28.786 29.700 0.032 0.000 0.792 797 E HN 0.524 nan 8.360 nan 0.000 0.542 798 S N -1.953 113.821 115.700 0.125 0.000 2.593 798 S HA 0.253 4.722 4.470 -0.001 0.000 0.217 798 S C 0.403 175.055 174.600 0.088 0.000 0.966 798 S CA -0.301 57.956 58.200 0.095 0.000 0.914 798 S CB -0.444 62.757 63.200 0.001 0.000 0.776 798 S HN 0.521 nan 8.310 nan 0.000 0.523 799 Y N 0.298 120.698 120.300 0.166 0.000 2.675 799 Y HA 0.758 5.307 4.550 -0.001 0.000 0.328 799 Y C 0.836 176.729 175.900 -0.013 0.000 1.092 799 Y CA -0.398 57.737 58.100 0.058 0.000 1.190 799 Y CB 1.663 40.126 38.460 0.005 0.000 1.350 799 Y HN 0.242 nan 8.280 nan 0.000 0.525 800 G N -0.842 108.036 108.800 0.130 0.000 2.547 800 G HA2 0.503 4.463 3.960 -0.001 0.000 0.291 800 G HA3 0.503 4.463 3.960 -0.001 0.000 0.291 800 G C -1.928 172.929 174.900 -0.072 0.000 1.471 800 G CA -0.758 44.335 45.100 -0.011 0.000 0.798 800 G HN 0.976 nan 8.290 nan 0.000 0.504 801 C N 0.111 119.329 119.300 -0.137 0.000 2.712 801 C HA 0.696 5.155 4.460 -0.001 0.000 0.308 801 C C 1.625 176.483 174.990 -0.220 0.000 1.201 801 C CA -0.924 57.993 59.018 -0.168 0.000 1.554 801 C CB 0.619 28.256 27.740 -0.171 0.000 2.117 801 C HN 0.788 nan 8.230 nan 0.000 0.480 802 L N 2.303 123.401 121.223 -0.208 0.000 2.187 802 L HA -0.119 4.220 4.340 -0.001 0.000 0.213 802 L C 2.728 179.498 176.870 -0.167 0.000 1.100 802 L CA 1.972 56.661 54.840 -0.252 0.000 0.765 802 L CB -0.585 41.413 42.059 -0.102 0.000 0.904 802 L HN 1.018 nan 8.230 nan 0.000 0.437 803 S N -1.779 113.858 115.700 -0.105 0.000 2.469 803 S HA -0.109 4.360 4.470 -0.001 0.000 0.238 803 S C 1.868 176.483 174.600 0.025 0.000 0.998 803 S CA 1.162 59.347 58.200 -0.025 0.000 0.957 803 S CB -0.165 63.012 63.200 -0.038 0.000 0.764 803 S HN 0.316 nan 8.310 nan 0.000 0.514 804 S N 1.769 117.407 115.700 -0.103 0.000 2.524 804 S HA 0.210 4.679 4.470 -0.001 0.000 0.216 804 S C 1.271 175.719 174.600 -0.253 0.000 0.987 804 S CA 0.073 58.155 58.200 -0.197 0.000 0.909 804 S CB -0.242 62.823 63.200 -0.226 0.000 0.781 804 S HN 0.739 nan 8.310 nan 0.000 0.521 805 N N 0.118 118.706 118.700 -0.186 0.000 2.273 805 N HA 0.291 5.031 4.740 -0.001 0.000 0.192 805 N C -0.442 175.203 175.510 0.225 0.000 1.132 805 N CA 0.238 53.194 53.050 -0.156 0.000 0.887 805 N CB 0.838 38.800 38.487 -0.876 0.000 1.048 805 N HN 0.245 nan 8.380 nan 0.000 0.490 806 I N 3.021 123.723 120.570 0.220 0.000 2.382 806 I HA 0.323 4.492 4.170 -0.001 0.000 0.286 806 I C -2.336 173.806 176.117 0.041 0.000 1.002 806 I CA -2.377 59.041 61.300 0.196 0.000 1.135 806 I CB 1.820 39.900 38.000 0.134 0.000 1.288 806 I HN -0.259 nan 8.210 nan 0.000 0.448 807 P HA -0.066 nan 4.420 nan 0.000 0.267 807 P C 0.583 177.717 177.300 -0.276 0.000 1.201 807 P CA 0.104 62.825 63.100 -0.632 0.000 0.775 807 P CB 0.934 32.371 31.700 -0.437 0.000 0.854 808 A N 2.515 125.183 122.820 -0.253 0.000 1.892 808 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 808 A C 2.141 179.819 177.584 0.158 0.000 1.188 808 A CA 2.104 54.142 52.037 0.002 0.000 0.631 808 A CB -1.682 17.335 19.000 0.029 0.000 0.822 808 A HN 0.569 nan 8.150 nan 0.000 0.447 809 L N -0.231 121.136 121.223 0.239 0.000 2.079 809 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 809 L C 2.222 179.151 176.870 0.098 0.000 1.081 809 L CA 2.534 57.472 54.840 0.163 0.000 0.752 809 L CB -0.428 41.718 42.059 0.145 0.000 0.896 809 L HN 0.537 nan 8.230 nan 0.000 0.433 810 E N -0.870 119.340 120.200 0.017 0.000 2.152 810 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 810 E C 2.238 178.761 176.600 -0.129 0.000 0.983 810 E CA 1.078 57.454 56.400 -0.040 0.000 0.818 810 E CB -0.089 29.601 29.700 -0.018 0.000 0.758 810 E HN 0.519 nan 8.360 nan 0.000 0.467 811 L N 0.242 121.353 121.223 -0.187 0.000 2.179 811 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 811 L C 2.508 178.945 176.870 -0.722 0.000 1.096 811 L CA 0.486 55.044 54.840 -0.469 0.000 0.779 811 L CB -0.157 41.662 42.059 -0.399 0.000 0.922 811 L HN 0.244 nan 8.230 nan 0.000 0.443 812 M N -0.150 119.294 119.600 -0.260 0.000 2.175 812 M HA -0.175 4.305 4.480 -0.001 0.000 0.264 812 M C 2.320 178.742 176.300 0.203 0.000 1.063 812 M CA 1.874 57.175 55.300 0.003 0.000 1.119 812 M CB -0.040 32.690 32.600 0.216 0.000 1.377 812 M HN 0.228 nan 8.290 nan 0.000 0.415 813 A N 0.341 123.187 122.820 0.043 0.000 1.902 813 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 813 A C 1.980 179.452 177.584 -0.188 0.000 1.181 813 A CA 1.532 53.357 52.037 -0.353 0.000 0.623 813 A CB -0.970 17.712 19.000 -0.530 0.000 0.818 813 A HN 0.571 nan 8.150 nan 0.000 0.443 814 L N -0.965 120.141 121.223 -0.196 0.000 2.046 814 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 814 L C 2.340 179.260 176.870 0.083 0.000 1.077 814 L CA 1.835 56.602 54.840 -0.122 0.000 0.747 814 L CB -0.848 41.101 42.059 -0.183 0.000 0.896 814 L HN 0.566 nan 8.230 nan 0.000 0.432 815 Y N -2.049 118.339 120.300 0.146 0.000 2.145 815 Y HA -0.228 4.321 4.550 -0.001 0.000 0.286 815 Y C 2.490 178.542 175.900 0.253 0.000 1.145 815 Y CA 0.786 59.017 58.100 0.219 0.000 1.148 815 Y CB -0.401 38.244 38.460 0.308 0.000 0.981 815 Y HN -0.015 nan 8.280 nan 0.000 0.507 816 V N 0.132 120.341 119.914 0.493 0.000 2.407 816 V HA -0.342 3.777 4.120 -0.001 0.000 0.248 816 V C 2.510 178.761 176.094 0.262 0.000 1.055 816 V CA 1.711 64.282 62.300 0.453 0.000 1.049 816 V CB -1.113 31.074 31.823 0.606 0.000 0.662 816 V HN 0.487 nan 8.190 nan 0.000 0.455 817 A N -0.132 122.777 122.820 0.147 0.000 1.933 817 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 817 A C 2.416 180.104 177.584 0.173 0.000 1.175 817 A CA 1.970 54.066 52.037 0.099 0.000 0.628 817 A CB -0.666 18.341 19.000 0.011 0.000 0.814 817 A HN 0.565 nan 8.150 nan 0.000 0.444 818 A N -0.073 122.853 122.820 0.177 0.000 1.902 818 A HA 0.177 4.496 4.320 -0.001 0.000 0.217 818 A C 2.510 180.275 177.584 0.302 0.000 1.181 818 A CA 2.008 54.168 52.037 0.206 0.000 0.623 818 A CB -1.021 18.054 19.000 0.126 0.000 0.818 818 A HN 1.038 nan 8.150 nan 0.000 0.443 819 A N 0.147 123.096 122.820 0.214 0.000 1.902 819 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 819 A C 2.173 179.907 177.584 0.251 0.000 1.181 819 A CA 1.941 54.084 52.037 0.177 0.000 0.623 819 A CB -0.609 18.504 19.000 0.189 0.000 0.818 819 A HN 0.623 nan 8.150 nan 0.000 0.443 820 M N -0.307 119.431 119.600 0.230 0.000 2.502 820 M HA 0.068 4.547 4.480 -0.001 0.000 0.243 820 M C 1.689 178.084 176.300 0.158 0.000 1.130 820 M CA 0.820 56.215 55.300 0.159 0.000 1.055 820 M CB -0.587 32.011 32.600 -0.002 0.000 1.457 820 M HN 0.663 nan 8.290 nan 0.000 0.488 821 H N 0.125 119.271 119.070 0.126 0.000 2.518 821 H HA -0.085 4.470 4.556 -0.001 0.000 0.292 821 H C -0.064 175.200 175.328 -0.107 0.000 1.068 821 H CA 1.237 57.328 56.048 0.073 0.000 1.275 821 H CB -0.137 29.663 29.762 0.064 0.000 1.375 821 H HN 0.357 nan 8.280 nan 0.000 0.563 822 D N -0.102 119.946 120.400 -0.587 0.000 2.673 822 D HA -0.001 4.638 4.640 -0.001 0.000 0.278 822 D C -0.591 175.318 176.300 -0.653 0.000 1.393 822 D CA -0.514 52.975 54.000 -0.851 0.000 0.805 822 D CB -0.388 40.263 40.800 -0.249 0.000 1.110 822 D HN 0.277 nan 8.370 nan 0.000 0.476 823 Y N 2.341 122.227 120.300 -0.691 0.000 2.810 823 Y HA 0.015 4.564 4.550 -0.002 0.000 0.332 823 Y C 0.850 176.567 175.900 -0.305 0.000 1.243 823 Y CA 0.309 57.915 58.100 -0.824 0.000 1.537 823 Y CB 0.340 38.553 38.460 -0.411 0.000 1.265 823 Y HN 0.028 nan 8.280 nan 0.000 0.572 824 D N 2.809 122.630 120.400 -0.965 0.000 2.772 824 D HA -0.301 4.339 4.640 -0.001 0.000 0.233 824 D C -0.800 175.489 176.300 -0.018 0.000 1.143 824 D CA 0.872 54.574 54.000 -0.496 0.000 0.700 824 D CB -1.714 38.782 40.800 -0.506 0.000 1.076 824 D HN 0.744 nan 8.370 nan 0.000 0.430 825 H N -0.009 119.028 119.070 -0.054 0.000 2.803 825 H HA 0.181 4.737 4.556 -0.001 0.000 0.330 825 H C -1.495 173.868 175.328 0.058 0.000 1.057 825 H CA -0.613 55.502 56.048 0.112 0.000 1.458 825 H CB 1.365 31.172 29.762 0.074 0.000 1.470 825 H HN 0.142 nan 8.280 nan 0.000 0.560 826 P HA 0.084 nan 4.420 nan 0.000 0.245 826 P C 0.583 178.020 177.300 0.228 0.000 1.206 826 P CA 1.122 64.314 63.100 0.155 0.000 0.781 826 P CB 0.593 32.317 31.700 0.040 0.000 0.994 827 G N 0.024 109.127 108.800 0.506 0.000 2.136 827 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.242 827 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.242 827 G C 0.092 175.112 174.900 0.200 0.000 0.989 