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 3hqq_1_I DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIH ADHKVKGYAN QTRILLVE 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.595 174.600 -0.009 0.000 1.055 1 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 1 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 2 Q N 0.605 120.383 119.800 -0.036 0.000 2.224 2 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 2 Q C 1.607 177.615 176.000 0.013 0.000 0.970 2 Q CA 1.783 57.564 55.803 -0.036 0.000 0.865 2 Q CB -0.370 28.319 28.738 -0.081 0.000 0.922 2 Q HN 0.720 nan 8.270 nan 0.000 0.445 3 L N -0.567 120.656 121.223 -0.000 0.000 1.994 3 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 3 L C 2.140 179.018 176.870 0.014 0.000 1.071 3 L CA 1.407 56.246 54.840 -0.001 0.000 0.745 3 L CB -0.649 41.404 42.059 -0.010 0.000 0.892 3 L HN 0.413 nan 8.230 nan 0.000 0.431 4 A N -0.920 121.917 122.820 0.029 0.000 1.877 4 A HA -0.337 3.983 4.320 -0.000 0.000 0.216 4 A C 2.023 179.628 177.584 0.035 0.000 1.186 4 A CA 1.972 54.025 52.037 0.026 0.000 0.620 4 A CB -1.042 17.978 19.000 0.033 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.453 119.507 119.070 -0.027 0.000 2.390 5 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 5 H C 1.895 177.200 175.328 -0.038 0.000 1.106 5 H CA 2.063 58.095 56.048 -0.026 0.000 1.297 5 H CB -0.089 29.658 29.762 -0.025 0.000 1.375 5 H HN 0.420 nan 8.280 nan 0.000 0.509 6 N N 0.173 118.862 118.700 -0.018 0.000 2.272 6 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 6 N C 1.851 177.285 175.510 -0.125 0.000 1.014 6 N CA 1.100 54.099 53.050 -0.085 0.000 0.870 6 N CB -0.158 38.304 38.487 -0.043 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.324 121.487 121.223 -0.100 0.000 2.217 7 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 7 L C 2.184 178.987 176.870 -0.112 0.000 1.107 7 L CA 1.218 56.006 54.840 -0.086 0.000 0.783 7 L CB -0.580 41.448 42.059 -0.052 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.477 111.978 114.554 -0.164 0.000 3.100 8 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 8 T C 0.772 175.357 174.700 -0.192 0.000 1.118 8 T CA -0.171 61.828 62.100 -0.168 0.000 1.058 8 T CB -0.313 68.445 68.868 -0.182 0.000 0.953 8 T HN 0.041 nan 8.240 nan 0.000 0.515 9 L N 1.847 122.937 121.223 -0.223 0.000 2.452 9 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 9 L C 0.496 177.279 176.870 -0.146 0.000 1.188 9 L CA -0.544 54.191 54.840 -0.174 0.000 0.821 9 L CB 0.917 42.884 42.059 -0.153 0.000 1.102 9 L HN 0.151 nan 8.230 nan 0.000 0.470 10 S N 0.989 116.607 115.700 -0.135 0.000 2.541 10 S HA 0.383 4.853 4.470 -0.000 0.000 0.280 10 S C 0.710 175.189 174.600 -0.202 0.000 1.112 10 S CA -0.898 57.173 58.200 -0.215 0.000 0.925 10 S CB 1.426 64.492 63.200 -0.224 0.000 1.067 10 S HN 0.612 nan 8.310 nan 0.000 0.479 11 I N 1.540 121.907 120.570 -0.338 0.000 2.454 11 I HA 0.018 4.188 4.170 -0.000 0.000 0.254 11 I C 0.817 176.989 176.117 0.092 0.000 1.156 11 I CA 1.507 62.717 61.300 -0.151 0.000 1.433 11 I CB -0.431 37.509 38.000 -0.100 0.000 1.082 11 I HN 0.636 nan 8.210 nan 0.000 0.432 12 F N 1.704 121.659 119.950 0.008 0.000 2.773 12 F HA 0.210 4.737 4.527 -0.000 0.000 0.304 12 F C 0.250 176.055 175.800 0.008 0.000 1.129 12 F CA -1.112 56.892 58.000 0.007 0.000 1.378 12 F CB -0.392 38.611 39.000 0.004 0.000 1.095 12 F HN 0.028 nan 8.300 nan 0.000 0.565 13 D N 3.464 123.937 120.400 0.122 0.000 2.424 13 D HA 0.088 4.728 4.640 -0.000 0.000 0.244 13 D C -1.927 174.423 176.300 0.084 0.000 1.134 13 D CA -1.251 52.797 54.000 0.080 0.000 0.881 13 D CB 0.415 41.238 40.800 0.038 0.000 1.191 13 D HN 0.046 nan 8.370 nan 0.000 0.445 14 P HA 0.046 nan 4.420 nan 0.000 0.275 14 P C -0.012 177.317 177.300 0.047 0.000 1.227 14 P CA -0.535 62.599 63.100 0.058 0.000 0.781 14 P CB 0.809 32.540 31.700 0.052 0.000 0.906 15 V N 0.628 120.564 119.914 0.037 0.000 3.385 15 V HA 0.643 4.763 4.120 -0.000 0.000 0.301 15 V C 0.452 176.557 176.094 0.019 0.000 1.082 15 V CA -0.710 61.603 62.300 0.021 0.000 1.085 15 V CB -0.178 31.649 31.823 0.007 0.000 1.152 15 V HN 0.755 nan 8.190 nan 0.000 0.465 16 A N 1.720 124.532 122.820 -0.012 0.000 2.346 16 A HA 0.304 4.624 4.320 -0.000 0.000 0.252 16 A C 1.119 178.731 177.584 0.046 0.000 1.089 16 A CA 0.036 52.070 52.037 -0.005 0.000 0.797 16 A CB -0.322 18.591 19.000 -0.146 0.000 1.047 16 A HN 1.128 nan 8.150 nan 0.000 0.494 17 N N -0.924 117.865 118.700 0.149 0.000 2.461 17 N HA 0.080 4.819 4.740 -0.000 0.000 0.188 17 N C -0.340 175.364 175.510 0.324 0.000 1.134 17 N CA 0.331 53.511 53.050 0.217 0.000 0.878 17 N CB -0.041 38.595 38.487 0.249 0.000 0.972 17 N HN 0.740 nan 8.380 nan 0.000 0.456 18 Y N -1.307 119.027 120.300 0.056 0.000 2.534 18 Y HA 0.498 5.048 4.550 -0.000 0.000 0.345 18 Y C -1.099 174.814 175.900 0.021 0.000 1.031 18 Y CA -1.626 56.498 58.100 0.040 0.000 1.022 18 Y CB 1.249 39.651 38.460 -0.097 0.000 1.292 18 Y HN -0.227 nan 8.280 nan 0.000 0.459 19 R N 2.773 123.269 120.500 -0.007 0.000 2.265 19 R HA 0.681 5.021 4.340 -0.000 0.000 0.328 19 R C 0.167 176.463 176.300 -0.006 0.000 0.969 19 R CA 0.231 56.275 56.100 -0.093 0.000 0.832 19 R CB 1.433 31.725 30.300 -0.014 0.000 1.139 19 R HN 1.071 nan 8.270 nan 0.000 0.457 20 A N 4.407 127.171 122.820 -0.093 0.000 1.873 20 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 20 A C 0.988 178.594 177.584 0.036 0.000 1.186 20 A CA 1.267 53.328 52.037 0.041 0.000 0.616 20 A CB -0.339 18.670 19.000 0.016 0.000 0.823 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.201 123.022 122.820 0.002 0.000 2.386 21 A HA 0.530 4.850 4.320 -0.000 0.000 0.248 21 A C 0.297 177.896 177.584 0.025 0.000 1.082 21 A CA -0.368 51.674 52.037 0.008 0.000 0.789 21 A CB 0.207 19.201 19.000 -0.011 0.000 1.025 21 A HN 0.412 nan 8.150 nan 0.000 0.490 22 R N 0.742 121.261 120.500 0.031 0.000 2.589 22 R HA 0.581 4.920 4.340 -0.000 0.000 0.293 22 R C -1.153 175.172 176.300 0.042 0.000 0.963 22 R CA -0.445 55.681 56.100 0.044 0.000 0.905 22 R CB 1.343 31.675 30.300 0.052 0.000 1.144 22 R HN 0.675 nan 8.270 nan 0.000 0.459 23 I N 3.440 124.040 120.570 0.050 0.000 2.377 23 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 23 I C 0.151 176.308 176.117 0.067 0.000 0.987 23 I CA -0.585 60.746 61.300 0.051 0.000 1.185 23 I CB 1.492 39.521 38.000 0.048 0.000 1.341 23 I HN 0.296 nan 8.210 nan 0.000 0.455 24 I N 5.057 125.672 120.570 0.075 0.000 2.404 24 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 24 I C -0.823 175.352 176.117 0.097 0.000 0.992 24 I CA -0.473 60.890 61.300 0.105 0.000 1.149 24 I CB 1.692 39.777 38.000 0.142 0.000 1.315 24 I HN 0.515 nan 8.210 nan 0.000 0.446 25 C N 3.433 122.793 119.300 0.101 0.000 2.408 25 C HA 0.494 4.954 4.460 -0.000 0.000 0.321 25 C C 0.455 175.509 174.990 0.106 0.000 1.245 25 C CA -0.578 58.494 59.018 0.090 0.000 1.523 25 C CB 1.489 29.272 27.740 0.072 0.000 2.178 25 C HN 0.697 nan 8.230 nan 0.000 0.488 26 T N 4.583 119.201 114.554 0.107 0.000 2.817 26 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 26 T C 0.038 174.805 174.700 0.112 0.000 0.964 26 T CA -0.162 62.013 62.100 0.124 0.000 1.085 26 T CB 0.286 69.228 68.868 0.123 0.000 0.921 26 T HN 0.382 nan 8.240 nan 0.000 0.502 27 I N 3.422 124.075 120.570 0.139 0.000 2.312 27 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 27 I C 0.840 177.066 176.117 0.182 0.000 1.008 27 I CA -0.233 61.148 61.300 0.134 0.000 1.226 27 I CB 0.497 38.569 38.000 0.121 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.972 115.858 108.800 0.142 0.000 3.222 28 G HA2 0.548 4.508 3.960 -0.000 0.000 0.263 28 G HA3 0.548 4.508 3.960 -0.000 0.000 0.263 28 G C -2.409 172.580 174.900 0.149 0.000 1.312 28 G CA -0.622 44.571 45.100 0.154 0.000 0.934 28 G HN 0.251 nan 8.290 nan 0.000 0.577 29 P HA -0.014 nan 4.420 nan 0.000 0.217 29 P C 2.056 179.386 177.300 0.050 0.000 1.150 29 P CA 1.549 64.705 63.100 0.093 0.000 0.832 29 P CB 0.153 31.874 31.700 0.035 0.000 0.787 30 S N -1.155 114.562 115.700 0.028 0.000 2.419 30 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 30 S C 1.451 176.063 174.600 0.019 0.000 1.016 30 S CA 1.867 60.074 58.200 0.011 0.000 0.974 30 S CB -0.922 62.275 63.200 -0.005 0.000 0.786 30 S HN 0.375 nan 8.310 nan 0.000 0.492 31 T N -1.633 112.942 114.554 0.035 0.000 3.091 31 T HA 0.300 4.650 4.350 -0.000 0.000 0.277 31 T C 1.106 175.822 174.700 0.026 0.000 0.996 31 T CA -0.359 61.760 62.100 0.032 0.000 0.897 31 T CB 0.230 69.122 68.868 0.040 0.000 1.109 31 T HN 0.177 nan 8.240 nan 0.000 0.534 32 Q N 2.242 122.054 119.800 0.020 0.000 2.167 32 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 32 Q C 1.177 177.159 176.000 -0.031 0.000 0.970 32 Q CA 0.802 56.592 55.803 -0.022 0.000 0.855 32 Q CB 0.020 28.715 28.738 -0.071 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.076 114.615 115.700 -0.015 0.000 2.572 33 S HA 0.036 4.506 4.470 -0.000 0.000 0.279 33 S C 1.239 175.834 174.600 -0.008 0.000 1.341 33 S CA -0.508 57.684 58.200 -0.014 0.000 1.043 33 S CB 1.483 64.679 63.200 -0.006 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.259 122.167 119.914 -0.010 0.000 2.407 34 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 34 V C 2.786 178.881 176.094 0.002 0.000 1.055 34 V CA 2.375 64.672 62.300 -0.005 0.000 1.049 34 V CB -1.159 30.660 31.823 -0.006 0.000 0.662 34 V HN 0.957 nan 8.190 nan 0.000 0.455 35 E N 0.320 120.522 120.200 0.002 0.000 2.077 35 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 35 E C 2.218 178.824 176.600 0.010 0.000 0.989 35 E CA 1.507 57.911 56.400 0.006 0.000 0.800 35 E CB -0.529 29.174 29.700 0.005 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.179 123.005 122.820 0.009 0.000 1.902 36 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 36 A C 2.262 179.857 177.584 0.019 0.000 1.181 36 A CA 1.239 53.285 52.037 0.014 0.000 0.623 36 A CB -0.680 18.328 19.000 0.013 0.000 0.818 36 A HN 0.295 nan 8.150 nan 0.000 0.443 37 L N -1.179 120.054 121.223 0.016 0.000 2.083 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 37 L C 2.593 179.476 176.870 0.022 0.000 1.083 37 L CA 1.711 56.563 54.840 0.020 0.000 0.752 37 L CB -0.354 41.714 42.059 0.015 0.000 0.899 37 L HN 0.322 nan 8.230 nan 0.000 0.433 38 K N -0.026 120.385 120.400 0.018 0.000 2.097 38 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 38 K C 2.054 178.668 176.600 0.024 0.000 1.049 38 K CA 1.273 57.572 56.287 0.019 0.000 0.933 38 K CB -0.422 32.087 32.500 0.015 0.000 0.717 38 K HN 0.348 nan 8.250 nan 0.000 0.442 39 G N 0.500 109.315 108.800 0.024 0.000 2.418 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G C 1.298 176.218 174.900 0.034 0.000 1.158 39 G CA 0.509 45.627 45.100 0.029 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.471 121.715 121.223 0.035 0.000 2.046 40 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 40 L C 2.789 179.684 176.870 0.041 0.000 1.077 40 L CA 1.083 55.947 54.840 0.040 0.000 0.747 40 L CB -0.521 41.563 42.059 0.041 0.000 0.896 40 L HN 0.205 nan 8.230 nan 0.000 0.432 41 I N -1.250 119.343 120.570 0.037 0.000 2.179 41 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 41 I C 2.453 178.594 176.117 0.040 0.000 1.088 41 I CA 1.145 62.468 61.300 0.039 0.000 1.357 41 I CB -0.204 37.817 38.000 0.035 0.000 1.051 41 I HN 0.368 nan 8.210 nan 0.000 0.409 42 Q N -0.237 119.585 119.800 0.036 0.000 2.167 42 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 42 Q C 2.305 178.325 176.000 0.035 0.000 0.970 42 Q CA 1.503 57.327 55.803 0.034 0.000 0.855 42 Q CB -0.086 28.669 28.738 0.029 0.000 0.911 42 Q HN 0.407 nan 8.270 nan 0.000 0.438 43 S N -1.062 114.660 115.700 0.037 0.000 2.453 43 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 43 S C 1.168 175.791 174.600 0.040 0.000 1.005 43 S CA 0.909 59.132 58.200 0.038 0.000 0.949 43 S CB 0.396 63.623 63.200 0.044 0.000 0.774 43 S HN 0.657 nan 8.310 nan 0.000 0.510 44 G N 1.071 109.897 108.800 0.044 0.000 2.200 44 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G C -0.045 174.886 174.900 0.052 0.000 1.021 44 G CA -0.201 44.928 45.100 0.048 0.000 0.720 44 G HN 0.408 nan 8.290 nan 0.000 0.494 45 M N 1.355 120.986 119.600 0.052 0.000 2.188 45 M HA 0.599 5.079 4.480 -0.000 0.000 0.354 45 M C 0.942 177.275 176.300 0.056 0.000 1.342 45 M CA 0.425 55.758 55.300 0.055 0.000 1.117 45 M CB 0.997 33.629 32.600 0.053 0.000 1.670 45 M HN -0.031 nan 8.290 nan 0.000 0.466 46 S N 3.315 119.052 115.700 0.061 0.000 2.506 46 S HA 0.231 4.701 4.470 -0.000 0.000 0.219 46 S C -0.045 174.590 174.600 0.059 0.000 1.031 46 S CA -0.315 57.921 58.200 0.060 0.000 0.911 46 S CB 0.494 63.733 63.200 0.064 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.625 121.581 119.914 0.069 0.000 2.638 47 V HA 0.778 4.898 4.120 -0.000 0.000 0.306 47 V C -0.667 175.472 176.094 0.074 0.000 1.052 47 V CA -1.129 61.215 62.300 0.073 0.000 0.885 47 V CB 1.458 33.350 31.823 0.116 0.000 0.999 47 V HN 0.259 nan 8.190 nan 0.000 0.424 48 A N 4.591 127.441 122.820 0.050 0.000 2.276 48 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 48 A C -0.138 177.473 177.584 0.045 0.000 1.229 48 A CA -0.618 51.453 52.037 0.057 0.000 0.851 48 A CB 0.708 19.736 19.000 0.048 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.290 123.842 120.500 0.087 0.000 2.338 49 R HA 0.635 4.975 4.340 -0.000 0.000 0.317 49 R C -1.060 175.315 176.300 0.125 0.000 0.968 49 R CA -0.385 55.767 56.100 0.086 0.000 0.849 49 R CB 0.753 31.179 30.300 0.211 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.544 123.207 119.600 0.105 0.000 2.205 50 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 50 M C -0.412 175.987 176.300 0.165 0.000 1.085 50 M CA -0.856 54.542 55.300 0.163 0.000 1.001 50 M CB 1.673 34.358 32.600 0.143 0.000 1.626 50 M HN 0.410 nan 8.290 nan 0.000 0.442 51 N N 2.148 120.992 118.700 0.240 0.000 2.426 51 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 51 N C -0.571 175.090 175.510 0.252 0.000 1.002 51 N CA -0.248 52.965 53.050 0.272 0.000 0.942 51 N CB 0.567 39.253 38.487 0.331 0.000 1.112 51 N HN 0.507 nan 8.380 nan 0.000 0.499 52 F N 1.210 121.136 119.950 -0.039 0.000 2.811 52 F HA 0.128 4.655 4.527 -0.000 0.000 0.301 52 F C 2.069 177.880 175.800 0.019 0.000 1.151 52 F CA 0.162 58.157 58.000 -0.010 0.000 1.412 52 F CB 0.075 39.036 39.000 -0.063 0.000 1.113 52 F HN 0.459 nan 8.300 nan 0.000 0.579 53 S N -1.661 114.064 115.700 0.042 0.000 2.481 53 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 53 S C 0.147 174.480 174.600 -0.445 0.000 0.996 53 S CA 0.686 58.739 58.200 -0.245 0.000 0.942 53 S CB -0.403 62.549 63.200 -0.414 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.142 117.972 119.070 0.073 0.000 2.797 54 H HA 0.608 5.164 4.556 -0.000 0.000 0.372 54 H C 0.667 175.946 175.328 -0.082 0.000 1.168 54 H CA -0.083 55.951 56.048 -0.023 0.000 1.163 54 H CB 1.368 31.109 29.762 -0.035 0.000 1.778 54 H HN 0.218 nan 8.280 nan 0.000 0.551 55 G N 0.625 109.321 108.800 -0.173 0.000 2.642 55 G HA2 0.055 4.015 3.960 -0.000 0.000 0.231 55 G HA3 0.055 4.015 3.960 -0.000 0.000 0.231 55 G C -0.491 174.259 174.900 -0.250 0.000 1.338 55 G CA -0.217 44.621 45.100 -0.437 0.000 0.883 55 G HN 1.277 nan 8.290 nan 0.000 0.570 56 S N -3.296 112.248 115.700 -0.259 0.000 2.672 56 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 56 S C 0.524 175.082 174.600 -0.071 0.000 1.171 56 S CA 0.321 58.445 58.200 -0.127 0.000 0.817 56 S CB 1.249 64.387 63.200 -0.103 0.000 1.150 56 S HN 0.931 nan 8.310 nan 0.000 0.478 57 H N 0.171 119.085 119.070 -0.260 0.000 2.387 57 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 57 H C 1.983 177.213 175.328 -0.164 0.000 1.090 57 H CA 1.620 57.398 56.048 -0.451 0.000 1.332 57 H CB 0.149 29.554 29.762 -0.596 0.000 1.386 57 H HN 0.769 nan 8.280 nan 0.000 0.516 58 E N 0.581 120.816 120.200 0.058 0.000 2.051 58 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 58 E C 1.938 178.564 176.600 0.044 0.000 0.991 58 E CA 0.935 57.376 56.400 0.069 0.000 0.799 58 E CB -0.079 29.648 29.700 0.045 0.000 0.748 58 E HN 0.456 nan 8.360 nan 0.000 0.449 59 Y N 0.754 120.968 120.300 -0.145 0.000 2.145 59 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 59 Y C 2.287 178.067 175.900 -0.199 0.000 1.145 59 Y CA 2.068 60.037 58.100 -0.218 0.000 1.148 59 Y CB -0.189 38.047 38.460 -0.374 0.000 0.981 59 Y HN 0.199 nan 8.280 nan 0.000 0.507 60 H N -0.697 118.391 119.070 0.030 0.000 2.423 60 H HA -0.139 4.417 4.556 -0.000 0.000 0.297 60 H C 2.062 177.445 175.328 0.092 0.000 1.075 60 H CA 1.586 57.641 56.048 0.012 0.000 1.342 60 H CB -0.281 29.417 29.762 -0.106 0.000 1.395 60 H HN 0.401 nan 8.280 nan 0.000 0.530 61 Q N 0.718 120.667 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 61 Q C 2.075 178.117 176.000 0.069 0.000 0.978 61 Q CA 1.971 57.915 55.803 0.236 0.000 0.844 61 Q CB -0.226 28.674 28.738 0.269 0.000 0.898 61 Q HN 0.300 nan 8.270 nan 0.000 0.426 62 T N -0.418 114.114 114.554 -0.037 0.000 2.746 62 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 62 T C 1.717 176.355 174.700 -0.104 0.000 1.039 62 T CA 1.702 63.740 62.100 -0.104 0.000 1.142 62 T CB -0.579 68.158 68.868 -0.219 0.000 0.866 62 T HN 0.374 nan 8.240 nan 0.000 0.444 63 T N 1.935 116.415 114.554 -0.122 0.000 2.746 63 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 63 T C 1.968 176.674 174.700 0.010 0.000 1.039 63 T CA 0.852 62.919 62.100 -0.055 0.000 1.142 63 T CB -0.391 68.484 68.868 0.012 0.000 0.866 63 T HN 0.321 nan 8.240 nan 0.000 0.444 64 I N 1.512 122.110 120.570 0.047 0.000 2.179 64 