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 2wsl_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIIIATKNGK VRGMQLTVFG GTVTAFLGIP YAQPPLGRLR FKKPQSLTKW DATA SEQUENCE SDIWNATKYA NScXQNIDQS FPGFHGSEMW NPNTDLSEDc LYLNVWIPAP DATA SEQUENCE KPKNATVLIW IYGGGFQTGT SSLHVYDGKF LARVERVIVV SMNYRVGALG DATA SEQUENCE FLALPGNPEA PGNMGLFDQQ LALQWVQKNI AAFGGNPKSV TLFGESAGAA DATA SEQUENCE SVSLHLLSPG SHSLFTRAIL QSGSFNAPWA VTSLYEARNR TLNLAKLTGc DATA SEQUENCE SRENETEIIK cLRNKDPQEI LLNEAFVVPY GTPLSVNFGP TVDGDFLTDM DATA SEQUENCE PDILLELGQF KKTQILVGVN KDEGTAFLVY GAPGFSKDNN SIITRKEFQE DATA SEQUENCE GLKIFFPGVS EFGKESILFH YTDWVDDQRP ENYREALGDV VGDYNFIcPA DATA SEQUENCE LEFTKKFSEW GNNAFFYYFE HRSSKLPWPE WMGVMHGYEI EFVFGLPLER DATA SEQUENCE RDQYTKAEEI LSRSIVKRWA NFAKYGNPQE TQNQSTSWPV FKSTEQKYLT DATA SEQUENCE LNTESTRIMT KLRAQQcRFW TSFFPKV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.321 176.300 0.035 0.000 2.045 3 D CA 0.000 54.009 54.000 0.015 0.000 0.868 3 D CB 0.000 40.812 40.800 0.021 0.000 0.688 4 I N 3.531 124.127 120.570 0.044 0.000 2.382 4 I HA 0.531 4.698 4.170 -0.004 0.000 0.285 4 I C -0.257 175.975 176.117 0.193 0.000 1.007 4 I CA -0.481 60.880 61.300 0.102 0.000 1.142 4 I CB 1.355 39.406 38.000 0.085 0.000 1.289 4 I HN 0.307 nan 8.210 nan 0.000 0.453 5 I N 6.277 126.948 120.570 0.170 0.000 2.436 5 I HA 0.493 4.661 4.170 -0.004 0.000 0.289 5 I C -0.703 175.466 176.117 0.088 0.000 1.010 5 I CA -0.561 60.845 61.300 0.177 0.000 1.098 5 I CB 1.748 39.820 38.000 0.120 0.000 1.266 5 I HN 0.329 nan 8.210 nan 0.000 0.434 6 I N 4.924 125.510 120.570 0.027 0.000 2.433 6 I HA 0.459 4.627 4.170 -0.004 0.000 0.292 6 I C 0.322 176.330 176.117 -0.183 0.000 1.001 6 I CA -0.661 60.486 61.300 -0.255 0.000 1.119 6 I CB 1.908 39.393 38.000 -0.858 0.000 1.289 6 I HN 0.563 nan 8.210 nan 0.000 0.438 7 A N 5.128 127.834 122.820 -0.191 0.000 2.310 7 A HA 0.538 4.855 4.320 -0.004 0.000 0.300 7 A C 0.567 178.039 177.584 -0.186 0.000 1.269 7 A CA -0.311 51.643 52.037 -0.140 0.000 0.909 7 A CB -0.075 18.858 19.000 -0.112 0.000 1.144 7 A HN 0.809 nan 8.150 nan 0.000 0.540 8 T N 0.071 114.541 114.554 -0.140 0.000 2.897 8 T HA 0.332 4.680 4.350 -0.004 0.000 0.278 8 T C 1.012 175.595 174.700 -0.194 0.000 0.981 8 T CA -0.654 61.366 62.100 -0.134 0.000 0.973 8 T CB 0.766 69.662 68.868 0.046 0.000 1.092 8 T HN 0.463 nan 8.240 nan 0.000 0.543 9 K N 0.788 121.068 120.400 -0.201 0.000 2.152 9 K HA -0.072 4.245 4.320 -0.004 0.000 0.206 9 K C 1.256 177.719 176.600 -0.228 0.000 1.048 9 K CA 1.237 57.411 56.287 -0.189 0.000 0.933 9 K CB -0.269 32.129 32.500 -0.170 0.000 0.721 9 K HN 0.583 nan 8.250 nan 0.000 0.447 10 N N -0.174 118.335 118.700 -0.320 0.000 2.203 10 N HA 0.084 4.821 4.740 -0.004 0.000 0.207 10 N C 0.502 175.281 175.510 -1.219 0.000 1.130 10 N CA 0.422 53.147 53.050 -0.541 0.000 0.861 10 N CB 1.547 39.817 38.487 -0.362 0.000 1.005 10 N HN 0.196 nan 8.380 nan 0.000 0.507 11 G N 0.544 108.767 108.800 -0.961 0.000 2.359 11 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.314 11 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.314 11 G C -1.527 173.178 174.900 -0.325 0.000 1.364 11 G CA -0.932 43.544 45.100 -1.039 0.000 0.978 11 G HN -0.049 nan 8.290 nan 0.000 0.615 12 K N -0.395 120.018 120.400 0.022 0.000 2.218 12 K HA 0.556 4.874 4.320 -0.004 0.000 0.276 12 K C 0.369 177.273 176.600 0.506 0.000 1.022 12 K CA -0.381 56.035 56.287 0.214 0.000 0.946 12 K CB 1.709 34.315 32.500 0.176 0.000 1.000 12 K HN 1.014 nan 8.250 nan 0.000 0.468 13 V N 0.296 120.463 119.914 0.422 0.000 2.604 13 V HA 0.525 4.643 4.120 -0.004 0.000 0.305 13 V C -0.600 175.786 176.094 0.487 0.000 1.043 13 V CA -1.142 61.487 62.300 0.548 0.000 0.888 13 V CB 1.650 33.835 31.823 0.602 0.000 0.995 13 V HN 0.784 nan 8.190 nan 0.000 0.429 14 R N 2.830 123.594 120.500 0.441 0.000 2.312 14 R HA 0.723 5.061 4.340 -0.004 0.000 0.311 14 R C 0.342 176.810 176.300 0.280 0.000 1.004 14 R CA 0.218 56.513 56.100 0.325 0.000 0.902 14 R CB 1.398 31.798 30.300 0.167 0.000 1.073 14 R HN 1.137 nan 8.270 nan 0.000 0.457 15 G N 3.206 112.013 108.800 0.011 0.000 2.671 15 G HA2 0.550 4.508 3.960 -0.004 0.000 0.275 15 G HA3 0.550 4.508 3.960 -0.004 0.000 0.275 15 G C -0.568 174.107 174.900 -0.375 0.000 1.368 15 G CA -0.861 43.867 45.100 -0.620 0.000 1.044 15 G HN 0.663 nan 8.290 nan 0.000 0.543 16 M N -1.515 117.829 119.600 -0.426 0.000 2.575 16 M HA 0.562 5.040 4.480 -0.004 0.000 0.284 16 M C -1.454 174.720 176.300 -0.209 0.000 1.253 16 M CA -1.055 54.101 55.300 -0.240 0.000 0.861 16 M CB 2.449 34.938 32.600 -0.184 0.000 1.733 16 M HN 0.210 nan 8.290 nan 0.000 0.462 17 Q N 2.618 122.343 119.800 -0.125 0.000 2.241 17 Q HA 0.683 5.021 4.340 -0.004 0.000 0.254 17 Q C -1.288 174.672 176.000 -0.066 0.000 0.917 17 Q CA -0.240 55.515 55.803 -0.081 0.000 0.919 17 Q CB 2.246 30.955 28.738 -0.049 0.000 1.237 17 Q HN 0.764 nan 8.270 nan 0.000 0.434 18 L N 1.160 122.353 121.223 -0.050 0.000 2.362 18 L HA 0.487 4.824 4.340 -0.004 0.000 0.271 18 L C 0.042 176.884 176.870 -0.048 0.000 1.002 18 L CA -0.805 54.004 54.840 -0.051 0.000 0.818 18 L CB 2.040 44.069 42.059 -0.050 0.000 1.298 18 L HN 0.404 nan 8.230 nan 0.000 0.420 19 T N 2.391 116.917 114.554 -0.047 0.000 2.743 19 T HA 0.499 4.847 4.350 -0.004 0.000 0.293 19 T C -0.248 174.406 174.700 -0.077 0.000 0.945 19 T CA -0.283 61.795 62.100 -0.036 0.000 1.030 19 T CB 1.056 69.918 68.868 -0.011 0.000 0.912 19 T HN 0.257 nan 8.240 nan 0.000 0.483 20 V N 4.651 124.509 119.914 -0.094 0.000 2.567 20 V HA 0.380 4.497 4.120 -0.004 0.000 0.298 20 V C -0.198 175.842 176.094 -0.091 0.000 1.047 20 V CA -1.117 61.038 62.300 -0.242 0.000 0.880 20 V CB 0.668 32.256 31.823 -0.391 0.000 1.009 20 V HN 1.080 nan 8.190 nan 0.000 0.429 21 F N 3.235 123.239 119.950 0.090 0.000 2.969 21 F HA -0.238 4.287 4.527 -0.004 0.000 0.273 21 F C 1.643 177.472 175.800 0.048 0.000 0.986 21 F CA 0.630 58.672 58.000 0.069 0.000 0.926 21 F CB -1.036 38.010 39.000 0.076 0.000 0.887 21 F HN 1.048 nan 8.300 nan 0.000 0.816 22 G N -0.203 108.712 108.800 0.191 0.000 2.203 22 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.263 22 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.263 22 G C 0.494 175.451 174.900 0.095 0.000 1.012 22 G CA 0.321 45.492 45.100 0.117 0.000 0.749 22 G HN 1.411 nan 8.290 nan 0.000 0.512 23 G N -2.309 106.546 108.800 0.091 0.000 3.135 23 G HA2 0.823 4.780 3.960 -0.004 0.000 0.278 23 G HA3 0.823 4.780 3.960 -0.004 0.000 0.278 23 G C -0.833 174.089 174.900 0.037 0.000 1.302 23 G CA 0.353 45.495 45.100 0.069 0.000 0.880 23 G HN 0.731 nan 8.290 nan 0.000 0.574 24 T N -0.412 114.163 114.554 0.035 0.000 2.886 24 T HA 0.607 4.954 4.350 -0.004 0.000 0.292 24 T C -1.034 173.683 174.700 0.028 0.000 1.012 24 T CA -0.281 61.830 62.100 0.020 0.000 0.982 24 T CB 1.962 70.845 68.868 0.024 0.000 1.018 24 T HN 0.411 nan 8.240 nan 0.000 0.451 25 V N 2.470 122.394 119.914 0.017 0.000 2.656 25 V HA 0.535 4.653 4.120 -0.004 0.000 0.307 25 V C -0.061 176.063 176.094 0.050 0.000 1.051 25 V CA -0.808 61.526 62.300 0.057 0.000 0.893 25 V CB 2.342 34.195 31.823 0.051 0.000 0.999 25 V HN 1.014 nan 8.190 nan 0.000 0.426 26 T N 4.106 118.708 114.554 0.079 0.000 2.733 26 T HA 0.661 5.008 4.350 -0.004 0.000 0.294 26 T C 0.032 174.693 174.700 -0.066 0.000 0.956 26 T CA -0.193 61.891 62.100 -0.028 0.000 0.987 26 T CB 1.211 70.091 68.868 0.020 0.000 0.920 26 T HN 0.904 nan 8.240 nan 0.000 0.470 27 A N 3.335 125.993 122.820 -0.269 0.000 2.304 27 A HA 0.780 5.098 4.320 -0.004 0.000 0.323 27 A C -0.830 176.400 177.584 -0.590 0.000 1.195 27 A CA -0.701 51.097 52.037 -0.400 0.000 0.826 27 A CB 0.321 19.106 19.000 -0.358 0.000 1.184 27 A HN 0.764 nan 8.150 nan 0.000 0.496 28 F N 3.000 122.780 119.950 -0.283 0.000 2.359 28 F HA 0.399 4.923 4.527 -0.004 0.000 0.369 28 F C -0.177 175.445 175.800 -0.297 0.000 1.084 28 F CA -0.307 57.608 58.000 -0.143 0.000 1.096 28 F CB 1.100 40.131 39.000 0.051 0.000 1.335 28 F HN 0.337 nan 8.300 nan 0.000 0.457 29 L N 2.488 123.600 121.223 -0.184 0.000 2.289 29 L HA 0.648 4.985 4.340 -0.004 0.000 0.285 29 L C 0.956 177.812 176.870 -0.023 0.000 1.049 29 L CA -0.811 53.876 54.840 -0.255 0.000 0.804 29 L CB 1.334 43.095 42.059 -0.497 0.000 1.195 29 L HN 0.846 nan 8.230 nan 0.000 0.428 30 G N 3.565 112.388 108.800 0.038 0.000 2.256 30 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.272 30 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.272 30 G C -0.125 174.915 174.900 0.233 0.000 1.076 30 G CA -0.445 44.739 45.100 0.140 0.000 0.882 30 G HN 0.510 nan 8.290 nan 0.000 0.497 31 I N 1.903 122.501 120.570 0.046 0.000 2.471 31 I HA 0.215 4.382 4.170 -0.004 0.000 0.286 31 I C -1.323 174.639 176.117 -0.258 0.000 1.079 31 I CA -2.039 59.129 61.300 -0.219 0.000 1.398 31 I CB 0.959 38.796 38.000 -0.272 0.000 1.403 31 I HN 0.014 nan 8.210 nan 0.000 0.530 32 P HA 0.016 nan 4.420 nan 0.000 0.275 32 P C -0.729 176.331 177.300 -0.401 0.000 1.227 32 P CA 0.184 62.878 63.100 -0.678 0.000 0.781 32 P CB 0.439 31.617 31.700 -0.869 0.000 0.906 33 Y N 1.089 121.122 120.300 -0.445 0.000 2.527 33 Y HA 0.747 5.295 4.550 -0.004 0.000 0.247 33 Y C -0.135 175.704 175.900 -0.102 0.000 1.138 33 Y CA -0.700 57.242 58.100 -0.262 0.000 1.228 33 Y CB 0.241 38.489 38.460 -0.354 0.000 1.252 33 Y HN 0.482 nan 8.280 nan 0.000 0.531 34 A N 0.278 122.797 122.820 -0.501 0.000 2.610 34 A HA 0.466 4.783 4.320 -0.004 0.000 0.291 34 A C -1.296 176.105 177.584 -0.305 0.000 1.086 34 A CA -0.966 50.876 52.037 -0.326 0.000 0.677 34 A CB 1.088 19.853 19.000 -0.393 0.000 1.278 34 A HN 0.070 nan 8.150 nan 0.000 0.414 35 Q N 0.845 120.546 119.800 -0.166 0.000 2.286 35 Q HA 0.191 4.529 4.340 -0.004 0.000 0.290 35 Q C -2.208 173.690 176.000 -0.170 0.000 1.049 35 Q CA -0.924 54.801 55.803 -0.129 0.000 0.923 35 Q CB 0.102 28.801 28.738 -0.065 0.000 1.183 35 Q HN 0.335 nan 8.270 nan 0.000 0.383 36 P HA -0.006 nan 4.420 nan 0.000 0.261 36 P C -2.283 174.954 177.300 -0.105 0.000 1.183 36 P CA -0.736 62.287 63.100 -0.130 0.000 0.761 36 P CB 0.051 31.717 31.700 -0.058 0.000 0.785 37 P HA 0.114 nan 4.420 nan 0.000 0.220 37 P C -0.670 176.561 177.300 -0.116 0.000 1.806 37 P CA 0.304 63.337 63.100 -0.111 0.000 0.976 37 P CB 0.002 31.630 31.700 -0.121 0.000 1.952 38 L N -0.312 120.857 121.223 -0.090 0.000 2.358 38 L HA 0.658 4.996 4.340 -0.004 0.000 0.268 38 L C 1.664 178.489 176.870 -0.075 0.000 1.032 38 L CA -0.430 54.360 54.840 -0.084 0.000 0.805 38 L CB 0.558 42.585 42.059 -0.053 0.000 1.253 38 L HN 0.290 nan 8.230 nan 0.000 0.452 39 G N 1.453 110.210 108.800 -0.072 0.000 2.634 39 G HA2 -0.390 3.568 3.960 -0.004 0.000 0.318 39 G HA3 -0.390 3.568 3.960 -0.004 0.000 0.318 39 G C 1.020 175.892 174.900 -0.047 0.000 1.207 39 G CA 0.771 45.841 45.100 -0.050 0.000 0.987 39 G HN 0.933 nan 8.290 nan 0.000 0.547 40 R N 1.409 121.893 120.500 -0.027 0.000 2.280 40 R HA 0.191 4.529 4.340 -0.004 0.000 0.207 40 R C 2.325 178.613 176.300 -0.019 0.000 1.043 40 R CA 1.761 57.854 56.100 -0.012 0.000 1.006 40 R CB -0.332 29.966 30.300 -0.004 0.000 0.885 40 R HN 0.587 nan 8.270 nan 0.000 0.467 41 L N 0.846 122.042 121.223 -0.044 0.000 2.509 41 L HA 0.182 4.520 4.340 -0.004 0.000 0.222 41 L C 1.398 178.213 176.870 -0.091 0.000 1.123 41 L CA -0.142 54.666 54.840 -0.054 0.000 0.856 41 L CB -0.216 41.807 42.059 -0.060 0.000 0.985 41 L HN 0.113 nan 8.230 nan 0.000 0.456 42 R N 0.678 121.088 120.500 -0.150 0.000 2.538 42 R HA -0.103 4.235 4.340 -0.004 0.000 0.282 42 R C 0.043 176.193 176.300 -0.250 0.000 1.009 42 R CA 0.341 56.236 56.100 -0.340 0.000 1.063 42 R CB 0.133 30.124 30.300 -0.514 0.000 0.945 42 R HN 0.117 nan 8.270 nan 0.000 0.414 43 F N 0.065 119.982 119.950 -0.054 0.000 2.656 43 F HA -0.307 4.218 4.527 -0.004 0.000 0.381 43 F C 0.029 175.796 175.800 -0.055 0.000 0.603 43 F CA 1.040 59.005 58.000 -0.058 0.000 1.335 43 F CB -1.438 37.532 39.000 -0.049 0.000 1.836 43 F HN 0.572 nan 8.300 nan 0.000 0.290 44 K N 1.169 121.609 120.400 0.067 0.000 2.087 44 K HA 0.467 4.785 4.320 -0.004 0.000 0.255 44 K C 0.447 177.032 176.600 -0.026 0.000 0.988 44 K CA -1.068 55.228 56.287 0.015 0.000 0.915 44 K CB 1.063 33.557 32.500 -0.010 0.000 1.043 44 K HN -0.009 nan 8.250 nan 0.000 0.457 45 K N 2.485 122.843 120.400 -0.070 0.000 2.559 45 K HA -0.026 4.292 4.320 -0.004 0.000 0.279 45 K C -2.137 174.420 176.600 -0.071 0.000 0.967 45 K CA -0.792 55.424 56.287 -0.118 0.000 1.000 45 K CB -0.112 32.197 32.500 -0.318 0.000 0.890 45 K HN 0.380 nan 8.250 nan 0.000 0.501 46 P HA -0.011 nan 4.420 nan 0.000 0.271 46 P C -1.029 176.255 177.300 -0.026 0.000 1.216 46 P CA -0.046 63.039 63.100 -0.025 0.000 0.776 46 P CB 0.869 32.584 31.700 0.024 0.000 0.881 47 Q N 0.973 120.749 119.800 -0.041 0.000 2.235 47 Q HA 0.301 4.639 4.340 -0.004 0.000 0.256 47 Q C 0.511 176.505 176.000 -0.010 0.000 0.951 47 Q CA -0.523 55.265 55.803 -0.025 0.000 0.890 47 Q CB 1.239 29.959 28.738 -0.031 0.000 1.279 47 Q HN 0.544 nan 8.270 nan 0.000 0.444 48 S N 0.728 116.438 115.700 0.017 0.000 2.576 48 S HA 0.245 4.712 4.470 -0.004 0.000 0.272 48 S C 0.217 174.839 174.600 0.037 0.000 1.352 48 S CA -0.727 57.500 58.200 0.044 0.000 1.021 48 S CB 0.447 63.680 63.200 0.054 0.000 0.887 48 S HN 0.452 nan 8.310 nan 0.000 0.542 49 L N 2.169 123.432 121.223 0.067 0.000 2.371 49 L HA 0.329 4.667 4.340 -0.004 0.000 0.272 49 L C 1.661 178.590 176.870 0.098 0.000 1.124 49 L CA 0.429 55.320 54.840 0.084 0.000 0.816 49 L CB 0.858 43.003 42.059 0.142 0.000 1.129 49 L HN 1.064 nan 8.230 nan 0.000 0.448 50 T N 0.784 115.406 114.554 0.113 0.000 2.995 50 T HA 0.018 4.366 4.350 -0.004 0.000 0.269 50 T C 0.312 175.075 174.700 0.104 0.000 1.091 50 T CA 0.495 62.655 62.100 0.099 0.000 1.128 50 T CB -0.429 68.498 68.868 0.097 0.000 0.891 50 T HN 0.717 nan 8.240 nan 0.000 0.492 51 K N -0.247 120.247 120.400 0.158 0.000 6.218 51 K HA -0.116 4.201 4.320 -0.004 0.000 0.632 51 K C -1.344 175.376 176.600 0.200 0.000 2.514 51 K CA 0.067 56.388 56.287 0.056 0.000 1.962 51 K CB -1.609 30.849 32.500 -0.070 0.000 2.781 51 K HN 0.656 nan 8.250 nan 0.000 0.213 52 W N 1.981 123.331 121.300 0.084 0.000 3.022 52 W HA 0.640 5.298 4.660 -0.004 0.000 0.335 52 W C -0.385 176.192 176.519 0.098 0.000 1.133 52 W CA -0.240 57.168 57.345 0.106 0.000 1.219 52 W CB 0.912 30.471 29.460 0.166 0.000 1.409 52 W HN 0.890 nan 8.180 nan 0.000 0.507 53 S N 1.752 117.613 115.700 0.269 0.000 2.686 53 S HA 0.713 5.181 4.470 -0.004 0.000 0.270 53 S C -0.236 174.570 174.600 0.344 0.000 1.194 53 S CA 0.417 58.736 58.200 0.198 0.000 0.990 53 S CB 0.756 64.029 63.200 0.122 0.000 1.029 53 S HN 0.754 nan 8.310 nan 0.000 0.560 54 D N -0.856 119.687 120.400 0.239 0.000 5.703 54 D HA -0.158 4.479 4.640 -0.004 0.000 0.317 54 D C -0.899 175.614 176.300 0.355 0.000 2.508 54 D CA 1.070 55.212 54.000 0.237 0.000 1.333 54 D CB -0.726 40.183 40.800 0.181 0.000 1.145 54 D HN 0.706 nan 8.370 nan 0.000 1.293 55 I N 0.432 121.166 120.570 0.272 0.000 2.330 55 I HA 0.167 4.334 4.170 -0.004 0.000 0.289 55 I C 0.047 176.335 176.117 0.285 0.000 1.001 55 I CA -0.698 60.794 61.300 0.320 0.000 1.193 55 I CB 1.087 39.208 38.000 0.201 0.000 1.345 55 I HN 0.257 nan 8.210 nan 0.000 0.461 56 W N 7.202 128.649 121.300 0.244 0.000 2.368 56 W HA 0.129 4.787 4.660 -0.004 0.000 0.316 56 W C -0.423 176.147 176.519 0.084 0.000 1.375 56 W CA -0.225 57.125 57.345 0.008 0.000 1.261 56 W CB 0.591 29.953 29.460 -0.163 0.000 1.298 56 W HN 0.477 nan 8.180 nan 0.000 0.539 57 N N 5.100 123.640 118.700 -0.267 0.000 2.448 57 N HA 0.184 4.922 4.740 -0.004 0.000 0.250 57 N C 0.058 175.565 175.510 -0.006 0.000 1.136 57 N CA 0.108 53.095 53.050 -0.106 0.000 0.953 57 N CB 1.178 39.543 38.487 -0.203 0.000 1.251 57 N HN 0.379 nan 8.380 nan 0.000 0.502 58 A N 1.725 124.727 122.820 0.302 0.000 3.126 58 A HA 0.203 4.521 4.320 -0.004 0.000 0.268 58 A C 1.044 178.665 177.584 0.060 0.000 1.605 58 A CA -0.431 51.801 52.037 0.324 0.000 1.305 58 A CB -0.681 18.599 19.000 0.468 0.000 1.160 58 A HN 0.525 nan 8.150 nan 0.000 0.609 59 T N -2.605 111.931 114.554 -0.030 0.000 3.040 59 T HA 0.332 4.679 4.350 -0.004 0.000 0.266 59 T C 0.214 174.830 174.700 -0.141 0.000 1.005 59 T CA -0.071 61.964 62.100 -0.109 0.000 0.906 59 T CB -0.421 68.388 68.868 -0.098 0.000 1.082 59 T HN 0.709 nan 8.240 nan 0.000 0.531 60 K N -0.132 120.190 120.400 -0.130 0.000 2.556 60 K HA 0.545 4.863 4.320 -0.004 0.000 0.274 60 K C -1.695 174.842 176.600 -0.106 0.000 0.966 60 K CA -1.155 55.047 56.287 -0.142 0.000 0.865 60 K CB 0.809 33.262 32.500 -0.079 0.000 1.444 60 K HN -0.094 nan 8.250 nan 0.000 0.433 61 Y N 1.168 121.444 120.300 -0.039 0.000 2.597 61 Y HA 0.237 4.784 4.550 -0.004 0.000 0.336 61 Y C 1.017 176.871 175.900 -0.078 0.000 1.216 61 Y CA 0.568 58.649 58.100 -0.032 0.000 1.463 61 Y CB 0.726 39.185 38.460 -0.001 0.000 1.303 61 Y HN 0.777 nan 8.280 nan 0.000 0.576 62 A N 3.239 126.102 122.820 0.072 0.000 2.259 62 A HA 0.269 4.586 4.320 -0.004 0.000 0.278 62 A C 0.128 177.660 177.584 -0.086 0.000 1.107 62 A CA -0.919 51.015 52.037 -0.171 0.000 0.828 62 A CB 0.093 18.772 19.000 -0.535 0.000 1.111 62 A HN 0.803 nan 8.150 nan 0.000 0.498 63 N N 0.714 119.325 118.700 -0.148 0.000 2.294 63 N HA 0.049 4.786 4.740 -0.004 0.000 0.248 63 N C -0.015 175.508 175.510 0.022 0.000 1.242 63 N CA 0.517 53.542 53.050 -0.042 0.000 0.848 63 N CB 0.155 38.633 38.487 -0.015 0.000 1.084 63 N HN 0.517 nan 8.380 nan 0.000 0.457 64 S N 0.819 116.521 115.700 0.004 0.000 2.610 64 S HA 0.279 4.746 4.470 -0.004 0.000 0.273 64 S C 0.700 175.311 174.600 0.019 0.000 1.274 64 S CA -0.823 57.378 58.200 0.001 0.000 1.023 64 S CB 0.893 64.060 63.200 -0.055 0.000 0.962 64 S HN 0.512 nan 8.310 nan 0.000 0.523 68 N N 0.778 119.505 118.700 0.044 0.000 2.453 68 N HA 0.401 5.138 4.740 -0.004 0.000 0.253 68 N C -0.774 174.758 175.510 0.037 0.000 1.252 68 N CA 0.205 53.278 53.050 0.040 0.000 0.917 68 N CB 0.541 39.051 38.487 0.039 0.000 1.117 68 N HN 0.449 nan 8.380 nan 0.000 0.442 69 I N 0.286 120.880 120.570 0.040 0.000 2.603 69 I HA 0.058 4.226 4.170 -0.004 0.000 0.300 69 I C 0.094 176.253 176.117 0.070 0.000 1.017 69 I CA -0.712 60.618 61.300 0.050 0.000 1.098 69 I CB 1.510 39.535 38.000 0.042 0.000 1.279 69 I HN 0.333 nan 8.210 nan 0.000 0.437 70 D N 4.907 125.368 120.400 0.102 0.000 2.344 70 D HA 0.077 4.714 4.640 -0.004 0.000 0.253 70 D C -0.078 176.310 