827 G CA -0.176 45.116 45.100 0.319 0.000 0.682 827 G HN 0.412 nan 8.290 nan 0.000 0.522 828 R N -0.011 120.591 120.500 0.170 0.000 2.854 828 R HA 0.723 5.062 4.340 -0.001 0.000 0.271 828 R C 0.960 177.307 176.300 0.078 0.000 0.996 828 R CA 0.141 56.218 56.100 -0.040 0.000 0.961 828 R CB 1.205 31.347 30.300 -0.264 0.000 1.182 828 R HN 0.313 nan 8.270 nan 0.000 0.479 829 T N -1.045 113.547 114.554 0.064 0.000 2.824 829 T HA 0.172 4.521 4.350 -0.001 0.000 0.277 829 T C 0.858 175.630 174.700 0.120 0.000 0.975 829 T CA -0.670 61.488 62.100 0.098 0.000 0.966 829 T CB 0.659 69.560 68.868 0.055 0.000 1.054 829 T HN 0.385 nan 8.240 nan 0.000 0.533 830 N N 0.494 119.244 118.700 0.083 0.000 2.142 830 N HA -0.046 4.693 4.740 -0.001 0.000 0.186 830 N C 2.231 177.788 175.510 0.078 0.000 1.023 830 N CA 1.454 54.542 53.050 0.065 0.000 0.852 830 N CB -0.997 37.521 38.487 0.053 0.000 0.998 830 N HN 0.814 nan 8.380 nan 0.000 0.424 831 A N 0.450 123.322 122.820 0.086 0.000 1.933 831 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 831 A C 2.090 179.722 177.584 0.080 0.000 1.175 831 A CA 0.915 52.994 52.037 0.069 0.000 0.628 831 A CB -0.855 18.185 19.000 0.065 0.000 0.814 831 A HN 0.322 nan 8.150 nan 0.000 0.444 832 F N 0.600 120.540 119.950 -0.017 0.000 2.084 832 F HA -0.109 4.417 4.527 -0.001 0.000 0.296 832 F C 1.913 177.704 175.800 -0.014 0.000 1.111 832 F CA 1.704 59.693 58.000 -0.018 0.000 1.224 832 F CB -0.303 38.686 39.000 -0.019 0.000 0.991 832 F HN 0.137 nan 8.300 nan 0.000 0.471 833 L N -0.485 120.805 121.223 0.113 0.000 2.042 833 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 833 L C 2.407 179.217 176.870 -0.101 0.000 1.076 833 L CA 1.242 56.080 54.840 -0.003 0.000 0.749 833 L CB -1.044 41.052 42.059 0.062 0.000 0.893 833 L HN 0.075 nan 8.230 nan 0.000 0.432 834 V N 0.078 119.960 119.914 -0.054 0.000 2.270 834 V HA -0.272 3.847 4.120 -0.001 0.000 0.245 834 V C 2.720 178.758 176.094 -0.094 0.000 1.043 834 V CA 1.874 64.144 62.300 -0.050 0.000 1.014 834 V CB -0.763 31.054 31.823 -0.011 0.000 0.645 834 V HN 0.488 nan 8.190 nan 0.000 0.447 835 A N 0.258 123.004 122.820 -0.125 0.000 2.019 835 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 835 A C 2.165 179.623 177.584 -0.209 0.000 1.164 835 A CA 2.144 54.095 52.037 -0.143 0.000 0.644 835 A CB -0.672 18.250 19.000 -0.129 0.000 0.805 835 A HN 0.655 nan 8.150 nan 0.000 0.449 836 T N -3.969 110.389 114.554 -0.326 0.000 3.145 836 T HA 0.148 4.497 4.350 -0.001 0.000 0.255 836 T C 0.361 174.945 174.700 -0.195 0.000 1.039 836 T CA 0.121 62.026 62.100 -0.324 0.000 0.928 836 T CB -0.427 68.098 68.868 -0.572 0.000 1.029 836 T HN 0.411 nan 8.240 nan 0.000 0.554 837 N N 1.626 120.240 118.700 -0.142 0.000 2.716 837 N HA -0.151 4.588 4.740 -0.001 0.000 0.250 837 N C 0.297 175.760 175.510 -0.078 0.000 1.033 837 N CA 0.823 53.820 53.050 -0.088 0.000 0.727 837 N CB -1.569 36.877 38.487 -0.068 0.000 0.950 837 N HN 0.905 nan 8.380 nan 0.000 0.541 838 A N 0.854 123.620 122.820 -0.089 0.000 2.531 838 A HA 0.216 4.535 4.320 -0.001 0.000 0.236 838 A C -0.094 177.468 177.584 -0.038 0.000 1.062 838 A CA -0.534 51.469 52.037 -0.058 0.000 0.760 838 A CB 0.316 19.292 19.000 -0.039 0.000 0.995 838 A HN 0.094 nan 8.150 nan 0.000 0.501 839 P HA -0.233 nan 4.420 nan 0.000 0.216 839 P C 1.145 178.425 177.300 -0.034 0.000 1.150 839 P CA 1.549 64.628 63.100 -0.035 0.000 0.843 839 P CB 0.110 31.791 31.700 -0.032 0.000 0.787 840 Q N -0.635 119.152 119.800 -0.022 0.000 2.124 840 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 840 Q C 2.338 178.400 176.000 0.104 0.000 0.977 840 Q CA 1.632 57.452 55.803 0.028 0.000 0.850 840 Q CB -0.443 28.280 28.738 -0.025 0.000 0.901 840 Q HN 0.222 nan 8.270 nan 0.000 0.429 841 A N -0.106 122.743 122.820 0.048 0.000 1.929 841 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 841 A C 2.215 179.825 177.584 0.043 0.000 1.176 841 A CA 0.976 53.048 52.037 0.060 0.000 0.628 841 A CB -0.385 18.623 19.000 0.013 0.000 0.816 841 A HN 0.205 nan 8.150 nan 0.000 0.444 842 V N -0.236 119.677 119.914 -0.001 0.000 2.427 842 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 842 V C 2.452 178.516 176.094 -0.050 0.000 1.051 842 V CA 1.748 64.035 62.300 -0.021 0.000 1.048 842 V CB -0.739 31.064 31.823 -0.033 0.000 0.666 842 V HN 0.558 nan 8.190 nan 0.000 0.456 843 L N -0.502 120.660 121.223 -0.100 0.000 2.083 843 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 843 L C 1.838 178.492 176.870 -0.360 0.000 1.083 843 L CA 2.030 56.717 54.840 -0.255 0.000 0.752 843 L CB -0.537 41.301 42.059 -0.368 0.000 0.899 843 L HN 0.421 nan 8.230 nan 0.000 0.433 844 Y N -0.026 120.280 120.300 0.009 0.000 2.571 844 Y HA 0.206 4.755 4.550 -0.001 0.000 0.275 844 Y C 0.841 176.750 175.900 0.014 0.000 1.179 844 Y CA -0.439 57.672 58.100 0.017 0.000 1.242 844 Y CB -0.171 38.300 38.460 0.019 0.000 1.126 844 Y HN 0.220 nan 8.280 nan 0.000 0.524 845 N N 1.221 119.973 118.700 0.087 0.000 2.708 845 N HA -0.269 4.471 4.740 -0.001 0.000 0.249 845 N C -0.645 174.908 175.510 0.071 0.000 1.097 845 N CA 1.618 54.705 53.050 0.061 0.000 0.710 845 N CB -1.069 37.450 38.487 0.053 0.000 1.032 845 N HN 0.551 nan 8.380 nan 0.000 0.551 846 D N -2.311 118.141 120.400 0.085 0.000 3.046 846 D HA -0.200 4.440 4.640 -0.001 0.000 0.210 846 D C 0.017 176.360 176.300 0.071 0.000 1.124 846 D CA 1.097 55.137 54.000 0.067 0.000 0.986 846 D CB -1.026 39.798 40.800 0.041 0.000 1.118 846 D HN 0.608 nan 8.370 nan 0.000 0.416 847 R N 0.231 120.786 120.500 0.092 0.000 2.229 847 R HA 0.483 4.822 4.340 -0.001 0.000 0.332 847 R C 0.493 176.821 176.300 0.046 0.000 0.989 847 R CA -0.313 55.831 56.100 0.073 0.000 0.842 847 R CB 1.148 31.495 30.300 0.079 0.000 1.119 847 R HN -0.094 nan 8.270 nan 0.000 0.456 848 S N 1.109 116.829 115.700 0.034 0.000 3.491 848 S HA -0.145 4.324 4.470 -0.001 0.000 0.371 848 S C 1.557 176.105 174.600 -0.087 0.000 0.980 848 S CA 0.433 58.635 58.200 0.003 0.000 1.204 848 S CB -1.355 61.853 63.200 0.013 0.000 0.915 848 S HN 0.543 nan 8.310 nan 0.000 0.482 849 V N 0.676 120.556 119.914 -0.056 0.000 2.231 849 V HA -0.303 3.816 4.120 -0.001 0.000 0.250 849 V C 2.311 178.253 176.094 -0.254 0.000 1.058 849 V CA 2.616 64.855 62.300 -0.102 0.000 1.022 849 V CB -0.588 31.241 31.823 0.011 0.000 0.640 849 V HN 0.690 nan 8.190 nan 0.000 0.445 850 L N -0.543 120.547 121.223 -0.221 0.000 2.012 850 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 850 L C 2.671 179.157 176.870 -0.639 0.000 1.073 850 L CA 1.822 56.414 54.840 -0.413 0.000 0.748 850 L CB -0.628 41.257 42.059 -0.290 0.000 0.891 850 L HN 0.349 nan 8.230 nan 0.000 0.431 851 E N -0.163 119.890 120.200 -0.245 0.000 2.110 851 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 851 E C 1.992 178.503 176.600 -0.150 0.000 0.988 851 E CA 0.888 57.259 56.400 -0.048 0.000 0.804 851 E CB -0.199 29.545 29.700 0.073 0.000 0.745 851 E HN 0.349 nan 8.360 nan 0.000 0.458 852 N N -0.157 118.348 118.700 -0.325 0.000 2.142 852 N HA -0.166 4.573 4.740 -0.001 0.000 0.186 852 N C 1.789 177.030 175.510 -0.448 0.000 1.023 852 N CA 1.233 54.002 53.050 -0.468 0.000 0.852 852 N CB -0.288 37.605 38.487 -0.990 0.000 0.998 852 N HN 0.291 nan 8.380 nan 0.000 0.424 853 H N 0.659 119.370 119.070 -0.599 0.000 2.357 853 H HA -0.043 4.512 4.556 -0.001 0.000 0.301 853 H C 1.818 177.101 175.328 -0.075 0.000 1.082 853 H CA 1.740 57.641 56.048 -0.246 0.000 1.342 853 H CB -0.061 29.572 29.762 -0.215 0.000 1.389 853 H HN 0.296 nan 8.280 nan 0.000 0.511 854 H N -0.285 118.736 119.070 -0.083 0.000 2.321 854 H HA -0.038 4.517 4.556 -0.001 0.000 0.300 854 H C 2.388 177.704 175.328 -0.019 0.000 1.087 854 H CA 1.415 57.438 56.048 -0.042 0.000 1.319 854 H CB -0.927 28.859 29.762 0.039 0.000 1.379 854 H HN 0.563 nan 8.280 nan 0.000 0.501 855 A N 1.259 124.157 122.820 0.129 0.000 1.898 855 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 855 A C 2.715 180.427 177.584 0.214 0.000 1.181 855 A CA 1.847 53.984 52.037 0.166 0.000 0.620 855 A CB -0.851 18.260 19.000 0.186 0.000 0.819 855 A HN 0.443 nan 8.150 nan 0.000 0.442 856 A N -0.667 122.240 122.820 0.145 0.000 1.898 856 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 856 A C 2.444 180.124 177.584 0.160 0.000 1.181 856 A CA 2.024 54.181 52.037 0.200 0.000 0.620 856 A CB -0.826 18.315 19.000 0.236 0.000 0.819 856 A HN 0.440 nan 8.150 nan 0.000 0.442 857 S N -0.195 115.525 115.700 0.034 0.000 2.368 857 S HA 0.002 