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 64 I C 2.340 178.461 176.117 0.006 0.000 1.088 64 I CA 0.986 62.308 61.300 0.037 0.000 1.357 64 I CB -0.323 37.708 38.000 0.051 0.000 1.051 64 I HN 0.174 nan 8.210 nan 0.000 0.409 65 N N 1.037 119.738 118.700 0.001 0.000 2.142 65 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 65 N C 1.552 177.054 175.510 -0.014 0.000 1.023 65 N CA 1.256 54.300 53.050 -0.009 0.000 0.852 65 N CB -0.691 37.791 38.487 -0.009 0.000 0.998 65 N HN 0.316 nan 8.380 nan 0.000 0.424 66 N N 0.419 119.107 118.700 -0.020 0.000 2.166 66 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 66 N C 1.786 177.290 175.510 -0.009 0.000 1.019 66 N CA 0.434 53.473 53.050 -0.019 0.000 0.856 66 N CB -0.500 37.967 38.487 -0.032 0.000 0.993 66 N HN 0.041 nan 8.380 nan 0.000 0.426 67 V N 0.987 120.899 119.914 -0.004 0.000 2.307 67 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 67 V C 2.273 178.364 176.094 -0.004 0.000 1.045 67 V CA 1.499 63.800 62.300 0.002 0.000 1.024 67 V CB -0.352 31.477 31.823 0.009 0.000 0.651 67 V HN 0.220 nan 8.190 nan 0.000 0.449 68 R N -0.443 120.051 120.500 -0.011 0.000 2.081 68 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 68 R C 2.464 178.755 176.300 -0.014 0.000 1.131 68 R CA 1.736 57.826 56.100 -0.017 0.000 0.960 68 R CB -0.347 29.938 30.300 -0.024 0.000 0.856 68 R HN 0.574 nan 8.270 nan 0.000 0.436 69 Q N 0.073 119.866 119.800 -0.012 0.000 2.084 69 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 69 Q C 2.000 177.997 176.000 -0.005 0.000 0.978 69 Q CA 1.643 57.441 55.803 -0.009 0.000 0.844 69 Q CB -0.046 28.686 28.738 -0.010 0.000 0.898 69 Q HN 0.389 nan 8.270 nan 0.000 0.426 70 A N 0.689 123.507 122.820 -0.002 0.000 1.902 70 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 70 A C 2.255 179.842 177.584 0.006 0.000 1.181 70 A CA 1.620 53.659 52.037 0.003 0.000 0.623 70 A CB -0.875 18.129 19.000 0.006 0.000 0.818 70 A HN 0.537 nan 8.150 nan 0.000 0.443 71 A N -0.131 122.692 122.820 0.004 0.000 1.902 71 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 71 A C 2.496 180.082 177.584 0.003 0.000 1.181 71 A CA 2.036 54.076 52.037 0.005 0.000 0.623 71 A CB -0.986 18.014 19.000 -0.000 0.000 0.818 71 A HN 1.037 nan 8.150 nan 0.000 0.443 72 A N -0.334 122.484 122.820 -0.004 0.000 1.902 72 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 72 A C 1.904 179.489 177.584 0.002 0.000 1.181 72 A CA 1.701 53.735 52.037 -0.005 0.000 0.623 72 A CB -0.521 18.472 19.000 -0.011 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.746 119.456 120.200 0.003 0.000 2.204 73 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 73 E C 1.245 177.852 176.600 0.011 0.000 0.990 73 E CA 0.716 57.119 56.400 0.006 0.000 0.821 73 E CB -0.089 29.614 29.700 0.005 0.000 0.750 73 E HN 0.598 nan 8.360 nan 0.000 0.477 74 L N -0.833 120.399 121.223 0.014 0.000 2.693 74 L HA 0.238 4.578 4.340 -0.000 0.000 0.235 74 L C 0.868 177.755 176.870 0.027 0.000 1.127 74 L CA -0.008 54.844 54.840 0.021 0.000 0.914 74 L CB 0.575 42.648 42.059 0.023 0.000 1.193 74 L HN 0.168 nan 8.230 nan 0.000 0.502 75 G N 1.692 110.506 108.800 0.024 0.000 2.338 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G C -0.046 174.878 174.900 0.041 0.000 1.040 75 G CA 0.508 45.627 45.100 0.031 0.000 1.004 75 G HN 0.285 nan 8.290 nan 0.000 0.509 76 V N -3.843 116.090 119.914 0.031 0.000 3.130 76 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 76 V C -0.337 175.767 176.094 0.017 0.000 1.158 76 V CA -1.959 60.363 62.300 0.038 0.000 1.029 76 V CB 2.249 34.099 31.823 0.046 0.000 1.057 76 V HN 0.160 nan 8.190 nan 0.000 0.436 77 N N 2.141 120.851 118.700 0.016 0.000 2.424 77 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 77 N C -1.380 174.134 175.510 0.007 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.005 0.000 0.921 77 N CB 1.995 40.471 38.487 -0.019 0.000 1.149 77 N HN 0.574 nan 8.380 nan 0.000 0.492 78 I N 1.580 122.150 120.570 0.000 0.000 2.406 78 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 78 I C 0.574 176.691 176.117 -0.000 0.000 0.999 78 I CA -1.068 60.238 61.300 0.010 0.000 1.124 78 I CB 1.088 39.096 38.000 0.014 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.585 130.409 122.820 0.006 0.000 2.445 79 A HA 0.554 4.874 4.320 -0.000 0.000 0.242 79 A C -0.087 177.485 177.584 -0.020 0.000 1.075 79 A CA 0.005 52.037 52.037 -0.007 0.000 0.777 79 A CB 0.209 19.213 19.000 0.007 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.423 121.964 120.570 -0.047 0.000 2.406 80 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 80 I C 0.397 176.432 176.117 -0.137 0.000 0.999 80 I CA -0.133 61.129 61.300 -0.063 0.000 1.124 80 I CB 1.845 39.817 38.000 -0.047 0.000 1.289 80 I HN 0.704 nan 8.210 nan 0.000 0.441 81 A N 7.361 130.057 122.820 -0.207 0.000 2.342 81 A HA 0.709 5.029 4.320 -0.000 0.000 0.323 81 A C -1.080 176.279 177.584 -0.375 0.000 1.125 81 A CA -0.524 51.241 52.037 -0.454 0.000 0.785 81 A CB 1.317 19.770 19.000 -0.913 0.000 1.221 81 A HN 0.752 nan 8.150 nan 0.000 0.463 82 L N 2.476 123.471 121.223 -0.380 0.000 2.280 82 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 82 L C -0.928 175.781 176.870 -0.268 0.000 1.023 82 L CA -0.524 54.131 54.840 -0.309 0.000 0.819 82 L CB 0.965 42.791 42.059 -0.388 0.000 1.212 82 L HN 0.685 nan 8.230 nan 0.000 0.420 83 D N 4.287 124.626 120.400 -0.103 0.000 2.456 83 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 83 D C 0.009 176.362 176.300 0.089 0.000 1.126 83 D CA -0.153 53.895 54.000 0.080 0.000 0.890 83 D CB 1.091 42.020 40.800 0.215 0.000 1.025 83 D HN 0.615 nan 8.370 nan 0.000 0.511 84 T N 0.598 115.171 114.554 0.032 0.000 2.900 84 T HA 0.044 4.394 4.350 -0.000 0.000 0.307 84 T C 1.322 176.081 174.700 0.098 0.000 1.065 84 T CA -0.374 61.749 62.100 0.040 0.000 1.105 84 T CB 1.948 70.819 68.868 0.005 0.000 0.979 84 T HN 0.357 nan 8.240 nan 0.000 0.544 85 K N 1.935 122.401 120.400 0.111 0.000 2.025 85 K HA 0.158 4.478 4.320 -0.000 0.000 0.207 85 K C 1.182 177.795 176.600 0.022 0.000 1.049 85 K CA 1.095 57.412 56.287 0.049 0.000 0.933 85 K CB -1.005 31.520 32.500 0.042 0.000 0.714 85 K HN 1.191 nan 8.250 nan 0.000 0.438 86 G N 0.864 109.688 108.800 0.041 0.000 2.829 86 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G C -2.705 172.202 174.900 0.012 0.000 1.412 86 G CA -0.465 44.661 45.100 0.044 0.000 0.864 86 G HN 0.219 nan 8.290 nan 0.000 0.544 87 P HA 0.316 nan 4.420 nan 0.000 0.271 87 P C -0.287 176.947 177.300 -0.111 0.000 1.216 87 P CA 0.520 63.621 63.100 0.001 0.000 0.771 87 P CB 0.855 32.600 31.700 0.075 0.000 0.864 88 E N 1.930 122.069 120.200 -0.101 0.000 2.288 88 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 88 E C -0.443 176.091 176.600 -0.109 0.000 0.885 88 E CA -0.881 55.434 56.400 -0.141 0.000 0.767 88 E CB 1.933 31.579 29.700 -0.090 0.000 1.220 88 E HN 0.375 nan 8.360 nan 0.000 0.427 89 I N 2.613 123.105 120.570 -0.129 0.000 2.336 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 89 I C 0.074 176.181 176.117 -0.017 0.000 0.991 89 I CA -0.464 60.793 61.300 -0.071 0.000 1.227 89 I CB 0.792 38.737 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.139 123.646 120.500 0.013 0.000 2.795 90 R HA 0.469 4.809 4.340 -0.000 0.000 0.275 90 R C -0.313 176.024 176.300 0.061 0.000 0.981 90 R CA -0.751 55.376 56.100 0.046 0.000 0.917 90 R CB 2.544 32.873 30.300 0.048 0.000 1.202 90 R HN 0.725 nan 8.270 nan 0.000 0.469 91 T N -1.123 113.503 114.554 0.121 0.000 2.766 91 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 91 T C 0.920 175.692 174.700 0.119 0.000 1.024 91 T CA -0.324 61.877 62.100 0.169 0.000 1.018 91 T CB 1.032 70.059 68.868 0.266 0.000 1.002 91 T HN 0.614 nan 8.240 nan 0.000 0.532 92 G N -0.012 108.881 108.800 0.155 0.000 2.504 92 G HA2 0.440 4.400 3.960 -0.000 0.000 0.257 92 G HA3 0.440 4.400 3.960 -0.000 0.000 0.257 92 G C -0.382 174.364 174.900 -0.256 0.000 1.451 92 G CA -0.887 44.276 45.100 0.106 0.000 1.059 92 G HN 0.875 nan 8.290 nan 0.000 0.550 93 Q N -0.806 118.847 119.800 -0.245 0.000 2.260 93 Q HA 0.426 4.766 4.340 -0.000 0.000 0.242 93 Q C -1.345 174.347 176.000 -0.514 0.000 0.932 93 Q CA 0.015 55.647 55.803 -0.285 0.000 0.891 93 Q CB 1.597 30.276 28.738 -0.098 0.000 1.222 93 Q HN 0.340 nan 8.270 nan 0.000 0.453 94 F N -0.304 119.666 119.950 0.033 0.000 2.458 94 F HA 0.302 4.829 4.527 -0.000 0.000 0.330 94 F C 0.214 176.028 175.800 0.024 0.000 1.082 94 F CA -1.196 56.820 58.000 0.026 0.000 0.995 94 F CB 0.958 39.935 39.000 -0.039 0.000 1.170 94 F HN 0.173 nan 8.300 nan 0.000 0.478 95 V N 2.046 122.091 119.914 0.218 0.000 2.673 95 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 95 V C 0.969 177.127 176.094 0.107 0.000 1.046 95 V CA 1.049 63.425 62.300 0.126 0.000 1.126 95 V CB 0.369 32.257 31.823 0.109 0.000 0.934 95 V HN 1.072 nan 8.190 nan 0.000 0.487 96 G N 3.579 112.420 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G C 1.193 176.123 174.900 0.050 0.000 0.983 96 G CA 0.692 45.820 45.100 0.047 0.000 0.676 96 G HN 2.264 nan 8.290 nan 0.000 0.528 97 G N -1.117 107.730 108.800 0.077 0.000 2.284 97 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.261 97 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.261 97 G C 0.152 175.119 174.900 0.112 0.000 0.997 97 G CA 1.351 46.500 45.100 0.082 0.000 0.621 97 G HN 1.739 nan 8.290 nan 0.000 0.534 98 D N -0.720 119.731 120.400 0.084 0.000 2.579 98 D HA 0.808 5.448 4.640 -0.000 0.000 0.257 98 D C -0.563 175.644 176.300 -0.154 0.000 1.176 98 D CA 0.546 54.528 54.000 -0.029 0.000 0.914 98 D CB 1.508 42.272 40.800 -0.062 0.000 1.431 98 D HN 1.172 nan 8.370 nan 0.000 0.454 99 A N 1.005 123.572 122.820 -0.421 0.000 2.480 99 A HA 0.507 4.827 4.320 -0.000 0.000 0.289 99 A C -1.556 175.772 177.584 -0.425 0.000 1.044 99 A CA -0.625 51.118 52.037 -0.491 0.000 0.761 99 A CB 1.322 19.781 19.000 -0.902 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.624 124.389 119.914 -0.248 0.000 2.322 100 V HA 0.233 4.353 4.120 -0.000 0.000 0.258 100 V C -0.040 175.969 176.094 -0.140 0.000 1.074 100 V CA -0.136 62.056 62.300 -0.181 0.000 0.909 100 V CB 0.478 32.234 31.823 -0.112 0.000 1.090 100 V HN 0.819 nan 8.190 nan 0.000 0.486 101 M N 4.725 124.233 119.600 -0.152 0.000 2.108 101 M HA 0.393 4.873 4.480 -0.000 0.000 0.347 101 M C 0.276 176.557 176.300 -0.031 0.000 1.326 101 M CA 0.223 55.474 55.300 -0.081 0.000 1.126 101 M CB 0.378 32.933 32.600 -0.076 0.000 1.606 101 M HN 0.579 nan 8.290 nan 0.000 0.462 102 E N 2.228 122.420 120.200 -0.014 0.000 2.248 102 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 102 E C -0.189 176.416 176.600 0.007 0.000 1.008 102 E CA -0.895 55.503 56.400 -0.003 0.000 0.856 102 E CB 2.021 31.718 29.700 -0.004 0.000 1.120 102 E HN 0.458 nan 8.360 nan 0.000 0.397 103 R N 0.535 121.040 120.500 0.008 0.000 2.537 103 R HA 0.123 4.463 4.340 -0.000 0.000 0.280 103 R C 0.763 177.069 176.300 0.010 0.000 1.058 103 R CA 1.332 57.439 56.100 0.011 0.000 1.057 103 R CB 0.046 30.351 30.300 0.008 0.000 0.973 103 R HN 0.856 nan 8.270 nan 0.000 0.438 104 G N 2.177 110.985 108.800 0.012 0.000 2.268 104 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G C 0.180 175.083 174.900 0.004 0.000 1.010 104 G CA 0.119 45.224 45.100 0.009 0.000 0.618 104 G HN 0.972 nan 8.290 nan 0.000 0.516 105 A N 0.386 123.210 122.820 0.006 0.000 2.466 105 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 105 A C 0.697 178.272 177.584 -0.014 0.000 1.074 105 A CA 1.502 53.541 52.037 0.004 0.000 0.774 105 A CB 0.222 19.230 19.000 0.012 0.000 1.015 105 A HN 0.848 nan 8.150 nan 0.000 0.498 106 T N 1.198 115.736 114.554 -0.027 0.000 2.799 106 T HA 0.507 4.856 4.350 -0.000 0.000 0.286 106 T C 0.069 174.701 174.700 -0.113 0.000 0.973 106 T CA 0.118 62.157 62.100 -0.102 0.000 1.035 106 T CB 0.167 68.970 68.868 -0.108 0.000 0.932 106 T HN 1.183 nan 8.240 nan 0.000 0.469 107 C N 2.546 121.715 119.300 -0.217 0.000 3.154 107 C HA 0.859 5.319 4.460 -0.000 0.000 0.312 107 C C -1.746 172.971 174.990 -0.455 0.000 1.349 107 C CA -1.227 57.704 59.018 -0.146 0.000 1.518 107 C CB 0.322 28.123 27.740 0.103 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.875 121.148 120.300 -0.045 0.000 2.350 108 Y HA 0.592 5.142 4.550 -0.000 0.000 0.338 108 Y C 0.298 176.007 175.900 -0.319 0.000 0.961 108 Y CA -0.689 57.323 58.100 -0.148 0.000 1.100 108 Y CB 2.063 40.441 38.460 -0.136 0.000 1.179 108 Y HN 0.826 nan 8.280 nan 0.000 0.454 109 V N 0.499 120.250 119.914 -0.272 0.000 2.417 109 V HA 0.837 4.957 4.120 -0.000 0.000 0.291 109 V C -0.485 175.452 176.094 -0.263 0.000 1.024 109 V CA -0.274 61.733 62.300 -0.488 0.000 0.861 109 V CB 1.433 32.941 31.823 -0.524 0.000 0.985 109 V HN 0.772 nan 8.190 nan 0.000 0.436 110 T N 2.569 116.978 114.554 -0.241 0.000 2.907 110 T HA 0.571 4.921 4.350 -0.000 0.000 0.292 110 T C 0.787 175.469 174.700 -0.030 0.000 1.043 110 T CA 0.320 62.349 62.100 -0.118 0.000 1.003 110 T CB 1.870 70.637 68.868 -0.168 0.000 1.084 110 T HN 1.162 nan 8.240 nan 0.000 0.483 111 T N 0.019 114.576 114.554 0.005 0.000 3.105 111 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 111 T C 0.365 175.242 174.700 0.295 0.000 1.047 111 T CA -0.371 61.769 62.100 0.066 0.000 0.944 111 T CB -0.150 68.698 68.868 -0.034 0.000 1.016 111 T HN 0.525 nan 8.240 nan 0.000 0.544 112 D N 3.706 124.261 120.400 0.259 0.000 2.412 112 D HA 0.095 4.735 4.640 -0.000 0.000 0.257 112 D C -1.028 175.448 176.300 0.294 0.000 1.217 112 D CA -2.169 51.988 54.000 0.261 0.000 0.897 112 D CB 1.523 42.471 40.800 0.248 0.000 1.132 112 D HN 0.104 nan 8.370 nan 0.000 0.493 113 P HA -0.081 nan 4.420 nan 0.000 0.223 113 P C 1.088 178.264 177.300 -0.205 0.000 1.151 113 P CA 0.578 63.593 63.100 -0.143 0.000 0.787 113 P CB 0.078 31.757 31.700 -0.035 0.000 0.788 114 A N -0.348 122.435 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 114 A C 1.639 179.007 177.584 -0.360 0.000 1.169 114 A CA 1.468 53.397 52.037 -0.181 0.000 0.655 114 A CB -1.820 17.087 19.000 -0.155 0.000 0.812 114 A HN 0.193 nan 8.150 nan 0.000 0.462 115 F N -1.149 118.707 119.950 -0.156 0.000 2.693 115 F HA 0.343 4.869 4.527 -0.000 0.000 0.303 115 F C 2.196 177.885 175.800 -0.186 0.000 1.097 115 F CA 0.233 58.174 58.000 -0.099 0.000 1.330 115 F CB 0.070 39.091 39.000 0.036 0.000 1.067 115 F HN 0.230 nan 8.300 nan 0.000 0.565 116 A N 0.268 122.881 122.820 -0.346 0.000 2.015 116 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 116 A C 1.475 178.968 177.584 -0.153 0.000 1.163 116 A CA 1.937 53.726 52.037 -0.413 0.000 0.646 116 A CB -0.499 18.133 19.000 -0.613 0.000 0.806 116 A HN 0.392 nan 8.150 nan 0.000 0.448 117 D N -1.464 118.855 120.400 -0.135 0.000 2.538 117 D HA 0.077 4.717 4.640 -0.000 0.000 0.231 117 D C 0.379 176.646 176.300 -0.054 0.000 1.229 117 D CA 0.044 53.992 54.000 -0.088 0.000 0.828 117 D CB -0.248 40.499 40.800 -0.088 0.000 1.035 117 D HN 0.542 nan 8.370 nan 0.000 0.495 118 K N -0.386 120.003 120.400 -0.019 0.000 3.147 118 K HA 0.383 4.703 4.320 -0.000 0.000 0.190 118 K C 0.435 177.160 176.600 0.209 0.000 1.094 118 K CA -0.742 55.572 56.287 0.045 0.000 1.024 118 K CB 0.403 32.872 32.500 -0.051 0.000 0.700 118 K HN -0.008 nan 8.250 nan 0.000 0.424 119 G N 1.114 110.036 108.800 0.204 0.000 2.667 119 G HA2 0.402 4.362 3.960 -0.000 0.000 0.250 119 G HA3 0.402 4.362 3.960 -0.000 0.000 0.250 119 G C -0.149 175.023 174.900 0.453 0.000 1.212 119 G CA 0.352 45.677 45.100 0.374 0.000 0.874 119 G HN 0.420 nan 8.290 nan 0.000 0.561 120 T N -3.224 111.654 114.554 0.539 0.000 2.762 120 T HA 0.390 4.740 4.350 -0.000 0.000 0.301 120 T C 1.083 175.985 174.700 0.337 0.000 1.299 120 T CA -0.160 62.165 62.100 0.375 0.000 1.005 120 T CB 1.580 70.597 68.868 0.248 0.000 1.377 120 T HN 0.637 nan 8.240 nan 0.000 0.504 121 K N 0.226 120.708 120.400 0.136 0.000 2.211 121 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 121 K C 0.925 177.659 176.600 0.224 0.000 1.047 121 K CA 1.945 58.284 56.287 0.087 0.000 0.935 121 K CB -0.383 32.114 32.500 -0.004 0.000 0.728 121 K HN 0.488 nan 8.250 nan 0.000 0.452 122 D N 0.929 121.472 120.400 0.239 0.000 2.123 122 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 122 D C 0.280 176.774 176.300 0.323 0.000 0.976 122 D CA 1.182 55.334 54.000 0.253 0.000 0.831 122 D CB 0.205 41.126 40.800 0.203 0.000 0.974 122 D HN 0.282 nan 8.370 nan 0.000 0.469 123 K N -0.308 120.298 120.400 0.343 0.000 2.571 123 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 123 K C -1.750 175.071 176.600 0.368 0.000 0.956 123 K CA -0.571 55.861 56.287 0.243 0.000 0.822 123 K CB 1.181 33.692 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.926 120.977 119.950 0.170 0.000 2.715 124 F HA 0.542 5.069 4.527 -0.000 0.000 0.318 124 F C -1.778 174.135 175.800 0.187 0.000 1.141 124 F CA -1.316 56.811 58.000 0.212 0.000 0.950 124 F CB 0.607 39.805 39.000 0.330 0.000 1.374 124 F HN 0.383 nan 8.300 nan 0.000 0.477 125 Y N 2.147 122.564 120.300 0.195 0.000 2.323 125 Y HA 0.741 5.291 4.550 -0.000 0.000 0.331 125 Y C -1.043 174.935 175.900 0.131 0.000 1.092 125 Y CA -1.361 56.791 58.100 0.088 0.000 1.150 125 Y CB 1.051 39.586 38.460 0.125 0.000 1.200 125 Y HN 0.611 nan 8.280 nan 0.000 0.472 126 I N 5.731 126.050 120.570 -0.417 0.000 2.433 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 126 I C -0.222 175.409 176.117 -0.810 0.000 1.001 126 I CA -0.708 60.364 61.300 -0.381 0.000 1.119 126 I CB 1.772 39.687 38.000 -0.141 0.000 1.289 126 I HN 0.704 nan 8.210 nan 0.000 0.438 127 D N 4.829 124.886 120.400 -0.573 0.000 2.319 127 