176.300 0.147 0.000 1.255 70 D CA 0.270 54.364 54.000 0.157 0.000 0.894 70 D CB 0.744 41.688 40.800 0.239 0.000 1.067 70 D HN 0.275 nan 8.370 nan 0.000 0.492 71 Q N 2.357 122.215 119.800 0.097 0.000 2.175 71 Q HA 0.128 4.466 4.340 -0.004 0.000 0.225 71 Q C 1.264 177.253 176.000 -0.019 0.000 0.837 71 Q CA -0.099 55.738 55.803 0.056 0.000 1.032 71 Q CB 0.654 29.414 28.738 0.038 0.000 1.137 71 Q HN 0.379 nan 8.270 nan 0.000 0.483 72 S N 0.110 115.763 115.700 -0.079 0.000 2.382 72 S HA -0.016 4.452 4.470 -0.004 0.000 0.228 72 S C 0.213 174.366 174.600 -0.744 0.000 1.027 72 S CA 1.037 58.938 58.200 -0.497 0.000 0.991 72 S CB 0.069 62.792 63.200 -0.795 0.000 0.823 72 S HN 0.320 nan 8.310 nan 0.000 0.469 73 F N 0.999 121.019 119.950 0.117 0.000 2.622 73 F HA 0.412 4.936 4.527 -0.004 0.000 0.338 73 F C -2.916 172.957 175.800 0.123 0.000 1.334 73 F CA -2.844 55.211 58.000 0.091 0.000 1.179 73 F CB 0.425 39.489 39.000 0.107 0.000 1.471 73 F HN -0.151 nan 8.300 nan 0.000 0.576 74 P HA 0.203 nan 4.420 nan 0.000 0.265 74 P C 1.019 178.410 177.300 0.152 0.000 1.193 74 P CA 1.029 64.212 63.100 0.138 0.000 0.765 74 P CB 0.908 32.655 31.700 0.078 0.000 0.823 75 G N 1.594 110.468 108.800 0.124 0.000 2.179 75 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.260 75 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.260 75 G C -0.155 174.833 174.900 0.147 0.000 0.977 75 G CA -0.332 44.830 45.100 0.103 0.000 0.641 75 G HN 0.535 nan 8.290 nan 0.000 0.533 76 F N 1.538 121.488 119.950 -0.001 0.000 2.404 76 F HA 0.714 5.239 4.527 -0.004 0.000 0.354 76 F C 1.210 176.954 175.800 -0.093 0.000 1.122 76 F CA -1.125 56.825 58.000 -0.083 0.000 1.080 76 F CB 1.163 40.075 39.000 -0.146 0.000 1.131 76 F HN 0.124 nan 8.300 nan 0.000 0.471 77 H N 4.014 122.650 119.070 -0.723 0.000 2.387 77 H HA 0.008 4.562 4.556 -0.004 0.000 0.299 77 H C 2.096 176.921 175.328 -0.838 0.000 1.090 77 H CA 2.062 57.720 56.048 -0.649 0.000 1.332 77 H CB -0.194 29.273 29.762 -0.491 0.000 1.386 77 H HN 0.803 nan 8.280 nan 0.000 0.516 78 G N -0.901 106.814 108.800 -1.809 0.000 2.442 78 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.219 78 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.219 78 G C 1.891 176.738 174.900 -0.088 0.000 1.141 78 G CA 1.357 45.703 45.100 -1.257 0.000 0.763 78 G HN 0.595 nan 8.290 nan 0.000 0.554 79 S N 0.070 115.738 115.700 -0.054 0.000 2.427 79 S HA 0.092 4.560 4.470 -0.004 0.000 0.224 79 S C 1.893 176.651 174.600 0.264 0.000 1.047 79 S CA 0.907 59.431 58.200 0.540 0.000 0.953 79 S CB -0.200 63.482 63.200 0.802 0.000 0.824 79 S HN 0.475 nan 8.310 nan 0.000 0.502 80 E N 2.090 122.296 120.200 0.010 0.000 2.204 80 E HA -0.107 4.240 4.350 -0.004 0.000 0.195 80 E C 2.111 178.590 176.600 -0.202 0.000 0.990 80 E CA 1.339 57.713 56.400 -0.043 0.000 0.821 80 E CB -0.496 29.181 29.700 -0.038 0.000 0.750 80 E HN 0.826 nan 8.360 nan 0.000 0.477 81 M N -1.476 117.821 119.600 -0.505 0.000 2.446 81 M HA -0.105 4.373 4.480 -0.004 0.000 0.263 81 M C 1.100 176.971 176.300 -0.715 0.000 1.066 81 M CA 1.474 56.331 55.300 -0.737 0.000 1.087 81 M CB -0.446 31.435 32.600 -1.198 0.000 1.406 81 M HN 0.053 nan 8.290 nan 0.000 0.459 82 W N 1.114 122.316 121.300 -0.162 0.000 2.942 82 W HA 0.232 4.889 4.660 -0.004 0.000 0.263 82 W C 0.437 176.884 176.519 -0.119 0.000 1.296 82 W CA -0.881 56.379 57.345 -0.142 0.000 1.504 82 W CB -0.197 29.222 29.460 -0.069 0.000 1.096 82 W HN 0.119 nan 8.180 nan 0.000 0.639 83 N N 2.360 121.105 118.700 0.075 0.000 2.453 83 N HA 0.066 4.804 4.740 -0.004 0.000 0.253 83 N C -2.313 173.166 175.510 -0.051 0.000 1.252 83 N CA -1.103 51.962 53.050 0.025 0.000 0.917 83 N CB -0.352 38.152 38.487 0.029 0.000 1.117 83 N HN -0.253 nan 8.380 nan 0.000 0.442 84 P HA 0.054 nan 4.420 nan 0.000 0.266 84 P C 0.104 177.348 177.300 -0.094 0.000 1.195 84 P CA -0.036 63.008 63.100 -0.094 0.000 0.768 84 P CB 0.373 32.029 31.700 -0.074 0.000 0.838 85 N N -0.048 118.577 118.700 -0.125 0.000 2.235 85 N HA 0.052 4.790 4.740 -0.004 0.000 0.231 85 N C -0.353 175.104 175.510 -0.088 0.000 1.177 85 N CA -0.287 52.696 53.050 -0.111 0.000 0.874 85 N CB -0.082 38.318 38.487 -0.144 0.000 1.097 85 N HN 0.395 nan 8.380 nan 0.000 0.518 86 T N -3.303 111.204 114.554 -0.078 0.000 2.901 86 T HA 0.438 4.785 4.350 -0.004 0.000 0.293 86 T C -0.905 173.771 174.700 -0.039 0.000 1.084 86 T CA -0.752 61.321 62.100 -0.046 0.000 1.008 86 T CB 1.367 70.217 68.868 -0.031 0.000 1.170 86 T HN -0.091 nan 8.240 nan 0.000 0.509 87 D N 0.963 121.344 120.400 -0.031 0.000 2.506 87 D HA 0.256 4.893 4.640 -0.004 0.000 0.234 87 D C -0.033 176.254 176.300 -0.021 0.000 1.143 87 D CA 0.318 54.302 54.000 -0.026 0.000 0.871 87 D CB 0.264 41.049 40.800 -0.026 0.000 1.190 87 D HN 0.414 nan 8.370 nan 0.000 0.459 88 L N 1.643 122.857 121.223 -0.015 0.000 2.326 88 L HA 0.468 4.806 4.340 -0.004 0.000 0.278 88 L C 0.380 177.249 176.870 -0.003 0.000 1.092 88 L CA -0.195 54.640 54.840 -0.008 0.000 0.810 88 L CB 1.121 43.176 42.059 -0.007 0.000 1.153 88 L HN 0.333 nan 8.230 nan 0.000 0.439 89 S N 0.682 116.385 115.700 0.006 0.000 2.547 89 S HA 0.200 4.668 4.470 -0.004 0.000 0.270 89 S C 0.273 174.880 174.600 0.011 0.000 1.150 89 S CA -0.640 57.565 58.200 0.009 0.000 0.850 89 S CB 1.660 64.873 63.200 0.020 0.000 1.118 89 S HN 0.748 nan 8.310 nan 0.000 0.461 90 E N 0.926 121.120 120.200 -0.009 0.000 2.268 90 E HA -0.089 4.259 4.350 -0.004 0.000 0.195 90 E C -0.274 176.322 176.600 -0.006 0.000 0.995 90 E CA 0.595 56.978 56.400 -0.029 0.000 0.836 90 E CB 0.075 29.733 29.700 -0.069 0.000 0.763 90 E HN 0.516 nan 8.360 nan 0.000 0.491 91 D N 0.358 120.779 120.400 0.035 0.000 2.517 91 D HA -0.005 4.633 4.640 -0.004 0.000 0.220 91 D C 0.064 176.507 176.300 0.239 0.000 1.158 91 D CA -0.276 53.782 54.000 0.097 0.000 0.992 91 D CB -0.091 40.776 40.800 0.111 0.000 1.058 91 D HN 0.149 nan 8.370 nan 0.000 0.516 92 c N 2.184 120.896 118.600 0.187 0.000 3.772 92 c HA 0.378 4.945 4.570 -0.004 0.000 0.293 92 c C 0.626 174.860 174.090 0.240 0.000 1.659 92 c CA -0.670 55.831 56.329 0.286 0.000 1.810 92 c CB -1.273 41.323 42.510 0.144 0.000 3.059 92 c HN 0.404 nan 8.230 nan 0.000 0.617 93 L N 2.521 123.635 121.223 -0.181 0.000 2.395 93 L HA 0.414 4.751 4.340 -0.004 0.000 0.268 93 L C -0.894 175.442 176.870 -0.890 0.000 1.223 93 L CA 0.470 54.988 54.840 -0.536 0.000 1.093 93 L CB -0.728 40.857 42.059 -0.790 0.000 1.349 93 L HN 0.365 nan 8.230 nan 0.000 0.427 94 Y N 2.039 122.356 120.300 0.029 0.000 2.576 94 Y HA 0.691 5.238 4.550 -0.004 0.000 0.346 94 Y C -0.096 175.953 175.900 0.248 0.000 1.018 94 Y CA -1.232 56.925 58.100 0.096 0.000 1.050 94 Y CB 2.017 40.499 38.460 0.038 0.000 1.280 94 Y HN 0.202 nan 8.280 nan 0.000 0.474 95 L N -0.394 120.946 121.223 0.196 0.000 2.341 95 L HA 0.781 5.119 4.340 -0.004 0.000 0.254 95 L C -1.389 175.442 176.870 -0.064 0.000 1.040 95 L CA -1.157 53.689 54.840 0.011 0.000 0.837 95 L CB 1.782 43.674 42.059 -0.278 0.000 1.425 95 L HN 0.465 nan 8.230 nan 0.000 0.414 96 N N -0.035 118.620 118.700 -0.074 0.000 2.238 96 N HA 0.732 5.470 4.740 -0.004 0.000 0.302 96 N C -1.514 173.837 175.510 -0.267 0.000 1.072 96 N CA -0.421 52.483 53.050 -0.244 0.000 0.792 96 N CB 2.872 41.155 38.487 -0.339 0.000 1.425 96 N HN 0.517 nan 8.380 nan 0.000 0.478 97 V N 1.467 121.176 119.914 -0.343 0.000 2.483 97 V HA 0.450 4.568 4.120 -0.004 0.000 0.297 97 V C -0.792 175.240 176.094 -0.104 0.000 1.027 97 V CA -0.807 61.411 62.300 -0.136 0.000 0.855 97 V CB 2.016 33.690 31.823 -0.248 0.000 0.995 97 V HN 0.543 nan 8.190 nan 0.000 0.424 98 W N 5.997 127.398 121.300 0.169 0.000 2.529 98 W HA 0.753 5.411 4.660 -0.004 0.000 0.321 98 W C -0.352 176.270 176.519 0.171 0.000 1.047 98 W CA -0.574 56.864 57.345 0.156 0.000 1.216 98 W CB 2.097 31.611 29.460 0.091 0.000 1.357 98 W HN 0.612 nan 8.180 nan 0.000 0.489 99 I N 1.688 122.498 120.570 0.400 0.000 2.608 99 I HA 0.606 4.773 4.170 -0.004 0.000 0.295 99 I C -2.496 173.767 176.117 0.243 0.000 1.049 99 I CA -3.075 58.416 61.300 0.319 0.000 1.063 99 I CB 2.300 40.526 38.000 0.377 0.000 1.248 99 I HN -0.047 nan 8.210 nan 0.000 0.424 100 P HA 0.247 nan 4.420 nan 0.000 0.272 100 P C -0.921 176.458 177.300 0.132 0.000 1.240 100 P CA -0.203 62.980 63.100 0.139 0.000 0.791 100 P CB 0.897 32.666 31.700 0.115 0.000 0.978 101 A N 2.145 125.026 122.820 0.101 0.000 2.343 101 A HA 0.685 5.003 4.320 -0.004 0.000 0.316 101 A C -2.335 175.293 177.584 0.073 0.000 1.104 101 A CA -1.561 50.528 52.037 0.087 0.000 0.768 101 A CB 0.198 19.240 19.000 0.071 0.000 1.213 101 A HN 0.407 nan 8.150 nan 0.000 0.456 102 P HA 0.119 nan 4.420 nan 0.000 0.272 102 P C -0.361 176.991 177.300 0.086 0.000 1.230 102 P CA -0.439 62.703 63.100 0.070 0.000 0.788 102 P CB 0.515 32.250 31.700 0.058 0.000 0.949 103 K N 2.593 123.050 120.400 0.095 0.000 2.530 103 K HA 0.013 4.331 4.320 -0.004 0.000 0.280 103 K C -1.776 174.881 176.600 0.095 0.000 1.004 103 K CA -0.795 55.559 56.287 0.113 0.000 1.071 103 K CB -0.260 32.303 32.500 0.105 0.000 0.876 103 K HN 0.355 nan 8.250 nan 0.000 0.487 104 P HA 0.093 nan 4.420 nan 0.000 0.276 104 P C -0.223 177.121 177.300 0.073 0.000 1.252 104 P CA -0.388 62.764 63.100 0.086 0.000 0.802 104 P CB 0.887 32.644 31.700 0.094 0.000 1.035 105 K N 0.269 120.705 120.400 0.059 0.000 2.128 105 K HA 0.023 4.340 4.320 -0.004 0.000 0.202 105 K C 0.499 177.126 176.600 0.044 0.000 1.050 105 K CA 1.093 57.408 56.287 0.046 0.000 0.966 105 K CB -0.063 32.461 32.500 0.039 0.000 0.759 105 K HN 0.390 nan 8.250 nan 0.000 0.454 106 N N -0.103 118.625 118.700 0.047 0.000 2.679 106 N HA 0.145 4.883 4.740 -0.004 0.000 0.240 106 N C -1.710 173.824 175.510 0.039 0.000 1.537 106 N CA -0.042 53.032 53.050 0.040 0.000 0.793 106 N CB 0.681 39.187 38.487 0.031 0.000 1.391 106 N HN 0.033 nan 8.380 nan 0.000 0.524 107 A N 0.248 123.098 122.820 0.050 0.000 2.371 107 A HA 0.526 4.844 4.320 -0.004 0.000 0.257 107 A C 0.587 178.185 177.584 0.023 0.000 1.089 107 A CA 0.073 52.135 52.037 0.042 0.000 0.794 107 A CB 0.165 19.205 19.000 0.067 0.000 1.029 107 A HN 0.315 nan 8.150 nan 0.000 0.488 108 T N 1.235 115.781 114.554 -0.012 0.000 2.932 108 T HA 0.369 4.716 4.350 -0.004 0.000 0.312 108 T C 0.054 174.752 174.700 -0.002 0.000 1.071 108 T CA 0.229 62.307 62.100 -0.038 0.000 1.128 108 T CB 0.313 69.111 68.868 -0.117 0.000 0.984 108 T HN 0.435 nan 8.240 nan 0.000 0.549 109 V N 4.784 124.705 119.914 0.011 0.000 2.448 109 V HA 0.432 4.550 4.120 -0.004 0.000 0.295 109 V C -0.108 176.015 176.094 0.048 0.000 1.025 109 V CA -0.782 61.551 62.300 0.055 0.000 0.859 109 V CB 1.507 33.377 31.823 0.079 0.000 0.988 109 V HN 0.670 nan 8.190 nan 0.000 0.431 110 L N 5.942 127.209 121.223 0.073 0.000 2.287 110 L HA 0.598 4.936 4.340 -0.004 0.000 0.287 110 L C -0.657 176.426 176.870 0.356 0.000 1.022 110 L CA -0.336 54.550 54.840 0.077 0.000 0.814 110 L CB 1.610 43.548 42.059 -0.201 0.000 1.217 110 L HN 0.507 nan 8.230 nan 0.000 0.420 111 I N 3.083 123.900 120.570 0.412 0.000 2.355 111 I HA 0.204 4.372 4.170 -0.004 0.000 0.288 111 I C -0.473 175.930 176.117 0.478 0.000 0.999 111 I CA -0.380 61.154 61.300 0.390 0.000 1.163 111 I CB 1.306 39.398 38.000 0.153 0.000 1.316 111 I HN 0.627 nan 8.210 nan 0.000 0.454 112 W N 8.493 129.903 121.300 0.183 0.000 2.316 112 W HA 0.538 5.195 4.660 -0.004 0.000 0.311 112 W C -1.389 175.029 176.519 -0.168 0.000 1.217 112 W CA -0.560 56.638 57.345 -0.245 0.000 1.199 112 W CB 1.086 30.422 29.460 -0.206 0.000 1.202 112 W HN 0.356 nan 8.180 nan 0.000 0.528 113 I N 8.990 128.943 120.570 -1.028 0.000 2.382 113 I HA 0.082 4.250 4.170 -0.004 0.000 0.285 113 I C -0.268 175.103 176.117 -1.243 0.000 1.007 113 I CA -1.123 59.656 61.300 -0.868 0.000 1.142 113 I CB 0.732 38.377 38.000 -0.592 0.000 1.289 113 I HN 0.288 nan 8.210 nan 0.000 0.453 114 Y N 4.461 124.365 120.300 -0.659 0.000 2.426 114 Y HA 0.673 5.221 4.550 -0.004 0.000 0.344 114 Y C 0.819 176.585 175.900 -0.224 0.000 1.256 114 Y CA -0.817 57.003 58.100 -0.468 0.000 1.451 114 Y CB -0.086 38.337 38.460 -0.061 0.000 1.342 114 Y HN 0.532 nan 8.280 nan 0.000 0.600 115 G N -0.831 108.014 108.800 0.074 0.000 2.531 115 G HA2 0.479 4.437 3.960 -0.004 0.000 0.281 115 G HA3 0.479 4.437 3.960 -0.004 0.000 0.281 115 G C 0.331 175.298 174.900 0.112 0.000 1.382 115 G CA -0.883 44.219 45.100 0.002 0.000 1.045 115 G HN 1.727 nan 8.290 nan 0.000 0.533 116 G N -2.946 105.817 108.800 -0.061 0.000 2.207 116 G HA2 0.406 4.364 3.960 -0.004 0.000 0.193 116 G HA3 0.406 4.364 3.960 -0.004 0.000 0.193 116 G C 1.023 175.866 174.900 -0.095 0.000 1.050 116 G CA 0.716 45.785 45.100 -0.052 0.000 0.780 116 G HN 2.344 nan 8.290 nan 0.000 0.504 117 G N -0.410 108.246 108.800 -0.240 0.000 2.179 117 G HA2 -0.124 3.834 3.960 -0.004 0.000 0.257 117 G HA3 -0.124 3.834 3.960 -0.004 0.000 0.257 117 G C 0.900 175.815 174.900 0.024 0.000 1.010 117 G CA 0.702 45.676 45.100 -0.210 0.000 0.736 117 G HN 1.768 nan 8.290 nan 0.000 0.513 118 F N -2.588 117.391 119.950 0.048 0.000 2.973 118 F HA -0.278 4.246 4.527 -0.004 0.000 0.299 118 F C 1.751 177.643 175.800 0.153 0.000 0.737 118 F CA 1.959 59.995 58.000 0.059 0.000 1.151 118 F CB -1.499 37.291 39.000 -0.349 0.000 1.440 118 F HN 0.439 nan 8.300 nan 0.000 0.367 119 Q N -0.766 119.176 119.800 0.237 0.000 2.353 119 Q HA 0.281 4.618 4.340 -0.004 0.000 0.240 119 Q C 1.172 177.261 176.000 0.147 0.000 0.868 119 Q CA 1.345 57.274 55.803 0.210 0.000 0.944 119 Q CB 0.913 29.737 28.738 0.143 0.000 1.104 119 Q HN 0.584 nan 8.270 nan 0.000 0.531 120 T N -3.146 111.473 114.554 0.108 0.000 2.812 120 T HA 0.797 5.145 4.350 -0.004 0.000 0.294 120 T C -0.029 174.675 174.700 0.007 0.000 1.159 120 T CA -0.395 61.731 62.100 0.044 0.000 1.008 120 T CB 2.417 71.297 68.868 0.021 0.000 1.289 120 T HN 0.296 nan 8.240 nan 0.000 0.514 121 G N -0.696 108.017 108.800 -0.145 0.000 2.362 121 G HA2 0.434 4.392 3.960 -0.004 0.000 0.656 121 G HA3 0.434 4.392 3.960 -0.004 0.000 0.656 121 G C -0.682 173.638 174.900 -0.967 0.000 1.376 121 G CA -0.068 44.751 45.100 -0.469 0.000 0.971 121 G HN 1.533 nan 8.290 nan 0.000 0.636 122 T N -1.611 112.255 114.554 -1.146 0.000 2.885 122 T HA 0.644 4.992 4.350 -0.004 0.000 0.322 122 T C 1.339 175.847 174.700 -0.321 0.000 1.387 122 T CA 0.958 62.574 62.100 -0.807 0.000 1.041 122 T CB 1.189 69.869 68.868 -0.312 0.000 1.287 122 T HN 2.038 nan 8.240 nan 0.000 0.491 123 S N 1.048 116.825 115.700 0.129 0.000 2.562 123 S HA 0.030 4.498 4.470 -0.004 0.000 0.221 123 S C 1.665 176.404 174.600 0.231 0.000 0.975 123 S CA 0.847 59.320 58.200 0.455 0.000 0.918 123 S CB -0.323 63.199 63.200 0.536 0.000 0.772 123 S HN 0.792 nan 8.310 nan 0.000 0.531 124 S N 1.067 116.685 115.700 -0.137 0.000 2.575 124 S HA 0.341 4.809 4.470 -0.004 0.000 0.215 124 S C 0.579 174.818 174.600 -0.602 0.000 0.966 124 S CA -0.622 57.116 58.200 -0.770 0.000 0.911 124 S CB -0.650 61.946 63.200 -1.008 0.000 0.780 124 S HN 0.478 nan 8.310 nan 0.000 0.514 125 L N 2.102 123.100 121.223 -0.375 0.000 2.506 125 L HA 0.062 4.400 4.340 -0.004 0.000 0.281 125 L C 2.181 178.779 176.870 -0.453 0.000 1.228 125 L CA 0.049 54.593 54.840 -0.494 0.000 0.850 125 L CB 0.100 41.666 42.059 -0.822 0.000 1.110 125 L HN 0.395 nan 8.230 nan 0.000 0.496 126 H N 2.235 121.035 119.070 -0.449 0.000 2.421 126 H HA -0.099 4.455 4.556 -0.004 0.000 0.298 126 H C 1.644 176.730 175.328 -0.402 0.000 1.087 126 H CA 1.881 57.740 56.048 -0.316 0.000 1.330 126 H CB 0.523 30.151 29.762 -0.223 0.000 1.388 126 H HN 0.585 nan 8.280 nan 0.000 0.526 127 V N -1.195 118.281 119.914 -0.730 0.000 3.380 127 V HA -0.101 4.016 4.120 -0.004 0.000 0.268 127 V C 0.731 176.216 176.094 -1.015 0.000 1.168 127 V CA 0.732 62.562 62.300 -0.784 0.000 1.156 127 V CB -1.071 30.340 31.823 -0.687 0.000 0.785 127 V HN 0.244 nan 8.190 nan 0.000 0.487 128 Y N -0.065 119.608 120.300 -1.045 0.000 2.607 128 Y HA 0.464 5.011 4.550 -0.004 0.000 0.266 128 Y C 0.779 175.997 175.900 -1.135 0.000 1.178 128 Y CA -2.009 55.053 58.100 -1.731 0.000 1.226 128 Y CB -0.636 37.234 38.460 -0.985 0.000 1.144 128 Y HN 0.232 nan 8.280 nan 0.000 0.528 129 D N 0.949 120.976 120.400 -0.622 0.000 2.363 129 D HA 0.077 4.714 4.640 -0.004 0.000 0.263 129 D C 1.365 177.253 176.300 -0.686 0.000 1.258 129 D CA 0.366 54.081 54.000 -0.474 0.000 0.907 129 D CB 1.274 41.910 40.800 -0.273 0.000 1.107 129 D HN 0.465 nan 8.370 nan 0.000 0.495 130 G N 3.740 111.624 108.800 -1.527 0.000 3.026 130 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.208 130 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.208 130 G C 1.372 175.644 174.900 -1.047 0.000 1.169 130 G CA 0.274 44.731 45.100 -1.072 0.000 0.788 130 G HN 0.596 nan 8.290 nan 0.000 0.533 131 K N -0.357 119.258 120.400 -1.309 0.000 2.148 131 K HA 0.015 4.333 4.320 -0.004 0.000 0.204 131 K C 1.649 177.912 176.600 -0.562 0.000 1.050 131 K CA 0.758 56.553 56.287 -0.821 0.000 0.942 131 K CB -0.396 31.687 32.500 -0.695 0.000 0.724 131 K HN 0.228 nan 8.250 nan 0.000 0.446 132 F N 1.958 121.752 119.950 -0.262 0.000 2.163 132 F HA 0.027 4.552 4.527 -0.004 0.000 0.297 132 F C 2.214 177.980 175.800 -0.056 0.000 1.094 132 F CA 0.648 58.553 58.000 -0.158 0.000 1.290 132 F CB -0.693 38.257 39.000 -0.083 0.000 1.017 132 F HN -0.148 nan 8.300 nan 0.000 0.483 133 L N -0.085 121.180 121.223 0.070 0.000 2.012 133 L HA -0.231 4.106 4.340 -0.004 0.000 0.210 133 L C 2.758 179.648 176.870 0.034 0.000 1.073 133 L CA 1.294 56.146 54.840 0.021 0.000 0.748 133 L CB -1.014 41.010 42.059 -0.059 0.000 0.891 133 L HN 0.179 nan 8.230 nan 0.000 0.431 134 A N 0.113 122.946 122.820 0.022 0.000 1.883 134 A HA -0.285 4.032 4.320 -0.004 0.000 0.217 134 A C 2.327 179.956 177.584 0.076 0.000 1.186 134 A CA 2.128 54.209 52.037 0.075 0.000 0.624 134 A CB -0.548 18.531 19.000 0.132 0.000 0.822 134 A HN 0.328 nan 8.150 nan 0.000 0.444 135 R N -0.344 120.190 120.500 0.055 0.000 2.073 135 R HA -0.073 4.265 4.340 -0.004 0.000 0.234 135 R C 1.816 178.202 176.300 0.143 0.000 1.134 135 R CA 2.329 58.483 56.100 0.090 0.000 0.952 135 R CB -0.997 29.334 30.300 0.053 0.000 0.850 135 R HN 0.252 nan 8.270 nan 0.000 0.433 136 V N 0.512 120.529 119.914 0.172 0.000 2.446 136 V HA -0.031 4.087 4.120 -0.004 0.000 0.244 136 V C 1.568 177.722 176.094 0.100 0.000 1.039 136 V CA 1.737 64.136 62.300 0.167 0.000 1.045 136 V CB -0.264 31.674 31.823 0.193 0.000 0.681 136 V HN 0.312 nan 8.190 