4.471 4.470 -0.001 0.000 0.224 857 S C 2.257 176.842 174.600 -0.024 0.000 1.029 857 S CA 1.116 59.350 58.200 0.058 0.000 0.988 857 S CB -0.373 62.849 63.200 0.038 0.000 0.838 857 S HN 0.775 nan 8.310 nan 0.000 0.462 858 A N 0.005 122.707 122.820 -0.196 0.000 1.968 858 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 858 A C 1.788 179.248 177.584 -0.207 0.000 1.169 858 A CA 0.783 52.547 52.037 -0.454 0.000 0.638 858 A CB -0.810 17.888 19.000 -0.504 0.000 0.812 858 A HN 0.671 nan 8.150 nan 0.000 0.446 859 W N -0.141 121.172 121.300 0.022 0.000 2.476 859 W HA -0.058 4.602 4.660 -0.001 0.000 0.281 859 W C 2.209 178.803 176.519 0.124 0.000 1.230 859 W CA 0.978 58.364 57.345 0.067 0.000 1.287 859 W CB -0.120 29.361 29.460 0.035 0.000 1.108 859 W HN 0.505 nan 8.180 nan 0.000 0.567 860 N N 0.683 119.565 118.700 0.303 0.000 2.120 860 N HA -0.206 4.534 4.740 -0.001 0.000 0.188 860 N C 1.680 177.323 175.510 0.222 0.000 1.024 860 N CA 1.547 54.741 53.050 0.240 0.000 0.852 860 N CB -0.487 38.112 38.487 0.187 0.000 1.003 860 N HN 0.005 nan 8.380 nan 0.000 0.424 861 L N -0.242 121.081 121.223 0.168 0.000 2.017 861 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 861 L C 1.999 179.047 176.870 0.296 0.000 1.073 861 L CA 1.687 56.631 54.840 0.173 0.000 0.745 861 L CB -1.277 40.771 42.059 -0.017 0.000 0.894 861 L HN 0.337 nan 8.230 nan 0.000 0.432 862 Y N -0.241 120.140 120.300 0.135 0.000 2.165 862 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 862 Y C 1.967 177.951 175.900 0.140 0.000 1.155 862 Y CA 2.001 60.072 58.100 -0.049 0.000 1.164 862 Y CB -0.133 38.096 38.460 -0.386 0.000 0.978 862 Y HN 0.222 nan 8.280 nan 0.000 0.513 863 L N -0.013 121.411 121.223 0.335 0.000 2.591 863 L HA 0.018 4.357 4.340 -0.001 0.000 0.228 863 L C 2.129 179.063 176.870 0.107 0.000 1.133 863 L CA 0.696 55.664 54.840 0.214 0.000 0.880 863 L CB -0.325 41.901 42.059 0.277 0.000 1.033 863 L HN 0.251 nan 8.230 nan 0.000 0.450 864 S N -1.275 114.507 115.700 0.136 0.000 2.501 864 S HA 0.169 4.638 4.470 -0.001 0.000 0.220 864 S C 0.880 175.471 174.600 -0.016 0.000 0.997 864 S CA -0.197 58.057 58.200 0.089 0.000 0.919 864 S CB 0.228 63.518 63.200 0.149 0.000 0.778 864 S HN 0.207 nan 8.310 nan 0.000 0.523 865 R N 0.932 121.363 120.500 -0.115 0.000 2.604 865 R HA 0.373 4.712 4.340 -0.001 0.000 0.281 865 R C -2.536 173.555 176.300 -0.349 0.000 1.020 865 R CA -1.832 54.066 56.100 -0.336 0.000 0.899 865 R CB 1.293 31.131 30.300 -0.769 0.000 1.205 865 R HN 0.031 nan 8.270 nan 0.000 0.450 866 P HA -0.173 nan 4.420 nan 0.000 0.218 866 P C 0.777 177.940 177.300 -0.227 0.000 1.149 866 P CA 1.191 64.165 63.100 -0.211 0.000 0.817 866 P CB 0.339 31.952 31.700 -0.146 0.000 0.785 867 E N -0.172 119.853 120.200 -0.292 0.000 2.463 867 E HA -0.189 4.160 4.350 -0.001 0.000 0.201 867 E C 1.320 177.875 176.600 -0.075 0.000 1.045 867 E CA 0.906 57.185 56.400 -0.201 0.000 0.872 867 E CB -0.948 28.625 29.700 -0.212 0.000 0.797 867 E HN 0.467 nan 8.360 nan 0.000 0.538 868 Y N 0.478 120.695 120.300 -0.139 0.000 2.510 868 Y HA 0.082 4.631 4.550 -0.001 0.000 0.273 868 Y C 1.231 176.907 175.900 -0.374 0.000 1.119 868 Y CA -0.379 57.611 58.100 -0.183 0.000 1.286 868 Y CB 0.206 38.508 38.460 -0.265 0.000 1.061 868 Y HN -0.001 nan 8.280 nan 0.000 0.542 869 N N 1.930 120.456 118.700 -0.291 0.000 2.874 869 N HA -0.119 4.620 4.740 -0.001 0.000 0.316 869 N C 0.455 175.916 175.510 -0.081 0.000 1.205 869 N CA 0.098 52.938 53.050 -0.349 0.000 1.180 869 N CB -0.859 37.479 38.487 -0.249 0.000 1.450 869 N HN 0.346 nan 8.380 nan 0.000 0.528 870 F N -0.497 119.494 119.950 0.067 0.000 2.780 870 F HA 0.252 4.779 4.527 -0.001 0.000 0.299 870 F C 0.663 176.571 175.800 0.180 0.000 1.146 870 F CA 0.091 58.195 58.000 0.173 0.000 1.428 870 F CB -0.079 39.113 39.000 0.320 0.000 1.115 870 F HN 0.120 nan 8.300 nan 0.000 0.583 871 L N 1.970 123.026 121.223 -0.279 0.000 2.741 871 L HA 0.115 4.454 4.340 -0.001 0.000 0.237 871 L C 1.636 178.441 176.870 -0.107 0.000 1.178 871 L CA -0.370 54.359 54.840 -0.186 0.000 0.973 871 L CB -0.077 41.782 42.059 -0.334 0.000 1.255 871 L HN 0.208 nan 8.230 nan 0.000 0.498 872 L N -2.431 118.696 121.223 -0.161 0.000 2.270 872 L HA -0.206 4.133 4.340 -0.001 0.000 0.217 872 L C 1.590 178.380 176.870 -0.133 0.000 1.107 872 L CA 1.689 56.405 54.840 -0.206 0.000 0.772 872 L CB -2.142 39.759 42.059 -0.263 0.000 0.902 872 L HN 0.325 nan 8.230 nan 0.000 0.439 873 H N -0.603 118.512 119.070 0.075 0.000 2.539 873 H HA 0.377 4.932 4.556 -0.001 0.000 0.267 873 H C 0.361 175.756 175.328 0.111 0.000 0.982 873 H CA -0.628 55.480 56.048 0.099 0.000 1.146 873 H CB 0.211 30.056 29.762 0.139 0.000 1.382 873 H HN 0.247 nan 8.280 nan 0.000 0.577 874 L N 2.289 123.609 121.223 0.161 0.000 2.326 874 L HA 0.115 4.455 4.340 -0.001 0.000 0.278 874 L C 0.240 177.192 176.870 0.137 0.000 1.092 874 L CA -0.865 54.061 54.840 0.143 0.000 0.810 874 L CB 0.760 42.864 42.059 0.074 0.000 1.153 874 L HN 0.340 nan 8.230 nan 0.000 0.439 875 D N -0.228 120.263 120.400 0.151 0.000 2.371 875 D HA -0.086 4.553 4.640 -0.001 0.000 0.242 875 D C 1.148 177.561 176.300 0.189 0.000 1.218 875 D CA -0.156 53.934 54.000 0.150 0.000 0.945 875 D CB 0.492 41.375 40.800 0.138 0.000 1.137 875 D HN 0.475 nan 8.370 nan 0.000 0.464 876 H N 0.754 119.877 119.070 0.088 0.000 2.353 876 H HA -0.138 4.418 4.556 -0.001 0.000 0.298 876 H C 1.666 177.068 175.328 0.123 0.000 1.103 876 H CA 1.744 57.855 56.048 0.104 0.000 1.293 876 H CB -0.105 29.692 29.762 0.058 0.000 1.372 876 H HN 0.284 nan 8.280 nan 0.000 0.501 877 V N 0.919 121.027 119.914 0.324 0.000 2.453 877 V HA -0.169 3.950 4.120 -0.001 0.000 0.247 877 V C 2.448 178.629 176.094 0.146 0.000 1.048 877 V CA 1.884 64.317 62.300 0.223 0.000 1.049 877 V CB -0.361 31.542 31.823 0.134 0.000 0.672 877 V HN 0.396 nan 8.190 nan 0.000 0.457 878 E N -0.629 119.657 120.200 0.144 0.000 2.072 878 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 878 E C 2.026 178.680 176.600 0.090 0.000 0.985 878 E CA 1.438 57.906 56.400 0.113 0.000 0.801 878 E CB -0.195 29.575 29.700 0.118 0.000 0.750 878 E HN 0.592 nan 8.360 nan 0.000 0.452 879 F N 2.096 122.032 119.950 -0.024 0.000 2.134 879 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 879 F C 2.206 177.973 175.800 -0.055 0.000 1.097 879 F CA 1.527 59.481 58.000 -0.078 0.000 1.264 879 F CB 0.032 38.936 39.000 -0.160 0.000 1.001 879 F HN -0.215 nan 8.300 nan 0.000 0.479 880 K N 0.265 120.604 120.400 -0.101 0.000 2.097 880 K HA -0.236 4.083 4.320 -0.001 0.000 0.206 880 K C 2.468 178.991 176.600 -0.128 0.000 1.049 880 K CA 1.466 57.658 56.287 -0.159 0.000 0.933 880 K CB -0.245 32.253 32.500 -0.004 0.000 0.717 880 K HN 0.276 nan 8.250 nan 0.000 0.442 881 R N -0.386 120.097 120.500 -0.029 0.000 2.090 881 R HA -0.119 4.220 4.340 -0.001 0.000 0.228 881 R C 2.159 178.497 176.300 0.063 0.000 1.110 881 R CA 1.128 57.264 56.100 0.059 0.000 0.973 881 R CB -0.328 30.019 30.300 0.078 0.000 0.869 881 R HN 0.200 nan 8.270 nan 0.000 0.440 882 F N 1.463 121.299 119.950 -0.190 0.000 2.134 882 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 882 F C 2.463 178.109 175.800 -0.256 0.000 1.097 882 F CA 1.910 59.778 58.000 -0.219 0.000 1.264 882 F CB -0.155 38.667 39.000 -0.298 0.000 1.001 882 F HN -0.050 nan 8.300 nan 0.000 0.479 883 R N -0.093 120.154 120.500 -0.422 0.000 2.081 883 R HA -0.224 4.115 4.340 -0.001 0.000 0.235 883 R C 2.209 178.291 176.300 -0.362 0.000 1.131 883 R CA 2.078 57.775 56.100 -0.672 0.000 0.960 883 R CB -1.257 28.406 30.300 -1.062 0.000 0.856 883 R HN 0.385 nan 8.270 nan 0.000 0.436 884 F N 0.767 120.514 119.950 -0.338 0.000 2.095 884 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 884 F C 1.548 177.253 175.800 -0.159 0.000 1.104 884 F CA 1.649 59.526 58.000 -0.205 0.000 1.232 884 F CB -0.410 38.502 39.000 -0.147 0.000 0.987 884 F HN 0.040 nan 8.300 nan 0.000 0.475 885 L N -0.456 120.513 121.223 -0.423 0.000 1.994 885 L HA -0.234 4.106 4.340 -0.001 0.000 0.208 885 L C 2.468 179.094 176.870 -0.406 0.000 1.071 885 L CA 1.314 55.861 54.840 -0.488 0.000 0.745 885 L CB -1.152 40.724 42.059 -0.305 0.000 0.892 885 L HN 0.036 nan 8.230 nan 0.000 0.431 886 V N 0.406 120.098 119.914 -0.369 0.000 2.252 886 V HA -0.338 3.781 4.120 -0.001 0.000 0.249 886 V C 2.381 178.438 176.094 -0.061 0.000 1.056 886 V CA 2.166 64.351 62.300 -0.192 0.000 1.022 886 V CB -0.419 31.385 31.823 -0.031 0.000 0.641 886 V HN 0.318 nan 8.190 nan 