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 1r9j_1_B DATA FIRST_RESID -1 DATA SEQUENCE RHMASIEKVA NCIRCLAADI VQGGKSGHPG TPMGMAPMSA VLWTEVMKYN DATA SEQUENCE SQDPDWVDRD RFVMSNGHGC ALQYALLHMA GYNLTMDDLK GFRQDGSRTP DATA SEQUENCE GHPERFVTPG VEVTTGPLGQ GIANAVGLAI AEAHLAATFN RPGYNIVDHY DATA SEQUENCE TYVYCGDGCL MEGVCQEALS LAGHLALEKL IVIYDSNYIS IDGSTSLSFT DATA SEQUENCE EQCHQKYVAM GFHVIEVKNG DTDYEGLRKA LAEAKATKGK PKMIVQTTTI DATA SEQUENCE GFGSSKQGTE KVHGAPLGEE DIANIKAKFG RDPQKKYDVD DDVRAVFRMH DATA SEQUENCE IDKCSAEQKA WEELLAKYTA AFPAEGAAFV AQMRGELPSG WEAKLPTNSS DATA SEQUENCE AIATRKASEN CLAVLFPAIP ALMGGSADLT PSNLTRPASA NLVDFSSSSK DATA SEQUENCE EGRYIRFGVR EHAMCAILNG LDAHDGIIPF GGTFLNFIGY ALGAVRLAAI DATA SEQUENCE SHHRVIYVAT HDSIGVGEDG PTHQPVELVA ALRAMPNLQV IRPSDQTETS DATA SEQUENCE GAWAVALSSI HTPTVLCLSR QNTEPQSGSS IEGVRHGAYS VVDVPDLQLV DATA SEQUENCE IVASGSEVSL AVDAAKALSG ELRVRVVSMP CQELFDAQPD TYRQAVLPAG DATA SEQUENCE VPVVSVEAYV SFGWEKYSHA HVGMSGFGAS APAGVLYKKF GITVEEVVRT DATA SEQUENCE GRELAKRFPD GTAPLKNSSF S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 R HA 0.000 nan 4.340 nan 0.000 0.208 -1 R C 0.000 176.346 176.300 0.076 0.000 0.893 -1 R CA 0.000 56.132 56.100 0.053 0.000 0.921 -1 R CB 0.000 30.329 30.300 0.048 0.000 0.687 0 H N 2.656 121.731 119.070 0.007 0.000 2.848 0 H HA 0.170 4.718 4.556 -0.014 0.000 0.341 0 H C -0.688 174.644 175.328 0.006 0.000 1.060 0 H CA 0.387 56.438 56.048 0.005 0.000 1.444 0 H CB 0.691 30.456 29.762 0.005 0.000 1.446 0 H HN 0.015 nan 8.280 nan 0.000 0.583 1 M N 4.208 123.468 119.600 -0.566 0.000 2.101 1 M HA 0.254 4.726 4.480 -0.013 0.000 0.340 1 M C 0.250 176.199 176.300 -0.586 0.000 1.057 1 M CA -0.679 54.361 55.300 -0.434 0.000 0.984 1 M CB 1.132 33.604 32.600 -0.212 0.000 1.560 1 M HN 0.588 nan 8.290 nan 0.000 0.435 2 A N 3.220 125.815 122.820 -0.376 0.000 2.483 2 A HA 0.366 4.678 4.320 -0.013 0.000 0.238 2 A C 0.738 178.214 177.584 -0.180 0.000 1.070 2 A CA -0.179 51.720 52.037 -0.230 0.000 0.770 2 A CB 0.044 18.984 19.000 -0.099 0.000 1.008 2 A HN 0.898 nan 8.150 nan 0.000 0.497 3 S N 1.335 116.954 115.700 -0.134 0.000 2.593 3 S HA 0.206 4.668 4.470 -0.013 0.000 0.269 3 S C 1.057 175.526 174.600 -0.218 0.000 1.334 3 S CA 0.053 58.160 58.200 -0.154 0.000 1.015 3 S CB 0.414 63.541 63.200 -0.121 0.000 0.912 3 S HN 0.892 nan 8.310 nan 0.000 0.541 4 I N 1.060 121.447 120.570 -0.305 0.000 2.423 4 I HA -0.163 3.999 4.170 -0.013 0.000 0.254 4 I C 2.386 178.165 176.117 -0.563 0.000 1.151 4 I CA 1.710 62.752 61.300 -0.429 0.000 1.421 4 I CB -0.608 37.061 38.000 -0.551 0.000 1.079 4 I HN 0.989 nan 8.210 nan 0.000 0.431 5 E N 0.171 120.031 120.200 -0.568 0.000 2.107 5 E HA -0.277 4.065 4.350 -0.013 0.000 0.191 5 E C 2.268 178.755 176.600 -0.188 0.000 0.982 5 E CA 0.957 57.121 56.400 -0.393 0.000 0.809 5 E CB -0.114 29.455 29.700 -0.217 0.000 0.756 5 E HN 0.503 nan 8.360 nan 0.000 0.459 6 K N 0.321 120.633 120.400 -0.147 0.000 2.057 6 K HA -0.114 4.198 4.320 -0.013 0.000 0.207 6 K C 2.042 178.603 176.600 -0.066 0.000 1.049 6 K CA 1.235 57.475 56.287 -0.078 0.000 0.931 6 K CB 0.078 32.553 32.500 -0.041 0.000 0.714 6 K HN 0.013 nan 8.250 nan 0.000 0.440 7 V N 1.352 121.218 119.914 -0.079 0.000 2.295 7 V HA -0.261 3.851 4.120 -0.013 0.000 0.246 7 V C 2.465 178.552 176.094 -0.012 0.000 1.049 7 V CA 2.029 64.320 62.300 -0.015 0.000 1.024 7 V CB -0.776 31.018 31.823 -0.049 0.000 0.648 7 V HN 0.508 nan 8.190 nan 0.000 0.447 8 A N 0.429 123.218 122.820 -0.053 0.000 1.883 8 A HA -0.241 4.071 4.320 -0.013 0.000 0.217 8 A C 2.062 179.586 177.584 -0.100 0.000 1.186 8 A CA 2.125 54.149 52.037 -0.023 0.000 0.624 8 A CB -0.692 18.358 19.000 0.082 0.000 0.822 8 A HN 0.594 nan 8.150 nan 0.000 0.444 9 N N -0.538 118.046 118.700 -0.194 0.000 2.244 9 N HA -0.133 4.599 4.740 -0.013 0.000 0.183 9 N C 1.738 177.174 175.510 -0.124 0.000 1.016 9 N CA 1.329 54.164 53.050 -0.359 0.000 0.866 9 N CB -0.937 37.256 38.487 -0.490 0.000 0.980 9 N HN 0.590 nan 8.380 nan 0.000 0.430 10 C N 0.829 120.100 119.300 -0.049 0.000 2.446 10 C HA 0.066 4.518 4.460 -0.013 0.000 0.277 10 C C 2.650 177.638 174.990 -0.003 0.000 1.275 10 C CA 0.121 59.142 59.018 0.004 0.000 1.727 10 C CB -1.089 26.669 27.740 0.029 0.000 2.010 10 C HN 0.336 nan 8.230 nan 0.000 0.486 11 I N 0.439 121.002 120.570 -0.011 0.000 2.179 11 I HA -0.190 3.972 4.170 -0.013 0.000 0.242 11 I C 2.883 178.981 176.117 -0.032 0.000 1.088 11 I CA 1.604 62.888 61.300 -0.028 0.000 1.357 11 I CB -0.631 37.353 38.000 -0.026 0.000 1.051 11 I HN 0.334 nan 8.210 nan 0.000 0.409 12 R N 0.086 120.574 120.500 -0.021 0.000 2.094 12 R HA -0.221 4.111 4.340 -0.013 0.000 0.239 12 R C 2.427 178.754 176.300 0.045 0.000 1.137 12 R CA 2.072 58.188 56.100 0.027 0.000 0.943 12 R CB -0.842 29.499 30.300 0.068 0.000 0.850 12 R HN 0.439 nan 8.270 nan 0.000 0.433 13 C N 0.375 119.712 119.300 0.063 0.000 2.440 13 C HA -0.049 4.403 4.460 -0.013 0.000 0.278 13 C C 2.568 177.527 174.990 -0.052 0.000 1.295 13 C CA 0.077 59.120 59.018 0.041 0.000 1.738 13 C CB -0.875 26.912 27.740 0.079 0.000 1.987 13 C HN 0.428 nan 8.230 nan 0.000 0.492 14 L N 1.935 123.125 121.223 -0.055 0.000 2.046 14 L HA -0.015 4.317 4.340 -0.013 0.000 0.208 14 L C 2.602 179.390 176.870 -0.136 0.000 1.077 14 L CA 2.268 57.050 54.840 -0.096 0.000 0.747 14 L CB -1.066 40.965 42.059 -0.047 0.000 0.896 14 L HN 0.269 nan 8.230 nan 0.000 0.432 15 A N -0.478 122.275 122.820 -0.112 0.000 1.883 15 A HA -0.170 4.142 4.320 -0.013 0.000 0.217 15 A C 2.464 179.955 177.584 -0.154 0.000 1.186 15 A CA 2.070 54.022 52.037 -0.142 0.000 0.624 15 A CB -1.222 17.715 19.000 -0.104 0.000 0.822 15 A HN 0.567 nan 8.150 nan 0.000 0.444 16 A N -0.168 122.588 122.820 -0.108 0.000 1.902 16 A HA -0.198 4.114 4.320 -0.013 0.000 0.217 16 A C 1.803 179.289 177.584 -0.163 0.000 1.181 16 A CA 1.949 53.925 52.037 -0.100 0.000 0.623 16 A CB -0.616 18.352 19.000 -0.054 0.000 0.818 16 A HN 0.464 nan 8.150 nan 0.000 0.443 17 D N -0.069 120.178 120.400 -0.255 0.000 2.144 17 D HA -0.094 4.538 4.640 -0.013 0.000 0.199 17 D C 1.876 177.923 176.300 -0.422 0.000 0.984 17 D CA 0.973 54.699 54.000 -0.457 0.000 0.834 17 D CB -0.306 40.022 40.800 -0.787 0.000 0.955 17 D HN 0.532 nan 8.370 nan 0.000 0.465 18 I N 0.384 120.779 120.570 -0.293 0.000 2.142 18 I HA -0.250 3.912 4.170 -0.013 0.000 0.240 18 I C 2.429 178.444 176.117 -0.171 0.000 1.078 18 I CA 0.747 61.940 61.300 -0.178 0.000 1.343 18 I CB -0.263 37.531 38.000 -0.344 0.000 1.046 18 I HN -0.105 nan 8.210 nan 0.000 0.405 19 V N 0.336 120.119 119.914 -0.219 0.000 2.343 19 V HA -0.313 3.799 4.120 -0.013 0.000 0.247 19 V C 2.445 178.592 176.094 0.088 0.000 1.051 19 V CA 1.978 64.278 62.300 -0.001 0.000 1.036 19 V CB -0.686 31.128 31.823 -0.015 0.000 0.654 19 V HN 0.432 nan 8.190 nan 0.000 0.451 20 Q N 0.925 120.725 119.800 -0.000 0.000 2.084 20 Q HA -0.108 4.224 4.340 -0.013 0.000 0.202 20 Q C 2.204 178.246 176.000 0.071 0.000 0.978 20 Q CA 2.123 57.932 55.803 0.011 0.000 0.844 20 Q CB -1.013 27.695 28.738 -0.050 0.000 0.898 20 Q HN 0.570 nan 8.270 nan 0.000 0.426 21 G N -1.096 107.773 108.800 0.115 0.000 2.448 21 G HA2 -0.160 3.792 3.960 -0.013 0.000 0.219 21 G HA3 -0.160 3.792 3.960 -0.013 0.000 0.219 21 G C 1.206 176.223 174.900 0.196 0.000 1.127 21 G CA 0.636 45.865 45.100 0.215 0.000 0.766 21 G HN 0.517 nan 8.290 nan 0.000 0.552 22 G N -0.318 108.633 108.800 0.251 0.000 2.939 22 G HA2 0.187 4.139 3.960 -0.013 0.000 0.210 22 G HA3 0.187 4.139 3.960 -0.013 0.000 0.210 22 G C 0.858 175.831 174.900 0.122 0.000 1.160 22 G CA 0.313 45.552 45.100 0.230 0.000 0.770 22 G HN 0.433 nan 8.290 nan 0.000 0.543 23 K N -0.905 119.559 120.400 0.107 0.000 3.020 23 K HA -0.202 4.110 4.320 -0.013 0.000 0.266 23 K C 0.042 176.667 176.600 0.041 0.000 1.067 23 K CA 0.793 57.114 56.287 0.057 0.000 0.780 23 K CB -1.769 30.754 32.500 0.038 0.000 1.220 23 K HN 0.413 nan 8.250 nan 0.000 0.483 24 S N -1.712 114.029 115.700 0.068 0.000 2.580 24 S HA 0.676 5.138 4.470 -0.013 0.000 0.281 24 S C -0.704 173.955 174.600 0.098 0.000 1.129 24 S CA 0.229 58.445 58.200 0.026 0.000 0.862 24 S CB 1.951 65.141 63.200 -0.016 0.000 1.090 24 S HN 0.978 nan 8.310 nan 0.000 0.451 25 G N 2.458 111.255 108.800 -0.006 0.000 2.347 25 G HA2 0.281 4.233 3.960 -0.013 0.000 0.341 25 G HA3 0.281 4.233 3.960 -0.013 0.000 0.341 25 G C -2.202 172.572 174.900 -0.211 0.000 1.287 25 G CA -0.812 44.343 45.100 0.092 0.000 0.984 25 G HN 1.018 nan 8.290 nan 0.000 0.526 26 H N 1.178 120.284 119.070 0.059 0.000 2.718 26 H HA 0.513 5.061 4.556 -0.014 0.000 0.295 26 H C -1.568 173.738 175.328 -0.038 0.000 1.051 26 H CA -1.432 54.592 56.048 -0.040 0.000 1.260 26 H CB 2.076 31.805 29.762 -0.056 0.000 1.403 26 H HN 0.341 nan 8.280 nan 0.000 0.488 27 P HA -0.020 nan 4.420 nan 0.000 0.222 27 P C 1.581 178.904 177.300 0.038 0.000 1.157 27 P CA 0.746 63.854 63.100 0.014 0.000 0.816 27 P CB 0.467 32.166 31.700 -0.001 0.000 0.813 28 G N 1.074 109.913 108.800 0.065 0.000 2.739 28 G HA2 -0.301 3.651 3.960 -0.013 0.000 0.216 28 G HA3 -0.301 3.651 3.960 -0.013 0.000 0.216 28 G C 1.597 176.550 174.900 0.088 0.000 1.298 28 G CA 2.234 47.392 45.100 0.096 0.000 0.804 28 G HN 0.165 nan 8.290 nan 0.000 0.623 29 T N 2.340 116.948 114.554 0.090 0.000 2.699 29 T HA -0.086 4.256 4.350 -0.013 0.000 0.268 29 T C 0.312 175.010 174.700 -0.003 0.000 1.036 29 T CA 1.879 64.003 62.100 0.041 0.000 1.147 29 T CB -0.935 67.937 68.868 0.006 0.000 0.862 29 T HN 0.238 nan 8.240 nan 0.000 0.446 30 P HA -0.036 nan 4.420 nan 0.000 0.216 30 P C 1.564 178.860 177.300 -0.008 0.000 1.153 30 P CA 1.249 64.330 63.100 -0.031 0.000 0.858 30 P CB -0.126 31.537 31.700 -0.062 0.000 0.789 31 M N -1.857 117.759 119.600 0.026 0.000 2.200 31 M HA -0.009 4.463 4.480 -0.013 0.000 0.265 31 M C 2.230 178.574 176.300 0.073 0.000 1.066 31 M CA 1.910 57.252 55.300 0.071 0.000 1.127 31 M CB -1.153 31.521 32.600 0.123 0.000 1.379 31 M HN -0.008 nan 8.290 nan 0.000 0.420 32 G N 0.109 108.939 108.800 0.050 0.000 2.421 32 G HA2 -0.109 3.843 3.960 -0.013 0.000 0.217 32 G HA3 -0.109 