nan 0.000 0.459 137 E N -0.401 119.846 120.200 0.078 0.000 2.498 137 E HA 0.155 4.503 4.350 -0.004 0.000 0.203 137 E C 0.249 176.880 176.600 0.051 0.000 1.013 137 E CA -0.171 56.261 56.400 0.053 0.000 0.927 137 E CB 0.319 30.035 29.700 0.027 0.000 1.012 137 E HN 0.424 nan 8.360 nan 0.000 0.482 138 R N 0.043 120.582 120.500 0.065 0.000 3.525 138 R HA -0.134 4.203 4.340 -0.004 0.000 0.276 138 R C 0.431 176.766 176.300 0.059 0.000 1.116 138 R CA 0.758 56.901 56.100 0.070 0.000 0.745 138 R CB -3.071 27.270 30.300 0.069 0.000 1.185 138 R HN 0.118 nan 8.270 nan 0.000 0.454 139 V N -2.375 117.570 119.914 0.051 0.000 2.834 139 V HA 0.658 4.776 4.120 -0.004 0.000 0.313 139 V C 1.168 177.319 176.094 0.096 0.000 1.060 139 V CA -1.135 61.191 62.300 0.043 0.000 0.989 139 V CB 2.324 34.145 31.823 -0.004 0.000 1.041 139 V HN 0.157 nan 8.190 nan 0.000 0.459 140 I N 2.197 122.835 120.570 0.113 0.000 2.365 140 I HA 0.412 4.579 4.170 -0.004 0.000 0.291 140 I C -0.463 175.776 176.117 0.204 0.000 1.004 140 I CA -0.487 60.918 61.300 0.175 0.000 1.311 140 I CB 1.710 39.805 38.000 0.159 0.000 1.401 140 I HN 0.435 nan 8.210 nan 0.000 0.491 141 V N 7.270 127.374 119.914 0.317 0.000 2.459 141 V HA 0.449 4.566 4.120 -0.004 0.000 0.295 141 V C -0.063 176.343 176.094 0.519 0.000 1.029 141 V CA -0.611 61.938 62.300 0.414 0.000 0.874 141 V CB 1.953 34.024 31.823 0.413 0.000 0.985 141 V HN 0.397 nan 8.190 nan 0.000 0.438 142 V N 3.704 123.884 119.914 0.443 0.000 2.680 142 V HA 0.840 4.958 4.120 -0.004 0.000 0.309 142 V C -0.157 176.186 176.094 0.415 0.000 1.052 142 V CA -0.377 62.127 62.300 0.340 0.000 0.908 142 V CB 2.265 34.202 31.823 0.190 0.000 1.001 142 V HN 1.035 nan 8.190 nan 0.000 0.431 143 S N 4.580 120.499 115.700 0.365 0.000 2.541 143 S HA 0.887 5.355 4.470 -0.004 0.000 0.271 143 S C -0.942 173.795 174.600 0.228 0.000 1.133 143 S CA -0.849 57.577 58.200 0.375 0.000 0.876 143 S CB 2.357 65.915 63.200 0.596 0.000 1.105 143 S HN 0.920 nan 8.310 nan 0.000 0.470 144 M N 1.081 120.794 119.600 0.188 0.000 2.591 144 M HA 0.657 5.135 4.480 -0.004 0.000 0.306 144 M C -1.859 174.658 176.300 0.362 0.000 1.190 144 M CA -0.619 54.783 55.300 0.170 0.000 0.889 144 M CB 1.127 33.667 32.600 -0.100 0.000 1.728 144 M HN 0.556 nan 8.290 nan 0.000 0.458 145 N N 2.661 121.621 118.700 0.433 0.000 2.499 145 N HA 0.562 5.300 4.740 -0.004 0.000 0.281 145 N C -1.397 174.367 175.510 0.424 0.000 1.098 145 N CA 0.053 53.377 53.050 0.458 0.000 0.979 145 N CB 0.577 39.274 38.487 0.351 0.000 1.121 145 N HN 0.725 nan 8.380 nan 0.000 0.466 146 Y N -1.479 118.997 120.300 0.294 0.000 2.545 146 Y HA 0.584 5.132 4.550 -0.004 0.000 0.348 146 Y C 0.095 176.120 175.900 0.208 0.000 1.002 146 Y CA -1.370 56.843 58.100 0.189 0.000 1.039 146 Y CB 0.972 39.473 38.460 0.069 0.000 1.271 146 Y HN 0.190 nan 8.280 nan 0.000 0.467 147 R N 1.829 122.463 120.500 0.225 0.000 2.623 147 R HA 0.458 4.795 4.340 -0.004 0.000 0.271 147 R C -0.384 176.064 176.300 0.247 0.000 1.043 147 R CA -0.081 56.092 56.100 0.123 0.000 1.083 147 R CB 0.706 31.016 30.300 0.017 0.000 0.974 147 R HN 0.724 nan 8.270 nan 0.000 0.436 148 V N -0.546 119.514 119.914 0.242 0.000 3.126 148 V HA 0.884 5.002 4.120 -0.004 0.000 0.314 148 V C 0.671 176.981 176.094 0.361 0.000 1.138 148 V CA -0.203 62.355 62.300 0.430 0.000 1.034 148 V CB 1.263 33.263 31.823 0.294 0.000 1.075 148 V HN 0.986 nan 8.190 nan 0.000 0.442 149 G N 0.771 109.837 108.800 0.443 0.000 2.575 149 G HA2 0.030 3.988 3.960 -0.004 0.000 0.267 149 G HA3 0.030 3.988 3.960 -0.004 0.000 0.267 149 G C 1.029 176.073 174.900 0.240 0.000 1.264 149 G CA 1.037 46.346 45.100 0.347 0.000 0.935 149 G HN 2.248 nan 8.290 nan 0.000 0.568 150 A N -1.028 121.668 122.820 -0.207 0.000 1.940 150 A HA 0.104 4.421 4.320 -0.004 0.000 0.219 150 A C 2.703 180.301 177.584 0.023 0.000 1.176 150 A CA 2.358 54.049 52.037 -0.577 0.000 0.631 150 A CB -0.401 18.067 19.000 -0.886 0.000 0.814 150 A HN 1.070 nan 8.150 nan 0.000 0.446 151 L N -1.118 120.144 121.223 0.064 0.000 2.191 151 L HA -0.114 4.223 4.340 -0.004 0.000 0.212 151 L C 2.501 179.386 176.870 0.024 0.000 1.103 151 L CA 0.995 55.846 54.840 0.019 0.000 0.769 151 L CB -0.343 41.661 42.059 -0.091 0.000 0.908 151 L HN 0.521 nan 8.230 nan 0.000 0.438 152 G N -2.085 106.741 108.800 0.044 0.000 2.762 152 G HA2 -0.003 3.954 3.960 -0.004 0.000 0.209 152 G HA3 -0.003 3.954 3.960 -0.004 0.000 0.209 152 G C 0.870 175.440 174.900 -0.551 0.000 1.134 152 G CA -0.003 44.972 45.100 -0.208 0.000 0.781 152 G HN 0.290 nan 8.290 nan 0.000 0.528 153 F N -0.715 119.323 119.950 0.146 0.000 2.915 153 F HA 0.424 4.948 4.527 -0.004 0.000 0.347 153 F C 0.446 176.341 175.800 0.158 0.000 1.104 153 F CA -0.966 57.116 58.000 0.136 0.000 1.126 153 F CB 0.397 39.481 39.000 0.140 0.000 1.145 153 F HN -0.097 nan 8.300 nan 0.000 0.541 154 L N 2.201 123.543 121.223 0.197 0.000 2.615 154 L HA 0.354 4.692 4.340 -0.004 0.000 0.284 154 L C 0.088 176.998 176.870 0.067 0.000 1.237 154 L CA 0.373 55.259 54.840 0.077 0.000 0.905 154 L CB 0.290 42.193 42.059 -0.259 0.000 1.149 154 L HN 0.151 nan 8.230 nan 0.000 0.499 155 A N 5.817 128.688 122.820 0.086 0.000 2.381 155 A HA 0.673 4.991 4.320 -0.004 0.000 0.299 155 A C -1.425 176.164 177.584 0.008 0.000 1.049 155 A CA -0.514 51.553 52.037 0.050 0.000 0.715 155 A CB 1.241 20.292 19.000 0.085 0.000 1.222 155 A HN 0.543 nan 8.150 nan 0.000 0.428 156 L N 4.098 125.311 121.223 -0.016 0.000 2.433 156 L HA 0.438 4.776 4.340 -0.004 0.000 0.256 156 L C -2.514 174.353 176.870 -0.004 0.000 1.063 156 L CA -1.992 52.835 54.840 -0.023 0.000 0.922 156 L CB 1.099 43.129 42.059 -0.050 0.000 1.238 156 L HN 0.367 nan 8.230 nan 0.000 0.466 157 P HA 0.268 nan 4.420 nan 0.000 0.262 157 P C 0.897 178.208 177.300 0.019 0.000 1.182 157 P CA 0.818 63.931 63.100 0.022 0.000 0.761 157 P CB 0.690 32.404 31.700 0.025 0.000 0.795 158 G N 2.008 110.823 108.800 0.025 0.000 2.195 158 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.246 158 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.246 158 G C 0.333 175.240 174.900 0.012 0.000 0.984 158 G CA -0.216 44.896 45.100 0.020 0.000 0.633 158 G HN 0.686 nan 8.290 nan 0.000 0.525 159 N N 1.305 120.009 118.700 0.007 0.000 2.439 159 N HA 0.428 5.166 4.740 -0.004 0.000 0.249 159 N C -0.795 174.715 175.510 0.001 0.000 1.003 159 N CA -1.995 51.055 53.050 0.000 0.000 0.942 159 N CB 1.886 40.368 38.487 -0.008 0.000 1.115 159 N HN 0.094 nan 8.380 nan 0.000 0.505 160 P HA -0.077 nan 4.420 nan 0.000 0.231 160 P C 0.355 177.656 177.300 0.001 0.000 1.158 160 P CA 0.891 63.986 63.100 -0.008 0.000 0.763 160 P CB 0.594 32.285 31.700 -0.016 0.000 0.805 161 E N 0.153 120.358 120.200 0.008 0.000 2.216 161 E HA 0.069 4.417 4.350 -0.004 0.000 0.192 161 E C 1.046 177.674 176.600 0.048 0.000 0.988 161 E CA 0.658 57.075 56.400 0.029 0.000 0.834 161 E CB -0.008 29.705 29.700 0.021 0.000 0.772 161 E HN 0.227 nan 8.360 nan 0.000 0.479 162 A N 1.556 124.381 122.820 0.008 0.000 3.307 162 A HA 0.285 4.603 4.320 -0.004 0.000 0.289 162 A C -2.245 175.340 177.584 0.002 0.000 1.138 162 A CA -0.829 51.202 52.037 -0.010 0.000 0.860 162 A CB 0.740 19.646 19.000 -0.156 0.000 1.318 162 A HN -0.121 nan 8.150 nan 0.000 0.551 163 P HA 0.234 nan 4.420 nan 0.000 0.245 163 P C 0.859 178.206 177.300 0.078 0.000 1.206 163 P CA 1.430 64.558 63.100 0.046 0.000 0.781 163 P CB 0.312 32.038 31.700 0.044 0.000 0.994 164 G N 1.162 110.010 108.800 0.080 0.000 2.746 164 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.685 164 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.685 164 G C -0.132 174.835 174.900 0.111 0.000 1.350 164 G CA -0.305 44.859 45.100 0.108 0.000 0.837 164 G HN 0.125 nan 8.290 nan 0.000 0.564 165 N N -1.626 117.123 118.700 0.082 0.000 2.741 165 N HA -0.226 4.512 4.740 -0.004 0.000 0.251 165 N C 1.548 176.942 175.510 -0.193 0.000 1.112 165 N CA 2.047 55.060 53.050 -0.061 0.000 0.750 165 N CB -1.148 37.286 38.487 -0.088 0.000 1.119 165 N HN 0.716 nan 8.380 nan 0.000 0.561 166 M N -0.552 118.910 119.600 -0.229 0.000 2.108 166 M HA 0.003 4.481 4.480 -0.004 0.000 0.261 166 M C 2.402 178.559 176.300 -0.239 0.000 1.066 166 M CA 2.160 57.392 55.300 -0.113 0.000 1.107 166 M CB -0.544 31.995 32.600 -0.102 0.000 1.356 166 M HN 0.323 nan 8.290 nan 0.000 0.406 167 G N -0.252 108.134 108.800 -0.691 0.000 2.432 167 G HA2 -0.133 3.825 3.960 -0.004 0.000 0.219 167 G HA3 -0.133 3.825 3.960 -0.004 0.000 0.219 167 G C 1.590 176.359 174.900 -0.218 0.000 1.135 167 G CA 0.671 45.550 45.100 -0.369 0.000 0.767 167 G HN 0.405 nan 8.290 nan 0.000 0.550 168 L N -0.961 120.024 121.223 -0.397 0.000 2.093 168 L HA 0.103 4.440 4.340 -0.004 0.000 0.208 168 L C 2.613 179.167 176.870 -0.527 0.000 1.085 168 L CA 0.613 55.071 54.840 -0.637 0.000 0.755 168 L CB -0.335 40.943 42.059 -1.302 0.000 0.904 168 L HN 0.162 nan 8.230 nan 0.000 0.435 169 F N 0.307 120.101 119.950 -0.260 0.000 2.234 169 F HA -0.209 4.316 4.527 -0.004 0.000 0.299 169 F C 2.246 178.087 175.800 0.068 0.000 1.087 169 F CA 0.861 58.853 58.000 -0.013 0.000 1.340 169 F CB -0.238 38.766 39.000 0.006 0.000 1.031 169 F HN 0.140 nan 8.300 nan 0.000 0.500 170 D N 0.206 120.735 120.400 0.215 0.000 2.092 170 D HA -0.213 4.425 4.640 -0.004 0.000 0.193 170 D C 2.142 178.597 176.300 0.258 0.000 0.994 170 D CA 1.399 55.577 54.000 0.298 0.000 0.828 170 D CB -0.701 40.274 40.800 0.292 0.000 0.963 170 D HN 0.347 nan 8.370 nan 0.000 0.450 171 Q N 0.220 120.073 119.800 0.088 0.000 2.077 171 Q HA -0.220 4.118 4.340 -0.004 0.000 0.206 171 Q C 2.263 178.271 176.000 0.013 0.000 0.989 171 Q CA 1.424 57.211 55.803 -0.026 0.000 0.853 171 Q CB -0.179 28.514 28.738 -0.074 0.000 0.907 171 Q HN 0.383 nan 8.270 nan 0.000 0.418 172 Q N 0.235 120.146 119.800 0.185 0.000 2.124 172 Q HA -0.184 4.153 4.340 -0.004 0.000 0.202 172 Q C 2.026 178.143 176.000 0.194 0.000 0.977 172 Q CA 0.891 56.840 55.803 0.245 0.000 0.850 172 Q CB 0.011 29.008 28.738 0.431 0.000 0.901 172 Q HN 0.295 nan 8.270 nan 0.000 0.429 173 L N 0.351 121.717 121.223 0.239 0.000 2.093 173 L HA -0.029 4.309 4.340 -0.004 0.000 0.208 173 L C 2.136 179.098 176.870 0.154 0.000 1.085 173 L CA 1.940 56.935 54.840 0.258 0.000 0.755 173 L CB -0.750 41.523 42.059 0.356 0.000 0.904 173 L HN 0.217 nan 8.230 nan 0.000 0.435 174 A N -0.478 122.244 122.820 -0.163 0.000 1.933 174 A HA -0.170 4.148 4.320 -0.004 0.000 0.218 174 A C 2.216 179.758 177.584 -0.070 0.000 1.175 174 A CA 1.898 53.664 52.037 -0.451 0.000 0.628 174 A CB -0.822 17.661 19.000 -0.861 0.000 0.814 174 A HN 0.493 nan 8.150 nan 0.000 0.444 175 L N -0.974 120.223 121.223 -0.043 0.000 2.046 175 L HA -0.265 4.072 4.340 -0.004 0.000 0.208 175 L C 2.866 179.794 176.870 0.097 0.000 1.077 175 L CA 1.651 56.501 54.840 0.017 0.000 0.747 175 L CB -0.853 41.184 42.059 -0.036 0.000 0.896 175 L HN 0.499 nan 8.230 nan 0.000 0.432 176 Q N -0.858 119.018 119.800 0.126 0.000 2.050 176 Q HA -0.273 4.065 4.340 -0.004 0.000 0.202 176 Q C 2.056 178.140 176.000 0.141 0.000 0.980 176 Q CA 2.170 58.053 55.803 0.134 0.000 0.840 176 Q CB -0.333 28.498 28.738 0.155 0.000 0.898 176 Q HN 0.555 nan 8.270 nan 0.000 0.424 177 W N 0.779 122.088 121.300 0.014 0.000 2.318 177 W HA -0.270 4.387 4.660 -0.004 0.000 0.313 177 W C 1.944 178.461 176.519 -0.004 0.000 1.221 177 W CA 1.625 58.979 57.345 0.014 0.000 1.266 177 W CB -0.301 29.163 29.460 0.008 0.000 1.150 177 W HN -0.139 nan 8.180 nan 0.000 0.496 178 V N 0.970 121.058 119.914 0.290 0.000 2.255 178 V HA -0.389 3.728 4.120 -0.004 0.000 0.247 178 V C 2.606 178.675 176.094 -0.043 0.000 1.051 178 V CA 2.262 64.633 62.300 0.118 0.000 1.018 178 V CB -1.186 30.741 31.823 0.174 0.000 0.641 178 V HN 0.234 nan 8.190 nan 0.000 0.445 179 Q N 0.125 119.926 119.800 0.000 0.000 2.077 179 Q HA -0.244 4.093 4.340 -0.004 0.000 0.206 179 Q C 2.268 178.218 176.000 -0.083 0.000 0.989 179 Q CA 1.821 57.613 55.803 -0.018 0.000 0.853 179 Q CB -0.391 28.358 28.738 0.019 0.000 0.907 179 Q HN 0.636 nan 8.270 nan 0.000 0.418 180 K N -0.250 120.065 120.400 -0.142 0.000 2.228 180 K HA 0.023 4.340 4.320 -0.004 0.000 0.202 180 K C 1.409 177.830 176.600 -0.299 0.000 1.051 180 K CA 0.676 56.847 56.287 -0.192 0.000 0.960 180 K CB 0.241 32.630 32.500 -0.184 0.000 0.743 180 K HN 0.186 nan 8.250 nan 0.000 0.458 181 N N 0.054 118.464 118.700 -0.483 0.000 2.257 181 N HA 0.026 4.763 4.740 -0.004 0.000 0.200 181 N C 1.432 176.784 175.510 -0.264 0.000 1.163 181 N CA 0.168 52.874 53.050 -0.574 0.000 0.891 181 N CB 0.458 38.135 38.487 -1.350 0.000 1.067 181 N HN -0.013 nan 8.380 nan 0.000 0.497 182 I N 2.253 122.702 120.570 -0.202 0.000 2.493 182 I HA -0.078 4.090 4.170 -0.004 0.000 0.254 182 I C 2.173 178.356 176.117 0.109 0.000 1.160 182 I CA 0.534 61.842 61.300 0.013 0.000 1.445 182 I CB -0.111 37.892 38.000 0.005 0.000 1.086 182 I HN 0.037 nan 8.210 nan 0.000 0.433 183 A N 0.317 123.150 122.820 0.020 0.000 1.933 183 A HA -0.162 4.156 4.320 -0.004 0.000 0.218 183 A C 2.501 180.090 177.584 0.008 0.000 1.175 183 A CA 1.652 53.698 52.037 0.014 0.000 0.628 183 A CB -1.131 17.855 19.000 -0.022 0.000 0.814 183 A HN 0.460 nan 8.150 nan 0.000 0.444 184 A N -1.553 121.247 122.820 -0.033 0.000 2.024 184 A HA -0.010 4.308 4.320 -0.004 0.000 0.220 184 A C 1.605 179.043 177.584 -0.244 0.000 1.164 184 A CA 1.407 53.344 52.037 -0.167 0.000 0.643 184 A CB -0.645 18.182 19.000 -0.289 0.000 0.806 184 A HN 0.505 nan 8.150 nan 0.000 0.451 185 F N -1.359 118.543 119.950 -0.078 0.000 2.727 185 F HA 0.385 4.910 4.527 -0.004 0.000 0.302 185 F C 1.720 177.533 175.800 0.022 0.000 1.097 185 F CA 0.549 58.525 58.000 -0.039 0.000 1.330 185 F CB 0.367 39.337 39.000 -0.049 0.000 1.084 185 F HN 0.333 nan 8.300 nan 0.000 0.578 186 G N 0.292 109.183 108.800 0.152 0.000 2.141 186 G HA2 -0.138 3.819 3.960 -0.004 0.000 0.231 186 G HA3 -0.138 3.819 3.960 -0.004 0.000 0.231 186 G C 0.498 175.464 174.900 0.109 0.000 0.984 186 G CA -0.295 44.871 45.100 0.111 0.000 0.660 186 G HN 0.707 nan 8.290 nan 0.000 0.525 187 G N -0.568 108.304 108.800 0.120 0.000 2.437 187 G HA2 0.501 4.459 3.960 -0.004 0.000 0.319 187 G HA3 0.501 4.459 3.960 -0.004 0.000 0.319 187 G C -0.343 174.589 174.900 0.054 0.000 1.158 187 G CA -0.319 44.836 45.100 0.091 0.000 0.899 187 G HN 0.378 nan 8.290 nan 0.000 0.502 188 N N 1.485 120.209 118.700 0.039 0.000 2.500 188 N HA 0.301 5.038 4.740 -0.004 0.000 0.236 188 N C -1.243 174.279 175.510 0.019 0.000 1.022 188 N CA -2.490 50.574 53.050 0.022 0.000 0.935 188 N CB 2.024 40.519 38.487 0.014 0.000 1.147 188 N HN 0.087 nan 8.380 nan 0.000 0.512 189 P HA -0.105 nan 4.420 nan 0.000 0.225 189 P C 0.239 177.547 177.300 0.014 0.000 1.148 189 P CA 1.118 64.227 63.100 0.014 0.000 0.779 189 P CB 0.390 32.090 31.700 -0.000 0.000 0.780 190 K N -0.620 119.783 120.400 0.005 0.000 2.487 190 K HA 0.116 4.433 4.320 -0.004 0.000 0.192 190 K C 0.804 177.397 176.600 -0.012 0.000 1.027 190 K CA 0.266 56.550 56.287 -0.004 0.000 1.054 190 K CB 0.108 32.605 32.500 -0.005 0.000 0.824 190 K HN -0.056 nan 8.250 nan 0.000 0.510 191 S N 1.299 116.994 115.700 -0.008 0.000 2.158 191 S HA 0.264 4.732 4.470 -0.004 0.000 0.160 191 S C -1.145 173.449 174.600 -0.010 0.000 1.693 191 S CA -0.595 57.589 58.200 -0.027 0.000 1.251 191 S CB 0.403 63.576 63.200 -0.045 0.000 1.153 191 S HN -0.120 nan 8.310 nan 0.000 0.439 192 V N 3.509 123.436 119.914 0.021 0.000 2.444 192 V HA 0.541 4.659 4.120 -0.004 0.000 0.294 192 V C -0.042 176.115 176.094 0.105 0.000 1.022 192 V CA -0.489 61.853 62.300 0.069 0.000 0.850 192 V CB 2.016 33.905 31.823 0.111 0.000 0.992 192 V HN 0.646 nan 8.190 nan 0.000 0.426 193 T N 6.464 121.064 114.554 0.077 0.000 2.779 193 T HA 0.591 4.938 4.350 -0.004 0.000 0.280 193 T C -0.229 174.555 174.700 0.140 0.000 0.987 193 T CA -0.333 61.830 62.100 0.105 0.000 0.966 193 T CB 0.854 69.729 68.868 0.011 0.000 0.933 193 T HN 0.355 nan 8.240 nan 0.000 0.442 194 L N 4.945 126.237 121.223 0.116 0.000 2.349 194 L HA 0.645 4.983 4.340 -0.004 0.000 0.275 194 L C -0.372 176.644 176.870 0.244 0.000 1.115 194 L CA -0.740 54.134 54.840 0.057 0.000 0.820 194 L CB 0.210 42.092 42.059 -0.296 0.000 1.135 194 L HN 0.604 nan 8.230 nan 0.000 0.445 195 F N 0.378 120.325 119.950 -0.005 0.000 2.601 195 F HA 0.963 5.487 4.527 -0.004 0.000 0.309 195 F C -0.294 175.376 175.800 -0.215 0.000 1.089 195 F CA -1.654 56.370 58.000 0.040 0.000 0.940 195 F CB 1.522 40.684 39.000 0.269 0.000 1.273 195 F HN 0.486 nan 8.300 nan 0.000 0.450 196 G N 1.063 109.611 108.800 -0.420 0.000 2.601 196 G HA2 0.497 4.455 3.960 -0.004 0.000 0.291 196 G HA3 0.497 4.455 3.960 -0.004 0.000 0.291 196 G C -2.548 172.022 174.900 -0.550 0.000 1.456 196 G CA -0.789 43.665 45.100 -1.076 0.000 0.804 196 G HN 0.882 nan 8.290 nan 0.000 0.499 197 E N 0.285 120.162 120.200 -0.538 0.000 2.266 197 E HA 0.633 4.981 4.350 -0.004 0.000 0.268 197 E C 0.624 177.154 176.600 -0.117 0.000 0.879 197 E CA 0.270 56.600 56.400 -0.116 0.000 0.762 197 E CB 2.193 31.983 29.700 0.150 0.000 1.199 197 E HN 0.912 nan 8.360 nan 0.000 0.422 198 S N 2.810 118.517 115.700 0.011 0.000 4.139 198 S HA -0.398 4.070 4.470 -0.004 0.000 0.603 198 S C 1.483 176.145 174.600 0.103 0.000 1.897 198 S CA 2.320 60.602 58.200 0.138 0.000 4.241 198 S CB -1.625 61.602 63.200 0.046 0.000 0.221 198 S HN 0.998 nan 8.310 nan 0.000 0.488 199 A N 1.122 123.834 122.820 -0.180 0.000 2.019 199 A HA 0.165 4.483 4.320 -0.004 0.000 0.219 199 A C 2.486 179.803 177.584 -0.444 0.000 1.164 199 A CA 2.410 54.157 52.037 -0.484 0.000 0.644 199 A CB -1.554 16.777 19.000 -1.115 0.000 0.805 199 A HN 1.573 nan 8.150 nan 0.000 0.449 200 G N -0.531 108.067 108.800 -0.337 0.000 2.418 200 G HA2 0.014 3.972 3.960 -0.004 0.000 0.217 200 G HA3 0.014 3.972 3.960 -0.004 0.000 0.217 200 G C 1.705 176.414 174.900 -0.319 0.000 1.158 200 G CA 1.313 46.166 45.100 -0.411 0.000 0.771 200 G HN 0.765 nan 8.290 nan 0.000 0.545 201 A N 1.101 123.790 122.820 -0.217 0.000 1.897 201 A HA 0.370 4.687 4.320 -0.004 0.000 0.215 201 A C 2.809 180.316 177.584 -0.128 0.000 1.181 201 A CA 1.993 53.937 52.037 -0.155 0.000 0.620 201 A CB -0.741 18.212 19.000 -0.080 0.000 0.821 201 A HN 0.730 nan 8.150 nan 0.000 0.443 202 A N -0.312 122.494 122.820 -0.024 0.000 1.908 202 A HA -0.109 4.209 4.320 -0.004 0.000 0.218 202 A C 2.450 180.080 177.584 0.077 0.000 1.181 202 A CA 2.186 54.237 52.037 0.023 0.000 0.627 202 A CB -0.928 