0.000 0.445 887 I N -0.369 120.182 120.570 -0.033 0.000 2.151 887 I HA -0.246 3.923 4.170 -0.001 0.000 0.243 887 I C 2.687 178.743 176.117 -0.102 0.000 1.080 887 I CA 1.571 62.863 61.300 -0.013 0.000 1.339 887 I CB -0.537 37.437 38.000 -0.043 0.000 1.039 887 I HN 0.342 nan 8.210 nan 0.000 0.409 888 E N 0.830 120.862 120.200 -0.279 0.000 2.118 888 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 888 E C 2.272 178.778 176.600 -0.156 0.000 0.992 888 E CA 1.500 57.740 56.400 -0.266 0.000 0.804 888 E CB -0.222 29.163 29.700 -0.524 0.000 0.741 888 E HN 0.548 nan 8.360 nan 0.000 0.458 889 A N 1.005 123.725 122.820 -0.167 0.000 1.872 889 A HA -0.085 4.234 4.320 -0.001 0.000 0.214 889 A C 2.333 179.871 177.584 -0.078 0.000 1.187 889 A CA 0.831 52.785 52.037 -0.138 0.000 0.614 889 A CB -0.576 18.347 19.000 -0.130 0.000 0.826 889 A HN 0.145 nan 8.150 nan 0.000 0.442 890 I N -0.168 120.396 120.570 -0.010 0.000 2.163 890 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 890 I C 2.271 178.438 176.117 0.084 0.000 1.085 890 I CA 1.245 62.592 61.300 0.079 0.000 1.347 890 I CB -0.320 37.762 38.000 0.136 0.000 1.044 890 I HN 0.270 nan 8.210 nan 0.000 0.408 891 L N 0.409 121.667 121.223 0.058 0.000 2.275 891 L HA -0.133 4.206 4.340 -0.001 0.000 0.215 891 L C 2.656 179.592 176.870 0.111 0.000 1.119 891 L CA 0.813 55.706 54.840 0.088 0.000 0.790 891 L CB -0.591 41.519 42.059 0.085 0.000 0.919 891 L HN 0.232 nan 8.230 nan 0.000 0.443 892 A N -0.124 122.701 122.820 0.009 0.000 2.172 892 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 892 A C 2.260 179.748 177.584 -0.160 0.000 1.154 892 A CA 1.719 53.630 52.037 -0.209 0.000 0.701 892 A CB -0.748 17.908 19.000 -0.574 0.000 0.789 892 A HN 0.509 nan 8.150 nan 0.000 0.465 893 T N -2.471 112.072 114.554 -0.017 0.000 3.148 893 T HA 0.020 4.369 4.350 -0.001 0.000 0.253 893 T C 0.476 175.264 174.700 0.146 0.000 1.134 893 T CA 0.390 62.520 62.100 0.050 0.000 1.051 893 T CB -0.371 68.558 68.868 0.102 0.000 0.959 893 T HN 0.313 nan 8.240 nan 0.000 0.525 894 D N 1.397 121.898 120.400 0.168 0.000 2.346 894 D HA 0.092 4.731 4.640 -0.001 0.000 0.260 894 D C 1.183 177.607 176.300 0.206 0.000 1.252 894 D CA -0.439 53.672 54.000 0.184 0.000 0.895 894 D CB 0.346 41.246 40.800 0.166 0.000 1.097 894 D HN 0.227 nan 8.370 nan 0.000 0.489 895 L N 3.653 124.995 121.223 0.199 0.000 2.261 895 L HA -0.184 4.155 4.340 -0.001 0.000 0.216 895 L C 2.361 179.366 176.870 0.226 0.000 1.114 895 L CA 0.932 55.891 54.840 0.199 0.000 0.777 895 L CB -0.278 41.890 42.059 0.181 0.000 0.910 895 L HN 0.465 nan 8.230 nan 0.000 0.440 896 K N 0.904 121.429 120.400 0.209 0.000 2.152 896 K HA -0.201 4.118 4.320 -0.001 0.000 0.206 896 K C 1.496 178.236 176.600 0.232 0.000 1.048 896 K CA 1.448 57.860 56.287 0.208 0.000 0.933 896 K CB 0.149 32.743 32.500 0.156 0.000 0.721 896 K HN 0.142 nan 8.250 nan 0.000 0.447 897 K N -1.036 119.509 120.400 0.241 0.000 2.410 897 K HA 0.008 4.327 4.320 -0.001 0.000 0.200 897 K C 1.000 177.775 176.600 0.293 0.000 1.023 897 K CA 0.058 56.475 56.287 0.217 0.000 1.149 897 K CB 0.225 32.839 32.500 0.191 0.000 0.859 897 K HN 0.228 nan 8.250 nan 0.000 0.514 898 H N 0.045 119.209 119.070 0.156 0.000 2.319 898 H HA -0.161 4.394 4.556 -0.001 0.000 0.297 898 H C 1.078 176.338 175.328 -0.112 0.000 1.097 898 H CA 2.054 58.089 56.048 -0.022 0.000 1.285 898 H CB -0.034 29.557 29.762 -0.285 0.000 1.368 898 H HN 0.206 nan 8.280 nan 0.000 0.495 899 F N 0.443 120.414 119.950 0.034 0.000 2.325 899 F HA -0.081 4.445 4.527 -0.001 0.000 0.299 899 F C 2.215 177.991 175.800 -0.041 0.000 1.090 899 F CA 0.953 58.932 58.000 -0.034 0.000 1.392 899 F CB -0.028 39.003 39.000 0.051 0.000 1.053 899 F HN 0.242 nan 8.300 nan 0.000 0.521 900 D N -0.008 120.453 120.400 0.102 0.000 2.097 900 D HA -0.155 4.485 4.640 -0.001 0.000 0.197 900 D C 2.246 178.507 176.300 -0.064 0.000 0.984 900 D CA 1.309 55.291 54.000 -0.030 0.000 0.826 900 D CB -0.724 39.975 40.800 -0.168 0.000 0.973 900 D HN 0.237 nan 8.370 nan 0.000 0.460 901 F N 0.758 120.686 119.950 -0.036 0.000 2.095 901 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 901 F C 2.359 178.136 175.800 -0.038 0.000 1.104 901 F CA 0.406 58.377 58.000 -0.047 0.000 1.232 901 F CB -0.278 38.668 39.000 -0.090 0.000 0.987 901 F HN -0.049 nan 8.300 nan 0.000 0.475 902 L N 0.495 121.754 121.223 0.060 0.000 2.046 902 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 902 L C 2.399 179.351 176.870 0.136 0.000 1.077 902 L CA 1.947 56.810 54.840 0.039 0.000 0.747 902 L CB -1.236 40.738 42.059 -0.141 0.000 0.896 902 L HN 0.064 nan 8.230 nan 0.000 0.432 903 A N -0.576 122.304 122.820 0.100 0.000 1.865 903 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 903 A C 2.131 179.766 177.584 0.084 0.000 1.191 903 A CA 2.030 54.120 52.037 0.088 0.000 0.623 903 A CB -0.796 18.245 19.000 0.067 0.000 0.826 903 A HN 0.626 nan 8.150 nan 0.000 0.444 904 E N -1.421 118.833 120.200 0.091 0.000 2.033 904 E HA -0.225 4.125 4.350 -0.001 0.000 0.199 904 E C 1.839 178.514 176.600 0.124 0.000 1.011 904 E CA 1.491 57.944 56.400 0.088 0.000 0.815 904 E CB -0.381 29.376 29.700 0.095 0.000 0.755 904 E HN 0.644 nan 8.360 nan 0.000 0.451 905 F N 2.478 122.454 119.950 0.043 0.000 2.091 905 F HA -0.263 4.263 4.527 -0.001 0.000 0.299 905 F C 1.956 177.758 175.800 0.003 0.000 1.103 905 F CA 1.568 59.584 58.000 0.026 0.000 1.228 905 F CB -0.264 38.766 39.000 0.051 0.000 0.984 905 F HN -0.068 nan 8.300 nan 0.000 0.477 906 N N 0.705 119.442 118.700 0.062 0.000 2.069 906 N HA -0.184 4.555 4.740 -0.001 0.000 0.191 906 N C 2.011 177.451 175.510 -0.116 0.000 1.031 906 N CA 1.650 54.669 53.050 -0.052 0.000 0.852 906 N CB -0.914 37.605 38.487 0.055 0.000 1.018 906 N HN 0.429 nan 8.380 nan 0.000 0.423 907 A N 1.058 123.842 122.820 -0.061 0.000 1.978 907 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 907 A C 2.170 179.685 177.584 -0.114 0.000 1.170 907 A CA 1.288 53.286 52.037 -0.065 0.000 0.636 907 A CB -0.191 18.791 19.000 -0.031 0.000 0.810 907 A HN 0.071 nan 8.150 nan 0.000 0.448 908 K N -1.003 119.296 120.400 -0.168 0.000 2.116 908 K HA 0.143 4.463 4.320 -0.001 0.000 0.203 908 K C 1.708 178.136 176.600 -0.287 0.000 1.052 908 K CA 1.357 57.516 56.287 -0.213 0.000 0.952 908 K CB -0.149 32.222 32.500 -0.216 0.000 0.729 908 K HN 0.476 nan 8.250 nan 0.000 0.446 909 A N -0.164 122.412 122.820 -0.406 0.000 2.242 909 A HA 0.120 4.440 4.320 -0.001 0.000 0.205 909 A C 1.403 178.829 177.584 -0.264 0.000 1.353 909 A CA -0.129 51.685 52.037 -0.371 0.000 1.005 909 A CB 0.273 18.953 19.000 -0.532 0.000 1.127 909 A HN 0.107 nan 8.150 nan 0.000 0.498 910 N N 0.817 119.366 118.700 -0.251 0.000 2.439 910 N HA 0.031 4.771 4.740 -0.001 0.000 0.176 910 N C -0.584 174.877 175.510 -0.082 0.000 1.029 910 N CA 0.330 53.298 53.050 -0.136 0.000 0.886 910 N CB -0.098 38.332 38.487 -0.095 0.000 1.057 910 N HN 0.306 nan 8.380 nan 0.000 0.437 911 D N 1.289 121.641 120.400 -0.081 0.000 2.400 911 D HA 0.054 4.693 4.640 -0.001 0.000 0.238 911 D C 0.578 176.849 176.300 -0.047 0.000 1.157 911 D CA -0.033 53.938 54.000 -0.049 0.000 0.889 911 D CB 1.255 42.030 40.800 -0.042 0.000 1.199 911 D HN -0.230 nan 8.370 nan 0.000 0.436 912 V N 2.772 122.668 119.914 -0.030 0.000 3.237 912 V HA 0.045 4.164 4.120 -0.001 0.000 0.305 912 V C 1.303 177.378 176.094 -0.031 0.000 1.096 912 V CA -0.276 62.007 62.300 -0.027 0.000 1.130 912 V CB 0.485 32.298 31.823 -0.017 0.000 1.048 912 V HN 0.693 nan 8.190 nan 0.000 0.484 913 N N -0.518 118.164 118.700 -0.029 0.000 1.678 913 N HA -0.208 4.531 4.740 -0.001 0.000 0.212 913 N C 0.825 176.311 175.510 -0.040 0.000 1.147 913 N CA 1.607 54.639 53.050 -0.029 0.000 4.069 913 N CB -1.293 37.178 38.487 -0.026 0.000 0.680 913 N HN 1.058 nan 8.380 nan 0.000 0.280 914 S N 3.026 118.696 115.700 -0.051 0.000 2.715 914 S HA -0.026 4.443 4.470 -0.001 0.000 0.318 914 S C 1.185 175.743 174.600 -0.070 0.000 1.242 914 S CA 0.377 58.536 58.200 -0.068 0.000 1.044 914 S CB 0.385 63.529 63.200 -0.093 0.000 0.760 914 S HN 0.330 nan 8.310 nan 0.000 0.501 915 N N 3.234 121.892 118.700 -0.070 0.000 2.381 915 N HA 0.141 4.880 4.740 -0.001 0.000 0.182 915 N C 1.208 176.668 175.510 -0.084 0.000 1.025 915 N CA 0.899 53.911 53.050 -0.064 0.000 0.888 915 N CB -0.809 37.644 38.487 -0.057 0.000 0.965 915 N HN 1.148 nan 8.380 nan 0.000 0.438 916 G N 0.643 109.371 108.800 -0.120 0.000 2.483 916 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.521 