3.843 3.960 -0.013 0.000 0.217 32 G C 1.409 176.260 174.900 -0.082 0.000 1.143 32 G CA 0.286 45.389 45.100 0.006 0.000 0.784 32 G HN 0.370 nan 8.290 nan 0.000 0.541 33 M N 0.930 120.479 119.600 -0.085 0.000 2.494 33 M HA 0.312 4.784 4.480 -0.013 0.000 0.232 33 M C 2.535 178.786 176.300 -0.081 0.000 1.137 33 M CA 0.069 55.283 55.300 -0.145 0.000 1.012 33 M CB 0.549 33.024 32.600 -0.208 0.000 1.567 33 M HN 0.278 nan 8.290 nan 0.000 0.486 34 A N 1.742 124.531 122.820 -0.052 0.000 1.883 34 A HA -0.068 4.244 4.320 -0.013 0.000 0.217 34 A C -0.447 177.131 177.584 -0.009 0.000 1.186 34 A CA 1.475 53.496 52.037 -0.028 0.000 0.624 34 A CB -1.682 17.303 19.000 -0.025 0.000 0.822 34 A HN 0.288 nan 8.150 nan 0.000 0.444 35 P HA -0.186 nan 4.420 nan 0.000 0.214 35 P C 1.778 179.093 177.300 0.024 0.000 1.163 35 P CA 1.649 64.753 63.100 0.007 0.000 0.883 35 P CB -0.176 31.350 31.700 -0.290 0.000 0.788 36 M N -0.326 119.240 119.600 -0.057 0.000 2.117 36 M HA -0.121 4.351 4.480 -0.013 0.000 0.262 36 M C 1.899 178.264 176.300 0.109 0.000 1.065 36 M CA 1.913 57.205 55.300 -0.014 0.000 1.114 36 M CB -1.365 31.175 32.600 -0.099 0.000 1.361 36 M HN -0.260 nan 8.290 nan 0.000 0.408 37 S N 0.636 116.423 115.700 0.145 0.000 2.368 37 S HA -0.059 4.403 4.470 -0.013 0.000 0.225 37 S C 2.078 176.769 174.600 0.152 0.000 1.030 37 S CA 1.213 59.553 58.200 0.232 0.000 0.999 37 S CB -0.872 62.377 63.200 0.082 0.000 0.844 37 S HN 0.711 nan 8.310 nan 0.000 0.459 38 A N 1.294 124.161 122.820 0.078 0.000 1.883 38 A HA -0.074 4.238 4.320 -0.013 0.000 0.217 38 A C 2.369 179.932 177.584 -0.034 0.000 1.186 38 A CA 1.742 53.788 52.037 0.016 0.000 0.624 38 A CB -1.002 18.013 19.000 0.025 0.000 0.822 38 A HN 0.343 nan 8.150 nan 0.000 0.444 39 V N -0.300 119.629 119.914 0.025 0.000 2.261 39 V HA -0.222 3.890 4.120 -0.013 0.000 0.246 39 V C 2.496 178.556 176.094 -0.057 0.000 1.047 39 V CA 1.938 64.228 62.300 -0.017 0.000 1.015 39 V CB -0.890 30.956 31.823 0.038 0.000 0.642 39 V HN 0.584 nan 8.190 nan 0.000 0.446 40 L N -0.664 120.567 121.223 0.015 0.000 2.012 40 L HA -0.157 4.175 4.340 -0.013 0.000 0.210 40 L C 2.014 178.819 176.870 -0.109 0.000 1.073 40 L CA 2.190 56.996 54.840 -0.056 0.000 0.748 40 L CB -0.713 41.376 42.059 0.050 0.000 0.891 40 L HN 0.428 nan 8.230 nan 0.000 0.431 41 W N -0.773 120.397 121.300 -0.217 0.000 2.658 41 W HA 0.070 4.722 4.660 -0.013 0.000 0.263 41 W C 2.349 178.641 176.519 -0.377 0.000 1.274 41 W CA 1.356 58.609 57.345 -0.153 0.000 1.343 41 W CB -0.686 28.758 29.460 -0.026 0.000 1.106 41 W HN 0.385 nan 8.180 nan 0.000 0.615 42 T N -4.434 109.856 114.554 -0.440 0.000 3.054 42 T HA 0.224 4.566 4.350 -0.013 0.000 0.255 42 T C 1.122 175.366 174.700 -0.760 0.000 1.035 42 T CA 0.399 62.053 62.100 -0.743 0.000 0.941 42 T CB 0.203 68.626 68.868 -0.742 0.000 1.026 42 T HN 0.104 nan 8.240 nan 0.000 0.533 43 E N -0.332 119.496 120.200 -0.620 0.000 2.576 43 E HA 0.239 4.581 4.350 -0.013 0.000 0.214 43 E C 1.150 177.684 176.600 -0.110 0.000 0.859 43 E CA 0.139 56.363 56.400 -0.294 0.000 1.399 43 E CB 1.228 30.836 29.700 -0.153 0.000 1.374 43 E HN 0.268 nan 8.360 nan 0.000 0.718 44 V N 0.611 120.440 119.914 -0.142 0.000 2.948 44 V HA 0.193 4.305 4.120 -0.013 0.000 0.234 44 V C 0.874 176.986 176.094 0.029 0.000 1.205 44 V CA 0.037 62.316 62.300 -0.035 0.000 1.234 44 V CB 0.319 32.081 31.823 -0.100 0.000 1.020 44 V HN 0.169 nan 8.190 nan 0.000 0.491 45 M N 2.139 121.693 119.600 -0.075 0.000 2.248 45 M HA 0.129 4.601 4.480 -0.013 0.000 0.345 45 M C 0.117 176.616 176.300 0.331 0.000 1.243 45 M CA 0.496 55.803 55.300 0.011 0.000 1.090 45 M CB 0.297 32.694 32.600 -0.338 0.000 1.683 45 M HN 0.100 nan 8.290 nan 0.000 0.450 46 K N 6.443 127.007 120.400 0.273 0.000 2.267 46 K HA 0.272 4.584 4.320 -0.013 0.000 0.282 46 K C -2.023 174.712 176.600 0.225 0.000 1.078 46 K CA -0.142 56.261 56.287 0.193 0.000 0.903 46 K CB 0.354 32.931 32.500 0.127 0.000 1.111 46 K HN 0.718 nan 8.250 nan 0.000 0.475 47 Y N 0.311 120.673 120.300 0.104 0.000 2.641 47 Y HA 0.394 4.936 4.550 -0.014 0.000 0.333 47 Y C -1.602 174.414 175.900 0.193 0.000 1.174 47 Y CA -1.408 56.777 58.100 0.142 0.000 1.057 47 Y CB 0.990 39.463 38.460 0.021 0.000 1.322 47 Y HN 0.353 nan 8.280 nan 0.000 0.457 48 N N 0.986 119.824 118.700 0.231 0.000 2.524 48 N HA 0.193 4.925 4.740 -0.013 0.000 0.261 48 N C 0.216 175.659 175.510 -0.112 0.000 0.998 48 N CA -0.003 53.031 53.050 -0.027 0.000 0.915 48 N CB 1.830 40.291 38.487 -0.043 0.000 1.187 48 N HN 0.844 nan 8.380 nan 0.000 0.507 49 S N 2.579 118.105 115.700 -0.290 0.000 2.469 49 S HA -0.108 4.354 4.470 -0.013 0.000 0.238 49 S C 0.959 175.286 174.600 -0.456 0.000 0.998 49 S CA 0.783 58.518 58.200 -0.775 0.000 0.957 49 S CB 0.010 62.917 63.200 -0.488 0.000 0.764 49 S HN 0.547 nan 8.310 nan 0.000 0.514 50 Q N 0.722 120.388 119.800 -0.223 0.000 2.392 50 Q HA 0.286 4.618 4.340 -0.013 0.000 0.203 50 Q C -0.352 175.606 176.000 -0.069 0.000 0.917 50 Q CA 0.425 56.155 55.803 -0.123 0.000 0.939 50 Q CB 0.085 28.762 28.738 -0.101 0.000 1.063 50 Q HN 0.618 nan 8.270 nan 0.000 0.516 51 D N -0.400 119.969 120.400 -0.053 0.000 2.472 51 D HA 0.212 4.844 4.640 -0.013 0.000 0.248 51 D C -2.259 174.112 176.300 0.119 0.000 1.271 51 D CA -1.706 52.312 54.000 0.031 0.000 0.888 51 D CB 1.275 42.079 40.800 0.007 0.000 1.337 51 D HN -0.205 nan 8.370 nan 0.000 0.526 52 P HA 0.011 nan 4.420 nan 0.000 0.225 52 P C 0.348 177.751 177.300 0.171 0.000 1.148 52 P CA 0.722 63.971 63.100 0.249 0.000 0.779 52 P CB 0.386 32.276 31.700 0.318 0.000 0.780 53 D N -2.864 117.622 120.400 0.144 0.000 2.349 53 D HA -0.023 4.609 4.640 -0.013 0.000 0.214 53 D C 0.198 176.570 176.300 0.120 0.000 1.063 53 D CA -0.150 53.913 54.000 0.104 0.000 0.847 53 D CB -0.262 40.597 40.800 0.100 0.000 0.933 53 D HN 0.193 nan 8.370 nan 0.000 0.513 54 W N 3.544 124.794 121.300 -0.085 0.000 2.607 54 W HA -0.028 4.623 4.660 -0.014 0.000 0.336 54 W C 1.458 177.806 176.519 -0.286 0.000 1.439 54 W CA -0.893 56.348 57.345 -0.173 0.000 1.346 54 W CB 0.244 29.594 29.460 -0.183 0.000 1.425 54 W HN -0.180 nan 8.180 nan 0.000 0.565 55 V N 2.844 122.671 119.914 -0.146 0.000 2.867 55 V HA -0.197 3.915 4.120 -0.013 0.000 0.260 55 V C 1.182 176.864 176.094 -0.687 0.000 1.099 55 V CA 2.414 64.504 62.300 -0.350 0.000 1.122 55 V CB -0.470 31.294 31.823 -0.099 0.000 0.708 55 V HN 0.597 nan 8.190 nan 0.000 0.490 56 D N 0.384 119.998 120.400 -1.310 0.000 2.424 56 D HA 0.142 4.774 4.640 -0.013 0.000 0.220 56 D C 0.995 176.363 176.300 -1.553 0.000 1.150 56 D CA -0.413 52.847 54.000 -1.233 0.000 0.831 56 D CB 0.048 40.095 40.800 -1.255 0.000 0.981 56 D HN 0.782 nan 8.370 nan 0.000 0.500 57 R N -0.015 119.497 120.500 -1.646 0.000 2.641 57 R HA 0.243 4.575 4.340 -0.013 0.000 0.269 57 R C -0.398 175.481 176.300 -0.702 0.000 1.074 57 R CA -0.439 54.966 56.100 -1.158 0.000 1.133 57 R CB 0.507 30.445 30.300 -0.604 0.000 1.029 57 R HN -0.135 nan 8.270 nan 0.000 0.488 58 D N 1.289 121.518 120.400 -0.285 0.000 2.372 58 D HA 0.114 4.746 4.640 -0.013 0.000 0.243 58 D C -0.241 176.032 176.300 -0.044 0.000 1.121 58 D CA 0.027 54.022 54.000 -0.009 0.000 0.898 58 D CB 0.768 41.723 40.800 0.259 0.000 1.202 58 D HN 0.270 nan 8.370 nan 0.000 0.428 59 R N 0.751 121.270 120.500 0.033 0.000 2.368 59 R HA 0.481 4.813 4.340 -0.013 0.000 0.302 59 R C -0.852 175.529 176.300 0.134 0.000 1.002 59 R CA -0.619 55.494 56.100 0.021 0.000 0.929 59 R CB 0.542 30.848 30.300 0.011 0.000 1.073 59 R HN 0.336 nan 8.270 nan 0.000 0.464 60 F N 2.696 122.600 119.950 -0.077 0.000 2.529 60 F HA 0.672 5.191 4.527 -0.014 0.000 0.320 60 F C -1.273 174.482 175.800 -0.075 0.000 1.118 60 F CA -0.807 57.141 58.000 -0.088 0.000 0.915 60 F CB 1.454 40.302 39.000 -0.253 0.000 1.161 60 F HN 0.188 nan 8.300 nan 0.000 0.445 61 V N 7.316 126.698 119.914 -0.886 0.000 2.686 61 V HA 0.357 4.469 4.120 -0.013 0.000 0.306 61 V C -0.653 174.949 176.094 -0.821 0.000 1.065 61 V CA -0.782 61.144 62.300 -0.623 0.000 0.894 61 V CB 1.972 33.630 31.823 -0.276 0.000 1.004 61 V HN 0.879 nan 8.190 nan 0.000 0.424 62 M N 3.312 122.602 119.600 -0.517 0.000 2.152 62 M HA 0.324 4.796 4.480 -0.013 0.000 0.354 62 M C 1.027 177.252 176.300 -0.125 0.000 1.173 62 M CA 0.132 55.251 55.300 -0.300 0.000 1.110 62 M CB 1.231 33.752 32.600 -0.131 0.000 1.366 62 M HN 0.743 nan 8.290 nan 0.000 0.415 63 S N 3.307 118.958 115.700 -0.083 0.000 2.383 63 S HA -0.081 4.381 4.470 -0.013 0.000 0.227 63 S C 0.732 175.340 174.600 0.014 0.000 1.026 63 S CA 1.443 59.622 58.200 -0.035 0.000 0.981 63 S CB -0.338 62.843 63.200 -0.032 0.000 0.818 63 S HN 0.895 nan 8.310 nan 0.000 0.472 64 N N 0.574 119.290 118.700 0.027 0.000 3.178 64 N HA 0.229 4.961 4.740 -0.013 0.000 0.300 64 N C 1.112 176.568 175.510 -0.089 0.000 1.242 64 N CA 0.153 53.230 53.050 0.046 0.000 1.192 64 N CB 0.538 39.044 38.487 0.031 0.000 1.463 64 N HN 0.253 nan 8.380 nan 0.000 0.539 65 G N 1.815 110.645 108.800 0.050 0.000 2.532 65 G HA2 -0.367 3.585 3.960 -0.013 0.000 0.222 65 G HA3 -0.367 3.585 3.960 -0.013 0.000 0.222 65 G C 1.384 176.305 174.900 0.035 0.000 1.102 65 G CA 0.833 45.974 45.100 0.068 0.000 0.742 65 G HN 0.806 nan 8.290 nan 0.000 0.577 66 H N -0.097 118.973 119.070 0.000 0.000 2.489 66 H HA 0.029 4.576 4.556 -0.014 0.000 0.293 66 H C 2.139 177.288 175.328 -0.298 0.000 1.066 66 H CA 0.942 56.775 56.048 -0.358 0.000 1.305 66 H CB -0.690 28.664 29.762 -0.680 0.000 1.386 66 H HN 0.244 nan 8.280 nan 0.000 0.551 67 G N 1.348 109.789 108.800 -0.599 0.000 3.383 67 G HA2 0.022 3.974 3.960 -0.013 0.000 0.251 67 G HA3 0.022 3.974 3.960 -0.013 0.000 0.251 67 G C 1.514 176.271 174.900 -0.237 0.000 1.203 67 G CA 0.216 45.106 45.100 -0.350 0.000 0.852 67 G HN 0.688 nan 8.290 nan 0.000 0.531 68 C N -1.234 117.911 119.300 -0.257 0.000 2.409 68 C HA 0.196 4.648 4.460 -0.013 0.000 0.288 68 C C 2.977 177.622 174.990 -0.574 0.000 1.395 68 C CA 0.427 59.193 59.018 -0.420 0.000 1.792 68 C CB -1.110 26.338 27.740 -0.486 0.000 1.847 68 C HN 0.489 nan 8.230 nan 0.000 0.534 69 A N 1.203 123.823 122.820 -0.333 