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 127 D C -0.073 176.188 176.300 -0.065 0.000 1.094 127 D CA 0.089 53.808 54.000 -0.468 0.000 0.856 127 D CB -0.079 40.703 40.800 -0.030 0.000 0.915 127 D HN 0.293 nan 8.370 nan 0.000 0.517 128 Y N 2.068 122.258 120.300 -0.182 0.000 2.518 128 Y HA 0.251 4.801 4.550 -0.000 0.000 0.344 128 Y C 1.021 176.887 175.900 -0.057 0.000 0.982 128 Y CA -1.115 56.943 58.100 -0.070 0.000 1.234 128 Y CB 0.974 39.408 38.460 -0.042 0.000 1.114 128 Y HN -0.218 nan 8.280 nan 0.000 0.515 129 Q N 3.057 122.810 119.800 -0.079 0.000 2.291 129 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 129 Q C 0.586 176.397 176.000 -0.315 0.000 0.976 129 Q CA 1.002 56.719 55.803 -0.142 0.000 0.875 129 Q CB 0.086 28.811 28.738 -0.022 0.000 0.927 129 Q HN 0.681 nan 8.270 nan 0.000 0.450 130 N N 0.549 118.849 118.700 -0.666 0.000 2.370 130 N HA -0.022 4.718 4.740 -0.000 0.000 0.198 130 N C 1.403 176.463 175.510 -0.751 0.000 1.156 130 N CA -0.050 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.069 38.204 38.487 -0.587 0.000 0.989 130 N HN 0.125 nan 8.380 nan 0.000 0.468 131 L N 0.696 121.501 121.223 -0.697 0.000 1.997 131 L HA -0.209 4.130 4.340 -0.000 0.000 0.216 131 L C 1.960 178.754 176.870 -0.127 0.000 1.074 131 L CA 1.774 56.431 54.840 -0.305 0.000 0.763 131 L CB -0.871 41.111 42.059 -0.129 0.000 0.890 131 L HN 0.046 nan 8.230 nan 0.000 0.434 132 S N -0.761 114.884 115.700 -0.092 0.000 2.382 132 S HA -0.176 4.293 4.470 -0.000 0.000 0.228 132 S C 1.808 176.427 174.600 0.032 0.000 1.027 132 S CA 1.433 59.660 58.200 0.044 0.000 0.991 132 S CB -0.260 62.961 63.200 0.034 0.000 0.823 132 S HN 0.489 nan 8.310 nan 0.000 0.469 133 K N 0.543 120.900 120.400 -0.071 0.000 2.211 133 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 133 K C 1.718 178.307 176.600 -0.019 0.000 1.050 133 K CA 0.825 57.073 56.287 -0.065 0.000 0.945 133 K CB -0.096 32.352 32.500 -0.087 0.000 0.732 133 K HN 0.184 nan 8.250 nan 0.000 0.451 134 V N 0.963 120.869 119.914 -0.014 0.000 2.992 134 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 134 V C 0.787 176.905 176.094 0.041 0.000 1.090 134 V CA 0.512 62.833 62.300 0.036 0.000 1.101 134 V CB 0.601 32.489 31.823 0.107 0.000 0.743 134 V HN -0.054 nan 8.190 nan 0.000 0.468 135 V N 0.658 120.598 119.914 0.044 0.000 2.713 135 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 135 V C 0.025 176.140 176.094 0.035 0.000 1.052 135 V CA -0.651 61.660 62.300 0.018 0.000 0.967 135 V CB 1.726 33.542 31.823 -0.012 0.000 1.019 135 V HN 0.360 nan 8.190 nan 0.000 0.459 136 R N 2.632 123.120 120.500 -0.021 0.000 2.888 136 R HA 0.499 4.839 4.340 -0.000 0.000 0.266 136 R C -2.825 173.405 176.300 -0.117 0.000 1.020 136 R CA -2.122 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.372 31.671 30.300 -0.002 0.000 1.197 136 R HN 0.389 nan 8.270 nan 0.000 0.481 137 P HA -0.077 nan 4.420 nan 0.000 0.260 137 P C 0.537 177.744 177.300 -0.155 0.000 1.172 137 P CA 1.400 64.409 63.100 -0.151 0.000 0.760 137 P CB 0.444 32.084 31.700 -0.101 0.000 0.773 138 G N 2.565 111.234 108.800 -0.218 0.000 2.349 138 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.213 138 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.213 138 G C 0.473 175.089 174.900 -0.474 0.000 1.044 138 G CA -0.463 44.465 45.100 -0.286 0.000 0.633 138 G HN 0.523 nan 8.290 nan 0.000 0.506 139 N N 0.605 119.105 118.700 -0.332 0.000 2.374 139 N HA 0.388 5.128 4.740 -0.000 0.000 0.241 139 N C -0.458 174.804 175.510 -0.414 0.000 1.262 139 N CA 0.501 53.364 53.050 -0.311 0.000 0.880 139 N CB 0.051 38.447 38.487 -0.153 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.347 120.608 120.300 -0.065 0.000 2.420 140 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 140 Y C 0.378 176.225 175.900 -0.089 0.000 1.094 140 Y CA -0.539 57.538 58.100 -0.038 0.000 1.126 140 Y CB 1.171 39.629 38.460 -0.003 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.884 124.566 120.570 0.187 0.000 2.439 141 I HA 0.217 4.387 4.170 -0.000 0.000 0.283 141 I C -1.334 174.968 176.117 0.309 0.000 1.023 141 I CA -0.858 60.525 61.300 0.138 0.000 1.100 141 I CB 0.751 38.814 38.000 0.106 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.671 127.038 120.300 0.110 0.000 2.313 142 Y HA 0.560 5.110 4.550 -0.000 0.000 0.332 142 Y C 0.256 176.214 175.900 0.098 0.000 1.071 142 Y CA -1.265 56.888 58.100 0.089 0.000 1.169 142 Y CB 1.021 39.516 38.460 0.058 0.000 1.192 142 Y HN 0.304 nan 8.280 nan 0.000 0.487 143 I N 2.556 123.279 120.570 0.254 0.000 2.582 143 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 143 I C -0.545 175.661 176.117 0.149 0.000 1.066 143 I CA -0.836 60.583 61.300 0.200 0.000 1.053 143 I CB 1.999 40.132 38.000 0.222 0.000 1.241 143 I HN 0.540 nan 8.210 nan 0.000 0.421 144 D N 4.783 125.262 120.400 0.132 0.000 2.767 144 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 144 D C -0.070 176.275 176.300 0.075 0.000 1.103 144 D CA 1.077 55.146 54.000 0.115 0.000 0.710 144 D CB -0.642 40.259 40.800 0.168 0.000 1.084 144 D HN 0.854 nan 8.370 nan 0.000 0.435 145 D N -1.903 118.536 120.400 0.066 0.000 3.059 145 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 145 D C 1.107 177.410 176.300 0.004 0.000 1.079 145 D CA 1.848 55.870 54.000 0.037 0.000 0.986 145 D CB -1.480 39.331 40.800 0.019 0.000 1.090 145 D HN 1.234 nan 8.370 nan 0.000 0.428 146 G N 0.213 109.022 108.800 0.015 0.000 2.143 146 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G C 1.149 175.854 174.900 -0.326 0.000 0.981 146 G CA 0.498 45.488 45.100 -0.182 0.000 0.665 146 G HN 0.512 nan 8.290 nan 0.000 0.528 147 I N -0.752 119.710 120.570 -0.180 0.000 2.286 147 I HA 0.087 4.257 4.170 -0.000 0.000 0.245 147 I C 1.380 177.358 176.117 -0.231 0.000 1.104 147 I CA 0.723 61.863 61.300 -0.268 0.000 1.397 147 I CB -0.014 37.764 38.000 -0.369 0.000 1.072 147 I HN 0.268 nan 8.210 nan 0.000 0.417 148 L N 1.879 123.070 121.223 -0.053 0.000 2.264 148 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 148 L C -0.555 176.340 176.870 0.041 0.000 1.044 148 L CA 0.114 54.978 54.840 0.040 0.000 0.807 148 L CB 0.717 42.867 42.059 0.152 0.000 1.192 148 L HN -0.044 nan 8.230 nan 0.000 0.425 149 I N 6.749 127.337 120.570 0.030 0.000 2.359 149 I HA 0.302 4.472 4.170 -0.000 0.000 0.284 149 I C -0.607 175.624 176.117 0.190 0.000 1.018 149 I CA -0.424 60.951 61.300 0.125 0.000 1.173 149 I CB 1.030 39.037 38.000 0.011 0.000 1.326 149 I HN 0.490 nan 8.210 nan 0.000 0.462 150 L N 6.042 127.409 121.223 0.240 0.000 2.343 150 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 150 L C -0.065 176.934 176.870 0.215 0.000 1.056 150 L CA -0.521 54.429 54.840 0.183 0.000 0.804 150 L CB 1.276 43.426 42.059 0.152 0.000 1.203 150 L HN 0.583 nan 8.230 nan 0.000 0.440 151 Q N 1.452 121.326 119.800 0.123 0.000 2.316 151 Q HA 0.406 4.746 4.340 -0.000 0.000 0.264 151 Q C -1.249 174.689 176.000 -0.103 0.000 0.987 151 Q CA -0.754 55.046 55.803 -0.006 0.000 0.852 151 Q CB 2.310 31.020 28.738 -0.046 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.014 124.826 119.914 -0.170 0.000 2.479 152 V HA -0.027 4.093 4.120 -0.000 0.000 0.281 152 V C 0.656 176.634 176.094 -0.193 0.000 1.031 152 V CA 0.182 62.370 62.300 -0.186 0.000 1.038 152 V CB 1.124 32.826 31.823 -0.202 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 3.004 122.698 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 153 Q C 0.677 176.587 176.000 -0.149 0.000 0.935 153 Q CA 0.819 56.535 55.803 -0.145 0.000 0.891 153 Q CB 0.682 29.350 28.738 -0.116 0.000 1.007 153 Q HN 0.896 nan 8.270 nan 0.000 0.548 154 S N -0.955 114.636 115.700 -0.182 0.000 2.611 154 S HA 0.416 4.886 4.470 -0.000 0.000 0.268 154 S C -1.286 173.169 174.600 -0.243 0.000 1.156 154 S CA -0.937 57.159 58.200 -0.173 0.000 0.817 154 S CB 0.699 63.868 63.200 -0.050 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.061 120.122 119.070 -0.016 0.000 2.911 155 H HA 0.372 4.928 4.556 -0.000 0.000 0.273 155 H C 1.110 176.445 175.328 0.011 0.000 1.157 155 H CA -0.164 55.878 56.048 -0.011 0.000 1.402 155 H CB 1.139 30.888 29.762 -0.022 0.000 1.463 155 H HN 0.856 nan 8.280 nan 0.000 0.475 156 E N 2.670 122.939 120.200 0.115 0.000 2.070 156 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 156 E C 0.175 176.811 176.600 0.060 0.000 1.004 156 E CA 2.114 58.575 56.400 0.101 0.000 0.805 156 E CB 0.314 30.094 29.700 0.132 0.000 0.744 156 E HN 0.877 nan 8.360 nan 0.000 0.451 157 D N -2.909 117.527 120.400 0.062 0.000 2.921 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.329 157 D C 0.244 176.562 176.300 0.029 0.000 1.293 157 D CA -0.566 53.452 54.000 0.031 0.000 0.964 157 D CB -0.302 40.497 40.800 -0.001 0.000 1.435 157 D HN -0.048 nan 8.370 nan 0.000 0.548 158 E N -1.114 119.081 120.200 -0.007 0.000 2.409 158 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 158 E C 0.672 177.261 176.600 -0.020 0.000 1.024 158 E CA 0.855 57.234 56.400 -0.034 0.000 0.861 158 E CB 0.112 29.785 29.700 -0.044 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.881 118.919 119.800 -0.000 0.000 2.140 159 Q HA 0.127 4.467 4.340 -0.000 0.000 0.227 159 Q C -0.548 175.447 176.000 -0.008 0.000 0.798 159 Q CA 0.130 55.931 55.803 -0.003 0.000 0.987 159 Q CB 1.860 30.604 28.738 0.009 0.000 1.161 159 Q HN -0.076 nan 8.270 nan 0.000 0.480 160 T N 0.832 115.392 114.554 0.010 0.000 2.916 160 T HA 0.538 4.888 4.350 -0.000 0.000 0.298 160 T C -0.942 173.781 174.700 0.037 0.000 1.031 160 T CA -0.504 61.593 62.100 -0.005 0.000 0.993 160 T CB 1.507 70.357 68.868 -0.030 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.336 123.552 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 161 L C 0.481 177.303 176.870 -0.079 0.000 1.014 161 L CA -0.879 53.918 54.840 -0.071 0.000 0.815 161 L CB 1.686 43.661 42.059 -0.140 0.000 1.247 161 L HN 0.645 nan 8.230 nan 0.000 0.421 162 E N 2.604 122.746 120.200 -0.096 0.000 2.259 162 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 162 E C -1.381 175.040 176.600 -0.299 0.000 1.037 162 E CA -0.455 55.757 56.400 -0.313 0.000 0.854 162 E CB 1.055 30.665 29.700 -0.149 0.000 1.051 162 E HN 0.595 nan 8.360 nan 0.000 0.409 163 C N 3.278 122.364 119.300 -0.356 0.000 2.614 163 C HA 0.451 4.911 4.460 -0.000 0.000 0.320 163 C C -0.008 174.880 174.990 -0.169 0.000 1.200 163 C CA -0.651 58.245 59.018 -0.204 0.000 1.700 163 C CB 1.698 29.358 27.740 -0.133 0.000 2.275 163 C HN 0.724 nan 8.230 nan 0.000 0.492 164 T N 1.804 116.302 114.554 -0.092 0.000 2.845 164 T HA 0.359 4.709 4.350 -0.000 0.000 0.288 164 T C -0.099 174.604 174.700 0.006 0.000 0.980 164 T CA -0.206 61.868 62.100 -0.044 0.000 1.071 164 T CB 0.867 69.722 68.868 -0.021 0.000 0.941 164 T HN 0.446 nan 8.240 nan 0.000 0.487 165 V N 4.342 124.266 119.914 0.016 0.000 2.389 165 V HA 0.147 4.267 4.120 -0.000 0.000 0.264 165 V C 1.783 177.905 176.094 0.046 0.000 1.049 165 V CA -0.036 62.290 62.300 0.044 0.000 0.932 165 V CB 0.571 32.416 31.823 0.037 0.000 1.011 165 V HN 1.187 nan 8.190 nan 0.000 0.475 166 T N 0.934 115.529 114.554 0.068 0.000 3.067 166 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 166 T C 0.605 175.321 174.700 0.027 0.000 1.105 166 T CA 0.361 62.497 62.100 0.061 0.000 1.104 166 T CB -0.082 68.847 68.868 0.101 0.000 0.925 166 T HN 0.703 nan 8.240 nan 0.000 0.498 167 N N -0.104 118.609 118.700 0.020 0.000 2.484 167 N HA 0.239 4.979 4.740 -0.000 0.000 0.269 167 N C -1.785 173.735 175.510 0.018 0.000 1.237 167 N CA -0.616 52.435 53.050 0.001 0.000 0.838 167 N CB 1.618 40.084 38.487 -0.035 0.000 1.593 167 N HN -0.022 nan 8.380 nan 0.000 0.485 168 S N 0.280 115.991 115.700 0.018 0.000 2.565 168 S HA 0.364 4.833 4.470 -0.000 0.000 0.276 168 S C -0.880 173.785 174.600 0.107 0.000 1.326 168 S CA 0.144 58.367 58.200 0.038 0.000 1.045 168 S CB -0.285 62.927 63.200 0.020 0.000 0.918 168 S HN 0.729 nan 8.310 nan 0.000 0.505 169 H N 0.266 119.302 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.775 4.556 -0.000 0.000 0.313 169 H C -1.099 174.171 175.328 -0.097 0.000 1.103 169 H CA -0.367 55.640 56.048 -0.068 0.000 1.437 169 H CB 0.405 30.129 29.762 -0.064 0.000 2.063 169 H HN 0.516 nan 8.280 nan 0.000 0.495 170 T N 5.980 120.258 114.554 -0.459 0.000 2.832 170 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 170 T C 0.388 174.698 174.700 -0.650 0.000 0.968 170 T CA -0.349 61.485 62.100 -0.444 0.000 1.107 170 T CB -0.224 68.466 68.868 -0.296 0.000 0.916 170 T HN 0.447 nan 8.240 nan 0.000 0.517 171 I N 0.517 120.788 120.570 -0.499 0.000 2.465 171 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 171 I C 0.319 176.232 176.117 -0.340 0.000 1.014 171 I CA -0.901 60.154 61.300 -0.407 0.000 1.093 171 I CB 2.036 39.838 38.000 -0.330 0.000 1.267 171 I HN 0.543 nan 8.210 nan 0.000 0.431 172 S N 2.686 118.311 115.700 -0.125 0.000 2.666 172 S HA 0.382 4.852 4.470 -0.000 0.000 0.279 172 S C -0.283 174.461 174.600 0.239 0.000 1.149 172 S CA -0.783 57.429 58.200 0.021 0.000 1.020 172 S CB 0.577 63.783 63.200 0.010 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.054 121.597 120.400 0.239 0.000 2.488 173 D HA 0.162 4.802 4.640 -0.000 0.000 0.238 173 D C 0.206 176.580 176.300 0.123 0.000 1.138 173 D CA 0.796 54.906 54.000 0.184 0.000 0.873 173 D CB -0.144 40.707 40.800 0.085 0.000 1.183 173 D HN 0.556 nan 8.370 nan 0.000 0.458 174 R N 0.251 120.798 120.500 0.079 0.000 3.332 174 R HA -0.236 4.104 4.340 -0.000 0.000 0.263 174 R C -0.210 176.145 176.300 0.092 0.000 1.053 174 R CA 0.276 56.417 56.100 0.070 0.000 0.705 174 R CB -1.243 29.086 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.241 120.818 120.500 0.129 0.000 2.615 175 R HA 0.315 4.655 4.340 -0.000 0.000 0.270 175 R C 1.018 177.378 176.300 0.101 0.000 1.081 175 R CA 0.851 57.019 56.100 0.113 0.000 1.154 175 R CB 0.631 31.005 30.300 0.125 0.000 1.063 175 R HN 0.321 nan 8.270 nan 0.000 0.519 176 G N 0.425 109.272 108.800 0.077 0.000 2.467 176 G HA2 0.406 4.366 3.960 -0.000 0.000 0.257 176 G HA3 0.406 4.366 3.960 -0.000 0.000 0.257 176 G C -0.859 174.090 174.900 0.081 0.000 1.227 176 G CA -0.324 44.807 45.100 0.053 0.000 0.835 176 G HN 0.490 nan 8.290 nan 0.000 0.556 177 V N 0.317 120.269 119.914 0.064 0.000 2.864 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 177 V C -0.484 175.646 176.094 0.059 0.000 1.073 177 V CA -1.303 61.057 62.300 0.099 0.000 0.956 177 V CB 2.017 33.914 31.823 0.124 0.000 1.023 177 V HN 0.775 nan 8.190 nan 0.000 0.435 178 N N 2.732 121.490 118.700 0.097 0.000 2.469 178 N HA 0.665 5.405 4.740 -0.000 0.000 0.286 178 N C -1.877 173.620 175.510 -0.022 0.000 1.275 178 N CA -0.567 52.507 53.050 0.040 0.000 0.790 178 N CB 2.115 40.647 38.487 0.074 0.000 1.446 178 N HN 0.507 nan 8.380 nan 0.000 0.501 179 L N 2.082 123.275 121.223 -0.050 0.000 2.480 179 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 179 L C -1.826 174.979 176.870 -0.107 0.000 1.324 179 L CA -1.533 53.264 54.840 -0.071 0.000 0.916 179 L CB 1.013 43.086 42.059 0.023 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.016 nan 4.420 nan 0.000 0.223 180 P C 1.090 178.311 177.300 -0.132 0.000 1.151 180 P CA 0.788 63.790 63.100 -0.164 0.000 0.787 180 P CB 0.509 32.057 31.700 -0.254 0.000 0.788 181 G N -1.583 107.143 108.800 -0.124 0.000 3.707 181 G HA2 0.255 4.215 3.960 -0.000 0.000 0.286 181 G HA3 0.255 4.215 3.960 -0.000 0.000 0.286 181 G C -0.453 174.368 174.900 -0.132 0.000 1.112 181 G CA -0.015 44.997 45.100 -0.148 0.000 0.861 181 G HN 0.240 nan 8.290 nan 0.000 0.534 182 C N 0.636 119.877 119.300 -0.099 0.000 2.547 182 C HA 0.410 4.870 4.460 -0.000 0.000 0.313 182 C C -0.939 174.045 174.990 -0.010 0.000 1.191 182 C CA -1.258 57.740 59.018 -0.034 0.000 1.474 182 C CB 1.878 29.626 27.740 0.014 0.000 2.081 182 C HN 0.373 nan 8.230 nan 0.000 0.476 183 D N 2.757 123.162 120.400 0.009 0.000 2.422 183 D HA 0.205 4.845 4.640 -0.000 0.000 0.227 183 D C 0.026 176.363 176.300 0.063 0.000 1.190 183 D CA 0.246 54.259 54.000 0.022 0.000 0.905 183 D CB 1.014 41.824 40.800 0.017 0.000 1.034 183 D HN 0.220 nan 8.370 nan 0.000 0.507 184 V N 2.971 122.914 119.914 0.049 0.000 2.555 184 V HA 0.031 4.151 4.120 -0.000 0.000 0.286 184 V C 0.849 176.972 176.094 0.048 0.000 1.044 184 V CA -0.140 62.200 62.300 0.068 0.000 1.026 184 V CB 1.287 33.137 31.823 0.046 0.000 0.981 184 V HN 0.476 nan 8.190 nan 0.000 0.480 185 D N 3.442 123.939 120.400 0.161 0.000 2.696 185 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 185 D C 0.155 176.543 176.300 0.148 0.000 1.319 185 D CA -0.424 53.655 54.000 0.131 0.000 0.826 185 D CB -0.199 40.685 40.800 0.140 0.000 1.086 185 D HN 0.361 nan 8.370 nan 0.000 0.481 186 L N 0.473 121.750 121.223 0.089 0.000 2.529 186 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 186 L C -1.605 175.313 176.870 0.080 0.000 1.241 186 L CA -1.224 53.669 54.840 0.089 0.000 0.857 186 L CB -0.259 41.822 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.005 nan 4.420 nan 0.000 0.269 187 P C 0.026 177.362 177.300 0.061 0.000 1.217 187 P CA -0.175 62.962 63.100 0.061 0.000 0.783 187 P CB 0.612 32.349 31.700 0.062 0.000 0.898 188 A N 1.399 124.245 122.820 0.044 0.000 1.930 188 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 188 A C 0.809 178.430 177.584 0.061 0.000 1.175 188 A CA 1.428 53.491 52.037 0.043 0.000 0.627 188 A CB -0.493 18.521 19.000 0.024 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 V N 1.110 121.056 119.914 0.053 0.000 2.483 189 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 189 V C 0.389 176.515 176.094 0.053 0.000 1.027 189 V CA -0.306 62.025 62.300 0.051 0.000 0.855 189 V