916 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.521 916 G C -1.134 173.633 174.900 -0.223 0.000 1.278 916 G CA -0.798 44.206 45.100 -0.161 0.000 0.965 916 G HN 0.015 nan 8.290 nan 0.000 0.504 917 I N 0.894 121.280 120.570 -0.307 0.000 2.416 917 I HA 0.347 4.516 4.170 -0.001 0.000 0.288 917 I C 0.562 176.361 176.117 -0.530 0.000 1.051 917 I CA -0.145 60.856 61.300 -0.497 0.000 1.375 917 I CB 1.000 38.519 38.000 -0.802 0.000 1.407 917 I HN 0.533 nan 8.210 nan 0.000 0.516 918 E N 5.123 125.071 120.200 -0.420 0.000 2.055 918 E HA 0.162 4.511 4.350 -0.001 0.000 0.274 918 E C 0.004 176.434 176.600 -0.284 0.000 0.949 918 E CA -0.156 56.089 56.400 -0.259 0.000 0.775 918 E CB 0.509 30.139 29.700 -0.117 0.000 1.097 918 E HN 0.409 nan 8.360 nan 0.000 0.404 919 W N 1.794 123.113 121.300 0.033 0.000 2.538 919 W HA -0.119 4.540 4.660 -0.001 0.000 0.254 919 W C 1.779 178.342 176.519 0.072 0.000 1.249 919 W CA 0.743 58.121 57.345 0.054 0.000 1.253 919 W CB 0.155 29.648 29.460 0.054 0.000 1.130 919 W HN 0.464 nan 8.180 nan 0.000 0.618 920 S N -1.102 114.715 115.700 0.194 0.000 2.575 920 S HA 0.031 4.500 4.470 -0.001 0.000 0.215 920 S C 0.559 175.220 174.600 0.101 0.000 0.966 920 S CA -0.270 58.026 58.200 0.159 0.000 0.911 920 S CB -0.288 62.986 63.200 0.123 0.000 0.780 920 S HN 0.154 nan 8.310 nan 0.000 0.514 921 N N 2.004 120.738 118.700 0.057 0.000 2.439 921 N HA 0.192 4.931 4.740 -0.001 0.000 0.249 921 N C 0.601 176.136 175.510 0.042 0.000 1.003 921 N CA -0.023 53.044 53.050 0.029 0.000 0.942 921 N CB 1.213 39.690 38.487 -0.018 0.000 1.115 921 N HN 0.332 nan 8.380 nan 0.000 0.505 922 E N 2.928 123.166 120.200 0.063 0.000 2.108 922 E HA -0.280 4.069 4.350 -0.001 0.000 0.203 922 E C 0.839 177.486 176.600 0.079 0.000 1.022 922 E CA 1.849 58.297 56.400 0.080 0.000 0.823 922 E CB 0.146 29.892 29.700 0.078 0.000 0.744 922 E HN 0.703 nan 8.360 nan 0.000 0.456 923 N N -0.076 118.662 118.700 0.062 0.000 2.309 923 N HA -0.130 4.609 4.740 -0.001 0.000 0.182 923 N C 1.255 176.789 175.510 0.040 0.000 1.018 923 N CA 0.838 53.927 53.050 0.066 0.000 0.876 923 N CB 0.016 38.536 38.487 0.054 0.000 0.972 923 N HN 0.120 nan 8.380 nan 0.000 0.434 924 D N 0.815 121.212 120.400 -0.006 0.000 2.123 924 D HA -0.016 4.623 4.640 -0.001 0.000 0.200 924 D C 1.964 178.234 176.300 -0.050 0.000 0.976 924 D CA 0.798 54.756 54.000 -0.071 0.000 0.831 924 D CB 0.070 40.759 40.800 -0.185 0.000 0.974 924 D HN 0.140 nan 8.370 nan 0.000 0.469 925 R N -0.056 120.449 120.500 0.008 0.000 2.080 925 R HA -0.120 4.219 4.340 -0.001 0.000 0.236 925 R C 2.227 178.583 176.300 0.093 0.000 1.137 925 R CA 0.753 56.913 56.100 0.101 0.000 0.943 925 R CB -0.618 29.778 30.300 0.159 0.000 0.846 925 R HN 0.168 nan 8.270 nan 0.000 0.431 926 L N 1.254 122.519 121.223 0.071 0.000 2.013 926 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 926 L C 2.162 179.059 176.870 0.044 0.000 1.073 926 L CA 1.583 56.449 54.840 0.043 0.000 0.753 926 L CB -0.687 41.404 42.059 0.054 0.000 0.890 926 L HN 0.148 nan 8.230 nan 0.000 0.432 927 L N -1.165 120.107 121.223 0.083 0.000 2.042 927 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 927 L C 2.371 179.307 176.870 0.111 0.000 1.076 927 L CA 1.973 56.889 54.840 0.126 0.000 0.749 927 L CB -0.766 41.395 42.059 0.170 0.000 0.893 927 L HN 0.148 nan 8.230 nan 0.000 0.432 928 V N -1.077 118.920 119.914 0.138 0.000 2.261 928 V HA -0.371 3.748 4.120 -0.001 0.000 0.246 928 V C 2.658 178.814 176.094 0.103 0.000 1.047 928 V CA 1.998 64.403 62.300 0.175 0.000 1.015 928 V CB -0.928 31.030 31.823 0.224 0.000 0.642 928 V HN 0.656 nan 8.190 nan 0.000 0.446 929 C N -0.519 118.828 119.300 0.079 0.000 2.413 929 C HA -0.222 4.237 4.460 -0.001 0.000 0.276 929 C C 2.869 177.819 174.990 -0.067 0.000 1.248 929 C CA 1.210 60.241 59.018 0.021 0.000 1.742 929 C CB -1.176 26.559 27.740 -0.009 0.000 2.017 929 C HN 0.617 nan 8.230 nan 0.000 0.481 930 Q N -0.203 119.530 119.800 -0.112 0.000 2.084 930 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 930 Q C 2.334 178.144 176.000 -0.317 0.000 0.978 930 Q CA 1.489 57.144 55.803 -0.247 0.000 0.844 930 Q CB -0.242 28.303 28.738 -0.323 0.000 0.898 930 Q HN 0.580 nan 8.270 nan 0.000 0.426 931 V N 0.129 119.881 119.914 -0.269 0.000 2.427 931 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 931 V C 2.321 178.237 176.094 -0.297 0.000 1.051 931 V CA 1.472 63.572 62.300 -0.335 0.000 1.048 931 V CB -0.397 31.116 31.823 -0.518 0.000 0.666 931 V HN 0.590 nan 8.190 nan 0.000 0.456 932 C N -0.366 118.831 119.300 -0.172 0.000 2.432 932 C HA -0.139 4.320 4.460 -0.001 0.000 0.277 932 C C 2.585 177.460 174.990 -0.192 0.000 1.249 932 C CA 1.352 60.258 59.018 -0.187 0.000 1.725 932 C CB -0.800 26.950 27.740 0.017 0.000 2.028 932 C HN 0.611 nan 8.230 nan 0.000 0.477 933 I N 0.076 120.546 120.570 -0.166 0.000 2.439 933 I HA -0.131 4.038 4.170 -0.001 0.000 0.251 933 I C 2.475 178.467 176.117 -0.209 0.000 1.139 933 I CA 1.371 62.565 61.300 -0.177 0.000 1.438 933 I CB -0.425 37.468 38.000 -0.179 0.000 1.085 933 I HN 0.371 nan 8.210 nan 0.000 0.427 934 K N 0.384 120.649 120.400 -0.226 0.000 2.057 934 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 934 K C 2.091 178.607 176.600 -0.141 0.000 1.049 934 K CA 1.484 57.662 56.287 -0.181 0.000 0.931 934 K CB -0.148 32.228 32.500 -0.207 0.000 0.714 934 K HN 0.351 nan 8.250 nan 0.000 0.440 935 L N 0.483 121.581 121.223 -0.209 0.000 2.027 935 L HA -0.171 4.168 4.340 -0.001 0.000 0.206 935 L C 2.337 179.144 176.870 -0.105 0.000 1.074 935 L CA 1.442 56.164 54.840 -0.197 0.000 0.745 935 L CB -0.347 41.476 42.059 -0.392 0.000 0.898 935 L HN 0.142 nan 8.230 nan 0.000 0.433 936 A N -0.410 122.343 122.820 -0.112 0.000 1.883 936 A HA -0.341 3.979 4.320 -0.001 0.000 0.217 936 A C 1.948 179.483 177.584 -0.082 0.000 1.186 936 A CA 2.211 54.212 52.037 -0.058 0.000 0.624 936 A CB -1.010 17.952 19.000 -0.063 0.000 0.822 936 A HN 0.604 nan 8.150 nan 0.000 0.444 937 D N -0.013 120.327 120.400 -0.099 0.000 2.182 937 D HA -0.133 4.506 4.640 -0.001 0.000 0.201 937 D C 1.305 177.698 176.300 0.154 0.000 0.986 937 D CA 1.540 55.539 54.000 -0.001 0.000 0.847 937 D CB -0.213 40.575 40.800 -0.020 0.000 0.942 937 D HN 0.635 nan 8.370 nan 0.000 0.467 938 I N -1.882 118.742 120.570 0.090 0.000 3.654 938 I HA 0.234 4.403 4.170 -0.001 0.000 0.337 938 I C 1.013 177.180 176.117 0.083 0.000 1.568 938 I CA -0.414 60.968 61.300 0.138 0.000 1.115 938 I CB -0.288 37.835 38.000 0.205 0.000 1.300 938 I HN -0.058 nan 8.210 nan 0.000 0.471 939 N N 2.051 120.766 118.700 0.024 0.000 2.443 939 N HA -0.146 4.593 4.740 -0.001 0.000 0.184 939 N C 1.682 177.217 175.510 0.041 0.000 1.037 939 N CA 1.136 54.214 53.050 0.046 0.000 0.896 939 N CB -0.221 38.285 38.487 0.031 0.000 0.959 939 N HN 0.497 nan 8.380 nan 0.000 0.442 940 G N 2.903 111.703 108.800 -0.001 0.000 2.766 940 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.222 940 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.222 940 G C -0.573 174.426 174.900 0.164 0.000 1.225 940 G CA 1.307 46.483 45.100 0.126 0.000 0.784 940 G HN 0.487 nan 8.290 nan 0.000 0.631 941 P HA 0.080 nan 4.420 nan 0.000 0.236 941 P C 0.873 178.149 177.300 -0.040 0.000 1.172 941 P CA 1.502 64.475 63.100 -0.212 0.000 0.759 941 P CB -0.028 31.559 31.700 -0.189 0.000 0.843 942 A N -1.257 121.637 122.820 0.122 0.000 2.500 942 A HA 0.184 4.504 4.320 -0.001 0.000 0.267 942 A C 0.799 178.668 177.584 0.474 0.000 1.290 942 A CA 0.087 52.299 52.037 0.291 0.000 0.928 942 A CB -0.088 19.101 19.000 0.315 0.000 1.066 942 A HN -0.055 nan 8.150 nan 0.000 0.516 943 K N -0.617 119.880 120.400 0.161 0.000 2.238 943 K HA 0.406 4.725 4.320 -0.001 0.000 0.239 943 K C -0.215 176.147 176.600 -0.397 0.000 0.987 943 K CA -0.761 55.458 56.287 -0.114 0.000 0.857 943 K CB 1.919 34.347 32.500 -0.119 0.000 1.154 943 K HN -0.001 nan 8.250 nan 0.000 0.439 944 V N 3.119 122.650 119.914 -0.638 0.000 2.720 944 V HA -0.104 4.015 4.120 -0.001 0.000 0.307 944 V C 2.052 178.106 176.094 -0.066 0.000 1.071 944 V CA 0.727 62.778 62.300 -0.414 0.000 1.199 944 V CB 0.278 31.993 31.823 -0.180 0.000 0.900 944 V HN 0.783 nan 8.190 nan 0.000 0.494 945 R N 3.729 124.252 120.500 0.039 0.000 2.189 945 R HA -0.240 4.099 4.340 -0.001 0.000 0.252 945 R C 1.541 177.891 176.300 0.083 0.000 1.134 945 R CA 2.971 59.147 56.100 0.127 0.000 0.954 945 R CB -0.449 29.901 30.300 0.083 0.000 0.890 945 R HN 0.946 nan 8.270 