0.000 1.940 69 A HA -0.082 4.230 4.320 -0.013 0.000 0.219 69 A C 2.138 179.556 177.584 -0.277 0.000 1.176 69 A CA 1.910 53.719 52.037 -0.380 0.000 0.631 69 A CB -0.662 18.085 19.000 -0.421 0.000 0.814 69 A HN 0.669 nan 8.150 nan 0.000 0.446 70 L N -0.240 120.843 121.223 -0.232 0.000 2.017 70 L HA -0.198 4.134 4.340 -0.013 0.000 0.208 70 L C 2.527 179.243 176.870 -0.256 0.000 1.073 70 L CA 2.751 57.480 54.840 -0.186 0.000 0.745 70 L CB -0.768 41.236 42.059 -0.091 0.000 0.894 70 L HN 0.597 nan 8.230 nan 0.000 0.432 71 Q N -1.986 117.646 119.800 -0.279 0.000 2.124 71 Q HA -0.240 4.092 4.340 -0.013 0.000 0.202 71 Q C 2.127 177.985 176.000 -0.236 0.000 0.977 71 Q CA 1.851 57.478 55.803 -0.294 0.000 0.850 71 Q CB -0.269 28.368 28.738 -0.167 0.000 0.901 71 Q HN 0.589 nan 8.270 nan 0.000 0.429 72 Y N -0.057 120.155 120.300 -0.146 0.000 2.181 72 Y HA -0.117 4.429 4.550 -0.008 0.000 0.288 72 Y C 2.400 178.212 175.900 -0.147 0.000 1.146 72 Y CA 0.815 58.843 58.100 -0.119 0.000 1.164 72 Y CB -1.149 37.262 38.460 -0.081 0.000 0.982 72 Y HN 0.275 nan 8.280 nan 0.000 0.515 73 A N 0.181 122.978 122.820 -0.040 0.000 1.877 73 A HA -0.152 4.160 4.320 -0.013 0.000 0.216 73 A C 2.358 179.824 177.584 -0.197 0.000 1.186 73 A CA 1.678 53.661 52.037 -0.090 0.000 0.620 73 A CB -1.154 17.768 19.000 -0.129 0.000 0.822 73 A HN 0.447 nan 8.150 nan 0.000 0.443 74 L N -0.695 120.284 121.223 -0.407 0.000 2.046 74 L HA -0.166 4.166 4.340 -0.013 0.000 0.208 74 L C 2.562 179.135 176.870 -0.494 0.000 1.077 74 L CA 0.995 55.410 54.840 -0.707 0.000 0.747 74 L CB -0.537 40.580 42.059 -1.570 0.000 0.896 74 L HN 0.367 nan 8.230 nan 0.000 0.432 75 L N -0.987 120.038 121.223 -0.330 0.000 2.046 75 L HA -0.262 4.070 4.340 -0.013 0.000 0.208 75 L C 2.688 179.640 176.870 0.137 0.000 1.077 75 L CA 1.312 56.114 54.840 -0.064 0.000 0.747 75 L CB -0.682 41.295 42.059 -0.137 0.000 0.896 75 L HN 0.344 nan 8.230 nan 0.000 0.432 76 H N 0.132 119.178 119.070 -0.040 0.000 2.299 76 H HA -0.140 4.409 4.556 -0.012 0.000 0.302 76 H C 2.291 177.554 175.328 -0.110 0.000 1.078 76 H CA 1.790 57.819 56.048 -0.031 0.000 1.323 76 H CB -0.060 29.670 29.762 -0.053 0.000 1.381 76 H HN 0.088 nan 8.280 nan 0.000 0.498 77 M N -0.207 119.147 119.600 -0.410 0.000 2.202 77 M HA -0.115 4.357 4.480 -0.013 0.000 0.262 77 M C 2.408 178.236 176.300 -0.787 0.000 1.063 77 M CA 1.559 56.418 55.300 -0.735 0.000 1.097 77 M CB -0.084 31.918 32.600 -0.997 0.000 1.382 77 M HN 0.483 nan 8.290 nan 0.000 0.413 78 A N -0.433 122.148 122.820 -0.399 0.000 2.167 78 A HA 0.311 4.623 4.320 -0.013 0.000 0.214 78 A C 1.708 179.378 177.584 0.144 0.000 1.151 78 A CA 1.009 53.141 52.037 0.158 0.000 0.735 78 A CB -0.640 18.821 19.000 0.768 0.000 0.802 78 A HN 0.664 nan 8.150 nan 0.000 0.467 79 G N -2.800 106.011 108.800 0.018 0.000 2.144 79 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.218 79 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.218 79 G C 0.012 174.935 174.900 0.039 0.000 0.988 79 G CA 0.039 45.130 45.100 -0.014 0.000 0.659 79 G HN 0.361 nan 8.290 nan 0.000 0.522 80 Y N 0.127 120.472 120.300 0.074 0.000 2.296 80 Y HA 0.367 4.909 4.550 -0.015 0.000 0.343 80 Y C 1.346 177.291 175.900 0.074 0.000 1.292 80 Y CA 0.201 58.363 58.100 0.104 0.000 1.490 80 Y CB 0.335 38.878 38.460 0.140 0.000 1.359 80 Y HN 0.095 nan 8.280 nan 0.000 0.599 81 N N 1.973 120.828 118.700 0.257 0.000 3.210 81 N HA 0.035 4.767 4.740 -0.013 0.000 0.314 81 N C -1.724 173.875 175.510 0.148 0.000 1.291 81 N CA 0.222 53.367 53.050 0.158 0.000 1.202 81 N CB -1.031 37.532 38.487 0.126 0.000 1.475 81 N HN 0.417 nan 8.380 nan 0.000 0.554 82 L N 1.222 122.549 121.223 0.172 0.000 2.415 82 L HA 0.356 4.688 4.340 -0.013 0.000 0.268 82 L C 0.345 177.329 176.870 0.190 0.000 0.984 82 L CA -0.450 54.468 54.840 0.130 0.000 0.853 82 L CB 1.173 43.305 42.059 0.122 0.000 1.215 82 L HN 0.165 nan 8.230 nan 0.000 0.419 83 T N 0.786 115.398 114.554 0.097 0.000 2.788 83 T HA 0.204 4.546 4.350 -0.013 0.000 0.280 83 T C 1.112 175.723 174.700 -0.148 0.000 0.984 83 T CA -0.399 61.748 62.100 0.079 0.000 0.972 83 T CB 0.754 69.638 68.868 0.026 0.000 1.039 83 T HN 0.574 nan 8.240 nan 0.000 0.530 84 M N 0.584 120.046 119.600 -0.231 0.000 2.229 84 M HA -0.021 4.451 4.480 -0.013 0.000 0.264 84 M C 1.503 177.626 176.300 -0.296 0.000 1.063 84 M CA 1.451 56.516 55.300 -0.391 0.000 1.114 84 M CB -1.093 31.355 32.600 -0.254 0.000 1.387 84 M HN 0.662 nan 8.290 nan 0.000 0.420 85 D N 0.134 120.419 120.400 -0.191 0.000 2.144 85 D HA -0.164 4.468 4.640 -0.013 0.000 0.200 85 D C 1.498 177.708 176.300 -0.150 0.000 0.978 85 D CA 1.284 55.183 54.000 -0.168 0.000 0.833 85 D CB -0.323 40.414 40.800 -0.104 0.000 0.961 85 D HN 0.422 nan 8.370 nan 0.000 0.470 86 D N 0.714 121.037 120.400 -0.129 0.000 2.117 86 D HA -0.087 4.545 4.640 -0.013 0.000 0.197 86 D C 2.438 178.660 176.300 -0.129 0.000 0.987 86 D CA 0.399 54.328 54.000 -0.118 0.000 0.829 86 D CB -0.154 40.581 40.800 -0.108 0.000 0.961 86 D HN 0.254 nan 8.370 nan 0.000 0.460 87 L N 0.586 121.713 121.223 -0.159 0.000 2.046 87 L HA -0.143 4.189 4.340 -0.013 0.000 0.208 87 L C 2.232 179.088 176.870 -0.024 0.000 1.077 87 L CA 1.111 55.895 54.840 -0.094 0.000 0.747 87 L CB -0.381 41.611 42.059 -0.112 0.000 0.896 87 L HN -0.053 nan 8.230 nan 0.000 0.432 88 K N 0.116 120.397 120.400 -0.198 0.000 2.442 88 K HA -0.033 4.279 4.320 -0.013 0.000 0.198 88 K C 1.590 178.169 176.600 -0.036 0.000 1.042 88 K CA 0.793 56.946 56.287 -0.224 0.000 0.958 88 K CB -0.128 32.106 32.500 -0.442 0.000 0.766 88 K HN 0.343 nan 8.250 nan 0.000 0.474 89 G N 0.595 109.385 108.800 -0.018 0.000 3.434 89 G HA2 -0.024 3.928 3.960 -0.013 0.000 0.258 89 G HA3 -0.024 3.928 3.960 -0.013 0.000 0.258 89 G C -0.207 174.735 174.900 0.070 0.000 1.128 89 G CA -0.539 44.565 45.100 0.007 0.000 0.792 89 G HN 0.095 nan 8.290 nan 0.000 0.539 90 F N 1.842 121.772 119.950 -0.033 0.000 2.623 90 F HA 0.153 4.670 4.527 -0.016 0.000 0.383 90 F C 1.537 177.349 175.800 0.020 0.000 1.077 90 F CA -0.061 57.939 58.000 0.001 0.000 1.268 90 F CB 0.327 39.366 39.000 0.066 0.000 1.053 90 F HN 0.325 nan 8.300 nan 0.000 0.571 91 R N 2.067 122.250 120.500 -0.528 0.000 3.741 91 R HA -0.268 4.064 4.340 -0.013 0.000 0.292 91 R C -0.502 175.692 176.300 -0.176 0.000 1.176 91 R CA 1.046 56.879 56.100 -0.445 0.000 0.794 91 R CB -1.688 28.246 30.300 -0.609 0.000 1.213 91 R HN 0.757 nan 8.270 nan 0.000 0.494 92 Q N -0.060 119.679 119.800 -0.101 0.000 2.348 92 Q HA 0.225 4.557 4.340 -0.013 0.000 0.271 92 Q C -0.653 175.320 176.000 -0.045 0.000 1.067 92 Q CA -1.063 54.709 55.803 -0.052 0.000 0.839 92 Q CB 1.510 30.234 28.738 -0.023 0.000 1.354 92 Q HN 0.014 nan 8.270 nan 0.000 0.447 93 D N 0.250 120.631 120.400 -0.032 0.000 2.581 93 D HA 0.058 4.690 4.640 -0.013 0.000 0.238 93 D C 0.894 177.179 176.300 -0.024 0.000 1.145 93 D CA 2.197 56.182 54.000 -0.025 0.000 0.866 93 D CB 0.135 40.923 40.800 -0.019 0.000 1.151 93 D HN 0.709 nan 8.370 nan 0.000 0.500 94 G N 2.760 111.547 108.800 -0.022 0.000 2.168 94 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.263 94 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.263 94 G C 0.485 175.369 174.900 -0.026 0.000 0.977 94 G CA 0.776 45.864 45.100 -0.020 0.000 0.659 94 G HN 1.053 nan 8.290 nan 0.000 0.533 95 S N -0.917 114.762 115.700 -0.035 0.000 2.624 95 S HA 0.562 5.024 4.470 -0.013 0.000 0.263 95 S C 1.112 175.679 174.600 -0.055 0.000 1.287 95 S CA 0.019 58.190 58.200 -0.048 0.000 0.990 95 S CB 1.118 64.286 63.200 -0.054 0.000 0.950 95 S HN 0.380 nan 8.310 nan 0.000 0.561 96 R N 0.219 120.672 120.500 -0.079 0.000 2.356 96 R HA 0.118 4.450 4.340 -0.013 0.000 0.234 96 R C 0.100 176.277 176.300 -0.204 0.000 0.929 96 R CA 0.509 56.555 56.100 -0.089 0.000 1.084 96 R CB -0.208 30.049 30.300 -0.072 0.000 1.105 96 R HN 0.858 nan 8.270 nan 0.000 0.515 97 T N -0.921 113.493 114.554 -0.233 0.000 3.504 97 T HA 0.273 4.615 4.350 -0.013 0.000 0.286 97 T C -2.444 172.205 174.700 -0.085 0.000 1.530 97 T CA -1.892 59.940 62.100 -0.447 0.000 1.652 97 T CB 1.256 69.855 68.868 -0.448 0.000 0.895 97 T HN -0.096 nan 8.240 nan 0.000 0.674 98 P HA 0.181 nan 4.420 nan 0.000 0.273 98 P C 1.435 178.749 177.300 0.023 0.000 1.250 98 P CA -0.085 63.022 63.100 0.011 0.000 0.793 98 P CB 0.534 32.275 31.700 0.068 0.000 1.011 99 G N 0.036 108.757 108.800 -0.132 0.000 2.507 99 G HA2 -0.184 3.768 3.960 -0.013 0.000 0.221 99 G HA3 -0.184 3.768 3.960 -0.013 0.000 0.221 99 G C 0.114 174.865 174.900 -0.249 0.000 1.119 99 G CA 1.173 46.137 45.100 -0.226 0.000 0.751 99 G HN 0.645 nan 8.290 nan 0.000 0.574 100 H N -1.143 117.992 119.070 0.107 0.000 2.895 100 H HA 0.448 4.996 4.556 -0.013 0.000 0.373 100 H C -2.588 172.814 175.328 0.123 0.000 1.174 100 H CA -1.892 54.212 56.048 0.093 0.000 1.144 100 H CB 1.844 31.639 29.762 0.055 0.000 1.793 100 H HN -0.139 nan 8.280 nan 0.000 0.551 101 P HA -0.002 nan 4.420 nan 0.000 0.261 101 P C -0.844 176.541 177.300 0.142 0.000 1.183 101 P CA 0.443 63.634 63.100 0.152 0.000 0.761 101 P CB 0.495 32.224 31.700 0.050 0.000 0.785 102 E N 2.488 122.777 120.200 0.150 0.000 2.191 102 E HA 0.249 4.591 4.350 -0.013 0.000 0.263 102 E C -0.188 176.445 176.600 0.056 0.000 0.881 102 E CA -1.029 55.430 56.400 0.100 0.000 0.757 102 E CB 1.826 31.595 29.700 0.116 0.000 1.147 102 E HN 0.319 nan 8.360 nan 0.000 0.414 103 R N 2.538 123.020 120.500 -0.030 0.000 2.585 103 R HA -0.040 4.292 4.340 -0.013 0.000 0.275 103 R C -0.181 176.047 176.300 -0.120 0.000 1.018 103 R CA 1.017 56.986 56.100 -0.217 0.000 1.072 103 R CB 0.047 30.097 30.300 -0.416 0.000 0.953 103 R HN 0.837 nan 8.270 nan 0.000 0.419 104 F N 0.379 120.350 119.950 0.035 0.000 2.549 104 F HA -0.418 4.100 4.527 -0.015 0.000 0.616 104 F C 1.573 177.381 175.800 0.013 0.000 0.500 104 F CA 0.843 58.849 58.000 0.011 0.000 0.948 104 F CB -1.270 37.711 39.000 -0.032 0.000 1.754 104 F HN 0.376 nan 8.300 nan 0.000 0.260 105 V N -0.782 119.247 119.914 0.191 0.000 2.453 105 V HA -0.108 4.004 4.120 -0.013 0.000 0.247 105 V C 0.921 177.068 176.094 0.088 