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 2vr2_1_A DATA FIRST_RESID 5 DATA SEQUENCE SRLLIRGGRV VNDDFSEVAD VLVEDGVVRA LGHXXXXXXX XXXXLRVLDA DATA SEQUENCE AGKLVLPGGI DTHTHMQFPF MGSRSIDDFH QGTKAALSGG TTMIIDFAIP DATA SEQUENCE QKGGSLIEAF ETWRSWADPK VCCDYSLHVA VTWWSDQVKE EMKILVQDKG DATA SEQUENCE VNSFKMFMAY KDLYMVTDLE LYEAFSRCKE IGAIAQVHAE NGDLIAEGAK DATA SEQUENCE KMLALGITGP EGHELCRPEA VEAEATLRAI TIASAVNCPL YIVHVMSKSA DATA SEQUENCE AKVIADARRD GKVVYGEPIA ASLGTDGTHY WNKEWHHAAH HVMGPPLRPD DATA SEQUENCE PSTPDFLMNL LANDDLTTTG TDNCTFNTCQ KALGKDDFTK IPNGVNGVED DATA SEQUENCE RMSVIWEKGV HSGKMDENRF VAVTSTNAAK IFNLYPRKGR IAVGSDADIV DATA SEQUENCE IWDPKGTRTI SAKTHHQAVN FNIFEGMVCH GVPLVTISRG KVVYEAGVFS DATA SEQUENCE VTAGDGKFIP RKPFAEYIYK RIKQRDRTCT PTPVERAPY 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.603 174.600 0.005 0.000 1.055 5 S CA 0.000 58.204 58.200 0.006 0.000 1.107 5 S CB 0.000 63.203 63.200 0.005 0.000 0.593 6 R N 1.137 121.639 120.500 0.003 0.000 2.494 6 R HA 0.715 5.059 4.340 0.008 0.000 0.305 6 R C -1.361 174.940 176.300 0.002 0.000 0.959 6 R CA -0.326 55.775 56.100 0.002 0.000 0.864 6 R CB 1.840 32.141 30.300 0.000 0.000 1.159 6 R HN 0.266 nan 8.270 nan 0.000 0.446 7 L N 3.719 124.944 121.223 0.003 0.000 2.346 7 L HA 0.513 4.858 4.340 0.008 0.000 0.276 7 L C -1.112 175.758 176.870 0.001 0.000 1.006 7 L CA -1.106 53.736 54.840 0.003 0.000 0.817 7 L CB 1.931 43.994 42.059 0.007 0.000 1.272 7 L HN 0.370 nan 8.230 nan 0.000 0.421 8 L N 5.125 126.347 121.223 -0.001 0.000 2.401 8 L HA 0.504 4.848 4.340 0.008 0.000 0.263 8 L C -0.597 176.271 176.870 -0.003 0.000 1.004 8 L CA 0.023 54.861 54.840 -0.003 0.000 0.881 8 L CB 1.000 43.055 42.059 -0.008 0.000 1.219 8 L HN 0.377 nan 8.230 nan 0.000 0.441 9 I N 4.710 125.281 120.570 0.002 0.000 2.363 9 I HA 0.318 4.492 4.170 0.008 0.000 0.292 9 I C 0.432 176.548 176.117 -0.001 0.000 1.075 9 I CA 0.047 61.349 61.300 0.004 0.000 1.333 9 I CB 0.304 38.312 38.000 0.014 0.000 1.415 9 I HN 0.528 nan 8.210 nan 0.000 0.502 10 R N 4.394 124.889 120.500 -0.007 0.000 2.589 10 R HA 0.454 4.799 4.340 0.008 0.000 0.293 10 R C 0.813 177.105 176.300 -0.015 0.000 0.963 10 R CA 0.060 56.149 56.100 -0.019 0.000 0.905 10 R CB 1.734 32.018 30.300 -0.027 0.000 1.144 10 R HN 0.861 nan 8.270 nan 0.000 0.459 11 G N 1.928 110.713 108.800 -0.024 0.000 2.180 11 G HA2 -0.269 3.695 3.960 0.008 0.000 0.263 11 G HA3 -0.269 3.695 3.960 0.008 0.000 0.263 11 G C 0.326 175.238 174.900 0.020 0.000 0.989 11 G CA 0.433 45.529 45.100 -0.006 0.000 0.692 11 G HN 0.850 nan 8.290 nan 0.000 0.526 12 G N -1.040 107.774 108.800 0.023 0.000 2.537 12 G HA2 0.556 4.520 3.960 0.008 0.000 0.273 12 G HA3 0.556 4.520 3.960 0.008 0.000 0.273 12 G C -0.026 174.901 174.900 0.045 0.000 1.189 12 G CA -0.521 44.599 45.100 0.033 0.000 0.881 12 G HN 0.472 nan 8.290 nan 0.000 0.535 13 R N 0.582 121.108 120.500 0.044 0.000 2.215 13 R HA 0.375 4.720 4.340 0.008 0.000 0.337 13 R C -0.509 175.814 176.300 0.038 0.000 1.010 13 R CA -0.456 55.666 56.100 0.038 0.000 0.871 13 R CB 0.874 31.192 30.300 0.030 0.000 1.134 13 R HN 0.267 nan 8.270 nan 0.000 0.477 14 V N 5.803 125.739 119.914 0.038 0.000 2.439 14 V HA 0.101 4.226 4.120 0.008 0.000 0.271 14 V C -0.050 176.064 176.094 0.032 0.000 1.040 14 V CA -0.205 62.122 62.300 0.045 0.000 1.002 14 V CB 1.210 33.069 31.823 0.060 0.000 1.000 14 V HN 0.427 nan 8.190 nan 0.000 0.477 15 V N 6.115 126.058 119.914 0.048 0.000 2.350 15 V HA 0.461 4.586 4.120 0.008 0.000 0.285 15 V C 0.138 176.276 176.094 0.073 0.000 1.014 15 V CA -0.726 61.604 62.300 0.051 0.000 0.831 15 V CB 1.213 33.085 31.823 0.081 0.000 1.000 15 V HN 0.832 nan 8.190 nan 0.000 0.433 16 N N 2.732 121.484 118.700 0.087 0.000 2.643 16 N HA 0.272 5.016 4.740 0.008 0.000 0.305 16 N C 0.999 176.569 175.510 0.099 0.000 1.283 16 N CA -0.380 52.732 53.050 0.103 0.000 0.946 16 N CB 0.965 39.533 38.487 0.136 0.000 1.149 16 N HN 0.730 nan 8.380 nan 0.000 0.600 17 D N -0.395 120.061 120.400 0.092 0.000 2.144 17 D HA -0.171 4.474 4.640 0.008 0.000 0.200 17 D C 0.632 176.979 176.300 0.078 0.000 0.978 17 D CA 1.280 55.316 54.000 0.060 0.000 0.833 17 D CB -0.136 40.674 40.800 0.017 0.000 0.961 17 D HN 0.611 nan 8.370 nan 0.000 0.470 18 D N -0.903 119.570 120.400 0.121 0.000 2.355 18 D HA 0.062 4.706 4.640 0.008 0.000 0.206 18 D C 0.276 176.730 176.300 0.257 0.000 1.010 18 D CA -0.239 53.849 54.000 0.147 0.000 0.875 18 D CB 0.006 40.884 40.800 0.130 0.000 0.966 18 D HN 0.331 nan 8.370 nan 0.000 0.512 19 F N 0.554 120.527 119.950 0.038 0.000 2.703 19 F HA 0.396 4.928 4.527 0.008 0.000 0.308 19 F C -1.733 174.095 175.800 0.046 0.000 1.126 19 F CA -0.614 57.408 58.000 0.037 0.000 0.959 19 F CB 1.801 40.821 39.000 0.034 0.000 1.297 19 F HN -0.104 nan 8.300 nan 0.000 0.441 20 S N 2.590 117.895 115.700 -0.659 0.000 2.541 20 S HA 0.790 5.264 4.470 0.008 0.000 0.280 20 S C -1.444 172.734 174.600 -0.704 0.000 1.112 20 S CA -0.791 57.135 58.200 -0.457 0.000 0.925 20 S CB 2.156 65.240 63.200 -0.194 0.000 1.067 20 S HN 0.799 nan 8.310 nan 0.000 0.479 21 E N 0.033 120.044 120.200 -0.315 0.000 2.430 21 E HA 0.587 4.942 4.350 0.008 0.000 0.279 21 E C -1.632 174.956 176.600 -0.019 0.000 1.003 21 E CA -1.351 54.945 56.400 -0.173 0.000 0.801 21 E CB 1.307 30.998 29.700 -0.016 0.000 1.313 21 E HN 0.355 nan 8.360 nan 0.000 0.459 22 V N 0.985 120.911 119.914 0.020 0.000 2.439 22 V HA 0.587 4.712 4.120 0.008 0.000 0.271 22 V C 0.051 176.255 176.094 0.184 0.000 1.040 22 V CA 0.715 63.073 62.300 0.096 0.000 1.002 22 V CB -0.361 31.533 31.823 0.117 0.000 1.000 22 V HN 0.789 nan 8.190 nan 0.000 0.477 23 A N 4.505 127.410 122.820 0.143 0.000 2.602 23 A HA 0.789 5.113 4.320 0.008 0.000 0.290 23 A C -1.583 176.039 177.584 0.064 0.000 1.114 23 A CA -0.806 51.311 52.037 0.133 0.000 0.683 23 A CB 1.616 20.687 19.000 0.118 0.000 1.281 23 A HN 0.602 nan 8.150 nan 0.000 0.416 24 D N 0.389 120.810 120.400 0.035 0.000 2.248 24 D HA 0.534 5.179 4.640 0.008 0.000 0.246 24 D C -0.789 175.522 176.300 0.018 0.000 1.027 24 D CA -0.064 53.941 54.000 0.009 0.000 0.853 24 D CB 1.901 42.686 40.800 -0.024 0.000 1.243 24 D HN 0.249 nan 8.370 nan 0.000 0.462 25 V N 2.295 122.218 119.914 0.015 0.000 2.357 25 V HA 0.289 4.414 4.120 0.008 0.000 0.284 25 V C -0.269 175.831 176.094 0.009 0.000 1.018 25 V CA -0.895 61.415 62.300 0.016 0.000 0.841 25 V CB 1.392 33.227 31.823 0.021 0.000 0.991 25 V HN 0.320 nan 8.190 nan 0.000 0.437 26 L N 6.873 128.100 121.223 0.007 0.000 2.262 26 L HA 0.611 4.956 4.340 0.008 0.000 0.288 26 L C -0.368 176.504 176.870 0.003 0.000 1.035 26 L CA 0.230 55.072 54.840 0.003 0.000 0.820 26 L CB 1.387 43.447 42.059 0.001 0.000 1.204 26 L HN 0.468 nan 8.230 nan 0.000 0.424 27 V N 5.288 125.204 119.914 0.003 0.000 2.398 27 V HA 0.536 4.660 4.120 0.008 0.000 0.286 27 V C -0.265 175.830 176.094 0.002 0.000 1.026 27 V CA -0.580 61.722 62.300 0.003 0.000 0.868 27 V CB 1.574 33.401 31.823 0.006 0.000 0.982 27 V HN 0.796 nan 8.190 nan 0.000 0.443 28 E N 3.064 123.264 120.200 -0.000 0.000 2.290 28 E HA 0.314 4.668 4.350 0.008 0.000 0.274 28 E C -0.954 175.645 176.600 -0.002 0.000 0.889 28 E CA -0.567 55.832 56.400 -0.001 0.000 0.760 28 E CB 1.381 31.080 29.700 -0.002 0.000 1.206 28 E HN 0.758 nan 8.360 nan 0.000 0.419 29 D N 3.147 123.547 120.400 0.000 0.000 2.811 29 D HA -0.226 4.419 4.640 0.008 0.000 0.231 29 D C 0.683 176.982 176.300 -0.001 0.000 1.157 29 D CA 1.720 55.720 54.000 0.000 0.000 0.716 29 D CB -1.225 39.574 40.800 -0.002 0.000 1.077 29 D HN 0.967 nan 8.370 nan 0.000 0.428 30 G N -2.421 106.379 108.800 0.000 0.000 2.176 30 G HA2 -0.254 3.710 3.960 0.008 0.000 0.253 30 G HA3 -0.254 3.710 3.960 0.008 0.000 0.253 30 G C 0.238 175.133 174.900 -0.007 0.000 0.979 30 G CA 0.265 45.364 45.100 -0.001 0.000 0.641 30 G HN 0.617 nan 8.290 nan 0.000 0.530 31 V N 0.759 120.668 119.914 -0.009 0.000 2.735 31 V HA 0.581 4.705 4.120 0.008 0.000 0.310 31 V C 0.715 176.802 176.094 -0.011 0.000 1.061 31 V CA -0.907 61.384 62.300 -0.015 0.000 0.913 31 V CB 2.133 33.945 31.823 -0.019 0.000 1.005 31 V HN 0.280 nan 8.190 nan 0.000 0.428 32 V N 5.971 125.877 119.914 -0.013 0.000 2.425 32 V HA 0.147 4.272 4.120 0.008 0.000 0.276 32 V C 1.365 177.453 176.094 -0.010 0.000 1.017 32 V CA 0.208 62.503 62.300 -0.008 0.000 1.062 32 V CB 0.279 32.097 31.823 -0.008 0.000 0.997 32 V HN 0.794 nan 8.190 nan 0.000 0.476 33 R N 3.117 123.613 120.500 -0.006 0.000 2.206 33 R HA 0.443 4.787 4.340 0.008 0.000 0.198 33 R C 0.444 176.742 176.300 -0.003 0.000 0.986 33 R CA 0.756 56.852 56.100 -0.006 0.000 1.029 33 R CB 0.785 31.082 30.300 -0.005 0.000 0.966 33 R HN 0.719 nan 8.270 nan 0.000 0.487 34 A N 0.718 123.539 122.820 0.002 0.000 2.572 34 A HA 0.718 5.043 4.320 0.008 0.000 0.295 34 A C -1.434 176.158 177.584 0.014 0.000 1.072 34 A CA -0.552 51.489 52.037 0.007 0.000 0.691 34 A CB 1.652 20.656 19.000 0.006 0.000 1.291 34 A HN 0.087 nan 8.150 nan 0.000 0.404 35 L N 0.690 121.926 121.223 0.021 0.000 2.455 35 L HA 0.834 5.179 4.340 0.008 0.000 0.264 35 L C 0.189 177.086 176.870 0.045 0.000 0.968 35 L CA -0.228 54.633 54.840 0.035 0.000 0.827 35 L CB 2.715 44.800 42.059 0.043 0.000 1.317 35 L HN 1.343 nan 8.230 nan 0.000 0.407 36 G N -0.014 108.821 108.800 0.058 0.000 2.340 36 G HA2 0.298 4.262 3.960 0.008 0.000 0.298 36 G HA3 0.298 4.262 3.960 0.008 0.000 0.298 36 G C -2.409 172.548 174.900 0.096 0.000 1.498 36 G CA -0.653 44.494 45.100 0.078 0.000 0.847 36 G HN 0.634 nan 8.290 nan 0.000 0.594 50 R N 1.081 121.578 120.500 -0.004 0.000 2.346 50 R HA 0.720 5.065 4.340 0.008 0.000 0.311 50 R C -1.065 175.231 176.300 -0.007 0.000 0.983 50 R CA -0.404 55.692 56.100 -0.006 0.000 0.880 50 R CB 1.748 32.045 30.300 -0.005 0.000 1.100 50 R HN -0.147 nan 8.270 nan 0.000 0.453 51 V N 6.291 126.199 119.914 -0.009 0.000 2.417 51 V HA 0.364 4.488 4.120 0.008 0.000 0.291 51 V C -0.617 175.470 176.094 -0.012 0.000 1.024 51 V CA -0.864 61.430 62.300 -0.011 0.000 0.861 51 V CB 1.495 33.310 31.823 -0.013 0.000 0.985 51 V HN 0.583 nan 8.190 nan 0.000 0.436 52 L N 3.756 124.973 121.223 -0.011 0.000 2.296 52 L HA 0.518 4.862 4.340 0.008 0.000 0.286 52 L C -0.000 176.862 176.870 -0.012 0.000 1.023 52 L CA -0.272 54.560 54.840 -0.012 0.000 0.812 52 L CB 1.129 43.183 42.059 -0.009 0.000 1.223 52 L HN 0.470 nan 8.230 nan 0.000 0.421 53 D N 2.681 123.072 120.400 -0.016 0.000 2.352 53 D HA 0.370 5.015 4.640 0.008 0.000 0.245 53 D C 0.392 176.685 176.300 -0.012 0.000 1.224 53 D CA 0.081 54.072 54.000 -0.015 0.000 0.879 53 D CB 1.447 42.237 40.800 -0.017 0.000 1.057 53 D HN 0.643 nan 8.370 nan 0.000 0.491 54 A N 3.420 126.237 122.820 -0.005 0.000 2.500 54 A HA 0.538 4.863 4.320 0.008 0.000 0.267 54 A C 0.901 178.488 177.584 0.006 0.000 1.290 54 A CA -0.104 51.934 52.037 0.002 0.000 0.928 54 A CB -0.108 18.899 19.000 0.012 0.000 1.066 54 A HN 0.606 nan 8.150 nan 0.000 0.516 55 A N -0.457 122.364 122.820 0.002 0.000 2.567 55 A HA 0.421 4.746 4.320 0.008 0.000 0.240 55 A C 1.660 179.249 177.584 0.008 0.000 1.053 55 A CA 0.780 52.821 52.037 0.007 0.000 0.755 55 A CB -0.626 18.376 19.000 0.003 0.000 0.978 55 A HN 2.015 nan 8.150 nan 0.000 0.507 56 G N 1.477 110.287 108.800 0.017 0.000 2.168 56 G HA2 -0.227 3.738 3.960 0.008 0.000 0.263 56 G HA3 -0.227 3.738 3.960 0.008 0.000 0.263 56 G C 0.260 175.170 174.900 0.018 0.000 0.977 56 G CA 0.972 46.083 45.100 0.018 0.000 0.659 56 G HN 0.801 nan 8.290 nan 0.000 0.533 57 K N -0.677 119.735 120.400 0.019 0.000 2.346 57 K HA 0.770 5.095 4.320 0.008 0.000 0.238 57 K C 0.225 176.853 176.600 0.047 0.000 1.039 57 K CA -0.895 55.405 56.287 0.020 0.000 0.861 57 K CB 1.391 33.892 32.500 0.002 0.000 1.278 57 K HN 0.152 nan 8.250 nan 0.000 0.460 58 L N 1.046 122.312 121.223 0.072 0.000 2.317 58 L HA 0.448 4.793 4.340 0.008 0.000 0.281 58 L C -0.394 176.535 176.870 0.098 0.000 1.024 58 L CA -1.248 53.648 54.840 0.093 0.000 0.810 58 L CB 1.749 43.876 42.059 0.114 0.000 1.240 58 L HN 0.108 nan 8.230 nan 0.000 0.427 59 V N 4.986 124.945 119.914 0.076 0.000 2.275 59 V HA 0.375 4.499 4.120 0.008 0.000 0.272 59 V C 0.085 176.217 176.094 0.064 0.000 1.028 59 V CA -0.312 62.030 62.300 0.070 0.000 0.810 59 V CB 1.011 32.867 31.823 0.054 0.000 1.043 59 V HN 0.495 nan 8.190 nan 0.000 0.453 60 L N 5.910 127.171 121.223 0.064 0.000 2.331 60 L HA 0.615 4.960 4.340 0.008 0.000 0.275 60 L C -2.483 174.406 176.870 0.031 0.000 1.022 60 L CA -2.233 52.631 54.840 0.041 0.000 0.812 60 L CB 1.771 43.830 42.059 -0.000 0.000 1.257 60 L HN 0.304 nan 8.230 nan 0.000 0.435 61 P HA 0.042 nan 4.420 nan 0.000 0.268 61 P C 0.027 177.322 177.300 -0.008 0.000 1.205 61 P CA -0.133 62.972 63.100 0.008 0.000 0.771 61 P CB 0.515 32.219 31.700 0.007 0.000 0.858 62 G N 2.488 111.289 108.800 0.001 0.000 2.432 62 G HA2 0.349 4.313 3.960 0.008 0.000 0.239 62 G HA3 0.349 4.313 3.960 0.008 0.000 0.239 62 G C 0.504 175.387 174.900 -0.027 0.000 1.291 62 G CA -0.153 44.947 45.100 0.001 0.000 0.863 62 G HN 0.613 nan 8.290 nan 0.000 0.560 63 G N -0.013 108.765 108.800 -0.037 0.000 2.432 63 G HA2 0.390 4.355 3.960 0.008 0.000 0.239 63 G HA3 0.390 4.355 3.960 0.008 0.000 0.239 63 G C -0.056 174.826 174.900 -0.030 0.000 1.291 63 G CA -0.487 44.575 45.100 -0.063 0.000 0.863 63 G HN 0.643 nan 8.290 nan 0.000 0.560 64 I N 2.032 122.583 120.570 -0.032 0.000 2.359 64 I HA 0.124 4.299 4.170 0.008 0.000 0.284 64 I C -0.489 175.639 176.117 0.019 0.000 1.018 64 I CA -0.707 60.589 61.300 -0.006 0.000 1.173 64 I CB 1.586 39.586 38.000 0.000 0.000 1.326 64 I HN 0.321 nan 8.210 nan 0.000 0.462 65 D N 4.748 125.167 120.400 0.032 0.000 2.295 65 D HA 0.079 4.723 4.640 0.008 0.000 0.248 65 D C 1.188 177.533 176.300 0.076 0.000 1.154 65 D CA -0.118 53.926 54.000 0.073 0.000 0.857 65 D CB 1.462 42.309 40.800 0.080 0.000 1.117 65 D HN 0.633 nan 8.370 nan 0.000 0.468 66 T N 0.654 115.296 114.554 0.148 0.000 3.100 66 T HA 0.042 4.396 4.350 0.008 0.000 0.253 66 T C 0.634 175.454 174.700 0.201 0.000 1.118 66 T CA 0.287 62.472 62.100 0.142 0.000 1.058 66 T CB -0.176 68.889 68.868 0.329 0.000 0.953 66 T HN 0.524 nan 8.240 nan 0.000 0.515 67 H N 1.226 120.397 119.070 0.170 0.000 3.162 67 H HA 0.442 5.003 4.556 0.008 0.000 0.309 67 H C -0.939 174.517 175.328 0.213 0.000 1.156 67 H CA -0.494 55.732 56.048 0.296 0.000 1.586 67 H CB 0.861 30.825 29.762 0.336 0.000 1.740 67 H HN 0.350 nan 8.280 nan 0.000 0.525 68 T N 0.877 115.599 114.554 0.279 0.000 2.906 68 T HA 0.340 4.695 4.350 0.008 0.000 0.295 68 T C -0.581 174.104 174.700 -0.024 0.000 1.075 68 T CA -0.956 61.252 62.100 0.180 0.000 1.005 68 T CB 1.955 70.877 68.868 0.089 0.000 1.136 68 T HN 0.614 nan 8.240 nan 0.000 0.498 69 H N 2.313 121.480 119.070 0.162 0.000 2.379 69 H HA 0.250 4.810 4.556 0.008 0.000 0.229 69 H C -0.157 175.174 175.328 0.005 0.000 1.423 69 H CA -0.701 55.399 56.048 0.086 0.000 1.375 69 H CB 0.480 30.257 29.762 0.026 0.000 1.592 69 H HN 0.443 nan 8.280 nan 0.000 0.507 70 M N 1.353 120.862 119.600 -0.152 0.000 2.248 70 M HA 0.001 4.486 4.480 0.008 0.000 0.337 70 M C 1.020 177.136 176.300 -0.307 0.000 1.121 70 M CA 0.257 55.267 55.300 -0.482 0.000 1.155 70 M CB 0.051 31.861 32.600 -1.317 0.000 1.514 70 M HN 0.522 nan 8.290 nan 0.000 0.452 71 Q N 0.352 119.999 119.800 -0.255 0.000 2.417 71 Q HA -0.219 4.125 4.340 0.008 0.000 0.368 71 Q C -1.337 174.645 176.000 -0.031 0.000 1.359 71 Q CA 0.638 56.324 55.803 -0.194 0.000 1.122 71 Q CB -1.813 26.742 28.738 -0.305 0.000 1.295 71 Q HN 0.480 nan 8.270 nan 0.000 0.337 72 F N 2.311 122.243 119.950 -0.032 0.000 2.402 72 F HA 0.532 5.063 4.527 0.007 0.000 0.355 72 F C -2.507 173.432 175.800 0.231 0.000 1.123 72 F CA -3.312 54.806 58.000 0.197 0.000 1.021 72 F CB 1.539 40.730 39.000 0.319 0.000 1.160 72 F HN 0.042 nan 8.300 nan 0.000 0.451 73 P HA 0.029 nan 4.420 nan 0.000 0.263 73 P C -0.027 177.062 177.300 -0.350 0.000 1.601 73 P CA 0.399 63.429 63.100 -0.117 0.000 1.161 73 P CB -0.203 31.503 31.700 0.010 0.000 1.730 74 F N 3.759 123.379 119.950 -0.551 0.000 2.258 74 F HA 0.299 4.830 4.527 0.007 0.000 0.262 74 F C 0.928 176.578 175.800 -0.251 0.000 1.124 74 F CA 0.598 58.243 58.000 -0.592 0.000 1.069 74 F CB -0.160 38.675 39.000 -0.276 0.000 1.081 74 F HN 0.024 nan 8.300 nan 0.000 0.555 75 M N -0.077 119.291 119.600 -0.386 0.000 1.998 75 M HA 0.580 5.064 4.480 0.008 0.000 0.289 75 M C 0.268 176.402 176.300 -0.277 0.000 0.886 75 M CA 0.047 55.072 55.300 -0.458 0.000 0.853 75 M CB 1.289 33.468 32.600 -0.702 0.000 1.462 75 M HN 0.549 nan 8.290 nan 0.000 0.375 76 G N 1.835 110.531 108.800 -0.174 0.000 2.397 76 G HA2 -0.248 3.716 3.960 0.008 0.000 0.211 76 G HA3 -0.248 3.716 3.960 0.008 0.000 0.211 76 G C 0.041 174.905 174.900 -0.061 0.000 1.077 76 G CA 0.283 45.311 45.100 -0.120 0.000 0.649 76 G HN 1.041 nan 8.290 nan 0.000 0.511 77 S N -0.762 114.924 115.700 -0.024 0.000 2.819 77 S HA 0.804 5.279 4.470 0.008 0.000 0.299 77 S C -0.522 174.172 174.600 0.155 0.000 1.192 77 S CA 0.078 58.314 58.200 0.061 0.000 0.847 77 S CB 1.777 65.033 63.200 0.095 0.000 1.224 77 S HN 1.481 nan 8.310 nan 0.000 0.537 78 R N -0.102 120.491 120.500 0.155 0.000 2.732 78 R HA 0.749 5.093 4.340 0.008 0.000 0.278 78 R C -0.412 175.942 176.300 0.090 0.000 0.976 78 R CA -0.381 55.789 56.100 0.117 0.000 0.963 78 R CB 1.199 31.471 30.300 -0.048 0.000 1.150 78 R HN 0.761 nan 8.270 nan 0.000 0.478 79 S N 2.122 117.728 115.700 -0.156 0.000 2.549 79 S HA 0.082 4.557 4.470 0.008 0.000 0.279 79 S C 1.246 175.680 174.600 -0.277 0.000 1.321 79 S CA -0.731 57.123 58.200 -0.577 0.000 1.054 79 S CB 0.271 63.098 63.200 -0.621 0.000 0.899 79 S HN 0.671 nan 8.310 nan 0.000 0.497 80 I N -0.646 119.786 120.570 -0.230 0.000 2.546 80 I HA 0.092 4.267 4.170 0.008 0.000 0.255 80 I C 0.394 176.443 176.117 -0.113 0.000 1.163 80 I CA 0.317 61.552 61.300 -0.110 0.000 1.457 80 I CB -0.771 37.211 38.000 -0.031 0.000 1.092 80 I HN 0.404 nan 8.210 nan 0.000 0.434 81 D N 3.623 123.935 120.400 -0.148 0.000 2.348 81 D HA 0.060 4.704 4.640 0.008 0.000 0.259 81 D C -0.102 176.084 176.300 -0.191 0.000 1.296 81 D CA 0.190 54.105 54.000 -0.141 0.000 0.931 81 D CB 0.344 41.063 40.800 -0.136 0.000 1.067 81 D HN 0.441 nan 8.370 nan 0.000 0.503 82 D N 0.550 120.855 120.400 -0.158 0.000 2.506 82 D HA 0.043 4.688 4.640 0.008 0.000 0.272 82 D C 1.018 177.207 176.300 -0.184 0.000 1.214 82 D CA -0.631 53.256 54.000 -0.187 0.000 1.067 82 D CB 0.186 40.934 40.800 -0.087 0.000 1.117 82 D HN 0.076 nan 8.370 nan 0.000 0.578 83 F N -0.963 118.960 119.950 -0.044 0.000 2.451 83 F HA -0.107 4.425 4.527 0.008 0.000 0.299 83 F C 2.244 178.021 175.800 -0.039 0.000 1.101 83 F CA 0.930 58.894 58.000 -0.061 0.000 1.436 83 F CB -0.386 38.554 39.000 -0.099 0.000 1.074 83 F HN 0.525 nan 8.300 nan 0.000 0.553 84 H N -0.467 118.632 119.070 0.048 0.000 2.300 84 H HA -0.082 4.478 4.556 0.008 0.000 0.312 84 H C 2.138 177.427 175.328 -0.065 0.000 1.057 84 H CA 1.368 57.409 56.048 -0.011 0.000 1.380 84 H CB -0.095 29.652 29.762 -0.025 0.000 1.424 84 H HN 0.132 nan 8.280 nan 0.000 0.534 85 Q N 0.724 120.452 119.800 -0.120 0.000 2.170 85 Q HA -0.027 4.318 4.340 0.008 0.000 0.203 85 Q C 2.393 178.287 176.000 -0.177 0.000 0.976 85 Q CA 1.632 57.322 55.803 -0.188 0.000 0.858 85 Q CB -0.778 27.931 28.738 -0.047 0.000 0.907 85 Q HN 0.610 nan 8.270 nan 0.000 0.433 86 G N -0.961 107.757 108.800 -0.138 0.000 2.422 86 G HA2 -0.262 3.702 3.960 0.008 0.000 0.218 86 G HA3 -0.262 3.702 3.960 0.008 0.000 0.218 86 G C 1.464 176.304 174.900 -0.100 0.000 1.146 86 G CA 1.476 46.502 45.100 -0.124 0.000 0.769 86 G HN 0.561 nan 8.290 nan 0.000 0.547 87 T N -1.098 113.396 114.554 -0.101 0.000 2.942 87 T HA 0.084 4.438 4.350 0.008 0.000 0.265 87 T C 2.133 176.757 174.700 -0.126 0.000 1.062 87 T CA 1.381 63.438 62.100 -0.072 0.000 1.139 87 T CB -0.064 68.787 68.868 -0.028 0.000 0.883 87 T HN 0.301 nan 8.240 nan 0.000 0.468 88 K N 1.520 121.759 120.400 -0.268 0.000 2.032 88 K HA 0.038 4.362 4.320 0.008 0.000 0.209 88 K C 2.607 179.103 176.600 -0.173 0.000 1.048 88 K CA 1.345 57.396 56.287 -0.395 0.000 0.927 88 K CB -0.620 31.441 32.500 -0.731 0.000 0.712 88 K HN 0.415 nan 8.250 nan 0.000 0.441 89 A N 0.685 123.436 122.820 -0.114 0.000 1.933 89 A HA -0.092 4.232 4.320 0.008 0.000 0.218 89 A C 2.284 179.851 177.584 -0.029 0.000 1.175 89 A CA 1.803 53.834 52.037 -0.010 0.000 0.628 89 A CB -0.826 18.159 19.000 -0.025 0.000 0.814 89 A HN 0.450 nan 8.150 nan 0.000 0.444 90 A N -0.073 122.726 122.820 -0.035 0.000 1.883 90 A HA -0.112 4.212 4.320 0.008 0.000 0.217 90 A C 2.162 179.727 177.584 -0.031 0.000 1.186 90 A CA 1.641 53.669 52.037 -0.016 0.000 0.624 90 A CB -0.672 18.328 19.000 -0.001 0.000 0.822 90 A HN 0.481 nan 8.150 nan 0.000 0.444 91 L N 0.466 121.671 121.223 -0.030 0.000 2.141 91 L HA -0.157 4.187 4.340 0.008 0.000 0.209 91 L C 2.852 179.572 176.870 -0.250 0.000 1.094 91 L CA 1.467 56.288 54.840 -0.032 0.000 0.763 91 L CB -0.419 41.686 42.059 0.076 0.000 0.908 91 L HN 0.609 nan 8.230 nan 0.000 0.437 92 S N -0.801 114.644 115.700 -0.424 0.000 2.507 92 S HA -0.045 4.429 4.470 0.008 0.000 0.235 92 S C 1.688 175.902 174.600 -0.642 0.000 0.988 92 S CA 0.775 58.269 58.200 -1.176 0.000 0.944 92 S CB -0.218 62.385 63.200 -0.995 0.000 0.762 92 S HN 0.429 nan 8.310 nan 0.000 0.526 93 G N -0.387 108.270 108.800 -0.239 0.000 2.944 93 G HA2 0.490 4.455 3.960 0.008 0.000 0.220 93 G HA3 0.490 4.455 3.960 0.008 0.000 0.220 93 G C 0.906 175.874 174.900 0.115 0.000 1.100 93 G CA 0.038 45.120 45.100 -0.030 0.000 0.780 93 G HN 1.306 nan 8.290 nan 0.000 0.539 94 G N -0.783 108.060 108.800 0.072 0.000 2.192 94 G HA2 -0.192 3.773 3.960 0.008 0.000 0.193 94 G HA3 -0.192 3.773 3.960 0.008 0.000 0.193 94 G C 0.145 175.093 174.900 0.081 0.000 0.999 94 G CA 0.149 45.348 45.100 0.164 0.000 0.659 94 G HN 0.500 nan 8.290 nan 0.000 0.503 95 T N 1.690 116.271 114.554 0.046 0.000 2.733 95 T HA 0.511 4.866 4.350 0.008 0.000 0.294 95 T C 1.320 176.035 174.700 0.025 0.000 0.956 95 T CA 0.509 62.625 62.100 0.027 0.000 0.987 95 T CB 1.361 70.246 68.868 0.029 0.000 0.920 95 T HN 0.574 nan 8.240 nan 0.000 0.470 96 T N 0.572 115.140 114.554 0.023 0.000 3.054 96 T HA 0.432 4.787 4.350 0.008 0.000 0.255 96 T C 0.293 175.008 174.700 0.026 0.000 1.035 96 T CA -0.306 61.811 62.100 0.028 0.000 0.941 96 T CB 0.116 69.001 68.868 0.027 0.000 1.026 96 T HN 0.499 nan 8.240 nan 0.000 0.533 97 M N 1.871 121.483 119.600 0.020 0.000 2.371 97 M HA 0.593 5.077 4.480 0.008 0.000 0.287 97 M C -2.101 174.215 176.300 0.026 0.000 1.149 97 M CA -1.274 54.038 55.300 0.020 0.000 0.929 97 M CB 2.561 35.151 32.600 -0.018 0.000 1.683 97 M HN 0.325 nan 8.290 nan 0.000 0.470 98 I N 2.029 122.633 120.570 0.058 0.000 2.569 98 I HA 0.627 4.801 4.170 0.008 0.000 0.296 98 I C -1.370 174.753 176.117 0.009 0.000 1.028 98 I CA -0.870 60.461 61.300 0.052 0.000 1.082 98 I CB 2.028 40.084 38.000 0.092 0.000 1.264 98 I HN 0.646 nan 8.210 nan 0.000 0.429 99 I N 4.558 125.062 120.570 -0.111 0.000 2.405 99 I HA 0.357 4.531 4.170 0.008 0.000 0.280 99 I C -0.307 175.588 176.117 -0.369 0.000 1.027 99 I CA -0.306 60.782 61.300 -0.355 0.000 1.161 99 I CB 0.902 38.456 38.000 -0.742 0.000 1.300 99 I HN 0.671 nan 8.210 nan 0.000 0.463 100 D N 4.694 124.983 120.400 -0.185 0.000 2.423 100 D HA 0.404 5.049 4.640 0.008 0.000 0.255 100 D C -1.117 174.945 176.300 -0.396 0.000 1.174 100 D CA -0.165 53.775 54.000 -0.100 0.000 1.008 100 D CB 1.531 42.537 40.800 0.343 0.000 1.101 100 D HN 0.123 nan 8.370 nan 0.000 0.516 101 F N 0.102 119.869 119.950 -0.304 0.000 2.444 101 F HA 0.428 4.960 4.527 0.008 0.000 0.342 101 F C 0.534 175.836 175.800 -0.831 0.000 1.121 101 F CA -0.838 56.906 58.000 -0.427 0.000 0.997 101 F CB 1.891 40.622 39.000 -0.448 0.000 1.130 101 F HN 0.186 nan 8.300 nan 0.000 0.454 102 A N 5.657 128.091 122.820 -0.643 0.000 2.391 102 A HA 0.597 4.922 4.320 0.008 0.000 0.316 102 A C -0.509 176.638 177.584 -0.728 0.000 1.381 102 A CA -0.443 50.919 52.037 -1.125 0.000 0.998 102 A CB -0.426 18.341 19.000 -0.388 0.000 1.147 102 A HN 0.580 nan 8.150 nan 0.000 0.545 103 I N 5.419 125.368 120.570 -1.035 0.000 2.330 103 I HA 0.291 4.466 4.170 0.008 0.000 0.286 103 I C -2.242 173.963 176.117 0.147 0.000 1.025 103 I CA -1.958 59.194 61.300 -0.247 0.000 1.197 103 I CB 1.010 38.945 38.000 -0.107 0.000 1.358 103 I HN 0.414 nan 8.210 nan 0.000 0.467 104 P HA 0.259 nan 4.420 nan 0.000 0.279 104 P C -0.500 177.051 177.300 0.420 0.000 1.252 104 P CA -0.609 62.710 63.100 0.364 0.000 0.811 104 P CB 1.207 33.129 31.700 0.370 0.000 1.035 105 Q N 0.694 120.714 119.800 0.366 0.000 2.382 105 Q HA 0.184 4.529 4.340 0.008 0.000 0.229 105 Q C 0.194 176.294 176.000 0.166 0.000 1.006 105 Q CA -0.264 55.714 55.803 0.291 0.000 0.916 105 Q CB 0.539 29.380 28.738 0.172 0.000 1.235 105 Q HN 0.354 nan 8.270 nan 0.000 0.512 106 K N 0.258 120.698 120.400 0.067 0.000 2.453 106 K HA 0.088 4.412 4.320 0.008 0.000 0.280 106 K C 0.757 177.011 176.600 -0.577 0.000 1.045 106 K CA 0.979 57.151 56.287 -0.191 0.000 1.059 106 K CB -0.121 32.341 32.500 -0.063 0.000 0.901 106 K HN 0.914 nan 8.250 nan 0.000 0.475 107 G N 2.253 110.137 108.800 -1.527 0.000 2.217 107 G HA2 -0.233 3.732 3.960 0.008 0.000 0.246 107 G HA3 -0.233 3.732 3.960 0.008 0.000 0.246 107 G C 0.456 174.951 174.900 -0.674 0.000 0.990 107 G CA -0.189 44.085 45.100 -1.377 0.000 0.627 107 G HN 0.840 nan 8.290 nan 0.000 0.522 108 G N 0.062 108.710 108.800 -0.254 0.000 2.448 108 G HA2 0.577 4.541 3.960 0.008 0.000 0.285 108 G HA3 0.577 4.541 3.960 0.008 0.000 0.285 108 G C 0.329 175.488 174.900 0.432 0.000 1.176 108 G CA 0.973 46.153 45.100 0.133 0.000 0.852 108 G HN 1.257 nan 8.290 nan 0.000 0.530 109 S N 0.656 116.547 115.700 0.318 0.000 2.549 109 S HA 0.144 4.619 4.470 0.008 0.000 0.279 109 S C 1.633 176.394 174.600 0.270 0.000 1.321 109 S CA -0.779 57.603 58.200 0.303 0.000 1.054 109 S CB 0.447 63.763 63.200 0.192 0.000 0.899 109 S HN 0.411 nan 8.310 nan 0.000 0.497 110 L N 5.178 126.530 121.223 0.214 0.000 2.072 110 L HA -0.031 4.314 4.340 0.008 0.000 0.205 110 L C 2.382 179.356 176.870 0.174 0.000 1.079 110 L CA 1.399 56.349 54.840 0.184 0.000 0.752 110 L CB -0.856 41.276 42.059 0.122 0.000 0.906 110 L HN 0.852 nan 8.230 nan 0.000 0.436 111 I N -1.799 118.848 120.570 0.127 0.000 2.361 111 I HA -0.236 3.939 4.170 0.008 0.000 0.251 111 I C 2.378 178.601 176.117 0.177 0.000 1.133 111 I CA 1.529 62.906 61.300 0.128 0.000 1.413 111 I CB -0.451 37.585 38.000 0.060 0.000 1.073 111 I HN 0.263 nan 8.210 nan 0.000 0.424 112 E N 1.698 121.987 120.200 0.149 0.000 2.072 112 E HA -0.195 4.159 4.350 0.008 0.000 0.191 112 E C 2.318 179.000 176.600 0.138 0.000 0.985 112 E CA 1.356 57.830 56.400 0.123 0.000 0.801 112 E CB -0.135 29.636 29.700 0.118 0.000 0.750 112 E HN 0.632 nan 8.360 nan 0.000 0.452 113 A N 0.476 123.423 122.820 0.211 0.000 1.902 113 A HA -0.166 4.159 4.320 0.008 0.000 0.217 113 A C 2.009 179.765 177.584 0.286 0.000 1.181 113 A CA 1.251 53.466 52.037 0.297 0.000 0.623 113 A CB -0.880 18.295 19.000 0.291 0.000 0.818 113 A HN 0.517 nan 8.150 nan 0.000 0.443 114 F N 0.992 120.979 119.950 0.061 0.000 2.095 114 F HA -0.176 4.356 4.527 0.008 0.000 0.298 114 F C 2.178 177.950 175.800 -0.046 0.000 1.104 114 F CA 2.301 60.296 58.000 -0.009 0.000 1.232 114 F CB -0.260 38.708 39.000 -0.054 0.000 0.987 114 F HN 0.360 nan 8.300 nan 0.000 0.475 115 E N -0.645 119.551 120.200 -0.007 0.000 2.106 115 E HA -0.160 4.195 4.350 0.008 0.000 0.192 115 E C 2.099 178.537 176.600 -0.271 0.000 0.984 115 E CA 1.725 58.031 56.400 -0.157 0.000 0.806 115 E CB -0.298 29.390 29.700 -0.021 0.000 0.750 115 E HN 0.401 nan 8.360 nan 0.000 0.458 116 T N 0.418 114.815 114.554 -0.262 0.000 2.674 116 T HA -0.179 4.176 4.350 0.008 0.000 0.265 116 T C 1.367 175.507 174.700 -0.933 0.000 1.039 116 T CA 0.852 62.598 62.100 -0.590 0.000 1.150 116 T CB -0.328 68.190 68.868 -0.583 0.000 0.864 116 T HN 0.356 nan 8.240 nan 0.000 0.427 117 W N 2.066 122.920 121.300 -0.742 0.000 2.374 117 W HA -0.013 4.651 4.660 0.007 0.000 0.288 117 W C 2.529 178.759 176.519 -0.481 0.000 1.218 117 W CA 0.766 57.815 57.345 -0.493 0.000 1.245 117 W CB -0.292 29.041 29.460 -0.213 0.000 1.126 117 W HN 0.280 nan 8.180 nan 0.000 0.545 118 R N 0.135 120.400 120.500 -0.392 0.000 2.075 118 R HA -0.125 4.220 4.340 0.008 0.000 0.232 118 R C 2.418 178.546 176.300 -0.288 0.000 1.126 118 R CA 1.939 57.792 56.100 -0.411 0.000 0.963 118 R CB -0.736 29.195 30.300 -0.614 0.000 0.858 118 R HN 0.066 nan 8.270 nan 0.000 0.435 119 S N -0.349 115.175 115.700 -0.292 0.000 2.423 119 S HA -0.117 4.358 4.470 0.008 0.000 0.231 119 S C 1.546 176.120 174.600 -0.042 0.000 1.014 119 S CA 0.438 58.534 58.200 -0.173 0.000 0.965 119 S CB -0.289 62.806 63.200 -0.175 0.000 0.785 119 S HN 0.355 nan 8.310 nan 0.000 0.495 120 W N 1.957 123.121 121.300 -0.228 0.000 2.418 120 W HA 0.384 5.048 4.660 0.008 0.000 0.292 120 W C 2.875 179.211 176.519 -0.306 0.000 1.213 120 W CA 0.023 57.239 57.345 -0.216 0.000 1.283 120 W CB -1.223 28.107 29.460 -0.217 0.000 1.119 120 W HN 0.495 nan 8.180 nan 0.000 0.542 121 A N -0.109 122.474 122.820 -0.395 0.000 1.887 121 A HA -0.077 4.247 4.320 0.008 0.000 0.212 121 A C 1.798 179.170 177.584 -0.352 0.000 1.198 121 A CA 1.377 52.933 52.037 -0.801 0.000 0.628 121 A CB -0.777 17.207 19.000 -1.693 0.000 0.847 121 A HN 0.000 nan 8.150 nan 0.000 0.449 122 D N 0.302 120.601 120.400 -0.169 0.000 2.154 122 D HA -0.151 4.493 4.640 0.008 0.000 0.190 122 D C -0.559 175.746 176.300 0.008 0.000 1.003 122 D CA 2.144 56.145 54.000 0.003 0.000 0.849 122 D CB -1.362 39.442 40.800 0.006 0.000 0.942 122 D HN 0.401 nan 8.370 nan 0.000 0.446 123 P HA -0.011 nan 4.420 nan 0.000 0.236 123 P C 1.085 178.399 177.300 0.022 0.000 1.177 123 P CA 1.039 64.144 63.100 0.010 0.000 0.773 123 P CB 0.231 31.933 31.700 0.003 0.000 0.878 124 K N -0.049 120.368 120.400 0.028 0.000 2.214 124 K HA 0.092 4.417 4.320 0.008 0.000 0.201 124 K C 0.856 177.540 176.600 0.141 0.000 1.049 124 K CA 0.295 56.639 56.287 0.095 0.000 0.978 124 K CB -0.047 32.535 32.500 0.138 0.000 0.842 124 K HN 0.024 nan 8.250 nan 0.000 0.474 125 V N 0.245 120.190 119.914 0.052 0.000 2.694 125 V HA -0.094 4.030 4.120 0.008 0.000 0.306 125 V C 0.925 177.064 176.094 0.076 0.000 1.054 125 V CA -0.139 62.188 62.300 0.045 0.000 1.161 125 V CB 0.881 32.672 31.823 -0.054 0.000 0.916 125 V HN 0.252 nan 8.190 nan 0.000 0.490 126 C N 3.348 122.674 119.300 0.044 0.000 2.791 126 C HA 0.334 4.798 4.460 0.008 0.000 0.288 126 C C 1.260 176.282 174.990 0.053 0.000 1.271 126 C CA 0.269 59.306 59.018 0.032 0.000 1.726 126 C CB -1.007 26.700 27.740 -0.055 0.000 2.145 126 C HN 1.131 nan 8.230 nan 0.000 0.572 127 C N -0.463 118.876 119.300 0.065 0.000 2.848 127 C HA 0.634 5.098 4.460 0.008 0.000 0.317 127 C C -0.703 174.359 174.990 0.121 0.000 1.260 127 C CA -1.003 58.061 59.018 0.076 0.000 1.656 127 C CB 0.331 28.106 27.740 0.059 0.000 2.174 127 C HN 0.310 nan 8.230 nan 0.000 0.479 128 D N 1.106 121.560 120.400 0.090 0.000 2.419 128 D HA 0.399 5.043 4.640 0.008 0.000 0.236 128 D C -0.403 175.986 176.300 0.148 0.000 1.165 128 D CA 1.068 55.118 54.000 0.083 0.000 0.882 128 D CB 0.347 41.139 40.800 -0.013 0.000 1.201 128 D HN 0.840 nan 8.370 nan 0.000 0.443 129 Y N -1.784 118.475 120.300 -0.068 0.000 2.670 129 Y HA 0.619 5.173 4.550 0.008 0.000 0.334 129 Y C -1.045 174.747 175.900 -0.179 0.000 1.185 129 Y CA -0.951 57.104 58.100 -0.076 0.000 1.053 129 Y CB 1.083 39.557 38.460 0.023 0.000 1.298 129 Y HN 0.267 nan 8.280 nan 0.000 0.459 130 S N 0.404 115.929 115.700 -0.292 0.000 2.776 130 S HA 0.832 5.307 4.470 0.008 0.000 0.292 130 S C -2.163 172.368 174.600 -0.115 0.000 1.187 130 S CA -0.871 57.069 58.200 -0.434 0.000 0.834 130 S CB 1.273 64.121 63.200 -0.587 0.000 1.199 130 S HN 0.747 nan 8.310 nan 0.000 0.514 131 L N 2.726 123.907 121.223 -0.071 0.000 2.410 131 L HA 0.542 4.887 4.340 0.008 0.000 0.270 131 L C -0.678 175.924 176.870 -0.448 0.000 0.983 131 L CA -0.883 53.847 54.840 -0.183 0.000 0.822 131 L CB 1.853 43.962 42.059 0.083 0.000 1.285 131 L HN 0.695 nan 8.230 nan 0.000 0.409 132 H N 2.115 120.847 119.070 -0.564 0.000 2.551 132 H HA 0.461 5.021 4.556 0.008 0.000 0.358 132 H C -0.605 174.507 175.328 -0.361 0.000 1.151 132 H CA -0.391 55.284 56.048 -0.622 0.000 1.374 132 H CB 2.172 31.303 29.762 -1.051 0.000 1.473 132 H HN 0.172 nan 8.280 nan 0.000 0.574 133 V N 1.205 121.031 119.914 -0.146 0.000 2.588 133 V HA 0.404 4.528 4.120 0.008 0.000 0.304 133 V C 0.103 176.317 176.094 0.199 0.000 1.042 133 V CA -1.002 61.304 62.300 0.009 0.000 0.877 133 V CB 1.575 33.414 31.823 0.027 0.000 0.996 133 V HN 0.935 nan 8.190 nan 0.000 0.425 134 A N 4.315 127.262 122.820 0.212 0.000 2.328 134 A HA 0.664 4.988 4.320 0.008 0.000 0.284 134 A C -0.261 177.512 177.584 0.315 0.000 1.160 134 A CA -0.351 51.861 52.037 0.292 0.000 0.818 134 A CB 0.769 19.947 19.000 0.295 0.000 1.087 134 A HN 0.745 nan 8.150 nan 0.000 0.504 135 V N 4.064 124.180 119.914 0.337 0.000 2.322 135 V HA 0.139 4.264 4.120 0.008 0.000 0.258 135 V C 1.404 177.707 176.094 0.347 0.000 1.074 135 V CA 0.685 63.147 62.300 0.271 0.000 0.909 135 V CB -0.068 31.894 31.823 0.231 0.000 1.090 135 V HN 1.084 nan 8.190 nan 0.000 0.486 136 T N 0.256 115.049 