nan 0.000 0.443 946 D N 0.174 120.583 120.400 0.014 0.000 2.149 946 D HA -0.179 4.460 4.640 -0.001 0.000 0.198 946 D C 1.990 178.255 176.300 -0.058 0.000 0.990 946 D CA 1.047 55.024 54.000 -0.040 0.000 0.839 946 D CB -0.095 40.675 40.800 -0.049 0.000 0.948 946 D HN 0.229 nan 8.370 nan 0.000 0.460 947 L N 0.699 121.929 121.223 0.011 0.000 2.044 947 L HA -0.111 4.228 4.340 -0.001 0.000 0.205 947 L C 2.373 179.370 176.870 0.211 0.000 1.075 947 L CA 1.453 56.347 54.840 0.090 0.000 0.747 947 L CB -1.323 40.811 42.059 0.124 0.000 0.903 947 L HN 0.114 nan 8.230 nan 0.000 0.435 948 H N -0.164 118.989 119.070 0.138 0.000 2.289 948 H HA -0.179 4.376 4.556 -0.001 0.000 0.296 948 H C 2.069 177.496 175.328 0.165 0.000 1.091 948 H CA 2.032 58.199 56.048 0.200 0.000 1.274 948 H CB -0.424 29.436 29.762 0.164 0.000 1.364 948 H HN 0.266 nan 8.280 nan 0.000 0.490 949 L N -0.367 120.749 121.223 -0.179 0.000 2.265 949 L HA -0.121 4.219 4.340 -0.001 0.000 0.215 949 L C 2.496 179.230 176.870 -0.227 0.000 1.117 949 L CA 1.432 56.125 54.840 -0.246 0.000 0.782 949 L CB -0.354 41.621 42.059 -0.140 0.000 0.914 949 L HN 0.218 nan 8.230 nan 0.000 0.441 950 K N -0.200 120.036 120.400 -0.273 0.000 2.076 950 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 950 K C 1.742 178.078 176.600 -0.440 0.000 1.051 950 K CA 1.373 57.349 56.287 -0.520 0.000 0.949 950 K CB -0.249 31.705 32.500 -0.910 0.000 0.726 950 K HN 0.209 nan 8.250 nan 0.000 0.443 951 W N 0.123 121.387 121.300 -0.061 0.000 2.584 951 W HA 0.006 4.666 4.660 -0.001 0.000 0.264 951 W C 1.914 178.393 176.519 -0.067 0.000 1.264 951 W CA 0.823 58.202 57.345 0.057 0.000 1.306 951 W CB -0.216 29.355 29.460 0.184 0.000 1.110 951 W HN -0.025 nan 8.180 nan 0.000 0.606 952 T N 0.006 114.558 114.554 -0.005 0.000 2.777 952 T HA -0.252 4.097 4.350 -0.001 0.000 0.266 952 T C 1.550 176.093 174.700 -0.260 0.000 1.040 952 T CA 1.699 63.675 62.100 -0.208 0.000 1.141 952 T CB -0.269 68.424 68.868 -0.292 0.000 0.868 952 T HN 0.270 nan 8.240 nan 0.000 0.444 953 E N 0.506 120.581 120.200 -0.209 0.000 2.110 953 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 953 E C 2.406 178.878 176.600 -0.214 0.000 0.988 953 E CA 1.200 57.474 56.400 -0.210 0.000 0.804 953 E CB -0.436 29.144 29.700 -0.200 0.000 0.745 953 E HN 0.513 nan 8.360 nan 0.000 0.458 954 G N 1.276 109.987 108.800 -0.149 0.000 2.421 954 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 954 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 954 G C 1.537 176.325 174.900 -0.186 0.000 1.171 954 G CA 0.828 45.889 45.100 -0.065 0.000 0.775 954 G HN 0.335 nan 8.290 nan 0.000 0.543 955 I N 1.377 121.688 120.570 -0.431 0.000 2.315 955 I HA -0.119 4.051 4.170 -0.001 0.000 0.248 955 I C 2.861 178.405 176.117 -0.955 0.000 1.117 955 I CA 1.357 62.111 61.300 -0.910 0.000 1.404 955 I CB -0.089 37.074 38.000 -1.394 0.000 1.071 955 I HN 0.125 nan 8.210 nan 0.000 0.419 956 V N -0.956 118.491 119.914 -0.778 0.000 2.515 956 V HA -0.151 3.969 4.120 -0.001 0.000 0.250 956 V C 2.174 177.828 176.094 -0.734 0.000 1.058 956 V CA 2.075 63.886 62.300 -0.814 0.000 1.064 956 V CB -1.266 30.165 31.823 -0.654 0.000 0.675 956 V HN 0.361 nan 8.190 nan 0.000 0.461 957 N N 0.723 119.179 118.700 -0.407 0.000 2.244 957 N HA -0.112 4.627 4.740 -0.001 0.000 0.183 957 N C 1.875 177.331 175.510 -0.090 0.000 1.016 957 N CA 1.733 54.677 53.050 -0.177 0.000 0.866 957 N CB -0.294 38.138 38.487 -0.091 0.000 0.980 957 N HN 0.790 nan 8.380 nan 0.000 0.430 958 E N -0.425 119.701 120.200 -0.124 0.000 2.072 958 E HA -0.045 4.304 4.350 -0.001 0.000 0.190 958 E C 1.506 178.193 176.600 0.144 0.000 0.982 958 E CA 0.612 57.020 56.400 0.012 0.000 0.803 958 E CB -0.098 29.610 29.700 0.014 0.000 0.755 958 E HN 0.368 nan 8.360 nan 0.000 0.453 959 F N -0.369 119.459 119.950 -0.204 0.000 2.102 959 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 959 F C 2.068 177.860 175.800 -0.014 0.000 1.105 959 F CA 0.727 58.635 58.000 -0.154 0.000 1.239 959 F CB -0.258 38.599 39.000 -0.239 0.000 0.991 959 F HN 0.156 nan 8.300 nan 0.000 0.474 960 Y N 0.252 120.650 120.300 0.164 0.000 2.207 960 Y HA -0.264 4.285 4.550 -0.002 0.000 0.287 960 Y C 2.414 178.335 175.900 0.035 0.000 1.156 960 Y CA 0.791 58.936 58.100 0.076 0.000 1.182 960 Y CB -0.416 38.071 38.460 0.045 0.000 0.979 960 Y HN 0.131 nan 8.280 nan 0.000 0.521 961 E N 0.186 120.497 120.200 0.185 0.000 2.077 961 E HA -0.297 4.052 4.350 -0.001 0.000 0.193 961 E C 2.141 178.746 176.600 0.008 0.000 0.989 961 E CA 1.243 57.692 56.400 0.082 0.000 0.800 961 E CB -0.173 29.560 29.700 0.054 0.000 0.746 961 E HN 0.538 nan 8.360 nan 0.000 0.452 962 Q N 0.149 119.928 119.800 -0.035 0.000 2.119 962 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 962 Q C 2.148 178.094 176.000 -0.090 0.000 0.972 962 Q CA 1.490 57.166 55.803 -0.212 0.000 0.847 962 Q CB -0.139 28.423 28.738 -0.293 0.000 0.903 962 Q HN 0.263 nan 8.270 nan 0.000 0.433 963 G N 0.671 109.487 108.800 0.027 0.000 2.418 963 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 963 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 963 G C 0.948 175.884 174.900 0.060 0.000 1.158 963 G CA 0.987 46.129 45.100 0.070 0.000 0.771 963 G HN 0.391 nan 8.290 nan 0.000 0.545 964 D N 0.311 120.743 120.400 0.054 0.000 2.144 964 D HA -0.072 4.567 4.640 -0.001 0.000 0.199 964 D C 2.149 178.478 176.300 0.048 0.000 0.984 964 D CA 0.752 54.776 54.000 0.041 0.000 0.834 964 D CB -0.156 40.665 40.800 0.035 0.000 0.955 964 D HN 0.426 nan 8.370 nan 0.000 0.465 965 E N 0.573 120.801 120.200 0.047 0.000 2.107 965 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 965 E C 1.744 178.444 176.600 0.167 0.000 0.982 965 E CA 0.447 56.902 56.400 0.091 0.000 0.809 965 E CB 0.227 29.968 29.700 0.068 0.000 0.756 965 E HN 0.337 nan 8.360 nan 0.000 0.459 966 E N 0.323 120.634 120.200 0.184 0.000 2.077 966 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 966 E C 2.005 178.673 176.600 0.113 0.000 0.989 966 E CA 1.031 57.559 56.400 0.214 0.000 0.800 966 E CB -0.101 29.710 29.700 0.185 0.000 0.746 966 E HN 0.215 nan 8.360 nan 0.000 0.452 967 A N 1.734 124.601 122.820 0.078 0.000 1.898 967 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 967 A C 1.834 179.444 177.584 0.044 0.000 1.181 967 A CA 1.338 53.403 52.037 0.048 0.000 0.620 967 A CB -0.399 18.620 19.000 0.032 0.000 0.819 967 A HN 0.130 nan 8.150 nan 0.000 0.442 968 N N -0.023 118.708 118.700 0.052 0.000 2.381 968 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 968 N C 1.180 176.716 175.510 0.044 0.000 1.025 968 N CA 0.864 53.941 53.050 0.044 0.000 0.888 968 N CB -0.326 38.189 38.487 0.047 0.000 0.965 968 N HN 0.496 nan 8.380 nan 0.000 0.438 969 L N -0.479 120.778 121.223 0.058 0.000 2.611 969 L HA 0.181 4.521 4.340 -0.001 0.000 0.229 969 L C 1.260 178.143 176.870 0.021 0.000 1.137 969 L CA 0.079 54.943 54.840 0.041 0.000 0.901 969 L CB -0.201 41.888 42.059 0.050 0.000 1.098 969 L HN 0.186 nan 8.230 nan 0.000 0.456 970 G N 0.147 108.961 108.800 0.024 0.000 2.179 970 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.260 970 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.260 970 G C 0.364 175.271 174.900 0.012 0.000 0.977 970 G CA 0.057 45.165 45.100 0.013 0.000 0.641 970 G HN 0.251 nan 8.290 nan 0.000 0.533 971 L N 0.981 122.217 121.223 0.022 0.000 2.439 971 L HA 0.457 4.796 4.340 -0.001 0.000 0.261 971 L C -1.805 175.082 176.870 0.028 0.000 1.153 971 L CA -2.112 52.740 54.840 0.020 0.000 0.808 971 L CB 0.407 42.480 42.059 0.024 0.000 1.126 971 L HN -0.105 nan 8.230 nan 0.000 0.460 972 P HA 0.193 nan 4.420 nan 0.000 0.276 972 P C -0.487 176.831 177.300 0.029 0.000 1.230 972 P CA -0.198 62.911 63.100 0.016 0.000 0.776 972 P CB 0.468 32.172 31.700 0.006 0.000 0.888 973 I N 1.566 122.151 120.570 0.026 0.000 2.618 973 I HA -0.002 4.167 4.170 -0.001 0.000 0.284 973 I C 0.972 177.101 176.117 0.019 0.000 1.146 973 I CA 0.261 61.582 61.300 0.034 0.000 1.425 973 I CB 0.145 38.163 38.000 0.030 0.000 1.383 973 I HN 0.333 nan 8.210 nan 0.000 0.562 974 S N 7.006 122.719 115.700 0.022 0.000 2.589 974 S HA 0.162 4.631 4.470 -0.001 0.000 0.265 974 S C -2.140 172.448 174.600 -0.020 0.000 1.342 974 S CA -0.765 57.433 58.200 -0.004 0.000 1.005 974 S CB 0.259 63.446 63.200 -0.023 0.000 0.909 974 S HN 0.427 nan 8.310 nan 0.000 0.555 975 P HA 0.224 nan 4.420 nan 0.000 0.267 975 P C -0.138 177.140 177.300 -0.036 0.000 1.205 975 P CA 0.241 63.224 63.100 -0.194 0.000 0.765 975 P CB -0.131 31.402 31.700 -0.278 0.000 0.828 976 F N -0.306 119.698 119.950 0.090 0.000 2.699 976 F HA -0.242 4.284 4.527 -0.001 0.000 0.343 976 F C 0.993 176.937 175.800 0.240 0.000 0.633 976 F CA 0.362 58.455 58.000 0.155 0.000 1.365 976 F CB -1.904 37.199 39.000 0.171 0.000 1.795 976 F HN 0.353 nan 8.300 nan 0.000 0.304 977 M N -0.825 118.968 119.600 0.321 0.000 2.347 977 M HA 0.181 4.660 4.480 -0.001 0.000 0.302 977 M C 0.115 176.639 176.300 0.374 0.000 1.051 977 M CA 0.153 55.668 55.300 0.359 0.000 0.988 977 M CB 0.384 33.052 32.600 0.113 0.000 1.475 977 M HN -0.003 nan 8.290 nan 0.000 0.530 978 D N 1.922 122.464 120.400 0.236 0.000 2.396 978 D HA 0.133 4.772 4.640 -0.001 0.000 0.225 978 D C 1.186 177.407 176.300 -0.132 0.000 1.121 978 D CA -0.111 53.919 54.000 0.051 0.000 0.853 978 D CB 0.876 41.688 40.800 0.019 0.000 1.043 978 D HN 0.336 nan 8.370 nan 0.000 0.500 979 R N 1.658 121.856 120.500 -0.503 0.000 2.193 979 R HA -0.117 4.223 4.340 -0.001 0.000 0.229 979 R C 1.258 177.325 176.300 -0.389 0.000 1.110 979 R CA 1.321 56.852 56.100 -0.947 0.000 0.988 979 R CB -0.468 29.250 30.300 -0.971 0.000 0.871 979 R HN 0.309 nan 8.270 nan 0.000 0.458 980 S N -0.508 115.066 115.700 -0.211 0.000 2.593 980 S HA 0.065 4.535 4.470 -0.001 0.000 0.217 980 S C 0.871 175.432 174.600 -0.065 0.000 0.966 980 S CA 0.052 58.184 58.200 -0.114 0.000 0.914 980 S CB 0.578 63.730 63.200 -0.080 0.000 0.776 980 S HN 0.245 nan 8.310 nan 0.000 0.523 981 S N 2.764 118.431 115.700 -0.054 0.000 2.593 981 S HA 0.339 4.808 4.470 -0.001 0.000 0.178 981 S C -2.906 171.719 174.600 0.042 0.000 1.114 981 S CA -0.973 57.223 58.200 -0.006 0.000 1.199 981 S CB 0.385 63.580 63.200 -0.009 0.000 1.564 981 S HN 0.357 nan 8.310 nan 0.000 0.407 982 P HA 0.318 nan 4.420 nan 0.000 0.271 982 P C -0.791 176.621 177.300 0.186 0.000 1.218 982 P CA -0.078 63.133 63.100 0.186 0.000 0.780 982 P CB 0.719 32.542 31.700 0.204 0.000 0.901 983 Q N 1.664 121.627 119.800 0.272 0.000 2.563 983 Q HA 0.117 4.456 4.340 -0.001 0.000 0.367 983 Q C 0.904 177.068 176.000 0.273 0.000 0.845 983 Q CA -0.598 55.377 55.803 0.286 0.000 1.077 983 Q CB 0.597 29.538 28.738 0.339 0.000 1.409 983 Q HN 0.335 nan 8.270 nan 0.000 0.396 984 L N 1.131 122.444 121.223 0.149 0.000 2.051 984 L HA -0.202 4.137 4.340 -0.001 0.000 0.214 984 L C 1.834 178.588 176.870 -0.193 0.000 1.076 984 L CA 2.690 57.505 54.840 -0.042 0.000 0.758 984 L CB -0.455 41.600 42.059 -0.006 0.000 0.890 984 L HN 0.358 nan 8.230 nan 0.000 0.433 985 A N -1.217 121.625 122.820 0.037 0.000 1.929 985 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 985 A C 2.373 179.985 177.584 0.048 0.000 1.176 985 A CA 1.616 53.729 52.037 0.127 0.000 0.628 985 A CB -0.461 18.768 19.000 0.383 0.000 0.816 985 A HN 0.472 nan 8.150 nan 0.000 0.444 986 K N -0.808 119.669 120.400 0.129 0.000 2.032 986 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 986 K C 1.918 178.516 176.600 -0.003 0.000 1.048 986 K CA 1.515 57.920 56.287 0.198 0.000 0.927 986 K CB -0.373 32.383 32.500 0.427 0.000 0.712 986 K HN 0.389 nan 8.250 nan 0.000 0.441 987 L N 1.439 122.463 121.223 -0.330 0.000 1.971 987 L HA -0.273 4.066 4.340 -0.001 0.000 0.215 987 L C 2.098 178.692 176.870 -0.460 0.000 1.072 987 L CA 1.887 56.223 54.840 -0.840 0.000 0.758 987 L CB -0.578 40.904 42.059 -0.961 0.000 0.889 987 L HN 0.214 nan 8.230 nan 0.000 0.433 988 Q N -0.462 119.017 119.800 -0.534 0.000 2.119 988 Q HA -0.190 4.149 4.340 -0.001 0.000 0.201 988 Q C 2.203 178.101 176.000 -0.170 0.000 0.972 988 Q CA 1.422 56.910 55.803 -0.524 0.000 0.847 988 Q CB -0.536 27.382 28.738 -1.366 0.000 0.903 988 Q HN 0.627 nan 8.270 nan 0.000 0.433 989 E N 0.671 120.846 120.200 -0.042 0.000 2.017 989 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 989 E C 2.017 178.694 176.600 0.128 0.000 0.997 989 E CA 1.235 57.755 56.400 0.199 0.000 0.804 989 E CB -0.006 29.818 29.700 0.207 0.000 0.757 989 E HN 0.177 nan 8.360 nan 0.000 0.448 990 S N -0.268 115.480 115.700 0.079 0.000 2.354 990 S HA -0.194 4.275 4.470 -0.001 0.000 0.219 990 S C 1.955 176.612 174.600 0.095 0.000 1.035 990 S CA 1.543 59.810 58.200 0.113 0.000 1.037 990 S CB -0.748 62.589 63.200 0.228 0.000 0.956 990 S HN 0.390 nan 8.310 nan 0.000 0.428 991 F N 1.566 121.472 119.950 -0.073 0.000 2.192 991 F HA -0.064 4.462 4.527 -0.001 0.000 0.301 991 F C 1.844 177.577 175.800 -0.111 0.000 1.079 991 F CA 1.407 59.355 58.000 -0.086 0.000 1.303 991 F CB -0.217 38.680 39.000 -0.172 0.000 1.024 991 F HN 0.267 nan 8.300 nan 0.000 0.494 992 I N -1.437 119.095 120.570 -0.064 0.000 2.333 992 I HA -0.230 3.940 4.170 -0.001 0.000 0.246 992 I C 2.185 178.120 176.117 -0.304 0.000 1.106 992 I CA 1.354 62.517 61.300 -0.229 0.000 1.411 992 I CB -0.690 37.110 38.000 -0.333 0.000 1.082 992 I HN -0.009 nan 8.210 nan 0.000 0.420 993 T N -0.673 113.736 114.554 -0.241 0.000 2.821 993 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 993 T C 1.730 176.287 174.700 -0.237 0.000 1.046 993 T CA 1.274 63.238 62.100 -0.227 0.000 1.139 993 T CB -0.182 68.519 68.868 -0.279 0.000 0.871 993 T HN 0.323 nan 8.240 nan 0.000 0.454 994 H N -0.946 118.103 119.070 -0.035 0.000 2.582 994 H HA 0.326 4.881 4.556 -0.001 0.000 0.269 994 H C 1.448 176.710 175.328 -0.110 0.000 0.962 994 H CA 0.523 56.573 56.048 0.004 0.000 1.230 994 H CB 0.404 30.213 29.762 0.077 0.000 1.445 994 H HN 0.340 nan 8.280 nan 0.000 0.528 995 I N -1.072 119.319 120.570 -0.297 0.000 3.623 995 I HA -0.038 4.131 4.170 -0.001 0.000 0.253 995 I C 2.320 178.177 176.117 -0.435 0.000 1.144 995 I CA 0.270 61.207 61.300 -0.605 0.000 1.461 995 I CB -0.407 36.846 38.000 -1.246 0.000 1.575 995 I HN -0.177 nan 8.210 nan 0.000 0.445 996 V N 1.363 120.986 119.914 -0.485 0.000 2.237 996 V HA -0.154 3.965 4.120 -0.001 0.000 0.245 996 V C 2.559 178.566 176.094 -0.144 0.000 1.046 996 V CA 2.251 64.400 62.300 -0.252 0.000 1.007 996 V CB -1.918 29.796 31.823 -0.181 0.000 0.638 996 V HN 0.538 nan 8.190 nan 0.000 0.445 997 G N 1.683 110.389 108.800 -0.157 0.000 2.628 997 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 997 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 997 G C 0.112 174.997 174.900 -0.024 0.000 1.240 997 G CA 1.541 46.585 45.100 -0.094 0.000 0.792 997 G HN 0.558 nan 8.290 nan 0.000 0.593 998 P HA -0.109 nan 4.420 nan 0.000 0.216 998 P C 2.110 179.449 177.300 0.065 0.000 1.150 998 P CA 0.943 64.080 63.100 0.062 0.000 0.843 998 P CB -0.131 31.635 31.700 0.110 0.000 0.787 999 L N 0.264 121.514 121.223 0.045 0.000 1.994 999 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 999 L C 2.547 179.434 176.870 0.029 0.000 1.071 999 L CA 1.970 56.829 54.840 0.032 0.000 0.745 999 L CB -1.480 40.596 42.059 0.027 0.000 0.892 999 L HN -0.023 nan 8.230 nan 0.000 0.431 1000 C N -0.010 119.290 119.300 0.001 0.000 2.425 1000 C HA -0.113 4.346 4.460 -0.001 0.000 0.277 1000 C C 2.554 177.589 174.990 0.076 0.000 1.280 1000 C CA 0.716 59.744 59.018 0.016 0.000 1.744 1000 C CB -1.512 26.215 27.740 -0.021 0.000 1.989 1000 C HN 0.624 nan 8.230 nan 0.000 0.491 1001 N N 1.419 120.155 118.700 0.061 0.000 2.036 1001 N HA -0.119 4.621 4.740 -0.001 0.000 0.195 1001 N C 1.915 177.496 175.510 0.119 0.000 1.037 1001 N CA 1.798 54.891 53.050 0.072 0.000 0.855 1001 N CB -0.635 37.890 38.487 0.062 0.000 1.033 1001 N HN 0.466 nan 8.380 nan 0.000 0.423 1002 S N 0.221 116.018 115.700 0.163 0.000 2.356 1002 S HA -0.142 4.327 4.470 -0.001 0.000 0.223 1002 S C 1.864 176.701 174.600 0.396 0.000 1.032 1002 S CA 0.777 59.133 58.200 0.260 0.000 1.005 1002 S CB -0.533 62.866 63.200 0.333 0.000 0.867 1002 S HN 0.391 nan 8.310 nan 0.000 0.449 1003 Y N 2.160 122.577 120.300 0.196 0.000 2.165 1003 Y HA -0.222 4.327 4.550 -0.001 0.000 0.286 1003 Y C 2.281 178.267 175.900 0.143 0.000 1.155 1003 Y CA 1.891 60.093 58.100 0.170 0.000 1.164 1003 Y CB -0.498 37.938 38.460 -0.040 0.000 0.978 1003 Y HN 0.261 nan 8.280 nan 0.000 0.513 1004 D N -0.524 120.006 120.400 0.216 0.000 2.117 1004 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 1004 D C 2.084 178.412 176.300 0.047 0.000 0.982 1004 D CA 1.353 55.408 54.000 0.091 0.000 0.828 1004 D CB -0.371 40.465 40.800 0.060 0.000 0.967 1004 D HN 0.336 nan 8.370 nan 0.000 0.464 1005 A N -0.169 122.692 122.820 0.069 0.000 2.172 1005 A HA 0.190 4.509 4.320 -0.001 0.000 0.216 1005 A C 2.074 179.663 177.584 0.009 0.000 1.154 1005 A CA 1.489 53.548 52.037 0.037 0.000 0.701 1005 