18.193 19.000 0.201 0.000 0.818 202 A HN 0.448 nan 8.150 nan 0.000 0.445 203 S N -0.475 115.263 115.700 0.064 0.000 2.359 203 S HA -0.148 4.320 4.470 -0.004 0.000 0.224 203 S C 1.920 176.535 174.600 0.026 0.000 1.035 203 S CA 1.448 59.661 58.200 0.023 0.000 1.018 203 S CB -0.593 62.549 63.200 -0.097 0.000 0.876 203 S HN 0.350 nan 8.310 nan 0.000 0.448 204 V N 2.546 122.443 119.914 -0.028 0.000 2.282 204 V HA -0.223 3.895 4.120 -0.004 0.000 0.249 204 V C 2.743 178.844 176.094 0.013 0.000 1.057 204 V CA 2.101 64.378 62.300 -0.037 0.000 1.032 204 V CB -1.183 30.560 31.823 -0.134 0.000 0.645 204 V HN 0.731 nan 8.190 nan 0.000 0.447 205 S N -0.166 115.510 115.700 -0.040 0.000 2.399 205 S HA -0.146 4.321 4.470 -0.004 0.000 0.231 205 S C 1.906 176.680 174.600 0.289 0.000 1.022 205 S CA 1.629 59.854 58.200 0.041 0.000 0.983 205 S CB -0.599 62.409 63.200 -0.319 0.000 0.803 205 S HN 0.541 nan 8.310 nan 0.000 0.480 206 L N 0.442 121.771 121.223 0.176 0.000 2.179 206 L HA 0.020 4.357 4.340 -0.004 0.000 0.208 206 L C 2.880 179.780 176.870 0.050 0.000 1.096 206 L CA 1.064 55.960 54.840 0.094 0.000 0.779 206 L CB -0.665 41.454 42.059 0.100 0.000 0.922 206 L HN 0.379 nan 8.230 nan 0.000 0.443 207 H N 0.101 119.270 119.070 0.165 0.000 2.421 207 H HA -0.096 4.457 4.556 -0.004 0.000 0.298 207 H C 2.371 177.863 175.328 0.273 0.000 1.087 207 H CA 1.248 57.362 56.048 0.111 0.000 1.330 207 H CB -0.006 29.684 29.762 -0.120 0.000 1.388 207 H HN 0.327 nan 8.280 nan 0.000 0.526 208 L N -0.010 121.485 121.223 0.453 0.000 2.083 208 L HA -0.192 4.145 4.340 -0.004 0.000 0.209 208 L C 2.010 179.118 176.870 0.398 0.000 1.083 208 L CA 0.630 55.799 54.840 0.549 0.000 0.752 208 L CB -0.173 42.223 42.059 0.562 0.000 0.899 208 L HN 0.150 nan 8.230 nan 0.000 0.433 209 L N -1.334 120.030 121.223 0.235 0.000 2.446 209 L HA 0.068 4.406 4.340 -0.004 0.000 0.219 209 L C 1.285 178.116 176.870 -0.066 0.000 1.116 209 L CA 0.799 55.692 54.840 0.088 0.000 0.844 209 L CB -0.267 41.744 42.059 -0.080 0.000 0.970 209 L HN -0.014 nan 8.230 nan 0.000 0.457 210 S N -0.236 115.357 115.700 -0.178 0.000 2.465 210 S HA 0.236 4.703 4.470 -0.004 0.000 0.279 210 S C -1.519 172.985 174.600 -0.160 0.000 1.201 210 S CA -1.250 56.696 58.200 -0.423 0.000 1.053 210 S CB 0.941 63.432 63.200 -1.181 0.000 0.953 210 S HN -0.041 nan 8.310 nan 0.000 0.488 211 P HA 0.009 nan 4.420 nan 0.000 0.218 211 P C 1.508 178.817 177.300 0.015 0.000 1.149 211 P CA 0.838 63.920 63.100 -0.031 0.000 0.817 211 P CB -0.060 31.603 31.700 -0.062 0.000 0.785 212 G N -0.815 107.973 108.800 -0.019 0.000 2.448 212 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.219 212 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.219 212 G C 1.461 176.442 174.900 0.135 0.000 1.127 212 G CA 0.680 45.823 45.100 0.072 0.000 0.766 212 G HN 0.231 nan 8.290 nan 0.000 0.552 213 S N -0.787 114.996 115.700 0.137 0.000 2.528 213 S HA 0.076 4.544 4.470 -0.004 0.000 0.219 213 S C 1.672 176.476 174.600 0.340 0.000 0.985 213 S CA 0.218 58.599 58.200 0.302 0.000 0.914 213 S CB -0.119 63.355 63.200 0.457 0.000 0.776 213 S HN 0.678 nan 8.310 nan 0.000 0.526 214 H N 2.646 121.782 119.070 0.111 0.000 2.319 214 H HA -0.121 4.433 4.556 -0.004 0.000 0.297 214 H C 2.020 177.289 175.328 -0.098 0.000 1.097 214 H CA 2.056 58.092 56.048 -0.020 0.000 1.285 214 H CB -0.013 29.729 29.762 -0.034 0.000 1.368 214 H HN 0.442 nan 8.280 nan 0.000 0.495 215 S N -0.475 115.318 115.700 0.155 0.000 2.605 215 S HA 0.091 4.559 4.470 -0.004 0.000 0.217 215 S C 1.376 176.013 174.600 0.061 0.000 0.958 215 S CA -0.100 58.151 58.200 0.085 0.000 0.919 215 S CB -0.035 63.229 63.200 0.107 0.000 0.780 215 S HN 0.439 nan 8.310 nan 0.000 0.507 216 L N 0.793 122.094 121.223 0.129 0.000 2.607 216 L HA 0.461 4.799 4.340 -0.004 0.000 0.228 216 L C 0.062 177.104 176.870 0.287 0.000 1.123 216 L CA -0.243 54.713 54.840 0.192 0.000 0.890 216 L CB -0.251 41.938 42.059 0.216 0.000 1.103 216 L HN 0.555 nan 8.230 nan 0.000 0.468 217 F N -4.659 115.280 119.950 -0.019 0.000 2.741 217 F HA 0.473 4.998 4.527 -0.004 0.000 0.313 217 F C 0.335 176.112 175.800 -0.039 0.000 1.153 217 F CA -0.928 57.056 58.000 -0.026 0.000 0.931 217 F CB 0.693 39.677 39.000 -0.027 0.000 1.335 217 F HN -0.336 nan 8.300 nan 0.000 0.460 218 T N -0.610 113.954 114.554 0.017 0.000 3.044 218 T HA 0.390 4.738 4.350 -0.004 0.000 0.237 218 T C 0.498 175.153 174.700 -0.076 0.000 1.001 218 T CA 0.413 62.443 62.100 -0.117 0.000 1.160 218 T CB 0.100 68.931 68.868 -0.061 0.000 0.889 218 T HN 0.514 nan 8.240 nan 0.000 0.442 219 R N -0.291 120.292 120.500 0.139 0.000 2.869 219 R HA 0.785 5.123 4.340 -0.004 0.000 0.263 219 R C -1.837 174.696 176.300 0.387 0.000 1.066 219 R CA -0.758 55.448 56.100 0.176 0.000 0.960 219 R CB 2.097 32.316 30.300 -0.135 0.000 1.221 219 R HN 0.314 nan 8.270 nan 0.000 0.474 220 A N 1.454 124.514 122.820 0.399 0.000 2.486 220 A HA 0.666 4.984 4.320 -0.004 0.000 0.300 220 A C -1.226 176.465 177.584 0.178 0.000 1.048 220 A CA -0.586 51.614 52.037 0.273 0.000 0.696 220 A CB 1.182 20.316 19.000 0.224 0.000 1.278 220 A HN 0.547 nan 8.150 nan 0.000 0.405 221 I N 2.068 122.680 120.570 0.071 0.000 2.466 221 I HA 0.366 4.534 4.170 -0.004 0.000 0.289 221 I C -1.435 174.666 176.117 -0.027 0.000 1.026 221 I CA -0.647 60.605 61.300 -0.081 0.000 1.078 221 I CB 1.940 39.901 38.000 -0.065 0.000 1.249 221 I HN 0.426 nan 8.210 nan 0.000 0.429 222 L N 6.695 127.857 121.223 -0.101 0.000 2.324 222 L HA 0.389 4.727 4.340 -0.004 0.000 0.274 222 L C -0.378 176.475 176.870 -0.030 0.000 1.012 222 L CA -0.167 54.605 54.840 -0.113 0.000 0.859 222 L CB 1.287 43.189 42.059 -0.263 0.000 1.224 222 L HN 0.498 nan 8.230 nan 0.000 0.429 223 Q N 1.746 121.601 119.800 0.092 0.000 2.331 223 Q HA 0.451 4.789 4.340 -0.004 0.000 0.257 223 Q C 0.222 176.281 176.000 0.099 0.000 0.957 223 Q CA -0.476 55.448 55.803 0.202 0.000 0.923 223 Q CB 1.194 30.155 28.738 0.370 0.000 1.212 223 Q HN 0.600 nan 8.270 nan 0.000 0.443 224 S N 1.242 116.987 115.700 0.074 0.000 3.631 224 S HA -0.150 4.317 4.470 -0.004 0.000 0.366 224 S C 0.016 174.825 174.600 0.348 0.000 0.993 224 S CA 0.500 58.794 58.200 0.156 0.000 1.167 224 S CB -1.252 61.969 63.200 0.035 0.000 0.909 224 S HN 1.024 nan 8.310 nan 0.000 0.478 225 G N -0.563 108.372 108.800 0.226 0.000 2.404 225 G HA2 0.621 4.578 3.960 -0.004 0.000 0.298 225 G HA3 0.621 4.578 3.960 -0.004 0.000 0.298 225 G C -1.018 173.817 174.900 -0.108 0.000 1.577 225 G CA 0.174 45.427 45.100 0.254 0.000 0.847 225 G HN 1.405 nan 8.290 nan 0.000 0.598 226 S N -0.777 114.756 115.700 -0.279 0.000 2.597 226 S HA 0.511 4.978 4.470 -0.004 0.000 0.274 226 S C 0.536 174.791 174.600 -0.574 0.000 1.132 226 S CA -0.132 57.717 58.200 -0.584 0.000 0.835 226 S CB 0.777 63.481 63.200 -0.826 0.000 1.092 226 S HN 1.932 nan 8.310 nan 0.000 0.457 227 F N 1.753 121.485 119.950 -0.362 0.000 2.269 227 F HA 0.012 4.537 4.527 -0.004 0.000 0.301 227 F C 1.657 177.266 175.800 -0.319 0.000 1.082 227 F CA 1.379 59.207 58.000 -0.287 0.000 1.360 227 F CB -0.920 37.995 39.000 -0.142 0.000 1.041 227 F HN 0.677 nan 8.300 nan 0.000 0.512 228 N N 1.499 119.879 118.700 -0.533 0.000 2.461 228 N HA 0.090 4.828 4.740 -0.004 0.000 0.188 228 N C 0.551 175.815 175.510 -0.411 0.000 1.134 228 N CA 0.580 53.455 53.050 -0.292 0.000 0.878 228 N CB -0.676 37.649 38.487 -0.269 0.000 0.972 228 N HN 0.407 nan 8.380 nan 0.000 0.456 229 A N 2.254 124.675 122.820 -0.665 0.000 2.498 229 A HA 0.214 4.532 4.320 -0.004 0.000 0.239 229 A C -0.920 176.104 177.584 -0.934 0.000 1.068 229 A CA -0.947 50.517 52.037 -0.956 0.000 0.766 229 A CB 0.291 18.346 19.000 -1.576 0.000 1.003 229 A HN 0.131 nan 8.150 nan 0.000 0.497 230 P HA -0.120 nan 4.420 nan 0.000 0.222 230 P C 1.065 178.145 177.300 -0.367 0.000 1.147 230 P CA 1.311 64.106 63.100 -0.508 0.000 0.790 230 P CB -0.093 31.252 31.700 -0.591 0.000 0.780 231 W N -1.169 119.940 121.300 -0.319 0.000 3.139 231 W HA 0.520 5.178 4.660 -0.003 0.000 0.260 231 W C 1.163 177.611 176.519 -0.117 0.000 1.312 231 W CA 0.345 57.555 57.345 -0.225 0.000 1.606 231 W CB -1.155 28.124 29.460 -0.300 0.000 1.118 231 W HN -0.106 nan 8.180 nan 0.000 0.675 232 A N 1.253 123.793 122.820 -0.465 0.000 2.081 232 A HA 0.297 4.615 4.320 -0.004 0.000 0.214 232 A C 0.682 178.163 177.584 -0.171 0.000 1.158 232 A CA 0.800 52.667 52.037 -0.283 0.000 0.724 232 A CB -0.318 18.263 19.000 -0.697 0.000 0.826 232 A HN 0.001 nan 8.150 nan 0.000 0.463 233 V N 0.702 120.513 119.914 -0.173 0.000 2.577 233 V HA 0.327 4.444 4.120 -0.004 0.000 0.303 233 V C -0.520 175.506 176.094 -0.112 0.000 1.042 233 V CA -0.679 61.527 62.300 -0.157 0.000 0.872 233 V CB 1.611 33.369 31.823 -0.108 0.000 0.998 233 V HN 0.202 nan 8.190 nan 0.000 0.423 234 T N 3.355 117.838 114.554 -0.118 0.000 2.832 234 T HA 0.330 4.678 4.350 -0.004 0.000 0.296 234 T C 0.560 175.236 174.700 -0.039 0.000 0.968 234 T CA -0.181 61.874 62.100 -0.075 0.000 1.107 234 T CB 1.032 69.847 68.868 -0.087 0.000 0.916 234 T HN 0.940 nan 8.240 nan 0.000 0.517 235 S N 3.185 118.880 115.700 -0.008 0.000 2.593 235 S HA 0.157 4.625 4.470 -0.004 0.000 0.269 235 S C 1.349 175.970 174.600 0.035 0.000 1.334 235 S CA -0.800 57.415 58.200 0.024 0.000 1.015 235 S CB 0.332 63.569 63.200 0.061 0.000 0.912 235 S HN 0.371 nan 8.310 nan 0.000 0.541 236 L N 1.159 122.412 121.223 0.049 0.000 2.079 236 L HA -0.013 4.325 4.340 -0.004 0.000 0.210 236 L C 2.173 179.081 176.870 0.065 0.000 1.081 236 L CA 1.734 56.603 54.840 0.050 0.000 0.752 236 L CB -1.840 40.250 42.059 0.052 0.000 0.896 236 L HN 0.919 nan 8.230 nan 0.000 0.433 237 Y N 0.726 121.017 120.300 -0.014 0.000 2.114 237 Y HA -0.275 4.273 4.550 -0.004 0.000 0.284 237 Y C 2.555 178.440 175.900 -0.025 0.000 1.143 237 Y CA 2.052 60.143 58.100 -0.015 0.000 1.135 237 Y CB -0.075 38.377 38.460 -0.013 0.000 0.980 237 Y HN 0.296 nan 8.280 nan 0.000 0.499 238 E N -0.244 119.988 120.200 0.053 0.000 2.058 238 E HA -0.244 4.103 4.350 -0.004 0.000 0.194 238 E C 2.359 178.886 176.600 -0.122 0.000 0.997 238 E CA 1.097 57.467 56.400 -0.051 0.000 0.801 238 E CB -0.385 29.306 29.700 -0.015 0.000 0.746 238 E HN 0.569 nan 8.360 nan 0.000 0.450 239 A N 1.616 124.391 122.820 -0.075 0.000 1.865 239 A HA -0.213 4.105 4.320 -0.004 0.000 0.217 239 A C 2.079 179.630 177.584 -0.055 0.000 1.191 239 A CA 1.299 53.306 52.037 -0.049 0.000 0.623 239 A CB -0.413 18.589 19.000 0.003 0.000 0.826 239 A HN 0.054 nan 8.150 nan 0.000 0.444 240 R N -0.546 119.902 120.500 -0.087 0.000 2.094 240 R HA -0.195 4.143 4.340 -0.004 0.000 0.239 240 R C 2.074 178.285 176.300 -0.148 0.000 1.137 240 R CA 1.849 57.883 56.100 -0.109 0.000 0.943 240 R CB -0.966 29.254 30.300 -0.133 0.000 0.850 240 R HN 0.644 nan 8.270 nan 0.000 0.433 241 N N 0.619 119.169 118.700 -0.249 0.000 2.104 241 N HA -0.141 4.597 4.740 -0.004 0.000 0.190 241 N C 1.786 177.219 175.510 -0.128 0.000 1.024 241 N CA 1.415 54.324 53.050 -0.235 0.000 0.853 241 N CB 0.007 38.298 38.487 -0.327 0.000 1.008 241 N HN 0.159 nan 8.380 nan 0.000 0.424 242 R N -1.090 119.340 120.500 -0.117 0.000 2.090 242 R HA 0.050 4.388 4.340 -0.004 0.000 0.228 242 R C 1.983 178.339 176.300 0.094 0.000 1.110 242 R CA 1.481 57.533 56.100 -0.079 0.000 0.973 242 R CB -0.412 29.723 30.300 -0.276 0.000 0.869 242 R HN 0.205 nan 8.270 nan 0.000 0.440 243 T N 1.760 116.376 114.554 0.102 0.000 2.684 243 T HA -0.104 4.244 4.350 -0.004 0.000 0.267 243 T C 1.841 176.557 174.700 0.026 0.000 1.036 243 T CA 1.134 63.289 62.100 0.092 0.000 1.148 243 T CB -0.159 68.720 68.868 0.018 0.000 0.863 243 T HN 0.120 nan 8.240 nan 0.000 0.436 244 L N 1.040 122.256 121.223 -0.011 0.000 2.083 244 L HA -0.115 4.222 4.340 -0.004 0.000 0.209 244 L C 2.565 179.434 176.870 -0.001 0.000 1.083 244 L CA 0.990 55.817 54.840 -0.021 0.000 0.752 244 L CB -0.693 41.339 42.059 -0.046 0.000 0.899 244 L HN 0.224 nan 8.230 nan 0.000 0.433 245 N N 0.296 119.001 118.700 0.008 0.000 2.120 245 N HA -0.182 4.556 4.740 -0.004 0.000 0.188 245 N C 1.790 177.343 175.510 0.071 0.000 1.024 245 N CA 1.068 54.136 53.050 0.030 0.000 0.852 245 N CB -0.396 38.105 38.487 0.023 0.000 1.003 245 N HN 0.140 nan 8.380 nan 0.000 0.424 246 L N 1.143 122.433 121.223 0.112 0.000 2.042 246 L HA -0.080 4.258 4.340 -0.004 0.000 0.210 246 L C 2.090 178.998 176.870 0.064 0.000 1.076 246 L CA 1.552 56.468 54.840 0.126 0.000 0.749 246 L CB -0.925 41.228 42.059 0.157 0.000 0.893 246 L HN 0.143 nan 8.230 nan 0.000 0.432 247 A N -0.493 122.345 122.820 0.031 0.000 1.865 247 A HA -0.323 3.995 4.320 -0.004 0.000 0.217 247 A C 2.443 180.037 177.584 0.017 0.000 1.191 247 A CA 2.239 54.282 52.037 0.010 0.000 0.623 247 A CB -0.734 18.260 19.000 -0.009 0.000 0.826 247 A HN 0.491 nan 8.150 nan 0.000 0.444 248 K N -0.436 119.973 120.400 0.016 0.000 2.044 248 K HA -0.105 4.213 4.320 -0.004 0.000 0.210 248 K C 1.820 178.430 176.600 0.017 0.000 1.049 248 K CA 1.703 57.998 56.287 0.012 0.000 0.927 248 K CB -0.377 32.127 32.500 0.008 0.000 0.713 248 K HN 0.444 nan 8.250 nan 0.000 0.443 249 L N 0.399 121.642 121.223 0.033 0.000 2.275 249 L HA -0.103 4.235 4.340 -0.004 0.000 0.215 249 L C 1.909 178.799 176.870 0.033 0.000 1.119 249 L CA 1.519 56.380 54.840 0.035 0.000 0.790 249 L CB -0.292 41.813 42.059 0.076 0.000 0.919 249 L HN 0.457 nan 8.230 nan 0.000 0.443 250 T N -4.754 109.823 114.554 0.038 0.000 3.092 250 T HA 0.326 4.674 4.350 -0.004 0.000 0.258 250 T C 1.247 175.962 174.700 0.025 0.000 1.031 250 T CA 0.263 62.385 62.100 0.037 0.000 0.925 250 T CB 0.748 69.646 68.868 0.050 0.000 1.036 250 T HN 0.345 nan 8.240 nan 0.000 0.544 251 G N 0.227 109.038 108.800 0.017 0.000 2.147 251 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.244 251 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.244 251 G C 0.620 175.527 174.900 0.012 0.000 1.005 251 G CA -0.015 45.092 45.100 0.012 0.000 0.713 251 G HN 0.606 nan 8.290 nan 0.000 0.515 252 c N 1.116 119.724 118.600 0.013 0.000 2.974 252 c HA 0.497 5.065 4.570 -0.004 0.000 0.282 252 c C 1.696 175.787 174.090 0.001 0.000 1.292 252 c CA 0.250 56.585 56.329 0.010 0.000 1.710 252 c CB -0.824 41.694 42.510 0.013 0.000 2.036 252 c HN 0.619 nan 8.230 nan 0.000 0.629 253 S N 1.860 117.561 115.700 0.001 0.000 2.546 253 S HA 0.316 4.783 4.470 -0.004 0.000 0.290 253 S C 0.117 174.715 174.600 -0.004 0.000 1.290 253 S CA 0.676 58.873 58.200 -0.004 0.000 1.069 253 S CB 0.324 63.522 63.200 -0.003 0.000 0.846 253 S HN 0.480 nan 8.310 nan 0.000 0.495 254 R N 1.194 121.690 120.500 -0.007 0.000 2.799 254 R HA 0.307 4.644 4.340 -0.004 0.000 0.270 254 R C 0.885 177.181 176.300 -0.007 0.000 1.010 254 R CA -0.899 55.197 56.100 -0.006 0.000 0.916 254 R CB 0.597 30.894 30.300 -0.006 0.000 1.228 254 R HN 0.593 nan 8.270 nan 0.000 0.469 255 E N 0.209 120.406 120.200 -0.005 0.000 2.072 255 E HA -0.073 4.275 4.350 -0.004 0.000 0.190 255 E C -0.157 176.439 176.600 -0.006 0.000 0.982 255 E CA 0.942 57.339 56.400 -0.005 0.000 0.803 255 E CB -0.235 29.463 29.700 -0.003 0.000 0.755 255 E HN 0.346 nan 8.360 nan 0.000 0.453 256 N N 1.539 120.235 118.700 -0.006 0.000 2.422 256 N HA -0.001 4.737 4.740 -0.004 0.000 0.264 256 N C 0.440 175.944 175.510 -0.011 0.000 1.063 256 N CA 0.030 53.076 53.050 -0.007 0.000 0.959 256 N CB 1.189 39.674 38.487 -0.004 0.000 1.087 256 N HN 0.123 nan 8.380 nan 0.000 0.483 257 E N 1.612 121.803 120.200 -0.014 0.000 2.106 257 E HA -0.111 4.236 4.350 -0.004 0.000 0.192 257 E C 0.959 177.544 176.600 -0.024 0.000 0.984 257 E CA 1.273 57.659 56.400 -0.022 0.000 0.806 257 E CB 0.129 29.815 29.700 -0.023 0.000 0.750 257 E HN 0.624 nan 8.360 nan 0.000 0.458 258 T N 1.414 115.959 114.554 -0.015 0.000 2.881 258 T HA -0.109 4.238 4.350 -0.004 0.000 0.270 258 T C 1.543 176.240 174.700 -0.005 0.000 1.068 258 T CA 0.873 62.967 62.100 -0.009 0.000 1.131 258 T CB -0.033 68.833 68.868 -0.003 0.000 0.871 258 T HN 0.095 nan 8.240 nan 0.000 0.479 259 E N 0.865 121.062 120.200 -0.005 0.000 2.107 259 E HA 0.034 4.382 4.350 -0.004 0.000 0.191 259 E C 2.230 178.829 176.600 -0.003 0.000 0.982 259 E CA 0.524 56.923 56.400 -0.000 0.000 0.809 259 E CB -0.306 29.394 29.700 -0.000 0.000 0.756 259 E HN 0.528 nan 8.360 nan 0.000 0.459 260 I N 1.160 121.722 120.570 -0.015 0.000 2.151 260 I HA -0.288 3.880 4.170 -0.004 0.000 0.243 260 I C 2.205 178.304 176.117 -0.030 0.000 1.080 260 I CA 0.908 62.193 61.300 -0.025 0.000 1.339 260 I CB -0.284 37.691 38.000 -0.042 0.000 1.039 260 I HN 0.079 nan 8.210 nan 0.000 0.409 261 I N 0.462 121.008 120.570 -0.041 0.000 2.315 261 I HA -0.235 3.933 4.170 -0.004 0.000 0.248 261 I C 2.492 178.641 176.117 0.053 0.000 1.117 261 I CA 1.378 62.653 61.300 -0.041 0.000 1.404 261 I CB -1.353 36.616 38.000 -0.052 0.000 1.071 261 I HN 0.286 nan 8.210 nan 0.000 0.419 262 K N 0.798 121.222 120.400 0.040 0.000 2.032 262 K HA -0.242 4.076 4.320 -0.004 0.000 0.209 262 K C 2.433 179.066 176.600 0.055 0.000 1.048 262 K CA 1.774 58.091 56.287 0.050 0.000 0.927 262 K CB -0.675 31.842 32.500 0.028 0.000 0.712 262 K HN 0.389 nan 8.250 nan 0.000 0.441 263 c N 1.146 119.770 118.600 0.040 0.000 2.413 263 c HA -0.091 4.477 4.570 -0.004 0.000 0.276 263 c C 2.816 176.947 174.090 0.067 0.000 1.236 263 c CA 0.761 57.114 56.329 0.040 0.000 1.735 263 c CB -1.065 41.459 42.510 0.024 0.000 2.031 263 c HN 0.493 nan 8.230 nan 0.000 0.474 264 L N 0.144 121.422 121.223 0.091 0.000 2.131 264 L HA -0.090 4.248 4.340 -0.004 0.000 0.210 264 L C 2.922 179.947 176.870 0.258 0.000 1.092 264 L CA 1.371 56.314 54.840 0.172 0.000 0.759 264 L CB -0.645 41.496 42.059 0.137 0.000 0.903 264 L HN 0.350 nan 8.230 nan 0.000 0.435 265 R N -0.130 120.510 120.500 0.233 0.000 2.285 265 R HA -0.061 4.276 4.340 -0.004 0.000 0.213 265 R C 1.397 177.725 176.300 0.047 0.000 1.068 265 R CA 0.594 56.768 56.100 0.124 0.000 1.004 265 R CB -0.194 30.168 30.300 0.105 0.000 0.873 265 R HN 0.456 nan 8.270 nan 0.000 0.467 266 N N 0.371 119.104 118.700 0.055 0.000 2.392 266 N HA -0.019 4.718 4.740 -0.004 0.000 0.177 266 N C -0.085 175.441 175.510 0.027 0.000 1.066 266 N CA 0.564 53.632 53.050 0.030 0.000 0.895 266 N CB 0.307 38.811 38.487 0.029 0.000 0.988 266 N HN -0.046 nan 8.380 nan 0.000 0.457 267 K N 2.017 122.442 120.400 0.043 0.000 2.326 267 K HA 0.084 4.401 4.320 -0.004 0.000 0.275 267 K C -0.086 176.525 176.600 0.019 0.000 1.018 267 K CA -0.146 56.163 56.287 0.038 0.000 0.962 267 K CB 0.547 