114.554 0.398 0.000 3.060 136 T HA 0.118 4.472 4.350 0.008 0.000 0.249 136 T C 0.242 175.303 174.700 0.602 0.000 1.079 136 T CA -0.149 62.263 62.100 0.520 0.000 1.013 136 T CB 0.241 69.436 68.868 0.545 0.000 0.975 136 T HN 0.713 nan 8.240 nan 0.000 0.518 137 W N -1.253 120.211 121.300 0.274 0.000 3.025 137 W HA 0.611 5.275 4.660 0.007 0.000 0.343 137 W C -2.185 174.532 176.519 0.331 0.000 1.246 137 W CA -2.493 55.006 57.345 0.255 0.000 1.178 137 W CB 0.322 29.891 29.460 0.181 0.000 1.463 137 W HN 0.018 nan 8.180 nan 0.000 0.578 138 W N 3.165 124.527 121.300 0.102 0.000 2.781 138 W HA 0.484 5.149 4.660 0.008 0.000 0.333 138 W C -1.110 175.381 176.519 -0.047 0.000 1.047 138 W CA -0.423 56.856 57.345 -0.111 0.000 1.236 138 W CB 2.203 31.645 29.460 -0.029 0.000 1.394 138 W HN 0.690 nan 8.180 nan 0.000 0.466 139 S N 2.588 117.754 115.700 -0.892 0.000 2.757 139 S HA 0.269 4.743 4.470 0.008 0.000 0.285 139 S C -0.056 174.061 174.600 -0.805 0.000 1.196 139 S CA -0.526 57.325 58.200 -0.582 0.000 0.856 139 S CB 1.946 65.046 63.200 -0.166 0.000 1.212 139 S HN 0.387 nan 8.310 nan 0.000 0.516 140 D N 0.666 120.816 120.400 -0.416 0.000 2.224 140 D HA 0.018 4.663 4.640 0.008 0.000 0.205 140 D C 1.781 177.878 176.300 -0.339 0.000 0.965 140 D CA 1.217 55.013 54.000 -0.341 0.000 0.852 140 D CB -0.170 40.534 40.800 -0.161 0.000 0.947 140 D HN 0.575 nan 8.370 nan 0.000 0.494 141 Q N 0.052 119.666 119.800 -0.310 0.000 2.083 141 Q HA -0.040 4.305 4.340 0.008 0.000 0.198 141 Q C 2.364 178.138 176.000 -0.376 0.000 0.969 141 Q CA 0.653 56.312 55.803 -0.239 0.000 0.838 141 Q CB 0.146 28.838 28.738 -0.077 0.000 0.900 141 Q HN 0.118 nan 8.270 nan 0.000 0.436 142 V N 1.415 120.928 119.914 -0.669 0.000 2.343 142 V HA -0.271 3.854 4.120 0.008 0.000 0.247 142 V C 2.237 177.943 176.094 -0.647 0.000 1.051 142 V CA 1.806 63.651 62.300 -0.759 0.000 1.036 142 V CB -0.532 30.634 31.823 -1.096 0.000 0.654 142 V HN 0.297 nan 8.190 nan 0.000 0.451 143 K N -0.409 119.498 120.400 -0.821 0.000 2.074 143 K HA -0.243 4.081 4.320 0.008 0.000 0.209 143 K C 2.296 178.709 176.600 -0.311 0.000 1.048 143 K CA 1.701 57.630 56.287 -0.596 0.000 0.926 143 K CB -0.073 32.101 32.500 -0.544 0.000 0.713 143 K HN 0.370 nan 8.250 nan 0.000 0.444 144 E N 0.618 120.657 120.200 -0.268 0.000 2.076 144 E HA -0.133 4.222 4.350 0.008 0.000 0.190 144 E C 1.816 178.332 176.600 -0.140 0.000 0.979 144 E CA 0.977 57.279 56.400 -0.163 0.000 0.807 144 E CB 0.086 29.711 29.700 -0.126 0.000 0.761 144 E HN 0.354 nan 8.360 nan 0.000 0.454 145 E N 0.096 120.200 120.200 -0.161 0.000 2.209 145 E HA -0.164 4.191 4.350 0.008 0.000 0.196 145 E C 2.087 178.632 176.600 -0.092 0.000 0.993 145 E CA 0.823 57.158 56.400 -0.108 0.000 0.819 145 E CB -0.085 29.557 29.700 -0.097 0.000 0.745 145 E HN 0.261 nan 8.360 nan 0.000 0.477 146 M N 0.241 119.738 119.600 -0.172 0.000 2.175 146 M HA -0.167 4.317 4.480 0.008 0.000 0.264 146 M C 2.365 178.635 176.300 -0.051 0.000 1.063 146 M CA 1.297 56.467 55.300 -0.217 0.000 1.119 146 M CB -0.104 32.172 32.600 -0.540 0.000 1.377 146 M HN -0.094 nan 8.290 nan 0.000 0.415 147 K N 0.613 120.968 120.400 -0.075 0.000 2.097 147 K HA -0.120 4.204 4.320 0.008 0.000 0.205 147 K C 1.742 178.331 176.600 -0.018 0.000 1.050 147 K CA 0.975 57.243 56.287 -0.032 0.000 0.938 147 K CB 0.136 32.612 32.500 -0.040 0.000 0.718 147 K HN 0.185 nan 8.250 nan 0.000 0.442 148 I N 1.421 121.970 120.570 -0.035 0.000 2.252 148 I HA -0.243 3.931 4.170 0.008 0.000 0.245 148 I C 2.188 178.261 176.117 -0.073 0.000 1.102 148 I CA 1.253 62.525 61.300 -0.046 0.000 1.385 148 I CB -1.036 36.935 38.000 -0.049 0.000 1.064 148 I HN 0.213 nan 8.210 nan 0.000 0.414 149 L N 0.007 121.183 121.223 -0.078 0.000 2.127 149 L HA -0.192 4.153 4.340 0.008 0.000 0.211 149 L C 2.562 179.347 176.870 -0.142 0.000 1.089 149 L CA 0.793 55.521 54.840 -0.186 0.000 0.757 149 L CB -0.512 41.476 42.059 -0.118 0.000 0.899 149 L HN 0.048 nan 8.230 nan 0.000 0.434 150 V N -1.067 118.838 119.914 -0.016 0.000 2.346 150 V HA -0.215 3.910 4.120 0.008 0.000 0.244 150 V C 2.339 178.414 176.094 -0.032 0.000 1.037 150 V CA 1.417 63.707 62.300 -0.016 0.000 1.029 150 V CB -0.407 31.438 31.823 0.037 0.000 0.663 150 V HN 0.425 nan 8.190 nan 0.000 0.454 151 Q N -0.341 119.446 119.800 -0.022 0.000 2.079 151 Q HA -0.193 4.152 4.340 0.008 0.000 0.200 151 Q C 1.679 177.665 176.000 -0.023 0.000 0.974 151 Q CA 1.785 57.580 55.803 -0.014 0.000 0.840 151 Q CB -0.042 28.691 28.738 -0.008 0.000 0.898 151 Q HN 0.599 nan 8.270 nan 0.000 0.430 152 D N -1.123 119.251 120.400 -0.043 0.000 2.422 152 D HA 0.008 4.652 4.640 0.008 0.000 0.218 152 D C 1.139 177.414 176.300 -0.042 0.000 1.047 152 D CA 0.537 54.516 54.000 -0.036 0.000 0.885 152 D CB 0.457 41.236 40.800 -0.035 0.000 1.035 152 D HN -0.020 nan 8.370 nan 0.000 0.502 153 K N -0.236 120.096 120.400 -0.113 0.000 2.360 153 K HA 0.300 4.624 4.320 0.008 0.000 0.196 153 K C 0.847 177.436 176.600 -0.018 0.000 1.049 153 K CA 0.416 56.605 56.287 -0.163 0.000 1.049 153 K CB 1.419 33.524 32.500 -0.658 0.000 0.881 153 K HN 0.077 nan 8.250 nan 0.000 0.542 154 G N 2.016 110.796 108.800 -0.033 0.000 2.291 154 G HA2 -0.198 3.766 3.960 0.008 0.000 0.271 154 G HA3 -0.198 3.766 3.960 0.008 0.000 0.271 154 G C -0.285 174.592 174.900 -0.038 0.000 1.099 154 G CA 0.023 45.128 45.100 0.008 0.000 0.919 154 G HN 0.062 nan 8.290 nan 0.000 0.496 155 V N 0.737 120.561 119.914 -0.149 0.000 2.459 155 V HA 0.616 4.740 4.120 0.008 0.000 0.295 155 V C 0.504 176.455 176.094 -0.238 0.000 1.029 155 V CA -0.175 61.974 62.300 -0.253 0.000 0.874 155 V CB 1.921 33.488 31.823 -0.428 0.000 0.985 155 V HN 0.645 nan 8.190 nan 0.000 0.438 156 N N 1.370 119.930 118.700 -0.233 0.000 2.299 156 N HA 0.128 4.872 4.740 0.008 0.000 0.246 156 N C -0.360 175.089 175.510 -0.101 0.000 1.254 156 N CA -0.114 52.858 53.050 -0.129 0.000 0.879 156 N CB 0.959 39.416 38.487 -0.050 0.000 1.214 156 N HN 0.586 nan 8.380 nan 0.000 0.510 157 S N -0.771 114.727 115.700 -0.337 0.000 2.546 157 S HA 0.734 5.208 4.470 0.008 0.000 0.272 157 S C -1.424 172.859 174.600 -0.528 0.000 1.140 157 S CA -0.818 57.265 58.200 -0.195 0.000 0.920 157 S CB 0.692 63.932 63.200 0.066 0.000 1.083 157 S HN 0.049 nan 8.310 nan 0.000 0.476 158 F N 1.153 121.144 119.950 0.068 0.000 2.539 158 F HA 0.560 5.091 4.527 0.008 0.000 0.318 158 F C 0.126 175.981 175.800 0.093 0.000 1.135 158 F CA -0.669 57.382 58.000 0.083 0.000 0.915 158 F CB 2.278 41.337 39.000 0.097 0.000 1.176 158 F HN 0.618 nan 8.300 nan 0.000 0.440 159 K N 3.655 124.208 120.400 0.254 0.000 2.211 159 K HA 0.671 4.996 4.320 0.008 0.000 0.275 159 K C -1.175 175.490 176.600 0.107 0.000 1.024 159 K CA -0.576 55.779 56.287 0.113 0.000 0.887 159 K CB 0.861 33.372 32.500 0.019 0.000 1.084 159 K HN 0.604 nan 8.250 nan 0.000 0.463 160 M N 3.751 123.393 119.600 0.069 0.000 2.528 160 M HA 0.404 4.889 4.480 0.008 0.000 0.321 160 M C -1.143 175.174 176.300 0.027 0.000 1.153 160 M CA -0.352 55.039 55.300 0.151 0.000 0.951 160 M CB 1.348 34.065 32.600 0.196 0.000 1.705 160 M HN 0.332 nan 8.290 nan 0.000 0.451 161 F N 2.446 122.536 119.950 0.233 0.000 2.427 161 F HA 0.434 4.965 4.527 0.007 0.000 0.346 161 F C 1.013 176.955 175.800 0.236 0.000 1.120 161 F CA -0.366 57.796 58.000 0.270 0.000 1.033 161 F CB 1.138 40.330 39.000 0.319 0.000 1.126 161 F HN 0.606 nan 8.300 nan 0.000 0.462 162 M N 1.753 121.581 119.600 0.380 0.000 2.510 162 M HA 0.243 4.727 4.480 0.008 0.000 0.256 162 M C 0.874 177.329 176.300 0.258 0.000 1.132 162 M CA 0.254 55.720 55.300 0.278 0.000 1.105 162 M CB 0.244 32.986 32.600 0.236 0.000 1.375 162 M HN 0.625 nan 8.290 nan 0.000 0.477 163 A N -0.957 122.037 122.820 0.291 0.000 2.378 163 A HA 0.547 4.872 4.320 0.008 0.000 0.293 163 A C -0.768 176.942 177.584 0.211 0.000 1.250 163 A CA -0.482 51.622 52.037 0.112 0.000 0.915 163 A CB 0.034 18.954 19.000 -0.133 0.000 1.402 163 A HN 0.441 nan 8.150 nan 0.000 0.502 164 Y N -1.365 118.993 120.300 0.096 0.000 2.978 164 Y HA -0.151 4.403 4.550 0.007 0.000 0.142 164 Y C 0.534 176.440 175.900 0.011 0.000 1.837 164 Y CA 1.030 59.155 58.100 0.042 0.000 0.947 164 Y CB -1.359 37.126 38.460 0.041 0.000 1.519 164 Y HN 0.707 nan 8.280 nan 0.000 0.359 165 K N 2.237 122.696 120.400 0.099 0.000 2.401 165 K HA 0.048 4.372 4.320 0.008 0.000 0.278 165 K C 0.667 177.283 176.600 0.027 0.000 1.018 165 K CA 0.610 56.937 56.287 0.066 0.000 0.981 165 K CB 0.350 32.873 32.500 0.038 0.000 0.933 165 K HN 0.557 nan 8.250 nan 0.000 0.477 166 D N 1.629 122.043 120.400 0.024 0.000 3.059 166 D HA -0.230 4.415 4.640 0.008 0.000 0.220 166 D C 0.244 176.501 176.300 -0.071 0.000 1.169 166 D CA 1.175 55.167 54.000 -0.013 0.000 0.902 166 D CB -0.674 40.111 40.800 -0.025 0.000 1.116 166 D HN 0.469 nan 8.370 nan 0.000 0.417 167 L N -2.247 118.911 121.223 -0.108 0.000 2.678 167 L HA 0.211 4.556 4.340 0.008 0.000 0.187 167 L C 1.095 177.717 176.870 -0.414 0.000 1.073 167 L CA 0.832 55.453 54.840 -0.366 0.000 0.883 167 L CB 0.276 42.024 42.059 -0.519 0.000 1.501 167 L HN 0.085 nan 8.230 nan 0.000 0.488 168 Y N -1.440 118.866 120.300 0.009 0.000 2.476 168 Y HA 0.339 4.894 4.550 0.007 0.000 0.261 168 Y C 0.760 176.765 175.900 0.175 0.000 1.077 168 Y CA -0.632 57.446 58.100 -0.037 0.000 1.240 168 Y CB 0.517 38.592 38.460 -0.643 0.000 1.317 168 Y HN -0.021 nan 8.280 nan 0.000 0.540 169 M N 2.843 122.628 119.600 0.309 0.000 2.248 169 M HA 0.257 4.742 4.480 0.008 0.000 0.345 169 M C -0.374 176.080 176.300 0.256 0.000 1.243 169 M CA 0.151 55.628 55.300 0.295 0.000 1.090 169 M CB 0.515 33.237 32.600 0.204 0.000 1.683 169 M HN 0.036 nan 8.290 nan 0.000 0.450 170 V N 1.778 121.832 119.914 0.234 0.000 2.864 170 V HA 0.741 4.865 4.120 0.008 0.000 0.314 170 V C 0.067 176.216 176.094 0.093 0.000 1.073 170 V CA -0.727 61.671 62.300 0.163 0.000 0.956 170 V CB 1.263 33.172 31.823 0.143 0.000 1.023 170 V HN 0.931 nan 8.190 nan 0.000 0.435 171 T N -0.899 113.689 114.554 0.057 0.000 2.754 171 T HA 0.208 4.562 4.350 0.008 0.000 0.286 171 T C 0.647 175.329 174.700 -0.030 0.000 0.997 171 T CA 0.333 62.447 62.100 0.023 0.000 0.982 171 T CB 0.608 69.490 68.868 0.023 0.000 1.027 171 T HN 0.728 nan 8.240 nan 0.000 0.529 172 D N 0.016 120.400 120.400 -0.028 0.000 2.144 172 D HA -0.039 4.605 4.640 0.008 0.000 0.199 172 D C 2.115 178.366 176.300 -0.082 0.000 0.984 172 D CA 0.847 54.817 54.000 -0.050 0.000 0.834 172 D CB -0.267 40.522 40.800 -0.019 0.000 0.955 172 D HN 0.443 nan 8.370 nan 0.000 0.465 173 L N 0.757 121.932 121.223 -0.080 0.000 2.046 173 L HA -0.170 4.175 4.340 0.008 0.000 0.208 173 L C 2.312 179.086 176.870 -0.160 0.000 1.077 173 L CA 1.254 56.036 54.840 -0.097 0.000 0.747 173 L CB -0.193 41.822 42.059 -0.075 0.000 0.896 173 L HN -0.019 nan 8.230 nan 0.000 0.432 174 E N -0.322 119.757 120.200 -0.201 0.000 2.152 174 E HA -0.184 4.171 4.350 0.008 0.000 0.192 174 E C 2.326 178.592 176.600 -0.558 0.000 0.983 174 E CA 0.783 56.946 56.400 -0.394 0.000 0.818 174 E CB -0.022 29.583 29.700 -0.158 0.000 0.758 174 E HN 0.436 nan 8.360 nan 0.000 0.467 175 L N -0.012 120.944 121.223 -0.445 0.000 2.046 175 L HA -0.208 4.137 4.340 0.008 0.000 0.208 175 L C 2.428 178.721 176.870 -0.962 0.000 1.077 175 L CA 1.198 55.572 54.840 -0.776 0.000 0.747 175 L CB -0.397 41.288 42.059 -0.624 0.000 0.896 175 L HN 0.225 nan 8.230 nan 0.000 0.432 176 Y N 0.987 120.934 120.300 -0.588 0.000 2.128 176 Y HA -0.291 4.264 4.550 0.008 0.000 0.284 176 Y C 2.672 178.356 175.900 -0.360 0.000 1.154 176 Y CA 1.755 59.641 58.100 -0.357 0.000 1.149 176 Y CB 0.100 38.439 38.460 -0.202 0.000 0.976 176 Y HN 0.153 nan 8.280 nan 0.000 0.505 177 E N 0.013 119.992 120.200 -0.369 0.000 2.072 177 E HA -0.148 4.207 4.350 0.008 0.000 0.190 177 E C 2.413 178.525 176.600 -0.813 0.000 0.982 177 E CA 1.052 57.129 56.400 -0.539 0.000 0.803 177 E CB -0.743 28.474 29.700 -0.805 0.000 0.755 177 E HN 0.558 nan 8.360 nan 0.000 0.453 178 A N 1.004 123.166 122.820 -1.096 0.000 1.933 178 A HA -0.141 4.183 4.320 0.008 0.000 0.218 178 A C 1.960 179.462 177.584 -0.138 0.000 1.175 178 A CA 1.026 52.628 52.037 -0.724 0.000 0.628 178 A CB -0.606 18.077 19.000 -0.528 0.000 0.814 178 A HN 0.102 nan 8.150 nan 0.000 0.444 179 F N 0.707 120.503 119.950 -0.257 0.000 2.146 179 F HA -0.064 4.467 4.527 0.007 0.000 0.298 179 F C 2.787 178.491 175.800 -0.159 0.000 1.096 179 F CA 0.824 58.725 58.000 -0.166 0.000 1.275 179 F CB -1.295 37.601 39.000 -0.173 0.000 1.008 179 F HN 0.145 nan 8.300 nan 0.000 0.480 180 S N -0.176 115.495 115.700 -0.049 0.000 2.383 180 S HA -0.234 4.240 4.470 0.008 0.000 0.229 180 S C 2.147 176.759 174.600 0.021 0.000 1.030 180 S CA 1.470 59.631 58.200 -0.066 0.000 1.002 180 S CB -0.242 62.879 63.200 -0.132 0.000 0.829 180 S HN 0.174 nan 8.310 nan 0.000 0.467 181 R N 1.032 121.558 120.500 0.043 0.000 2.073 181 R HA 0.083 4.428 4.340 0.008 0.000 0.229 181 R C 2.291 178.607 176.300 0.027 0.000 1.120 181 R CA 1.352 57.498 56.100 0.076 0.000 0.967 181 R CB -1.301 29.116 30.300 0.196 0.000 0.862 181 R HN 0.406 nan 8.270 nan 0.000 0.436 182 C N 0.773 120.099 119.300 0.043 0.000 2.403 182 C HA -0.096 4.369 4.460 0.008 0.000 0.277 182 C C 2.541 177.588 174.990 0.095 0.000 1.248 182 C CA 1.066 60.137 59.018 0.088 0.000 1.762 182 C CB -0.697 27.141 27.740 0.164 0.000 2.014 182 C HN 0.524 nan 8.230 nan 0.000 0.486 183 K N 0.700 121.167 120.400 0.111 0.000 2.025 183 K HA -0.145 4.179 4.320 0.008 0.000 0.207 183 K C 1.936 178.600 176.600 0.106 0.000 1.049 183 K CA 1.424 57.817 56.287 0.176 0.000 0.933 183 K CB -0.210 32.373 32.500 0.140 0.000 0.714 183 K HN 0.558 nan 8.250 nan 0.000 0.438 184 E N 0.498 120.743 120.200 0.076 0.000 2.153 184 E HA -0.163 4.192 4.350 0.008 0.000 0.194 184 E C 1.803 178.441 176.600 0.063 0.000 0.988 184 E CA 1.360 57.815 56.400 0.091 0.000 0.811 184 E CB -0.076 29.667 29.700 0.071 0.000 0.746 184 E HN 0.537 nan 8.360 nan 0.000 0.466 185 I N -4.306 116.225 120.570 -0.065 0.000 3.956 185 I HA 0.382 4.557 4.170 0.008 0.000 0.333 185 I C 1.011 176.812 176.117 -0.527 0.000 1.302 185 I CA 0.341 61.562 61.300 -0.132 0.000 1.122 185 I CB 0.497 38.466 38.000 -0.052 0.000 1.013 185 I HN 0.064 nan 8.210 nan 0.000 0.405 186 G N 1.969 110.154 108.800 -1.026 0.000 2.171 186 G HA2 -0.114 3.851 3.960 0.008 0.000 0.238 186 G HA3 -0.114 3.851 3.960 0.008 0.000 0.238 186 G C 0.118 174.506 174.900 -0.853 0.000 1.039 186 G CA 0.057 43.924 45.100 -2.055 0.000 0.759 186 G HN 0.934 nan 8.290 nan 0.000 0.501 187 A N -0.643 122.039 122.820 -0.230 0.000 2.320 187 A HA 0.862 5.186 4.320 0.008 0.000 0.334 187 A C 0.280 178.012 177.584 0.247 0.000 1.147 187 A CA -0.511 51.577 52.037 0.084 0.000 0.820 187 A CB 1.276 20.457 19.000 0.302 0.000 1.218 187 A HN 1.247 nan 8.150 nan 0.000 0.482 188 I N 1.174 121.863 120.570 0.198 0.000 2.581 188 I HA 0.506 4.681 4.170 0.008 0.000 0.288 188 I C 0.561 176.763 176.117 0.141 0.000 1.047 188 I CA -0.265 61.111 61.300 0.127 0.000 1.374 188 I CB 1.260 39.283 38.000 0.039 0.000 1.423 188 I HN 0.697 nan 8.210 nan 0.000 0.549 189 A N 7.233 130.089 122.820 0.060 0.000 2.274 189 A HA 0.470 4.794 4.320 0.008 0.000 0.309 189 A C -0.621 177.012 177.584 0.083 0.000 1.226 189 A CA -0.447 51.633 52.037 0.072 0.000 0.853 189 A CB 0.506 19.411 19.000 -0.158 0.000 1.146 189 A HN 0.790 nan 8.150 nan 0.000 0.518 190 Q N 0.923 120.811 119.800 0.148 0.000 2.256 190 Q HA 0.615 4.960 4.340 0.008 0.000 0.257 190 Q C -1.028 175.053 176.000 0.136 0.000 0.936 190 Q CA -0.637 55.262 55.803 0.160 0.000 0.903 190 Q CB 2.361 31.152 28.738 0.088 0.000 1.263 190 Q HN 0.533 nan 8.270 nan 0.000 0.440 191 V N 0.785 120.771 119.914 0.121 0.000 2.709 191 V HA 0.212 4.337 4.120 0.008 0.000 0.308 191 V C -0.999 175.137 176.094 0.069 0.000 1.062 191 V CA -0.946 61.421 62.300 0.113 0.000 0.901 191 V CB 1.681 33.633 31.823 0.215 0.000 1.003 191 V HN 0.801 nan 8.190 nan 0.000 0.425 192 H N 3.315 122.344 119.070 -0.069 0.000 2.911 192 H HA 0.633 5.194 4.556 0.008 0.000 0.273 192 H C 0.302 175.736 175.328 0.176 0.000 1.157 192 H CA -0.136 55.960 56.048 0.079 0.000 1.402 192 H CB 0.838 30.660 29.762 0.099 0.000 1.463 192 H HN 0.934 nan 8.280 nan 0.000 0.475 193 A N 5.723 128.658 122.820 0.192 0.000 2.650 193 A HA 0.289 4.614 4.320 0.008 0.000 0.320 193 A C -0.385 177.322 177.584 0.205 0.000 1.466 193 A CA -0.351 51.804 52.037 0.196 0.000 1.099 193 A CB -0.037 19.032 19.000 0.115 0.000 1.136 193 A HN 0.898 nan 8.150 nan 0.000 0.532 194 E N 1.426 121.804 120.200 0.298 0.000 2.335 194 E HA 0.094 4.448 4.350 0.008 0.000 0.280 194 E C -1.228 175.471 176.600 0.164 0.000 0.918 194 E CA -0.839 55.689 56.400 