A CB -0.529 18.497 19.000 0.044 0.000 0.789 1005 A HN 0.304 nan 8.150 nan 0.000 0.465 1006 A N -1.836 120.994 122.820 0.016 0.000 2.275 1006 A HA 0.440 4.759 4.320 -0.001 0.000 0.212 1006 A C 1.670 179.234 177.584 -0.034 0.000 1.201 1006 A CA 1.029 53.039 52.037 -0.044 0.000 0.843 1006 A CB -0.670 18.301 19.000 -0.048 0.000 0.873 1006 A HN 1.778 nan 8.150 nan 0.000 0.492 1007 G N -0.730 108.050 108.800 -0.034 0.000 2.147 1007 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.244 1007 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.244 1007 G C 0.542 175.402 174.900 -0.066 0.000 1.005 1007 G CA 0.469 45.545 45.100 -0.039 0.000 0.713 1007 G HN 0.532 nan 8.290 nan 0.000 0.515 1008 L N -0.697 120.438 121.223 -0.146 0.000 2.616 1008 L HA 0.391 4.730 4.340 -0.001 0.000 0.229 1008 L C 1.443 178.263 176.870 -0.082 0.000 1.110 1008 L CA -0.149 54.559 54.840 -0.219 0.000 0.884 1008 L CB 0.055 41.725 42.059 -0.648 0.000 1.115 1008 L HN 0.170 nan 8.230 nan 0.000 0.481 1009 L N 3.214 124.429 121.223 -0.014 0.000 2.367 1009 L HA 0.228 4.567 4.340 -0.001 0.000 0.275 1009 L C -1.937 174.896 176.870 -0.061 0.000 1.129 1009 L CA -1.667 53.194 54.840 0.036 0.000 0.839 1009 L CB 0.671 42.729 42.059 -0.002 0.000 1.133 1009 L HN -0.189 nan 8.230 nan 0.000 0.453 1010 P HA 0.263 nan 4.420 nan 0.000 0.276 1010 P C -0.297 176.930 177.300 -0.122 0.000 1.230 1010 P CA 0.027 63.075 63.100 -0.086 0.000 0.776 1010 P CB 1.700 33.362 31.700 -0.064 0.000 0.888 1011 G N 2.295 111.028 108.800 -0.112 0.000 2.588 1011 G HA2 0.549 4.508 3.960 -0.001 0.000 0.281 1011 G HA3 0.549 4.508 3.960 -0.001 0.000 0.281 1011 G C -1.876 173.006 174.900 -0.031 0.000 1.223 1011 G CA -0.654 44.372 45.100 -0.123 0.000 0.871 1011 G HN 0.645 nan 8.290 nan 0.000 0.492 1012 Q N -1.100 118.691 119.800 -0.015 0.000 2.418 1012 Q HA 0.505 4.844 4.340 -0.001 0.000 0.282 1012 Q C -1.675 174.351 176.000 0.044 0.000 1.044 1012 Q CA -1.056 54.805 55.803 0.096 0.000 0.813 1012 Q CB 1.952 30.800 28.738 0.183 0.000 1.428 1012 Q HN 0.600 nan 8.270 nan 0.000 0.402 1013 W N 1.600 123.022 121.300 0.202 0.000 2.150 1013 W HA 0.304 4.963 4.660 -0.001 0.000 0.341 1013 W C 0.675 177.251 176.519 0.096 0.000 1.276 1013 W CA -0.519 56.873 57.345 0.079 0.000 1.238 1013 W CB 0.705 30.166 29.460 0.003 0.000 1.128 1013 W HN 0.594 nan 8.180 nan 0.000 0.581 1014 L N 0.514 121.953 121.223 0.361 0.000 2.641 1014 L HA 0.176 4.515 4.340 -0.001 0.000 0.207 1014 L C 0.113 177.070 176.870 0.144 0.000 1.049 1014 L CA 0.064 55.028 54.840 0.206 0.000 0.866 1014 L CB -0.166 41.994 42.059 0.168 0.000 1.264 1014 L HN 0.523 nan 8.230 nan 0.000 0.483 1054 R N 0.556 121.104 120.500 0.080 0.000 2.156 1054 R HA 0.257 4.596 4.340 -0.001 0.000 0.207 1054 R C 1.469 177.817 176.300 0.081 0.000 1.040 1054 R CA 1.050 57.191 56.100 0.068 0.000 1.013 1054 R CB -0.755 29.580 30.300 0.058 0.000 0.931 1054 R HN 0.868 nan 8.270 nan 0.000 0.465 1055 R N 1.387 121.950 120.500 0.105 0.000 2.615 1055 R HA 0.214 4.553 4.340 -0.001 0.000 0.270 1055 R C 1.069 177.455 176.300 0.142 0.000 1.081 1055 R CA -0.090 56.080 56.100 0.117 0.000 1.154 1055 R CB -0.211 30.165 30.300 0.127 0.000 1.063 1055 R HN 0.155 nan 8.270 nan 0.000 0.519 1056 R N -0.080 120.518 120.500 0.164 0.000 2.276 1056 R HA 0.216 4.555 4.340 -0.001 0.000 0.196 1056 R C -0.245 176.242 176.300 0.313 0.000 0.961 1056 R CA 0.524 56.764 56.100 0.234 0.000 1.024 1056 R CB 0.085 30.536 30.300 0.251 0.000 0.940 1056 R HN 0.693 nan 8.270 nan 0.000 0.480 1057 I N 0.662 121.354 120.570 0.203 0.000 2.465 1057 I HA 0.204 4.373 4.170 -0.001 0.000 0.291 1057 I C -1.111 175.080 176.117 0.123 0.000 1.014 1057 I CA -1.051 60.305 61.300 0.094 0.000 1.093 1057 I CB 1.925 39.872 38.000 -0.090 0.000 1.267 1057 I HN -0.155 nan 8.210 nan 0.000 0.431 1058 F N 7.315 127.254 119.950 -0.019 0.000 2.385 1058 F HA 0.483 5.009 4.527 -0.001 0.000 0.360 1058 F C -0.412 175.347 175.800 -0.068 0.000 1.122 1058 F CA -0.921 57.052 58.000 -0.044 0.000 1.090 1058 F CB 0.934 39.883 39.000 -0.085 0.000 1.150 1058 F HN 0.448 nan 8.300 nan 0.000 0.472 1059 C N 8.130 126.957 119.300 -0.789 0.000 2.291 1059 C HA 0.271 4.730 4.460 -0.001 0.000 0.322 1059 C C 1.496 175.948 174.990 -0.897 0.000 1.205 1059 C CA -0.436 58.180 59.018 -0.669 0.000 1.495 1059 C CB -0.240 27.308 27.740 -0.320 0.000 2.127 1059 C HN 1.111 nan 8.230 nan 0.000 0.452 1060 Q N 3.131 122.361 119.800 -0.949 0.000 2.077 1060 Q HA -0.211 4.128 4.340 -0.001 0.000 0.206 1060 Q C 1.856 177.579 176.000 -0.461 0.000 0.989 1060 Q CA 2.717 58.103 55.803 -0.694 0.000 0.853 1060 Q CB -0.019 28.544 28.738 -0.292 0.000 0.907 1060 Q HN 0.948 nan 8.270 nan 0.000 0.418 1061 L N -1.906 119.090 121.223 -0.378 0.000 2.083 1061 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 1061 L C 2.410 179.256 176.870 -0.040 0.000 1.083 1061 L CA 0.736 55.523 54.840 -0.087 0.000 0.752 1061 L CB -0.809 41.100 42.059 -0.250 0.000 0.899 1061 L HN 0.204 nan 8.230 nan 0.000 0.433 1062 M N 0.186 119.708 119.600 -0.130 0.000 2.149 1062 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 1062 M C 2.280 178.543 176.300 -0.061 0.000 1.064 1062 M CA 1.880 57.132 55.300 -0.080 0.000 1.102 1062 M CB -1.452 31.090 32.600 -0.096 0.000 1.369 1062 M HN 0.360 nan 8.290 nan 0.000 0.408 1063 H N -0.892 118.079 119.070 -0.165 0.000 2.333 1063 H HA -0.068 4.487 4.556 -0.001 0.000 0.302 1063 H C 2.124 177.459 175.328 0.012 0.000 1.075 1063 H CA 1.604 57.609 56.048 -0.071 0.000 1.348 1063 H CB -0.261 29.469 29.762 -0.054 0.000 1.393 1063 H HN 0.387 nan 8.280 nan 0.000 0.509 1064 H N -0.198 118.985 119.070 0.189 0.000 2.319 1064 H HA -0.142 4.414 4.556 -0.001 0.000 0.297 1064 H C 2.382 177.761 175.328 0.085 0.000 1.097 1064 H CA 1.370 57.511 56.048 0.156 0.000 1.285 1064 H CB -0.698 29.180 29.762 0.194 0.000 1.368 1064 H HN 0.221 nan 8.280 nan 0.000 0.495 1065 L N 0.617 121.949 121.223 0.182 0.000 2.013 1065 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 1065 L C 2.396 179.309 176.870 0.071 0.000 1.073 1065 L CA 2.010 56.890 54.840 0.067 0.000 0.753 1065 L CB -0.903 41.167 42.059 0.018 0.000 0.890 1065 L HN 0.197 nan 8.230 nan 0.000 0.432 1066 T N -0.694 113.899 114.554 0.065 0.000 2.708 1066 T HA -0.184 4.165 4.350 -0.001 0.000 0.266 1066 T C 1.646 176.418 174.700 0.120 0.000 1.037 1066 T CA 1.734 63.882 62.100 0.081 0.000 1.146 1066 T CB -0.240 68.621 68.868 -0.013 0.000 0.865 1066 T HN 0.497 nan 8.240 nan 0.000 0.435 1067 E N 1.336 121.608 120.200 0.119 0.000 2.031 1067 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 1067 E C 2.262 178.932 176.600 0.117 0.000 0.994 1067 E CA 0.974 57.447 56.400 0.122 0.000 0.800 1067 E CB -0.201 29.597 29.700 0.163 0.000 0.752 1067 E HN 0.348 nan 8.360 nan 0.000 0.447 1068 N N 0.394 119.172 118.700 0.130 0.000 2.364 1068 N HA -0.157 4.582 4.740 -0.001 0.000 0.183 1068 N C 1.663 177.310 175.510 0.228 0.000 1.022 1068 N CA 0.889 54.014 53.050 0.125 0.000 0.883 1068 N CB -0.242 38.225 38.487 -0.034 0.000 0.965 1068 N HN 0.223 nan 8.380 nan 0.000 0.438 1069 H N 1.514 120.646 119.070 0.103 0.000 2.462 1069 H HA 0.119 4.674 4.556 -0.001 0.000 0.292 1069 H C 1.508 176.902 175.328 0.109 0.000 1.049 1069 H CA 1.138 57.275 56.048 0.149 0.000 1.334 1069 H CB 0.307 30.121 29.762 0.086 0.000 1.404 1069 H HN 0.154 nan 8.280 nan 0.000 0.544 1070 K N -0.124 120.332 120.400 0.095 0.000 2.148 1070 K HA -0.044 4.275 4.320 -0.001 0.000 0.204 1070 K C 2.232 178.788 176.600 -0.073 0.000 1.050 1070 K CA 1.032 57.310 56.287 -0.016 0.000 0.942 1070 K CB 0.150 32.642 32.500 -0.013 0.000 0.724 1070 K HN 0.290 nan 8.250 nan 0.000 0.446 1071 I N -0.223 120.242 120.570 -0.175 0.000 2.145 1071 I HA -0.286 3.883 4.170 -0.001 0.000 0.244 1071 I C 1.666 177.514 176.117 -0.448 0.000 1.075 1071 I CA 1.830 62.843 61.300 -0.478 0.000 1.332 1071 I CB -0.347 37.085 38.000 -0.946 0.000 1.033 1071 I HN 0.323 nan 8.210 nan 0.000 0.410 1072 W N 0.463 121.821 121.300 0.097 0.000 3.013 1072 W HA 0.217 4.876 4.660 -0.001 0.000 0.280 1072 W C 1.480 178.025 176.519 0.043 0.000 1.249 1072 W CA -0.546 56.849 57.345 0.084 0.000 1.577 1072 W CB 0.007 29.544 29.460 0.129 0.000 1.057 1072 W HN -0.158 nan 8.180 nan 0.000 0.613 1073 K N 0.000 120.495 120.400 0.158 0.000 2.780 1073 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1073 K CA 0.000 56.297 56.287 0.017 0.000 0.838 1073 K CB 0.000 32.376 32.500 -0.207 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543