33.082 32.500 0.059 0.000 0.953 267 K HN 0.034 nan 8.250 nan 0.000 0.475 268 D N 3.927 124.336 120.400 0.015 0.000 2.488 268 D HA -0.033 4.605 4.640 -0.004 0.000 0.238 268 D C -1.232 175.070 176.300 0.004 0.000 1.138 268 D CA -1.102 52.901 54.000 0.005 0.000 0.873 268 D CB 0.550 41.356 40.800 0.009 0.000 1.183 268 D HN 0.194 nan 8.370 nan 0.000 0.458 269 P HA -0.197 nan 4.420 nan 0.000 0.218 269 P C 1.264 178.569 177.300 0.008 0.000 1.148 269 P CA 1.165 64.254 63.100 -0.018 0.000 0.822 269 P CB 0.484 32.161 31.700 -0.037 0.000 0.784 270 Q N 0.869 120.677 119.800 0.014 0.000 2.124 270 Q HA -0.177 4.161 4.340 -0.004 0.000 0.202 270 Q C 2.099 178.125 176.000 0.044 0.000 0.977 270 Q CA 1.708 57.528 55.803 0.028 0.000 0.850 270 Q CB -0.717 28.035 28.738 0.024 0.000 0.901 270 Q HN 0.361 nan 8.270 nan 0.000 0.429 271 E N -0.557 119.668 120.200 0.043 0.000 2.106 271 E HA -0.150 4.198 4.350 -0.004 0.000 0.192 271 E C 1.973 178.617 176.600 0.073 0.000 0.984 271 E CA 1.150 57.584 56.400 0.057 0.000 0.806 271 E CB -0.141 29.587 29.700 0.048 0.000 0.750 271 E HN 0.411 nan 8.360 nan 0.000 0.458 272 I N 1.088 121.696 120.570 0.064 0.000 2.142 272 I HA -0.287 3.881 4.170 -0.004 0.000 0.240 272 I C 2.368 178.529 176.117 0.073 0.000 1.078 272 I CA 1.053 62.395 61.300 0.070 0.000 1.343 272 I CB -0.195 37.846 38.000 0.068 0.000 1.046 272 I HN 0.090 nan 8.210 nan 0.000 0.405 273 L N -0.297 120.963 121.223 0.061 0.000 2.042 273 L HA -0.255 4.083 4.340 -0.004 0.000 0.210 273 L C 2.561 179.487 176.870 0.093 0.000 1.076 273 L CA 1.111 55.992 54.840 0.067 0.000 0.749 273 L CB -0.537 41.553 42.059 0.052 0.000 0.893 273 L HN 0.257 nan 8.230 nan 0.000 0.432 274 L N -0.059 121.231 121.223 0.111 0.000 2.127 274 L HA -0.225 4.113 4.340 -0.004 0.000 0.211 274 L C 1.833 178.865 176.870 0.270 0.000 1.089 274 L CA 1.937 56.875 54.840 0.162 0.000 0.757 274 L CB -0.576 41.569 42.059 0.144 0.000 0.899 274 L HN 0.282 nan 8.230 nan 0.000 0.434 275 N N -1.654 117.196 118.700 0.250 0.000 2.373 275 N HA -0.040 4.698 4.740 -0.004 0.000 0.181 275 N C 1.423 177.116 175.510 0.305 0.000 1.082 275 N CA 0.084 53.355 53.050 0.369 0.000 0.885 275 N CB 0.182 38.817 38.487 0.247 0.000 0.977 275 N HN 0.334 nan 8.380 nan 0.000 0.462 276 E N 1.029 121.353 120.200 0.206 0.000 2.070 276 E HA -0.240 4.108 4.350 -0.004 0.000 0.197 276 E C 1.921 178.578 176.600 0.094 0.000 1.004 276 E CA 1.282 57.846 56.400 0.273 0.000 0.805 276 E CB -0.134 29.721 29.700 0.258 0.000 0.744 276 E HN 0.430 nan 8.360 nan 0.000 0.451 277 A N 0.636 123.346 122.820 -0.182 0.000 2.024 277 A HA -0.155 4.163 4.320 -0.004 0.000 0.220 277 A C 1.647 178.963 177.584 -0.447 0.000 1.164 277 A CA 1.168 52.950 52.037 -0.426 0.000 0.643 277 A CB -0.578 17.994 19.000 -0.713 0.000 0.806 277 A HN 0.192 nan 8.150 nan 0.000 0.451 278 F N -0.415 119.569 119.950 0.058 0.000 2.797 278 F HA 0.071 4.596 4.527 -0.004 0.000 0.302 278 F C 2.017 177.824 175.800 0.012 0.000 1.130 278 F CA 0.531 58.549 58.000 0.031 0.000 1.387 278 F CB -0.431 38.590 39.000 0.036 0.000 1.107 278 F HN 0.120 nan 8.300 nan 0.000 0.577 279 V N -1.512 118.475 119.914 0.122 0.000 3.241 279 V HA 0.007 4.124 4.120 -0.004 0.000 0.269 279 V C 0.595 176.659 176.094 -0.050 0.000 1.151 279 V CA 0.442 62.774 62.300 0.054 0.000 1.158 279 V CB -1.690 30.164 31.823 0.052 0.000 0.764 279 V HN 0.052 nan 8.190 nan 0.000 0.508 280 V N -3.857 116.017 119.914 -0.068 0.000 2.769 280 V HA 0.618 4.735 4.120 -0.004 0.000 0.312 280 V C -0.935 175.084 176.094 -0.125 0.000 1.061 280 V CA -1.463 60.759 62.300 -0.130 0.000 0.931 280 V CB 1.211 32.944 31.823 -0.151 0.000 1.010 280 V HN 0.087 nan 8.190 nan 0.000 0.433 281 P HA 0.002 nan 4.420 nan 0.000 0.216 281 P C -0.215 177.008 177.300 -0.128 0.000 1.153 281 P CA 1.455 64.421 63.100 -0.223 0.000 0.844 281 P CB -0.094 31.374 31.700 -0.387 0.000 0.787 282 Y N -1.888 118.425 120.300 0.021 0.000 2.512 282 Y HA 0.819 5.366 4.550 -0.004 0.000 0.348 282 Y C 0.081 175.967 175.900 -0.022 0.000 0.990 282 Y CA -1.861 56.243 58.100 0.006 0.000 1.033 282 Y CB 0.949 39.416 38.460 0.011 0.000 1.259 282 Y HN -0.047 nan 8.280 nan 0.000 0.461 283 G N 0.136 109.029 108.800 0.155 0.000 2.714 283 G HA2 0.661 4.619 3.960 -0.004 0.000 0.292 283 G HA3 0.661 4.619 3.960 -0.004 0.000 0.292 283 G C -1.123 173.770 174.900 -0.013 0.000 1.308 283 G CA -0.738 44.392 45.100 0.050 0.000 0.964 283 G HN 0.991 nan 8.290 nan 0.000 0.484 284 T N -2.514 111.993 114.554 -0.079 0.000 2.907 284 T HA 0.595 4.943 4.350 -0.004 0.000 0.290 284 T C -2.213 172.380 174.700 -0.179 0.000 1.066 284 T CA -1.659 60.319 62.100 -0.204 0.000 1.012 284 T CB 2.258 70.985 68.868 -0.234 0.000 1.184 284 T HN 0.112 nan 8.240 nan 0.000 0.522 285 P HA 0.128 nan 4.420 nan 0.000 0.229 285 P C 0.665 177.939 177.300 -0.043 0.000 1.150 285 P CA 0.670 63.738 63.100 -0.053 0.000 0.765 285 P CB -0.055 31.700 31.700 0.091 0.000 0.783 286 L N -2.078 119.062 121.223 -0.139 0.000 2.857 286 L HA 0.171 4.509 4.340 -0.004 0.000 0.249 286 L C 0.513 177.277 176.870 -0.177 0.000 1.172 286 L CA -0.021 54.657 54.840 -0.270 0.000 0.980 286 L CB 0.043 41.863 42.059 -0.398 0.000 1.299 286 L HN -0.270 nan 8.230 nan 0.000 0.535 287 S N 0.214 115.848 115.700 -0.109 0.000 2.546 287 S HA 0.140 4.608 4.470 -0.004 0.000 0.290 287 S C 0.168 174.741 174.600 -0.045 0.000 1.290 287 S CA -0.043 58.117 58.200 -0.065 0.000 1.069 287 S CB 0.962 64.124 63.200 -0.064 0.000 0.846 287 S HN -0.035 nan 8.310 nan 0.000 0.495 288 V N 5.291 125.200 119.914 -0.009 0.000 2.276 288 V HA 0.190 4.308 4.120 -0.004 0.000 0.268 288 V C 0.850 176.914 176.094 -0.050 0.000 1.032 288 V CA -0.593 61.727 62.300 0.034 0.000 0.810 288 V CB 0.490 32.403 31.823 0.150 0.000 1.060 288 V HN 0.868 nan 8.190 nan 0.000 0.446 289 N N 3.037 121.685 118.700 -0.086 0.000 2.142 289 N HA 0.017 4.754 4.740 -0.004 0.000 0.186 289 N C -0.257 174.866 175.510 -0.645 0.000 1.023 289 N CA 1.227 54.077 53.050 -0.334 0.000 0.852 289 N CB 0.116 38.423 38.487 -0.300 0.000 0.998 289 N HN 0.505 nan 8.380 nan 0.000 0.424 290 F N 0.178 120.154 119.950 0.043 0.000 2.430 290 F HA 0.494 5.019 4.527 -0.004 0.000 0.362 290 F C 0.651 176.420 175.800 -0.052 0.000 1.103 290 F CA -0.854 57.186 58.000 0.067 0.000 1.045 290 F CB 1.581 40.683 39.000 0.171 0.000 1.276 290 F HN -0.150 nan 8.300 nan 0.000 0.444 291 G N 2.258 110.994 108.800 -0.107 0.000 3.140 291 G HA2 0.689 4.647 3.960 -0.004 0.000 0.271 291 G HA3 0.689 4.647 3.960 -0.004 0.000 0.271 291 G C -3.165 171.402 174.900 -0.555 0.000 1.370 291 G CA -2.236 42.491 45.100 -0.622 0.000 1.014 291 G HN 0.122 nan 8.290 nan 0.000 0.541 292 P HA 0.240 nan 4.420 nan 0.000 0.267 292 P C -0.036 177.158 177.300 -0.177 0.000 1.200 292 P CA 0.286 63.152 63.100 -0.390 0.000 0.772 292 P CB 0.932 32.317 31.700 -0.525 0.000 0.855 293 T N -2.005 112.517 114.554 -0.053 0.000 2.865 293 T HA 0.421 4.769 4.350 -0.004 0.000 0.294 293 T C -0.525 174.175 174.700 0.000 0.000 1.119 293 T CA -0.864 61.224 62.100 -0.021 0.000 1.007 293 T CB 0.556 69.439 68.868 0.024 0.000 1.225 293 T HN -0.036 nan 8.240 nan 0.000 0.515 294 V N 3.268 123.183 119.914 0.002 0.000 2.370 294 V HA 0.191 4.309 4.120 -0.004 0.000 0.257 294 V C 0.837 176.955 176.094 0.040 0.000 1.064 294 V CA -0.061 62.247 62.300 0.013 0.000 0.975 294 V CB -0.219 31.603 31.823 -0.002 0.000 1.067 294 V HN 1.045 nan 8.190 nan 0.000 0.485 295 D N 3.010 123.453 120.400 0.072 0.000 2.360 295 D HA 0.109 4.747 4.640 -0.004 0.000 0.210 295 D C 1.472 177.827 176.300 0.091 0.000 1.047 295 D CA 0.625 54.682 54.000 0.096 0.000 0.854 295 D CB 0.468 41.361 40.800 0.154 0.000 0.936 295 D HN 0.720 nan 8.370 nan 0.000 0.514 296 G N 0.845 109.689 108.800 0.073 0.000 2.168 296 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.257 296 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.257 296 G C 0.329 175.282 174.900 0.088 0.000 0.997 296 G CA 0.819 45.954 45.100 0.059 0.000 0.708 296 G HN 0.538 nan 8.290 nan 0.000 0.520 297 D N -1.716 118.774 120.400 0.151 0.000 3.045 297 D HA 0.182 4.819 4.640 -0.004 0.000 0.196 297 D C 1.668 178.127 176.300 0.265 0.000 1.520 297 D CA 0.413 54.553 54.000 0.234 0.000 1.466 297 D CB -0.620 40.376 40.800 0.326 0.000 1.152 297 D HN 0.112 nan 8.370 nan 0.000 0.254 298 F N 1.289 121.341 119.950 0.169 0.000 2.134 298 F HA 0.237 4.762 4.527 -0.004 0.000 0.299 298 F C 0.553 176.286 175.800 -0.112 0.000 1.097 298 F CA 1.062 58.978 58.000 -0.139 0.000 1.264 298 F CB 0.322 38.978 39.000 -0.573 0.000 1.001 298 F HN -0.050 nan 8.300 nan 0.000 0.479 299 L N 0.897 122.175 121.223 0.091 0.000 2.319 299 L HA 0.205 4.543 4.340 -0.004 0.000 0.281 299 L C 1.168 178.032 176.870 -0.010 0.000 1.005 299 L CA -0.111 54.721 54.840 -0.013 0.000 0.828 299 L CB 1.685 43.756 42.059 0.020 0.000 1.227 299 L HN 0.084 nan 8.230 nan 0.000 0.415 300 T N -2.029 112.496 114.554 -0.048 0.000 3.067 300 T HA 0.060 4.408 4.350 -0.004 0.000 0.261 300 T C 0.357 175.040 174.700 -0.029 0.000 1.110 300 T CA 0.358 62.441 62.100 -0.029 0.000 1.113 300 T CB 0.317 69.159 68.868 -0.044 0.000 0.917 300 T HN 0.501 nan 8.240 nan 0.000 0.499 301 D N -0.640 119.733 120.400 -0.045 0.000 2.665 301 D HA 0.315 4.953 4.640 -0.004 0.000 0.287 301 D C -1.078 175.190 176.300 -0.054 0.000 1.266 301 D CA -0.856 53.121 54.000 -0.039 0.000 0.830 301 D CB 1.430 42.205 40.800 -0.041 0.000 1.356 301 D HN 0.109 nan 8.370 nan 0.000 0.437 302 M N 2.428 122.005 119.600 -0.039 0.000 2.327 302 M HA 0.104 4.581 4.480 -0.004 0.000 0.353 302 M C -1.350 174.908 176.300 -0.071 0.000 1.539 302 M CA -0.856 54.419 55.300 -0.043 0.000 1.039 302 M CB 0.603 33.195 32.600 -0.014 0.000 1.967 302 M HN 0.210 nan 8.290 nan 0.000 0.459 303 P HA -0.205 nan 4.420 nan 0.000 0.220 303 P C 0.624 177.879 177.300 -0.076 0.000 1.148 303 P CA 1.383 64.293 63.100 -0.316 0.000 0.803 303 P CB -0.250 31.017 31.700 -0.722 0.000 0.782 304 D N 0.723 121.181 120.400 0.097 0.000 2.123 304 D HA -0.178 4.459 4.640 -0.004 0.000 0.196 304 D C 2.038 178.418 176.300 0.134 0.000 0.992 304 D CA 1.068 55.185 54.000 0.196 0.000 0.833 304 D CB -1.094 39.789 40.800 0.139 0.000 0.954 304 D HN 0.239 nan 8.370 nan 0.000 0.455 305 I N 0.579 121.189 120.570 0.066 0.000 2.179 305 I HA -0.236 3.931 4.170 -0.004 0.000 0.242 305 I C 2.805 178.949 176.117 0.045 0.000 1.088 305 I CA 0.698 62.028 61.300 0.049 0.000 1.357 305 I CB -0.329 37.681 38.000 0.017 0.000 1.051 305 I HN -0.053 nan 8.210 nan 0.000 0.409 306 L N 0.086 121.320 121.223 0.018 0.000 2.012 306 L HA -0.249 4.088 4.340 -0.004 0.000 0.210 306 L C 2.640 179.580 176.870 0.117 0.000 1.073 306 L CA 1.160 56.005 54.840 0.009 0.000 0.748 306 L CB -0.629 41.409 42.059 -0.035 0.000 0.891 306 L HN 0.289 nan 8.230 nan 0.000 0.431 307 L N 0.334 121.693 121.223 0.227 0.000 1.994 307 L HA -0.229 4.109 4.340 -0.004 0.000 0.208 307 L C 2.513 179.557 176.870 0.290 0.000 1.071 307 L CA 1.970 57.012 54.840 0.336 0.000 0.745 307 L CB -0.619 41.700 42.059 0.432 0.000 0.892 307 L HN 0.211 nan 8.230 nan 0.000 0.431 308 E N -0.128 120.209 120.200 0.229 0.000 2.097 308 E HA -0.221 4.126 4.350 -0.004 0.000 0.196 308 E C 1.728 178.504 176.600 0.293 0.000 1.000 308 E CA 1.914 58.461 56.400 0.245 0.000 0.804 308 E CB -0.389 29.413 29.700 0.169 0.000 0.740 308 E HN 0.598 nan 8.360 nan 0.000 0.454 309 L N -1.112 120.175 121.223 0.107 0.000 2.685 309 L HA 0.337 4.675 4.340 -0.004 0.000 0.233 309 L C 1.136 177.633 176.870 -0.621 0.000 1.173 309 L CA 0.151 54.986 54.840 -0.008 0.000 0.961 309 L CB 0.013 42.061 42.059 -0.018 0.000 1.217 309 L HN 0.398 nan 8.230 nan 0.000 0.478 310 G N 0.156 108.329 108.800 -1.044 0.000 2.160 310 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.251 310 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.251 310 G C 0.266 174.168 174.900 -1.664 0.000 1.008 310 G CA -0.183 43.465 45.100 -2.420 0.000 0.724 310 G HN 0.360 nan 8.290 nan 0.000 0.514 311 Q N -0.307 119.005 119.800 -0.812 0.000 2.810 311 Q HA 0.559 4.896 4.340 -0.004 0.000 0.236 311 Q C 0.037 175.907 176.000 -0.218 0.000 1.278 311 Q CA 0.091 55.608 55.803 -0.476 0.000 1.065 311 Q CB -0.487 28.104 28.738 -0.244 0.000 1.364 311 Q HN 0.897 nan 8.270 nan 0.000 0.570 312 F N -2.394 117.433 119.950 -0.205 0.000 2.741 312 F HA 0.450 4.973 4.527 -0.005 0.000 0.311 312 F C -0.448 175.348 175.800 -0.007 0.000 1.149 312 F CA -1.687 56.284 58.000 -0.048 0.000 0.930 312 F CB 0.989 40.012 39.000 0.039 0.000 1.312 312 F HN -0.124 nan 8.300 nan 0.000 0.450 313 K N 1.908 122.548 120.400 0.400 0.000 2.451 313 K HA 0.112 4.430 4.320 -0.004 0.000 0.280 313 K C -0.692 176.088 176.600 0.300 0.000 1.020 313 K CA -0.295 56.124 56.287 0.219 0.000 1.008 313 K CB 0.507 32.991 32.500 -0.028 0.000 0.917 313 K HN 0.524 nan 8.250 nan 0.000 0.478 314 K N 3.533 124.009 120.400 0.127 0.000 2.250 314 K HA 0.150 4.467 4.320 -0.004 0.000 0.280 314 K C -0.195 176.501 176.600 0.161 0.000 1.098 314 K CA -0.093 56.270 56.287 0.125 0.000 0.916 314 K CB 1.138 33.654 32.500 0.026 0.000 1.209 314 K HN 0.764 nan 8.250 nan 0.000 0.461 315 T N 1.095 115.842 114.554 0.321 0.000 2.693 315 T HA 0.251 4.599 4.350 -0.004 0.000 0.304 315 T C -1.421 173.508 174.700 0.381 0.000 1.471 315 T CA -0.664 61.584 62.100 0.247 0.000 0.993 315 T CB 0.903 69.842 68.868 0.119 0.000 1.554 315 T HN 0.351 nan 8.240 nan 0.000 0.496 316 Q N 1.153 121.118 119.800 0.275 0.000 2.306 316 Q HA 0.712 5.050 4.340 -0.004 0.000 0.241 316 Q C -0.163 176.108 176.000 0.452 0.000 0.948 316 Q CA -0.302 55.723 55.803 0.369 0.000 0.886 316 Q CB 0.799 29.752 28.738 0.358 0.000 1.227 316 Q HN 0.652 nan 8.270 nan 0.000 0.457 317 I N -1.571 119.211 120.570 0.354 0.000 2.730 317 I HA 0.642 4.810 4.170 -0.004 0.000 0.298 317 I C -1.375 174.641 176.117 -0.169 0.000 1.089 317 I CA -1.334 60.026 61.300 0.099 0.000 1.041 317 I CB 1.772 39.607 38.000 -0.274 0.000 1.235 317 I HN 0.492 nan 8.210 nan 0.000 0.423 318 L N 6.077 126.941 121.223 -0.598 0.000 2.349 318 L HA 0.803 5.140 4.340 -0.004 0.000 0.278 318 L C -1.462 175.148 176.870 -0.433 0.000 0.996 318 L CA -0.604 53.771 54.840 -0.776 0.000 0.825 318 L CB 1.666 42.763 42.059 -1.603 0.000 1.243 318 L HN 0.599 nan 8.230 nan 0.000 0.412 319 V N 3.718 123.437 119.914 -0.326 0.000 2.876 319 V HA 0.971 5.089 4.120 -0.004 0.000 0.312 319 V C 0.142 175.626 176.094 -1.017 0.000 1.085 319 V CA -0.292 61.747 62.300 -0.436 0.000 0.945 319 V CB 1.767 33.421 31.823 -0.281 0.000 1.017 319 V HN 0.923 nan 8.190 nan 0.000 0.428 320 G N 1.306 109.359 108.800 -1.245 0.000 2.559 320 G HA2 0.793 4.751 3.960 -0.004 0.000 0.291 320 G HA3 0.793 4.751 3.960 -0.004 0.000 0.291 320 G C -1.463 172.824 174.900 -1.021 0.000 1.424 320 G CA 0.090 43.883 45.100 -2.178 0.000 0.786 320 G HN 1.439 nan 8.290 nan 0.000 0.485 321 V N -2.524 117.044 119.914 -0.577 0.000 3.181 321 V HA 0.812 4.930 4.120 -0.004 0.000 0.308 321 V C -1.204 175.005 176.094 0.193 0.000 1.214 321 V CA -1.519 60.789 62.300 0.014 0.000 1.053 321 V CB 1.910 33.859 31.823 0.211 0.000 1.069 321 V HN 0.642 nan 8.190 nan 0.000 0.441 322 N N 0.879 119.688 118.700 0.180 0.000 2.466 322 N HA 0.431 5.169 4.740 -0.004 0.000 0.294 322 N C 0.568 176.079 175.510 0.001 0.000 1.129 322 N CA -0.510 52.629 53.050 0.148 0.000 0.931 322 N CB 1.920 40.525 38.487 0.195 0.000 1.193 322 N HN 0.950 nan 8.380 nan 0.000 0.500 323 K N 0.282 120.549 120.400 -0.221 0.000 2.063 323 K HA -0.100 4.217 4.320 -0.004 0.000 0.208 323 K C -0.565 176.094 176.600 0.099 0.000 1.048 323 K CA 1.370 57.543 56.287 -0.190 0.000 0.928 323 K CB 0.178 32.544 32.500 -0.224 0.000 0.713 323 K HN 0.508 nan 8.250 nan 0.000 0.442 324 D N 1.132 121.576 120.400 0.073 0.000 3.068 324 D HA 0.027 4.664 4.640 -0.004 0.000 0.327 324 D C 0.315 176.662 176.300 0.079 0.000 1.361 324 D CA -0.081 53.977 54.000 0.098 0.000 0.877 324 D CB 1.026 41.865 40.800 0.065 0.000 1.088 324 D HN 0.190 nan 8.370 nan 0.000 0.489 325 E N 0.641 120.903 120.200 0.103 0.000 2.136 325 E HA -0.186 4.162 4.350 -0.004 0.000 0.202 325 E C 1.971 178.616 176.600 0.076 0.000 1.019 325 E CA 1.170 57.596 56.400 0.044 0.000 0.819 325 E CB -0.055 29.681 29.700 0.060 0.000 0.739 325 E HN 0.420 nan 8.360 nan 0.000 0.458 326 G N 0.804 109.686 108.800 0.137 0.000 2.511 326 G HA2 -0.181 3.776 3.960 -0.004 0.000 0.217 326 G HA3 -0.181 3.776 3.960 -0.004 0.000 0.217 326 G C 1.699 176.677 174.900 0.130 0.000 1.133 326 G CA 1.224 46.423 45.100 0.165 0.000 0.792 326 G HN 0.404 nan 8.290 nan 0.000 0.539 327 T N -0.413 114.170 114.554 0.048 0.000 2.788 327 T HA 0.041 4.389 4.350 -0.004 0.000 0.268 327 T C 2.557 177.171 174.700 -0.143 0.000 1.044 327 T CA 1.622 63.731 62.100 0.016 0.000 1.139 327 T CB -0.393 68.452 68.868 -0.038 0.000 0.867 327 T HN 0.285 nan 8.240 nan 0.000 0.454 328 A N 1.004 123.606 122.820 -0.363 0.000 1.978 328 A HA 0.099 4.416 4.320 -0.004 0.000 0.220 328 A C 1.927 179.249 177.584 -0.437 0.000 1.170 328 A CA 1.308 52.951 52.037 -0.656 0.000 0.636 328 A CB -1.061 17.368 19.000 -0.952 0.000 0.810 328 A HN 0.608 nan 8.150 nan 0.000 0.448 329 F N -0.377 119.572 119.950 -0.001 0.000 2.615 329 F HA 0.137 4.661 4.527 -0.004 0.000 0.297 329 F C 1.809 177.833 175.800 0.374 0.000 1.124 329 F CA 0.329 58.435 58.000 0.178 0.000 1.451 329 F CB -0.285 38.798 39.000 0.138 0.000 1.103 329 F HN 0.067 nan 8.300 nan 0.000 0.569 330 L N 0.173 121.579 121.223 0.305 0.000 2.201 330 L HA -0.119 4.219 4.340 -0.004 0.000 0.212 330 L C 2.132 179.113 176.870 0.186 0.000 1.105 330 L CA 0.819 55.711 54.840 0.087 0.000 0.775 330 L CB -0.728 41.048 42.059 -0.472 0.000 0.913 330 L HN 0.184 nan 8.230 nan 0.000 0.440 331 V N -5.542 114.575 119.914 0.339 0.000 3.623 331 V HA -0.068 4.050 4.120 -0.004 0.000 0.271 331 V C 0.934 177.149 176.094 0.202 0.000 1.248 331 V CA 0.313 62.825 62.300 0.353 0.000 1.156 331 V CB -1.093 30.959 31.823 0.383 0.000 0.870 331 V HN 0.256 nan 8.190 nan 0.000 0.453 332 Y N 1.873 122.327 120.300 0.257 0.000 2.746 332 Y HA 0.698 5.246 4.550 -0.004 0.000 0.312 332 Y C 1.605 177.545 175.900 0.066 0.000 1.117 332 Y CA 0.095 58.292 58.100 0.161 0.000 1.324 332 Y CB 0.573 39.121 38.460 0.148 0.000 1.173 332 Y HN 0.387 nan 8.280 nan 0.000 0.529 333 G N -1.115 107.786 108.800 0.168 0.000 2.902 333 G HA2 0.008 3.966 3.960 -0.004 0.000 0.215 333 G HA3 0.008 3.966 3.960 -0.004 0.000 0.215 333 G C 0.093 175.043 174.900 0.082 0.000 0.976 333 G CA -0.357 44.787 45.100 0.073 0.000 