0.000 1.048 105 V CA 2.397 64.768 62.300 0.118 0.000 1.049 105 V CB -0.209 31.674 31.823 0.098 0.000 0.672 105 V HN 0.361 nan 8.190 nan 0.000 0.457 106 T N 0.868 115.482 114.554 0.100 0.000 2.824 106 T HA 0.456 4.798 4.350 -0.013 0.000 0.282 106 T C -2.711 172.045 174.700 0.094 0.000 0.993 106 T CA -1.110 61.042 62.100 0.087 0.000 0.967 106 T CB 2.034 70.983 68.868 0.134 0.000 0.960 106 T HN 0.018 nan 8.240 nan 0.000 0.441 107 P HA 0.345 nan 4.420 nan 0.000 0.271 107 P C 1.062 178.388 177.300 0.044 0.000 1.216 107 P CA 0.676 63.861 63.100 0.142 0.000 0.771 107 P CB 0.473 32.304 31.700 0.218 0.000 0.864 108 G N 1.190 110.023 108.800 0.055 0.000 2.199 108 G HA2 -0.207 3.745 3.960 -0.013 0.000 0.254 108 G HA3 -0.207 3.745 3.960 -0.013 0.000 0.254 108 G C 0.003 174.877 174.900 -0.044 0.000 0.982 108 G CA -0.188 44.839 45.100 -0.122 0.000 0.632 108 G HN 0.529 nan 8.290 nan 0.000 0.529 109 V N 2.053 121.971 119.914 0.006 0.000 2.364 109 V HA 0.359 4.471 4.120 -0.013 0.000 0.272 109 V C 1.322 177.400 176.094 -0.027 0.000 1.036 109 V CA -0.281 62.033 62.300 0.023 0.000 0.880 109 V CB 1.529 33.386 31.823 0.056 0.000 0.991 109 V HN 0.295 nan 8.190 nan 0.000 0.460 110 E N 3.514 123.702 120.200 -0.021 0.000 2.072 110 E HA -0.021 4.321 4.350 -0.013 0.000 0.190 110 E C 0.511 177.078 176.600 -0.055 0.000 0.982 110 E CA 1.001 57.371 56.400 -0.050 0.000 0.803 110 E CB 0.244 29.924 29.700 -0.033 0.000 0.755 110 E HN 0.668 nan 8.360 nan 0.000 0.453 111 V N -2.136 117.761 119.914 -0.028 0.000 3.181 111 V HA 0.553 4.665 4.120 -0.013 0.000 0.308 111 V C -0.230 175.868 176.094 0.006 0.000 1.214 111 V CA -0.966 61.343 62.300 0.016 0.000 1.053 111 V CB 1.665 33.519 31.823 0.051 0.000 1.069 111 V HN 0.043 nan 8.190 nan 0.000 0.441 112 T N 0.647 115.217 114.554 0.027 0.000 2.795 112 T HA 0.762 5.104 4.350 -0.013 0.000 0.282 112 T C 0.060 174.782 174.700 0.037 0.000 0.980 112 T CA 0.416 62.535 62.100 0.033 0.000 1.012 112 T CB 0.913 69.800 68.868 0.033 0.000 0.936 112 T HN 1.594 nan 8.240 nan 0.000 0.457 113 T N 0.574 115.153 114.554 0.042 0.000 2.807 113 T HA 0.885 5.227 4.350 -0.013 0.000 0.277 113 T C 0.946 175.673 174.700 0.045 0.000 1.006 113 T CA -0.145 61.974 62.100 0.031 0.000 1.006 113 T CB 1.425 70.304 68.868 0.018 0.000 1.274 113 T HN 1.364 nan 8.240 nan 0.000 0.569 114 G N 0.092 108.900 108.800 0.013 0.000 4.025 114 G HA2 0.047 3.999 3.960 -0.013 0.000 0.195 114 G HA3 0.047 3.999 3.960 -0.013 0.000 0.195 114 G C -2.645 172.178 174.900 -0.128 0.000 1.546 114 G CA -0.599 44.424 45.100 -0.129 0.000 1.007 114 G HN 0.809 nan 8.290 nan 0.000 0.388 115 P HA 0.503 nan 4.420 nan 0.000 0.275 115 P C 0.459 177.733 177.300 -0.043 0.000 1.276 115 P CA -0.190 62.868 63.100 -0.069 0.000 0.782 115 P CB 0.568 32.243 31.700 -0.042 0.000 0.851 116 L N 2.454 123.652 121.223 -0.041 0.000 2.543 116 L HA 0.070 4.402 4.340 -0.013 0.000 0.285 116 L C 1.841 178.670 176.870 -0.069 0.000 1.236 116 L CA 1.079 55.896 54.840 -0.038 0.000 0.871 116 L CB -0.546 41.485 42.059 -0.048 0.000 1.121 116 L HN 0.773 nan 8.230 nan 0.000 0.501 117 G N 0.531 109.285 108.800 -0.076 0.000 2.299 117 G HA2 -0.278 3.674 3.960 -0.013 0.000 0.237 117 G HA3 -0.278 3.674 3.960 -0.013 0.000 0.237 117 G C 0.997 175.825 174.900 -0.120 0.000 1.027 117 G CA 0.243 45.276 45.100 -0.113 0.000 0.619 117 G HN 0.589 nan 8.290 nan 0.000 0.513 118 Q N 0.569 120.309 119.800 -0.100 0.000 2.050 118 Q HA -0.051 4.281 4.340 -0.013 0.000 0.202 118 Q C 2.795 178.758 176.000 -0.062 0.000 0.980 118 Q CA 2.217 57.969 55.803 -0.085 0.000 0.840 118 Q CB -0.993 27.720 28.738 -0.042 0.000 0.898 118 Q HN 0.724 nan 8.270 nan 0.000 0.424 119 G N 1.821 110.591 108.800 -0.051 0.000 2.476 119 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.218 119 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.218 119 G C 1.526 176.390 174.900 -0.060 0.000 1.164 119 G CA 0.744 45.812 45.100 -0.055 0.000 0.768 119 G HN 0.219 nan 8.290 nan 0.000 0.560 120 I N 1.829 122.363 120.570 -0.060 0.000 2.163 120 I HA -0.215 3.947 4.170 -0.013 0.000 0.243 120 I C 3.253 179.348 176.117 -0.036 0.000 1.085 120 I CA 1.519 62.789 61.300 -0.050 0.000 1.347 120 I CB -1.233 36.728 38.000 -0.066 0.000 1.044 120 I HN 0.288 nan 8.210 nan 0.000 0.408 121 A N 0.723 123.512 122.820 -0.050 0.000 1.930 121 A HA -0.202 4.110 4.320 -0.013 0.000 0.217 121 A C 2.105 179.668 177.584 -0.034 0.000 1.175 121 A CA 1.798 53.813 52.037 -0.038 0.000 0.627 121 A CB -0.991 17.968 19.000 -0.068 0.000 0.815 121 A HN 0.531 nan 8.150 nan 0.000 0.443 122 N N 0.304 118.977 118.700 -0.044 0.000 2.084 122 N HA -0.108 4.624 4.740 -0.013 0.000 0.190 122 N C 1.989 177.476 175.510 -0.038 0.000 1.030 122 N CA 1.098 54.120 53.050 -0.047 0.000 0.849 122 N CB -0.279 38.183 38.487 -0.041 0.000 1.012 122 N HN 0.484 nan 8.380 nan 0.000 0.423 123 A N 0.913 123.711 122.820 -0.036 0.000 1.940 123 A HA -0.118 4.194 4.320 -0.013 0.000 0.219 123 A C 2.398 179.973 177.584 -0.016 0.000 1.176 123 A CA 1.222 53.243 52.037 -0.027 0.000 0.631 123 A CB -0.810 18.171 19.000 -0.033 0.000 0.814 123 A HN 0.120 nan 8.150 nan 0.000 0.446 124 V N -0.218 119.691 119.914 -0.009 0.000 2.407 124 V HA -0.186 3.926 4.120 -0.013 0.000 0.248 124 V C 2.765 178.839 176.094 -0.034 0.000 1.055 124 V CA 1.963 64.261 62.300 -0.003 0.000 1.049 124 V CB -1.308 30.530 31.823 0.025 0.000 0.662 124 V HN 0.629 nan 8.190 nan 0.000 0.455 125 G N -0.501 108.277 108.800 -0.038 0.000 2.402 125 G HA2 -0.169 3.783 3.960 -0.013 0.000 0.216 125 G HA3 -0.169 3.783 3.960 -0.013 0.000 0.216 125 G C 1.579 176.436 174.900 -0.073 0.000 1.162 125 G CA 0.679 45.738 45.100 -0.068 0.000 0.777 125 G HN 0.456 nan 8.290 nan 0.000 0.539 126 L N 0.615 121.826 121.223 -0.019 0.000 2.083 126 L HA -0.073 4.259 4.340 -0.013 0.000 0.209 126 L C 3.377 180.255 176.870 0.014 0.000 1.083 126 L CA 1.052 55.928 54.840 0.060 0.000 0.752 126 L CB -0.346 41.766 42.059 0.089 0.000 0.899 126 L HN 0.319 nan 8.230 nan 0.000 0.433 127 A N 0.093 122.893 122.820 -0.033 0.000 1.930 127 A HA -0.128 4.184 4.320 -0.013 0.000 0.217 127 A C 2.195 179.714 177.584 -0.108 0.000 1.175 127 A CA 1.201 53.197 52.037 -0.069 0.000 0.627 127 A CB -0.530 18.434 19.000 -0.058 0.000 0.815 127 A HN 0.337 nan 8.150 nan 0.000 0.443 128 I N -0.246 120.239 120.570 -0.142 0.000 2.226 128 I HA -0.271 3.891 4.170 -0.013 0.000 0.245 128 I C 2.971 178.909 176.117 -0.298 0.000 1.100 128 I CA 0.948 62.091 61.300 -0.262 0.000 1.374 128 I CB -0.329 37.404 38.000 -0.444 0.000 1.057 128 I HN 0.368 nan 8.210 nan 0.000 0.413 129 A N 0.371 123.008 122.820 -0.305 0.000 1.883 129 A HA -0.263 4.049 4.320 -0.013 0.000 0.217 129 A C 2.363 179.696 177.584 -0.418 0.000 1.186 129 A CA 1.846 53.645 52.037 -0.396 0.000 0.624 129 A CB -0.621 18.020 19.000 -0.599 0.000 0.822 129 A HN 0.414 nan 8.150 nan 0.000 0.444 130 E N 0.426 120.356 120.200 -0.448 0.000 2.058 130 E HA -0.191 4.151 4.350 -0.013 0.000 0.194 130 E C 2.237 178.726 176.600 -0.185 0.000 0.997 130 E CA 1.530 57.733 56.400 -0.328 0.000 0.801 130 E CB -0.424 29.021 29.700 -0.426 0.000 0.746 130 E HN 0.450 nan 8.360 nan 0.000 0.450 131 A N 1.056 123.813 122.820 -0.105 0.000 1.908 131 A HA -0.221 4.091 4.320 -0.013 0.000 0.218 131 A C 2.294 179.959 177.584 0.134 0.000 1.181 131 A CA 1.826 53.873 52.037 0.017 0.000 0.627 131 A CB -0.993 18.090 19.000 0.137 0.000 0.818 131 A HN 0.535 nan 8.150 nan 0.000 0.445 132 H N -0.330 118.790 119.070 0.085 0.000 2.357 132 H HA 0.014 4.562 4.556 -0.013 0.000 0.301 132 H C 1.913 177.292 175.328 0.084 0.000 1.082 132 H CA 1.613 57.734 56.048 0.123 0.000 1.342 132 H CB -0.062 29.697 29.762 -0.006 0.000 1.389 132 H HN 0.419 nan 8.280 nan 0.000 0.511 133 L N 0.347 121.573 121.223 0.006 0.000 2.141 133 L HA -0.100 4.232 4.340 -0.013 0.000 0.209 133 L C 3.058 180.033 176.870 0.175 0.000 1.094 133 L CA 0.836 55.760 54.840 0.139 0.000 0.763 133 L CB -0.403 41.795 42.059 0.233 0.000 0.908 133 L HN 0.285 nan 8.230 nan 0.000 0.437 134 A N 0.093 122.945 122.820 0.054 0.000 1.898 134 A HA -0.108 4.204 4.320 -0.013 0.000 0.216 134 A C 2.505 180.081 177.584 -0.014 0.000 1.181 134 A CA 1.545 53.595 52.037 0.022 0.000 0.620 134 A CB -0.649 18.322 19.000 -0.048 0.000 0.819 134 A HN 0.363 nan 8.150 nan 0.000 0.442 135 A N -1.254 121.535 122.820 -0.051 0.000 2.015 135 A HA -0.005 4.308 4.320 -0.013 0.000 0.219 135 A C 2.196 179.691 177.584 -0.149 0.000 1.163 135 A CA 2.105 54.091 52.037 -0.085 0.000 0.646 135 A CB -0.812 18.150 19.000 -0.063 0.000 0.806 135 A HN 0.426 nan 8.150 nan 0.000 0.448 136 T N -1.502 112.919 114.554 -0.221 0.000 2.939 136 T HA 0.103 4.445 4.350 -0.013 0.000 0.254 136 T C 1.246 175.663 174.700 -0.473 0.000 1.041 136 T CA 1.201 63.061 62.100 -0.400 0.000 1.142 136 T CB -0.251 68.258 68.868 -0.598 0.000 0.874 136 T HN 0.460 nan 8.240 nan 0.000 0.452 137 F N 0.701 120.610 119.950 -0.068 0.000 2.622 137 F HA 0.346 4.865 4.527 -0.013 0.000 0.288 137 F C 1.038 176.743 175.800 -0.158 0.000 1.120 137 F CA -0.615 57.338 58.000 -0.080 0.000 1.423 137 F CB -0.136 38.808 39.000 -0.093 0.000 1.127 137 F HN -0.090 nan 8.300 nan 0.000 0.588 138 N N 1.936 120.644 118.700 0.012 0.000 2.395 138 N HA 0.117 4.849 4.740 -0.013 0.000 0.246 138 N C -0.016 175.484 175.510 -0.017 0.000 1.246 138 N CA 0.444 53.479 53.050 -0.025 0.000 0.879 138 N CB 0.413 38.892 38.487 -0.013 0.000 1.098 138 N HN -0.004 nan 8.380 nan 0.000 0.444 139 R N 0.815 121.346 120.500 0.052 0.000 2.774 139 R HA 0.459 4.791 4.340 -0.013 0.000 0.272 139 R C -2.655 173.757 176.300 0.187 0.000 1.000 139 R CA -1.831 54.295 56.100 0.044 0.000 0.906 139 R CB 0.683 30.885 30.300 -0.163 0.000 1.227 139 R HN 0.312 nan 8.270 nan 0.000 0.468 140 P HA 0.056 nan 4.420 nan 0.000 0.260 140 P C 0.605 178.048 177.300 0.238 0.000 1.185 140 P CA 1.184 64.382 63.100 0.165 0.000 0.763 140 P CB 0.282 32.064 31.700 0.137 0.000 0.776 141 G N 2.285 111.144 108.800 0.099 0.000 2.179 141 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.260 141 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.260 141 G C -0.280 174.442 174.900 -0.297 0.000 0.977 141 G CA -0.328 44.723 45.100 -0.081 0.000 0.641 141 G HN 0.499 nan 8.290 nan 0.000 0.533 142 Y N 0.153 120.512 120.300 0.098 0.000 2.628 142 Y HA 0.493 5.035 4.550 -0.014 0.000 0.354 142 Y C 0.208 176.103 175.900 -0.009 0.000 1.061 142 Y CA -1.263 56.892 58.100 0.091 0.000 1.251 142 Y CB 0.953 39.583 38.460 0.284 0.000 1.098 142 Y HN 0.110 nan 8.280 nan 0.000 0.626 143 N N 3.417 122.165 118.700 0.080 0.000 3.188 143 N HA 0.132 4.864 4.740 -0.013 0.000 0.279 143 N C 0.945 176.500 175.510 0.074 0.000 1.213 143 N CA -0.116 52.968 53.050 0.056 0.000 1.138 143 N CB 0.025 38.548 38.487 0.060 0.000 1.417 143 N HN 0.731 nan 8.380 nan 0.000 0.526 144 I N -1.499 119.050 120.570 -0.035 0.000 3.059 144 I HA 0.163 4.325 4.170 -0.013 0.000 0.270 144 I C -0.446 175.825 176.117 0.257 0.000 1.238 144 I CA 0.282 61.585 61.300 0.005 0.000 1.478 144 I CB 0.217 37.868 38.000 -0.581 0.000 1.097 144 I HN -0.070 nan 8.210 nan 0.000 0.455 145 V N 2.741 122.726 119.914 0.117 0.000 2.409 145 V HA 0.491 4.603 4.120 -0.013 0.000 0.290 145 V C -1.319 174.787 176.094 0.021 0.000 1.017 145 V CA -0.311 62.074 62.300 0.142 0.000 0.841 145 V CB 1.237 33.142 31.823 0.136 0.000 1.003 145 V HN 0.281 nan 8.190 nan 0.000 0.426 146 D N 4.211 124.613 120.400 0.004 0.000 2.362 146 D HA 0.267 4.899 4.640 -0.013 0.000 0.228 146 D C -0.943 175.302 176.300 -0.091 0.000 1.326 146 D CA -0.214 53.720 54.000 -0.110 0.000 0.927 146 D CB 0.662 41.456 40.800 -0.010 0.000 1.501 146 D HN 0.808 nan 8.370 nan 0.000 0.519 147 H N 0.498 119.443 119.070 -0.208 0.000 3.017 147 H HA 0.428 4.976 4.556 -0.013 0.000 0.346 147 H C -1.267 173.875 175.328 -0.310 0.000 1.286 147 H CA -0.705 55.233 56.048 -0.182 0.000 1.120 147 H CB 0.636 30.287 29.762 -0.186 0.000 1.860 147 H HN 0.091 nan 8.280 nan 0.000 0.542 148 Y N 0.078 120.396 120.300 0.030 0.000 2.488 148 Y HA 0.398 4.940 4.550 -0.014 0.000 0.325 148 Y C 0.510 176.312 175.900 -0.163 0.000 1.204 148 Y CA -0.492 57.508 58.100 -0.166 0.000 1.229 148 Y CB 2.100 40.337 38.460 -0.372 0.000 1.274 148 Y HN 0.546 nan 8.280 nan 0.000 0.493 149 T N 1.993 116.471 114.554 -0.126 0.000 2.791 149 T HA 0.379 4.721 4.350 -0.013 0.000 0.288 149 T C -1.441 173.138 174.700 -0.202 0.000 0.999 149 T CA -0.647 61.406 62.100 -0.079 0.000 0.952 149 T CB -0.176 68.676 68.868 -0.026 0.000 0.938 149 T HN 0.259 nan 8.240 nan 0.000 0.444 150 Y N 1.765 122.109 120.300 0.072 0.000 2.341 150 Y HA 0.633 5.175 4.550 -0.013 0.000 0.337 150 Y C 0.060 175.893 175.900 -0.111 0.000 1.014 150 Y CA -0.938 57.200 58.100 0.063 0.000 1.111 150 Y CB 1.687 40.243 38.460 0.160 0.000 1.194 150 Y HN 0.383 nan 8.280 nan 0.000 0.462 151 V N 5.321 125.286 119.914 0.085 0.000 2.612 151 V HA 0.460 4.572 4.120 -0.013 0.000 0.301 151 V C -1.656 174.515 176.094 0.128 0.000 1.059 151 V CA -0.759 61.499 62.300 -0.070 0.000 0.886 151 V CB 0.854 32.642 31.823 -0.058 0.000 1.007 151 V HN 0.559 nan 8.190 nan 0.000 0.426 152 Y N 5.305 125.511 120.300 -0.157 0.000 2.301 152 Y HA 0.737 5.279 4.550 -0.013 0.000 0.325 152 Y C 0.659 176.532 175.900 -0.045 0.000 1.203 152 Y CA -0.922 57.150 58.100 -0.046 0.000 1.255 152 Y CB 1.362 39.807 38.460 -0.024 0.000 1.232 152 Y HN 1.019 nan 8.280 nan 0.000 0.501 153 C N 0.187 119.578 119.300 0.151 0.000 3.285 153 C HA 0.981 5.433 4.460 -0.013 0.000 0.325 153 C C 0.048 175.135 174.990 0.162 0.000 1.304 153 C CA -0.568 58.507 59.018 0.095 0.000 1.319 153 C CB 1.430 29.175 27.740 0.009 0.000 1.640 153 C HN 1.019 nan 8.230 nan 0.000 0.477 154 G N 0.206 109.099 108.800 0.155 0.000 3.175 154 G HA2 0.521 4.473 3.960 -0.013 0.000 0.255 154 G HA3 0.521 4.473 3.960 -0.013 0.000 0.255 154 G C 0.045 175.082 174.900 0.229 0.000 1.352 154 G CA -0.168 45.075 45.100 0.238 0.000 1.037 154 G HN 0.798 nan 8.290 nan 0.000 0.556 155 D N -0.103 120.459 120.400 0.270 0.000 2.117 155 D HA -0.118 4.514 4.640 -0.013 0.000 0.197 155 D C 2.493 178.720 176.300 -0.120 0.000 0.987 155 D CA 1.634 55.742 54.000 0.179 0.000 0.829 155 D CB -0.394 40.553 40.800 0.244 0.000 0.961 155 D HN 0.427 nan 8.370 nan 0.000 0.460 156 G N 0.915 109.677 108.800 -0.063 0.000 2.476 156 G HA2 -0.309 3.643 3.960 -0.013 0.000 0.218 156 G HA3 -0.309 3.643 3.960 -0.013 0.000 0.218 156 G C 1.989 176.796 174.900 -0.155 0.000 1.164 156 G CA 1.152 46.175 45.100 -0.129 0.000 0.768 156 G HN 0.311 nan 8.290 nan 0.000 0.560 157 C N 0.393 119.636 119.300 -0.095 0.000 2.413 157 C HA -0.007 4.445 4.460 -0.013 0.000 0.277 157 C C 2.886 177.765 174.990 -0.185 0.000 1.228 157 C CA 0.708 59.656 59.018 -0.115 0.000 1.731 157 C CB -1.199 26.495 27.740 -0.077 0.000 2.042 157 C HN 0.431 nan 8.230 nan 0.000 0.468 158 L N -0.201 120.873 121.223 -0.250 0.000 2.265 158 L HA -0.184 4.148 4.340 -0.013 0.000 0.215 158 L C 2.540 179.238 176.870 -0.287 0.000 1.117 158 L CA 1.324 56.011 54.840 -0.256 0.000 0.782 158 L CB -0.535 41.369 42.059 -0.258 0.000 0.914 158 L HN 0.463 nan 8.230 nan 0.000 0.441 159 M N -1.264 118.064 119.600 -0.453 0.000 2.349 159 M HA -0.025 4.447 4.480 -0.013 0.000 0.266 159 M C 0.490 176.656 176.300 -0.223 0.000 1.076 159 M CA 0.700 55.731 55.300 -0.447 0.000 1.126 159 M CB 0.159 32.431 32.600 -0.547 0.000 1.392 159 M HN 0.055 nan 8.290 nan 0.000 0.440 160 E N 0.377 120.468 120.200 -0.182 0.000 2.360 160 E HA 0.053 4.395 4.350 -0.013 0.000 0.269 160 E C 1.002 177.545 176.600 -0.096 0.000 1.022 160 E CA 0.110 56.436 56.400 -0.124 0.000 0.887 160 E CB 1.098 30.726 29.700 -0.120 0.000 0.990 160 E HN 0.293 nan 8.360 nan 0.000 0.426 161 G N 2.558 111.321 108.800 -0.062 0.000 2.422 161 G HA2 -0.241 3.711 3.960 -0.013 0.000 0.218 161 G HA3 -0.241 3.711 3.960 -0.013 0.000 0.218 161 G C 1.421 176.292 174.900 -0.049 0.000 1.146 161 G CA 0.622 45.702 45.100 -0.033 0.000 0.769 161 G HN 0.436 nan 8.290 nan 0.000 0.547 162 V N 0.265 120.107 119.914 -0.120 0.000 2.469 162 V HA -0.206 3.906 4.120 -0.013 0.000 0.251 162 V C 2.749 178.748 176.094 -0.158 0.000 1.064 162 V CA 2.358 64.505 62.300 -0.254 0.000 1.066 162 V CB -0.566 30.826 31.823 -0.719 0.000 0.667 162 V HN 0.525 nan 8.190 nan 0.000 0.461 163 C N -0.072 119.150 119.300 -0.130 0.000 2.489 163 C HA -0.102 4.350 4.460 -0.013 0.000 0.279 163 C C 2.778 177.740 174.990 -0.047 0.000 1.266 163 C CA 1.308 60.268 59.018 -0.097 0.000 1.707 163 C CB -0.986 26.684 27.740 -0.117 0.000 2.059 163 C HN 0.650 nan 8.230 nan 0.000 0.481 164 Q N 0.866 120.648 119.800 -0.031 0.000 2.096 164 Q HA -0.189 4.143 4.340 -0.013 0.000 0.204 164 Q C 1.984 178.006 176.000 0.037 0.000 0.982 164 Q CA 1.918 57.731 55.803 0.017 0.000 0.850 164 Q CB -0.581 28.163 28.738 0.011 0.000 0.901 164 Q HN 0.758 nan 8.270 nan 0.000 0.422 165 E N 0.374 120.587 120.200 0.021 0.000 2.031 165 E HA -0.160 4.182 4.350 -0.013 0.000 0.193 165 E C 1.957 178.598 176.600 0.068 0.000 0.994 165 E CA 1.097 57.523 56.400 0.043 0.000 0.800 165 E CB -0.137 29.585 29.700 0.036 0.000 0.752 165 E HN 0.351 nan 8.360 nan 0.000 0.447 166 A N 1.196 124.045 122.820 0.047 0.000 1.902 166 A HA -0.167 4.145 4.320 -0.013 0.000 0.217 166 A C 2.219 179.882 177.584 0.131 0.000 1.181 166 A CA 1.126 53.206 52.037 0.072 0.000 0.623 166 A CB -0.702 18.314 19.000 0.026 0.000 0.818 166 A HN 0.134 nan 8.150 nan 0.000 0.443 167 L N -0.613 120.691 121.223 0.135 0.000 2.083 167 L HA -0.169 4.163 4.340 -0.013 0.000 0.209 167 L C 2.927 180.024 176.870 0.378 0.000 1.083 167 L CA 1.474 56.474 54.840 0.267 0.000 0.752 167 L CB -0.489 41.594 42.059 0.039 0.000 0.899 167 L HN 0.530 nan 8.230 nan 0.000 0.433 168 S N 0.272 116.109 115.700 0.230 0.000 2.356 168 S HA -0.204 4.258 4.470 -0.013 0.000 0.223 168 S C 1.939 176.662 174.600 0.206 0.000 1.032 168 S CA 1.377 59.702 58.200 0.209 0.000 1.005 168 S CB -0.205 63.067 63.200 0.120 0.000 0.867 168 S HN 0.278 nan 8.310 nan 0.000 0.449 169 L N 1.740 123.065 121.223 0.171 0.000 2.093 169 L HA 0.221 4.553 4.340 -0.013 0.000 0.208 169 L C 2.530 179.495 176.870 0.159 0.000 1.085 169 L CA 1.904 56.843 54.840 0.166 0.000 0.755 169 L CB -1.316 40.826 42.059 0.138 0.000 0.904 169 L HN 0.353 nan 8.230 nan 0.000 0.435 170 A N -0.625 122.283 122.820 0.146 0.000 1.902 170 A HA -0.082 4.230 4.320 -0.013 0.000 0.217 170 A C 2.339 179.884 177.584 -0.065 0.000 1.181 170 A CA 1.582 53.651 52.037 0.055 0.000 0.623 170 A CB -1.511 17.551 19.000 0.102 0.000 0.818 170 A HN 0.503 nan 8.150 nan 0.000 0.443 171 G N -1.224 107.591 108.800 0.026 0.000 2.421 171 G HA2 -0.297 3.655 3.960 -0.013 0.000 0.216 171 G HA3 -0.297 3.655 3.960 -0.013 0.000 0.216 171 G C 1.502 176.403 174.900 0.001 0.000 1.171 171 G CA 1.426 46.490 45.100 -0.061 0.000 0.775 171 G HN 0.762 nan 8.290 nan 0.000 0.543 172 H N 0.433 119.510 119.070 0.011 0.000 2.421 172 H HA 0.108 4.656 4.556 -0.013 0.000 0.298 172 H C 2.224 177.529 175.328 -0.038 0.000 1.087 172 H CA 1.185 57.230 56.048 -0.005 0.000 1.330 172 H CB -0.207 29.562 29.762 0.012 0.000 1.388 172 H HN 0.290 nan 8.280 nan 0.000 0.526 173 L N -0.203 120.926 121.223 -0.156 0.000 2.558 173 L HA 0.216 4.548 4.340 -0.013 0.000 0.225 173 L C 1.161 177.912 176.870 -0.199 0.000 1.128 173 L CA 0.327 55.049 54.840 -0.197 0.000 0.868 173 L CB -0.223 41.850 42.059 0.024 0.000 1.006 173 L HN 0.464 nan 8.230 nan 0.000 0.454 174 A N 0.792 123.497 122.820 -0.191 0.000 2.610 174 A HA -0.207 4.105 4.320 -0.013 0.000 0.299 174 A C 0.331 177.816 177.584 -0.165 0.000 1.487 174 A CA 0.307 52.230 52.037 -0.189 0.000 0.743 174 A CB -2.345 16.546 19.000 -0.182 0.000 1.070 174 A HN 0.353 nan 8.150 nan 0.000 0.439 175 L N 0.533 121.662 121.223 -0.157 0.000 2.451 175 L HA 0.097 4.429 4.340 -0.013 0.000 0.272 175 L C 1.846 178.636 176.870 -0.135 0.000 1.258 175 L CA 0.450 55.220 54.840 -0.116 0.000 1.132 175 L CB -0.199 41.811 42.059 -0.082 0.000 1.361 175 L HN 0.788 nan 8.230 nan 0.000 0.438 176 E N 1.528 121.657 120.200 -0.118 0.000 2.265 176 E HA -0.216 4.126 4.350 -0.013 0.000 0.196 176 E C 1.053 177.633 176.600 -0.033 0.000 0.996 176 E CA 1.083 57.435 56.400 -0.080 0.000 0.832 176 E CB 0.049 29.707 29.700 -0.070 0.000 0.756 176 