CB 1.456 33.302 31.823 0.039 0.000 0.995 189 V HN 0.570 nan 8.190 nan 0.000 0.424 190 S N 4.635 120.368 115.700 0.056 0.000 2.617 190 S HA 0.476 4.946 4.470 -0.000 0.000 0.259 190 S C 1.482 176.113 174.600 0.051 0.000 1.301 190 S CA 0.249 58.481 58.200 0.053 0.000 0.984 190 S CB 1.403 64.632 63.200 0.049 0.000 0.954 190 S HN 1.074 nan 8.310 nan 0.000 0.572 191 A N 0.837 123.687 122.820 0.049 0.000 1.930 191 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 191 A C 2.188 179.804 177.584 0.053 0.000 1.175 191 A CA 1.616 53.681 52.037 0.047 0.000 0.627 191 A CB -0.900 18.124 19.000 0.041 0.000 0.815 191 A HN 0.917 nan 8.150 nan 0.000 0.443 192 K N -0.394 120.038 120.400 0.054 0.000 2.057 192 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 192 K C 1.239 177.902 176.600 0.105 0.000 1.049 192 K CA 1.664 57.992 56.287 0.069 0.000 0.931 192 K CB -0.259 32.277 32.500 0.060 0.000 0.714 192 K HN 0.355 nan 8.250 nan 0.000 0.440 193 D N 0.536 120.985 120.400 0.083 0.000 2.123 193 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 193 D C 2.020 178.357 176.300 0.062 0.000 0.992 193 D CA 1.069 55.109 54.000 0.067 0.000 0.833 193 D CB -0.134 40.695 40.800 0.047 0.000 0.954 193 D HN 0.208 nan 8.370 nan 0.000 0.455 194 R N 0.156 120.694 120.500 0.063 0.000 2.091 194 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 194 R C 2.190 178.543 176.300 0.088 0.000 1.136 194 R CA 0.763 56.900 56.100 0.060 0.000 0.959 194 R CB -0.149 30.183 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.785 120.772 119.914 0.121 0.000 2.871 195 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 195 V C 1.185 177.445 176.094 0.276 0.000 1.082 195 V CA 1.533 63.947 62.300 0.190 0.000 1.105 195 V CB -0.228 31.693 31.823 0.163 0.000 0.713 195 V HN 0.286 nan 8.190 nan 0.000 0.473 196 D N 0.105 120.625 120.400 0.201 0.000 2.137 196 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 196 D C 2.146 178.423 176.300 -0.038 0.000 0.970 196 D CA 0.954 55.027 54.000 0.122 0.000 0.837 196 D CB -0.100 40.734 40.800 0.057 0.000 0.981 196 D HN 0.300 nan 8.370 nan 0.000 0.475 197 L N 0.396 121.608 121.223 -0.019 0.000 2.046 197 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 197 L C 2.456 179.322 176.870 -0.007 0.000 1.077 197 L CA 0.942 55.757 54.840 -0.042 0.000 0.747 197 L CB -0.267 41.779 42.059 -0.022 0.000 0.896 197 L HN 0.002 nan 8.230 nan 0.000 0.432 198 Q N 0.034 119.863 119.800 0.048 0.000 2.084 198 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 198 Q C 2.005 178.041 176.000 0.060 0.000 0.978 198 Q CA 1.824 57.660 55.803 0.056 0.000 0.844 198 Q CB -0.463 28.328 28.738 0.087 0.000 0.898 198 Q HN 0.447 nan 8.270 nan 0.000 0.426 199 F N -0.368 119.544 119.950 -0.063 0.000 2.134 199 F HA -0.009 4.518 4.527 -0.000 0.000 0.299 199 F C 1.823 177.543 175.800 -0.134 0.000 1.097 199 F CA 1.864 59.793 58.000 -0.118 0.000 1.264 199 F CB -0.592 38.207 39.000 -0.335 0.000 1.001 199 F HN 0.160 nan 8.300 nan 0.000 0.479 200 G N -0.016 108.738 108.800 -0.076 0.000 2.418 200 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G C 1.701 176.490 174.900 -0.185 0.000 1.158 200 G CA 1.160 46.156 45.100 -0.172 0.000 0.771 200 G HN 0.343 nan 8.290 nan 0.000 0.545 201 V N 0.702 120.537 119.914 -0.131 0.000 2.343 201 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 201 V C 2.650 178.663 176.094 -0.134 0.000 1.051 201 V CA 2.245 64.480 62.300 -0.107 0.000 1.036 201 V CB -0.566 31.219 31.823 -0.064 0.000 0.654 201 V HN 0.451 nan 8.190 nan 0.000 0.451 202 E N -0.273 119.827 120.200 -0.168 0.000 2.077 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 202 E C 2.040 178.495 176.600 -0.241 0.000 0.989 202 E CA 1.057 57.348 56.400 -0.182 0.000 0.800 202 E CB -0.085 29.506 29.700 -0.183 0.000 0.746 202 E HN 0.488 nan 8.360 nan 0.000 0.452 203 Q N -0.651 118.924 119.800 -0.375 0.000 2.320 203 Q HA 0.110 4.450 4.340 -0.000 0.000 0.201 203 Q C 0.599 176.474 176.000 -0.209 0.000 0.910 203 Q CA 0.577 56.176 55.803 -0.338 0.000 0.946 203 Q CB 0.868 29.292 28.738 -0.524 0.000 1.062 203 Q HN 0.369 nan 8.270 nan 0.000 0.503 204 G N 1.460 110.156 108.800 -0.174 0.000 2.295 204 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G C 0.385 175.219 174.900 -0.110 0.000 1.055 204 G CA 0.400 45.427 45.100 -0.122 0.000 0.922 204 G HN 0.375 nan 8.290 nan 0.000 0.503 205 V N -2.699 117.140 119.914 -0.125 0.000 2.843 205 V HA 0.334 4.454 4.120 -0.000 0.000 0.305 205 V C 1.351 177.387 176.094 -0.096 0.000 1.065 205 V CA 0.535 62.768 62.300 -0.111 0.000 1.116 205 V CB 1.012 32.757 31.823 -0.130 0.000 0.968 205 V HN 0.246 nan 8.190 nan 0.000 0.487 206 D N 3.555 123.902 120.400 -0.089 0.000 2.117 206 D HA 0.013 4.653 4.640 -0.000 0.000 0.198 206 D C 0.798 177.056 176.300 -0.070 0.000 0.982 206 D CA 2.126 56.084 54.000 -0.070 0.000 0.828 206 D CB 0.114 40.881 40.800 -0.055 0.000 0.967 206 D HN 0.834 nan 8.370 nan 0.000 0.464 207 M N -0.811 118.720 119.600 -0.114 0.000 2.622 207 M HA 0.460 4.940 4.480 -0.000 0.000 0.276 207 M C -1.668 174.520 176.300 -0.187 0.000 1.265 207 M CA -0.914 54.322 55.300 -0.105 0.000 0.850 207 M CB 2.997 35.569 32.600 -0.048 0.000 1.720 207 M HN -0.374 nan 8.290 nan 0.000 0.465 208 I N 2.412 122.923 120.570 -0.097 0.000 2.378 208 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 208 I C -1.326 174.855 176.117 0.107 0.000 0.992 208 I CA -0.374 60.871 61.300 -0.091 0.000 1.154 208 I CB 1.457 39.431 38.000 -0.043 0.000 1.315 208 I HN 0.597 nan 8.210 nan 0.000 0.448 209 F N 4.558 124.498 119.950 -0.017 0.000 2.368 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.362 209 F C 0.869 176.672 175.800 0.005 0.000 1.137 209 F CA -1.446 56.556 58.000 0.003 0.000 1.161 209 F CB 0.721 39.732 39.000 0.019 0.000 1.265 209 F HN 0.455 nan 8.300 nan 0.000 0.530 210 A N 3.148 126.081 122.820 0.188 0.000 2.310 210 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 210 A C 0.511 178.165 177.584 0.115 0.000 1.269 210 A CA -0.351 51.754 52.037 0.113 0.000 0.909 210 A CB -0.105 18.941 19.000 0.077 0.000 1.144 210 A HN 0.598 nan 8.150 nan 0.000 0.540 211 S N 1.461 117.237 115.700 0.127 0.000 2.579 211 S HA 0.319 4.789 4.470 -0.000 0.000 0.275 211 S C 0.249 174.986 174.600 0.228 0.000 1.345 211 S CA 0.032 58.325 58.200 0.155 0.000 1.031 211 S CB -0.153 63.127 63.200 0.133 0.000 0.892 211 S HN 1.203 nan 8.310 nan 0.000 0.529 212 F N 0.941 120.901 119.950 0.015 0.000 2.943 212 F HA -0.165 4.362 4.527 -0.000 0.000 0.258 212 F C -0.409 175.393 175.800 0.005 0.000 0.995 212 F CA -0.283 57.720 58.000 0.006 0.000 0.896 212 F CB -1.158 37.840 39.000 -0.003 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 4.001 124.559 120.570 -0.021 0.000 2.347 213 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 213 I C 1.552 177.578 176.117 -0.152 0.000 1.090 213 I CA -0.096 61.162 61.300 -0.070 0.000 1.314 213 I CB 0.779 38.767 38.000 -0.020 0.000 1.423 213 I HN 0.251 nan 8.210 nan 0.000 0.503 214 R N 4.262 124.629 120.500 -0.222 0.000 2.115 214 R HA -0.014 4.325 4.340 -0.000 0.000 0.226 214 R C 0.687 176.924 176.300 -0.106 0.000 1.100 214 R CA 0.467 56.448 56.100 -0.199 0.000 0.980 214 R CB -0.478 29.680 30.300 -0.237 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.236 113.418 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 215 S C 0.426 175.007 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.826 58.200 -0.048 0.000 0.827 215 S CB 1.763 64.940 63.200 -0.040 0.000 1.130 215 S HN 0.060 nan 8.310 nan 0.000 0.467 216 A N 0.805 123.610 122.820 -0.025 0.000 1.933 216 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 216 A C 1.948 179.525 177.584 -0.012 0.000 1.175 216 A CA 1.836 53.863 52.037 -0.017 0.000 0.628 216 A CB -1.139 17.851 19.000 -0.016 0.000 0.814 216 A HN 1.007 nan 8.150 nan 0.000 0.444 217 E N -0.424 119.769 120.200 -0.013 0.000 2.110 217 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 217 E C 2.133 178.730 176.600 -0.005 0.000 0.988 217 E CA 1.353 57.748 56.400 -0.008 0.000 0.804 217 E CB -0.223 29.473 29.700 -0.007 0.000 0.745 217 E HN 0.754 nan 8.360 nan 0.000 0.458 218 Q N 0.169 119.963 119.800 -0.010 0.000 2.124 218 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 218 Q C 2.229 178.229 176.000 0.000 0.000 0.977 218 Q CA 1.726 57.526 55.803 -0.006 0.000 0.850 218 Q CB 0.174 28.901 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.146 120.059 119.914 -0.002 0.000 2.343 219 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 219 V C 2.315 178.412 176.094 0.004 0.000 1.051 219 V CA 1.859 64.161 62.300 0.003 0.000 1.036 219 V CB -1.283 30.540 31.823 0.001 0.000 0.654 219 V HN 0.575 nan 8.190 nan 0.000 0.451 220 G N -0.191 108.611 108.800 0.002 0.000 2.422 220 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G C 1.226 176.129 174.900 0.005 0.000 1.146 220 G CA 1.008 46.109 45.100 0.003 0.000 0.769 220 G HN 0.502 nan 8.290 nan 0.000 0.547 221 D N 0.255 120.659 120.400 0.006 0.000 2.144 221 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 221 D C 2.754 179.061 176.300 0.011 0.000 0.984 221 D CA 0.641 54.647 54.000 0.010 0.000 0.834 221 D CB -0.332 40.476 40.800 0.012 0.000 0.955 221 D HN 0.223 nan 8.370 nan 0.000 0.465 222 V N 0.904 120.824 119.914 0.010 0.000 2.343 222 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 222 V C 2.479 178.576 176.094 0.005 0.000 1.051 222 V CA 1.360 63.665 62.300 0.009 0.000 1.036 222 V CB -0.387 31.443 31.823 0.012 0.000 0.654 222 V HN 0.038 nan 8.190 nan 0.000 0.451 223 R N 0.997 121.500 120.500 0.005 0.000 2.096 223 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 223 R C 2.233 178.534 176.300 0.002 0.000 1.127 223 R CA 1.930 58.032 56.100 0.003 0.000 0.968 223 R CB -0.503 29.799 30.300 0.004 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.801 119.602 120.400 0.005 0.000 2.103 224 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 224 K C 1.811 178.416 176.600 0.007 0.000 1.052 224 K CA 1.116 57.407 56.287 0.006 0.000 0.945 224 K CB -0.155 32.349 32.500 0.008 0.000 0.722 224 K HN 0.212 nan 8.250 nan 0.000 0.443 225 A N 1.251 124.076 122.820 0.008 0.000 1.972 225 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 225 A C 2.037 179.624 177.584 0.005 0.000 1.169 225 A CA 1.091 53.134 52.037 0.010 0.000 0.635 225 A CB -0.530 18.477 19.000 0.013 0.000 0.810 225 A HN 0.314 nan 8.150 nan 0.000 0.446 226 L N -1.332 119.890 121.223 -0.002 0.000 2.093 226 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 226 L C 1.652 178.518 176.870 -0.007 0.000 1.085 226 L CA 0.693 55.527 54.840 -0.010 0.000 0.755 226 L CB -1.012 41.038 42.059 -0.015 0.000 0.904 226 L HN 0.690 nan 8.230 nan 0.000 0.435 227 G N -0.824 107.974 108.800 -0.002 0.000 2.681 227 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G C -2.135 172.763 174.900 -0.002 0.000 1.353 227 G CA -0.245 44.854 45.100 -0.000 0.000 0.872 227 G HN 0.050 nan 8.290 nan 0.000 0.557 228 P HA 0.024 nan 4.420 nan 0.000 0.216 228 P C 1.842 179.139 177.300 -0.005 0.000 1.153 228 P CA 1.666 64.765 63.100 -0.001 0.000 0.848 228 P CB 0.026 31.727 31.700 0.001 0.000 0.787 229 K N -0.770 119.626 120.400 -0.007 0.000 2.209 229 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 229 K C 1.894 178.483 176.600 -0.019 0.000 1.048 229 K CA 1.492 57.771 56.287 -0.013 0.000 0.940 229 K CB -0.817 31.674 32.500 -0.016 0.000 0.729 229 K HN 0.211 nan 8.250 nan 0.000 0.451 230 G N 1.581 110.370 108.800 -0.018 0.000 3.337 230 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G C 1.282 176.172 174.900 -0.016 0.000 1.131 230 G CA -0.375 44.711 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.016 120.510 120.500 -0.010 0.000 2.152 231 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 231 R C 0.486 176.784 176.300 -0.003 0.000 1.117 231 R CA 1.380 57.477 56.100 -0.005 0.000 0.981 231 R CB -0.129 30.171 30.300 -0.001 0.000 0.870 231 R HN 0.026 nan 8.270 nan 0.000 0.451 232 D N 0.876 121.273 120.400 -0.006 0.000 2.340 232 D HA 0.204 4.844 4.640 -0.000 0.000 0.217 232 D C 0.225 176.520 176.300 -0.008 0.000 1.081 232 D CA 0.106 54.104 54.000 -0.003 0.000 0.842 232 D CB 0.226 41.025 40.800 -0.001 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.119 121.680 120.570 -0.015 0.000 2.441 233 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 233 I C 0.751 176.863 176.117 -0.008 0.000 1.049 233 I CA -0.338 60.949 61.300 -0.022 0.000 1.381 233 I CB 0.946 38.922 38.000 -0.039 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.660 126.260 119.600 -0.000 0.000 2.200 234 M HA 0.325 4.805 4.480 -0.000 0.000 0.355 234 M C -0.468 175.851 176.300 0.032 0.000 1.283 234 M CA 0.203 55.516 55.300 0.021 0.000 1.124 234 M CB 0.587 33.210 32.600 0.037 0.000 1.625 234 M HN 0.391 nan 8.290 nan 0.000 0.463 235 I N 4.891 125.484 120.570 0.038 0.000 2.306 235 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 235 I C -0.498 175.665 176.117 0.077 0.000 1.036 235 I CA -0.594 60.738 61.300 0.053 0.000 1.221 235 I CB 0.614 38.634 38.000 0.032 0.000 1.385 235 I HN 0.463 nan 8.210 nan 0.000 0.472 236 I N 5.766 126.418 120.570 0.137 0.000 2.315 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 236 I C 0.023 176.192 176.117 0.087 0.000 1.006 236 I CA -0.443 60.934 61.300 0.127 0.000 1.265 236 I CB 1.039 39.173 38.000 0.223 0.000 1.387 236 I HN 0.538 nan 8.210 nan 0.000 0.475 237 C N 6.697 126.016 119.300 0.032 0.000 2.265 237 C HA 0.305 4.765 4.460 -0.000 0.000 0.332 237 C C 0.802 175.789 174.990 -0.005 0.000 1.248 237 C CA -1.060 57.971 59.018 0.021 0.000 1.727 237 C CB -0.469 27.277 27.740 0.010 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.545 123.950 120.400 0.009 0.000 2.339 238 K HA 0.391 4.711 4.320 -0.000 0.000 0.286 238 K C -0.296 176.316 176.600 0.019 0.000 1.050 238 K CA 0.003 56.290 56.287 0.000 0.000 0.956 238 K CB 0.505 33.022 32.500 0.030 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.042 124.615 120.570 0.005 0.000 2.306 239 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 239 I C 0.680 176.820 176.117 0.037 0.000 1.036 239 I CA 0.130 61.435 61.300 0.008 0.000 1.221 239 I CB 0.749 38.741 38.000 -0.013 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.020 124.269 120.200 0.081 0.000 2.606 240 E HA 0.072 4.422 4.350 -0.000 0.000 0.224 240 E C -0.142 176.555 176.600 0.162 0.000 0.930 240 E CA -0.117 56.364 56.400 0.134 0.000 1.125 240 E CB 0.677 30.500 29.700 0.205 0.000 1.123 240 E HN 0.718 nan 8.360 nan 0.000 0.522 241 N N -0.802 117.967 118.700 0.115 0.000 3.038 241 N HA 0.073 4.813 4.740 -0.000 0.000 0.307 241 N C 0.450 176.001 175.510 0.068 0.000 1.441 241 N CA -0.643 52.477 53.050 0.117 0.000 0.772 241 N CB 0.431 39.000 38.487 0.136 0.000 1.651 241 N HN -0.178 nan 8.380 nan 0.000 0.593 242 H N -0.808 118.261 119.070 -0.002 0.000 2.321 242 H HA 0.025 4.581 4.556 -0.000 0.000 0.300 242 H C 1.486 176.793 175.328 -0.036 0.000 1.087 242 H CA 2.137 58.178 56.048 -0.013 0.000 1.319 242 H CB 0.272 30.030 29.762 -0.006 0.000 1.379 242 H HN 0.609 nan 8.280 nan 0.000 0.501 243 Q N -0.835 119.011 119.800 0.076 0.000 2.084 243 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 243 Q C 2.511 178.470 176.000 -0.068 0.000 0.978 243 Q CA 1.097 56.898 55.803 -0.004 0.000 0.844 243 Q CB -0.186 28.523 28.738 -0.048 0.000 0.898 243 Q HN 0.654 nan 8.270 nan 0.000 0.426 244 G N -0.114 108.632 108.800 -0.090 0.000 2.418 244 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 244 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 244 G C 1.455 176.310 174.900 -0.076 0.000 1.158 244 G CA 0.899 45.948 45.100 -0.084 0.000 0.771 244 G HN 0.228 nan 8.290 nan 0.000 0.545 245 V N 0.727 120.585 119.914 -0.094 0.000 2.343 245 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 245 V C 2.770 178.793 176.094 -0.118 0.000 1.051 245 V CA 2.244 64.479 62.300 -0.108 0.000 1.036 245 V CB -0.476 31.259 31.823 -0.147 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.303 120.015 119.800 -0.146 0.000 2.124 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.254 177.215 176.000 -0.065 0.000 0.977 246 Q CA 1.570 57.306 55.803 -0.112 0.000 0.850 246 Q CB -0.066 28.615 28.738 -0.095 0.000 0.901 246 Q HN 0.598 nan 8.270 nan 0.000 0.429 247 N N 0.767 119.432 118.700 -0.058 0.000 2.295 247 N HA 0.019 4.759 4.740 -0.000 0.000 0.221 247 N C 1.032 176.517 175.510 -0.041 0.000 1.129 247 N CA 0.008 53.032 53.050 -0.043 0.000 0.836 247 N CB 0.348 38.811 38.487 -0.041 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.259 121.803 120.570 -0.044 0.000 2.226 248 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 248 I C 1.400 177.500 176.117 -0.029 0.000 1.100 248 I CA 1.611 62.889 61.300 -0.037 0.000 1.374 248 I CB 0.048 38.025 38.000 -0.039 0.000 1.057 248 I HN 0.011 nan 8.210 nan 0.000 0.413 249 D N -0.084 120.299 120.400 -0.028 0.000 2.097 249 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 249 D C 2.450 178.737 176.300 -0.022 0.000 0.989 249 D CA 1.840 55.826 54.000 -0.023 0.000 0.827 249 D CB -0.438 40.348 40.800 -0.023 0.000 0.966 249 D HN 0.515 nan 8.370 nan 0.000 0.456 250 S N 0.560 116.247 115.700 -0.023 0.000 2.382 250 S HA -0.107 4.362 4.470 -0.000 0.000 0.228 250 S C 2.295 176.884 174.600 -0.019 0.000 1.027 250 S CA 0.523 58.711 58.200 -0.021 0.000 0.991 250 S CB -0.659 62.529 63.200 -0.021 0.000 0.823 250 S HN 0.231 nan 8.310 nan 0.000 0.469 251 I N 1.320 121.876 120.570 -0.022 0.000 2.226 251 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 251 I C 2.454 178.563 176.117 -0.014 0.000 1.100 251 I CA 1.260 62.548 61.300 -0.020 0.000 1.374 251 I CB -0.368 37.617 38.000 -0.025 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.237 120.798 120.570 -0.016 0.000 2.226 252 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 252 I C 2.640 178.752 176.117 -0.009 0.000 1.100 252 I CA 1.116 62.408 61.300 -0.012 0.000 1.374 252 I CB -0.317 37.675 38.000 -0.014 0.000 1.057 252 I HN 0.244 nan 8.210 nan 0.000 0.413 253 E N 0.745 120.938 120.200 -0.012 0.000 2.038 253 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 253 E C 2.081 178.677 176.600 -0.007 0.000 1.000 253 E CA 1.382 57.775 56.400 -0.011 0.000 0.803 253 E CB -0.142 29.549 29.700 -0.015 0.000 0.750 253 E HN 0.363 nan 8.360 nan 0.000 0.448 254 E N 0.850 121.045 120.200 -0.007 0.000 2.106 254 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 254 E C 1.333 177.934 176.600 0.002 0.000 0.984 254 E CA 0.426 56.824 56.400 -0.004 0.000 0.806 254 E CB -0.446 29.251 29.700 -0.005 0.000 0.750 254 E HN 0.200 nan 8.360 nan 0.000 0.458 255 S N 0.474 116.175 115.700 0.002 0.000 2.634 255 S HA 0.097 4.567 4.470 -0.000 0.000 0.261 255 S C 0.611 175.219 174.600 0.013 0.000 1.271 255 S CA -0.475 57.731 58.200 0.009 0.000 0.985 255 S CB 1.072 64.278 63.200 0.009 0.000 0.968 255 S HN -0.090 nan 8.310 nan 0.000 0.568 256 D N 0.219 120.632 120.400 0.021 0.000 2.369 256 D HA 0.329 4.969 4.640 -0.000 0.000 0.211 256 D C 0.758 177.073 176.300 0.026 0.000 1.077 256 D CA 0.678 54.692 54.000 0.024 0.000 0.842 256 D CB 0.593 41.412 40.800 0.032 0.000 0.947 256 D HN 0.784 nan 8.370 nan 0.000 0.509 257 G N 0.263 109.076 108.800 0.023 0.000 2.316 257 G HA2 0.346 4.306 3.960 -0.000 0.000 0.296 257 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 257 G C -1.949 172.952 174.900 0.001 0.000 1.399 257 G CA -0.686 44.423 45.100 0.014 0.000 0.833 257 G HN -0.071 nan 8.290 nan 0.000 0.565 258 I N 0.558 121.116 120.570 -0.019 0.000 2.647 258 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 258 I C -0.268 175.803 176.117 -0.077 0.000 1.078 258 I CA -0.752 60.526 61.300 -0.037 0.000 1.048 258 I CB 2.007 39.991 38.000 -0.027 0.000 1.239 258 I HN 0.605 nan 8.210 nan 0.000 0.421 259 M N 5.211 124.750 119.600 -0.102 0.000 2.294 259 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 259 M C -1.188 175.067 176.300 -0.075 0.000 1.079 259 M CA -0.789 54.429 55.300 -0.136 0.000 0.982 259 M CB 1.763 34.217 32.600 -0.242 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.894 124.772 119.914 -0.059 0.000 2.313 260 V HA 0.252 4.372 4.120 -0.000 0.000 0.252 260 V C 0.529 176.609 176.094 -0.023 0.000 1.112 260 V CA -0.464 61.818 62.300 -0.030 0.000 0.984 260 V CB 0.011 31.823 31.823 -0.019 0.000 1.157 260 V HN 0.871 nan 8.190 nan 0.000 0.493 261 A N 5.443 128.256 122.820 -0.011 0.000 2.922 261 A HA 0.331 4.651 4.320 -0.000 0.000 0.298 261 A C 1.476 179.074 177.584 0.023 0.000 1.588 261 A CA -0.329 51.711 52.037 0.004 0.000 1.288 261 A CB -0.306 18.707 19.000 0.023 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.553 122.063 120.500 0.017 0.000 2.092 262 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 262 R C 2.298 178.619 176.300 0.035 0.000 1.119 262 R CA 1.441 57.556 56.100 0.024 0.000 0.970 262 R CB -0.096 30.215 30.300 0.017 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.347 110.169 108.800 0.037 0.000 2.433 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G C 0.974 175.905 174.900 0.051 0.000 1.186 263 G CA 0.950 46.076 45.100 0.042 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.240 120.674 120.400 0.056 0.000 2.117 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 264 D C 2.478 178.830 176.300 0.088 0.000 0.987 264 D CA 0.350 54.391 54.000 0.068 0.000 0.829 264 D CB -0.089 40.752 40.800 0.069 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.950 122.221 121.223 0.079 0.000 2.083 265 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 265 L C 2.415 179.330 176.870 0.074 0.000 1.083 265 L CA 1.397 56.283 54.840 0.077 0.000 0.752 265 L CB -0.543 41.547 42.059 0.053 0.000 0.899 265 L HN 0.048 nan 8.230 nan 0.000 0.433 266 G N -0.868 107.970 108.800 0.064 0.000 2.422 266 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G C 1.489 176.435 174.900 0.078 0.000 1.146 266 G CA 1.018 46.154 45.100 0.059 0.000 0.769 266 G HN 0.336 nan 8.290 nan 0.000 0.547 267 V N 0.620 120.592 119.914 0.097 0.000 2.323 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.244 267 V C 2.639 178.838 176.094 0.176 0.000 1.041 267 V CA 1.713 64.103 62.300 0.150 0.000 1.025 267 V CB -0.503 31.416 31.823 0.161 0.000 0.656 267 V HN 0.255 nan 8.190 nan 0.000 0.451 268 E N -0.079 120.201 120.200 0.134 0.000 2.110 268 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 268 E C 0.443 177.114 176.600 0.119 0.000 0.988 268 E CA 0.951 57.422 56.400 0.118 0.000 0.804 268 E CB 0.094 29.879 29.700 0.141 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.484 121.124 120.570 0.116 0.000 2.689 269 I HA 0.205 4.375 4.170 -0.000 0.000 0.299 269 I C -2.509 173.663 176.117 0.092 0.000 1.059 269 I CA -2.827 58.541 61.300 0.112 0.000 1.055 269 I CB 2.256 40.312 38.000 0.093 0.000 1.243 269 I HN -0.268 nan 8.210 nan 0.000 0.425 270 P HA 0.146 nan 4.420 nan 0.000 0.271 270 P C -0.099 177.230 177.300 0.048 0.000 1.216 270 P CA -0.172 62.966 63.100 0.063 0.000 0.776 270 P CB 0.883 32.615 31.700 0.053 0.000 0.881 271 A N 3.955 126.798 122.820 0.039 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.838 179.436 177.584 0.024 0.000 1.181 271 A CA 1.466 53.521 52.037 0.030 0.000 0.623 271 A CB -1.068 17.946 19.000 0.022 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.571 120.783 120.200 0.020 0.000 2.333 272 E HA -0.208 4.141 4.350 -0.000 0.000 0.198 272 E C 1.482 178.092 176.600 0.017 0.000 1.007 272 E CA 1.486 57.896 56.400 0.016 0.000 0.845 272 E CB -0.281 29.427 29.700 0.013 0.000 0.766 272 E HN 0.630 nan 8.360 nan 0.000 0.507 273 K N 0.494 120.908 120.400 0.022 0.000 2.243 273 K HA 0.052 4.372 4.320 -0.000 0.000 0.201 273 K C 2.129 178.738 176.600 0.015 0.000 1.051 273 K CA 0.647 56.945 56.287 0.019 0.000 0.970 273 K CB 0.216 32.731 32.500 0.026 0.000 0.755 273 K HN -0.058 nan 8.250 nan 0.000 0.465 274 V N 0.978 120.904 119.914 0.019 0.000 2.453 274 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 274 V C 2.095 178.196 176.094 0.012 0.000 1.068 274 V CA 1.511 63.821 62.300 0.017 0.000 1.070 274 V CB -0.458 31.378 31.823 0.022 0.000 0.664 274 V HN 0.088 nan 8.190 nan 0.000 0.461 275 V N -0.302 119.620 119.914 0.013 0.000 2.295 275 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 275 V C 2.402 178.501 176.094 0.008 0.000 1.049 275 V CA 1.972 64.280 62.300 0.012 0.000 1.024 275 V CB -0.498 31.334 31.823 0.014 0.000 0.648 275 V HN 0.435 nan 8.190 nan 0.000 0.447 276 V N 0.442 120.358 119.914 0.004 0.000 2.343 276 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 276 V C 2.724 178.814 176.094 -0.006 0.000 1.051 276 V CA 1.954 64.253 62.300 -0.002 0.000 1.036 276 V CB -1.233 30.587 31.823 -0.004 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.791 122.025 122.820 -0.006 0.000 1.933 277 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 277 A C 2.264 179.844 177.584 -0.006 0.000 1.175 277 A CA 2.142 54.172 52.037 -0.012 0.000 0.628 277 A CB -0.531 18.461 19.000 -0.013 0.000 0.814 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 Q N -0.276 119.524 119.800 0.001 0.000 2.050 278 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 278 Q C 2.026 178.032 176.000 0.009 0.000 0.980 278 Q CA 1.927 57.733 55.803 0.005 0.000 0.840 278 Q CB -0.120 28.624 28.738 0.011 0.000 0.898 278 Q HN 0.684 nan 8.270 nan 0.000 0.424 279 K N -0.016 120.389 120.400 0.008 0.000 2.057 279 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 279 K C 2.058 178.659 176.600 0.001 0.000 1.049 279 K CA 1.466 57.757 56.287 0.007 0.000 0.931 279 K CB -0.121 32.380 32.500 0.001 0.000 0.714 279 K HN 0.245 nan 8.250 nan 0.000 0.440 280 I N 0.651 121.217 120.570 -0.006 0.000 2.202 280 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 280 I C 1.942 178.055 176.117 -0.008 0.000 1.091 280 I CA 0.932 62.226 61.300 -0.011 0.000 1.368 280 I CB -0.147 37.842 38.000 -0.018 0.000 1.058 280 I HN 0.038 nan 8.210 nan 0.000 0.410 281 L N 0.150 121.368 121.223 -0.008 0.000 2.093 281 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 281 L C 2.314 179.185 176.870 0.001 0.000 1.085 281 L CA 1.762 56.597 54.840 -0.008 0.000 0.755 281 L CB -0.579 41.472 42.059 -0.013 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.599 118.978 120.570 0.011 0.000 2.252 282 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 282 I C 2.413 178.555 176.117 0.042 0.000 1.102 282 I CA 1.091 62.408 61.300 0.028 0.000 1.385 282 I CB -0.287 37.739 38.000 0.043 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 S N 0.525 116.245 115.700 0.033 0.000 2.368 283 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 283 S C 1.963 176.576 174.600 0.022 0.000 1.030 283 S CA 1.274 59.495 58.200 0.034 0.000 0.999 283 S CB -0.137 63.067 63.200 0.006 0.000 0.844 283 S HN 0.346 nan 8.310 nan 0.000 0.459 284 K N 0.217 120.621 120.400 0.007 0.000 2.097 284 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 284 K C 2.304 178.904 176.600 0.000 0.000 1.049 284 K CA 1.230 57.517 56.287 -0.001 0.000 0.933 284 K CB -0.314 32.181 32.500 -0.008 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.879 120.181 119.300 0.004 0.000 2.446 285 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 285 C C 2.182 177.172 174.990 0.001 0.000 1.275 285 C CA 0.782 59.800 59.018 0.001 0.000 1.727 285 C CB -1.209 26.532 27.740 0.001 0.000 2.010 285 C HN 0.544 nan 8.230 nan 0.000 0.486 286 N N 0.517 119.230 118.700 0.020 0.000 2.120 286 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 286 N C 1.574 177.076 175.510 -0.014 0.000 1.024 286 N CA 1.204 54.267 53.050 0.021 0.000 0.852 286 N CB -0.129 38.430 38.487 0.119 0.000 1.003 286 N HN 0.280 nan 8.380 nan 0.000 0.424 287 V N 1.273 121.187 119.914 -0.001 0.000 2.358 287 V HA -0.167 3.952 4.120 -0.000 0.000 0.246 287 V C 2.176 178.252 176.094 -0.030 0.000 1.047 287 V CA 1.784 64.073 62.300 -0.019 0.000 1.035 287 V CB -0.680 31.140 31.823 -0.005 0.000 0.658 287 V HN 0.361 nan 8.190 nan 0.000 0.452 288 A N -0.416 122.392 122.820 -0.020 0.000 2.168 288 A HA 0.279 4.598 4.320 -0.000 0.000 0.215 288 A C 1.927 179.498 177.584 -0.021 0.000 1.152 288 A CA 1.011 53.039 52.037 -0.016 0.000 0.716 288 A CB -0.770 18.224 19.000 -0.010 0.000 0.794 288 A HN 1.287 nan 8.150 nan 0.000 0.465 289 G N -0.473 108.302 108.800 -0.041 0.000 2.273 289 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.280 289 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.280 289 G C -0.044 174.846 174.900 -0.017 0.000 1.047 289 G CA 0.783 45.858 45.100 -0.042 0.000 0.869 289 G HN 0.626 nan 8.290 nan 0.000 0.502 290 K N 0.325 120.718 120.400 -0.012 0.000 2.318 290 K HA 0.525 4.845 4.320 -0.000 0.000 0.249 290 K C -2.562 174.037 176.600 -0.002 0.000 0.942 290 K CA -2.252 54.034 56.287 -0.002 0.000 0.808 290 K CB 2.749 35.249 32.500 0.001 0.000 1.189 290 K HN -0.035 nan 8.250 nan 0.000 0.428 291 P HA 0.014 nan 4.420 nan 0.000 0.268 291 P C -0.913 176.385 177.300 -0.002 0.000 1.204 291 P CA -0.258 62.846 63.100 0.007 0.000 0.768 291 P CB 0.868 32.581 31.700 0.022 0.000 0.842 292 V N 4.982 124.892 119.914 -0.007 0.000 2.709 292 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 292 V C -0.718 175.360 176.094 -0.027 0.000 1.062 292 V CA -0.958 61.332 62.300 -0.017 0.000 0.901 292 V CB 1.576 33.396 31.823 -0.005 0.000 1.003 292 V HN 0.295 nan 8.190 nan 0.000 0.425 293 I N 6.193 126.729 120.570 -0.056 0.000 2.433 293 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 293 I C -0.320 175.761 176.117 -0.061 0.000 1.001 293 I CA -0.388 60.869 61.300 -0.071 0.000 1.119 293 I CB 1.713 39.625 38.000 -0.147 0.000 1.289 293 I HN 0.622 nan 8.210 nan 0.000 0.438 294 C N 6.321 125.598 119.300 -0.037 0.000 2.285 294 C HA 0.864 5.324 4.460 -0.000 0.000 0.335 294 C C 0.395 175.369 174.990 -0.027 0.000 1.267 294 C CA -0.123 58.880 59.018 -0.026 0.000 1.762 294 C CB -0.643 27.090 27.740 -0.010 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.817 127.622 122.820 -0.026 0.000 2.401 295 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 295 A C -0.170 177.413 177.584 -0.001 0.000 1.075 295 A CA -0.141 51.885 52.037 -0.018 0.000 0.746 295 A CB 1.032 20.011 19.000 -0.036 0.000 1.277 295 A HN 1.335 nan 8.150 nan 0.000 0.425 296 T N 1.337 115.896 114.554 0.008 0.000 0.554 296 T HA -0.086 4.264 4.350 -0.000 0.000 0.772 296 T C 0.105 174.813 174.700 0.013 0.000 0.992 296 T CA 0.487 62.597 62.100 0.016 0.000 4.069 296 T CB -1.132 67.750 68.868 0.023 0.000 2.299 296 T HN 1.487 nan 8.240 nan 0.000 0.397 297 Q N 0.092 119.899 119.800 0.012 0.000 2.452 297 Q HA -0.271 4.069 4.340 -0.000 0.000 0.248 297 Q C 1.556 177.557 176.000 0.001 0.000 0.874 297 Q CA 1.517 57.325 55.803 0.009 0.000 1.208 297 Q CB -1.077 27.671 28.738 0.017 0.000 1.569 297 Q HN 0.817 nan 8.270 nan 0.000 0.579 298 M N -0.488 119.111 119.600 -0.002 0.000 2.117 298 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 298 M C 1.065 177.355 176.300 -0.017 0.000 1.065 298 M CA 1.521 56.818 55.300 -0.006 0.000 1.114 298 M CB 0.166 32.764 32.600 -0.003 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.390 120.818 121.223 -0.025 0.000 2.913 299 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 299 L C 1.030 177.862 176.870 -0.062 0.000 1.336 299 L CA -0.332 54.479 54.840 -0.048 0.000 0.815 299 L CB 0.463 42.491 42.059 -0.051 0.000 1.188 299 L HN 0.085 nan 8.230 nan 0.000 0.551 300 E N 0.941 121.116 120.200 -0.043 0.000 2.118 300 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 300 E C 2.089 178.637 176.600 -0.086 0.000 0.992 300 E CA 2.002 58.372 56.400 -0.049 0.000 0.804 300 E CB 0.278 29.983 29.700 0.010 0.000 0.741 300 E HN 0.538 nan 8.360 nan 0.000 0.458 301 S N -0.542 115.146 115.700 -0.020 0.000 2.474 301 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 301 S C 1.821 176.397 174.600 -0.040 0.000 0.997 301 S CA 0.814 59.050 58.200 0.061 0.000 0.949 301 S CB -0.179 63.066 63.200 0.074 0.000 0.766 301 S HN 0.285 nan 8.310 nan 0.000 0.517 302 M N 1.474 120.999 119.600 -0.125 0.000 2.618 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 302 M C 1.384 177.609 176.300 -0.125 0.000 1.123 302 M CA 0.516 55.750 55.300 -0.109 0.000 1.060 302 M CB -0.476 32.051 32.600 -0.122 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.273 114.037 114.554 -0.406 0.000 2.833 303 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 303 T C 0.840 175.214 174.700 -0.544 0.000 1.054 303 T CA 1.410 63.139 62.100 -0.618 0.000 1.135 303 T CB -0.161 68.072 68.868 -1.059 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.042 120.417 120.300 0.124 0.000 2.432 304 Y HA 0.448 4.998 4.550 -0.000 0.000 0.252 304 Y C 0.619 176.683 175.900 0.273 0.000 1.097 304 Y CA -1.220 56.972 58.100 0.152 0.000 1.250 304 Y CB -0.115 38.389 38.460 0.074 0.000 1.245 304 Y HN 0.082 nan 8.280 nan 0.000 0.522 305 N N 2.614 121.483 118.700 0.282 0.000 2.292 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.303 305 N C -2.261 173.039 175.510 -0.349 0.000 1.140 305 N CA -2.043 51.055 53.050 0.080 0.000 0.788 305 N CB 2.102 40.609 38.487 0.033 0.000 1.361 305 N HN -0.247 nan 8.380 nan 0.000 0.489 306 P HA -0.070 nan 4.420 nan 0.000 0.221 306 P C -0.247 176.822 177.300 -0.386 0.000 1.150 306 P CA 1.257 63.862 63.100 -0.826 0.000 0.800 306 P CB 0.559 31.939 31.700 -0.535 0.000 0.787 307 R N -0.219 120.111 120.500 -0.284 0.000 2.744 307 R HA 0.485 4.825 4.340 -0.000 0.000 0.279 307 R C -2.540 173.576 176.300 -0.307 0.000 0.977 307 R CA -2.208 53.712 56.100 -0.301 0.000 0.906 307 R CB 2.061 32.274 30.300 -0.145 0.000 1.197 307 R HN -0.020 nan 8.270 nan 0.000 0.463 308 P HA 0.077 nan 4.420 nan 0.000 0.278 308 P C -0.497 176.707 177.300 -0.161 0.000 1.258 308 P CA -0.454 62.469 63.100 -0.294 0.000 0.811 308 P CB 0.917 32.382 31.700 -0.392 0.000 1.063 309 T N -0.504 113.994 114.554 -0.095 0.000 2.813 309 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 309 T C 1.505 176.182 174.700 -0.038 0.000 1.036 309 T CA -0.530 61.540 62.100 -0.049 0.000 1.044 309 T CB 0.433 69.287 68.868 -0.023 0.000 0.993 309 T HN 0.185 nan 8.240 nan 0.000 0.535 310 R N 1.502 121.993 120.500 -0.015 0.000 2.081 310 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 310 R C 2.722 179.024 176.300 0.004 0.000 1.131 310 R CA 1.589 57.689 56.100 0.000 0.000 0.960 310 R CB -1.854 28.451 30.300 0.009 0.000 0.856 310 R HN 0.867 nan 8.270 nan 0.000 0.436 311 A N 1.338 124.158 122.820 0.001 0.000 1.933 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 311 A C 2.078 179.663 177.584 0.000 0.000 1.175 311 A CA 1.488 53.529 52.037 0.005 0.000 0.628 311 A CB -0.319 18.684 19.000 0.005 0.000 0.814 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 E N -0.541 119.651 120.200 -0.012 0.000 2.047 312 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 312 E C 1.986 178.576 176.600 -0.017 0.000 0.987 312 E CA 1.246 57.633 56.400 -0.021 0.000 0.799 312 E CB -0.236 29.438 29.700 -0.044 0.000 0.752 312 E HN 0.365 nan 8.360 nan 0.000 0.449 313 V N 0.914 120.819 119.914 -0.014 0.000 2.295 313 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 313 V C 2.458 178.558 176.094 0.011 0.000 1.049 313 V CA 1.973 64.278 62.300 0.008 0.000 1.024 313 V CB -0.534 31.307 31.823 0.031 0.000 0.648 313 V HN 0.322 nan 8.190 nan 0.000 0.447 314 S N -0.079 115.631 115.700 0.018 0.000 2.383 314 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 314 S C 1.867 176.477 174.600 0.017 0.000 1.030 314 S CA 2.184 60.402 58.200 0.030 0.000 1.002 314 S CB -0.493 62.731 63.200 0.040 0.000 0.829 314 S HN 0.698 nan 8.310 nan 0.000 0.467 315 D N 0.381 120.786 120.400 0.008 0.000 2.097 315 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 315 D C 1.901 178.189 176.300 -0.019 0.000 0.989 315 D CA 1.515 55.516 54.000 0.002 0.000 0.827 315 D CB -0.329 40.472 40.800 0.002 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.738 120.636 119.914 -0.027 0.000 2.343 316 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 316 V C 2.575 178.604 176.094 -0.109 0.000 1.051 316 V CA 1.725 63.998 62.300 -0.046 0.000 1.036 316 V CB -0.991 30.817 31.823 -0.024 0.000 0.654 316 V HN 0.323 nan 8.190 nan 0.000 0.451 317 A N 0.547 123.280 122.820 -0.145 0.000 1.877 317 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 317 A C 2.101 179.373 177.584 -0.519 0.000 1.186 317 A CA 1.969 53.797 52.037 -0.347 0.000 0.620 317 A CB -0.676 18.173 19.000 -0.252 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.419 119.028 118.700 -0.152 0.000 2.223 318 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 318 N C 1.879 177.406 175.510 0.029 0.000 1.016 318 N CA 1.359 54.445 53.050 0.060 0.000 0.863 318 N CB -0.443 38.124 38.487 0.134 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.922 123.725 122.820 -0.028 0.000 1.933 319 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 319 A C 2.525 180.109 177.584 -0.001 0.000 1.175 319 A CA 1.182 53.216 52.037 -0.004 0.000 0.628 319 A CB -0.667 18.324 19.000 -0.015 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.974 118.890 119.914 -0.083 0.000 2.343 320 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 320 V C 2.310 178.452 176.094 0.081 0.000 1.051 320 V CA 1.902 64.165 62.300 -0.062 0.000 1.036 320 V CB -1.064 30.647 31.823 -0.186 0.000 0.654 320 V HN 0.529 nan 8.190 nan 0.000 0.451 321 F N 0.909 120.909 119.950 0.083 0.000 2.171 321 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 321 F C 2.232 178.076 175.800 0.073 0.000 1.090 321 F CA 1.063 59.112 58.000 0.081 0.000 1.293 321 F CB -1.396 37.630 39.000 0.044 0.000 1.013 321 F HN 0.254 nan 8.300 nan 0.000 0.486 322 N N -0.719 118.120 118.700 0.232 0.000 2.289 322 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 322 N C 1.450 177.069 175.510 0.182 0.000 1.016 322 N CA 0.809 53.945 53.050 0.143 0.000 0.872 322 N CB -0.165 38.379 38.487 0.095 0.000 0.973 322 N HN 0.396 nan 8.380 nan 0.000 0.433 323 G N -0.147 108.810 108.800 0.263 0.000 2.154 323 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G C -0.003 174.991 174.900 0.156 0.000 1.000 323 G CA -0.068 45.243 45.100 0.352 0.000 0.664 323 G HN 0.475 nan 8.290 nan 0.000 0.513 324 A N 0.059 122.935 122.820 0.094 0.000 2.477 324 A HA 0.564 4.884 4.320 -0.000 0.000 0.246 324 A C 1.085 178.681 177.584 0.019 0.000 1.078 324 A CA 1.043 53.105 52.037 0.041 0.000 0.770 324 A CB 0.218 19.233 19.000 0.024 0.000 1.011 324 A HN 0.293 nan 8.150 nan 0.000 0.494 325 D N 0.351 120.756 120.400 0.007 0.000 2.117 325 D HA -0.022 4.618 4.640 -0.000 0.000 0.197 325 D C 0.131 176.436 176.300 0.009 0.000 0.987 325 D CA 1.623 55.625 54.000 0.003 0.000 0.829 325 D CB -0.007 40.795 40.800 0.004 0.000 0.961 325 D HN 0.552 nan 8.370 nan 0.000 0.460 326 C N -0.043 119.261 119.300 0.006 0.000 2.712 326 C HA 0.688 5.148 4.460 -0.000 0.000 0.308 326 C C -0.192 174.797 174.990 -0.001 0.000 1.201 326 C CA -1.223 57.801 59.018 0.009 0.000 1.554 326 C CB 1.480 29.229 27.740 0.015 0.000 2.117 326 C HN 0.128 nan 8.230 nan 0.000 0.480 327 V N 0.687 120.604 119.914 0.006 0.000 2.919 327 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 327 V C -0.575 175.528 176.094 0.015 0.000 1.077 327 V CA -0.691 61.611 62.300 0.002 0.000 0.977 327 V CB 1.775 33.597 31.823 -0.001 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.857 122.465 119.600 0.012 0.000 2.518 328 M HA 0.743 5.223 4.480 -0.000 0.000 0.300 328 M C -2.122 174.197 176.300 0.031 0.000 1.175 328 M CA -0.627 54.690 55.300 0.027 0.000 0.890 328 M CB 2.247 34.855 32.600 0.013 0.000 1.710 328 M HN 0.744 nan 8.290 nan 0.000 0.453 329 L N 2.443 123.694 121.223 0.046 0.000 2.362 329 L HA 0.551 4.890 4.340 -0.000 0.000 0.275 329 L C -0.197 176.702 176.870 0.050 0.000 0.998 329 L CA -0.283 54.580 54.840 0.039 0.000 0.820 329 L CB 2.185 44.267 42.059 0.037 0.000 1.270 329 L HN 0.851 nan 8.230 nan 0.000 0.415 330 S N 1.062 116.783 115.700 0.035 0.000 3.026 330 S HA 0.152 4.622 4.470 -0.000 0.000 0.169 330 S C 1.570 176.185 174.600 0.023 0.000 0.680 330 S CA 0.470 58.697 58.200 0.045 0.000 0.826 330 S CB -0.093 63.135 63.200 0.046 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.243 110.043 108.800 0.000 0.000 2.422 331 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G C 1.037 175.905 174.900 -0.053 0.000 1.140 331 G CA 0.881 45.964 45.100 -0.028 0.000 0.775 331 G HN 0.499 nan 8.290 nan 0.000 0.545 332 E N 0.246 120.411 120.200 -0.058 0.000 2.160 332 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 332 E C 2.714 179.297 176.600 -0.027 0.000 0.991 332 E CA 1.750 58.108 56.400 -0.071 0.000 0.810 332 E CB -0.229 29.439 29.700 -0.053 0.000 0.742 332 E HN 0.605 nan 8.360 nan 0.000 0.466 333 T N -2.850 111.704 114.554 -0.001 0.000 3.023 333 T HA 0.358 4.708 4.350 -0.000 0.000 0.249 333 T C 1.973 176.685 174.700 0.020 0.000 1.050 333 T CA 0.265 62.376 62.100 0.018 0.000 1.088 333 T CB 0.119 69.010 68.868 0.039 0.000 0.946 333 T HN 0.130 nan 8.240 nan 0.000 0.480 334 A N 3.319 126.149 122.820 0.017 0.000 1.873 334 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 334 A C 2.187 179.769 177.584 -0.003 0.000 1.186 334 A CA 1.549 53.597 52.037 0.018 0.000 0.616 334 A CB -0.341 18.663 19.000 0.008 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.269 119.115 120.400 -0.025 0.000 2.477 335 K HA 0.308 4.628 4.320 -0.000 0.000 0.208 335 K C 0.681 177.258 176.600 -0.039 0.000 1.117 335 K CA 0.244 56.513 56.287 -0.030 0.000 1.039 335 K CB 0.154 32.633 32.500 -0.035 0.000 0.937 335 K HN 0.248 nan 8.250 nan 0.000 0.570 336 G N 1.503 110.269 108.800 -0.056 0.000 2.606 336 G HA2 0.072 4.032 3.960 -0.000 0.000 0.252 336 G HA3 0.072 4.032 3.960 -0.000 0.000 0.252 336 G C 0.169 175.010 174.900 -0.098 0.000 1.206 336 G CA -0.539 44.510 45.100 -0.085 0.000 0.861 336 G HN 0.063 nan 8.290 nan 0.000 0.561 337 K N -0.413 119.892 120.400 -0.159 0.000 2.097 337 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 337 K C -0.148 176.130 176.600 -0.538 0.000 1.050 337 K CA 1.222 57.269 56.287 -0.401 0.000 0.938 337 K CB -0.020 32.117 32.500 -0.605 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.479 119.812 120.300 -0.015 0.000 2.562 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.363 338 Y C -2.113 173.789 175.900 0.003 0.000 0.991 338 Y CA -2.165 55.936 58.100 0.002 0.000 1.121 338 Y CB 1.042 39.507 38.460 0.007 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.132 nan 4.420 nan 0.000 0.215 339 P C 1.122 178.472 177.300 0.083 0.000 1.157 339 P CA 1.552 64.693 63.100 0.068 0.000 0.863 339 P CB 0.508 32.231 31.700 0.038 0.000 0.787 340 N N -0.141 118.611 118.700 0.086 0.000 2.120 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 340 N C 1.620 177.189 175.510 0.098 0.000 1.024 340 N CA 1.291 54.390 53.050 0.081 0.000 0.852 340 N CB -0.671 37.858 38.487 0.070 0.000 1.003 340 N HN 0.228 nan 8.380 nan 0.000 0.424 341 E N 0.698 120.978 120.200 0.134 0.000 2.110 341 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 341 E C 1.994 178.697 176.600 0.171 0.000 0.988 341 E CA 0.310 56.798 56.400 0.147 0.000 0.804 341 E CB -0.422 29.367 29.700 0.148 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.006 120.002 119.914 0.136 0.000 2.343 342 V HA -0.218 3.901 4.120 -0.000 0.000 0.247 342 V C 2.002 178.164 176.094 0.114 0.000 1.051 342 V CA 1.420 63.783 62.300 0.106 0.000 1.036 342 V CB -0.096 31.759 31.823 0.053 0.000 0.654 342 V HN 0.150 nan 8.190 nan 0.000 0.451 343 V N -0.322 119.647 119.914 0.092 0.000 2.343 343 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 343 V C 2.448 178.588 176.094 0.076 0.000 1.051 343 V CA 2.467 64.813 62.300 0.076 0.000 1.036 343 V CB -0.709 31.151 31.823 0.063 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.545 118.300 119.800 0.076 0.000 2.124 344 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 344 Q C 2.181 178.192 176.000 0.019 0.000 0.977 344 Q CA 2.030 57.853 55.803 0.034 0.000 0.850 344 Q CB -0.231 28.515 28.738 0.013 0.000 0.901 344 Q HN 0.707 nan 8.270 nan 0.000 0.429 345 Y N 0.127 120.426 120.300 -0.001 0.000 2.181 345 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.267 178.161 175.900 -0.010 0.000 1.146 345 Y CA 1.541 59.635 58.100 -0.009 0.000 1.164 345 Y CB -0.044 38.406 38.460 -0.017 0.000 0.982 345 Y HN 0.126 nan 8.280 nan 0.000 0.515 346 M N -1.022 118.678 119.600 0.166 0.000 2.117 346 M HA -0.198 4.282 4.480 -0.000 0.000 0.262 346 M C 2.287 178.614 176.300 0.045 0.000 1.065 346 M CA 1.851 57.204 55.300 0.089 0.000 1.114 346 M CB -0.147 32.490 32.600 0.062 0.000 1.361 346 M HN 0.276 nan 8.290 nan 0.000 0.408 347 A N 0.293 123.134 122.820 0.035 0.000 1.902 347 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 347 A C 2.138 179.717 177.584 -0.008 0.000 1.181 347 A CA 1.926 53.970 52.037 0.012 0.000 0.623 347 A CB -0.774 18.235 19.000 0.015 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.215 120.271 120.500 -0.023 0.000 2.081 348 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 348 R C 1.894 178.178 176.300 -0.026 0.000 1.131 348 R CA 1.763 57.835 56.100 -0.048 0.000 0.960 348 R CB -0.407 29.819 30.300 -0.123 0.000 0.856 348 R HN 0.531 nan 8.270 nan 0.000 0.436 349 I N 0.195 120.767 120.570 0.003 0.000 2.286 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 349 I C 2.458 178.549 176.117 -0.043 0.000 1.115 349 I CA 0.919 62.220 61.300 0.002 0.000 1.392 349 I CB -0.272 37.747 38.000 0.033 0.000 1.065 349 I HN 0.323 nan 8.210 nan 0.000 0.418 350 C N 0.100 119.375 119.300 -0.042 0.000 2.429 350 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 350 C C 2.682 177.631 174.990 -0.068 0.000 1.262 350 C CA 0.373 59.352 59.018 -0.066 0.000 1.733 350 C CB -0.827 26.888 27.740 -0.042 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.282 122.474 121.223 -0.053 0.000 2.056 351 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 351 L C 2.474 179.321 176.870 -0.038 0.000 1.078 351 L CA 1.987 56.791 54.840 -0.059 0.000 0.749 351 L CB -1.087 40.945 42.059 -0.045 0.000 0.901 351 L HN 0.306 nan 8.230 nan 0.000 0.433 352 E N -0.347 119.840 120.200 -0.021 0.000 2.077 352 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 352 E C 2.140 178.758 176.600 0.030 0.000 0.989 352 E CA 1.499 57.904 56.400 0.009 0.000 0.800 352 E CB -0.283 29.427 29.700 0.016 0.000 0.746 352 E HN 0.436 nan 8.360 nan 0.000 0.452 353 A N 0.462 123.263 122.820 -0.032 0.000 1.972 353 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 353 A C 2.211 179.853 177.584 0.096 0.000 1.169 353 A CA 1.683 53.676 52.037 -0.073 0.000 0.635 353 A CB -0.643 18.063 19.000 -0.490 0.000 0.810 353 A HN 0.421 nan 8.150 nan 0.000 0.446 354 Q N -0.136 119.678 119.800 0.023 0.000 2.124 354 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 354 Q C 2.174 178.224 176.000 0.083 0.000 0.977 354 Q CA 1.699 57.524 55.803 0.036 0.000 0.850 354 Q CB -0.106 28.588 28.738 -0.072 0.000 0.901 354 Q HN 0.657 nan 8.270 nan 0.000 0.429 355 S N 0.366 116.113 115.700 0.078 0.000 2.368 355 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 355 S C 1.921 176.616 174.600 0.159 0.000 1.030 355 S CA 1.048 59.306 58.200 0.097 0.000 0.999 355 S CB -0.252 62.992 63.200 0.074 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.582 123.533 122.820 0.220 0.000 2.121 356 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 356 A C 0.879 178.660 177.584 0.328 0.000 1.154 356 A CA 0.336 52.533 52.037 0.266 0.000 0.679 356 A CB -0.396 18.796 19.000 0.319 0.000 0.795 356 A HN 0.383 nan 8.150 nan 0.000 0.458 357 L N 0.797 122.224 121.223 0.340 0.000 2.455 357 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 357 L C 0.074 177.086 176.870 0.236 0.000 1.174 357 L CA -0.016 55.014 54.840 0.316 0.000 0.869 357 L CB 0.197 42.450 42.059 0.322 0.000 1.130 357 L HN 0.224 nan 8.230 nan 0.000 0.474 358 N N 3.092 121.866 118.700 0.123 0.000 2.602 358 N HA 0.072 4.812 4.740 -0.000 0.000 0.238 358 N C 0.604 176.240 175.510 0.209 0.000 1.084 358 N CA 0.003 53.083 53.050 0.050 0.000 0.952 358 N CB 0.597 38.908 38.487 -0.293 0.000 1.244 358 N HN 0.657 nan 8.380 nan 0.000 0.512 359 E N 1.207 121.581 120.200 0.291 0.000 2.153 359 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 359 E C 0.840 177.663 176.600 0.372 0.000 0.988 359 E CA 1.100 57.715 56.400 0.360 0.000 0.811 359 E CB -0.063 29.857 29.700 0.366 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.352 120.723 120.300 0.119 0.000 2.163 360 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 360 Y C 2.061 177.956 175.900 -0.007 0.000 1.136 360 Y CA 1.108 59.114 58.100 -0.157 0.000 1.147 360 Y CB -0.284 38.029 38.460 -0.245 0.000 0.987 360 Y HN -0.140 nan 8.280 nan 0.000 0.509 361 V N -0.233 119.682 119.914 0.002 0.000 2.343 361 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 361 V C 2.237 178.305 176.094 -0.043 0.000 1.051 361 V CA 2.101 64.342 62.300 -0.098 0.000 1.036 361 V CB -0.900 30.867 31.823 -0.093 0.000 0.654 361 V HN 0.486 nan 8.190 nan 0.000 0.451 362 F N -0.506 119.415 119.950 -0.049 0.000 2.126 362 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 362 F C 2.216 178.036 175.800 0.033 0.000 1.096 362 F CA 1.910 59.910 58.000 -0.000 0.000 1.255 362 F CB -0.176 38.860 39.000 0.061 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.538 121.560 119.950 0.119 0.000 2.102 363 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 363 F C 2.163 177.958 175.800 -0.009 0.000 1.105 363 F CA 1.782 59.815 58.000 0.055 0.000 1.239 363 F CB -1.071 37.917 39.000 -0.020 0.000 0.991 363 F HN -0.119 nan 8.300 nan 0.000 0.474 364 N N 0.331 118.731 118.700 -0.500 0.000 2.166 364 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 364 N C 2.022 177.363 175.510 -0.282 0.000 1.019 364 N CA 1.576 54.292 53.050 -0.556 0.000 0.856 364 N CB -0.621 37.556 38.487 -0.516 0.000 0.993 364 N HN 0.302 nan 8.380 nan 0.000 0.426 365 S N 1.203 116.806 115.700 -0.161 0.000 2.368 365 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 365 S C 2.139 176.706 174.600 -0.055 0.000 1.030 365 S CA 0.598 58.736 58.200 -0.103 0.000 0.999 365 S CB -0.151 62.986 63.200 -0.106 0.000 0.844 365 S HN 0.227 nan 8.310 nan 0.000 0.459 366 I N 1.523 122.095 120.570 0.004 0.000 2.226 366 I HA -0.189 3.980 4.170 -0.000 0.000 0.245 366 I C 2.475 178.592 176.117 0.000 0.000 1.100 366 I CA 1.193 62.497 61.300 0.007 0.000 1.374 366 I CB -0.164 37.836 38.000 -0.001 0.000 1.057 366 I HN 0.207 nan 8.210 nan 0.000 0.413 367 K N 1.113 121.515 120.400 0.003 0.000 2.057 367 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 367 K C 2.018 178.603 176.600 -0.025 0.000 1.049 367 K CA 1.318 57.627 56.287 0.038 0.000 0.931 367 K CB 0.069 32.434 32.500 -0.226 0.000 0.714 367 K HN 0.148 nan 8.250 nan 0.000 0.440 368 K N 0.484 120.839 120.400 -0.076 0.000 2.209 368 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 368 K C 1.933 178.516 176.600 -0.029 0.000 1.048 368 K CA 0.982 57.232 56.287 -0.062 0.000 0.940 368 K CB -0.087 32.367 32.500 -0.077 0.000 0.729 368 K HN 0.280 nan 8.250 nan 0.000 0.451 369 L N 1.311 122.526 121.223 -0.015 0.000 2.554 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 369 L C 0.577 177.464 176.870 0.029 0.000 1.137 369 L CA 0.177 55.017 54.840 0.001 0.000 0.863 369 L CB -0.035 42.020 42.059 -0.006 0.000 0.985 369 L HN 0.064 nan 8.230 nan 0.000 0.451 370 Q N 0.038 119.865 119.800 0.045 0.000 2.293 370 Q HA 0.106 4.446 4.340 -0.000 0.000 0.251 370 Q C -0.420 175.630 176.000 0.083 0.000 0.930 370 Q CA -0.131 55.721 55.803 0.081 0.000 0.893 370 Q CB 0.873 29.681 28.738 0.116 0.000 1.215 370 Q HN 0.231 nan 8.270 nan 0.000 0.425 371 H N 1.345 120.421 119.070 0.010 0.000 2.683 371 H HA 0.305 4.861 4.556 -0.000 0.000 0.339 371 H C -0.851 174.478 175.328 0.002 0.000 1.081 371 H CA -0.413 55.636 56.048 0.001 0.000 1.432 371 H CB 0.461 30.222 29.762 -0.002 0.000 1.462 371 H HN 0.305 nan 8.280 nan 0.000 0.557 372 I N 7.735 127.913 120.570 -0.655 0.000 2.377 372 I HA 0.253 4.423 4.170 -0.000 0.000 0.293 372 I C -1.846 173.851 176.117 -0.700 0.000 0.987 372 I CA -3.037 57.959 61.300 -0.507 0.000 1.185 372 I CB 0.947 38.802 38.000 -0.242 0.000 1.341 372 I HN 0.742 nan 8.210 nan 0.000 0.455 373 P HA 0.471 nan 4.420 nan 0.000 0.282 373 P C -0.221 177.056 177.300 -0.038 0.000 1.287 373 P CA -0.391 62.611 63.100 -0.162 0.000 0.792 373 P CB 1.471 33.136 31.700 -0.058 0.000 1.163 374 M N -0.944 118.670 119.600 0.023 0.000 2.893 374 M HA 0.186 4.666 4.480 -0.000 0.000 0.201 374 M C 0.288 176.611 176.300 0.038 0.000 1.926 374 M CA 0.300 55.654 55.300 0.090 0.000 1.302 374 M CB 0.135 32.785 32.600 0.082 0.000 1.249 374 M HN 0.543 nan 8.290 nan 0.000 0.599 375 S N -0.523 115.178 115.700 0.002 0.000 2.606 375 S HA 0.589 5.059 4.470 -0.000 0.000 0.290 375 S C -0.010 174.557 174.600 -0.055 0.000 1.103 375 S CA -0.365 57.808 58.200 -0.046 0.000 0.870 375 S CB 0.854 64.017 63.200 -0.061 0.000 1.077 375 S