0.212 0.000 0.765 194 E CB 1.474 31.332 29.700 0.263 0.000 1.218 194 E HN 0.625 nan 8.360 nan 0.000 0.425 195 N N 1.861 120.622 118.700 0.101 0.000 2.400 195 N HA 0.004 4.748 4.740 0.008 0.000 0.267 195 N C 0.809 176.354 175.510 0.059 0.000 1.208 195 N CA 0.339 53.436 53.050 0.078 0.000 0.951 195 N CB 1.009 39.529 38.487 0.055 0.000 1.227 195 N HN 0.775 nan 8.380 nan 0.000 0.488 196 G N 2.900 111.743 108.800 0.071 0.000 2.448 196 G HA2 -0.216 3.749 3.960 0.008 0.000 0.219 196 G HA3 -0.216 3.749 3.960 0.008 0.000 0.219 196 G C 1.041 175.961 174.900 0.033 0.000 1.127 196 G CA 0.393 45.522 45.100 0.047 0.000 0.766 196 G HN 0.583 nan 8.290 nan 0.000 0.552 197 D N 0.381 120.804 120.400 0.038 0.000 2.149 197 D HA -0.008 4.636 4.640 0.008 0.000 0.201 197 D C 2.598 178.909 176.300 0.019 0.000 0.972 197 D CA 0.401 54.418 54.000 0.028 0.000 0.835 197 D CB 0.053 40.871 40.800 0.030 0.000 0.966 197 D HN 0.299 nan 8.370 nan 0.000 0.476 198 L N 1.192 122.427 121.223 0.020 0.000 2.109 198 L HA -0.039 4.305 4.340 0.008 0.000 0.207 198 L C 2.651 179.525 176.870 0.006 0.000 1.086 198 L CA 0.513 55.361 54.840 0.013 0.000 0.760 198 L CB -0.393 41.674 42.059 0.014 0.000 0.910 198 L HN 0.061 nan 8.230 nan 0.000 0.437 199 I N -2.563 118.006 120.570 -0.001 0.000 2.394 199 I HA -0.144 4.031 4.170 0.008 0.000 0.251 199 I C 2.526 178.645 176.117 0.003 0.000 1.136 199 I CA 1.339 62.630 61.300 -0.014 0.000 1.425 199 I CB -0.505 37.466 38.000 -0.047 0.000 1.079 199 I HN 0.055 nan 8.210 nan 0.000 0.425 200 A N 1.368 124.189 122.820 0.002 0.000 1.874 200 A HA -0.074 4.250 4.320 0.008 0.000 0.214 200 A C 2.262 179.850 177.584 0.006 0.000 1.189 200 A CA 1.215 53.252 52.037 0.000 0.000 0.615 200 A CB -0.473 18.526 19.000 -0.002 0.000 0.830 200 A HN 0.442 nan 8.150 nan 0.000 0.443 201 E N -0.107 120.099 120.200 0.010 0.000 2.106 201 E HA -0.104 4.251 4.350 0.008 0.000 0.192 201 E C 2.122 178.734 176.600 0.021 0.000 0.984 201 E CA 1.095 57.502 56.400 0.012 0.000 0.806 201 E CB -0.728 28.978 29.700 0.010 0.000 0.750 201 E HN 0.562 nan 8.360 nan 0.000 0.458 202 G N 1.267 110.082 108.800 0.025 0.000 2.418 202 G HA2 -0.196 3.769 3.960 0.008 0.000 0.217 202 G HA3 -0.196 3.769 3.960 0.008 0.000 0.217 202 G C 1.741 176.691 174.900 0.084 0.000 1.158 202 G CA 1.117 46.238 45.100 0.035 0.000 0.771 202 G HN 0.384 nan 8.290 nan 0.000 0.545 203 A N 0.756 123.645 122.820 0.115 0.000 1.969 203 A HA 0.045 4.369 4.320 0.008 0.000 0.218 203 A C 2.297 179.939 177.584 0.096 0.000 1.169 203 A CA 1.805 53.972 52.037 0.216 0.000 0.635 203 A CB -0.279 18.790 19.000 0.115 0.000 0.810 203 A HN 0.372 nan 8.150 nan 0.000 0.445 204 K N -0.135 120.284 120.400 0.033 0.000 2.026 204 K HA -0.137 4.188 4.320 0.008 0.000 0.208 204 K C 1.964 178.584 176.600 0.032 0.000 1.048 204 K CA 1.366 57.658 56.287 0.008 0.000 0.929 204 K CB -0.177 32.322 32.500 -0.002 0.000 0.713 204 K HN 0.224 nan 8.250 nan 0.000 0.439 205 K N 0.462 120.888 120.400 0.044 0.000 2.063 205 K HA -0.088 4.237 4.320 0.008 0.000 0.208 205 K C 2.117 178.754 176.600 0.061 0.000 1.048 205 K CA 1.261 57.574 56.287 0.042 0.000 0.928 205 K CB -0.186 32.334 32.500 0.034 0.000 0.713 205 K HN 0.185 nan 8.250 nan 0.000 0.442 206 M N 0.579 120.242 119.600 0.104 0.000 2.099 206 M HA -0.082 4.402 4.480 0.008 0.000 0.262 206 M C 2.398 178.789 176.300 0.151 0.000 1.067 206 M CA 1.378 56.759 55.300 0.134 0.000 1.124 206 M CB -0.989 31.729 32.600 0.196 0.000 1.353 206 M HN 0.056 nan 8.290 nan 0.000 0.410 207 L N -0.301 121.014 121.223 0.153 0.000 2.093 207 L HA -0.111 4.233 4.340 0.008 0.000 0.208 207 L C 2.653 179.546 176.870 0.038 0.000 1.085 207 L CA 0.942 55.828 54.840 0.077 0.000 0.755 207 L CB -0.916 41.135 42.059 -0.014 0.000 0.904 207 L HN 0.251 nan 8.230 nan 0.000 0.435 208 A N -0.249 122.589 122.820 0.031 0.000 2.067 208 A HA -0.073 4.252 4.320 0.008 0.000 0.219 208 A C 2.147 179.745 177.584 0.023 0.000 1.158 208 A CA 1.140 53.188 52.037 0.018 0.000 0.661 208 A CB -0.431 18.577 19.000 0.014 0.000 0.801 208 A HN 0.395 nan 8.150 nan 0.000 0.452 209 L N -1.698 119.546 121.223 0.035 0.000 2.558 209 L HA 0.215 4.560 4.340 0.008 0.000 0.225 209 L C 1.663 178.554 176.870 0.034 0.000 1.128 209 L CA 0.659 55.519 54.840 0.032 0.000 0.868 209 L CB 0.151 42.231 42.059 0.034 0.000 1.006 209 L HN 0.555 nan 8.230 nan 0.000 0.454 210 G N 0.607 109.431 108.800 0.041 0.000 2.157 210 G HA2 -0.268 3.697 3.960 0.008 0.000 0.239 210 G HA3 -0.268 3.697 3.960 0.008 0.000 0.239 210 G C 0.086 175.019 174.900 0.055 0.000 0.982 210 G CA -0.297 44.827 45.100 0.040 0.000 0.650 210 G HN 0.197 nan 8.290 nan 0.000 0.527 211 I N 2.621 123.235 120.570 0.072 0.000 2.311 211 I HA 0.345 4.520 4.170 0.008 0.000 0.297 211 I C 1.688 177.909 176.117 0.175 0.000 1.131 211 I CA 0.864 62.208 61.300 0.073 0.000 1.289 211 I CB 1.109 39.117 38.000 0.013 0.000 1.446 211 I HN 0.261 nan 8.210 nan 0.000 0.524 212 T N 0.613 115.266 114.554 0.164 0.000 3.022 212 T HA 0.264 4.618 4.350 0.008 0.000 0.250 212 T C 0.983 175.867 174.700 0.307 0.000 1.060 212 T CA -0.001 62.242 62.100 0.238 0.000 1.013 212 T CB 0.019 68.954 68.868 0.111 0.000 0.982 212 T HN 0.492 nan 8.240 nan 0.000 0.508 213 G N 2.065 110.988 108.800 0.206 0.000 2.616 213 G HA2 0.448 4.413 3.960 0.008 0.000 0.268 213 G HA3 0.448 4.413 3.960 0.008 0.000 0.268 213 G C -1.686 173.232 174.900 0.031 0.000 1.213 213 G CA -1.442 43.782 45.100 0.208 0.000 0.926 213 G HN 0.026 nan 8.290 nan 0.000 0.523 214 P HA -0.068 nan 4.420 nan 0.000 0.225 214 P C 1.725 178.734 177.300 -0.484 0.000 1.148 214 P CA 1.092 64.050 63.100 -0.236 0.000 0.779 214 P CB 0.214 31.776 31.700 -0.230 0.000 0.780 215 E N -0.139 119.717 120.200 -0.573 0.000 2.204 215 E HA -0.107 4.248 4.350 0.008 0.000 0.194 215 E C 2.045 178.163 176.600 -0.805 0.000 0.989 215 E CA 1.723 57.539 56.400 -0.974 0.000 0.824 215 E CB -1.581 27.324 29.700 -1.326 0.000 0.756 215 E HN 0.207 nan 8.360 nan 0.000 0.477 216 G N 0.469 108.838 108.800 -0.718 0.000 2.471 216 G HA2 -0.295 3.669 3.960 0.008 0.000 0.219 216 G HA3 -0.295 3.669 3.960 0.008 0.000 0.219 216 G C 1.435 175.528 174.900 -1.344 0.000 1.125 216 G CA 0.872 45.439 45.100 -0.889 0.000 0.775 216 G HN 0.477 nan 8.290 nan 0.000 0.548 217 H N 0.899 119.112 119.070 -1.429 0.000 2.321 217 H HA -0.102 4.458 4.556 0.007 0.000 0.300 217 H C 2.409 177.376 175.328 -0.602 0.000 1.087 217 H CA 2.123 57.608 56.048 -0.937 0.000 1.319 217 H CB 0.035 29.456 29.762 -0.568 0.000 1.379 217 H HN 0.416 nan 8.280 nan 0.000 0.501 218 E N 0.396 120.188 120.200 -0.680 0.000 2.072 218 E HA -0.079 4.276 4.350 0.008 0.000 0.190 218 E C 2.206 178.655 176.600 -0.251 0.000 0.982 218 E CA 1.196 57.333 56.400 -0.438 0.000 0.803 218 E CB -0.619 28.884 29.700 -0.329 0.000 0.755 218 E HN 0.608 nan 8.360 nan 0.000 0.453 219 L N 0.625 121.690 121.223 -0.264 0.000 2.191 219 L HA -0.147 4.197 4.340 0.008 0.000 0.212 219 L C 2.561 179.354 176.870 -0.129 0.000 1.103 219 L CA 1.274 56.041 54.840 -0.122 0.000 0.769 219 L CB -0.488 41.508 42.059 -0.106 0.000 0.908 219 L HN 0.517 nan 8.230 nan 0.000 0.438 220 C N -1.380 117.794 119.300 -0.211 0.000 2.562 220 C HA 0.132 4.597 4.460 0.008 0.000 0.266 220 C C 1.446 176.373 174.990 -0.105 0.000 1.382 220 C CA -0.579 58.368 59.018 -0.117 0.000 1.742 220 C CB -1.090 26.616 27.740 -0.057 0.000 1.812 220 C HN 0.345 nan 8.230 nan 0.000 0.559 221 R N 1.174 121.584 120.500 -0.151 0.000 2.782 221 R HA 0.342 4.687 4.340 0.008 0.000 0.293 221 R C -2.741 173.518 176.300 -0.069 0.000 1.333 221 R CA -1.300 54.731 56.100 -0.114 0.000 1.479 221 R CB 0.290 30.483 30.300 -0.179 0.000 1.306 221 R HN 0.392 nan 8.270 nan 0.000 0.654 222 P HA -0.094 nan 4.420 nan 0.000 0.269 222 P C 0.320 177.619 177.300 -0.001 0.000 1.217 222 P CA 0.096 63.191 63.100 -0.009 0.000 0.783 222 P CB 0.752 32.450 31.700 -0.002 0.000 0.898 223 E N 0.894 121.099 120.200 0.009 0.000 2.331 223 E HA -0.186 4.169 4.350 0.008 0.000 0.199 223 E C 1.644 178.250 176.600 0.010 0.000 1.008 223 E CA 1.148 57.556 56.400 0.013 0.000 0.843 223 E CB -0.669 29.038 29.700 0.013 0.000 0.761 223 E HN 0.408 nan 8.360 nan 0.000 0.507 224 A N 1.581 124.404 122.820 0.005 0.000 1.940 224 A HA -0.122 4.203 4.320 0.008 0.000 0.219 224 A C 2.481 180.074 177.584 0.016 0.000 1.176 224 A CA 1.446 53.487 52.037 0.007 0.000 0.631 224 A CB -0.707 18.295 19.000 0.003 0.000 0.814 224 A HN 0.210 nan 8.150 nan 0.000 0.446 225 V N -0.092 119.832 119.914 0.015 0.000 2.295 225 V HA -0.265 3.859 4.120 0.008 0.000 0.246 225 V C 2.532 178.650 176.094 0.040 0.000 1.049 225 V CA 2.303 64.617 62.300 0.024 0.000 1.024 225 V CB -0.654 31.177 31.823 0.013 0.000 0.648 225 V HN 0.775 nan 8.190 nan 0.000 0.447 226 E N 0.179 120.402 120.200 0.038 0.000 2.051 226 E HA -0.231 4.124 4.350 0.008 0.000 0.192 226 E C 2.239 178.869 176.600 0.050 0.000 0.991 226 E CA 1.442 57.872 56.400 0.050 0.000 0.799 226 E CB -0.211 29.514 29.700 0.040 0.000 0.748 226 E HN 0.555 nan 8.360 nan 0.000 0.449 227 A N 1.445 124.287 122.820 0.037 0.000 1.898 227 A HA -0.205 4.120 4.320 0.008 0.000 0.216 227 A C 2.129 179.735 177.584 0.036 0.000 1.181 227 A CA 1.517 53.574 52.037 0.033 0.000 0.620 227 A CB -0.558 18.454 19.000 0.021 0.000 0.819 227 A HN 0.332 nan 8.150 nan 0.000 0.442 228 E N 0.666 120.887 120.200 0.037 0.000 2.038 228 E HA -0.195 4.160 4.350 0.008 0.000 0.195 228 E C 2.181 178.813 176.600 0.054 0.000 1.000 228 E CA 1.599 58.022 56.400 0.039 0.000 0.803 228 E CB -0.413 29.308 29.700 0.036 0.000 0.750 228 E HN 0.449 nan 8.360 nan 0.000 0.448 229 A N 0.225 123.086 122.820 0.068 0.000 1.930 229 A HA -0.126 4.199 4.320 0.008 0.000 0.217 229 A C 2.463 180.103 177.584 0.093 0.000 1.175 229 A CA 2.050 54.142 52.037 0.091 0.000 0.627 229 A CB -0.913 18.158 19.000 0.119 0.000 0.815 229 A HN 0.371 nan 8.150 nan 0.000 0.443 230 T N 0.253 114.852 114.554 0.076 0.000 2.684 230 T HA -0.177 4.178 4.350 0.008 0.000 0.267 230 T C 1.830 176.561 174.700 0.051 0.000 1.036 230 T CA 1.671 63.808 62.100 0.061 0.000 1.148 230 T CB -0.404 68.489 68.868 0.043 0.000 0.863 230 T HN 0.331 nan 8.240 nan 0.000 0.436 231 L N 1.162 122.412 121.223 0.044 0.000 2.083 231 L HA 0.071 4.416 4.340 0.008 0.000 0.209 231 L C 2.460 179.361 176.870 0.052 0.000 1.083 231 L CA 1.697 56.559 54.840 0.036 0.000 0.752 231 L CB -0.602 41.475 42.059 0.029 0.000 0.899 231 L HN 0.074 nan 8.230 nan 0.000 0.433 232 R N -0.461 120.079 120.500 0.068 0.000 2.070 232 R HA -0.138 4.207 4.340 0.008 0.000 0.233 232 R C 2.256 178.632 176.300 0.126 0.000 1.137 232 R CA 1.588 57.739 56.100 0.085 0.000 0.945 232 R CB -0.559 29.789 30.300 0.081 0.000 0.845 232 R HN 0.467 nan 8.270 nan 0.000 0.430 233 A N 1.076 123.987 122.820 0.152 0.000 1.873 233 A HA -0.222 4.102 4.320 0.008 0.000 0.218 233 A C 2.230 179.915 177.584 0.168 0.000 1.193 233 A CA 1.991 54.170 52.037 0.236 0.000 0.629 233 A CB -0.798 18.323 19.000 0.202 0.000 0.826 233 A HN 0.429 nan 8.150 nan 0.000 0.447 234 I N -0.426 120.184 120.570 0.067 0.000 2.208 234 I HA -0.269 3.906 4.170 0.008 0.000 0.245 234 I C 2.616 178.751 176.117 0.029 0.000 1.097 234 I CA 1.902 63.206 61.300 0.006 0.000 1.363 234 I CB -0.615 37.375 38.000 -0.016 0.000 1.051 234 I HN 0.316 nan 8.210 nan 0.000 0.413 235 T N 1.154 115.745 114.554 0.062 0.000 2.777 235 T HA -0.083 4.271 4.350 0.008 0.000 0.266 235 T C 1.954 176.723 174.700 0.114 0.000 1.040 235 T CA 1.109 63.251 62.100 0.069 0.000 1.141 235 T CB -0.113 68.794 68.868 0.064 0.000 0.868 235 T HN 0.149 nan 8.240 nan 0.000 0.444 236 I N 1.861 122.541 120.570 0.182 0.000 2.179 236 I HA -0.098 4.077 4.170 0.008 0.000 0.242 236 I C 2.976 179.265 176.117 0.286 0.000 1.088 236 I CA 1.262 62.721 61.300 0.266 0.000 1.357 236 I CB -1.654 36.527 38.000 0.301 0.000 1.051 236 I HN 0.194 nan 8.210 nan 0.000 0.409 237 A N 0.437 123.399 122.820 0.236 0.000 1.902 237 A HA -0.212 4.113 4.320 0.008 0.000 0.217 237 A C 2.625 180.184 177.584 -0.042 0.000 1.181 237 A CA 2.162 54.182 52.037 -0.027 0.000 0.623 237 A CB -0.822 17.970 19.000 -0.348 0.000 0.818 237 A HN 0.440 nan 8.150 nan 0.000 0.443 238 S N -0.289 115.400 115.700 -0.018 0.000 2.402 238 S HA 0.013 4.488 4.470 0.008 0.000 0.229 238 S C 2.052 176.655 174.600 0.005 0.000 1.021 238 S CA 1.436 59.621 58.200 -0.025 0.000 0.974 238 S CB -0.418 62.770 63.200 -0.021 0.000 0.800 238 S HN 0.809 nan 8.310 nan 0.000 0.484 239 A N 0.261 123.110 122.820 0.049 0.000 2.066 239 A HA 0.162 4.487 4.320 0.008 0.000 0.218 239 A C 2.038 179.652 177.584 0.050 0.000 1.157 239 A CA 1.286 53.371 52.037 0.080 0.000 0.670 239 A CB -0.337 18.758 19.000 0.160 0.000 0.804 239 A HN 0.488 nan 8.150 nan 0.000 0.453 240 V N -0.521 119.381 119.914 -0.019 0.000 3.565 240 V HA 0.040 4.165 4.120 0.008 0.000 0.260 240 V C 0.789 176.852 176.094 -0.052 0.000 1.231 240 V CA 0.772 63.009 62.300 -0.104 0.000 1.100 240 V CB -0.884 30.793 31.823 -0.243 0.000 0.807 240 V HN 0.762 nan 8.190 nan 0.000 0.454 241 N N -0.076 118.598 118.700 -0.044 0.000 2.771 241 N HA -0.202 4.543 4.740 0.008 0.000 0.249 241 N C -0.776 174.689 175.510 -0.075 0.000 1.069 241 N CA 0.815 53.834 53.050 -0.052 0.000 0.688 241 N CB -1.606 36.870 38.487 -0.019 0.000 0.928 241 N HN 0.547 nan 8.380 nan 0.000 0.551 242 C N 1.909 121.137 119.300 -0.121 0.000 2.379 242 C HA 0.710 5.175 4.460 0.008 0.000 0.323 242 C C -2.204 172.629 174.990 -0.261 0.000 1.262 242 C CA -1.690 57.230 59.018 -0.165 0.000 1.581 242 C CB 0.844 28.502 27.740 -0.137 0.000 2.221 242 C HN 0.456 nan 8.230 nan 0.000 0.497 243 P HA 0.254 nan 4.420 nan 0.000 0.271 243 P C -1.008 176.175 177.300 -0.195 0.000 1.216 243 P CA -0.015 62.928 63.100 -0.262 0.000 0.771 243 P CB 0.819 32.302 31.700 -0.361 0.000 0.864 244 L N 4.653 125.794 121.223 -0.137 0.000 2.342 244 L HA 0.559 4.903 4.340 0.008 0.000 0.271 244 L C -1.214 175.708 176.870 0.087 0.000 1.008 244 L CA -0.986 53.777 54.840 -0.128 0.000 0.818 244 L CB 1.586 43.510 42.059 -0.225 0.000 1.296 244 L HN 0.292 nan 8.230 nan 0.000 0.427 245 Y N 4.954 125.233 120.300 -0.036 0.000 2.346 245 Y HA 0.600 5.155 4.550 0.008 0.000 0.332 245 Y C -1.075 174.837 175.900 0.019 0.000 0.985 245 Y CA -0.934 57.188 58.100 0.037 0.000 1.112 245 Y CB 1.278 39.765 38.460 0.045 0.000 1.170 245 Y HN 0.354 nan 8.280 nan 0.000 0.447 246 I N 8.336 128.793 120.570 -0.189 0.000 2.328 246 I HA 0.238 4.412 4.170 0.008 0.000 0.287 246 I C 0.054 176.085 176.117 -0.143 0.000 1.012 246 I CA -0.733 60.508 61.300 -0.098 0.000 1.195 246 I CB 0.706 38.658 38.000 -0.079 0.000 1.350 246 I HN 0.458 nan 8.210 nan 0.000 0.464 247 V N 4.206 124.100 119.914 -0.033 0.000 3.003 247 V HA 0.283 4.408 4.120 0.008 0.000 0.305 247 V C 0.385 176.365 176.094 -0.190 0.000 1.078 247 V CA -0.546 61.721 62.300 -0.057 0.000 1.083 247 V CB 0.177 31.952 31.823 -0.079 0.000 1.039 247 V HN 0.988 nan 8.190 nan 0.000 0.481 248 H N 0.293 119.418 119.070 0.091 0.000 1.968 248 H HA -0.119 4.442 4.556 0.008 0.000 0.317 248 H C -0.372 174.951 175.328 -0.007 0.000 0.854 248 H CA 0.276 56.319 56.048 -0.008 0.000 1.048 248 H CB -2.633 27.069 29.762 -0.100 0.000 1.569 248 H HN 0.672 nan 8.280 nan 0.000 0.301 249 V N 3.772 123.774 119.914 0.147 0.000 2.521 249 V HA -0.014 4.111 4.120 0.008 0.000 0.286 249 V C 1.412 177.574 176.094 0.114 0.000 1.034 249 V CA 0.155 62.518 62.300 0.106 0.000 1.045 249 V CB 0.845 32.705 31.823 0.061 0.000 0.974 249 V HN 0.729 nan 8.190 nan 0.000 0.480 250 M N 2.664 122.325 119.600 0.100 0.000 2.538 250 M HA 0.173 4.658 4.480 0.008 0.000 0.259 250 M C 0.803 177.166 176.300 0.105 0.000 1.217 250 M CA 0.418 55.780 55.300 0.104 0.000 1.131 250 M CB 0.333 32.984 32.600 0.086 0.000 1.382 250 M HN 0.747 nan 8.290 nan 0.000 0.520 251 S N -0.062 115.692 115.700 0.090 0.000 2.607 251 S HA 0.485 4.959 4.470 0.008 0.000 0.303 251 S C 0.744 175.391 174.600 0.079 0.000 1.086 251 S CA -0.774 57.469 58.200 0.071 0.000 0.995 251 S CB 2.582 65.809 63.200 0.044 0.000 1.084 251 S HN 0.142 nan 8.310 nan 0.000 0.507 252 K N 1.081 121.489 120.400 0.013 0.000 2.057 252 K HA -0.044 4.280 4.320 0.008 0.000 0.206 252 K C 2.204 178.779 176.600 -0.041 0.000 1.050 252 K CA 1.503 57.741 56.287 -0.080 0.000 0.935 252 K CB -0.525 31.684 32.500 -0.484 0.000 0.715 252 K HN 0.577 nan 8.250 nan 0.000 0.439 253 S N 1.389 117.059 115.700 -0.050 0.000 2.356 253 S HA -0.156 4.319 4.470 0.008 0.000 0.223 253 S C 2.255 176.872 174.600 0.028 0.000 1.032 253 S CA 1.352 59.541 58.200 -0.019 0.000 1.005 253 S CB -0.284 62.903 63.200 -0.021 0.000 0.867 253 S HN 0.447 nan 8.310 nan 0.000 0.449 254 A N 1.518 124.362 122.820 0.041 0.000 1.933 254 A HA 0.145 4.470 4.320 0.008 0.000 0.218 