E HN 0.567 nan 8.360 nan 0.000 0.491 177 K N 0.439 120.779 120.400 -0.101 0.000 2.404 177 K HA 0.134 4.446 4.320 -0.013 0.000 0.194 177 K C 0.030 176.601 176.600 -0.048 0.000 1.023 177 K CA -0.320 55.890 56.287 -0.128 0.000 1.094 177 K CB 0.254 32.468 32.500 -0.477 0.000 0.841 177 K HN 0.093 nan 8.250 nan 0.000 0.523 178 L N 1.619 122.809 121.223 -0.056 0.000 2.265 178 L HA 0.331 4.663 4.340 -0.013 0.000 0.288 178 L C -0.777 176.088 176.870 -0.008 0.000 1.058 178 L CA -0.048 54.764 54.840 -0.047 0.000 0.809 178 L CB 0.510 42.544 42.059 -0.042 0.000 1.179 178 L HN -0.013 nan 8.230 nan 0.000 0.429 179 I N 6.409 126.964 120.570 -0.026 0.000 2.420 179 I HA 0.287 4.449 4.170 -0.013 0.000 0.282 179 I C -0.732 175.463 176.117 0.131 0.000 1.019 179 I CA -0.762 60.571 61.300 0.054 0.000 1.130 179 I CB 1.653 39.663 38.000 0.018 0.000 1.262 179 I HN 0.257 nan 8.210 nan 0.000 0.454 180 V N 7.321 127.324 119.914 0.148 0.000 2.461 180 V HA 0.344 4.456 4.120 -0.013 0.000 0.275 180 V C 0.288 176.463 176.094 0.134 0.000 1.047 180 V CA -0.243 62.133 62.300 0.127 0.000 0.955 180 V CB 1.549 33.414 31.823 0.071 0.000 0.988 180 V HN 0.481 nan 8.190 nan 0.000 0.471 181 I N 5.795 126.468 120.570 0.172 0.000 2.337 181 I HA 0.260 4.422 4.170 -0.013 0.000 0.285 181 I C -0.865 175.305 176.117 0.089 0.000 1.041 181 I CA -0.612 60.763 61.300 0.125 0.000 1.199 181 I CB 0.778 38.876 38.000 0.163 0.000 1.370 181 I HN 0.590 nan 8.210 nan 0.000 0.470 182 Y N 6.325 126.565 120.300 -0.099 0.000 2.383 182 Y HA 0.263 4.805 4.550 -0.014 0.000 0.344 182 Y C -0.174 175.646 175.900 -0.133 0.000 0.986 182 Y CA -1.454 56.572 58.100 -0.123 0.000 1.175 182 Y CB 0.738 39.102 38.460 -0.160 0.000 1.152 182 Y HN 0.492 nan 8.280 nan 0.000 0.511 183 D N 4.203 124.521 120.400 -0.136 0.000 2.422 183 D HA 0.102 4.734 4.640 -0.013 0.000 0.227 183 D C -0.755 175.236 176.300 -0.514 0.000 1.190 183 D CA 0.204 54.015 54.000 -0.314 0.000 0.905 183 D CB 0.380 41.078 40.800 -0.170 0.000 1.034 183 D HN 0.400 nan 8.370 nan 0.000 0.507 184 S N 3.187 118.384 115.700 -0.839 0.000 2.409 184 S HA 0.206 4.668 4.470 -0.013 0.000 0.308 184 S C 0.343 174.642 174.600 -0.501 0.000 1.080 184 S CA -0.793 56.900 58.200 -0.846 0.000 1.081 184 S CB -0.207 62.367 63.200 -1.043 0.000 1.009 184 S HN 0.553 nan 8.310 nan 0.000 0.502 185 N N 3.397 121.914 118.700 -0.305 0.000 2.238 185 N HA 0.089 4.821 4.740 -0.013 0.000 0.235 185 N C -0.486 175.088 175.510 0.108 0.000 1.209 185 N CA -0.513 52.496 53.050 -0.068 0.000 0.879 185 N CB -0.856 37.639 38.487 0.013 0.000 1.136 185 N HN 0.592 nan 8.380 nan 0.000 0.517 186 Y N -0.076 120.249 120.300 0.041 0.000 3.721 186 Y HA -0.218 4.324 4.550 -0.013 0.000 0.218 186 Y C -0.418 175.526 175.900 0.073 0.000 1.188 186 Y CA 0.250 58.388 58.100 0.064 0.000 1.607 186 Y CB -1.641 36.838 38.460 0.033 0.000 1.496 186 Y HN 0.235 nan 8.280 nan 0.000 0.626 187 I N -0.500 120.172 120.570 0.169 0.000 2.722 187 I HA 0.556 4.718 4.170 -0.013 0.000 0.295 187 I C 0.154 176.322 176.117 0.085 0.000 1.161 187 I CA -0.603 60.775 61.300 0.131 0.000 1.032 187 I CB 2.236 40.316 38.000 0.132 0.000 1.244 187 I HN 0.073 nan 8.210 nan 0.000 0.421 188 S N 4.691 120.403 115.700 0.021 0.000 2.794 188 S HA 0.623 5.085 4.470 -0.013 0.000 0.299 188 S C 0.995 175.475 174.600 -0.200 0.000 1.179 188 S CA -0.783 57.363 58.200 -0.090 0.000 0.838 188 S CB 1.493 64.660 63.200 -0.055 0.000 1.206 188 S HN 0.458 nan 8.310 nan 0.000 0.523 189 I N 1.039 121.395 120.570 -0.357 0.000 2.163 189 I HA -0.196 3.966 4.170 -0.013 0.000 0.243 189 I C 1.705 177.752 176.117 -0.116 0.000 1.085 189 I CA 1.892 63.001 61.300 -0.319 0.000 1.347 189 I CB -0.620 37.218 38.000 -0.270 0.000 1.044 189 I HN 0.643 nan 8.210 nan 0.000 0.408 190 D N 0.329 120.682 120.400 -0.078 0.000 2.263 190 D HA 0.057 4.689 4.640 -0.013 0.000 0.208 190 D C 1.031 177.326 176.300 -0.008 0.000 0.971 190 D CA 1.335 55.317 54.000 -0.030 0.000 0.867 190 D CB 0.077 40.865 40.800 -0.019 0.000 0.929 190 D HN 0.575 nan 8.370 nan 0.000 0.492 191 G N -0.699 108.098 108.800 -0.004 0.000 2.233 191 G HA2 -0.082 3.870 3.960 -0.013 0.000 0.162 191 G HA3 -0.082 3.870 3.960 -0.013 0.000 0.162 191 G C -0.629 174.300 174.900 0.049 0.000 1.327 191 G CA -0.143 44.971 45.100 0.024 0.000 1.187 191 G HN 0.176 nan 8.290 nan 0.000 0.479 192 S N 0.434 116.171 115.700 0.062 0.000 2.558 192 S HA 0.369 4.831 4.470 -0.013 0.000 0.288 192 S C 2.094 176.764 174.600 0.117 0.000 1.318 192 S CA 1.324 59.581 58.200 0.094 0.000 1.056 192 S CB 0.678 63.922 63.200 0.072 0.000 0.853 192 S HN 1.842 nan 8.310 nan 0.000 0.505 193 T N 1.566 116.227 114.554 0.177 0.000 2.962 193 T HA -0.114 4.228 4.350 -0.013 0.000 0.270 193 T C 1.856 176.672 174.700 0.194 0.000 1.088 193 T CA 1.188 63.420 62.100 0.221 0.000 1.127 193 T CB -0.787 68.263 68.868 0.304 0.000 0.883 193 T HN 0.764 nan 8.240 nan 0.000 0.493 194 S N 1.340 117.127 115.700 0.145 0.000 2.547 194 S HA 0.117 4.579 4.470 -0.013 0.000 0.235 194 S C 1.827 176.473 174.600 0.078 0.000 0.980 194 S CA 0.225 58.482 58.200 0.094 0.000 0.941 194 S CB -0.887 62.347 63.200 0.058 0.000 0.763 194 S HN 0.542 nan 8.310 nan 0.000 0.532 195 L N 1.427 122.699 121.223 0.082 0.000 2.376 195 L HA 0.074 4.406 4.340 -0.013 0.000 0.219 195 L C 1.968 178.879 176.870 0.068 0.000 1.133 195 L CA 1.152 56.028 54.840 0.061 0.000 0.816 195 L CB -0.208 41.880 42.059 0.048 0.000 0.933 195 L HN 0.685 nan 8.230 nan 0.000 0.449 196 S N -3.163 112.601 115.700 0.108 0.000 2.631 196 S HA 0.112 4.574 4.470 -0.013 0.000 0.248 196 S C -0.293 174.440 174.600 0.221 0.000 0.949 196 S CA -0.553 57.717 58.200 0.117 0.000 1.470 196 S CB 0.076 63.319 63.200 0.073 0.000 1.248 196 S HN 0.062 nan 8.310 nan 0.000 0.662 197 F N 3.466 123.433 119.950 0.029 0.000 2.828 197 F HA 0.609 5.128 4.527 -0.013 0.000 0.355 197 F C -0.398 175.436 175.800 0.056 0.000 1.200 197 F CA -0.350 57.670 58.000 0.034 0.000 1.062 197 F CB 1.732 40.752 39.000 0.034 0.000 1.351 197 F HN 0.177 nan 8.300 nan 0.000 0.504 198 T N 1.227 115.697 114.554 -0.140 0.000 3.741 198 T HA 0.393 4.735 4.350 -0.013 0.000 0.242 198 T C -0.396 174.172 174.700 -0.219 0.000 1.042 198 T CA -0.536 61.447 62.100 -0.196 0.000 1.278 198 T CB -0.261 68.576 68.868 -0.051 0.000 0.994 198 T HN 0.530 nan 8.240 nan 0.000 0.594 199 E N 1.458 121.426 120.200 -0.387 0.000 2.283 199 E HA 0.261 4.603 4.350 -0.013 0.000 0.271 199 E C -0.114 176.380 176.600 -0.177 0.000 1.031 199 E CA -1.003 55.262 56.400 -0.225 0.000 0.868 199 E CB 0.759 30.348 29.700 -0.185 0.000 1.094 199 E HN 0.304 nan 8.360 nan 0.000 0.401 200 Q N 1.604 121.342 119.800 -0.102 0.000 2.664 200 Q HA 0.034 4.366 4.340 -0.013 0.000 0.223 200 Q C 1.014 176.992 176.000 -0.037 0.000 1.298 200 Q CA -0.074 55.700 55.803 -0.048 0.000 0.965 200 Q CB 0.012 28.729 28.738 -0.035 0.000 1.510 200 Q HN 0.743 nan 8.270 nan 0.000 0.567 201 C N -0.893 118.406 119.300 -0.001 0.000 2.398 201 C HA -0.242 4.210 4.460 -0.013 0.000 0.276 201 C C 2.239 177.337 174.990 0.179 0.000 1.222 201 C CA 1.181 60.252 59.018 0.089 0.000 1.746 201 C CB -1.174 26.735 27.740 0.282 0.000 2.039 201 C HN 0.875 nan 8.230 nan 0.000 0.470 202 H N 0.721 119.847 119.070 0.093 0.000 2.290 202 H HA -0.210 4.339 4.556 -0.013 0.000 0.298 202 H C 2.460 177.816 175.328 0.046 0.000 1.087 202 H CA 2.208 58.312 56.048 0.093 0.000 1.291 202 H CB -0.220 29.577 29.762 0.058 0.000 1.369 202 H HN 0.531 nan 8.280 nan 0.000 0.492 203 Q N 1.073 120.995 119.800 0.203 0.000 2.084 203 Q HA -0.163 4.169 4.340 -0.013 0.000 0.202 203 Q C 2.314 178.324 176.000 0.017 0.000 0.978 203 Q CA 1.937 57.795 55.803 0.092 0.000 0.844 203 Q CB -0.170 28.574 28.738 0.010 0.000 0.898 203 Q HN 0.411 nan 8.270 nan 0.000 0.426 204 K N -1.044 119.295 120.400 -0.103 0.000 2.009 204 K HA -0.197 4.115 4.320 -0.013 0.000 0.210 204 K C 1.864 178.249 176.600 -0.359 0.000 1.049 204 K CA 1.727 57.834 56.287 -0.299 0.000 0.929 204 K CB -0.334 31.841 32.500 -0.541 0.000 0.714 204 K HN 0.356 nan 8.250 nan 0.000 0.440 205 Y N 0.084 120.370 120.300 -0.024 0.000 2.373 205 Y HA -0.133 4.409 4.550 -0.013 0.000 0.293 205 Y C 2.160 178.122 175.900 0.103 0.000 1.129 205 Y CA 0.360 58.416 58.100 -0.073 0.000 1.226 205 Y CB 0.084 38.384 38.460 -0.267 0.000 1.000 205 Y HN -0.111 nan 8.280 nan 0.000 0.549 206 V N -0.257 119.783 119.914 0.210 0.000 2.427 206 V HA -0.298 3.814 4.120 -0.013 0.000 0.248 206 V C 2.420 178.618 176.094 0.174 0.000 1.051 206 V CA 1.694 64.129 62.300 0.224 0.000 1.048 206 V CB -0.994 30.966 31.823 0.229 0.000 0.666 206 V HN 0.469 nan 8.190 nan 0.000 0.456 207 A N -0.918 121.965 122.820 0.106 0.000 2.067 207 A HA -0.108 4.204 4.320 -0.013 0.000 0.219 207 A C 2.054 179.699 177.584 0.102 0.000 1.158 207 A CA 1.484 53.565 52.037 0.073 0.000 0.661 207 A CB -0.427 18.583 19.000 0.016 0.000 0.801 207 A HN 0.532 nan 8.150 nan 0.000 0.452 208 M N -1.311 118.384 119.600 0.158 0.000 2.494 208 M HA 0.200 4.672 4.480 -0.013 0.000 0.232 208 M C 1.172 177.674 176.300 0.336 0.000 1.137 208 M CA 0.720 56.162 55.300 0.237 0.000 1.012 208 M CB 0.377 33.137 32.600 0.266 0.000 1.567 208 M HN 0.588 nan 8.290 nan 0.000 0.486 209 G N 0.758 109.725 108.800 0.278 0.000 2.131 209 G HA2 -0.229 3.724 3.960 -0.013 0.000 0.223 209 G HA3 -0.229 3.724 3.960 -0.013 0.000 0.223 209 G C -0.291 174.697 174.900 0.148 0.000 0.990 209 G CA -0.550 44.657 45.100 0.178 0.000 0.671 209 G HN 0.340 nan 8.290 nan 0.000 0.521 210 F N 0.305 120.324 119.950 0.115 0.000 2.397 210 F HA 0.632 5.151 4.527 -0.014 0.000 0.331 210 F C 0.719 176.598 175.800 0.131 0.000 1.090 210 F CA -1.187 56.881 58.000 0.113 0.000 1.065 210 F CB 1.280 40.348 39.000 0.112 0.000 1.184 210 F HN 0.175 nan 8.300 nan 0.000 0.499 211 H N 2.446 121.615 119.070 0.165 0.000 2.761 211 H HA 0.513 5.061 4.556 -0.013 0.000 0.284 211 H C -1.232 174.161 175.328 0.108 0.000 1.105 211 H CA -0.564 55.550 56.048 0.109 0.000 1.352 211 H CB 0.222 30.018 29.762 0.057 0.000 1.423 211 H HN 0.306 nan 8.280 nan 0.000 0.464 212 V N 7.664 127.422 119.914 -0.259 0.000 2.465 212 V HA 0.241 4.353 