HN 0.382 nan 8.310 nan 0.000 0.448 376 A N 2.378 125.142 122.820 -0.092 0.000 1.892 376 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 376 A C 1.894 179.485 177.584 0.013 0.000 1.188 376 A CA 2.403 54.419 52.037 -0.036 0.000 0.631 376 A CB -1.290 17.703 19.000 -0.012 0.000 0.822 376 A HN 1.059 nan 8.150 nan 0.000 0.447 377 D N -0.262 120.131 120.400 -0.011 0.000 2.144 377 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 377 D C 1.711 178.038 176.300 0.044 0.000 0.984 377 D CA 1.501 55.550 54.000 0.082 0.000 0.834 377 D CB -0.772 40.106 40.800 0.130 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.917 121.132 120.200 0.026 0.000 2.077 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 378 E C 2.143 178.729 176.600 -0.023 0.000 0.989 378 E CA 1.265 57.694 56.400 0.048 0.000 0.800 378 E CB -0.174 29.577 29.700 0.084 0.000 0.746 378 E HN 0.292 nan 8.360 nan 0.000 0.452 379 A N 0.236 123.039 122.820 -0.029 0.000 1.933 379 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 379 A C 2.402 179.945 177.584 -0.068 0.000 1.175 379 A CA 1.352 53.353 52.037 -0.059 0.000 0.628 379 A CB -0.627 18.352 19.000 -0.035 0.000 0.814 379 A HN 0.236 nan 8.150 nan 0.000 0.444 380 V N -0.811 119.082 119.914 -0.035 0.000 2.295 380 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 380 V C 2.667 178.725 176.094 -0.060 0.000 1.049 380 V CA 2.155 64.435 62.300 -0.035 0.000 1.024 380 V CB -0.880 30.942 31.823 -0.001 0.000 0.648 380 V HN 0.732 nan 8.190 nan 0.000 0.447 381 C N -0.456 118.809 119.300 -0.058 0.000 2.446 381 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 381 C C 3.282 178.158 174.990 -0.190 0.000 1.275 381 C CA 1.429 60.406 59.018 -0.067 0.000 1.727 381 C CB -0.982 26.775 27.740 0.028 0.000 2.010 381 C HN 0.705 nan 8.230 nan 0.000 0.486 382 S N 1.593 117.043 115.700 -0.416 0.000 2.356 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 382 S C 2.084 176.623 174.600 -0.101 0.000 1.032 382 S CA 2.438 60.297 58.200 -0.568 0.000 1.005 382 S CB -0.664 62.066 63.200 -0.784 0.000 0.867 382 S HN 0.724 nan 8.310 nan 0.000 0.449 383 S N 1.671 117.324 115.700 -0.079 0.000 2.399 383 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 383 S C 2.114 176.703 174.600 -0.019 0.000 1.022 383 S CA 1.200 59.398 58.200 -0.003 0.000 0.983 383 S CB -0.986 62.202 63.200 -0.021 0.000 0.803 383 S HN 0.828 nan 8.310 nan 0.000 0.480 384 A N 1.248 124.031 122.820 -0.061 0.000 1.933 384 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 384 A C 2.407 179.934 177.584 -0.095 0.000 1.175 384 A CA 1.625 53.618 52.037 -0.074 0.000 0.628 384 A CB -1.081 17.872 19.000 -0.078 0.000 0.814 384 A HN 0.500 nan 8.150 nan 0.000 0.444 385 V N 1.227 121.062 119.914 -0.132 0.000 2.407 385 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 385 V C 2.474 178.430 176.094 -0.231 0.000 1.055 385 V CA 2.067 64.218 62.300 -0.249 0.000 1.049 385 V CB -0.990 30.610 31.823 -0.372 0.000 0.662 385 V HN 0.787 nan 8.190 nan 0.000 0.455 386 N N 0.014 118.671 118.700 -0.072 0.000 2.166 386 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 386 N C 1.944 177.533 175.510 0.132 0.000 1.019 386 N CA 1.711 54.874 53.050 0.189 0.000 0.856 386 N CB 0.037 38.726 38.487 0.337 0.000 0.993 386 N HN 0.426 nan 8.380 nan 0.000 0.426 387 S N 0.050 115.767 115.700 0.028 0.000 2.382 387 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 387 S C 2.062 176.637 174.600 -0.043 0.000 1.027 387 S CA 0.763 58.952 58.200 -0.018 0.000 0.991 387 S CB -0.106 63.057 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.390 120.249 119.914 -0.092 0.000 2.295 388 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 388 V C 1.884 177.890 176.094 -0.146 0.000 1.049 388 V CA 1.674 63.877 62.300 -0.161 0.000 1.024 388 V CB -0.835 30.812 31.823 -0.292 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.598 120.887 120.300 -0.019 0.000 2.181 389 Y HA -0.183 4.366 4.550 -0.000 0.000 0.288 389 Y C 2.578 178.492 175.900 0.024 0.000 1.146 389 Y CA 1.696 59.816 58.100 0.034 0.000 1.164 389 Y CB -0.367 38.187 38.460 0.156 0.000 0.982 389 Y HN 0.301 nan 8.280 nan 0.000 0.515 390 E N -0.764 119.537 120.200 0.168 0.000 2.110 390 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 390 E C 1.982 178.612 176.600 0.050 0.000 0.988 390 E CA 1.828 58.284 56.400 0.094 0.000 0.804 390 E CB -0.116 29.626 29.700 0.071 0.000 0.745 390 E HN 0.539 nan 8.360 nan 0.000 0.458 391 T N -2.283 112.284 114.554 0.022 0.000 3.081 391 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 391 T C 0.561 175.346 174.700 0.142 0.000 1.100 391 T CA -0.100 62.028 62.100 0.046 0.000 1.038 391 T CB 0.042 68.847 68.868 -0.105 0.000 0.962 391 T HN -0.003 nan 8.240 nan 0.000 0.516 392 K N 0.952 121.400 120.400 0.079 0.000 3.096 392 K HA -0.108 4.212 4.320 -0.000 0.000 0.266 392 K C 0.176 176.817 176.600 0.068 0.000 1.043 392 K CA 0.038 56.360 56.287 0.059 0.000 0.758 392 K CB -2.038 30.503 32.500 0.068 0.000 1.260 392 K HN 0.727 nan 8.250 nan 0.000 0.481 393 A N 1.170 124.021 122.820 0.052 0.000 2.477 393 A HA 0.067 4.386 4.320 -0.000 0.000 0.246 393 A C 1.024 178.600 177.584 -0.014 0.000 1.078 393 A CA 0.130 52.205 52.037 0.063 0.000 0.770 393 A CB 0.324 19.345 19.000 0.034 0.000 1.011 393 A HN 0.334 nan 8.150 nan 0.000 0.494 394 K N 0.794 121.196 120.400 0.003 0.000 2.374 394 K HA 0.381 4.701 4.320 -0.000 0.000 0.196 394 K C 0.296 176.859 176.600 -0.062 0.000 1.023 394 K CA 0.936 57.208 56.287 -0.026 0.000 1.103 394 K CB 0.278 32.782 32.500 0.007 0.000 0.848 394 K HN 0.789 nan 8.250 nan 0.000 0.528 395 A N 0.880 123.671 122.820 -0.049 0.000 2.599 395 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 395 A C -1.730 175.825 177.584 -0.049 0.000 1.101 395 A CA -0.707 51.293 52.037 -0.062 0.000 0.674 395 A CB 1.527 20.543 19.000 0.028 0.000 1.277 395 A HN 0.101 nan 8.150 nan 0.000 0.419 396 M N 0.756 120.326 119.600 -0.051 0.000 2.446 396 M HA 0.604 5.084 4.480 -0.000 0.000 0.294 396 M C -1.855 174.443 176.300 -0.005 0.000 1.158 396 M CA -0.590 54.685 55.300 -0.040 0.000 0.899 396 M CB 2.458 35.014 32.600 -0.074 0.000 1.687 396 M HN 0.515 nan 8.290 nan 0.000 0.455 397 V N 3.902 123.821 119.914 0.008 0.000 2.588 397 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 397 V C -0.948 175.160 176.094 0.023 0.000 1.042 397 V CA -0.726 61.589 62.300 0.024 0.000 0.877 397 V CB 1.968 33.817 31.823 0.044 0.000 0.996 397 V HN 0.674 nan 8.190 nan 0.000 0.425 398 V N 4.017 123.942 119.914 0.019 0.000 2.823 398 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 398 V C -0.875 175.233 176.094 0.024 0.000 1.072 398 V CA -0.986 61.330 62.300 0.028 0.000 0.937 398 V CB 1.979 33.814 31.823 0.021 0.000 1.013 398 V HN 0.545 nan 8.190 nan 0.000 0.430 399 L N 2.890 124.138 121.223 0.041 0.000 2.257 399 L HA 0.698 5.038 4.340 -0.000 0.000 0.290 399 L C 0.315 177.198 176.870 0.021 0.000 1.044 399 L CA 0.610 55.456 54.840 0.010 0.000 0.810 399 L CB 1.115 43.172 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.618 118.328 115.700 0.018 0.000 2.614 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 400 S C 0.443 175.066 174.600 0.038 0.000 1.137 400 S CA -0.705 57.513 58.200 0.031 0.000 0.992 400 S CB 0.709 63.931 63.200 0.037 0.000 1.026 400 S HN 0.632 nan 8.310 nan 0.000 0.486 401 N N 2.247 120.971 118.700 0.041 0.000 2.349 401 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 401 N C 1.906 177.448 175.510 0.054 0.000 1.024 401 N CA 1.580 54.663 53.050 0.054 0.000 0.869 401 N CB -0.720 37.796 38.487 0.049 0.000 1.022 401 N HN 0.787 nan 8.380 nan 0.000 0.433 402 T N -2.070 112.511 114.554 0.045 0.000 2.995 402 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 402 T C 1.555 176.278 174.700 0.040 0.000 1.091 402 T CA 1.494 63.619 62.100 0.041 0.000 1.128 402 T CB -0.147 68.744 68.868 0.038 0.000 0.891 402 T HN 0.371 nan 8.240 nan 0.000 0.492 403 G N 1.150 109.975 108.800 0.042 0.000 2.195 403 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.246 403 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.246 403 G C 0.970 175.893 174.900 0.040 0.000 0.984 403 G CA 0.550 45.673 45.100 0.039 0.000 0.633 403 G HN 0.582 nan 8.290 nan 0.000 0.525 404 R N 0.778 121.304 120.500 0.042 0.000 2.080 404 R HA -0.018 4.322 4.340 -0.000 0.000 0.236 404 R C 2.861 179.193 176.300 0.053 0.000 1.137 404 R CA 2.262 58.389 56.100 0.046 0.000 0.943 404 R CB -0.421 29.908 30.300 0.048 0.000 0.846 404 R HN 0.410 nan 8.270 nan 0.000 0.431 405 S N 0.100 115.834 115.700 0.057 0.000 2.383 405 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 405 S C 1.923 176.556 174.600 0.056 0.000 1.030 405 S CA 1.229 59.466 58.200 0.062 0.000 1.002 405 S CB -0.214 63.022 63.200 0.060 0.000 0.829 405 S HN 0.543 nan 8.310 nan 0.000 0.467 406 A N 1.772 124.619 122.820 0.045 0.000 1.902 406 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 406 A C 2.147 179.756 177.584 0.041 0.000 1.181 406 A CA 1.243 53.303 52.037 0.038 0.000 0.623 406 A CB -0.436 18.581 19.000 0.029 0.000 0.818 406 A HN 0.412 nan 8.150 nan 0.000 0.443 407 R N -1.311 119.214 120.500 0.041 0.000 2.096 407 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 407 R C 2.045 178.374 176.300 0.049 0.000 1.127 407 R CA 1.307 57.429 56.100 0.036 0.000 0.968 407 R CB -0.503 29.815 30.300 0.030 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.541 121.809 121.223 0.075 0.000 2.046 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 408 L C 2.097 179.089 176.870 0.203 0.000 1.077 408 L CA 1.521 56.437 54.840 0.126 0.000 0.747 408 L CB -0.249 41.883 42.059 0.122 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.471 119.530 119.914 0.145 0.000 2.358 409 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 409 V C 2.689 178.863 176.094 0.132 0.000 1.047 409 V CA 1.529 63.918 62.300 0.148 0.000 1.035 409 V CB -1.207 30.655 31.823 0.066 0.000 0.658 409 V HN 0.557 nan 8.190 nan 0.000 0.452 410 A N 0.149 123.009 122.820 0.068 0.000 2.019 410 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 410 A C 2.307 179.888 177.584 -0.006 0.000 1.164 410 A CA 1.953 54.005 52.037 0.025 0.000 0.644 410 A CB -0.520 18.487 19.000 0.011 0.000 0.805 410 A HN 0.597 nan 8.150 nan 0.000 0.449 411 K N -1.491 118.901 120.400 -0.014 0.000 2.211 411 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 411 K C 0.923 177.365 176.600 -0.263 0.000 1.047 411 K CA 1.576 57.772 56.287 -0.153 0.000 0.935 411 K CB -0.317 32.065 32.500 -0.197 0.000 0.728 411 K HN 0.527 nan 8.250 nan 0.000 0.452 412 Y N 1.145 121.487 120.300 0.070 0.000 2.461 412 Y HA 0.221 4.771 4.550 -0.000 0.000 0.277 412 Y C -0.187 175.798 175.900 0.141 0.000 1.182 412 Y CA -0.171 58.038 58.100 0.183 0.000 1.276 412 Y CB 0.418 39.030 38.460 0.252 0.000 1.087 412 Y HN -0.031 nan 8.280 nan 0.000 0.519 413 R N -0.422 120.127 120.500 0.081 0.000 3.146 413 R HA -0.155 4.185 4.340 -0.000 0.000 0.250 413 R C -2.980 173.399 176.300 0.133 0.000 0.912 413 R CA 0.187 56.307 56.100 0.033 0.000 0.633 413 R CB -2.069 28.158 30.300 -0.122 0.000 1.180 413 R HN 0.269 nan 8.270 nan 0.000 0.464 414 P HA 0.012 nan 4.420 nan 0.000 0.272 414 P C 0.418 177.672 177.300 -0.077 0.000 1.240 414 P CA -0.158 62.862 63.100 -0.133 0.000 0.791 414 P CB 0.439 32.027 31.700 -0.186 0.000 0.978 415 N N 0.057 118.596 118.700 -0.270 0.000 2.327 415 N HA 0.060 4.800 4.740 -0.000 0.000 0.231 415 N C -0.215 175.302 175.510 0.012 0.000 1.130 415 N CA -0.454 52.583 53.050 -0.023 0.000 0.845 415 N CB -1.143 37.399 38.487 0.091 0.000 1.073 415 N HN 0.446 nan 8.380 nan 0.000 0.496 416 C N -2.715 116.528 119.300 -0.095 0.000 3.171 416 C HA 0.751 5.211 4.460 -0.000 0.000 0.308 416 C C -3.018 171.659 174.990 -0.523 0.000 1.334 416 C CA -1.958 56.902 59.018 -0.262 0.000 1.473 416 C CB 1.471 29.070 27.740 -0.235 0.000 1.866 416 C HN 0.006 nan 8.230 nan 0.000 0.465 417 P HA 0.413 nan 4.420 nan 0.000 0.269 417 P C -0.835 176.237 177.300 -0.380 0.000 1.209 417 P CA 0.300 62.841 63.100 -0.931 0.000 0.776 417 P CB 0.301 31.245 31.700 -1.259 0.000 0.876 418 I N 1.939 122.382 120.570 -0.211 0.000 2.378 418 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 418 I C -0.489 175.613 176.117 -0.026 0.000 0.992 418 I CA -0.782 60.464 61.300 -0.090 0.000 1.154 418 I CB 1.742 39.711 38.000 -0.051 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.818 125.736 119.914 0.006 0.000 2.378 419 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 419 V C -0.313 175.771 176.094 -0.016 0.000 1.016 419 V CA -0.639 61.674 62.300 0.021 0.000 0.840 419 V CB 1.516 33.408 31.823 0.114 0.000 0.994 419 V HN 0.864 nan 8.190 nan 0.000 0.431 420 C N 6.628 125.901 119.300 -0.045 0.000 2.330 420 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 420 C C 0.016 174.976 174.990 -0.050 0.000 1.273 420 C CA -0.168 58.831 59.018 -0.031 0.000 1.879 420 C CB 0.432 28.165 27.740 -0.012 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.367 126.261 119.914 -0.034 0.000 2.357 421 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 421 V C 0.415 176.503 176.094 -0.010 0.000 1.018 421 V CA 0.021 62.298 62.300 -0.038 0.000 0.841 421 V CB 1.522 33.302 31.823 -0.073 0.000 0.991 421 V HN 1.001 nan 8.190 nan 0.000 0.437 422 T N 2.135 116.716 114.554 0.046 0.000 2.893 422 T HA 0.401 4.750 4.350 -0.000 0.000 0.291 422 T C 0.836 175.632 174.700 0.159 0.000 1.028 422 T CA 0.234 62.391 62.100 0.096 0.000 0.995 422 T CB 1.738 70.675 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.313 115.964 114.554 0.163 0.000 3.122 423 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 423 T C 0.504 175.441 174.700 0.396 0.000 1.067 423 T CA -0.230 61.994 62.100 0.207 0.000 0.966 423 T CB -0.023 68.946 68.868 0.169 0.000 1.002 423 T HN 0.329 nan 8.240 nan 0.000 0.542 424 R N 0.223 120.931 120.500 0.348 0.000 2.480 424 R HA 0.610 4.950 4.340 -0.000 0.000 0.306 424 R C 0.825 177.200 176.300 0.124 0.000 0.958 424 R CA -0.629 55.612 56.100 0.234 0.000 0.861 424 R CB 1.214 31.585 30.300 0.118 0.000 1.171 424 R HN 0.057 nan 8.270 nan 0.000 0.445 425 L N 1.647 122.796 121.223 -0.123 0.000 2.083 425 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 425 L C 2.198 179.001 176.870 -0.112 0.000 1.083 425 L CA 1.496 56.171 54.840 -0.275 0.000 0.752 425 L CB -0.053 41.723 42.059 -0.472 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.656 119.103 119.800 -0.069 0.000 2.170 426 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 426 Q C 1.965 177.958 176.000 -0.011 0.000 0.976 426 Q CA 2.039 57.818 55.803 -0.040 0.000 0.858 426 Q CB 0.060 28.780 28.738 -0.031 0.000 0.907 426 Q HN 0.374 nan 8.270 nan 0.000 0.433 427 T N -0.305 114.257 114.554 0.013 0.000 2.788 427 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 427 T C 1.841 176.557 174.700 0.027 0.000 1.044 427 T CA 1.298 63.416 62.100 0.031 0.000 1.139 427 T CB -0.388 68.513 68.868 0.055 0.000 0.867 427 T HN 0.455 nan 8.240 nan 0.000 0.454 428 C N 1.398 120.712 119.300 0.024 0.000 2.429 428 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 428 C C 2.822 177.816 174.990 0.008 0.000 1.262 428 C CA 0.373 59.402 59.018 0.018 0.000 1.733 428 C CB -1.005 26.743 27.740 0.014 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.542 121.037 120.500 -0.007 0.000 2.075 429 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 429 R C 2.299 178.605 176.300 0.010 0.000 1.126 429 R CA 1.204 57.301 56.100 -0.004 0.000 0.963 429 R CB -0.424 29.863 30.300 -0.022 0.000 0.858 429 R HN 0.657 nan 8.270 nan 0.000 0.435 430 Q N 0.615 120.422 119.800 0.010 0.000 2.170 430 Q HA -0.069 4.270 4.340 -0.000 0.000 0.203 430 Q C 1.968 177.988 176.000 0.033 0.000 0.976 430 Q CA 0.965 56.780 55.803 0.021 0.000 0.858 430 Q CB 0.010 28.758 28.738 0.017 0.000 0.907 430 Q HN 0.370 nan 8.270 nan 0.000 0.433 431 L N 0.773 122.015 121.223 0.031 0.000 2.622 431 L HA -0.074 4.266 4.340 -0.000 0.000 0.233 431 L C 1.091 177.985 176.870 0.040 0.000 1.156 431 L CA 0.014 54.875 54.840 0.034 0.000 0.866 431 L CB -0.197 41.880 42.059 0.029 0.000 0.980 431 L HN 0.186 nan 8.230 nan 0.000 0.448 432 N N 0.673 119.399 118.700 0.043 0.000 2.512 432 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 432 N C 1.553 177.100 175.510 0.061 0.000 1.073 432 N CA 0.794 53.875 53.050 0.052 0.000 0.911 432 N CB 0.007 38.523 38.487 0.049 0.000 0.964 432 N HN 0.530 nan 8.380 nan 0.000 0.447 433 I N -4.028 116.580 120.570 0.063 0.000 3.956 433 I HA 0.242 4.412 4.170 -0.000 0.000 0.333 433 I C -0.324 175.821 176.117 0.046 0.000 1.302 433 I CA 0.053 61.393 61.300 0.067 0.000 1.122 433 I CB 0.081 38.136 38.000 0.092 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.087 117.665 114.554 0.041 0.000 2.767 434 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 434 T C -0.122 174.595 174.700 0.030 0.000 0.973 434 T CA -0.422 61.696 62.100 0.029 0.000 0.996 434 T CB 1.301 70.184 68.868 0.026 0.000 0.927 434 T HN 0.401 nan 8.240 nan 0.000 0.456 435 Q N 1.858 121.669 119.800 0.018 0.000 2.392 435 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 435 Q C 1.088 177.111 176.000 0.038 0.000 1.003 435 Q CA 0.420 56.237 55.803 0.023 0.000 0.888 435 Q CB -0.136 28.602 28.738 0.001 0.000 1.260 435 Q HN 0.841 nan 8.270 nan 0.000 0.435 436 G N 0.349 109.195 108.800 0.076 0.000 2.153 436 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G C -0.368 174.572 174.900 0.067 0.000 0.994 436 G CA 0.103 45.276 45.100 0.120 0.000 0.698 436 G HN 0.693 nan 8.290 nan 0.000 0.521 437 V N -0.146 119.804 119.914 0.060 0.000 2.656 437 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 437 V C -0.060 