254 A C 2.346 179.966 177.584 0.061 0.000 1.175 254 A CA 1.665 53.731 52.037 0.048 0.000 0.628 254 A CB -1.034 17.996 19.000 0.050 0.000 0.814 254 A HN 0.515 nan 8.150 nan 0.000 0.444 255 A N -0.633 122.247 122.820 0.100 0.000 1.930 255 A HA -0.119 4.206 4.320 0.008 0.000 0.217 255 A C 2.149 179.815 177.584 0.137 0.000 1.175 255 A CA 1.746 53.859 52.037 0.126 0.000 0.627 255 A CB -0.370 18.755 19.000 0.209 0.000 0.815 255 A HN 0.331 nan 8.150 nan 0.000 0.443 256 K N -0.009 120.498 120.400 0.178 0.000 2.147 256 K HA -0.070 4.255 4.320 0.008 0.000 0.205 256 K C 1.931 178.574 176.600 0.071 0.000 1.049 256 K CA 1.401 57.783 56.287 0.158 0.000 0.936 256 K CB -0.400 32.176 32.500 0.127 0.000 0.722 256 K HN 0.326 nan 8.250 nan 0.000 0.446 257 V N 1.430 121.372 119.914 0.047 0.000 2.307 257 V HA -0.231 3.894 4.120 0.008 0.000 0.245 257 V C 2.347 178.441 176.094 -0.001 0.000 1.045 257 V CA 1.469 63.780 62.300 0.020 0.000 1.024 257 V CB -0.286 31.548 31.823 0.019 0.000 0.651 257 V HN 0.215 nan 8.190 nan 0.000 0.449 258 I N 0.560 121.127 120.570 -0.005 0.000 2.208 258 I HA -0.255 3.920 4.170 0.008 0.000 0.245 258 I C 2.684 178.768 176.117 -0.054 0.000 1.097 258 I CA 1.542 62.817 61.300 -0.042 0.000 1.363 258 I CB -0.662 37.309 38.000 -0.047 0.000 1.051 258 I HN 0.283 nan 8.210 nan 0.000 0.413 259 A N 0.713 123.518 122.820 -0.025 0.000 1.883 259 A HA -0.252 4.072 4.320 0.008 0.000 0.217 259 A C 1.973 179.534 177.584 -0.037 0.000 1.186 259 A CA 2.254 54.271 52.037 -0.033 0.000 0.624 259 A CB -0.646 18.349 19.000 -0.008 0.000 0.822 259 A HN 0.372 nan 8.150 nan 0.000 0.444 260 D N -0.086 120.303 120.400 -0.018 0.000 2.178 260 D HA 0.023 4.668 4.640 0.008 0.000 0.202 260 D C 2.195 178.471 176.300 -0.039 0.000 0.974 260 D CA 1.296 55.284 54.000 -0.021 0.000 0.841 260 D CB -0.432 40.366 40.800 -0.004 0.000 0.953 260 D HN 0.437 nan 8.370 nan 0.000 0.478 261 A N 1.277 124.067 122.820 -0.050 0.000 1.877 261 A HA -0.188 4.136 4.320 0.008 0.000 0.216 261 A C 2.200 179.725 177.584 -0.099 0.000 1.186 261 A CA 1.270 53.266 52.037 -0.069 0.000 0.620 261 A CB -0.471 18.483 19.000 -0.076 0.000 0.822 261 A HN 0.104 nan 8.150 nan 0.000 0.443 262 R N -1.190 119.236 120.500 -0.123 0.000 2.096 262 R HA -0.088 4.256 4.340 0.008 0.000 0.235 262 R C 2.454 178.687 176.300 -0.112 0.000 1.127 262 R CA 1.508 57.516 56.100 -0.154 0.000 0.968 262 R CB -0.248 29.945 30.300 -0.178 0.000 0.861 262 R HN 0.510 nan 8.270 nan 0.000 0.440 263 R N 0.682 121.133 120.500 -0.081 0.000 2.096 263 R HA -0.110 4.234 4.340 0.008 0.000 0.235 263 R C 0.957 177.223 176.300 -0.056 0.000 1.127 263 R CA 1.581 57.644 56.100 -0.060 0.000 0.968 263 R CB 0.094 30.368 30.300 -0.043 0.000 0.861 263 R HN 0.150 nan 8.270 nan 0.000 0.440 264 D N -1.411 118.954 120.400 -0.058 0.000 2.349 264 D HA 0.082 4.726 4.640 0.008 0.000 0.224 264 D C 0.803 177.066 176.300 -0.062 0.000 1.029 264 D CA 1.096 55.066 54.000 -0.051 0.000 0.879 264 D CB 0.764 41.538 40.800 -0.042 0.000 0.906 264 D HN 0.509 nan 8.370 nan 0.000 0.528 265 G N 1.033 109.783 108.800 -0.083 0.000 2.141 265 G HA2 -0.278 3.687 3.960 0.008 0.000 0.231 265 G HA3 -0.278 3.687 3.960 0.008 0.000 0.231 265 G C 0.259 175.089 174.900 -0.116 0.000 0.984 265 G CA -0.299 44.744 45.100 -0.095 0.000 0.660 265 G HN 0.196 nan 8.290 nan 0.000 0.525 266 K N 0.333 120.658 120.400 -0.126 0.000 2.350 266 K HA 0.492 4.817 4.320 0.008 0.000 0.279 266 K C 0.759 177.226 176.600 -0.220 0.000 1.027 266 K CA -0.148 56.051 56.287 -0.146 0.000 0.969 266 K CB 1.380 33.805 32.500 -0.126 0.000 0.954 266 K HN 0.090 nan 8.250 nan 0.000 0.474 267 V N 4.780 124.558 119.914 -0.227 0.000 2.326 267 V HA 0.164 4.288 4.120 0.008 0.000 0.249 267 V C -0.430 175.461 176.094 -0.338 0.000 1.114 267 V CA -0.301 61.816 62.300 -0.303 0.000 1.028 267 V CB -0.007 31.684 31.823 -0.220 0.000 1.170 267 V HN 0.447 nan 8.190 nan 0.000 0.494 268 V N 6.404 126.006 119.914 -0.519 0.000 2.888 268 V HA 0.668 4.793 4.120 0.008 0.000 0.309 268 V C -1.785 173.925 176.094 -0.640 0.000 1.114 268 V CA -0.514 61.543 62.300 -0.404 0.000 0.940 268 V CB 2.545 34.223 31.823 -0.242 0.000 1.021 268 V HN 0.659 nan 8.190 nan 0.000 0.426 269 Y N 3.435 123.650 120.300 -0.141 0.000 2.462 269 Y HA 0.803 5.358 4.550 0.007 0.000 0.346 269 Y C 0.648 176.338 175.900 -0.351 0.000 0.976 269 Y CA -0.342 57.646 58.100 -0.187 0.000 1.044 269 Y CB 2.601 40.997 38.460 -0.106 0.000 1.230 269 Y HN 0.809 nan 8.280 nan 0.000 0.455 270 G N 1.294 110.004 108.800 -0.150 0.000 2.415 270 G HA2 0.465 4.430 3.960 0.008 0.000 0.327 270 G HA3 0.465 4.430 3.960 0.008 0.000 0.327 270 G C -1.335 173.432 174.900 -0.221 0.000 1.182 270 G CA -0.653 44.324 45.100 -0.205 0.000 0.924 270 G HN 0.592 nan 8.290 nan 0.000 0.470 271 E N 3.670 123.723 120.200 -0.245 0.000 2.256 271 E HA 0.289 4.644 4.350 0.008 0.000 0.243 271 E C -2.440 174.178 176.600 0.030 0.000 0.925 271 E CA -2.062 54.285 56.400 -0.087 0.000 0.748 271 E CB 2.039 31.719 29.700 -0.034 0.000 1.206 271 E HN 0.268 nan 8.360 nan 0.000 0.428 272 P HA 0.144 nan 4.420 nan 0.000 0.274 272 P C -0.015 177.355 177.300 0.117 0.000 1.237 272 P CA -0.110 63.043 63.100 0.089 0.000 0.793 272 P CB 0.958 32.705 31.700 0.079 0.000 0.977 273 I N -2.459 118.194 120.570 0.138 0.000 2.863 273 I HA 0.652 4.827 4.170 0.008 0.000 0.311 273 I C 1.429 177.653 176.117 0.179 0.000 1.026 273 I CA -1.240 60.152 61.300 0.154 0.000 1.077 273 I CB 1.444 39.532 38.000 0.148 0.000 1.262 273 I HN 0.245 nan 8.210 nan 0.000 0.461 274 A N 3.238 126.178 122.820 0.201 0.000 1.927 274 A HA -0.208 4.117 4.320 0.008 0.000 0.220 274 A C 2.337 180.173 177.584 0.419 0.000 1.185 274 A CA 2.717 54.899 52.037 0.241 0.000 0.639 274 A CB -1.257 17.886 19.000 0.240 0.000 0.820 274 A HN 1.089 nan 8.150 nan 0.000 0.451 275 A N 0.134 123.198 122.820 0.408 0.000 1.883 275 A HA -0.127 4.198 4.320 0.008 0.000 0.217 275 A C 2.444 180.186 177.584 0.262 0.000 1.186 275 A CA 2.555 54.780 52.037 0.314 0.000 0.624 275 A CB -1.037 18.054 19.000 0.152 0.000 0.822 275 A HN 1.143 nan 8.150 nan 0.000 0.444 276 S N -0.858 114.969 115.700 0.211 0.000 2.561 276 S HA 0.174 4.648 4.470 0.008 0.000 0.225 276 S C 1.393 176.103 174.600 0.183 0.000 0.977 276 S CA 0.974 59.283 58.200 0.182 0.000 0.926 276 S CB -0.293 63.000 63.200 0.155 0.000 0.769 276 S HN 0.406 nan 8.310 nan 0.000 0.533 277 L N 0.226 121.568 121.223 0.199 0.000 2.515 277 L HA 0.412 4.756 4.340 0.008 0.000 0.223 277 L C 2.392 179.375 176.870 0.188 0.000 1.079 277 L CA 0.650 55.591 54.840 0.168 0.000 0.857 277 L CB -0.132 42.008 42.059 0.135 0.000 1.050 277 L HN 0.476 nan 8.230 nan 0.000 0.476 278 G N -1.688 107.280 108.800 0.281 0.000 2.743 278 G HA2 0.115 4.080 3.960 0.008 0.000 0.206 278 G HA3 0.115 4.080 3.960 0.008 0.000 0.206 278 G C 0.484 175.602 174.900 0.363 0.000 1.115 278 G CA 0.463 45.763 45.100 0.333 0.000 0.782 278 G HN 0.147 nan 8.290 nan 0.000 0.524 279 T N -0.161 114.586 114.554 0.321 0.000 2.778 279 T HA 0.523 4.878 4.350 0.008 0.000 0.293 279 T C -1.655 173.163 174.700 0.195 0.000 1.144 279 T CA -0.162 62.073 62.100 0.225 0.000 1.010 279 T CB 2.038 70.966 68.868 0.099 0.000 1.325 279 T HN 0.239 nan 8.240 nan 0.000 0.515 280 D N -1.028 119.499 120.400 0.210 0.000 2.758 280 D HA 0.545 5.190 4.640 0.008 0.000 0.262 280 D C 0.894 177.292 176.300 0.163 0.000 1.113 280 D CA -0.332 53.777 54.000 0.181 0.000 1.114 280 D CB 0.281 41.169 40.800 0.148 0.000 1.363 280 D HN 0.679 nan 8.370 nan 0.000 0.617 281 G N -1.846 107.047 108.800 0.154 0.000 3.233 281 G HA2 0.065 4.030 3.960 0.008 0.000 0.234 281 G HA3 0.065 4.030 3.960 0.008 0.000 0.234 281 G C 1.060 176.119 174.900 0.265 0.000 1.137 281 G CA 0.508 45.706 45.100 0.163 0.000 0.763 281 G HN 0.617 nan 8.290 nan 0.000 0.549 282 T N -2.315 112.306 114.554 0.113 0.000 2.929 282 T HA -0.147 4.208 4.350 0.008 0.000 0.271 282 T C 1.783 176.512 174.700 0.048 0.000 1.085 282 T CA 0.933 63.050 62.100 0.028 0.000 1.125 282 T CB -0.552 68.217 68.868 -0.164 0.000 0.874 282 T HN 0.446 nan 8.240 nan 0.000 0.494 283 H N -0.336 118.682 119.070 -0.086 0.000 2.545 283 H HA 0.031 4.592 4.556 0.008 0.000 0.282 283 H C 1.432 176.673 175.328 -0.145 0.000 1.020 283 H CA 1.012 56.929 56.048 -0.218 0.000 1.243 283 H CB -0.272 29.032 29.762 -0.764 0.000 1.377 283 H HN 0.576 nan 8.280 nan 0.000 0.581 284 Y N -0.991 119.402 120.300 0.155 0.000 2.421 284 Y HA -0.173 4.382 4.550 0.008 0.000 0.292 284 Y C 1.922 177.711 175.900 -0.185 0.000 1.136 284 Y CA 0.141 58.199 58.100 -0.070 0.000 1.255 284 Y CB 0.068 38.384 38.460 -0.241 0.000 0.991 284 Y HN 0.276 nan 8.280 nan 0.000 0.552 285 W N 0.315 121.657 121.300 0.071 0.000 3.316 285 W HA 0.056 4.718 4.660 0.004 0.000 0.327 285 W C 0.521 177.029 176.519 -0.019 0.000 1.232 285 W CA -0.325 57.032 57.345 0.020 0.000 1.805 285 W CB -0.125 29.334 29.460 -0.002 0.000 1.090 285 W HN -0.072 nan 8.180 nan 0.000 0.654 286 N N 2.050 120.825 118.700 0.125 0.000 2.454 286 N HA -0.056 4.688 4.740 0.008 0.000 0.254 286 N C 1.021 176.543 175.510 0.020 0.000 1.228 286 N CA 0.796 53.853 53.050 0.012 0.000 0.900 286 N CB 1.035 39.475 38.487 -0.079 0.000 1.089 286 N HN 0.069 nan 8.380 nan 0.000 0.449 287 K N 1.629 122.034 120.400 0.009 0.000 2.209 287 K HA -0.083 4.242 4.320 0.008 0.000 0.204 287 K C 0.030 176.671 176.600 0.068 0.000 1.048 287 K CA 0.976 57.289 56.287 0.042 0.000 0.940 287 K CB 0.104 32.624 32.500 0.034 0.000 0.729 287 K HN 0.600 nan 8.250 nan 0.000 0.451 288 E N -0.096 120.128 120.200 0.040 0.000 2.146 288 E HA -0.024 4.330 4.350 0.008 0.000 0.282 288 E C -0.278 176.375 176.600 0.087 0.000 0.989 288 E CA -0.498 55.953 56.400 0.085 0.000 0.799 288 E CB 0.748 30.468 29.700 0.033 0.000 1.088 288 E HN 0.198 nan 8.360 nan 0.000 0.397 289 W N 5.176 126.501 121.300 0.042 0.000 2.318 289 W HA -0.282 4.381 4.660 0.005 0.000 0.313 289 W C 2.229 178.770 176.519 0.037 0.000 1.221 289 W CA 2.296 59.666 57.345 0.043 0.000 1.266 289 W CB 0.001 29.496 29.460 0.058 0.000 1.150 289 W HN 0.766 nan 8.180 nan 0.000 0.496 290 H N -2.221 117.013 119.070 0.274 0.000 2.387 290 H HA -0.236 4.324 4.556 0.007 0.000 0.299 290 H C 1.938 177.195 175.328 -0.120 0.000 1.090 290 H CA 2.007 58.096 56.048 0.068 0.000 1.332 290 H CB -1.434 28.494 29.762 0.276 0.000 1.386 290 H HN 0.404 nan 8.280 nan 0.000 0.516 291 H N 1.355 120.037 119.070 -0.648 0.000 2.319 291 H HA -0.024 4.539 4.556 0.013 0.000 0.299 291 H C 2.500 177.748 175.328 -0.133 0.000 1.092 291 H CA 2.341 58.203 56.048 -0.310 0.000 1.302 291 H CB -0.205 29.464 29.762 -0.155 0.000 1.373 291 H HN 0.470 nan 8.280 nan 0.000 0.497 292 A N 0.536 123.313 122.820 -0.073 0.000 1.930 292 A HA -0.036 4.288 4.320 0.008 0.000 0.217 292 A C 2.528 179.975 177.584 -0.228 0.000 1.175 292 A CA 1.452 53.429 52.037 -0.100 0.000 0.627 292 A CB -1.166 17.752 19.000 -0.137 0.000 0.815 292 A HN 0.607 nan 8.150 nan 0.000 0.443 293 A N -1.606 120.839 122.820 -0.625 0.000 1.969 293 A HA -0.158 4.166 4.320 0.008 0.000 0.218 293 A C 1.894 179.176 177.584 -0.504 0.000 1.169 293 A CA 1.316 52.897 52.037 -0.760 0.000 0.635 293 A CB -0.820 17.271 19.000 -1.515 0.000 0.810 293 A HN 0.627 nan 8.150 nan 0.000 0.445 294 H N -1.410 117.347 119.070 -0.521 0.000 2.563 294 H HA -0.001 4.560 4.556 0.007 0.000 0.272 294 H C 0.601 175.622 175.328 -0.511 0.000 1.005 294 H CA 1.047 56.736 56.048 -0.598 0.000 1.171 294 H CB 0.074 29.026 29.762 -1.350 0.000 1.351 294 H HN 0.723 nan 8.280 nan 0.000 0.602 295 H N -1.462 117.474 119.070 -0.223 0.000 2.755 295 H HA 0.154 4.714 4.556 0.008 0.000 0.273 295 H C 0.357 175.707 175.328 0.036 0.000 1.055 295 H CA -0.092 55.836 56.048 -0.200 0.000 1.191 295 H CB 0.899 30.368 29.762 -0.488 0.000 1.536 295 H HN -0.094 nan 8.280 nan 0.000 0.529 296 V N 3.722 123.723 119.914 0.144 0.000 2.470 296 V HA 0.187 4.311 4.120 0.008 0.000 0.276 296 V C 0.218 176.333 176.094 0.034 0.000 1.040 296 V CA 0.331 62.658 62.300 0.045 0.000 1.008 296 V CB -0.289 31.364 31.823 -0.284 0.000 0.990 296 V HN 0.433 nan 8.190 nan 0.000 0.477 297 M N 3.870 123.565 119.600 0.159 0.000 3.008 297 M HA 0.877 5.361 4.480 0.008 0.000 0.271 297 M C -0.446 176.090 176.300 0.393 0.000 1.265 297 M CA -0.719 54.733 55.300 0.254 0.000 0.817 297 M CB 2.232 34.947 32.600 0.192 0.000 1.638 297 M HN 0.460 nan 8.290 nan 0.000 0.479 298 G N 1.007 109.991 108.800 0.307 0.000 2.626 298 G HA2 0.720 4.684 3.960 0.008 0.000 0.304 298 G HA3 0.720 4.684 3.960 0.008 0.000 0.304 298 G C -3.329 171.512 174.900 -0.098 0.000 1.385 298 G CA -1.530 43.734 45.100 0.274 0.000 0.957 298 G HN 0.418 nan 8.290 nan 0.000 0.504 299 P HA 0.269 nan 4.420 nan 0.000 0.272 299 P C -2.509 174.841 177.300 0.083 0.000 1.240 299 P CA -1.358 61.740 63.100 -0.004 0.000 0.791 299 P CB 0.530 32.214 31.700 -0.026 0.000 0.978 300 P HA 0.148 nan 4.420 nan 0.000 0.274 300 P C -0.391 177.092 177.300 0.305 0.000 1.246 300 P CA -0.140 63.131 63.100 0.285 0.000 0.795 300 P CB 0.325 32.105 31.700 0.134 0.000 1.006 301 L N 1.789 123.280 121.223 0.447 0.000 2.456 301 L HA 0.151 4.496 4.340 0.008 0.000 0.272 301 L C 1.213 178.298 176.870 0.359 0.000 1.189 301 L CA -0.016 55.012 54.840 0.312 0.000 0.846 301 L CB 0.077 42.244 42.059 0.181 0.000 1.111 301 L HN 0.208 nan 8.230 nan 0.000 0.475 302 R N 3.934 124.572 120.500 0.229 0.000 2.349 302 R HA 0.245 4.590 4.340 0.008 0.000 0.299 302 R C -1.857 174.542 176.300 0.165 0.000 1.027 302 R CA -2.446 53.768 56.100 0.190 0.000 0.958 302 R CB 0.549 30.917 30.300 0.114 0.000 1.047 302 R HN 0.335 nan 8.270 nan 0.000 0.468 303 P HA -0.018 nan 4.420 nan 0.000 0.258 303 P C -0.405 176.863 177.300 -0.053 0.000 1.319 303 P CA 0.341 63.451 63.100 0.017 0.000 0.785 303 P CB 0.206 31.825 31.700 -0.135 0.000 1.252 304 D N 0.960 121.357 120.400 -0.005 0.000 2.454 304 D HA 0.191 4.836 4.640 0.008 0.000 0.225 304 D C -1.643 174.662 176.300 0.008 0.000 1.081 304 D CA -2.463 51.524 54.000 -0.022 0.000 0.864 304 D CB 1.267 42.051 40.800 -0.027 0.000 1.040 304 D HN -0.096 nan 8.370 nan 0.000 0.517 305 P HA -0.138 nan 4.420 nan 0.000 0.220 305 P C 1.015 178.344 177.300 0.048 0.000 1.144 305 P CA 0.946 64.061 63.100 0.025 0.000 0.800 305 P CB 0.174 31.874 31.700 0.001 0.000 0.772 306 S N -3.348 112.374 115.700 0.036 0.000 2.631 306 S HA 0.026 4.501 4.470 0.008 0.000 0.217 306 S C 1.494 176.154 174.600 0.099 0.000 0.958 306 S CA 0.487 58.723 58.200 0.061 0.000 0.920 306 S CB -1.291 61.933 63.200 0.040 0.000 0.776 306 S HN 0.073 nan 8.310 nan 0.000 0.517 307 T N 3.623 118.233 114.554 0.092 0.000 2.674 307 T HA 0.004 4.359 4.350 0.008 0.000 0.265 307 T C -0.716 174.089 174.700 0.175 0.000 1.039 307 T CA 1.437 63.615 62.100 0.129 0.000 1.150 307 T CB -1.597 67.335 68.868 0.106 0.000 0.864 307 T HN 0.380 nan 8.240 nan 0.000 0.427 308 P HA -0.135 nan 4.420 nan 0.000 0.216 308 P C 1.312 178.693 177.300 0.136 0.000 1.150 308 P CA 1.138 64.327 63.100 0.148 0.000 0.843 308 P CB -0.105 31.682 31.700 0.146 0.000 0.787 309 D N -1.724 118.757 120.400 0.136 0.000 2.097 309 D HA -0.170 4.475 4.640 0.008 0.000 0.197 309 D C 1.781 178.161 176.300 0.134 0.000 0.984 309 D CA 0.969 55.040 54.000 0.118 0.000 0.826 309 D CB -0.396 40.471 40.800 0.112 0.000 0.973 309 D HN 0.045 nan 8.370 nan 0.000 0.460 310 F N 1.373 121.343 119.950 0.032 0.000 2.113 310 F HA -0.094 4.438 4.527 0.007 0.000 0.297 310 F C 2.364 178.180 175.800 0.027 0.000 1.103 310 F CA 1.028 59.044 58.000 0.025 0.000 1.248 310 F CB -0.277 38.737 39.000 0.023 0.000 0.999 310 F HN -0.080 nan 8.300 nan 0.000 0.475 311 L N -0.794 120.540 121.223 0.185 0.000 2.046 311 L HA -0.246 4.099 4.340 0.008 0.000 0.208 311 L C 2.473 179.345 176.870 0.005 0.000 1.077 311 L CA 1.408 56.305 54.840 0.094 0.000 0.747 311 L CB -0.690 41.455 42.059 0.145 0.000 0.896 311 L HN 0.260 nan 8.230 nan 0.000 0.432 312 M N 0.383 119.999 119.600 0.026 0.000 2.108 312 M HA -0.198 4.286 4.480 0.008 0.000 0.261 312 M C 1.965 178.236 176.300 -0.050 0.000 1.066 312 M CA 1.720 57.024 55.300 0.006 0.000 1.107 312 M CB -0.584 32.035 32.600 0.032 0.000 1.356 312 M HN 0.142 nan 8.290 nan 0.000 0.406 313 N N 0.188 118.829 118.700 -0.098 0.000 2.069 313 N HA -0.138 4.607 4.740 0.008 0.000 0.191 313 N C 1.728 177.127 175.510 -0.186 0.000 1.031 313 N CA 1.792 54.751 53.050 -0.152 0.000 0.852 313 N CB -0.596 37.764 38.487 -0.211 0.000 1.018 313 N HN 0.432 nan 8.380 nan 0.000 0.423 314 L N 0.151 121.217 121.223 -0.261 0.000 2.093 314 L HA -0.096 4.248 4.340 0.008 0.000 0.208 314 L C 2.317 179.120 176.870 -0.112 0.000 1.085 314 L CA 0.567 55.276 54.840 -0.218 0.000 0.755 314 L CB -0.552 41.356 42.059 -0.253 0.000 0.904 314 L HN 0.125 nan 8.230 nan 