0.794 333 G HN 0.433 nan 8.290 nan 0.000 0.557 334 A N 1.568 124.489 122.820 0.168 0.000 2.409 334 A HA 0.704 5.021 4.320 -0.004 0.000 0.262 334 A C -2.046 175.766 177.584 0.379 0.000 1.113 334 A CA -0.935 51.261 52.037 0.263 0.000 0.790 334 A CB 0.116 19.272 19.000 0.259 0.000 1.046 334 A HN 0.104 nan 8.150 nan 0.000 0.496 335 P HA 0.350 nan 4.420 nan 0.000 0.271 335 P C 1.004 178.423 177.300 0.199 0.000 1.216 335 P CA 1.338 64.561 63.100 0.205 0.000 0.776 335 P CB 0.932 32.708 31.700 0.127 0.000 0.881 336 G N 0.825 109.676 108.800 0.084 0.000 2.199 336 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.254 336 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.254 336 G C -0.149 174.610 174.900 -0.235 0.000 0.982 336 G CA -0.470 44.574 45.100 -0.094 0.000 0.632 336 G HN 0.406 nan 8.290 nan 0.000 0.529 337 F N 1.268 121.238 119.950 0.033 0.000 2.399 337 F HA 0.736 5.261 4.527 -0.004 0.000 0.334 337 F C 0.684 176.561 175.800 0.128 0.000 1.097 337 F CA 0.102 58.126 58.000 0.040 0.000 1.076 337 F CB 2.223 41.307 39.000 0.140 0.000 1.162 337 F HN 0.148 nan 8.300 nan 0.000 0.495 338 S N 1.772 117.683 115.700 0.351 0.000 2.543 338 S HA 0.230 4.697 4.470 -0.004 0.000 0.273 338 S C 0.211 175.090 174.600 0.465 0.000 1.152 338 S CA -0.935 57.461 58.200 0.327 0.000 0.910 338 S CB 1.162 64.463 63.200 0.168 0.000 1.105 338 S HN 0.761 nan 8.310 nan 0.000 0.465 339 K N 1.840 122.424 120.400 0.307 0.000 2.442 339 K HA 0.057 4.375 4.320 -0.004 0.000 0.198 339 K C -0.063 176.599 176.600 0.104 0.000 1.042 339 K CA 1.239 57.644 56.287 0.197 0.000 0.958 339 K CB -0.093 32.314 32.500 -0.155 0.000 0.766 339 K HN 0.459 nan 8.250 nan 0.000 0.474 340 D N 0.931 121.380 120.400 0.082 0.000 2.363 340 D HA 0.044 4.682 4.640 -0.004 0.000 0.214 340 D C -0.458 175.888 176.300 0.076 0.000 1.093 340 D CA 0.081 54.097 54.000 0.025 0.000 0.837 340 D CB 0.178 40.959 40.800 -0.031 0.000 0.948 340 D HN 0.471 nan 8.370 nan 0.000 0.507 341 N N -0.518 118.270 118.700 0.147 0.000 3.039 341 N HA 0.001 4.739 4.740 -0.004 0.000 0.257 341 N C 0.145 175.723 175.510 0.114 0.000 1.497 341 N CA -0.680 52.428 53.050 0.097 0.000 0.861 341 N CB 0.174 38.672 38.487 0.018 0.000 1.479 341 N HN -0.309 nan 8.380 nan 0.000 0.547 342 N N -0.933 117.766 118.700 -0.001 0.000 2.521 342 N HA -0.014 4.724 4.740 -0.004 0.000 0.188 342 N C -0.731 174.485 175.510 -0.490 0.000 1.146 342 N CA 0.464 53.460 53.050 -0.089 0.000 0.893 342 N CB -0.504 37.972 38.487 -0.017 0.000 0.975 342 N HN 0.541 nan 8.380 nan 0.000 0.451 343 S N -0.381 115.023 115.700 -0.494 0.000 3.641 343 S HA -0.123 4.344 4.470 -0.004 0.000 0.346 343 S C -0.127 174.064 174.600 -0.682 0.000 1.074 343 S CA 0.087 57.842 58.200 -0.740 0.000 1.026 343 S CB -1.589 60.839 63.200 -1.287 0.000 0.908 343 S HN 0.405 nan 8.310 nan 0.000 0.479 344 I N 2.514 122.843 120.570 -0.401 0.000 2.578 344 I HA 0.170 4.338 4.170 -0.004 0.000 0.286 344 I C 0.857 176.808 176.117 -0.277 0.000 1.126 344 I CA 0.252 61.383 61.300 -0.282 0.000 1.380 344 I CB -0.813 37.084 38.000 -0.171 0.000 1.408 344 I HN 0.417 nan 8.210 nan 0.000 0.532 345 I N 3.663 124.075 120.570 -0.263 0.000 2.707 345 I HA 0.669 4.837 4.170 -0.004 0.000 0.309 345 I C 0.728 176.816 176.117 -0.049 0.000 1.001 345 I CA -0.686 60.498 61.300 -0.194 0.000 1.129 345 I CB 1.850 39.696 38.000 -0.256 0.000 1.308 345 I HN 0.540 nan 8.210 nan 0.000 0.466 346 T N 0.105 114.610 114.554 -0.081 0.000 2.824 346 T HA 0.324 4.671 4.350 -0.004 0.000 0.277 346 T C 0.997 175.446 174.700 -0.418 0.000 0.975 346 T CA -0.438 61.578 62.100 -0.140 0.000 0.966 346 T CB 1.403 70.212 68.868 -0.097 0.000 1.054 346 T HN 0.855 nan 8.240 nan 0.000 0.533 347 R N 0.235 120.309 120.500 -0.710 0.000 2.091 347 R HA -0.136 4.201 4.340 -0.004 0.000 0.238 347 R C 2.207 178.343 176.300 -0.273 0.000 1.136 347 R CA 1.641 57.164 56.100 -0.962 0.000 0.959 347 R CB -0.360 29.646 30.300 -0.490 0.000 0.856 347 R HN 0.599 nan 8.270 nan 0.000 0.437 348 K N 0.962 121.283 120.400 -0.131 0.000 2.057 348 K HA -0.137 4.180 4.320 -0.004 0.000 0.207 348 K C 1.717 178.334 176.600 0.028 0.000 1.049 348 K CA 1.980 58.257 56.287 -0.017 0.000 0.931 348 K CB -0.054 32.439 32.500 -0.011 0.000 0.714 348 K HN 0.334 nan 8.250 nan 0.000 0.440 349 E N -0.932 119.277 120.200 0.015 0.000 2.077 349 E HA -0.186 4.162 4.350 -0.004 0.000 0.193 349 E C 1.867 178.567 176.600 0.167 0.000 0.989 349 E CA 1.247 57.691 56.400 0.073 0.000 0.800 349 E CB -0.301 29.418 29.700 0.032 0.000 0.746 349 E HN 0.316 nan 8.360 nan 0.000 0.452 350 F N 2.141 122.107 119.950 0.027 0.000 2.091 350 F HA -0.292 4.233 4.527 -0.004 0.000 0.299 350 F C 2.289 178.179 175.800 0.150 0.000 1.103 350 F CA 1.852 59.941 58.000 0.148 0.000 1.228 350 F CB -0.078 39.017 39.000 0.160 0.000 0.984 350 F HN -0.053 nan 8.300 nan 0.000 0.477 351 Q N -0.185 119.754 119.800 0.232 0.000 2.096 351 Q HA -0.207 4.130 4.340 -0.004 0.000 0.204 351 Q C 2.143 178.181 176.000 0.064 0.000 0.982 351 Q CA 1.708 57.594 55.803 0.138 0.000 0.850 351 Q CB -0.236 28.591 28.738 0.149 0.000 0.901 351 Q HN 0.457 nan 8.270 nan 0.000 0.422 352 E N -0.192 120.053 120.200 0.075 0.000 2.106 352 E HA -0.121 4.227 4.350 -0.004 0.000 0.192 352 E C 2.105 178.754 176.600 0.081 0.000 0.984 352 E CA 1.138 57.581 56.400 0.072 0.000 0.806 352 E CB -0.402 29.343 29.700 0.075 0.000 0.750 352 E HN 0.481 nan 8.360 nan 0.000 0.458 353 G N 1.657 110.517 108.800 0.099 0.000 2.469 353 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.219 353 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.219 353 G C 1.731 176.743 174.900 0.186 0.000 1.150 353 G CA 0.662 45.855 45.100 0.155 0.000 0.763 353 G HN 0.179 nan 8.290 nan 0.000 0.561 354 L N -0.336 120.918 121.223 0.051 0.000 2.093 354 L HA -0.030 4.308 4.340 -0.004 0.000 0.208 354 L C 2.950 179.984 176.870 0.272 0.000 1.085 354 L CA 1.138 56.092 54.840 0.190 0.000 0.755 354 L CB -0.297 41.761 42.059 -0.001 0.000 0.904 354 L HN 0.197 nan 8.230 nan 0.000 0.435 355 K N 0.001 120.480 120.400 0.132 0.000 2.057 355 K HA -0.158 4.159 4.320 -0.004 0.000 0.207 355 K C 2.066 178.679 176.600 0.022 0.000 1.049 355 K CA 1.118 57.451 56.287 0.076 0.000 0.931 355 K CB -0.050 32.471 32.500 0.036 0.000 0.714 355 K HN 0.125 nan 8.250 nan 0.000 0.440 356 I N 0.272 120.840 120.570 -0.003 0.000 2.127 356 I HA -0.253 3.914 4.170 -0.004 0.000 0.241 356 I C 2.056 177.989 176.117 -0.306 0.000 1.075 356 I CA 1.813 63.010 61.300 -0.173 0.000 1.334 356 I CB -0.969 36.883 38.000 -0.246 0.000 1.040 356 I HN 0.064 nan 8.210 nan 0.000 0.405 357 F N -0.725 119.185 119.950 -0.067 0.000 2.615 357 F HA 0.019 4.544 4.527 -0.004 0.000 0.297 357 F C 0.968 176.418 175.800 -0.583 0.000 1.124 357 F CA 0.464 58.280 58.000 -0.307 0.000 1.451 357 F CB -0.143 38.633 39.000 -0.374 0.000 1.103 357 F HN -0.131 nan 8.300 nan 0.000 0.569 358 F N 0.204 120.218 119.950 0.106 0.000 2.597 358 F HA 0.337 4.861 4.527 -0.004 0.000 0.336 358 F C -1.800 173.995 175.800 -0.009 0.000 1.432 358 F CA -2.064 55.986 58.000 0.083 0.000 1.120 358 F CB 0.037 39.105 39.000 0.113 0.000 1.253 358 F HN -0.212 nan 8.300 nan 0.000 0.546 359 P HA 0.020 nan 4.420 nan 0.000 0.226 359 P C 0.487 177.533 177.300 -0.422 0.000 1.146 359 P CA 1.093 63.993 63.100 -0.333 0.000 0.773 359 P CB 0.453 31.791 31.700 -0.604 0.000 0.772 360 G N -1.502 107.227 108.800 -0.120 0.000 1.834 360 G HA2 0.283 4.241 3.960 -0.004 0.000 0.247 360 G HA3 0.283 4.241 3.960 -0.004 0.000 0.247 360 G C -1.031 173.937 174.900 0.113 0.000 1.691 360 G CA -0.508 44.596 45.100 0.007 0.000 0.922 360 G HN -0.067 nan 8.290 nan 0.000 0.682 361 V N 0.036 120.028 119.914 0.130 0.000 3.973 361 V HA -0.198 3.920 4.120 -0.004 0.000 0.478 361 V C 1.359 177.511 176.094 0.097 0.000 0.682 361 V CA 0.849 63.230 62.300 0.135 0.000 1.931 361 V CB -1.896 30.096 31.823 0.281 0.000 2.329 361 V HN 2.367 nan 8.190 nan 0.000 0.500 362 S N 2.022 117.771 115.700 0.081 0.000 2.572 362 S HA 0.249 4.717 4.470 -0.004 0.000 0.267 362 S C 0.979 175.651 174.600 0.120 0.000 1.361 362 S CA 0.501 58.762 58.200 0.102 0.000 1.009 362 S CB 1.365 64.642 63.200 0.129 0.000 0.888 362 S HN 0.887 nan 8.310 nan 0.000 0.553 363 E N 0.613 120.889 120.200 0.126 0.000 2.118 363 E HA -0.110 4.238 4.350 -0.004 0.000 0.195 363 E C 1.434 178.131 176.600 0.161 0.000 0.992 363 E CA 1.586 58.062 56.400 0.127 0.000 0.804 363 E CB -0.464 29.307 29.700 0.118 0.000 0.741 363 E HN 0.763 nan 8.360 nan 0.000 0.458 364 F N -0.103 119.887 119.950 0.066 0.000 2.102 364 F HA -0.117 4.408 4.527 -0.004 0.000 0.298 364 F C 2.067 177.949 175.800 0.137 0.000 1.105 364 F CA 1.929 59.980 58.000 0.084 0.000 1.239 364 F CB -0.629 38.410 39.000 0.064 0.000 0.991 364 F HN 0.118 nan 8.300 nan 0.000 0.474 365 G N 0.450 109.245 108.800 -0.008 0.000 2.491 365 G HA2 -0.314 3.643 3.960 -0.004 0.000 0.218 365 G HA3 -0.314 3.643 3.960 -0.004 0.000 0.218 365 G C 1.695 176.638 174.900 0.071 0.000 1.180 365 G CA 1.147 46.231 45.100 -0.028 0.000 0.774 365 G HN 0.358 nan 8.290 nan 0.000 0.562 366 K N 0.238 120.671 120.400 0.054 0.000 2.097 366 K HA -0.049 4.269 4.320 -0.004 0.000 0.206 366 K C 2.460 179.084 176.600 0.040 0.000 1.049 366 K CA 1.213 57.516 56.287 0.027 0.000 0.933 366 K CB -0.148 32.386 32.500 0.056 0.000 0.717 366 K HN 0.396 nan 8.250 nan 0.000 0.442 367 E N 0.549 120.764 120.200 0.025 0.000 2.110 367 E HA -0.176 4.172 4.350 -0.004 0.000 0.193 367 E C 2.147 178.761 176.600 0.024 0.000 0.988 367 E CA 1.595 58.016 56.400 0.035 0.000 0.804 367 E CB -0.002 29.717 29.700 0.032 0.000 0.745 367 E HN 0.318 nan 8.360 nan 0.000 0.458 368 S N 0.646 116.304 115.700 -0.070 0.000 2.383 368 S HA -0.140 4.327 4.470 -0.004 0.000 0.227 368 S C 2.040 176.736 174.600 0.159 0.000 1.026 368 S CA 0.709 58.951 58.200 0.070 0.000 0.981 368 S CB -0.456 62.797 63.200 0.089 0.000 0.818 368 S HN 0.182 nan 8.310 nan 0.000 0.472 369 I N 1.076 121.717 120.570 0.117 0.000 2.142 369 I HA -0.137 4.031 4.170 -0.004 0.000 0.240 369 I C 2.567 178.731 176.117 0.078 0.000 1.078 369 I CA 1.215 62.484 61.300 -0.052 0.000 1.343 369 I CB -0.538 37.387 38.000 -0.125 0.000 1.046 369 I HN 0.295 nan 8.210 nan 0.000 0.405 370 L N 0.733 122.066 121.223 0.182 0.000 1.990 370 L HA -0.280 4.058 4.340 -0.004 0.000 0.213 370 L C 2.392 179.276 176.870 0.023 0.000 1.072 370 L CA 1.928 56.911 54.840 0.238 0.000 0.755 370 L CB -0.867 41.352 42.059 0.267 0.000 0.889 370 L HN 0.180 nan 8.230 nan 0.000 0.432 371 F N -0.347 119.532 119.950 -0.119 0.000 2.095 371 F HA -0.296 4.228 4.527 -0.004 0.000 0.298 371 F C 2.353 177.894 175.800 -0.431 0.000 1.104 371 F CA 2.162 60.006 58.000 -0.261 0.000 1.232 371 F CB -0.276 38.578 39.000 -0.244 0.000 0.987 371 F HN 0.298 nan 8.300 nan 0.000 0.475 372 H N -2.610 116.199 119.070 -0.435 0.000 2.462 372 H HA -0.044 4.509 4.556 -0.004 0.000 0.292 372 H C 1.123 176.016 175.328 -0.725 0.000 1.049 372 H CA 1.848 57.469 56.048 -0.713 0.000 1.334 372 H CB -0.287 28.822 29.762 -1.089 0.000 1.404 372 H HN 0.354 nan 8.280 nan 0.000 0.544 373 Y N -0.523 119.535 120.300 -0.402 0.000 2.458 373 Y HA 0.077 4.625 4.550 -0.004 0.000 0.256 373 Y C 1.319 176.846 175.900 -0.620 0.000 1.159 373 Y CA 0.697 58.608 58.100 -0.316 0.000 1.261 373 Y CB 0.813 39.252 38.460 -0.035 0.000 1.119 373 Y HN 0.171 nan 8.280 nan 0.000 0.524 374 T N -4.410 109.656 114.554 -0.813 0.000 3.252 374 T HA 0.110 4.457 4.350 -0.004 0.000 0.286 374 T C -0.087 173.604 174.700 -1.682 0.000 1.013 374 T CA -0.378 60.695 62.100 -1.712 0.000 0.914 374 T CB -0.314 67.798 68.868 -1.259 0.000 1.131 374 T HN -0.034 nan 8.240 nan 0.000 0.529 375 D N 2.050 121.806 120.400 -1.074 0.000 2.545 375 D HA 0.139 4.777 4.640 -0.004 0.000 0.227 375 D C -0.412 175.593 176.300 -0.491 0.000 1.150 375 D CA -0.617 52.923 54.000 -0.766 0.000 1.046 375 D CB -0.463 39.938 40.800 -0.664 0.000 1.098 375 D HN 0.514 nan 8.370 nan 0.000 0.502 376 W N 2.707 123.861 121.300 -0.243 0.000 2.417 376 W HA 0.159 4.816 4.660 -0.004 0.000 0.332 376 W C 0.487 176.914 176.519 -0.153 0.000 1.413 376 W CA -0.999 56.225 57.345 -0.203 0.000 1.299 376 W CB 0.519 29.853 29.460 -0.210 0.000 1.304 376 W HN 0.039 nan 8.180 nan 0.000 0.565 377 V N 5.773 125.765 119.914 0.131 0.000 2.313 377 V HA 0.158 4.275 4.120 -0.004 0.000 0.262 377 V C -0.457 175.664 176.094 0.044 0.000 1.011 377 V CA 0.135 62.462 62.300 0.044 0.000 0.858 377 V CB 0.316 32.132 31.823 -0.011 0.000 1.104 377 V HN 0.789 nan 8.190 nan 0.000 0.456 378 D N 1.886 122.306 120.400 0.034 0.000 2.714 378 D HA 0.086 4.724 4.640 -0.004 0.000 0.136 378 D C 1.083 177.377 176.300 -0.009 0.000 1.483 378 D CA 0.803 54.836 54.000 0.054 0.000 1.530 378 D CB 0.858 41.678 40.800 0.032 0.000 1.795 378 D HN 0.469 nan 8.370 nan 0.000 0.226 379 D N 0.361 120.743 120.400 -0.030 0.000 4.541 379 D HA -0.305 4.333 4.640 -0.004 0.000 0.246 379 D C -0.418 175.826 176.300 -0.092 0.000 0.855 379 D CA 2.820 56.783 54.000 -0.062 0.000 1.958 379 D CB -0.856 39.897 40.800 -0.079 0.000 1.116 379 D HN 0.365 nan 8.370 nan 0.000 0.413 380 Q N -0.211 119.484 119.800 -0.175 0.000 2.436 380 Q HA -0.161 4.177 4.340 -0.004 0.000 0.362 380 Q C -0.361 175.552 176.000 -0.145 0.000 1.423 380 Q CA 1.536 57.210 55.803 -0.214 0.000 1.014 380 Q CB -1.131 27.524 28.738 -0.137 0.000 1.177 380 Q HN 0.511 nan 8.270 nan 0.000 0.324 381 R N -0.426 119.984 120.500 -0.151 0.000 2.920 381 R HA -0.162 4.175 4.340 -0.004 0.000 0.282 381 R C -2.033 174.108 176.300 -0.266 0.000 0.954 381 R CA 0.381 56.355 56.100 -0.210 0.000 0.659 381 R CB -0.440 29.705 30.300 -0.258 0.000 1.559 381 R HN 0.342 nan 8.270 nan 0.000 0.443 382 P HA -0.178 nan 4.420 nan 0.000 0.222 382 P C 1.033 178.231 177.300 -0.170 0.000 1.147 382 P CA 1.102 64.112 63.100 -0.151 0.000 0.790 382 P CB 0.122 31.761 31.700 -0.101 0.000 0.780 383 E N -1.253 118.835 120.200 -0.185 0.000 2.489 383 E HA -0.025 4.323 4.350 -0.004 0.000 0.193 383 E C 1.005 177.473 176.600 -0.219 0.000 1.057 383 E CA 0.153 56.461 56.400 -0.154 0.000 0.866 383 E CB -0.849 28.800 29.700 -0.085 0.000 0.916 383 E HN 0.100 nan 8.360 nan 0.000 0.500 384 N N 1.441 119.861 118.700 -0.467 0.000 2.011 384 N HA -0.211 4.527 4.740 -0.004 0.000 0.199 384 N C 1.438 176.568 175.510 -0.632 0.000 1.047 384 N CA 1.680 54.159 53.050 -0.951 0.000 0.863 384 N CB -0.717 36.589 38.487 -1.968 0.000 1.056 384 N HN 0.296 nan 8.380 nan 0.000 0.427 385 Y N 1.085 121.232 120.300 -0.254 0.000 2.242 385 Y HA -0.019 4.529 4.550 -0.004 0.000 0.291 385 Y C 2.618 178.680 175.900 0.271 0.000 1.137 385 Y CA 1.025 59.178 58.100 0.089 0.000 1.181 385 Y CB -0.340 38.193 38.460 0.121 0.000 0.989 385 Y HN 0.080 nan 8.280 nan 0.000 0.527 386 R N 0.878 121.528 120.500 0.250 0.000 2.083 386 R HA -0.205 4.133 4.340 -0.004 0.000 0.237 386 R C 1.856 178.375 176.300 0.364 0.000 1.137 386 R CA 2.157 58.407 56.100 0.250 0.000 0.951 386 R CB -0.213 30.048 30.300 -0.064 0.000 0.851 386 R HN 0.429 nan 8.270 nan 0.000 0.434 387 E N -0.106 120.239 120.200 0.242 0.000 2.106 387 E HA -0.152 4.196 4.350 -0.004 0.000 0.192 387 E C 2.010 178.808 176.600 0.329 0.000 0.984 387 E CA 0.967 57.525 56.400 0.264 0.000 0.806 387 E CB -0.113 29.689 29.700 0.171 0.000 0.750 387 E HN 0.477 nan 8.360 nan 0.000 0.458 388 A N 1.565 124.616 122.820 0.386 0.000 1.908 388 A HA -0.187 4.131 4.320 -0.004 0.000 0.218 388 A C 2.196 180.090 177.584 0.516 0.000 1.181 388 A CA 1.139 53.470 52.037 0.489 0.000 0.627 388 A CB -0.546 18.749 19.000 0.492 0.000 0.818 388 A HN 0.197 nan 8.150 nan 0.000 0.445 389 L N 0.025 121.634 121.223 0.644 0.000 2.056 389 L HA 0.011 4.349 4.340 -0.004 0.000 0.207 389 L C 2.449 179.370 176.870 0.085 0.000 1.078 389 L CA 2.114 57.162 54.840 0.346 0.000 0.749 389 L CB -1.099 41.151 42.059 0.317 0.000 0.901 389 L HN 0.325 nan 8.230 nan 0.000 0.433 390 G N -1.027 107.876 108.800 0.172 0.000 2.446 390 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.217 390 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.217 390 G C 1.320 176.285 174.900 0.109 0.000 1.168 390 G CA 0.938 46.114 45.100 0.127 0.000 0.771 390 G HN 0.410 nan 8.290 nan 0.000 0.551 391 D N 0.175 120.678 120.400 0.172 0.000 2.117 391 D HA -0.084 4.554 4.640 -0.004 0.000 0.197 391 D C 2.825 179.161 176.300 0.059 0.000 0.987 391 D CA 0.815 54.937 54.000 0.204 0.000 0.829 391 D CB -0.482 40.536 40.800 0.364 0.000 0.961 391 D HN 0.177 nan 8.370 nan 0.000 0.460 392 V N 1.109 120.890 119.914 -0.221 0.000 2.250 392 V HA -0.259 3.858 4.120 -0.004 0.000 0.250 392 V C 2.731 178.762 176.094 -0.104 0.000 1.060 392 V CA 1.380 63.504 62.300 -0.294 0.000 1.030 392 V CB -0.613 31.074 31.823 -0.228 0.000 0.643 392 V HN 0.056 nan 8.190 nan 0.000 0.445 393 V N 0.580 120.394 119.914 -0.167 0.000 2.358 393 V HA -0.151 3.967 4.120 -0.004 0.000 0.246 393 V C 2.585 178.618 176.094 -0.100 0.000 1.047 393 V CA 2.158 64.296 62.300 -0.271 0.000 1.035 393 V CB -1.337 30.137 31.823 -0.582 0.000 0.658 393 V HN 0.626 nan 8.190 nan 0.000 0.452 394 G N -0.491 108.330 108.800 0.036 0.000 2.408 394 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.217 394 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.217 394 G C 1.223 176.219 174.900 0.160 0.000 1.150 394 G CA 0.895 46.110 45.100 0.191 0.000 0.776 394 G HN 0.496 nan 8.290 nan 0.000 0.542 395 D N -0.601 119.858 120.400 0.098 0.000 2.103 395 D HA -0.086 4.552 4.640 -0.004 0.000 0.199 395 D C 1.954 178.085 176.300 -0.283 0.000 0.978 395 D CA 0.694 54.745 54.000 0.086 0.000 0.829 395 D CB -0.352 40.688 40.800 0.400 0.000 0.981 395 D HN 0.337 nan 8.370 nan 0.000 0.464 396 Y N 1.779 121.555 120.300 -0.873 0.000 2.163 396 Y HA -0.071 4.476 4.550 -0.004 0.000 0.288 396 Y C 1.758 177.294 175.900 -0.607 0.000 1.136 396 Y CA 1.379 58.726 58.100 -1.255 0.000 1.147 396 Y CB -0.236 37.260 38.460 -1.607 0.000 0.987 396 Y HN -0.105 nan 8.280 nan 0.000 0.509 397 N N -1.210 117.141 118.700 -0.582 0.000 2.376 397 N HA -0.041 4.696 4.740 -0.004 0.000 0.177 397 N C 0.939 175.997 175.510 -0.754 0.000 1.024 397 N CA 1.418 54.019 53.050 -0.749 0.000 0.893 397 N CB -0.006 37.998 38.487 -0.805 0.000 0.980 397 N HN 0.392 nan 8.380 nan 0.000 0.439 398 F N -0.359 119.554 119.950 -0.062 0.000 2.421 398 F HA 0.343 4.867 4.527 -0.004 0.000 0.270 398 F C 2.004 177.828 175.800 0.040 0.000 0.894 398 F CA -0.395 57.634 58.000 0.048 0.000 1.128 398 F CB 0.041 39.101 39.000 0.100 0.000 1.011 398 F HN -0.210 nan 8.300 