176.067 176.094 0.055 0.000 1.051 437 V CA -0.782 61.541 62.300 0.038 0.000 0.893 437 V CB 2.006 33.845 31.823 0.027 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.766 121.993 120.200 0.045 0.000 2.222 438 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 438 E C -1.155 175.392 176.600 -0.088 0.000 0.884 438 E CA -0.482 55.941 56.400 0.039 0.000 0.764 438 E CB 2.256 32.065 29.700 0.182 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.260 116.890 115.700 -0.116 0.000 2.509 439 S HA 0.467 4.937 4.470 -0.000 0.000 0.297 439 S C -0.623 173.827 174.600 -0.250 0.000 1.118 439 S CA -0.747 57.372 58.200 -0.134 0.000 1.074 439 S CB 1.451 64.634 63.200 -0.029 0.000 1.038 439 S HN 0.229 nan 8.310 nan 0.000 0.498 440 V N 3.817 123.602 119.914 -0.216 0.000 2.409 440 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 440 V C -0.622 175.506 176.094 0.058 0.000 1.020 440 V CA -0.784 61.422 62.300 -0.156 0.000 0.848 440 V CB 0.969 32.657 31.823 -0.224 0.000 0.990 440 V HN 0.840 nan 8.190 nan 0.000 0.430 441 F N 6.066 126.008 119.950 -0.013 0.000 2.427 441 F HA 0.592 5.119 4.527 -0.000 0.000 0.352 441 F C -0.723 175.144 175.800 0.111 0.000 1.100 441 F CA -1.059 56.966 58.000 0.041 0.000 1.191 441 F CB 0.766 39.775 39.000 0.015 0.000 1.128 441 F HN 0.429 nan 8.300 nan 0.000 0.533 442 F N 6.456 125.907 119.950 -0.832 0.000 2.460 442 F HA 0.278 4.805 4.527 -0.000 0.000 0.341 442 F C -0.632 174.564 175.800 -1.008 0.000 1.130 442 F CA -0.885 56.700 58.000 -0.693 0.000 0.962 442 F CB 0.544 39.358 39.000 -0.311 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.081 124.768 120.400 -1.189 0.000 2.374 443 D HA 0.282 4.922 4.640 -0.000 0.000 0.240 443 D C 0.917 176.921 176.300 -0.493 0.000 1.229 443 D CA 0.375 53.941 54.000 -0.724 0.000 0.895 443 D CB 1.620 42.192 40.800 -0.380 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.057 126.772 122.820 -0.176 0.000 1.933 444 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 444 A C 1.700 179.211 177.584 -0.122 0.000 1.175 444 A CA 1.314 53.340 52.037 -0.018 0.000 0.628 444 A CB -0.098 19.008 19.000 0.177 0.000 0.814 444 A HN 0.489 nan 8.150 nan 0.000 0.444 445 D N -0.477 119.867 120.400 -0.093 0.000 2.084 445 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 445 D C 1.955 178.173 176.300 -0.136 0.000 0.990 445 D CA 1.690 55.631 54.000 -0.099 0.000 0.826 445 D CB -0.208 40.572 40.800 -0.034 0.000 0.971 445 D HN 0.384 nan 8.370 nan 0.000 0.453 446 K N 0.163 120.471 120.400 -0.153 0.000 2.026 446 K HA 0.032 4.351 4.320 -0.000 0.000 0.208 446 K C 1.607 178.074 176.600 -0.221 0.000 1.048 446 K CA 0.978 57.163 56.287 -0.170 0.000 0.929 446 K CB -0.105 32.291 32.500 -0.174 0.000 0.713 446 K HN 0.129 nan 8.250 nan 0.000 0.439 447 L N -0.561 120.468 121.223 -0.323 0.000 2.640 447 L HA 0.345 4.685 4.340 -0.000 0.000 0.230 447 L C 0.548 177.310 176.870 -0.180 0.000 1.123 447 L CA -0.189 54.446 54.840 -0.341 0.000 0.900 447 L CB 0.178 41.845 42.059 -0.654 0.000 1.146 447 L HN 0.394 nan 8.230 nan 0.000 0.484 448 G N -0.451 108.258 108.800 -0.152 0.000 2.746 448 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G C 0.045 174.981 174.900 0.060 0.000 1.350 448 G CA -0.519 44.517 45.100 -0.107 0.000 0.837 448 G HN 0.157 nan 8.290 nan 0.000 0.564 449 H N 0.505 119.634 119.070 0.099 0.000 2.524 449 H HA 0.039 4.595 4.556 -0.000 0.000 0.282 449 H C 1.704 177.084 175.328 0.088 0.000 1.016 449 H CA 1.574 57.678 56.048 0.093 0.000 1.270 449 H CB -0.051 29.740 29.762 0.049 0.000 1.394 449 H HN 0.848 nan 8.280 nan 0.000 0.568 450 D N 1.158 121.696 120.400 0.231 0.000 2.689 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 450 D C 1.210 177.528 176.300 0.030 0.000 1.148 450 D CA 0.750 54.836 54.000 0.144 0.000 0.656 450 D CB -0.622 40.215 40.800 0.062 0.000 1.050 450 D HN 0.607 nan 8.370 nan 0.000 0.426 451 E N -0.994 119.233 120.200 0.046 0.000 2.204 451 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 451 E C 2.106 178.703 176.600 -0.005 0.000 0.990 451 E CA 1.237 57.643 56.400 0.009 0.000 0.821 451 E CB -0.347 29.359 29.700 0.011 0.000 0.750 451 E HN 0.514 nan 8.360 nan 0.000 0.477 452 G N 0.868 109.647 108.800 -0.035 0.000 2.880 452 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.209 452 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.209 452 G C 0.641 175.520 174.900 -0.035 0.000 1.157 452 G CA 0.248 45.352 45.100 0.006 0.000 0.779 452 G HN 0.196 nan 8.290 nan 0.000 0.539 453 K N -0.944 119.362 120.400 -0.158 0.000 3.548 453 K HA -0.223 4.097 4.320 -0.000 0.000 0.296 453 K C 1.634 178.042 176.600 -0.320 0.000 1.324 453 K CA 1.348 57.449 56.287 -0.311 0.000 0.976 453 K CB -1.253 30.918 32.500 -0.549 0.000 1.294 453 K HN 0.612 nan 8.250 nan 0.000 0.464 454 E N -0.045 119.990 120.200 -0.276 0.000 2.110 454 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 454 E C 1.460 177.904 176.600 -0.259 0.000 0.988 454 E CA 1.620 57.857 56.400 -0.271 0.000 0.804 454 E CB -0.292 29.229 29.700 -0.299 0.000 0.745 454 E HN 0.608 nan 8.360 nan 0.000 0.458 455 H N 0.741 119.746 119.070 -0.108 0.000 2.326 455 H HA 0.072 4.628 4.556 -0.000 0.000 0.301 455 H C 2.276 177.478 175.328 -0.210 0.000 1.081 455 H CA 1.272 57.274 56.048 -0.077 0.000 1.334 455 H CB 0.044 29.839 29.762 0.055 0.000 1.385 455 H HN -0.009 nan 8.280 nan 0.000 0.504 456 R N 0.258 120.523 120.500 -0.392 0.000 2.081 456 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 456 R C 2.313 178.491 176.300 -0.203 0.000 1.131 456 R CA 1.272 57.067 56.100 -0.509 0.000 0.960 456 R CB -0.298 29.637 30.300 -0.607 0.000 0.856 456 R HN 0.151 nan 8.270 nan 0.000 0.436 457 V N 0.888 120.699 119.914 -0.171 0.000 2.343 457 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 457 V C 2.407 178.494 176.094 -0.013 0.000 1.051 457 V CA 1.965 64.221 62.300 -0.074 0.000 1.036 457 V CB -0.654 31.127 31.823 -0.070 0.000 0.654 457 V HN 0.420 nan 8.190 nan 0.000 0.451 458 A N -0.075 122.745 122.820 -0.000 0.000 1.933 458 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 458 A C 2.423 180.051 177.584 0.074 0.000 1.175 458 A CA 2.021 54.085 52.037 0.046 0.000 0.628 458 A CB -0.715 18.328 19.000 0.071 0.000 0.814 458 A HN 0.563 nan 8.150 nan 0.000 0.444 459 A N -0.459 122.412 122.820 0.086 0.000 1.902 459 A HA 0.137 4.456 4.320 -0.000 0.000 0.217 459 A C 2.415 180.071 177.584 0.121 0.000 1.181 459 A CA 1.901 54.009 52.037 0.118 0.000 0.623 459 A CB -1.375 17.720 19.000 0.158 0.000 0.818 459 A HN 0.711 nan 8.150 nan 0.000 0.443 460 G N -0.678 108.167 108.800 0.075 0.000 2.418 460 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 460 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 460 G C 1.518 176.510 174.900 0.153 0.000 1.158 460 G CA 1.180 46.337 45.100 0.095 0.000 0.771 460 G HN 0.302 nan 8.290 nan 0.000 0.545 461 V N 0.801 120.779 119.914 0.106 0.000 2.343 461 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 461 V C 2.720 178.874 176.094 0.100 0.000 1.051 461 V CA 2.333 64.691 62.300 0.097 0.000 1.036 461 V CB -0.146 31.716 31.823 0.065 0.000 0.654 461 V HN 0.484 nan 8.190 nan 0.000 0.451 462 E N 0.195 120.458 120.200 0.104 0.000 2.077 462 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 462 E C 1.916 178.570 176.600 0.090 0.000 0.989 462 E CA 1.689 58.139 56.400 0.082 0.000 0.800 462 E CB -0.536 29.215 29.700 0.086 0.000 0.746 462 E HN 0.560 nan 8.360 nan 0.000 0.452 463 F N 0.527 120.485 119.950 0.012 0.000 2.134 463 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 463 F C 2.036 177.816 175.800 -0.032 0.000 1.097 463 F CA 1.756 59.757 58.000 0.001 0.000 1.264 463 F CB -0.524 38.496 39.000 0.032 0.000 1.001 463 F HN 0.121 nan 8.300 nan 0.000 0.479 464 A N 0.254 123.149 122.820 0.125 0.000 1.933 464 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 464 A C 2.282 179.783 177.584 -0.139 0.000 1.175 464 A CA 1.696 53.752 52.037 0.032 0.000 0.628 464 A CB -0.665 18.440 19.000 0.176 0.000 0.814 464 A HN 0.444 nan 8.150 nan 0.000 0.444 465 K N 0.012 120.359 120.400 -0.088 0.000 2.057 465 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 465 K C 2.529 179.018 176.600 -0.186 0.000 1.049 465 K CA 1.570 57.795 56.287 -0.103 0.000 0.931 465 K CB -0.215 32.256 32.500 -0.049 0.000 0.714 465 K HN 0.638 nan 8.250 nan 0.000 0.440 466 S N 1.144 116.705 115.700 -0.231 0.000 2.382 466 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 466 S C 1.654 176.021 174.600 -0.389 0.000 1.027 466 S CA 1.074 59.112 58.200 -0.270 0.000 0.991 466 S CB -0.022 63.040 63.200 -0.230 0.000 0.823 466 S HN 0.130 nan 8.310 nan 0.000 0.469 467 K N 0.566 120.585 120.400 -0.635 0.000 2.444 467 K HA 0.206 4.526 4.320 -0.000 0.000 0.193 467 K C 1.401 177.601 176.600 -0.666 0.000 1.024 467 K CA 0.638 56.475 56.287 -0.750 0.000 1.077 467 K CB -0.134 31.665 32.500 -1.168 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.274 109.795 108.800 -0.464 0.000 2.159 468 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G C 0.585 175.422 174.900 -0.105 0.000 0.977 468 G CA 0.253 45.210 45.100 -0.239 0.000 0.652 468 G HN 0.205 nan 8.290 nan 0.000 0.531 469 Y N -0.017 120.243 120.300 -0.067 0.000 2.224 469 Y HA 0.231 4.781 4.550 -0.000 0.000 0.289 469 Y C 1.958 177.832 175.900 -0.043 0.000 1.146 469 Y CA 0.884 58.951 58.100 -0.054 0.000 1.182 469 Y CB -0.681 37.732 38.460 -0.078 0.000 0.983 469 Y HN 0.770 nan 8.280 nan 0.000 0.524 470 V N -1.479 118.482 119.914 0.077 0.000 2.914 470 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 470 V C -0.899 175.191 176.094 -0.006 0.000 1.084 470 V CA -1.228 61.091 62.300 0.032 0.000 0.963 470 V CB 2.070 33.914 31.823 0.036 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.769 120.560 119.800 -0.015 0.000 2.587 471 Q HA 0.644 4.984 4.340 -0.000 0.000 0.293 471 Q C -0.538 175.442 176.000 -0.033 0.000 1.083 471 Q CA -0.894 54.894 55.803 -0.025 0.000 0.792 471 Q CB 1.457 30.179 28.738 -0.026 0.000 1.484 471 Q HN 0.880 nan 8.270 nan 0.000 0.446 472 T N -1.222 113.312 114.554 -0.033 0.000 2.940 472 T HA 0.388 4.738 4.350 -0.000 0.000 0.309 472 T C 1.120 175.785 174.700 -0.059 0.000 1.056 472 T CA 0.302 62.381 62.100 -0.036 0.000 1.137 472 T CB 0.508 69.360 68.868 -0.027 0.000 0.976 472 T HN 1.084 nan 8.240 nan 0.000 0.547 473 G N 1.753 110.506 108.800 -0.078 0.000 2.195 473 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G C -0.163 174.593 174.900 -0.239 0.000 0.984 473 G CA -0.053 44.967 45.100 -0.132 0.000 0.633 473 G HN 0.791 nan 8.290 nan 0.000 0.525 474 D N -0.094 120.197 120.400 -0.181 0.000 2.344 474 D HA 0.522 5.162 4.640 -0.000 0.000 0.244 474 D C 0.154 176.346 176.300 -0.181 0.000 1.134 474 D CA 0.050 53.926 54.000 -0.207 0.000 0.930 474 D CB 0.378 41.132 40.800 -0.078 0.000 1.175 474 D HN 0.133 nan 8.370 nan 0.000 0.437 475 Y N 0.083 120.378 120.300 -0.008 0.000 2.308 475 Y HA 0.296 4.846 4.550 -0.000 0.000 0.329 475 Y C 0.449 176.339 175.900 -0.018 0.000 1.111 475 Y CA -0.995 57.097 58.100 -0.014 0.000 1.179 475 Y CB 1.271 39.719 38.460 -0.019 0.000 1.201 475 Y HN 0.203 nan 8.280 nan 0.000 0.483 476 C N 4.249 123.649 119.300 0.166 0.000 2.396 476 C HA 0.801 5.261 4.460 -0.000 0.000 0.321 476 C C -0.825 174.190 174.990 0.042 0.000 1.233 476 C CA -0.660 58.405 59.018 0.078 0.000 1.440 476 C CB -0.311 27.468 27.740 0.065 0.000 2.110 476 C HN 0.619 nan 8.230 nan 0.000 0.473 477 V N 6.896 126.810 119.914 0.000 0.000 2.407 477 V HA 0.532 4.651 4.120 -0.000 0.000 0.278 477 V C -0.041 176.032 176.094 -0.034 0.000 1.037 477 V CA -0.189 62.089 62.300 -0.036 0.000 0.900 477 V CB 1.499 33.282 31.823 -0.066 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.653 126.539 119.914 -0.046 0.000 2.604 478 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 478 V C -0.375 175.646 176.094 -0.122 0.000 1.043 478 V CA -0.491 61.787 62.300 -0.037 0.000 0.888 478 V CB 2.030 33.861 31.823 0.014 0.000 0.995 478 V HN 0.690 nan 8.190 nan 0.000 0.429 479 I N 5.504 126.020 120.570 -0.089 0.000 2.447 479 I HA 0.713 4.883 4.170 -0.000 0.000 0.287 479 I C -0.453 175.615 176.117 -0.082 0.000 1.023 479 I CA -0.247 60.965 61.300 -0.148 0.000 1.083 479 I CB 1.652 39.616 38.000 -0.059 0.000 1.245 479 I HN 1.031 nan 8.210 nan 0.000 0.434 480 H N 3.878 122.916 119.070 -0.053 0.000 2.888 480 H HA 0.791 5.347 4.556 -0.000 0.000 0.267 480 H C -0.972 174.301 175.328 -0.091 0.000 1.482 480 H CA -1.008 55.001 56.048 -0.066 0.000 1.165 480 H CB 0.464 30.181 29.762 -0.075 0.000 1.866 480 H HN 0.542 nan 8.280 nan 0.000 0.599 481 A N 0.389 123.271 122.820 0.105 0.000 2.313 481 A HA 0.421 4.741 4.320 -0.000 0.000 0.261 481 A C -0.127 177.490 177.584 0.055 0.000 1.090 481 A CA 0.159 52.186 52.037 -0.017 0.000 0.807 481 A CB -0.295 18.643 19.000 -0.104 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.052 119.301 120.400 -0.079 0.000 2.440 482 D HA 0.126 4.766 4.640 -0.000 0.000 0.269 482 D C 0.790 177.027 176.300 -0.105 0.000 1.249 482 D CA -0.071 53.833 54.000 -0.160 0.000 1.055 482 D CB -0.091 40.611 40.800 -0.162 0.000 1.104 482 D HN 0.466 nan 8.370 nan 0.000 0.561 483 H N -0.963 118.097 119.070 -0.017 0.000 2.389 483 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 483 H C 1.765 177.072 175.328 -0.036 0.000 1.081 483 H CA 1.344 57.376 56.048 -0.027 0.000 1.345 483 H CB -0.078 29.671 29.762 -0.022 0.000 1.393 483 H HN 0.473 nan 8.280 nan 0.000 0.520 484 K N 0.834 121.278 120.400 0.074 0.000 2.031 484 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 484 K C 0.416 177.001 176.600 -0.025 0.000 1.049 484 K CA 0.278 56.577 56.287 0.021 0.000 0.939 484 K CB 0.180 32.688 32.500 0.014 0.000 0.717 484 K HN -0.072 nan 8.250 nan 0.000 0.438 485 V N 3.306 123.175 119.914 -0.075 0.000 2.637 485 V HA 0.035 4.155 4.120 -0.000 0.000 0.296 485 V C -0.070 175.919 176.094 -0.175 0.000 1.046 485 V CA 0.309 62.514 62.300 -0.159 0.000 1.066 485 V CB 1.058 32.698 31.823 -0.305 0.000 0.968 485 V HN 0.213 nan 8.190 nan 0.000 0.483 486 K N 3.157 123.469 120.400 -0.146 0.000 2.482 486 K HA 0.625 4.945 4.320 -0.000 0.000 0.251 486 K C 0.555 177.133 176.600 -0.035 0.000 0.936 486 K CA 0.014 56.247 56.287 -0.091 0.000 0.791 486 K CB 1.954 34.431 32.500 -0.039 0.000 1.213 486 K HN 0.906 nan 8.250 nan 0.000 0.428 487 G N 1.925 110.724 108.800 -0.002 0.000 2.229 487 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.189 487 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.189 487 G C -0.561 174.494 174.900 0.259 0.000 1.000 487 G CA 0.375 45.551 45.100 0.127 0.000 0.663 487 G HN 0.697 nan 8.290 nan 0.000 0.493 488 Y N -2.962 117.346 120.300 0.012 0.000 2.851 488 Y HA 0.697 5.247 4.550 -0.000 0.000 0.359 488 Y C -0.571 175.338 175.900 0.014 0.000 1.231 488 Y CA -1.169 56.940 58.100 0.014 0.000 1.106 488 Y CB 0.409 38.877 38.460 0.012 0.000 1.409 488 Y HN 1.117 nan 8.280 nan 0.000 0.454 489 A N 1.343 124.228 122.820 0.109 0.000 2.260 489 A HA 0.446 4.766 4.320 -0.000 0.000 0.314 489 A C -0.146 177.471 177.584 0.055 0.000 1.257 489 A CA -0.303 51.734 52.037 -0.001 0.000 0.871 489 A CB -0.426 18.593 19.000 0.032 0.000 1.166 489 A HN 0.954 nan 8.150 nan 0.000 0.522 490 N N 1.634 120.283 118.700 -0.085 0.000 2.203 490 N HA 0.103 4.843 4.740 -0.000 0.000 0.207 490 N C 0.090 175.570 175.510 -0.049 0.000 1.130 490 N CA -0.214 52.838 53.050 0.004 0.000 0.861 490 N CB 0.401 38.873 38.487 -0.025 0.000 1.005 490 N HN 0.669 nan 8.380 nan 0.000 0.507 491 Q N 0.453 120.186 119.800 -0.112 0.000 2.372 491 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 491 Q C -1.707 174.164 176.000 -0.216 0.000 1.078 491 Q CA -0.709 54.991 55.803 -0.171 0.000 0.806 491 Q CB 2.471 31.071 28.738 -0.230 0.000 1.332 491 Q HN 0.102 nan 8.270 nan 0.000 0.435 492 T N 2.328 116.775 114.554 -0.178 0.000 2.876 492 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 492 T C -1.468 173.136 174.700 -0.160 0.000 1.014 492 T CA -0.478 61.519 62.100 -0.173 0.000 0.986 492 T CB 0.898 69.697 68.868 -0.115 0.000 1.021 492 T HN 0.621 nan 8.240 nan 0.000 0.458 493 R N 3.153 123.561 120.500 -0.154 0.000 2.628 493 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 493 R C -0.888 175.362 176.300 -0.083 0.000 0.980 493 R CA -0.698 55.337 56.100 -0.108 0.000 0.891 493 R CB 1.950 32.194 30.300 -0.093 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.949 125.468 120.570 -0.085 0.000 2.307 494 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 494 I C -0.655 175.446 176.117 -0.027 0.000 1.021 494 I CA -0.716 60.530 61.300 -0.090 0.000 1.224 494 I CB 0.594 38.474 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.764 127.009 121.223 0.036 0.000 2.334 495 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 495 L C -0.558 176.405 176.870 0.155 0.000 1.014 495 L CA -0.899 53.988 54.840 0.079 0.000 0.815 495 L CB 0.941 43.032 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.171 124.484 121.223 0.150 0.000 2.349 496 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 496 L C -0.057 176.845 176.870 0.053 0.000 1.115 496 L CA -0.059 54.854 54.840 0.121 0.000 0.820 496 L CB 1.563 43.680 42.059 0.096 0.000 1.135 496 L HN 0.640 nan 8.230 nan 0.000 0.445 497 V N 2.794 122.719 119.914 0.017 0.000 2.439 497 V HA 0.698 4.818 4.120 -0.000 0.000 0.282 497 V C -0.273 175.818 176.094 -0.003 0.000 1.039 497 V CA -0.352 61.955 62.300 0.011 0.000 0.913 497 V CB 1.245 33.076 31.823 0.013 0.000 0.983 497 V HN 0.934 nan 8.190 nan 0.000 0.460 498 E N 0.000 120.202 120.200 0.004 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 498 E CB 0.000 29.702 29.700 0.004 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440