0.000 0.435 315 L N 0.809 121.985 121.223 -0.078 0.000 2.046 315 L HA -0.154 4.191 4.340 0.008 0.000 0.208 315 L C 2.692 179.542 176.870 -0.035 0.000 1.077 315 L CA 1.955 56.773 54.840 -0.037 0.000 0.747 315 L CB -0.598 41.454 42.059 -0.011 0.000 0.896 315 L HN 0.152 nan 8.230 nan 0.000 0.432 316 A N -0.751 122.042 122.820 -0.045 0.000 1.972 316 A HA -0.236 4.089 4.320 0.008 0.000 0.219 316 A C 2.089 179.647 177.584 -0.043 0.000 1.169 316 A CA 1.819 53.832 52.037 -0.040 0.000 0.635 316 A CB -0.813 18.157 19.000 -0.050 0.000 0.810 316 A HN 0.598 nan 8.150 nan 0.000 0.446 317 N N -1.151 117.514 118.700 -0.058 0.000 2.336 317 N HA 0.008 4.752 4.740 0.008 0.000 0.189 317 N C 0.062 175.548 175.510 -0.041 0.000 1.113 317 N CA 0.926 53.943 53.050 -0.055 0.000 0.858 317 N CB -0.079 38.361 38.487 -0.078 0.000 0.970 317 N HN 0.347 nan 8.380 nan 0.000 0.471 318 D N -1.287 119.094 120.400 -0.032 0.000 3.077 318 D HA -0.182 4.463 4.640 0.008 0.000 0.212 318 D C 0.195 176.484 176.300 -0.019 0.000 1.125 318 D CA 1.090 55.084 54.000 -0.009 0.000 0.970 318 D CB -1.277 39.528 40.800 0.009 0.000 1.110 318 D HN 0.334 nan 8.370 nan 0.000 0.419 319 D N -0.494 119.877 120.400 -0.048 0.000 2.144 319 D HA 0.006 4.650 4.640 0.008 0.000 0.200 319 D C 1.063 177.334 176.300 -0.049 0.000 0.978 319 D CA 0.821 54.785 54.000 -0.060 0.000 0.833 319 D CB 0.196 40.947 40.800 -0.082 0.000 0.961 319 D HN 0.387 nan 8.370 nan 0.000 0.470 320 L N 0.095 121.295 121.223 -0.038 0.000 2.334 320 L HA 0.267 4.611 4.340 0.008 0.000 0.276 320 L C 1.442 178.314 176.870 0.004 0.000 1.014 320 L CA -0.320 54.508 54.840 -0.021 0.000 0.815 320 L CB 2.199 44.247 42.059 -0.018 0.000 1.268 320 L HN -0.123 nan 8.230 nan 0.000 0.428 321 T N -3.423 111.149 114.554 0.029 0.000 3.019 321 T HA 0.118 4.473 4.350 0.008 0.000 0.247 321 T C 0.712 175.428 174.700 0.027 0.000 0.992 321 T CA 0.550 62.682 62.100 0.053 0.000 1.036 321 T CB 0.399 69.360 68.868 0.155 0.000 1.063 321 T HN 0.631 nan 8.240 nan 0.000 0.476 322 T N 0.301 114.879 114.554 0.040 0.000 2.938 322 T HA 0.692 5.047 4.350 0.008 0.000 0.285 322 T C -0.796 173.955 174.700 0.085 0.000 1.028 322 T CA -0.636 61.511 62.100 0.077 0.000 1.005 322 T CB 1.754 70.746 68.868 0.206 0.000 1.157 322 T HN 0.150 nan 8.240 nan 0.000 0.550 323 T N 0.386 115.003 114.554 0.106 0.000 2.921 323 T HA 0.721 5.076 4.350 0.008 0.000 0.297 323 T C 0.119 174.914 174.700 0.158 0.000 1.013 323 T CA -0.678 61.484 62.100 0.104 0.000 0.990 323 T CB 1.515 70.405 68.868 0.037 0.000 1.023 323 T HN 1.075 nan 8.240 nan 0.000 0.447 324 G N 0.485 109.400 108.800 0.191 0.000 3.211 324 G HA2 0.649 4.614 3.960 0.008 0.000 0.262 324 G HA3 0.649 4.614 3.960 0.008 0.000 0.262 324 G C 0.533 175.545 174.900 0.186 0.000 1.352 324 G CA -0.122 45.116 45.100 0.230 0.000 1.004 324 G HN 0.723 nan 8.290 nan 0.000 0.559 325 T N -4.288 110.385 114.554 0.198 0.000 2.992 325 T HA 0.175 4.530 4.350 0.008 0.000 0.255 325 T C 0.708 175.497 174.700 0.149 0.000 0.938 325 T CA 1.171 63.378 62.100 0.178 0.000 0.895 325 T CB 0.306 69.282 68.868 0.181 0.000 1.221 325 T HN 0.600 nan 8.240 nan 0.000 0.512 326 D N 1.652 122.126 120.400 0.124 0.000 2.911 326 D HA -0.198 4.446 4.640 0.008 0.000 0.227 326 D C -0.158 176.309 176.300 0.278 0.000 1.164 326 D CA 0.576 54.656 54.000 0.133 0.000 0.782 326 D CB -2.312 38.457 40.800 -0.052 0.000 1.094 326 D HN 0.731 nan 8.370 nan 0.000 0.425 327 N N 0.028 118.874 118.700 0.243 0.000 2.332 327 N HA 0.029 4.774 4.740 0.008 0.000 0.274 327 N C -0.753 174.865 175.510 0.179 0.000 1.351 327 N CA 0.925 54.078 53.050 0.171 0.000 0.875 327 N CB 0.142 38.699 38.487 0.116 0.000 1.140 327 N HN 0.320 nan 8.380 nan 0.000 0.489 328 C N 4.304 123.681 119.300 0.128 0.000 3.432 328 C HA 0.263 4.728 4.460 0.008 0.000 0.242 328 C C -0.098 174.842 174.990 -0.084 0.000 1.152 328 C CA -0.528 58.532 59.018 0.071 0.000 1.242 328 C CB -1.503 26.351 27.740 0.191 0.000 1.802 328 C HN 0.816 nan 8.230 nan 0.000 0.577 329 T N 0.378 114.810 114.554 -0.204 0.000 2.817 329 T HA 0.728 5.083 4.350 0.008 0.000 0.293 329 T C -0.728 173.741 174.700 -0.384 0.000 0.964 329 T CA -0.099 61.916 62.100 -0.140 0.000 1.085 329 T CB 0.854 69.688 68.868 -0.057 0.000 0.921 329 T HN 0.362 nan 8.240 nan 0.000 0.502 330 F N 1.241 121.259 119.950 0.114 0.000 2.551 330 F HA 0.441 4.973 4.527 0.007 0.000 0.316 330 F C 0.787 176.674 175.800 0.146 0.000 1.089 330 F CA -1.199 56.857 58.000 0.093 0.000 0.915 330 F CB 1.749 40.778 39.000 0.047 0.000 1.186 330 F HN 0.596 nan 8.300 nan 0.000 0.456 331 N N 0.153 119.036 118.700 0.305 0.000 2.340 331 N HA 0.059 4.804 4.740 0.008 0.000 0.236 331 N C 0.865 176.531 175.510 0.260 0.000 1.296 331 N CA 0.225 53.443 53.050 0.279 0.000 0.896 331 N CB 0.564 39.163 38.487 0.186 0.000 1.127 331 N HN 0.641 nan 8.380 nan 0.000 0.442 332 T N -0.321 114.423 114.554 0.316 0.000 2.720 332 T HA -0.197 4.158 4.350 0.008 0.000 0.268 332 T C 2.017 176.810 174.700 0.154 0.000 1.037 332 T CA 1.467 63.730 62.100 0.272 0.000 1.144 332 T CB -0.499 68.562 68.868 0.320 0.000 0.864 332 T HN 0.841 nan 8.240 nan 0.000 0.444 333 C N 1.357 120.736 119.300 0.133 0.000 2.446 333 C HA 0.094 4.559 4.460 0.008 0.000 0.279 333 C C 2.564 177.599 174.990 0.075 0.000 1.366 333 C CA -0.127 58.946 59.018 0.090 0.000 1.763 333 C CB -1.377 26.403 27.740 0.067 0.000 1.929 333 C HN 0.445 nan 8.230 nan 0.000 0.509 334 Q N 1.028 120.888 119.800 0.098 0.000 2.049 334 Q HA -0.082 4.263 4.340 0.008 0.000 0.198 334 Q C 2.290 178.293 176.000 0.005 0.000 0.971 334 Q CA 1.169 57.024 55.803 0.087 0.000 0.833 334 Q CB -0.115 28.756 28.738 0.222 0.000 0.896 334 Q HN 0.600 nan 8.270 nan 0.000 0.434 335 K N 0.479 120.878 120.400 -0.001 0.000 2.209 335 K HA -0.083 4.242 4.320 0.008 0.000 0.204 335 K C 1.875 178.580 176.600 0.174 0.000 1.048 335 K CA 1.014 57.267 56.287 -0.056 0.000 0.940 335 K CB -0.234 32.113 32.500 -0.254 0.000 0.729 335 K HN 0.154 nan 8.250 nan 0.000 0.451 336 A N 1.294 124.234 122.820 0.200 0.000 2.186 336 A HA -0.099 4.226 4.320 0.008 0.000 0.219 336 A C 2.045 179.620 177.584 -0.016 0.000 1.159 336 A CA 0.813 52.923 52.037 0.122 0.000 0.680 336 A CB -0.643 18.368 19.000 0.017 0.000 0.787 336 A HN 0.205 nan 8.150 nan 0.000 0.467 337 L N -1.180 120.040 121.223 -0.005 0.000 2.349 337 L HA -0.118 4.227 4.340 0.008 0.000 0.220 337 L C 1.862 178.700 176.870 -0.053 0.000 1.130 337 L CA 0.884 55.690 54.840 -0.056 0.000 0.791 337 L CB -0.136 41.871 42.059 -0.086 0.000 0.918 337 L HN 0.508 nan 8.230 nan 0.000 0.444 338 G N -0.405 108.411 108.800 0.028 0.000 4.547 338 G HA2 0.121 4.086 3.960 0.008 0.000 0.301 338 G HA3 0.121 4.086 3.960 0.008 0.000 0.301 338 G C 1.062 176.050 174.900 0.147 0.000 1.240 338 G CA -0.349 44.789 45.100 0.063 0.000 0.970 338 G HN 0.336 nan 8.290 nan 0.000 0.574 339 K N -0.940 119.362 120.400 -0.165 0.000 2.288 339 K HA 0.049 4.374 4.320 0.008 0.000 0.201 339 K C 0.291 176.685 176.600 -0.343 0.000 1.048 339 K CA 1.032 56.936 56.287 -0.639 0.000 0.956 339 K CB 0.333 32.322 32.500 -0.851 0.000 0.746 339 K HN 0.067 nan 8.250 nan 0.000 0.461 340 D N 0.255 120.564 120.400 -0.152 0.000 2.503 340 D HA 0.094 4.738 4.640 0.008 0.000 0.218 340 D C -0.767 175.512 176.300 -0.034 0.000 1.183 340 D CA 0.103 54.050 54.000 -0.088 0.000 0.827 340 D CB 0.725 41.460 40.800 -0.108 0.000 1.034 340 D HN 0.166 nan 8.370 nan 0.000 0.510 341 D N 0.518 120.912 120.400 -0.009 0.000 2.333 341 D HA -0.026 4.619 4.640 0.008 0.000 0.225 341 D C 0.736 177.004 176.300 -0.053 0.000 1.345 341 D CA -0.502 53.449 54.000 -0.082 0.000 0.971 341 D CB 0.331 41.046 40.800 -0.142 0.000 1.451 341 D HN -0.112 nan 8.370 nan 0.000 0.561 342 F N 1.962 121.936 119.950 0.040 0.000 2.333 342 F HA -0.071 4.460 4.527 0.008 0.000 0.300 342 F C 1.973 177.781 175.800 0.012 0.000 1.083 342 F CA 1.408 59.431 58.000 0.039 0.000 1.395 342 F CB -1.005 38.008 39.000 0.021 0.000 1.056 342 F HN 0.247 nan 8.300 nan 0.000 0.529 343 T N -2.322 111.934 114.554 -0.498 0.000 3.035 343 T HA -0.010 4.345 4.350 0.008 0.000 0.268 343 T C 1.428 176.029 174.700 -0.164 0.000 1.109 343 T CA 0.800 62.718 62.100 -0.302 0.000 1.119 343 T CB -0.461 68.150 68.868 -0.428 0.000 0.900 343 T HN 0.464 nan 8.240 nan 0.000 0.503 344 K N 0.561 120.871 120.400 -0.150 0.000 2.374 344 K HA 0.338 4.663 4.320 0.008 0.000 0.196 344 K C 0.016 176.545 176.600 -0.119 0.000 1.023 344 K CA -0.141 56.063 56.287 -0.138 0.000 1.103 344 K CB 0.178 32.602 32.500 -0.126 0.000 0.848 344 K HN 0.476 nan 8.250 nan 0.000 0.528 345 I N 3.394 123.921 120.570 -0.072 0.000 2.452 345 I HA 0.080 4.254 4.170 0.008 0.000 0.287 345 I C -2.292 173.695 176.117 -0.216 0.000 1.079 345 I CA -2.338 58.905 61.300 -0.095 0.000 1.387 345 I CB 0.320 38.289 38.000 -0.052 0.000 1.404 345 I HN -0.277 nan 8.210 nan 0.000 0.522 346 P HA -0.005 nan 4.420 nan 0.000 0.261 346 P C -0.692 176.423 177.300 -0.308 0.000 1.203 346 P CA 0.256 62.979 63.100 -0.629 0.000 0.767 346 P CB 0.138 30.922 31.700 -1.526 0.000 0.785 347 N N 2.480 121.246 118.700 0.110 0.000 2.520 347 N HA 0.467 5.212 4.740 0.008 0.000 0.273 347 N C 0.289 176.097 175.510 0.495 0.000 1.155 347 N CA 0.253 53.499 53.050 0.327 0.000 0.967 347 N CB 0.665 39.480 38.487 0.548 0.000 1.092 347 N HN 0.530 nan 8.380 nan 0.000 0.457 348 G N -0.127 108.884 108.800 0.352 0.000 2.307 348 G HA2 0.210 4.175 3.960 0.008 0.000 0.348 348 G HA3 0.210 4.175 3.960 0.008 0.000 0.348 348 G C -1.100 173.944 174.900 0.241 0.000 1.603 348 G CA -0.743 44.558 45.100 0.335 0.000 0.961 348 G HN 0.518 nan 8.290 nan 0.000 0.686 349 V N -1.188 118.820 119.914 0.156 0.000 3.160 349 V HA 0.887 5.012 4.120 0.008 0.000 0.310 349 V C 0.290 176.429 176.094 0.076 0.000 1.181 349 V CA -0.826 61.521 62.300 0.080 0.000 1.047 349 V CB 1.906 33.720 31.823 -0.015 0.000 1.068 349 V HN 1.368 nan 8.190 nan 0.000 0.441 350 N N 0.429 119.151 118.700 0.038 0.000 2.381 350 N HA 0.598 5.343 4.740 0.008 0.000 0.254 350 N C 0.485 176.085 175.510 0.150 0.000 1.264 350 N CA 0.319 53.408 53.050 0.065 0.000 0.942 350 N CB 1.658 40.175 38.487 0.050 0.000 1.190 350 N HN 1.513 nan 8.380 nan 0.000 0.495 351 G N -1.269 107.658 108.800 0.211 0.000 3.976 351 G HA2 -0.167 3.798 3.960 0.008 0.000 0.178 351 G HA3 -0.167 3.798 3.960 0.008 0.000 0.178 351 G C 0.780 175.796 174.900 0.194 0.000 0.859 351 G CA 0.301 45.594 45.100 0.322 0.000 0.895 351 G HN 0.446 nan 8.290 nan 0.000 0.390 352 V N 1.190 121.178 119.914 0.123 0.000 2.380 352 V HA -0.143 3.982 4.120 0.008 0.000 0.251 352 V C 2.320 178.454 176.094 0.066 0.000 1.063 352 V CA 3.352 65.702 62.300 0.083 0.000 1.055 352 V CB 0.306 32.156 31.823 0.045 0.000 0.657 352 V HN 0.591 nan 8.190 nan 0.000 0.455 353 E N -1.022 119.215 120.200 0.062 0.000 2.060 353 E HA -0.159 4.195 4.350 0.008 0.000 0.189 353 E C 1.697 178.344 176.600 0.078 0.000 0.974 353 E CA 1.233 57.666 56.400 0.055 0.000 0.808 353 E CB -0.061 29.670 29.700 0.052 0.000 0.768 353 E HN 0.717 nan 8.360 nan 0.000 0.453 354 D N 0.204 120.657 120.400 0.088 0.000 2.348 354 D HA -0.071 4.574 4.640 0.008 0.000 0.211 354 D C 1.843 178.123 176.300 -0.034 0.000 0.998 354 D CA 0.040 54.054 54.000 0.023 0.000 0.873 354 D CB -0.046 40.745 40.800 -0.015 0.000 0.925 354 D HN 0.150 nan 8.370 nan 0.000 0.524 355 R N 1.058 121.570 120.500 0.020 0.000 2.162 355 R HA -0.219 4.126 4.340 0.008 0.000 0.245 355 R C 2.213 178.576 176.300 0.105 0.000 1.129 355 R CA 1.706 57.827 56.100 0.034 0.000 0.940 355 R CB -0.121 30.222 30.300 0.072 0.000 0.875 355 R HN 0.019 nan 8.270 nan 0.000 0.437 356 M N -0.078 119.632 119.600 0.184 0.000 2.080 356 M HA -0.140 4.345 4.480 0.008 0.000 0.260 356 M C 2.450 179.084 176.300 0.556 0.000 1.068 356 M CA 1.704 57.215 55.300 0.351 0.000 1.109 356 M CB -0.797 31.993 32.600 0.317 0.000 1.342 356 M HN 0.209 nan 8.290 nan 0.000 0.405 357 S N 0.359 116.340 115.700 0.469 0.000 2.368 357 S HA -0.069 4.406 4.470 0.008 0.000 0.224 357 S C 2.116 176.872 174.600 0.260 0.000 1.029 357 S CA 0.936 59.381 58.200 0.407 0.000 0.988 357 S CB -0.239 63.074 63.200 0.187 0.000 0.838 357 S HN 0.234 nan 8.310 nan 0.000 0.462 358 V N 2.043 122.003 119.914 0.075 0.000 2.332 358 V HA -0.190 3.935 4.120 0.008 0.000 0.248 358 V C 1.988 178.146 176.094 0.107 0.000 1.055 358 V CA 1.673 63.947 62.300 -0.044 0.000 1.038 358 V CB -0.591 30.999 31.823 -0.389 0.000 0.651 358 V HN 0.460 nan 8.190 nan 0.000 0.450 359 I N -1.399 119.300 120.570 0.214 0.000 2.353 359 I HA -0.221 3.953 4.170 0.008 0.000 0.248 359 I C 2.355 178.679 176.117 0.344 0.000 1.119 359 I CA 1.399 62.875 61.300 0.293 0.000 1.417 359 I CB -0.376 37.826 38.000 0.335 0.000 1.078 359 I HN 0.489 nan 8.210 nan 0.000 0.421 360 W N 2.360 123.780 121.300 0.199 0.000 2.355 360 W HA -0.262 4.402 4.660 0.007 0.000 0.309 360 W C 2.406 178.963 176.519 0.064 0.000 1.206 360 W CA 2.237 59.537 57.345 -0.075 0.000 1.284 360 W CB -0.056 29.374 29.460 -0.049 0.000 1.145 360 W HN 0.180 nan 8.180 nan 0.000 0.502 361 E N 0.858 121.241 120.200 0.305 0.000 2.028 361 E HA -0.193 4.162 4.350 0.008 0.000 0.191 361 E C 2.028 178.707 176.600 0.132 0.000 0.988 361 E CA 1.862 58.395 56.400 0.223 0.000 0.799 361 E CB -0.486 29.329 29.700 0.192 0.000 0.755 361 E HN -0.121 nan 8.360 nan 0.000 0.447 362 K N -0.692 119.774 120.400 0.109 0.000 2.366 362 K HA 0.108 4.433 4.320 0.008 0.000 0.198 362 K C 1.728 178.353 176.600 0.042 0.000 1.044 362 K CA 0.949 57.286 56.287 0.083 0.000 0.973 362 K CB 0.368 32.923 32.500 0.093 0.000 0.767 362 K HN 0.296 nan 8.250 nan 0.000 0.475 363 G N -0.153 108.653 108.800 0.010 0.000 2.828 363 G HA2 -0.005 3.960 3.960 0.008 0.000 0.201 363 G HA3 -0.005 3.960 3.960 0.008 0.000 0.201 363 G C 1.492 176.294 174.900 -0.164 0.000 1.102 363 G CA -0.107 44.972 45.100 -0.036 0.000 0.815 363 G HN 0.026 nan 8.290 nan 0.000 0.590 364 V N 0.408 120.102 119.914 -0.367 0.000 2.341 364 V HA 0.000 4.125 4.120 0.008 0.000 0.240 364 V C 2.268 178.064 176.094 -0.496 0.000 1.035 364 V CA 1.903 63.811 62.300 -0.654 0.000 1.033 364 V CB -0.594 30.279 31.823 -1.583 0.000 0.678 364 V HN 0.456 nan 8.190 nan 0.000 0.464 365 H N 1.319 120.070 119.070 -0.531 0.000 2.456 365 H HA -0.123 4.438 4.556 0.008 0.000 0.296 365 H C 2.303 177.525 175.328 -0.178 0.000 1.079 365 H CA 1.634 57.511 56.048 -0.285 0.000 1.322 365 H CB 0.042 29.716 29.762 -0.146 0.000 1.388 365 H HN 0.545 nan 8.280 nan 0.000 0.538 366 S N -1.548 114.102 115.700 -0.083 0.000 2.522 366 S HA 0.085 4.559 4.470 0.008 0.000 0.227 366 S C 1.894 176.424 174.600 -0.116 0.000 0.986 366 S CA 0.521 58.680 58.200 -0.069 0.000 0.929 366 S CB -0.078 63.115 63.200 -0.011 0.000 0.769 366 S HN 0.742 nan 8.310 nan 0.000 0.529 367 G N 1.518 110.220 108.800 -0.164 0.000 2.157 367 G HA2 -0.273 3.691 3.960 0.008 0.000 0.239 367 G HA3 -0.273 3.691 3.960 0.008 0.000 0.239 367 G C 0.785 175.617 174.900 -0.112 0.000 0.982 367 G CA 0.411 45.423 45.100 -0.147 0.000 0.650 367 G HN 0.531 nan 8.290 nan 0.000 0.527 368 K N -0.491 119.848 120.400 -0.102 0.000 2.103 368 K HA 0.197 4.521 4.320 0.008 0.000 0.204 368 K C 1.499 178.051 176.600 -0.080 0.000 1.052 368 K CA 1.487 57.728 56.287 -0.077 0.000 0.945 368 K CB -0.032 32.434 32.500 -0.057 0.000 0.722 368 K HN 0.746 nan 8.250 nan 0.000 0.443 369 M N -0.634 118.903 119.600 -0.105 0.000 2.593 369 M HA 0.399 4.884 4.480 0.008 0.000 0.290 369 M C -1.425 174.796 176.300 -0.131 0.000 1.244 369 M CA -1.021 54.224 55.300 -0.091 0.000 0.857 369 M CB 1.953 34.522 32.600 -0.051 0.000 1.738 369 M HN -0.330 nan 8.290 nan 0.000 0.461 370 D N 1.684 122.033 120.400 -0.086 0.000 2.352 370 D HA 0.003 4.647 4.640 0.008 0.000 0.238 370 D C 0.971 177.214 176.300 -0.094 0.000 1.286 370 D CA 0.368 54.319 54.000 -0.081 0.000 0.923 370 D CB 0.741 41.526 40.800 -0.025 0.000 1.146 370 D HN 0.815 nan 8.370 nan 0.000 0.471 371 E N 0.136 120.301 120.200 -0.059 0.000 2.150 371 E HA -0.173 4.181 4.350 0.008 0.000 0.193 371 E C 0.918 177.621 176.600 0.172 0.000 0.985 371 E CA 0.718 57.161 56.400 0.072 0.000 0.814 371 E CB -0.106 29.715 29.700 0.203 0.000 0.752 371 E HN 0.274 nan 8.360 nan 0.000 0.466 372 N N 1.124 119.879 118.700 0.091 0.000 2.188 372 N HA -0.136 4.609 4.740 0.008 0.000 0.184 372 N C 1.895 177.448 175.510 0.073 0.000 1.018 372 N CA 1.156 54.256 53.050 0.084 0.000 0.858 372 N CB -0.271 38.249 38.487 0.056 0.000 0.989 372 N HN 0.093 nan 8.380 nan 0.000 0.426 373 R N 1.117 121.651 120.500 0.056 0.000 2.096 373 R HA -0.018 4.327 4.340 0.008 0.000 0.235 373 R C 1.989 178.323 176.300 0.057 0.000 1.127 373 R CA 0.843 56.965 56.100 0.035 0.000 0.968 373 R CB -1.046 29.261 30.300 0.013 0.000 0.861 373 R HN 0.217 nan 8.270 