nan 0.000 0.788 399 I N -0.011 120.710 120.570 0.251 0.000 2.162 399 I HA -0.259 3.909 4.170 -0.004 0.000 0.238 399 I C 2.086 178.289 176.117 0.143 0.000 1.076 399 I CA 1.250 62.690 61.300 0.233 0.000 1.353 399 I CB -0.513 37.641 38.000 0.257 0.000 1.063 399 I HN 0.279 nan 8.210 nan 0.000 0.408 400 c N 0.923 119.580 118.600 0.095 0.000 2.425 400 c HA -0.051 4.516 4.570 -0.004 0.000 0.277 400 c C 0.227 174.336 174.090 0.032 0.000 1.280 400 c CA 0.720 57.104 56.329 0.093 0.000 1.744 400 c CB -1.971 40.647 42.510 0.181 0.000 1.989 400 c HN 0.367 nan 8.230 nan 0.000 0.491 401 P HA -0.040 nan 4.420 nan 0.000 0.217 401 P C 1.635 178.912 177.300 -0.038 0.000 1.150 401 P CA 2.217 65.255 63.100 -0.103 0.000 0.832 401 P CB -0.166 31.376 31.700 -0.263 0.000 0.787 402 A N -0.588 122.251 122.820 0.031 0.000 1.902 402 A HA -0.158 4.160 4.320 -0.004 0.000 0.217 402 A C 2.179 179.877 177.584 0.189 0.000 1.181 402 A CA 1.425 53.533 52.037 0.119 0.000 0.623 402 A CB -1.669 17.452 19.000 0.201 0.000 0.818 402 A HN 0.104 nan 8.150 nan 0.000 0.443 403 L N -0.770 120.495 121.223 0.070 0.000 2.046 403 L HA -0.201 4.137 4.340 -0.004 0.000 0.208 403 L C 2.662 179.508 176.870 -0.039 0.000 1.077 403 L CA 1.841 56.591 54.840 -0.149 0.000 0.747 403 L CB -0.466 41.482 42.059 -0.186 0.000 0.896 403 L HN 0.626 nan 8.230 nan 0.000 0.432 404 E N 0.193 120.408 120.200 0.026 0.000 2.051 404 E HA -0.294 4.053 4.350 -0.004 0.000 0.192 404 E C 2.193 178.810 176.600 0.027 0.000 0.991 404 E CA 1.469 57.894 56.400 0.043 0.000 0.799 404 E CB -0.192 29.533 29.700 0.041 0.000 0.748 404 E HN 0.372 nan 8.360 nan 0.000 0.449 405 F N 1.510 121.386 119.950 -0.123 0.000 2.095 405 F HA -0.210 4.315 4.527 -0.002 0.000 0.298 405 F C 2.280 178.032 175.800 -0.080 0.000 1.104 405 F CA 2.220 60.116 58.000 -0.174 0.000 1.232 405 F CB -0.596 38.217 39.000 -0.312 0.000 0.987 405 F HN -0.003 nan 8.300 nan 0.000 0.475 406 T N 0.560 115.106 114.554 -0.014 0.000 2.777 406 T HA -0.170 4.178 4.350 -0.004 0.000 0.266 406 T C 1.907 176.567 174.700 -0.068 0.000 1.040 406 T CA 1.611 63.619 62.100 -0.153 0.000 1.141 406 T CB -0.243 68.382 68.868 -0.406 0.000 0.868 406 T HN 0.249 nan 8.240 nan 0.000 0.444 407 K N 0.900 121.332 120.400 0.053 0.000 1.985 407 K HA -0.058 4.259 4.320 -0.004 0.000 0.210 407 K C 2.503 179.191 176.600 0.146 0.000 1.047 407 K CA 0.980 57.421 56.287 0.257 0.000 0.932 407 K CB -0.056 32.574 32.500 0.217 0.000 0.716 407 K HN 0.096 nan 8.250 nan 0.000 0.439 408 K N 0.384 120.823 120.400 0.064 0.000 2.097 408 K HA -0.137 4.181 4.320 -0.004 0.000 0.206 408 K C 2.040 178.732 176.600 0.153 0.000 1.049 408 K CA 1.192 57.540 56.287 0.103 0.000 0.933 408 K CB -0.417 32.121 32.500 0.064 0.000 0.717 408 K HN 0.137 nan 8.250 nan 0.000 0.442 409 F N 2.290 122.082 119.950 -0.263 0.000 2.113 409 F HA -0.232 4.293 4.527 -0.004 0.000 0.297 409 F C 2.539 178.403 175.800 0.108 0.000 1.103 409 F CA 1.860 59.666 58.000 -0.324 0.000 1.248 409 F CB -0.212 38.320 39.000 -0.781 0.000 0.999 409 F HN 0.076 nan 8.300 nan 0.000 0.475 410 S N -0.740 115.140 115.700 0.301 0.000 2.447 410 S HA -0.178 4.290 4.470 -0.004 0.000 0.233 410 S C 1.672 176.373 174.600 0.168 0.000 1.006 410 S CA 1.175 59.539 58.200 0.273 0.000 0.957 410 S CB -0.687 62.687 63.200 0.290 0.000 0.773 410 S HN 0.570 nan 8.310 nan 0.000 0.507 411 E N -0.015 120.266 120.200 0.134 0.000 2.333 411 E HA -0.064 4.283 4.350 -0.004 0.000 0.198 411 E C 0.344 176.797 176.600 -0.245 0.000 1.007 411 E CA 0.896 57.259 56.400 -0.062 0.000 0.845 411 E CB -0.127 29.503 29.700 -0.117 0.000 0.766 411 E HN 0.801 nan 8.360 nan 0.000 0.507 412 W N -0.240 121.071 121.300 0.019 0.000 3.400 412 W HA 0.269 4.930 4.660 0.002 0.000 0.347 412 W C 1.245 177.737 176.519 -0.045 0.000 1.218 412 W CA 0.507 57.825 57.345 -0.046 0.000 1.837 412 W CB 0.654 30.033 29.460 -0.136 0.000 1.067 412 W HN 0.108 nan 8.180 nan 0.000 0.701 413 G N 0.013 108.874 108.800 0.102 0.000 2.195 413 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.224 413 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.224 413 G C 0.143 175.108 174.900 0.109 0.000 0.990 413 G CA -0.419 44.726 45.100 0.075 0.000 0.639 413 G HN 0.303 nan 8.290 nan 0.000 0.514 414 N N 0.921 119.720 118.700 0.165 0.000 2.515 414 N HA 0.491 5.229 4.740 -0.004 0.000 0.279 414 N C -0.210 175.410 175.510 0.184 0.000 1.164 414 N CA -0.638 52.538 53.050 0.211 0.000 0.982 414 N CB 0.370 39.068 38.487 0.352 0.000 1.170 414 N HN 0.142 nan 8.380 nan 0.000 0.474 415 N N 0.856 119.635 118.700 0.133 0.000 2.468 415 N HA 0.291 5.028 4.740 -0.004 0.000 0.265 415 N C -1.020 174.450 175.510 -0.066 0.000 1.199 415 N CA 0.040 53.072 53.050 -0.029 0.000 0.928 415 N CB 0.621 39.117 38.487 0.016 0.000 1.059 415 N HN 0.541 nan 8.380 nan 0.000 0.467 416 A N 2.260 124.922 122.820 -0.264 0.000 2.401 416 A HA 0.804 5.121 4.320 -0.004 0.000 0.310 416 A C -1.278 175.996 177.584 -0.516 0.000 1.075 416 A CA -0.603 51.321 52.037 -0.187 0.000 0.746 416 A CB 0.803 19.823 19.000 0.034 0.000 1.277 416 A HN 0.493 nan 8.150 nan 0.000 0.425 417 F N 0.626 120.524 119.950 -0.087 0.000 2.529 417 F HA 0.608 5.134 4.527 -0.002 0.000 0.320 417 F C -0.674 175.198 175.800 0.122 0.000 1.118 417 F CA -0.419 57.476 58.000 -0.175 0.000 0.915 417 F CB 2.064 40.442 39.000 -1.037 0.000 1.161 417 F HN 0.541 nan 8.300 nan 0.000 0.445 418 F N 4.441 124.781 119.950 0.650 0.000 2.495 418 F HA 0.584 5.109 4.527 -0.004 0.000 0.327 418 F C -0.933 175.381 175.800 0.856 0.000 1.103 418 F CA -1.238 57.064 58.000 0.503 0.000 0.949 418 F CB 1.053 40.170 39.000 0.194 0.000 1.142 418 F HN 0.447 nan 8.300 nan 0.000 0.457 419 Y N 3.827 124.343 120.300 0.361 0.000 2.549 419 Y HA 0.659 5.207 4.550 -0.004 0.000 0.339 419 Y C -2.092 174.064 175.900 0.427 0.000 1.053 419 Y CA -1.724 56.609 58.100 0.388 0.000 1.105 419 Y CB 1.086 39.722 38.460 0.293 0.000 1.258 419 Y HN 0.563 nan 8.280 nan 0.000 0.478 420 Y N 3.924 124.566 120.300 0.570 0.000 2.363 420 Y HA 0.405 4.953 4.550 -0.003 0.000 0.325 420 Y C -1.842 174.353 175.900 0.492 0.000 0.984 420 Y CA -2.428 55.955 58.100 0.471 0.000 1.248 420 Y CB 0.757 39.500 38.460 0.472 0.000 1.116 420 Y HN 0.745 nan 8.280 nan 0.000 0.470 421 F N 6.944 126.998 119.950 0.175 0.000 2.421 421 F HA 0.290 4.814 4.527 -0.004 0.000 0.358 421 F C 0.611 176.284 175.800 -0.212 0.000 1.115 421 F CA -0.127 57.893 58.000 0.033 0.000 1.160 421 F CB 0.686 39.759 39.000 0.122 0.000 1.123 421 F HN 0.668 nan 8.300 nan 0.000 0.508 422 E N 3.459 123.276 120.200 -0.639 0.000 2.812 422 E HA 0.074 4.421 4.350 -0.004 0.000 0.211 422 E C -0.857 175.445 176.600 -0.496 0.000 0.986 422 E CA -0.443 55.669 56.400 -0.480 0.000 1.119 422 E CB -0.144 29.404 29.700 -0.254 0.000 1.046 422 E HN 0.631 nan 8.360 nan 0.000 0.474 423 H N 1.726 120.170 119.070 -1.044 0.000 2.488 423 H HA 0.326 4.880 4.556 -0.004 0.000 0.322 423 H C -0.770 174.296 175.328 -0.436 0.000 1.078 423 H CA -0.649 54.953 56.048 -0.744 0.000 1.260 423 H CB 1.049 30.266 29.762 -0.908 0.000 1.425 423 H HN 0.044 nan 8.280 nan 0.000 0.471 424 R N 4.300 124.302 120.500 -0.830 0.000 2.229 424 R HA 0.253 4.590 4.340 -0.004 0.000 0.328 424 R C -0.437 175.516 176.300 -0.578 0.000 1.009 424 R CA -0.510 55.296 56.100 -0.490 0.000 0.864 424 R CB 0.667 30.803 30.300 -0.273 0.000 1.085 424 R HN 0.688 nan 8.270 nan 0.000 0.453 425 S N 2.232 117.893 115.700 -0.064 0.000 2.563 425 S HA -0.078 4.390 4.470 -0.004 0.000 0.294 425 S C 1.405 176.072 174.600 0.112 0.000 1.279 425 S CA 0.313 58.679 58.200 0.277 0.000 1.069 425 S CB 0.577 64.053 63.200 0.460 0.000 0.828 425 S HN 0.795 nan 8.310 nan 0.000 0.497 426 S N 4.337 120.155 115.700 0.196 0.000 2.442 426 S HA -0.052 4.416 4.470 -0.004 0.000 0.236 426 S C 1.192 175.793 174.600 0.002 0.000 1.007 426 S CA 0.821 59.073 58.200 0.086 0.000 0.965 426 S CB -0.226 63.048 63.200 0.124 0.000 0.773 426 S HN 0.824 nan 8.310 nan 0.000 0.504 427 K N 0.446 120.833 120.400 -0.021 0.000 2.374 427 K HA 0.333 4.650 4.320 -0.004 0.000 0.196 427 K C 0.221 176.783 176.600 -0.063 0.000 1.023 427 K CA -0.322 55.901 56.287 -0.107 0.000 1.103 427 K CB 0.052 32.391 32.500 -0.269 0.000 0.848 427 K HN 0.325 nan 8.250 nan 0.000 0.528 428 L N 4.078 125.285 121.223 -0.027 0.000 2.640 428 L HA -0.030 4.307 4.340 -0.004 0.000 0.280 428 L C -1.350 175.475 176.870 -0.075 0.000 1.229 428 L CA -0.080 54.718 54.840 -0.070 0.000 0.919 428 L CB 0.673 42.673 42.059 -0.098 0.000 1.168 428 L HN 0.050 nan 8.230 nan 0.000 0.496 429 P HA -0.027 nan 4.420 nan 0.000 0.245 429 P C -0.228 177.044 177.300 -0.047 0.000 1.203 429 P CA 0.242 63.249 63.100 -0.155 0.000 0.792 429 P CB 0.201 31.670 31.700 -0.386 0.000 0.997 430 W N 2.986 124.278 121.300 -0.013 0.000 2.161 430 W HA 0.280 4.938 4.660 -0.003 0.000 0.344 430 W C -1.568 174.849 176.519 -0.169 0.000 1.262 430 W CA -1.925 55.391 57.345 -0.047 0.000 1.270 430 W CB -0.609 28.734 29.460 -0.195 0.000 1.126 430 W HN -0.110 nan 8.180 nan 0.000 0.598 431 P HA -0.023 nan 4.420 nan 0.000 0.272 431 P C 0.356 177.558 177.300 -0.164 0.000 1.240 431 P CA 0.170 63.222 63.100 -0.080 0.000 0.791 431 P CB 0.927 32.595 31.700 -0.053 0.000 0.978 432 E N 0.809 120.987 120.200 -0.036 0.000 2.160 432 E HA -0.144 4.203 4.350 -0.004 0.000 0.195 432 E C 1.823 178.440 176.600 0.028 0.000 0.991 432 E CA 1.392 57.790 56.400 -0.005 0.000 0.810 432 E CB -0.332 29.399 29.700 0.051 0.000 0.742 432 E HN 0.706 nan 8.360 nan 0.000 0.466 433 W N 0.127 121.463 121.300 0.059 0.000 2.421 433 W HA -0.074 4.583 4.660 -0.004 0.000 0.270 433 W C 1.417 177.985 176.519 0.081 0.000 1.233 433 W CA 0.378 57.766 57.345 0.071 0.000 1.226 433 W CB -0.689 28.823 29.460 0.086 0.000 1.121 433 W HN -0.030 nan 8.180 nan 0.000 0.579 434 M N 1.264 120.527 119.600 -0.561 0.000 2.492 434 M HA 0.141 4.619 4.480 -0.004 0.000 0.262 434 M C 1.773 177.944 176.300 -0.214 0.000 1.090 434 M CA 1.465 56.414 55.300 -0.586 0.000 1.110 434 M CB -0.611 31.462 32.600 -0.878 0.000 1.407 434 M HN 0.160 nan 8.290 nan 0.000 0.470 435 G N 0.616 109.343 108.800 -0.122 0.000 2.583 435 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.292 435 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.292 435 G C -0.160 174.690 174.900 -0.083 0.000 1.203 435 G CA -0.206 44.858 45.100 -0.059 0.000 0.987 435 G HN 0.206 nan 8.290 nan 0.000 0.554 436 V N 1.902 121.788 119.914 -0.046 0.000 2.299 436 V HA 0.451 4.569 4.120 -0.004 0.000 0.255 436 V C 0.998 177.122 176.094 0.050 0.000 1.100 436 V CA 0.295 62.588 62.300 -0.013 0.000 0.938 436 V CB 0.414 32.203 31.823 -0.056 0.000 1.139 436 V HN 0.512 nan 8.190 nan 0.000 0.490 437 M N 2.399 122.030 119.600 0.052 0.000 2.241 437 M HA 0.309 4.786 4.480 -0.004 0.000 0.335 437 M C 0.546 176.936 176.300 0.150 0.000 1.122 437 M CA -0.539 54.788 55.300 0.044 0.000 1.164 437 M CB 0.386 32.946 32.600 -0.067 0.000 1.459 437 M HN 0.640 nan 8.290 nan 0.000 0.461 438 H N 0.847 119.857 119.070 -0.101 0.000 3.167 438 H HA 0.099 4.652 4.556 -0.004 0.000 0.306 438 H C 1.024 176.236 175.328 -0.193 0.000 0.965 438 H CA 2.097 58.007 56.048 -0.231 0.000 1.408 438 H CB 0.109 29.610 29.762 -0.435 0.000 1.406 438 H HN 0.756 nan 8.280 nan 0.000 0.576 439 G N 3.446 111.888 108.800 -0.597 0.000 2.234 439 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.235 439 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.235 439 G C 0.563 175.269 174.900 -0.325 0.000 0.997 439 G CA 0.355 45.096 45.100 -0.600 0.000 0.623 439 G HN 0.639 nan 8.290 nan 0.000 0.514 440 Y N 1.508 121.843 120.300 0.059 0.000 2.532 440 Y HA 0.284 4.832 4.550 -0.004 0.000 0.283 440 Y C 2.208 178.170 175.900 0.102 0.000 1.181 440 Y CA 0.743 58.954 58.100 0.186 0.000 1.256 440 Y CB 0.500 39.100 38.460 0.234 0.000 1.112 440 Y HN 0.457 nan 8.280 nan 0.000 0.521 441 E N 0.220 120.305 120.200 -0.191 0.000 2.340 441 E HA -0.045 4.303 4.350 -0.004 0.000 0.194 441 E C 1.570 178.040 176.600 -0.216 0.000 0.996 441 E CA 0.620 56.571 56.400 -0.748 0.000 0.869 441 E CB -0.356 28.541 29.700 -1.338 0.000 0.835 441 E HN 0.540 nan 8.360 nan 0.000 0.493 442 I N 2.763 123.312 120.570 -0.035 0.000 2.163 442 I HA -0.315 3.853 4.170 -0.004 0.000 0.243 442 I C 2.720 178.878 176.117 0.069 0.000 1.085 442 I CA 2.179 63.527 61.300 0.080 0.000 1.347 442 I CB -0.507 37.605 38.000 0.187 0.000 1.044 442 I HN 0.225 nan 8.210 nan 0.000 0.408 443 E N 1.102 121.310 120.200 0.014 0.000 2.160 443 E HA -0.248 4.100 4.350 -0.004 0.000 0.195 443 E C 2.100 178.548 176.600 -0.254 0.000 0.991 443 E CA 1.526 57.853 56.400 -0.121 0.000 0.810 443 E CB -0.591 29.036 29.700 -0.121 0.000 0.742 443 E HN 0.426 nan 8.360 nan 0.000 0.466 444 F N 1.400 121.242 119.950 -0.180 0.000 2.146 444 F HA -0.100 4.424 4.527 -0.004 0.000 0.298 444 F C 2.492 178.091 175.800 -0.334 0.000 1.096 444 F CA 0.857 58.708 58.000 -0.248 0.000 1.275 444 F CB -0.416 38.489 39.000 -0.159 0.000 1.008 444 F HN -0.132 nan 8.300 nan 0.000 0.480 445 V N -0.900 118.876 119.914 -0.231 0.000 2.343 445 V HA -0.299 3.819 4.120 -0.004 0.000 0.247 445 V C 1.889 177.779 176.094 -0.340 0.000 1.051 445 V CA 1.712 63.728 62.300 -0.473 0.000 1.036 445 V CB -0.711 30.838 31.823 -0.456 0.000 0.654 445 V HN 0.217 nan 8.190 nan 0.000 0.451 446 F N 0.344 120.155 119.950 -0.232 0.000 2.811 446 F HA 0.363 4.888 4.527 -0.003 0.000 0.301 446 F C 1.828 177.547 175.800 -0.135 0.000 1.151 446 F CA 0.836 58.737 58.000 -0.165 0.000 1.412 446 F CB -0.096 38.773 39.000 -0.218 0.000 1.113 446 F HN 0.287 nan 8.300 nan 0.000 0.579 447 G N 0.188 108.906 108.800 -0.136 0.000 2.136 447 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.242 447 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.242 447 G C 1.089 175.643 174.900 -0.577 0.000 0.989 447 G CA 0.355 45.305 45.100 -0.249 0.000 0.682 447 G HN 0.356 nan 8.290 nan 0.000 0.522 448 L N -0.514 120.328 121.223 -0.634 0.000 2.083 448 L HA -0.042 4.295 4.340 -0.004 0.000 0.209 448 L C -0.068 176.339 176.870 -0.770 0.000 1.083 448 L CA 1.837 56.205 54.840 -0.788 0.000 0.752 448 L CB -1.410 40.364 42.059 -0.475 0.000 0.899 448 L HN 0.179 nan 8.230 nan 0.000 0.433 449 P HA -0.071 nan 4.420 nan 0.000 0.237 449 P C 1.757 178.765 177.300 -0.488 0.000 1.178 449 P CA 0.853 63.313 63.100 -1.065 0.000 0.766 449 P CB 0.076 30.998 31.700 -1.297 0.000 0.876 450 L N -1.004 119.958 121.223 -0.435 0.000 2.291 450 L HA -0.044 4.294 4.340 -0.004 0.000 0.214 450 L C 1.188 177.875 176.870 -0.305 0.000 1.120 450 L CA 0.563 55.191 54.840 -0.354 0.000 0.799 450 L CB -0.701 41.183 42.059 -0.292 0.000 0.925 450 L HN -0.024 nan 8.230 nan 0.000 0.446 451 E N 0.884 121.015 120.200 -0.115 0.000 2.104 451 E HA 0.018 4.366 4.350 -0.004 0.000 0.278 451 E C 1.041 177.662 176.600 0.035 0.000 1.127 451 E CA 0.118 56.585 56.400 0.112 0.000 0.897 451 E CB 0.519 30.271 29.700 0.087 0.000 1.043 451 E HN 0.072 nan 8.360 nan 0.000 0.410 452 R N 3.339 123.844 120.500 0.008 0.000 2.152 452 R HA -0.045 4.293 4.340 -0.004 0.000 0.232 452 R C 1.292 177.612 176.300 0.033 0.000 1.117 452 R CA 0.837 56.938 56.100 0.002 0.000 0.981 452 R CB 0.057 30.340 30.300 -0.028 0.000 0.870 452 R HN 0.430 nan 8.270 nan 0.000 0.451 453 R N 0.529 121.063 120.500 0.057 0.000 2.341 453 R HA -0.099 4.239 4.340 -0.004 0.000 0.213 453 R C 0.454 176.770 176.300 0.025 0.000 1.082 453 R CA 0.891 57.017 56.100 0.042 0.000 1.017 453 R CB -0.138 30.197 30.300 0.059 0.000 0.860 453 R HN 0.218 nan 8.270 nan 0.000 0.473 454 D N -0.132 120.294 120.400 0.043 0.000 2.369 454 D HA 0.011 4.648 4.640 -0.004 0.000 0.211 454 D C 0.146 176.394 176.300 -0.086 0.000 1.077 454 D CA 0.018 54.029 54.000 0.018 0.000 0.842 454 D CB 0.388 41.270 40.800 0.138 0.000 0.947 454 D HN -0.081 nan 8.370 nan 0.000 0.509 455 Q N -1.532 118.240 119.800 -0.046 0.000 2.460 455 Q HA -0.247 4.091 4.340 -0.004 0.000 0.248 455 Q C -0.805 175.124 176.000 -0.118 0.000 0.847 455 Q CA 0.415 56.166 55.803 -0.086 0.000 1.214 455 Q CB -1.989 26.674 28.738 -0.125 0.000 1.523 455 Q HN 0.455 nan 8.270 nan 0.000 0.602 456 Y N 0.276 120.547 120.300 -0.048 0.000 2.357 456 Y HA 0.179 4.727 4.550 -0.004 0.000 0.340 456 Y C 1.701 177.594 175.900 -0.012 0.000 1.260 456 Y CA 0.514 58.596 58.100 -0.030 0.000 1.425 456 Y CB 0.540 38.949 38.460 -0.086 0.000 1.326 456 Y HN 0.156 nan 8.280 nan 0.000 0.580 457 T N -1.472 113.202 114.554 0.201 0.000 2.766 457 T HA 0.096 4.444 4.350 -0.004 0.000 0.295 457 T C 1.091 175.836 174.700 0.074 0.000 1.024 457 T CA -0.743 61.424 62.100 0.111 0.000 1.018 457 T CB 0.951 69.885 68.868 0.109 0.000 1.002 457 T HN 0.671 nan 8.240 nan 0.000 0.532 458 K N 0.934 121.354 120.400 0.032 0.000 2.097 458 K HA 0.037 4.354 4.320 -0.004 0.000 0.206 458 K C 2.409 179.003 176.600 -0.010 0.000 1.049 458 K CA 1.583 57.870 56.287 0.001 0.000 0.933 458 K CB -1.067 31.428 32.500 -0.007 0.000 0.717 458 K HN 0.749 nan 8.250 nan 0.000 0.442 459 A N 0.662 123.482 122.820 0.000 0.000 1.972 459 A HA -0.177 4.140 4.320 -0.004 0.000 0.219 459 A C 1.887 179.441 177.584 -0.049 0.000 1.169 459 A CA 1.790 53.810 52.037 -0.028 0.000 0.635 459 A CB -0.449 18.535 19.000 -0.025 0.000 0.810 459 A HN 0.506 nan 8.150 nan 0.000 0.446 460 E N -0.727 119.480 120.200 0.012 0.000 2.072 460 E HA -0.171 4.176 4.350 -0.004 0.000 0.190 460 E C 2.043 178.634 176.600 -0.016 0.000 0.982 460 E CA 0.899 57.347 56.400 0.080 0.000 0.803 460 E CB -0.154 29.706 29.700 0.267 0.000 0.755 460 E HN 0.794 nan 8.360 nan 0.000 0.453 461 E N 1.050 121.205 120.200 -0.074 0.000 2.070 461 E HA -0.242 4.105 4.350 -0.004 0.000 0.197 461 E C 2.070 178.606 176.600 -0.108 0.000 1.004 461 E CA 1.251 57.569 56.400 -0.138 0.000 0.805 461 E CB -0.085 29.544 29.700 -0.118 0.000 0.744 461 E HN 0.219 nan 8.360 nan 0.000 0.451 462 I N 0.601 121.127 120.570 -0.074 0.000 2.179 462 I HA -0.259 3.909 4.170 -0.004 0.000 0.242 462 I C 2.575 178.658 176.117 -0.056 0.000 1.088 462 I CA 0.540 61.802 61.300 -0.063 0.000 1.357 462 I CB -0.275 37.693 38.000 -0.053 0.000 1.051 462 I HN 0.234 nan 8.210 nan 0.000 0.409 463 L N 0.121 121.311 121.223 -0.055 0.000 2.017 463 L HA -0.213 4.125 4.340 -0.004 0.000 0.208 463 L C 2.630 179.506 176.870 0.010 0.000 1.073 463 L CA 2.028 56.838 54.840 -0.051 0.000 0.745 463 L CB -0.767 41.209 42.059 -0.138 0.000 0.894 463 L HN 0.188 nan 8.230 nan 0.000 0.432 464 S N -0.894 114.840 115.700 0.057 0.000 2.368 464 S HA -0.254 4.214 4.470 -0.004 0.000 0.225 464 