4.120 -0.013 0.000 0.279 212 V C 0.402 176.191 176.094 -0.508 0.000 1.045 212 V CA -0.495 61.577 62.300 -0.381 0.000 0.938 212 V CB 0.958 32.423 31.823 -0.597 0.000 0.986 212 V HN 0.720 nan 8.190 nan 0.000 0.467 213 I N 4.176 124.544 120.570 -0.336 0.000 2.447 213 I HA 0.448 4.610 4.170 -0.013 0.000 0.287 213 I C -0.096 175.953 176.117 -0.113 0.000 1.023 213 I CA -0.433 60.743 61.300 -0.207 0.000 1.083 213 I CB 1.917 39.834 38.000 -0.139 0.000 1.245 213 I HN 0.598 nan 8.210 nan 0.000 0.434 214 E N 5.248 125.418 120.200 -0.051 0.000 2.204 214 E HA 0.546 4.888 4.350 -0.013 0.000 0.276 214 E C -1.134 175.451 176.600 -0.024 0.000 0.974 214 E CA -0.767 55.620 56.400 -0.022 0.000 0.815 214 E CB 3.120 32.849 29.700 0.050 0.000 1.119 214 E HN 0.234 nan 8.360 nan 0.000 0.393 215 V N 4.551 124.436 119.914 -0.048 0.000 2.380 215 V HA 0.053 4.165 4.120 -0.013 0.000 0.272 215 V C 0.780 176.833 176.094 -0.069 0.000 1.011 215 V CA -0.641 61.622 62.300 -0.061 0.000 0.826 215 V CB 1.010 32.781 31.823 -0.087 0.000 1.040 215 V HN 0.576 nan 8.190 nan 0.000 0.441 216 K N 1.631 122.005 120.400 -0.043 0.000 2.160 216 K HA -0.082 4.230 4.320 -0.013 0.000 0.206 216 K C 0.931 177.499 176.600 -0.054 0.000 1.047 216 K CA 1.020 57.288 56.287 -0.033 0.000 0.930 216 K CB 0.022 32.514 32.500 -0.013 0.000 0.720 216 K HN 0.541 nan 8.250 nan 0.000 0.450 217 N N 0.236 118.885 118.700 -0.085 0.000 2.851 217 N HA 0.116 4.848 4.740 -0.013 0.000 0.248 217 N C 0.246 175.640 175.510 -0.193 0.000 1.221 217 N CA -0.011 52.967 53.050 -0.120 0.000 0.847 217 N CB 0.993 39.417 38.487 -0.105 0.000 1.150 217 N HN 0.079 nan 8.380 nan 0.000 0.507 218 G N 0.877 109.553 108.800 -0.206 0.000 2.920 218 G HA2 -0.095 3.857 3.960 -0.013 0.000 0.208 218 G HA3 -0.095 3.857 3.960 -0.013 0.000 0.208 218 G C 0.797 175.478 174.900 -0.364 0.000 1.159 218 G CA 0.122 45.063 45.100 -0.263 0.000 0.784 218 G HN 0.457 nan 8.290 nan 0.000 0.535 219 D N 0.106 120.256 120.400 -0.417 0.000 2.240 219 D HA -0.023 4.609 4.640 -0.013 0.000 0.206 219 D C 2.345 178.228 176.300 -0.694 0.000 0.963 219 D CA 1.721 55.318 54.000 -0.673 0.000 0.863 219 D CB 0.341 40.614 40.800 -0.878 0.000 0.973 219 D HN 0.495 nan 8.370 nan 0.000 0.501 220 T N -3.135 111.101 114.554 -0.531 0.000 3.131 220 T HA 0.008 4.350 4.350 -0.013 0.000 0.283 220 T C 0.166 174.578 174.700 -0.480 0.000 0.906 220 T CA -0.429 61.383 62.100 -0.480 0.000 0.882 220 T CB 0.247 69.010 68.868 -0.176 0.000 1.208 220 T HN -0.255 nan 8.240 nan 0.000 0.561 221 D N 1.267 121.420 120.400 -0.411 0.000 2.551 221 D HA 0.247 4.879 4.640 -0.013 0.000 0.223 221 D C 0.428 176.555 176.300 -0.288 0.000 1.144 221 D CA -0.697 53.153 54.000 -0.250 0.000 1.025 221 D CB -0.379 40.326 40.800 -0.157 0.000 1.085 221 D HN 0.374 nan 8.370 nan 0.000 0.506 222 Y N 0.847 121.110 120.300 -0.063 0.000 2.242 222 Y HA -0.105 4.437 4.550 -0.014 0.000 0.291 222 Y C 2.195 178.069 175.900 -0.044 0.000 1.137 222 Y CA 0.651 58.715 58.100 -0.059 0.000 1.181 222 Y CB 0.208 38.632 38.460 -0.059 0.000 0.989 222 Y HN 0.291 nan 8.280 nan 0.000 0.527 223 E N -0.324 119.932 120.200 0.094 0.000 2.106 223 E HA -0.113 4.229 4.350 -0.013 0.000 0.192 223 E C 2.467 179.078 176.600 0.018 0.000 0.984 223 E CA 0.996 57.427 56.400 0.051 0.000 0.806 223 E CB -0.700 29.024 29.700 0.039 0.000 0.750 223 E HN 0.534 nan 8.360 nan 0.000 0.458 224 G N 1.113 109.906 108.800 -0.011 0.000 2.402 224 G HA2 -0.198 3.754 3.960 -0.013 0.000 0.216 224 G HA3 -0.198 3.754 3.960 -0.013 0.000 0.216 224 G C 1.755 176.639 174.900 -0.027 0.000 1.162 224 G CA 0.495 45.580 45.100 -0.025 0.000 0.777 224 G HN 0.180 nan 8.290 nan 0.000 0.539 225 L N -0.188 121.007 121.223 -0.047 0.000 2.046 225 L HA -0.061 4.271 4.340 -0.013 0.000 0.208 225 L C 3.176 180.047 176.870 0.001 0.000 1.077 225 L CA 1.084 55.901 54.840 -0.038 0.000 0.747 225 L CB -0.382 41.640 42.059 -0.062 0.000 0.896 225 L HN 0.131 nan 8.230 nan 0.000 0.432 226 R N 0.059 120.570 120.500 0.018 0.000 2.073 226 R HA -0.169 4.163 4.340 -0.013 0.000 0.234 226 R C 2.344 178.655 176.300 0.018 0.000 1.134 226 R CA 1.253 57.365 56.100 0.020 0.000 0.952 226 R CB -0.244 30.072 30.300 0.026 0.000 0.850 226 R HN 0.114 nan 8.270 nan 0.000 0.433 227 K N 0.505 120.916 120.400 0.019 0.000 2.148 227 K HA 0.001 4.313 4.320 -0.013 0.000 0.204 227 K C 1.875 178.493 176.600 0.031 0.000 1.050 227 K CA 1.307 57.609 56.287 0.024 0.000 0.942 227 K CB -0.362 32.152 32.500 0.023 0.000 0.724 227 K HN 0.172 nan 8.250 nan 0.000 0.446 228 A N 0.556 123.390 122.820 0.024 0.000 1.877 228 A HA -0.142 4.170 4.320 -0.013 0.000 0.216 228 A C 2.135 179.749 177.584 0.051 0.000 1.186 228 A CA 1.431 53.487 52.037 0.031 0.000 0.620 228 A CB -0.690 18.316 19.000 0.009 0.000 0.822 228 A HN 0.218 nan 8.150 nan 0.000 0.443 229 L N -0.928 120.323 121.223 0.046 0.000 2.093 229 L HA -0.158 4.174 4.340 -0.013 0.000 0.208 229 L C 3.096 179.991 176.870 0.042 0.000 1.085 229 L CA 0.945 55.823 54.840 0.063 0.000 0.755 229 L CB -0.530 41.555 42.059 0.043 0.000 0.904 229 L HN 0.445 nan 8.230 nan 0.000 0.435 230 A N -0.240 122.598 122.820 0.029 0.000 1.877 230 A HA -0.258 4.054 4.320 -0.013 0.000 0.216 230 A C 2.275 179.878 177.584 0.032 0.000 1.186 230 A CA 1.833 53.882 52.037 0.020 0.000 0.620 230 A CB -0.511 18.502 19.000 0.021 0.000 0.822 230 A HN 0.451 nan 8.150 nan 0.000 0.443 231 E N -0.191 120.043 120.200 0.056 0.000 2.110 231 E HA -0.125 4.217 4.350 -0.013 0.000 0.193 231 E C 2.139 178.803 176.600 0.107 0.000 0.988 231 E CA 0.934 57.385 56.400 0.086 0.000 0.804 231 E CB -0.233 29.542 29.700 0.124 0.000 0.745 231 E HN 0.542 nan 8.360 nan 0.000 0.458 232 A N 1.428 124.314 122.820 0.109 0.000 1.933 232 A HA -0.186 4.126 4.320 -0.013 0.000 0.218 232 A C 2.015 179.638 177.584 0.064 0.000 1.175 232 A CA 1.439 53.551 52.037 0.124 0.000 0.628 232 A CB -0.269 18.802 19.000 0.117 0.000 0.814 232 A HN 0.103 nan 8.150 nan 0.000 0.444 233 K N -0.533 119.860 120.400 -0.011 0.000 2.228 233 K HA 0.107 4.419 4.320 -0.013 0.000 0.202 233 K C 2.182 178.799 176.600 0.028 0.000 1.051 233 K CA 0.957 57.190 56.287 -0.092 0.000 0.960 233 K CB -0.225 32.137 32.500 -0.231 0.000 0.743 233 K HN 0.442 nan 8.250 nan 0.000 0.458 234 A N 1.404 124.240 122.820 0.027 0.000 1.898 234 A HA -0.010 4.303 4.320 -0.013 0.000 0.214 234 A C 1.141 178.730 177.584 0.009 0.000 1.183 234 A CA 0.787 52.840 52.037 0.026 0.000 0.622 234 A CB -0.455 18.557 19.000 0.020 0.000 0.824 234 A HN 0.181 nan 8.150 nan 0.000 0.444 235 T N 1.819 116.366 114.554 -0.011 0.000 2.916 235 T HA 0.362 4.705 4.350 -0.013 0.000 0.303 235 T C -0.051 174.618 174.700 -0.051 0.000 1.025 235 T CA 0.288 62.333 62.100 -0.091 0.000 1.142 235 T CB 0.635 69.355 68.868 -0.247 0.000 0.947 235 T HN 0.325 nan 8.240 nan 0.000 0.544 236 K N 0.605 120.962 120.400 -0.072 0.000 2.350 236 K HA 0.594 4.906 4.320 -0.013 0.000 0.241 236 K C 1.015 177.571 176.600 -0.074 0.000 0.994 236 K CA -0.730 55.526 56.287 -0.052 0.000 0.839 236 K CB 1.994 34.471 32.500 -0.038 0.000 1.244 236 K HN 0.746 nan 8.250 nan 0.000 0.443 237 G N 0.984 109.739 108.800 -0.075 0.000 2.217 237 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.246 237 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.246 237 G C -0.261 174.581 174.900 -0.098 0.000 0.990 237 G CA 0.206 45.254 45.100 -0.087 0.000 0.627 237 G HN 0.451 nan 8.290 nan 0.000 0.522 238 K N 0.287 120.630 120.400 -0.094 0.000 2.527 238 K HA 0.514 4.826 4.320 -0.013 0.000 0.260 238 K C -3.060 173.448 176.600 -0.154 0.000 0.937 238 K CA -2.116 54.097 56.287 -0.123 0.000 0.826 238 K CB 3.120 35.590 32.500 -0.051 0.000 1.359 238 K HN -0.045 nan 8.250 nan 0.000 0.434 239 P HA 0.183 nan 4.420 nan 0.000 0.274 239 P C -1.149 176.054 177.300 -0.163 0.000 1.237 239 P CA -0.482 62.401 63.100 -0.361 0.000 0.793 239 P CB 0.606 31.812 31.700 -0.824 0.000 0.977 240 K N 0.966 121.392 120.400 0.044 0.000 2.208 240 K HA 0.694 5.006 4.320 -0.013 0.000 0.247 240 K C -0.503 176.252 176.600 0.258 0.000 0.953 240 K CA -0.545 55.850 56.287 0.180 0.000 0.837 240 K CB 1.444 34.041 32.500 0.161 0.000 1.131 240 K HN 0.425 nan 8.250 nan 0.000 0.431 241 M N 4.305 124.021 119.600 0.192 0.000 2.124 241 M HA 0.414 4.886 4.480 -0.013 0.000 0.280 241 M C -1.655 174.645 176.300 -0.001 0.000 0.954 241 M CA -0.448 54.900 55.300 0.080 0.000 0.958 241 M CB 0.811 33.374 32.600 -0.062 0.000 1.611 241 M HN 0.550 nan 8.290 nan 0.000 0.449 242 I N 5.387 125.972 120.570 0.025 0.000 2.312 242 I HA 0.253 4.415 4.170 -0.013 0.000 0.291 242 I C -0.475 175.629 176.117 -0.022 0.000 1.031 242 I CA -0.731 60.565 61.300 -0.008 0.000 1.293 242 I CB 1.292 39.305 38.000 0.022 0.000 1.403 242 I HN 0.361 nan 8.210 nan 0.000 0.484 243 V N 7.383 127.264 119.914 -0.055 0.000 2.320 243 V HA 0.167 4.279 4.120 -0.013 0.000 0.265 243 V C 0.149 176.149 176.094 -0.155 0.000 1.048 243 V CA -0.592 61.652 62.300 -0.093 0.000 0.865 243 V CB 0.798 32.600 31.823 -0.035 0.000 1.043 243 V HN 0.757 nan 8.190 nan 0.000 0.474 244 Q N 2.699 122.364 119.800 -0.225 0.000 2.271 244 Q HA 0.590 4.922 4.340 -0.013 0.000 0.258 244 Q C -0.644 175.202 176.000 -0.258 0.000 0.936 244 Q CA -0.618 55.061 55.803 -0.207 0.000 0.909 244 Q CB 1.673 30.291 28.738 -0.200 0.000 1.253 244 Q HN 0.496 nan 8.270 nan 0.000 0.440 245 T N 3.377 117.823 114.554 -0.179 0.000 2.733 245 T HA 0.451 4.793 4.350 -0.013 0.000 0.294 245 T C -0.235 174.395 174.700 -0.115 0.000 0.956 245 T CA -0.343 61.675 62.100 -0.138 0.000 0.987 245 T CB 0.847 69.705 68.868 -0.016 0.000 0.920 245 T HN 0.791 nan 8.240 nan 0.000 0.470 246 T N -0.300 114.188 114.554 -0.110 0.000 2.887 246 T HA 0.608 4.950 4.350 -0.013 0.000 0.292 246 T C -0.436 174.269 174.700 0.009 0.000 1.087 246 T CA -0.901 61.145 62.100 -0.091 0.000 1.009 246 T CB 1.621 70.407 68.868 -0.136 0.000 1.203 246 T HN 0.266 nan 8.240 nan 0.000 0.518 247 T N 2.181 116.766 114.554 0.052 0.000 2.753 247 T HA 0.405 4.747 4.350 -0.013 0.000 0.297 247 T C 0.388 175.187 174.700 0.165 0.000 0.981 247 T CA -0.536 61.658 62.100 0.157 0.000 0.956 247 T CB 0.004 69.051 