nan 0.000 0.440 374 F N -0.207 119.713 119.950 -0.050 0.000 2.126 374 F HA -0.198 4.334 4.527 0.008 0.000 0.299 374 F C 1.792 177.580 175.800 -0.019 0.000 1.096 374 F CA 1.631 59.612 58.000 -0.032 0.000 1.255 374 F CB -0.253 38.739 39.000 -0.014 0.000 0.997 374 F HN -0.126 nan 8.300 nan 0.000 0.479 375 V N 0.646 120.575 119.914 0.024 0.000 2.261 375 V HA -0.326 3.799 4.120 0.008 0.000 0.246 375 V C 2.781 178.797 176.094 -0.130 0.000 1.047 375 V CA 1.877 64.129 62.300 -0.080 0.000 1.015 375 V CB -1.544 30.306 31.823 0.045 0.000 0.642 375 V HN 0.501 nan 8.190 nan 0.000 0.446 376 A N -0.718 122.056 122.820 -0.076 0.000 1.948 376 A HA -0.190 4.134 4.320 0.008 0.000 0.220 376 A C 2.344 179.855 177.584 -0.121 0.000 1.177 376 A CA 2.254 54.236 52.037 -0.092 0.000 0.636 376 A CB -0.642 18.319 19.000 -0.065 0.000 0.815 376 A HN 0.353 nan 8.150 nan 0.000 0.449 377 V N -0.034 119.794 119.914 -0.144 0.000 2.951 377 V HA -0.081 4.044 4.120 0.008 0.000 0.255 377 V C 2.502 178.481 176.094 -0.191 0.000 1.088 377 V CA 2.073 64.292 62.300 -0.135 0.000 1.109 377 V CB -0.215 31.551 31.823 -0.095 0.000 0.724 377 V HN 0.870 nan 8.190 nan 0.000 0.471 378 T N -5.669 108.687 114.554 -0.331 0.000 3.001 378 T HA 0.160 4.514 4.350 0.008 0.000 0.251 378 T C 1.401 175.983 174.700 -0.197 0.000 1.040 378 T CA 0.905 62.806 62.100 -0.333 0.000 0.985 378 T CB 0.813 69.290 68.868 -0.651 0.000 1.011 378 T HN 0.257 nan 8.240 nan 0.000 0.509 379 S N -0.038 115.566 115.700 -0.160 0.000 4.193 379 S HA 0.127 4.601 4.470 0.008 0.000 0.211 379 S C 1.754 176.320 174.600 -0.058 0.000 1.162 379 S CA 0.665 58.812 58.200 -0.088 0.000 1.039 379 S CB -0.253 62.894 63.200 -0.088 0.000 1.371 379 S HN 0.380 nan 8.310 nan 0.000 0.550 380 T N 3.516 118.028 114.554 -0.070 0.000 2.708 380 T HA -0.050 4.305 4.350 0.008 0.000 0.266 380 T C 1.526 176.108 174.700 -0.198 0.000 1.037 380 T CA 1.731 63.789 62.100 -0.071 0.000 1.146 380 T CB -0.612 68.217 68.868 -0.066 0.000 0.865 380 T HN 0.351 nan 8.240 nan 0.000 0.435 381 N N 1.641 120.212 118.700 -0.216 0.000 2.166 381 N HA -0.003 4.742 4.740 0.008 0.000 0.186 381 N C 2.061 177.405 175.510 -0.276 0.000 1.019 381 N CA 1.248 54.113 53.050 -0.308 0.000 0.856 381 N CB -0.661 37.716 38.487 -0.183 0.000 0.993 381 N HN 0.455 nan 8.380 nan 0.000 0.426 382 A N 0.935 123.692 122.820 -0.105 0.000 1.877 382 A HA 0.013 4.337 4.320 0.008 0.000 0.216 382 A C 2.373 179.966 177.584 0.014 0.000 1.186 382 A CA 1.967 54.022 52.037 0.031 0.000 0.620 382 A CB -0.959 18.132 19.000 0.150 0.000 0.822 382 A HN 0.311 nan 8.150 nan 0.000 0.443 383 A N -0.075 122.731 122.820 -0.023 0.000 1.865 383 A HA -0.206 4.119 4.320 0.008 0.000 0.217 383 A C 2.123 179.671 177.584 -0.061 0.000 1.191 383 A CA 1.948 53.993 52.037 0.014 0.000 0.623 383 A CB -0.531 18.526 19.000 0.095 0.000 0.826 383 A HN 0.549 nan 8.150 nan 0.000 0.444 384 K N -0.605 119.636 120.400 -0.264 0.000 2.032 384 K HA -0.117 4.207 4.320 0.008 0.000 0.209 384 K C 1.861 178.266 176.600 -0.325 0.000 1.048 384 K CA 1.725 57.751 56.287 -0.435 0.000 0.927 384 K CB -0.415 31.438 32.500 -1.080 0.000 0.712 384 K HN 0.547 nan 8.250 nan 0.000 0.441 385 I N -0.147 120.154 120.570 -0.448 0.000 2.252 385 I HA -0.218 3.956 4.170 0.008 0.000 0.245 385 I C 1.205 177.012 176.117 -0.518 0.000 1.102 385 I CA 1.189 62.178 61.300 -0.519 0.000 1.385 385 I CB -0.013 37.481 38.000 -0.843 0.000 1.064 385 I HN 0.027 nan 8.210 nan 0.000 0.414 386 F N 0.524 120.401 119.950 -0.122 0.000 2.645 386 F HA 0.219 4.751 4.527 0.007 0.000 0.300 386 F C 0.812 176.550 175.800 -0.103 0.000 1.115 386 F CA -0.323 57.600 58.000 -0.128 0.000 1.355 386 F CB -0.988 37.910 39.000 -0.170 0.000 1.026 386 F HN 0.042 nan 8.300 nan 0.000 0.536 387 N N 0.809 119.532 118.700 0.037 0.000 2.758 387 N HA -0.206 4.538 4.740 0.008 0.000 0.248 387 N C 0.106 175.629 175.510 0.021 0.000 1.076 387 N CA 0.429 53.500 53.050 0.035 0.000 0.696 387 N CB -1.362 37.146 38.487 0.034 0.000 0.979 387 N HN 0.422 nan 8.380 nan 0.000 0.550 388 L N -1.186 120.056 121.223 0.031 0.000 2.766 388 L HA 0.255 4.599 4.340 0.008 0.000 0.242 388 L C 0.473 177.362 176.870 0.032 0.000 1.136 388 L CA -0.304 54.538 54.840 0.003 0.000 0.933 388 L CB 0.079 42.127 42.059 -0.017 0.000 1.241 388 L HN 0.262 nan 8.230 nan 0.000 0.522 389 Y N 2.821 123.079 120.300 -0.071 0.000 2.308 389 Y HA 0.317 4.872 4.550 0.008 0.000 0.329 389 Y C -1.510 174.361 175.900 -0.049 0.000 1.111 389 Y CA -1.889 56.168 58.100 -0.071 0.000 1.179 389 Y CB 1.153 39.551 38.460 -0.102 0.000 1.201 389 Y HN -0.098 nan 8.280 nan 0.000 0.483 390 P HA 0.159 nan 4.420 nan 0.000 0.263 390 P C 0.864 177.929 177.300 -0.392 0.000 1.448 390 P CA 0.133 62.666 63.100 -0.945 0.000 0.983 390 P CB 0.144 31.250 31.700 -0.990 0.000 1.481 391 R N 1.098 121.469 120.500 -0.216 0.000 2.105 391 R HA -0.045 4.300 4.340 0.008 0.000 0.239 391 R C 0.356 176.591 176.300 -0.108 0.000 1.135 391 R CA 1.280 57.300 56.100 -0.135 0.000 0.967 391 R CB 0.133 30.373 30.300 -0.101 0.000 0.861 391 R HN 0.155 nan 8.270 nan 0.000 0.442 392 K N -2.423 117.924 120.400 -0.088 0.000 2.444 392 K HA 0.336 4.660 4.320 0.008 0.000 0.252 392 K C -0.144 176.456 176.600 -0.000 0.000 0.993 392 K CA -0.252 56.008 56.287 -0.047 0.000 0.847 392 K CB 1.962 34.439 32.500 -0.039 0.000 1.340 392 K HN 0.138 nan 8.250 nan 0.000 0.446 393 G N 1.099 109.907 108.800 0.014 0.000 2.162 393 G HA2 -0.293 3.671 3.960 0.008 0.000 0.260 393 G HA3 -0.293 3.671 3.960 0.008 0.000 0.260 393 G C -0.042 174.908 174.900 0.083 0.000 0.976 393 G CA 0.755 45.889 45.100 0.056 0.000 0.655 393 G HN 0.545 nan 8.290 nan 0.000 0.533 394 R N -0.658 119.854 120.500 0.020 0.000 2.566 394 R HA 0.590 4.935 4.340 0.008 0.000 0.271 394 R C -0.885 175.406 176.300 -0.016 0.000 1.071 394 R CA -1.071 55.036 56.100 0.012 0.000 0.915 394 R CB 0.878 31.140 30.300 -0.063 0.000 1.228 394 R HN 0.113 nan 8.270 nan 0.000 0.449 395 I N 4.198 124.777 120.570 0.014 0.000 2.276 395 I HA 0.449 4.624 4.170 0.008 0.000 0.290 395 I C -0.202 175.921 176.117 0.011 0.000 1.109 395 I CA -0.092 61.215 61.300 0.012 0.000 1.229 395 I CB 1.150 39.169 38.000 0.031 0.000 1.452 395 I HN 0.655 nan 8.210 nan 0.000 0.497 396 A N 4.876 127.686 122.820 -0.018 0.000 2.594 396 A HA 0.684 5.009 4.320 0.008 0.000 0.291 396 A C -0.701 176.865 177.584 -0.030 0.000 1.105 396 A CA -0.569 51.455 52.037 -0.021 0.000 0.694 396 A CB 1.389 20.361 19.000 -0.046 0.000 1.291 396 A HN 0.150 nan 8.150 nan 0.000 0.410 397 V N 1.483 121.384 119.914 -0.023 0.000 2.493 397 V HA 0.406 4.530 4.120 0.008 0.000 0.292 397 V C 1.538 177.608 176.094 -0.039 0.000 1.016 397 V CA 2.161 64.446 62.300 -0.024 0.000 1.097 397 V CB -0.082 31.731 31.823 -0.015 0.000 0.947 397 V HN 2.228 nan 8.190 nan 0.000 0.479 398 G N 4.021 112.798 108.800 -0.039 0.000 2.284 398 G HA2 -0.226 3.738 3.960 0.008 0.000 0.216 398 G HA3 -0.226 3.738 3.960 0.008 0.000 0.216 398 G C 0.438 175.301 174.900 -0.060 0.000 1.009 398 G CA 0.068 45.139 45.100 -0.048 0.000 0.625 398 G HN 0.716 nan 8.290 nan 0.000 0.501 399 S N 1.728 117.386 115.700 -0.070 0.000 2.585 399 S HA 0.452 4.927 4.470 0.008 0.000 0.273 399 S C -0.038 174.529 174.600 -0.055 0.000 1.339 399 S CA -0.339 57.812 58.200 -0.081 0.000 1.028 399 S CB 0.951 64.094 63.200 -0.094 0.000 0.906 399 S HN 0.364 nan 8.310 nan 0.000 0.528 400 D N 1.605 121.972 120.400 -0.056 0.000 2.424 400 D HA 0.266 4.911 4.640 0.008 0.000 0.244 400 D C 0.095 176.380 176.300 -0.025 0.000 1.134 400 D CA 0.083 54.059 54.000 -0.039 0.000 0.881 400 D CB 0.556 41.329 40.800 -0.045 0.000 1.191 400 D HN 0.574 nan 8.370 nan 0.000 0.445 401 A N 2.766 125.578 122.820 -0.013 0.000 3.063 401 A HA 0.103 4.427 4.320 0.008 0.000 0.263 401 A C -0.425 177.163 177.584 0.007 0.000 1.736 401 A CA -0.365 51.671 52.037 -0.001 0.000 1.408 401 A CB -0.322 18.680 19.000 0.003 0.000 1.108 401 A HN 0.233 nan 8.150 nan 0.000 0.621 402 D N 1.444 121.846 120.400 0.004 0.000 2.485 402 D HA 0.491 5.135 4.640 0.008 0.000 0.221 402 D C -0.410 175.902 176.300 0.021 0.000 1.112 402 D CA 0.450 54.458 54.000 0.013 0.000 0.911 402 D CB 0.637 41.439 40.800 0.003 0.000 1.019 402 D HN 0.420 nan 8.370 nan 0.000 0.516 403 I N 1.017 121.608 120.570 0.035 0.000 2.608 403 I HA 0.376 4.551 4.170 0.008 0.000 0.295 403 I C -0.543 175.615 176.117 0.068 0.000 1.049 403 I CA -1.078 60.248 61.300 0.044 0.000 1.063 403 I CB 2.624 40.647 38.000 0.039 0.000 1.248 403 I HN -0.141 nan 8.210 nan 0.000 0.424 404 V N 6.486 126.452 119.914 0.087 0.000 2.487 404 V HA 0.432 4.556 4.120 0.008 0.000 0.298 404 V C -0.054 176.133 176.094 0.156 0.000 1.028 404 V CA -0.551 61.834 62.300 0.141 0.000 0.860 404 V CB 1.934 33.877 31.823 0.199 0.000 0.991 404 V HN 0.455 nan 8.190 nan 0.000 0.427 405 I N 4.988 125.641 120.570 0.138 0.000 2.322 405 I HA 0.214 4.388 4.170 0.008 0.000 0.292 405 I C -0.402 175.802 176.117 0.146 0.000 1.060 405 I CA 0.143 61.512 61.300 0.114 0.000 1.309 405 I CB 0.454 38.485 38.000 0.052 0.000 1.415 405 I HN 0.607 nan 8.210 nan 0.000 0.492 406 W N 7.384 128.624 121.300 -0.100 0.000 2.532 406 W HA 0.273 4.938 4.660 0.008 0.000 0.321 406 W C -1.053 175.331 176.519 -0.225 0.000 1.037 406 W CA -0.579 56.650 57.345 -0.193 0.000 1.220 406 W CB 1.810 31.104 29.460 -0.276 0.000 1.361 406 W HN 0.397 nan 8.180 nan 0.000 0.468 407 D N 7.335 127.424 120.400 -0.518 0.000 2.412 407 D HA 0.283 4.928 4.640 0.008 0.000 0.224 407 D C -1.687 174.311 176.300 -0.504 0.000 1.093 407 D CA -2.340 51.435 54.000 -0.375 0.000 0.850 407 D CB 2.044 42.671 40.800 -0.288 0.000 1.046 407 D HN 0.024 nan 8.370 nan 0.000 0.507 408 P HA -0.033 nan 4.420 nan 0.000 0.220 408 P C 1.211 178.577 177.300 0.110 0.000 1.152 408 P CA 0.647 63.705 63.100 -0.070 0.000 0.812 408 P CB 0.415 32.284 31.700 0.282 0.000 0.792 409 K N 0.184 120.623 120.400 0.066 0.000 2.057 409 K HA 0.014 4.339 4.320 0.008 0.000 0.206 409 K C 1.227 177.890 176.600 0.105 0.000 1.050 409 K CA 0.731 57.087 56.287 0.114 0.000 0.935 409 K CB -0.719 31.819 32.500 0.062 0.000 0.715 409 K HN 0.078 nan 8.250 nan 0.000 0.439 410 G N 0.762 109.544 108.800 -0.030 0.000 2.527 410 G HA2 0.139 4.104 3.960 0.008 0.000 0.248 410 G HA3 0.139 4.104 3.960 0.008 0.000 0.248 410 G C -0.151 174.651 174.900 -0.164 0.000 1.231 410 G CA -0.308 44.735 45.100 -0.095 0.000 0.838 410 G HN 0.363 nan 8.290 nan 0.000 0.570 411 T N -1.524 112.900 114.554 -0.217 0.000 2.937 411 T HA 0.779 5.134 4.350 0.008 0.000 0.283 411 T C -0.187 174.373 174.700 -0.233 0.000 1.012 411 T CA -0.978 60.923 62.100 -0.332 0.000 0.997 411 T CB 2.079 70.719 68.868 -0.380 0.000 1.136 411 T HN 0.748 nan 8.240 nan 0.000 0.551 412 R N 0.113 120.484 120.500 -0.214 0.000 2.633 412 R HA 0.352 4.696 4.340 0.008 0.000 0.256 412 R C -1.765 174.474 176.300 -0.101 0.000 1.131 412 R CA -0.447 55.569 56.100 -0.140 0.000 0.994 412 R CB 1.740 31.954 30.300 -0.143 0.000 1.261 412 R HN 0.855 nan 8.270 nan 0.000 0.446 413 T N 5.404 119.917 114.554 -0.068 0.000 2.767 413 T HA 0.419 4.773 4.350 0.008 0.000 0.288 413 T C 0.545 175.235 174.700 -0.016 0.000 0.963 413 T CA -0.433 61.643 62.100 -0.041 0.000 1.019 413 T CB 0.839 69.683 68.868 -0.040 0.000 0.923 413 T HN 0.373 nan 8.240 nan 0.000 0.468 414 I N 2.894 123.471 120.570 0.011 0.000 2.416 414 I HA 0.419 4.594 4.170 0.008 0.000 0.288 414 I C 0.595 176.716 176.117 0.007 0.000 1.051 414 I CA 0.047 61.374 61.300 0.045 0.000 1.375 414 I CB 0.999 39.067 38.000 0.113 0.000 1.407 414 I HN 0.531 nan 8.210 nan 0.000 0.516 415 S N 3.900 119.579 115.700 -0.035 0.000 2.533 415 S HA 0.557 5.032 4.470 0.008 0.000 0.271 415 S C 0.469 174.884 174.600 -0.308 0.000 1.143 415 S CA -0.213 57.906 58.200 -0.135 0.000 0.891 415 S CB 1.734 64.863 63.200 -0.119 0.000 1.105 415 S HN 0.685 nan 8.310 nan 0.000 0.468 416 A N 3.690 126.248 122.820 -0.437 0.000 2.121 416 A HA 0.056 4.381 4.320 0.008 0.000 0.218 416 A C 1.672 178.854 177.584 -0.669 0.000 1.154 416 A CA 1.076 52.612 52.037 -0.834 0.000 0.679 416 A CB -0.321 18.402 19.000 -0.462 0.000 0.795 416 A HN 0.811 nan 8.150 nan 0.000 0.458 417 K N -0.790 119.393 120.400 -0.363 0.000 2.400 417 K HA -0.012 4.313 4.320 0.008 0.000 0.194 417 K C 1.281 177.766 176.600 -0.191 0.000 1.033 417 K CA 1.361 57.517 56.287 -0.218 0.000 1.021 417 K CB 0.136 32.555 32.500 -0.135 0.000 0.808 417 K HN 0.667 nan 8.250 nan 0.000 0.505 418 T N -2.647 111.773 114.554 -0.222 0.000 3.004 418 T HA 0.037 4.391 4.350 0.008 0.000 0.266 418 T C 0.649 175.251 174.700 -0.165 0.000 0.986 418 T CA -0.580 61.428 62.100 -0.155 0.000 0.902 418 T CB -0.343 68.468 68.868 -0.095 0.000 1.118 418 T HN 0.308 nan 8.240 nan 0.000 0.522 419 H N 0.089 119.074 119.070 -0.141 0.000 2.581 419 H HA 0.368 4.929 4.556 0.009 0.000 0.369 419 H C 0.051 175.241 175.328 -0.231 0.000 1.351 419 H CA -0.467 55.505 56.048 -0.127 0.000 1.434 419 H CB 0.575 30.338 29.762 0.003 0.000 1.558 419 H HN 0.161 nan 8.280 nan 0.000 0.608 420 H N -1.275 117.936 119.070 0.236 0.000 2.594 420 H HA 0.135 4.696 4.556 0.008 0.000 0.279 420 H C 0.036 175.364 175.328 -0.000 0.000 1.042 420 H CA -0.330 55.819 56.048 0.169 0.000 1.177 420 H CB 0.411 30.326 29.762 0.255 0.000 1.524 420 H HN 0.494 nan 8.280 nan 0.000 0.537 421 Q N 0.046 119.741 119.800 -0.176 0.000 2.312 421 Q HA 0.388 4.733 4.340 0.008 0.000 0.236 421 Q C 0.865 176.807 176.000 -0.096 0.000 0.965 421 Q CA 0.150 55.787 55.803 -0.276 0.000 0.894 421 Q CB 1.558 29.968 28.738 -0.548 0.000 1.225 421 Q HN 0.368 nan 8.270 nan 0.000 0.478 422 A N 1.842 124.635 122.820 -0.046 0.000 2.067 422 A HA -0.000 4.325 4.320 0.008 0.000 0.217 422 A C 0.900 178.528 177.584 0.074 0.000 1.156 422 A CA 0.167 52.218 52.037 0.024 0.000 0.683 422 A CB 0.126 19.123 19.000 -0.005 0.000 0.808 422 A HN 0.482 nan 8.150 nan 0.000 0.455 423 V N 2.386 122.341 119.914 0.068 0.000 2.637 423 V HA 0.055 4.180 4.120 0.008 0.000 0.296 423 V C 0.805 177.046 176.094 0.245 0.000 1.046 423 V CA 0.127 62.514 62.300 0.145 0.000 1.066 423 V CB 0.557 32.456 31.823 0.127 0.000 0.968 423 V HN 0.707 nan 8.190 nan 0.000 0.483 424 N N 5.918 124.740 118.700 0.203 0.000 2.362 424 N HA 0.069 4.814 4.740 0.008 0.000 0.211 424 N C -0.653 174.929 175.510 0.120 0.000 1.170 424 N CA 0.013 53.152 53.050 0.149 0.000 0.828 424 N CB 0.213 38.776 38.487 0.127 0.000 1.034 424 N HN 0.516 nan 8.380 nan 0.000 0.475 425 F N 0.251 120.148 119.950 -0.088 0.000 2.608 425 F HA 0.424 4.955 4.527 0.005 0.000 0.309 425 F C -1.576 174.145 175.800 -0.132 0.000 1.103 425 F CA -1.039 56.794 58.000 -0.278 0.000 0.954 425 F CB 1.873 40.322 39.000 -0.920 0.000 1.267 425 F HN -0.173 nan 8.300 nan 0.000 0.444 426 N N 5.364 123.720 118.700 -0.573 0.000 2.346 426 N HA 0.311 5.056 4.740 0.008 0.000 0.289 426 N C 0.584 175.783 175.510 -0.518 0.000 1.027 426 N CA -0.443 52.433 53.050 -0.290 0.000 0.864 426 N CB 1.765 40.213 38.487 -0.066 0.000 1.370 426 N HN 0.821 nan 8.380 nan 0.000 0.481 427 I N -0.408 119.887 120.570 -0.459 0.000 3.001 427 I HA 0.101 4.276 4.170 0.008 0.000 0.268 427 I C 0.060 175.836 176.117 -0.569 0.000 1.267 427 I CA 0.863 61.804 61.300 -0.599 0.000 1.472 427 I CB -0.228 37.291 38.000 -0.800 0.000 1.089 427 I HN 0.163 nan 8.210 nan 0.000 0.468 428 F N 1.378 121.291 119.950 -0.062 0.000 2.641 428 F HA 0.345 4.876 4.527 0.007 0.000 0.302 428 F C 0.928 176.702 175.800 -0.044 0.000 1.098 428 F CA -0.971 57.018 58.000 -0.017 0.000 1.318 428 F CB -0.774 38.242 39.000 0.026 0.000 1.035 428 F HN 0.003 nan 8.300 nan 0.000 0.551 429 E N 1.027 121.206 120.200 -0.036 0.000 2.652 429 E HA 0.251 4.606 4.350 0.008 0.000 0.255 429 E C 1.424 178.025 176.600 0.003 0.000 0.952 429 E CA 1.268 57.618 56.400 -0.083 0.000 0.947 429 E CB -0.033 29.517 29.700 -0.249 0.000 0.912 429 E HN 0.533 nan 8.360 nan 0.000 0.489 430 G N 3.820 112.623 108.800 0.006 0.000 2.199 430 G HA2 -0.358 3.607 3.960 0.008 0.000 0.254 430 G HA3 -0.358 3.607 3.960 0.008 0.000 0.254 430 G C 0.425 175.350 174.900 0.042 0.000 0.982 430 G CA 0.207 45.319 45.100 0.021 0.000 0.632 430 G HN 0.609 nan 8.290 nan 0.000 0.529 431 M N 2.195 121.838 119.600 0.073 0.000 2.268 431 M HA 0.457 4.942 4.480 0.008 0.000 0.349 431 M C 0.270 176.588 176.300 0.030 0.000 1.485 431 M CA -0.029 55.318 55.300 0.078 0.000 1.094 431 M CB 0.649 33.326 32.600 0.129 0.000 1.843 431 M HN -0.021 nan 8.290 nan 0.000 0.460 432 V N 6.205 126.123 119.914 0.007 0.000 2.455 432 V HA 0.154 4.278 4.120 0.008 0.000 0.273 432 V C -0.320 175.735 176.094 -0.064 0.000 1.045 432 V CA -0.419 61.850 62.300 -0.051 0.000 0.976 432 V CB 0.516 32.298 31.823 -0.069 0.000 0.993 432 V HN 0.934 nan 8.190 nan 0.000 0.475 433 C N 4.723 123.962 