S C 2.262 176.810 174.600 -0.086 0.000 1.030 464 S CA 1.406 59.602 58.200 -0.007 0.000 0.999 464 S CB -0.366 62.716 63.200 -0.196 0.000 0.844 464 S HN 0.524 nan 8.310 nan 0.000 0.459 465 R N 1.192 121.640 120.500 -0.087 0.000 2.091 465 R HA 0.007 4.344 4.340 -0.004 0.000 0.238 465 R C 2.572 178.851 176.300 -0.035 0.000 1.136 465 R CA 2.144 58.201 56.100 -0.072 0.000 0.959 465 R CB -1.221 29.034 30.300 -0.075 0.000 0.856 465 R HN 0.409 nan 8.270 nan 0.000 0.437 466 S N -0.452 115.233 115.700 -0.025 0.000 2.356 466 S HA -0.062 4.406 4.470 -0.004 0.000 0.223 466 S C 1.938 176.556 174.600 0.030 0.000 1.032 466 S CA 1.435 59.641 58.200 0.011 0.000 1.005 466 S CB -0.280 62.922 63.200 0.004 0.000 0.867 466 S HN 0.394 nan 8.310 nan 0.000 0.449 467 I N 1.101 121.648 120.570 -0.038 0.000 2.163 467 I HA -0.161 4.007 4.170 -0.004 0.000 0.243 467 I C 2.325 178.369 176.117 -0.122 0.000 1.085 467 I CA 1.123 62.338 61.300 -0.142 0.000 1.347 467 I CB -0.490 37.278 38.000 -0.386 0.000 1.044 467 I HN 0.203 nan 8.210 nan 0.000 0.408 468 V N 0.991 120.826 119.914 -0.131 0.000 2.332 468 V HA -0.311 3.807 4.120 -0.004 0.000 0.248 468 V C 2.543 178.666 176.094 0.048 0.000 1.055 468 V CA 2.072 64.324 62.300 -0.082 0.000 1.038 468 V CB -0.634 31.140 31.823 -0.081 0.000 0.651 468 V HN 0.374 nan 8.190 nan 0.000 0.450 469 K N 0.633 121.073 120.400 0.066 0.000 2.057 469 K HA -0.150 4.168 4.320 -0.004 0.000 0.207 469 K C 2.205 178.909 176.600 0.173 0.000 1.049 469 K CA 1.607 57.956 56.287 0.103 0.000 0.931 469 K CB -0.364 32.188 32.500 0.088 0.000 0.714 469 K HN 0.377 nan 8.250 nan 0.000 0.440 470 R N -1.130 119.522 120.500 0.253 0.000 2.075 470 R HA -0.080 4.257 4.340 -0.004 0.000 0.232 470 R C 2.424 178.949 176.300 0.375 0.000 1.126 470 R CA 1.614 57.922 56.100 0.347 0.000 0.963 470 R CB -0.448 30.164 30.300 0.520 0.000 0.858 470 R HN 0.378 nan 8.270 nan 0.000 0.435 471 W N 0.615 121.929 121.300 0.024 0.000 2.355 471 W HA -0.154 4.504 4.660 -0.003 0.000 0.309 471 W C 2.417 178.910 176.519 -0.042 0.000 1.206 471 W CA 0.747 58.080 57.345 -0.021 0.000 1.284 471 W CB -0.157 29.238 29.460 -0.109 0.000 1.145 471 W HN 0.236 nan 8.180 nan 0.000 0.502 472 A N 0.692 123.602 122.820 0.150 0.000 1.877 472 A HA -0.237 4.080 4.320 -0.004 0.000 0.216 472 A C 1.701 179.247 177.584 -0.063 0.000 1.186 472 A CA 1.941 53.981 52.037 0.004 0.000 0.620 472 A CB -1.065 17.939 19.000 0.006 0.000 0.822 472 A HN 0.236 nan 8.150 nan 0.000 0.443 473 N N -1.087 117.633 118.700 0.033 0.000 2.166 473 N HA -0.119 4.618 4.740 -0.004 0.000 0.186 473 N C 1.352 176.849 175.510 -0.022 0.000 1.019 473 N CA 1.349 54.431 53.050 0.053 0.000 0.856 473 N CB -0.582 38.025 38.487 0.200 0.000 0.993 473 N HN 0.545 nan 8.380 nan 0.000 0.426 474 F N 1.529 121.386 119.950 -0.155 0.000 2.102 474 F HA -0.082 4.442 4.527 -0.005 0.000 0.298 474 F C 2.147 177.826 175.800 -0.202 0.000 1.105 474 F CA 1.404 59.261 58.000 -0.238 0.000 1.239 474 F CB -0.474 38.298 39.000 -0.379 0.000 0.991 474 F HN 0.032 nan 8.300 nan 0.000 0.474 475 A N 0.368 123.051 122.820 -0.229 0.000 1.877 475 A HA -0.211 4.107 4.320 -0.004 0.000 0.216 475 A C 2.230 179.586 177.584 -0.379 0.000 1.186 475 A CA 2.058 53.915 52.037 -0.300 0.000 0.620 475 A CB -0.689 18.202 19.000 -0.183 0.000 0.822 475 A HN 0.484 nan 8.150 nan 0.000 0.443 476 K N -2.010 118.098 120.400 -0.487 0.000 2.062 476 K HA -0.050 4.268 4.320 -0.004 0.000 0.205 476 K C 1.101 177.309 176.600 -0.654 0.000 1.051 476 K CA 1.672 57.517 56.287 -0.736 0.000 0.941 476 K CB -0.174 31.519 32.500 -1.345 0.000 0.719 476 K HN 0.739 nan 8.250 nan 0.000 0.440 477 Y N -1.514 118.697 120.300 -0.148 0.000 2.527 477 Y HA 0.255 4.803 4.550 -0.004 0.000 0.247 477 Y C 1.043 176.840 175.900 -0.171 0.000 1.138 477 Y CA -0.245 57.782 58.100 -0.121 0.000 1.228 477 Y CB 1.543 39.964 38.460 -0.066 0.000 1.252 477 Y HN 0.144 nan 8.280 nan 0.000 0.531 478 G N 1.701 110.343 108.800 -0.265 0.000 2.160 478 G HA2 -0.304 3.653 3.960 -0.004 0.000 0.251 478 G HA3 -0.304 3.653 3.960 -0.004 0.000 0.251 478 G C -0.417 174.417 174.900 -0.110 0.000 1.008 478 G CA 0.325 45.191 45.100 -0.390 0.000 0.724 478 G HN 0.343 nan 8.290 nan 0.000 0.514 479 N N -0.266 118.377 118.700 -0.095 0.000 2.599 479 N HA 0.389 5.127 4.740 -0.004 0.000 0.283 479 N C -2.841 172.537 175.510 -0.220 0.000 1.160 479 N CA -1.560 51.377 53.050 -0.188 0.000 0.869 479 N CB 2.303 40.790 38.487 -0.000 0.000 1.448 479 N HN -0.026 nan 8.380 nan 0.000 0.535 480 P HA 0.130 nan 4.420 nan 0.000 0.220 480 P C -0.612 176.718 177.300 0.050 0.000 1.778 480 P CA -0.127 62.822 63.100 -0.251 0.000 0.912 480 P CB 0.097 31.366 31.700 -0.718 0.000 1.861 481 Q N 0.631 120.473 119.800 0.070 0.000 2.221 481 Q HA 0.306 4.643 4.340 -0.004 0.000 0.242 481 Q C 0.156 176.254 176.000 0.163 0.000 0.940 481 Q CA -0.211 55.683 55.803 0.152 0.000 0.896 481 Q CB 1.571 30.377 28.738 0.113 0.000 1.226 481 Q HN 0.200 nan 8.270 nan 0.000 0.463 482 E N 1.540 121.834 120.200 0.157 0.000 2.141 482 E HA 0.158 4.506 4.350 -0.004 0.000 0.259 482 E C -0.076 176.581 176.600 0.094 0.000 0.883 482 E CA -0.236 56.237 56.400 0.121 0.000 0.744 482 E CB 0.897 30.664 29.700 0.112 0.000 1.150 482 E HN 0.696 nan 8.360 nan 0.000 0.420 483 T N 0.815 115.416 114.554 0.079 0.000 3.060 483 T HA 0.102 4.450 4.350 -0.004 0.000 0.249 483 T C 1.079 175.807 174.700 0.046 0.000 1.079 483 T CA 0.342 62.478 62.100 0.060 0.000 1.013 483 T CB 0.247 69.141 68.868 0.045 0.000 0.975 483 T HN 0.346 nan 8.240 nan 0.000 0.518 484 Q N 0.525 120.352 119.800 0.044 0.000 2.378 484 Q HA 0.272 4.610 4.340 -0.004 0.000 0.229 484 Q C 0.428 176.444 176.000 0.028 0.000 0.882 484 Q CA 0.132 55.955 55.803 0.033 0.000 0.936 484 Q CB 0.449 29.206 28.738 0.031 0.000 1.092 484 Q HN 0.317 nan 8.270 nan 0.000 0.535 485 N N 1.258 119.976 118.700 0.031 0.000 2.458 485 N HA 0.092 4.830 4.740 -0.004 0.000 0.274 485 N C -1.087 174.438 175.510 0.024 0.000 1.242 485 N CA -0.000 53.064 53.050 0.023 0.000 0.904 485 N CB 0.878 39.376 38.487 0.018 0.000 1.206 485 N HN 0.079 nan 8.380 nan 0.000 0.510 486 Q N -0.868 118.949 119.800 0.028 0.000 2.439 486 Q HA -0.179 4.159 4.340 -0.004 0.000 0.325 486 Q C -0.605 175.414 176.000 0.032 0.000 1.372 486 Q CA 0.576 56.396 55.803 0.029 0.000 0.909 486 Q CB -1.948 26.803 28.738 0.022 0.000 1.167 486 Q HN 0.192 nan 8.270 nan 0.000 0.418 487 S N -0.102 115.624 115.700 0.043 0.000 2.632 487 S HA 0.346 4.814 4.470 -0.004 0.000 0.271 487 S C 0.509 175.144 174.600 0.058 0.000 1.260 487 S CA -0.766 57.462 58.200 0.047 0.000 1.010 487 S CB 1.194 64.431 63.200 0.061 0.000 0.965 487 S HN 0.313 nan 8.310 nan 0.000 0.534 488 T N 3.123 117.708 114.554 0.051 0.000 2.908 488 T HA 0.057 4.405 4.350 -0.004 0.000 0.301 488 T C 0.353 175.119 174.700 0.111 0.000 1.019 488 T CA 0.153 62.289 62.100 0.061 0.000 1.152 488 T CB 0.093 68.978 68.868 0.029 0.000 0.966 488 T HN 0.482 nan 8.240 nan 0.000 0.540 489 S N 2.802 118.583 115.700 0.135 0.000 2.548 489 S HA 0.126 4.594 4.470 -0.004 0.000 0.277 489 S C -0.255 174.528 174.600 0.306 0.000 1.315 489 S CA -0.728 57.595 58.200 0.205 0.000 1.050 489 S CB 0.267 63.573 63.200 0.178 0.000 0.918 489 S HN 0.644 nan 8.310 nan 0.000 0.497 490 W N 7.204 128.601 121.300 0.163 0.000 2.387 490 W HA 0.344 5.001 4.660 -0.005 0.000 0.310 490 W C -2.657 174.073 176.519 0.352 0.000 1.181 490 W CA -2.919 54.570 57.345 0.240 0.000 1.333 490 W CB 0.081 29.665 29.460 0.207 0.000 1.286 490 W HN 0.397 nan 8.180 nan 0.000 0.455 491 P HA 0.095 nan 4.420 nan 0.000 0.276 491 P C -0.456 177.147 177.300 0.504 0.000 1.244 491 P CA -0.222 63.174 63.100 0.494 0.000 0.801 491 P CB 1.697 33.587 31.700 0.316 0.000 1.006 492 V N 2.820 122.865 119.914 0.218 0.000 2.763 492 V HA -0.067 4.051 4.120 -0.004 0.000 0.306 492 V C 0.599 176.748 176.094 0.091 0.000 1.059 492 V CA 0.332 62.559 62.300 -0.121 0.000 1.138 492 V CB -0.703 31.016 31.823 -0.174 0.000 0.940 492 V HN 0.441 nan 8.190 nan 0.000 0.489 493 F N 6.211 126.125 119.950 -0.060 0.000 2.424 493 F HA 0.508 5.034 4.527 -0.001 0.000 0.356 493 F C 0.286 176.092 175.800 0.010 0.000 1.110 493 F CA -0.288 57.750 58.000 0.064 0.000 1.161 493 F CB 0.394 39.483 39.000 0.148 0.000 1.115 493 F HN 0.412 nan 8.300 nan 0.000 0.507 494 K N 3.329 123.604 120.400 -0.208 0.000 2.385 494 K HA 0.279 4.597 4.320 -0.004 0.000 0.248 494 K C 0.600 177.033 176.600 -0.278 0.000 0.955 494 K CA -0.830 55.390 56.287 -0.112 0.000 0.816 494 K CB 1.976 34.425 32.500 -0.085 0.000 1.250 494 K HN 0.524 nan 8.250 nan 0.000 0.434 495 S N 0.322 115.973 115.700 -0.081 0.000 2.399 495 S HA -0.094 4.373 4.470 -0.004 0.000 0.231 495 S C 0.635 175.162 174.600 -0.121 0.000 1.022 495 S CA 1.499 59.663 58.200 -0.061 0.000 0.983 495 S CB -0.146 63.057 63.200 0.005 0.000 0.803 495 S HN 0.751 nan 8.310 nan 0.000 0.480 496 T N -0.529 113.955 114.554 -0.117 0.000 2.749 496 T HA 0.596 4.943 4.350 -0.004 0.000 0.295 496 T C 0.219 174.831 174.700 -0.146 0.000 0.936 496 T CA -0.125 61.913 62.100 -0.103 0.000 1.060 496 T CB 1.398 70.224 68.868 -0.070 0.000 0.904 496 T HN 0.423 nan 8.240 nan 0.000 0.500 497 E N 1.636 121.751 120.200 -0.143 0.000 3.975 497 E HA -0.254 4.094 4.350 -0.004 0.000 0.144 497 E C -0.040 176.428 176.600 -0.219 0.000 0.880 497 E CA 0.893 57.208 56.400 -0.142 0.000 2.812 497 E CB -1.482 28.148 29.700 -0.118 0.000 1.450 497 E HN 0.945 nan 8.360 nan 0.000 0.664 498 Q N 0.684 120.204 119.800 -0.466 0.000 2.460 498 Q HA -0.212 4.126 4.340 -0.004 0.000 0.311 498 Q C -1.081 174.728 176.000 -0.318 0.000 1.396 498 Q CA 1.300 56.576 55.803 -0.878 0.000 0.838 498 Q CB -1.307 27.099 28.738 -0.554 0.000 1.140 498 Q HN 0.273 nan 8.270 nan 0.000 0.415 499 K N 1.057 121.369 120.400 -0.147 0.000 2.382 499 K HA 0.309 4.627 4.320 -0.004 0.000 0.275 499 K C -0.116 176.769 176.600 0.474 0.000 1.009 499 K CA 0.209 56.574 56.287 0.130 0.000 0.970 499 K CB 0.311 32.878 32.500 0.112 0.000 0.934 499 K HN 0.276 nan 8.250 nan 0.000 0.479 500 Y N -0.501 119.995 120.300 0.327 0.000 2.615 500 Y HA 0.629 5.176 4.550 -0.005 0.000 0.341 500 Y C -1.541 174.520 175.900 0.269 0.000 1.089 500 Y CA -1.760 56.630 58.100 0.483 0.000 1.049 500 Y CB 0.812 39.604 38.460 0.553 0.000 1.296 500 Y HN 0.315 nan 8.280 nan 0.000 0.470 501 L N 2.852 124.215 121.223 0.233 0.000 2.313 501 L HA 0.647 4.985 4.340 -0.004 0.000 0.283 501 L C -0.103 176.806 176.870 0.065 0.000 1.013 501 L CA -0.249 54.484 54.840 -0.178 0.000 0.816 501 L CB 1.609 43.092 42.059 -0.960 0.000 1.236 501 L HN 0.967 nan 8.230 nan 0.000 0.419 502 T N 3.312 117.902 114.554 0.059 0.000 2.889 502 T HA 0.607 4.955 4.350 -0.004 0.000 0.291 502 T C -0.214 174.512 174.700 0.044 0.000 0.995 502 T CA -0.625 61.593 62.100 0.197 0.000 1.092 502 T CB 0.671 69.663 68.868 0.208 0.000 0.954 502 T HN 0.520 nan 8.240 nan 0.000 0.506 503 L N 3.890 125.140 121.223 0.045 0.000 2.343 503 L HA 0.601 4.939 4.340 -0.004 0.000 0.278 503 L C -0.402 176.330 176.870 -0.230 0.000 0.996 503 L CA -0.802 53.997 54.840 -0.069 0.000 0.831 503 L CB 1.052 43.131 42.059 0.033 0.000 1.232 503 L HN 1.011 nan 8.230 nan 0.000 0.413 504 N N -0.887 117.689 118.700 -0.207 0.000 3.116 504 N HA 0.221 4.958 4.740 -0.004 0.000 0.244 504 N C 0.269 175.656 175.510 -0.204 0.000 1.485 504 N CA -0.314 52.593 53.050 -0.239 0.000 0.884 504 N CB 0.888 39.291 38.487 -0.140 0.000 1.415 504 N HN 0.271 nan 8.380 nan 0.000 0.524 505 T N -3.263 111.169 114.554 -0.204 0.000 3.023 505 T HA 0.083 4.430 4.350 -0.004 0.000 0.266 505 T C 0.573 175.222 174.700 -0.085 0.000 1.093 505 T CA 1.202 63.196 62.100 -0.176 0.000 1.129 505 T CB -0.292 68.461 68.868 -0.191 0.000 0.899 505 T HN 0.560 nan 8.240 nan 0.000 0.491 506 E N 2.440 122.606 120.200 -0.056 0.000 2.035 506 E HA 0.172 4.520 4.350 -0.004 0.000 0.191 506 E C 0.754 177.336 176.600 -0.030 0.000 0.966 506 E CA 0.767 57.149 56.400 -0.031 0.000 0.823 506 E CB 0.139 29.831 29.700 -0.013 0.000 0.791 506 E HN 0.579 nan 8.360 nan 0.000 0.459 507 S N -0.021 115.662 115.700 -0.028 0.000 2.720 507 S HA 0.321 4.789 4.470 -0.004 0.000 0.278 507 S C -0.663 173.922 174.600 -0.026 0.000 1.172 507 S CA -0.951 57.236 58.200 -0.022 0.000 1.019 507 S CB 1.372 64.565 63.200 -0.011 0.000 1.049 507 S HN -0.041 nan 8.310 nan 0.000 0.483 508 T N 5.522 120.056 114.554 -0.033 0.000 2.793 508 T HA 0.239 4.587 4.350 -0.004 0.000 0.289 508 T C 0.023 174.701 174.700 -0.037 0.000 0.956 508 T CA 0.064 62.139 62.100 -0.042 0.000 1.177 508 T CB -0.198 68.643 68.868 -0.045 0.000 0.897 508 T HN 0.448 nan 8.240 nan 0.000 0.533 509 R N 2.787 123.260 120.500 -0.044 0.000 2.637 509 R HA 0.453 4.790 4.340 -0.004 0.000 0.291 509 R C -0.441 175.795 176.300 -0.106 0.000 0.963 509 R CA -0.992 55.074 56.100 -0.056 0.000 0.901 509 R CB 1.526 31.800 30.300 -0.044 0.000 1.160 509 R HN 0.443 nan 8.270 nan 0.000 0.457 510 I N 4.217 124.729 120.570 -0.097 0.000 2.337 510 I HA 0.319 4.487 4.170 -0.004 0.000 0.291 510 I C 0.606 176.594 176.117 -0.215 0.000 1.046 510 I CA 0.082 61.304 61.300 -0.129 0.000 1.324 510 I CB 0.313 38.294 38.000 -0.032 0.000 1.409 510 I HN 0.438 nan 8.210 nan 0.000 0.494 511 M N 5.025 124.345 119.600 -0.466 0.000 2.755 511 M HA 0.553 5.030 4.480 -0.004 0.000 0.298 511 M C -0.227 175.795 176.300 -0.463 0.000 1.251 511 M CA -0.690 54.299 55.300 -0.518 0.000 0.817 511 M CB 2.808 35.022 32.600 -0.644 0.000 1.760 511 M HN 0.590 nan 8.290 nan 0.000 0.473 512 T N -2.185 112.310 114.554 -0.099 0.000 2.900 512 T HA 0.537 4.884 4.350 -0.004 0.000 0.295 512 T C -0.763 174.095 174.700 0.263 0.000 1.044 512 T CA -1.010 61.160 62.100 0.116 0.000 0.995 512 T CB 1.654 70.534 68.868 0.020 0.000 1.072 512 T HN 0.728 nan 8.240 nan 0.000 0.473 513 K N 0.662 121.188 120.400 0.209 0.000 3.393 513 K HA -0.149 4.169 4.320 -0.004 0.000 0.272 513 K C -0.231 176.410 176.600 0.067 0.000 1.004 513 K CA -0.179 56.160 56.287 0.088 0.000 0.764 513 K CB -1.494 31.031 32.500 0.042 0.000 1.373 513 K HN 0.639 nan 8.250 nan 0.000 0.458 514 L N 1.765 122.953 121.223 -0.057 0.000 2.601 514 L HA -0.035 4.303 4.340 -0.004 0.000 0.277 514 L C 0.816 177.604 176.870 -0.135 0.000 1.219 514 L CA 0.829 55.491 54.840 -0.296 0.000 0.915 514 L CB 0.110 41.655 42.059 -0.857 0.000 1.160 514 L HN 0.394 nan 8.230 nan 0.000 0.494 515 R N 2.778 123.240 120.500 -0.063 0.000 3.516 515 R HA -0.287 4.050 4.340 -0.004 0.000 0.271 515 R C 1.246 177.582 176.300 0.061 0.000 1.098 515 R CA 0.788 56.908 56.100 0.034 0.000 0.732 515 R CB -2.492 27.862 30.300 0.090 0.000 1.152 515 R HN 0.896 nan 8.270 nan 0.000 0.455 516 A N 0.737 123.580 122.820 0.039 0.000 1.873 516 A HA -0.275 4.042 4.320 -0.004 0.000 0.218 516 A C 2.157 179.780 177.584 0.065 0.000 1.193 516 A CA 1.831 53.897 52.037 0.048 0.000 0.629 516 A CB -0.293 18.728 19.000 0.035 0.000 0.826 516 A HN 0.567 nan 8.150 nan 0.000 0.447 517 Q N -1.324 118.504 119.800 0.047 0.000 2.050 517 Q HA -0.249 4.088 4.340 -0.004 0.000 0.202 517 Q C 2.411 178.445 176.000 0.056 0.000 0.980 517 Q CA 1.874 57.698 55.803 0.036 0.000 0.840 517 Q CB -0.164 28.567 28.738 -0.012 0.000 0.898 517 Q HN 0.794 nan 8.270 nan 0.000 0.424 518 Q N -0.472 119.369 119.800 0.067 0.000 2.050 518 Q HA -0.157 4.180 4.340 -0.004 0.000 0.202 518 Q C 2.172 178.377 176.000 0.341 0.000 0.980 518 Q CA 1.694 57.582 55.803 0.142 0.000 0.840 518 Q CB -0.267 28.626 28.738 0.258 0.000 0.898 518 Q HN 0.375 nan 8.270 nan 0.000 0.424 519 c N 0.065 118.851 118.600 0.311 0.000 2.446 519 c HA -0.008 4.559 4.570 -0.004 0.000 0.279 519 c C 2.392 176.633 174.090 0.252 0.000 1.366 519 c CA 0.172 56.704 56.329 0.339 0.000 1.763 519 c CB -0.749 41.897 42.510 0.226 0.000 1.929 519 c HN 0.445 nan 8.230 nan 0.000 0.509 520 R N 0.061 120.668 120.500 0.178 0.000 2.091 520 R HA -0.171 4.167 4.340 -0.004 0.000 0.238 520 R C 2.059 178.449 176.300 0.149 0.000 1.136 520 R CA 1.836 58.021 56.100 0.142 0.000 0.959 520 R CB -0.578 29.788 30.300 0.110 0.000 0.856 520 R HN 0.611 nan 8.270 nan 0.000 0.437 521 F N 0.002 119.934 119.950 -0.030 0.000 2.075 521 F HA -0.234 4.290 4.527 -0.004 0.000 0.297 521 F C 1.688 177.459 175.800 -0.048 0.000 1.113 521 F CA 1.542 59.438 58.000 -0.173 0.000 1.218 521 F CB -0.487 38.207 39.000 -0.511 0.000 0.984 521 F HN 0.002 nan 8.300 nan 0.000 0.472 522 W N 0.173 121.502 121.300 0.049 0.000 2.381 522 W HA -0.117 4.540 4.660 -0.005 0.000 0.301 522 W C 2.593 179.132 176.519 0.034 0.000 1.205 522 W CA 1.586 58.927 57.345 -0.007 0.000 1.285 522 W CB -0.917 28.665 29.460 0.204 0.000 1.133 522 W HN -0.112 nan 8.180 nan 0.000 0.521 523 T N -1.094 113.627 114.554 0.278 0.000 2.852 523 T HA -0.083 4.265 4.350 -0.004 0.000 0.256 523 T C 1.826 176.597 174.700 0.117 0.000 1.038 523 T CA 1.619 63.834 62.100 0.191 0.000 1.141 523 T CB -0.360 68.609 68.868 0.169 0.000 0.869 523 T HN -0.058 nan 8.240 nan 0.000 0.439 524 S N 0.631 116.393 115.700 0.103 0.000 2.387 524 S HA 0.168 4.636 4.470 -0.004 0.000 0.221 524 S C 1.550 176.200 174.600 0.084 0.000 1.041 524 S CA 0.355 58.609 58.200 0.090 0.000 0.959 524 S CB -0.189 63.073 63.200 0.103 0.000 0.843 524 S HN 0.487 nan 8.310 nan 0.000 0.488 525 F N 1.144 121.034 119.950 -0.100 0.000 2.222 525 F HA 0.281 4.805 4.527 -0.005 0.000 0.285 525 F C 1.738 177.432 175.800 -0.177 0.000 1.068 525 F CA 0.376 58.283 58.000 -0.154 0.000 1.265 525 F CB -0.691 38.173 39.000 -0.226 0.000 1.087 525 F HN 0.167 nan 8.300 nan 0.000 0.511 526 F N 2.140 121.531 119.950 -0.931 0.000 2.250 526 F HA 0.012 4.536 4.527 -0.004 0.000 0.301 526 F C -1.056 174.470 175.800 -0.456 0.000 1.077 526 F CA 0.988 58.423 58.000 -0.943 0.000 1.348 526 F CB -1.540 37.072 39.000 -0.646 0.000 1.040 526 F HN -0.003 nan 8.300 nan 0.000 0.509 527 P HA -0.181 nan 4.420 nan 0.000 0.221 527 P C 0.955 178.104 177.300 -0.252 0.000 1.145 527 P CA 1.781 64.809 63.100 -0.120 0.000 0.795 527 P CB -0.065 31.623 31.700 -0.020 0.000 0.775 528 K N -0.733 119.444 120.400 -0.372 0.000 2.103 528 K HA 0.009 4.326 4.320 -0.004 0.000 0.204 528 K C 1.196 177.561 176.600 -0.392 0.000 1.052 528 K CA 0.815 56.911 56.287 -0.318 0.000 0.945 528 K CB -0.398 31.947 32.500 -0.258 0.000 0.722 528 K HN 0.148 nan 8.250 nan 0.000 0.443 529 V N 0.000 119.485 119.914 -0.714 0.000 2.409 529 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 529 V CA 0.000 61.895 62.300 -0.676 0.000 1.235 529 V CB 0.000 31.431 31.823 -0.653 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556