119.300 -0.102 0.000 2.369 433 C HA 0.522 4.986 4.460 0.008 0.000 0.322 433 C C 0.225 175.113 174.990 -0.169 0.000 1.258 433 C CA -0.980 58.002 59.018 -0.060 0.000 1.487 433 C CB 0.474 28.218 27.740 0.006 0.000 2.165 433 C HN 0.913 nan 8.230 nan 0.000 0.483 434 H N 0.376 119.412 119.070 -0.056 0.000 2.615 434 H HA 0.495 5.055 4.556 0.008 0.000 0.363 434 H C 0.814 176.144 175.328 0.003 0.000 1.148 434 H CA 1.856 57.863 56.048 -0.067 0.000 1.401 434 H CB 0.572 30.229 29.762 -0.174 0.000 1.461 434 H HN 1.190 nan 8.280 nan 0.000 0.588 435 G N 1.056 109.713 108.800 -0.239 0.000 3.081 435 G HA2 -0.054 3.910 3.960 0.008 0.000 0.603 435 G HA3 -0.054 3.910 3.960 0.008 0.000 0.603 435 G C -1.213 172.942 174.900 -1.241 0.000 1.106 435 G CA -0.375 44.181 45.100 -0.908 0.000 1.001 435 G HN 0.565 nan 8.290 nan 0.000 0.445 436 V N 4.510 123.613 119.914 -1.352 0.000 2.448 436 V HA 0.676 4.801 4.120 0.008 0.000 0.295 436 V C -1.778 173.709 176.094 -1.012 0.000 1.025 436 V CA -1.819 59.913 62.300 -0.947 0.000 0.859 436 V CB 2.327 33.860 31.823 -0.484 0.000 0.988 436 V HN 0.604 nan 8.190 nan 0.000 0.431 437 P HA 0.301 nan 4.420 nan 0.000 0.279 437 P C 0.517 177.790 177.300 -0.044 0.000 1.318 437 P CA -0.098 62.886 63.100 -0.194 0.000 0.819 437 P CB 0.999 32.743 31.700 0.073 0.000 0.927 438 L N 2.910 124.090 121.223 -0.071 0.000 2.095 438 L HA 0.101 4.446 4.340 0.008 0.000 0.204 438 L C 0.846 177.702 176.870 -0.023 0.000 1.080 438 L CA 0.938 55.740 54.840 -0.063 0.000 0.759 438 L CB -0.149 41.856 42.059 -0.091 0.000 0.914 438 L HN 0.099 nan 8.230 nan 0.000 0.439 439 V N -0.413 119.522 119.914 0.036 0.000 2.623 439 V HA 0.306 4.431 4.120 0.008 0.000 0.304 439 V C -0.617 175.548 176.094 0.119 0.000 1.054 439 V CA -0.479 61.850 62.300 0.048 0.000 0.882 439 V CB 1.903 33.732 31.823 0.011 0.000 1.002 439 V HN 0.046 nan 8.190 nan 0.000 0.424 440 T N 6.212 120.864 114.554 0.162 0.000 2.770 440 T HA 0.669 5.023 4.350 0.008 0.000 0.283 440 T C -0.327 174.438 174.700 0.109 0.000 0.988 440 T CA -0.125 62.064 62.100 0.149 0.000 0.957 440 T CB 0.946 69.913 68.868 0.166 0.000 0.930 440 T HN 0.393 nan 8.240 nan 0.000 0.443 441 I N 2.633 123.252 120.570 0.082 0.000 2.362 441 I HA 0.439 4.614 4.170 0.008 0.000 0.289 441 I C 0.228 176.378 176.117 0.056 0.000 0.994 441 I CA -0.462 60.875 61.300 0.062 0.000 1.158 441 I CB 1.619 39.646 38.000 0.045 0.000 1.315 441 I HN 0.486 nan 8.210 nan 0.000 0.451 442 S N 6.094 121.828 115.700 0.056 0.000 2.519 442 S HA 0.492 4.966 4.470 0.008 0.000 0.309 442 S C 0.178 174.800 174.600 0.038 0.000 1.100 442 S CA -0.568 57.661 58.200 0.047 0.000 1.059 442 S CB 0.518 63.753 63.200 0.059 0.000 1.008 442 S HN 0.696 nan 8.310 nan 0.000 0.478 443 R N 3.046 123.561 120.500 0.024 0.000 3.416 443 R HA -0.203 4.142 4.340 0.008 0.000 0.263 443 R C 1.068 177.378 176.300 0.017 0.000 1.053 443 R CA 0.728 56.838 56.100 0.016 0.000 0.705 443 R CB -2.159 28.153 30.300 0.020 0.000 1.124 443 R HN 1.452 nan 8.270 nan 0.000 0.444 444 G N -0.502 108.308 108.800 0.017 0.000 2.168 444 G HA2 -0.380 3.585 3.960 0.008 0.000 0.263 444 G HA3 -0.380 3.585 3.960 0.008 0.000 0.263 444 G C -0.052 174.860 174.900 0.021 0.000 0.977 444 G CA 0.973 46.083 45.100 0.016 0.000 0.659 444 G HN 0.402 nan 8.290 nan 0.000 0.533 445 K N -0.019 120.398 120.400 0.029 0.000 2.345 445 K HA 0.571 4.896 4.320 0.008 0.000 0.255 445 K C 0.160 176.786 176.600 0.043 0.000 0.934 445 K CA -0.968 55.339 56.287 0.033 0.000 0.801 445 K CB 2.885 35.407 32.500 0.036 0.000 1.137 445 K HN 0.027 nan 8.250 nan 0.000 0.424 446 V N 4.034 123.970 119.914 0.037 0.000 2.450 446 V HA -0.044 4.080 4.120 0.008 0.000 0.281 446 V C 1.109 177.239 176.094 0.059 0.000 1.019 446 V CA 0.178 62.502 62.300 0.040 0.000 1.062 446 V CB 0.367 32.199 31.823 0.015 0.000 0.979 446 V HN 0.765 nan 8.190 nan 0.000 0.477 447 V N 2.176 122.147 119.914 0.095 0.000 3.612 447 V HA 0.409 4.533 4.120 0.008 0.000 0.268 447 V C 0.042 176.269 176.094 0.222 0.000 1.365 447 V CA 0.096 62.486 62.300 0.151 0.000 1.044 447 V CB -0.272 31.646 31.823 0.158 0.000 0.820 447 V HN 0.630 nan 8.190 nan 0.000 0.444 448 Y N 0.988 121.281 120.300 -0.011 0.000 2.396 448 Y HA 0.716 5.270 4.550 0.007 0.000 0.332 448 Y C -0.905 174.910 175.900 -0.142 0.000 1.034 448 Y CA -0.931 57.080 58.100 -0.148 0.000 1.057 448 Y CB 1.930 40.281 38.460 -0.181 0.000 1.220 448 Y HN 0.308 nan 8.280 nan 0.000 0.440 449 E N 4.962 124.714 120.200 -0.746 0.000 2.317 449 E HA 0.556 4.910 4.350 0.008 0.000 0.270 449 E C -0.698 175.513 176.600 -0.650 0.000 0.899 449 E CA -0.037 56.041 56.400 -0.538 0.000 0.814 449 E CB 1.166 30.711 29.700 -0.257 0.000 1.296 449 E HN 1.078 nan 8.360 nan 0.000 0.404 450 A N 3.333 125.792 122.820 -0.602 0.000 2.687 450 A HA -0.152 4.173 4.320 0.008 0.000 0.299 450 A C 1.208 178.533 177.584 -0.431 0.000 1.497 450 A CA 1.692 53.489 52.037 -0.400 0.000 0.751 450 A CB -2.307 16.553 19.000 -0.233 0.000 1.048 450 A HN 1.764 nan 8.150 nan 0.000 0.464 451 G N -3.604 104.769 108.800 -0.712 0.000 2.225 451 G HA2 -0.010 3.955 3.960 0.008 0.000 0.254 451 G HA3 -0.010 3.955 3.960 0.008 0.000 0.254 451 G C 0.353 174.977 174.900 -0.460 0.000 0.988 451 G CA 0.416 45.303 45.100 -0.355 0.000 0.625 451 G HN 1.895 nan 8.290 nan 0.000 0.527 452 V N 1.429 120.965 119.914 -0.630 0.000 2.435 452 V HA 0.703 4.828 4.120 0.008 0.000 0.290 452 V C 0.145 175.973 176.094 -0.443 0.000 1.030 452 V CA -0.809 61.265 62.300 -0.377 0.000 0.881 452 V CB 1.305 33.004 31.823 -0.207 0.000 0.983 452 V HN 0.210 nan 8.190 nan 0.000 0.445 453 F N 1.870 121.823 119.950 0.005 0.000 2.385 453 F HA 0.411 4.942 4.527 0.007 0.000 0.336 453 F C 1.062 176.879 175.800 0.029 0.000 1.100 453 F CA -0.041 57.992 58.000 0.055 0.000 1.116 453 F CB 1.696 40.747 39.000 0.085 0.000 1.166 453 F HN 0.399 nan 8.300 nan 0.000 0.511 454 S N 1.975 117.810 115.700 0.225 0.000 2.422 454 S HA 0.427 4.902 4.470 0.008 0.000 0.226 454 S C -0.679 174.004 174.600 0.139 0.000 1.242 454 S CA -0.494 57.788 58.200 0.137 0.000 1.231 454 S CB 0.002 63.245 63.200 0.073 0.000 1.067 454 S HN 0.296 nan 8.310 nan 0.000 0.462 455 V N 0.591 120.604 119.914 0.164 0.000 3.001 455 V HA 0.836 4.961 4.120 0.008 0.000 0.314 455 V C 0.077 176.233 176.094 0.103 0.000 1.099 455 V CA -0.979 61.393 62.300 0.119 0.000 0.989 455 V CB 1.850 33.736 31.823 0.104 0.000 1.040 455 V HN 0.466 nan 8.190 nan 0.000 0.434 456 T N -0.676 113.934 114.554 0.093 0.000 2.916 456 T HA 0.826 5.181 4.350 0.008 0.000 0.292 456 T C -0.099 174.671 174.700 0.117 0.000 1.055 456 T CA -0.359 61.800 62.100 0.098 0.000 1.009 456 T CB 1.780 70.687 68.868 0.064 0.000 1.118 456 T HN 1.399 nan 8.240 nan 0.000 0.497 457 A N 0.319 123.213 122.820 0.124 0.000 2.520 457 A HA 0.561 4.886 4.320 0.008 0.000 0.245 457 A C 1.595 179.227 177.584 0.080 0.000 1.072 457 A CA 0.388 52.509 52.037 0.140 0.000 0.761 457 A CB -1.294 17.704 19.000 -0.004 0.000 1.004 457 A HN 2.388 nan 8.150 nan 0.000 0.499 458 G N 2.212 111.066 108.800 0.090 0.000 2.175 458 G HA2 -0.235 3.730 3.960 0.008 0.000 0.244 458 G HA3 -0.235 3.730 3.960 0.008 0.000 0.244 458 G C 0.528 175.470 174.900 0.070 0.000 0.982 458 G CA 0.691 45.831 45.100 0.067 0.000 0.641 458 G HN 0.676 nan 8.290 nan 0.000 0.527 459 D N 0.863 121.307 120.400 0.074 0.000 2.117 459 D HA 0.075 4.720 4.640 0.008 0.000 0.197 459 D C 2.038 178.382 176.300 0.073 0.000 0.987 459 D CA 1.476 55.516 54.000 0.066 0.000 0.829 459 D CB -0.615 40.225 40.800 0.066 0.000 0.961 459 D HN 0.717 nan 8.370 nan 0.000 0.460 460 G N 0.027 108.880 108.800 0.089 0.000 2.544 460 G HA2 0.275 4.240 3.960 0.008 0.000 0.242 460 G HA3 0.275 4.240 3.960 0.008 0.000 0.242 460 G C -0.151 174.839 174.900 0.150 0.000 1.247 460 G CA -0.081 45.088 45.100 0.114 0.000 0.840 460 G HN -0.064 nan 8.290 nan 0.000 0.578 461 K N -0.074 120.413 120.400 0.145 0.000 2.426 461 K HA 0.465 4.790 4.320 0.008 0.000 0.251 461 K C -1.000 175.626 176.600 0.044 0.000 0.941 461 K CA -0.923 55.438 56.287 0.125 0.000 0.808 461 K CB 1.601 34.131 32.500 0.050 0.000 1.265 461 K HN 0.334 nan 8.250 nan 0.000 0.432 462 F N 5.121 124.950 119.950 -0.202 0.000 2.504 462 F HA 0.334 4.865 4.527 0.007 0.000 0.369 462 F C -0.114 175.478 175.800 -0.346 0.000 1.082 462 F CA -0.319 57.303 58.000 -0.630 0.000 1.216 462 F CB 0.258 38.864 39.000 -0.657 0.000 1.108 462 F HN 0.453 nan 8.300 nan 0.000 0.554 463 I N 8.360 128.259 120.570 -1.119 0.000 2.389 463 I HA 0.580 4.755 4.170 0.008 0.000 0.288 463 I C -2.687 172.777 176.117 -1.087 0.000 0.999 463 I CA -2.560 58.257 61.300 -0.804 0.000 1.129 463 I CB 1.658 39.402 38.000 -0.427 0.000 1.288 463 I HN 0.356 nan 8.210 nan 0.000 0.444 464 P HA 0.351 nan 4.420 nan 0.000 0.277 464 P C -1.276 175.865 177.300 -0.265 0.000 1.240 464 P CA -0.385 62.479 63.100 -0.393 0.000 0.798 464 P CB 0.869 32.532 31.700 -0.062 0.000 0.979 465 R N 0.969 121.359 120.500 -0.184 0.000 2.599 465 R HA 0.429 4.774 4.340 0.008 0.000 0.295 465 R C 0.093 176.349 176.300 -0.073 0.000 0.963 465 R CA -0.795 55.227 56.100 -0.129 0.000 0.883 465 R CB 2.080 32.298 30.300 -0.136 0.000 1.171 465 R HN 0.365 nan 8.270 nan 0.000 0.450 466 K N 3.372 123.746 120.400 -0.044 0.000 2.118 466 K HA 0.332 4.657 4.320 0.008 0.000 0.267 466 K C -2.082 174.510 176.600 -0.013 0.000 0.991 466 K CA -1.778 54.499 56.287 -0.017 0.000 0.916 466 K CB 0.878 33.380 32.500 0.003 0.000 1.041 466 K HN 0.328 nan 8.250 nan 0.000 0.455 467 P HA -0.027 nan 4.420 nan 0.000 0.274 467 P C -0.418 176.862 177.300 -0.033 0.000 1.264 467 P CA -0.149 62.884 63.100 -0.112 0.000 0.795 467 P CB 0.136 31.747 31.700 -0.147 0.000 1.064 468 F N -3.317 116.479 119.950 -0.258 0.000 2.866 468 F HA -0.206 4.326 4.527 0.008 0.000 0.254 468 F C 0.858 176.643 175.800 -0.024 0.000 1.009 468 F CA 0.288 58.093 58.000 -0.326 0.000 0.907 468 F CB -2.161 36.666 39.000 -0.289 0.000 0.859 468 F HN 0.289 nan 8.300 nan 0.000 0.842 469 A N 1.094 124.030 122.820 0.194 0.000 2.515 469 A HA 0.119 4.444 4.320 0.008 0.000 0.263 469 A C 1.501 179.231 177.584 0.243 0.000 1.096 469 A CA 0.081 52.231 52.037 0.188 0.000 0.769 469 A CB 0.135 19.213 19.000 0.130 0.000 1.040 469 A HN 0.695 nan 8.150 nan 0.000 0.505 470 E N 1.604 121.919 120.200 0.192 0.000 2.147 470 E HA -0.284 4.071 4.350 0.008 0.000 0.199 470 E C 1.180 177.874 176.600 0.157 0.000 1.005 470 E CA 1.916 58.419 56.400 0.171 0.000 0.810 470 E CB -0.260 29.517 29.700 0.128 0.000 0.736 470 E HN 0.969 nan 8.360 nan 0.000 0.460 471 Y N 1.392 121.703 120.300 0.020 0.000 2.256 471 Y HA -0.207 4.347 4.550 0.008 0.000 0.288 471 Y C 1.995 177.882 175.900 -0.021 0.000 1.155 471 Y CA 1.858 59.936 58.100 -0.037 0.000 1.203 471 Y CB 0.038 38.421 38.460 -0.128 0.000 0.980 471 Y HN 0.122 nan 8.280 nan 0.000 0.530 472 I N -5.126 115.438 120.570 -0.011 0.000 4.032 472 I HA 0.067 4.241 4.170 0.008 0.000 0.313 472 I C 1.274 177.324 176.117 -0.112 0.000 1.272 472 I CA 0.363 61.606 61.300 -0.095 0.000 1.307 472 I CB -0.531 37.418 38.000 -0.085 0.000 1.155 472 I HN -0.088 nan 8.210 nan 0.000 0.431 473 Y N 1.781 122.105 120.300 0.039 0.000 2.503 473 Y HA 0.245 4.800 4.550 0.008 0.000 0.277 473 Y C 2.383 178.325 175.900 0.071 0.000 1.102 473 Y CA 0.562 58.716 58.100 0.089 0.000 1.261 473 Y CB 0.245 38.829 38.460 0.207 0.000 1.096 473 Y HN -0.062 nan 8.280 nan 0.000 0.546 474 K N 0.561 121.062 120.400 0.168 0.000 2.103 474 K HA -0.210 4.115 4.320 0.008 0.000 0.207 474 K C 2.012 178.640 176.600 0.046 0.000 1.048 474 K CA 1.787 58.131 56.287 0.095 0.000 0.930 474 K CB -0.124 32.411 32.500 0.059 0.000 0.716 474 K HN 0.416 nan 8.250 nan 0.000 0.444 475 R N 0.307 120.809 120.500 0.003 0.000 2.246 475 R HA 0.063 4.408 4.340 0.008 0.000 0.199 475 R C 1.811 178.095 176.300 -0.026 0.000 0.984 475 R CA 0.381 56.466 56.100 -0.025 0.000 1.015 475 R CB -0.016 30.247 30.300 -0.062 0.000 0.930 475 R HN 0.007 nan 8.270 nan 0.000 0.475 476 I N 1.763 122.319 120.570 -0.023 0.000 2.286 476 I HA -0.132 4.042 4.170 0.008 0.000 0.245 476 I C 1.907 178.063 176.117 0.065 0.000 1.104 476 I CA 1.212 62.500 61.300 -0.020 0.000 1.397 476 I CB -0.612 37.314 38.000 -0.123 0.000 1.072 476 I HN 0.193 nan 8.210 nan 0.000 0.417 477 K N 0.398 120.871 120.400 0.122 0.000 2.148 477 K HA -0.155 4.170 4.320 0.008 0.000 0.204 477 K C 1.985 178.615 176.600 0.051 0.000 1.050 477 K CA 0.847 57.200 56.287 0.109 0.000 0.942 477 K CB -0.111 32.452 32.500 0.105 0.000 0.724 477 K HN 0.332 nan 8.250 nan 0.000 0.446 478 Q N 0.687 120.506 119.800 0.032 0.000 2.167 478 Q HA -0.056 4.288 4.340 0.008 0.000 0.202 478 Q C 2.017 178.022 176.000 0.009 0.000 0.970 478 Q CA 1.112 56.923 55.803 0.013 0.000 0.855 478 Q CB -0.026 28.714 28.738 0.003 0.000 0.911 478 Q HN 0.287 nan 8.270 nan 0.000 0.438 479 R N 0.362 120.866 120.500 0.008 0.000 2.115 479 R HA -0.098 4.247 4.340 0.008 0.000 0.230 479 R C 1.658 177.965 176.300 0.012 0.000 1.111 479 R CA 1.102 57.203 56.100 0.002 0.000 0.976 479 R CB 0.017 30.311 30.300 -0.011 0.000 0.870 479 R HN 0.236 nan 8.270 nan 0.000 0.445 480 D N 0.517 120.931 120.400 0.025 0.000 2.104 480 D HA -0.158 4.487 4.640 0.008 0.000 0.194 480 D C 1.917 178.229 176.300 0.021 0.000 0.994 480 D CA 1.319 55.337 54.000 0.030 0.000 0.830 480 D CB -0.105 40.722 40.800 0.045 0.000 0.959 480 D HN 0.180 nan 8.370 nan 0.000 0.452 481 R N -0.305 120.205 120.500 0.017 0.000 2.092 481 R HA -0.040 4.304 4.340 0.008 0.000 0.231 481 R C 2.035 178.340 176.300 0.007 0.000 1.119 481 R CA 1.743 57.849 56.100 0.010 0.000 0.970 481 R CB -0.028 30.276 30.300 0.007 0.000 0.864 481 R HN 0.297 nan 8.270 nan 0.000 0.440 482 T N -4.838 109.719 114.554 0.006 0.000 2.975 482 T HA 0.123 4.478 4.350 0.008 0.000 0.261 482 T C 1.422 176.123 174.700 0.002 0.000 0.984 482 T CA -0.258 61.844 62.100 0.002 0.000 0.911 482 T CB 0.141 69.008 68.868 -0.001 0.000 1.127 482 T HN 0.143 nan 8.240 nan 0.000 0.514 483 C N 2.521 121.823 119.300 0.003 0.000 2.906 483 C HA 0.344 4.809 4.460 0.008 0.000 0.274 483 C C 1.018 176.012 174.990 0.008 0.000 1.257 483 C CA -0.448 58.571 59.018 0.002 0.000 1.695 483 C CB -1.247 26.491 27.740 -0.002 0.000 1.958 483 C HN 0.466 nan 8.230 nan 0.000 0.619 484 T N 3.950 118.510 114.554 0.011 0.000 2.779 484 T HA 0.238 4.593 4.350 0.008 0.000 0.296 484 T C -2.022 172.685 174.700 0.013 0.000 0.938 484 T CA -0.070 62.039 62.100 0.015 0.000 1.119 484 T CB 0.457 69.336 68.868 0.018 0.000 0.891 484 T HN 0.274 nan 8.240 nan 0.000 0.526 485 P HA 0.309 nan 4.420 nan 0.000 0.272 485 P C -0.361 176.947 177.300 0.013 0.000 1.230 485 P CA -0.510 62.597 63.100 0.012 0.000 0.788 485 P CB 0.438 32.147 31.700 0.014 0.000 0.949 486 T N -1.560 113.000 114.554 0.011 0.000 2.893 486 T HA 0.654 5.009 4.350 0.008 0.000 0.291 486 T C -2.502 172.204 174.700 0.010 0.000 1.028 486 T CA -1.840 60.266 62.100 0.011 0.000 0.995 486 T CB 0.240 69.113 68.868 0.009 0.000 1.051 486 T HN 0.123 nan 8.240 nan 0.000 0.470 487 P HA 0.358 nan 4.420 nan 0.000 0.269 487 P C -0.899 176.407 177.300 0.010 0.000 1.215 487 P CA -0.655 62.451 63.100 0.011 0.000 0.780 487 P CB 0.298 32.005 31.700 0.012 0.000 0.898 488 V N 2.534 122.454 119.914 0.010 0.000 2.385 488 V HA 0.066 4.190 4.120 0.008 0.000 0.269 488 V C 0.750 176.851 176.094 0.012 0.000 1.043 488 V CA -0.557 61.749 62.300 0.010 0.000 0.906 488 V CB 0.073 31.902 31.823 0.009 0.000 0.995 488 V HN 0.644 nan 8.190 nan 0.000 0.467 489 E N 6.328 126.535 120.200 0.012 0.000 2.383 489 E HA 0.289 4.643 4.350 0.008 0.000 0.257 489 E C -0.290 176.319 176.600 0.015 0.000 1.079 489 E CA -0.110 56.298 56.400 0.013 0.000 0.934 489 E CB 0.570 30.276 29.700 0.011 0.000 0.978 489 E HN 0.559 nan 8.360 nan 0.000 0.462 490 R N 1.847 122.358 120.500 0.019 0.000 2.837 490 R HA 0.562 4.907 4.340 0.008 0.000 0.271 490 R C -0.903 175.413 176.300 0.028 0.000 0.993 490 R CA -1.094 55.021 56.100 0.025 0.000 0.931 490 R CB 2.150 32.468 30.300 0.030 0.000 1.206 490 R HN 0.670 nan 8.270 nan 0.000 0.474 491 A N 2.735 125.574 122.820 0.031 0.000 2.388 491 A HA 0.371 4.696 4.320 0.008 0.000 0.257 491 A C -1.825 175.787 177.584 0.047 0.000 1.095 491 A CA -1.096 50.958 52.037 0.030 0.000 0.791 491 A CB -0.331 18.681 19.000 0.022 0.000 1.029 491 A HN 0.443 nan 8.150 nan 0.000 0.489 492 P HA 0.051 nan 4.420 nan 0.000 0.267 492 P C -0.375 176.975 177.300 0.083 0.000 1.205 492 P CA 0.128 63.266 63.100 0.064 0.000 0.765 492 P CB 0.212 31.936 31.700 0.040 0.000 0.828 493 Y N 0.000 120.302 120.300 0.003 0.000 2.660 493 Y HA 0.000 4.555 4.550 0.008 0.000 0.201 493 Y CA 0.000 58.102 58.100 0.002 0.000 1.940 493 Y CB 0.000 38.462 38.460 0.003 0.000 1.050 493 Y HN 0.000 nan 8.280 nan 0.000 0.758