68.868 0.298 0.000 0.936 247 T HN 0.700 nan 8.240 nan 0.000 0.463 248 I N 2.952 123.602 120.570 0.133 0.000 2.752 248 I HA 0.232 4.394 4.170 -0.013 0.000 0.289 248 I C 1.202 177.406 176.117 0.145 0.000 1.197 248 I CA 1.225 62.604 61.300 0.131 0.000 1.432 248 I CB 0.058 38.142 38.000 0.139 0.000 1.359 248 I HN 0.964 nan 8.210 nan 0.000 0.571 249 G N 5.943 114.828 108.800 0.142 0.000 2.198 249 G HA2 -0.348 3.604 3.960 -0.013 0.000 0.260 249 G HA3 -0.348 3.604 3.960 -0.013 0.000 0.260 249 G C 0.212 175.210 174.900 0.164 0.000 1.025 249 G CA 0.091 45.270 45.100 0.130 0.000 0.769 249 G HN 0.737 nan 8.290 nan 0.000 0.507 250 F N 0.799 120.793 119.950 0.073 0.000 2.548 250 F HA 0.317 4.836 4.527 -0.014 0.000 0.403 250 F C 1.590 177.497 175.800 0.179 0.000 1.004 250 F CA 2.000 60.061 58.000 0.102 0.000 1.177 250 F CB 0.221 39.273 39.000 0.087 0.000 0.974 250 F HN 1.122 nan 8.300 nan 0.000 0.541 251 G N 2.921 111.412 108.800 -0.515 0.000 2.349 251 G HA2 -0.249 3.703 3.960 -0.013 0.000 0.213 251 G HA3 -0.249 3.703 3.960 -0.013 0.000 0.213 251 G C 0.440 175.166 174.900 -0.289 0.000 1.044 251 G CA 0.028 44.881 45.100 -0.411 0.000 0.633 251 G HN 1.025 nan 8.290 nan 0.000 0.506 252 S N 0.902 116.516 115.700 -0.144 0.000 2.585 252 S HA 0.493 4.955 4.470 -0.013 0.000 0.273 252 S C 2.027 176.563 174.600 -0.106 0.000 1.339 252 S CA 1.001 59.139 58.200 -0.104 0.000 1.028 252 S CB 1.198 64.376 63.200 -0.036 0.000 0.906 252 S HN 1.580 nan 8.310 nan 0.000 0.528 253 S N 3.220 118.866 115.700 -0.091 0.000 2.447 253 S HA 0.001 4.463 4.470 -0.013 0.000 0.233 253 S C 0.949 175.522 174.600 -0.044 0.000 1.006 253 S CA 0.719 58.874 58.200 -0.074 0.000 0.957 253 S CB -0.367 62.794 63.200 -0.064 0.000 0.773 253 S HN 0.791 nan 8.310 nan 0.000 0.507 254 K N 2.111 122.494 120.400 -0.028 0.000 2.493 254 K HA 0.147 4.459 4.320 -0.013 0.000 0.207 254 K C 0.244 176.853 176.600 0.015 0.000 1.033 254 K CA -0.283 56.001 56.287 -0.003 0.000 1.161 254 K CB 0.234 32.737 32.500 0.005 0.000 0.873 254 K HN 0.722 nan 8.250 nan 0.000 0.491 255 Q N -0.261 119.542 119.800 0.005 0.000 2.432 255 Q HA 0.134 4.466 4.340 -0.013 0.000 0.264 255 Q C 0.763 176.799 176.000 0.059 0.000 1.035 255 Q CA 0.667 56.493 55.803 0.038 0.000 0.908 255 Q CB 0.341 29.090 28.738 0.017 0.000 1.280 255 Q HN 0.247 nan 8.270 nan 0.000 0.455 256 G N 0.910 109.765 108.800 0.091 0.000 2.162 256 G HA2 -0.321 3.631 3.960 -0.013 0.000 0.260 256 G HA3 -0.321 3.631 3.960 -0.013 0.000 0.260 256 G C 0.168 175.118 174.900 0.083 0.000 0.976 256 G CA 0.541 45.697 45.100 0.095 0.000 0.655 256 G HN 1.222 nan 8.290 nan 0.000 0.533 257 T N -2.926 111.675 114.554 0.078 0.000 2.926 257 T HA 0.653 4.995 4.350 -0.013 0.000 0.289 257 T C 1.179 175.934 174.700 0.091 0.000 1.054 257 T CA 0.341 62.484 62.100 0.071 0.000 1.015 257 T CB 1.889 70.787 68.868 0.050 0.000 1.167 257 T HN 0.327 nan 8.240 nan 0.000 0.526 258 E N 0.750 120.999 120.200 0.082 0.000 2.418 258 E HA -0.108 4.234 4.350 -0.013 0.000 0.197 258 E C 1.221 177.895 176.600 0.123 0.000 1.026 258 E CA 0.651 57.111 56.400 0.101 0.000 0.862 258 E CB -0.222 29.510 29.700 0.054 0.000 0.799 258 E HN 0.749 nan 8.360 nan 0.000 0.518 259 K N 1.015 121.467 120.400 0.087 0.000 2.209 259 K HA -0.064 4.249 4.320 -0.013 0.000 0.204 259 K C 2.047 178.694 176.600 0.078 0.000 1.048 259 K CA 1.467 57.797 56.287 0.071 0.000 0.940 259 K CB -0.079 32.446 32.500 0.043 0.000 0.729 259 K HN 0.196 nan 8.250 nan 0.000 0.451 260 V N -1.812 118.159 119.914 0.095 0.000 3.633 260 V HA 0.038 4.150 4.120 -0.013 0.000 0.283 260 V C 1.726 177.889 176.094 0.116 0.000 1.305 260 V CA 0.479 62.828 62.300 0.082 0.000 1.153 260 V CB -0.590 31.279 31.823 0.076 0.000 0.950 260 V HN 0.206 nan 8.190 nan 0.000 0.432 261 H N 2.581 121.705 119.070 0.090 0.000 2.276 261 H HA 0.225 4.773 4.556 -0.012 0.000 0.301 261 H C 1.657 177.094 175.328 0.182 0.000 1.073 261 H CA 2.155 58.294 56.048 0.153 0.000 1.311 261 H CB -0.113 29.730 29.762 0.135 0.000 1.379 261 H HN 0.507 nan 8.280 nan 0.000 0.494 262 G N -0.856 107.848 108.800 -0.159 0.000 4.904 262 G HA2 0.631 4.583 3.960 -0.013 0.000 0.265 262 G HA3 0.631 4.583 3.960 -0.013 0.000 0.265 262 G C -1.163 173.562 174.900 -0.292 0.000 1.227 262 G CA 0.232 45.048 45.100 -0.474 0.000 0.926 262 G HN 0.639 nan 8.290 nan 0.000 0.581 263 A N 0.505 123.230 122.820 -0.158 0.000 2.589 263 A HA 0.862 5.174 4.320 -0.013 0.000 0.296 263 A C -3.179 174.375 177.584 -0.049 0.000 1.062 263 A CA -1.211 50.774 52.037 -0.087 0.000 0.686 263 A CB 1.615 20.594 19.000 -0.036 0.000 1.282 263 A HN 0.074 nan 8.150 nan 0.000 0.404 264 P HA 0.171 nan 4.420 nan 0.000 0.266 264 P C 0.811 178.102 177.300 -0.014 0.000 1.195 264 P CA -0.054 63.039 63.100 -0.012 0.000 0.768 264 P CB 0.440 32.142 31.700 0.002 0.000 0.838 265 L N 1.582 122.795 121.223 -0.017 0.000 2.201 265 L HA 0.058 4.390 4.340 -0.013 0.000 0.212 265 L C 1.222 178.079 176.870 -0.021 0.000 1.105 265 L CA 1.188 56.017 54.840 -0.019 0.000 0.775 265 L CB -1.019 41.026 42.059 -0.024 0.000 0.913 265 L HN 0.730 nan 8.230 nan 0.000 0.440 266 G N -0.164 108.624 108.800 -0.021 0.000 2.650 266 G HA2 -0.203 3.749 3.960 -0.013 0.000 0.686 266 G HA3 -0.203 3.749 3.960 -0.013 0.000 0.686 266 G C 0.159 175.043 174.900 -0.027 0.000 1.205 266 G CA -0.032 45.056 45.100 -0.020 0.000 0.781 266 G HN 0.192 nan 8.290 nan 0.000 0.648 267 E N -0.167 120.019 120.200 -0.023 0.000 2.051 267 E HA -0.157 4.185 4.350 -0.013 0.000 0.192 267 E C 2.018 178.599 176.600 -0.033 0.000 0.991 267 E CA 1.598 57.982 56.400 -0.027 0.000 0.799 267 E CB -0.040 29.649 29.700 -0.017 0.000 0.748 267 E HN 0.664 nan 8.360 nan 0.000 0.449 268 E N 0.325 120.506 120.200 -0.031 0.000 2.031 268 E HA -0.252 4.090 4.350 -0.013 0.000 0.193 268 E C 1.832 178.402 176.600 -0.050 0.000 0.994 268 E CA 1.636 58.014 56.400 -0.037 0.000 0.800 268 E CB -0.171 29.510 29.700 -0.032 0.000 0.752 268 E HN 0.190 nan 8.360 nan 0.000 0.447 269 D N 0.119 120.489 120.400 -0.049 0.000 2.149 269 D HA -0.155 4.477 4.640 -0.013 0.000 0.198 269 D C 1.950 178.204 176.300 -0.077 0.000 0.990 269 D CA 1.157 55.120 54.000 -0.063 0.000 0.839 269 D CB -0.118 40.651 40.800 -0.052 0.000 0.948 269 D HN 0.295 nan 8.370 nan 0.000 0.460 270 I N 0.159 120.691 120.570 -0.064 0.000 2.226 270 I HA -0.235 3.927 4.170 -0.013 0.000 0.245 270 I C 2.409 178.481 176.117 -0.076 0.000 1.100 270 I CA 0.978 62.237 61.300 -0.068 0.000 1.374 270 I CB -0.274 37.688 38.000 -0.064 0.000 1.057 270 I HN 0.043 nan 8.210 nan 0.000 0.413 271 A N 0.932 123.712 122.820 -0.067 0.000 1.933 271 A HA -0.200 4.112 4.320 -0.013 0.000 0.218 271 A C 2.031 179.563 177.584 -0.087 0.000 1.175 271 A CA 1.759 53.759 52.037 -0.063 0.000 0.628 271 A CB -0.582 18.390 19.000 -0.048 0.000 0.814 271 A HN 0.412 nan 8.150 nan 0.000 0.444 272 N N 0.058 118.696 118.700 -0.104 0.000 2.270 272 N HA -0.039 4.693 4.740 -0.013 0.000 0.181 272 N C 1.636 177.012 175.510 -0.222 0.000 1.016 272 N CA 1.237 54.205 53.050 -0.137 0.000 0.870 272 N CB -0.373 38.039 38.487 -0.125 0.000 0.979 272 N HN 0.568 nan 8.380 nan 0.000 0.431 273 I N 1.387 121.809 120.570 -0.247 0.000 2.226 273 I HA -0.244 3.918 4.170 -0.013 0.000 0.245 273 I C 2.086 177.913 176.117 -0.485 0.000 1.100 273 I CA 1.152 62.195 61.300 -0.428 0.000 1.374 273 I CB -0.093 37.753 38.000 -0.256 0.000 1.057 273 I HN 0.079 nan 8.210 nan 0.000 0.413 274 K N 0.953 121.240 120.400 -0.189 0.000 2.002 274 K HA -0.133 4.179 4.320 -0.013 0.000 0.209 274 K C 2.307 178.868 176.600 -0.064 0.000 1.048 274 K CA 1.552 57.809 56.287 -0.050 0.000 0.930 274 K CB -0.329 32.165 32.500 -0.010 0.000 0.714 274 K HN 0.280 nan 8.250 nan 0.000 0.438 275 A N 2.032 124.794 122.820 -0.098 0.000 1.908 275 A HA -0.248 4.064 4.320 -0.013 0.000 0.218 275 A C 2.070 179.595 177.584 -0.099 0.000 1.181 275 A CA 1.872 53.866 52.037 -0.072 0.000 0.627 275 A CB -0.485 18.471 19.000 -0.073 0.000 0.818 275 A HN 0.280 nan 8.150 nan 0.000 0.445 276 K N -1.531 118.730 120.400 -0.231 0.000 2.152 276 K HA -0.155 4.157 4.320 -0.013 0.000 0.206 276 K C 0.674 177.193 176.600 -0.135 0.000 1.048 276 K CA 1.583 57.703 56.287 -0.279 0.000 0.933 276 K CB -0.242 31.945 32.500 -0.522 0.000 0.721 276 K HN 0.407 nan 8.250 nan 0.000 0.447 277 F N 0.225 120.176 119.950 0.001 0.000 2.732 277 F HA 0.298 4.816 4.527 -0.014 0.000 0.303 277 F C 1.280 177.094 175.800 0.023 0.000 1.110 277 F CA 0.068 58.083 58.000 0.025 0.000 1.355 277 F CB 0.216 39.237 39.000 0.035 0.000 1.081 277 F HN 0.233 nan 8.300 nan 0.000 0.565 278 G N 1.255 110.145 108.800 0.149 0.000 2.176 278 G HA2 -0.317 3.635 3.960 -0.013 0.000 0.252 278 G HA3 -0.317 3.635 3.960 -0.013 0.000 0.252 278 G C 0.390 175.344 174.900 0.092 0.000 1.024 278 G CA -0.198 44.960 45.100 0.097 0.000 0.755 278 G HN 0.393 nan 8.290 nan 0.000 0.507 279 R N -0.347 120.212 120.500 0.099 0.000 2.720 279 R HA 0.441 4.773 4.340 -0.013 0.000 0.272 279 R C -0.425 175.902 176.300 0.045 0.000 0.991 279 R CA -0.995 55.154 56.100 0.082 0.000 1.010 279 R CB 0.919 31.288 30.300 0.115 0.000 1.141 279 R HN 0.161 nan 8.270 nan 0.000 0.494 280 D N 3.234 123.656 120.400 0.037 0.000 2.412 280 D HA 0.001 4.633 4.640 -0.013 0.000 0.257 280 D C -1.399 174.908 176.300 0.012 0.000 1.217 280 D CA -1.338 52.675 54.000 0.022 0.000 0.897 280 D CB 1.057 41.871 40.800 0.023 0.000 1.132 280 D HN 0.255 nan 8.370 nan 0.000 0.493 281 P HA -0.054 nan 4.420 nan 0.000 0.242 281 P C 0.583 177.876 177.300 -0.012 0.000 1.197 281 P CA 0.468 63.559 63.100 -0.015 0.000 0.765 281 P CB 0.733 32.418 31.700 -0.025 0.000 0.936 282 Q N -0.322 119.477 119.800 -0.002 0.000 2.402 282 Q HA 0.187 4.519 4.340 -0.013 0.000 0.231 282 Q C 0.643 176.648 176.000 0.009 0.000 0.888 282 Q CA 0.712 56.517 55.803 0.002 0.000 0.938 282 Q CB 0.258 29.000 28.738 0.005 0.000 1.086 282 Q HN 0.258 nan 8.270 nan 0.000 0.543 283 K N 1.239 121.647 120.400 0.014 0.000 2.234 283 K HA 0.315 4.627 4.320 -0.013 0.000 0.282 283 K C -0.358 176.251 176.600 0.015 0.000 1.039 283 K CA -0.079 56.223 56.287 0.026 0.000 0.928 283 K CB 1.124 33.644 32.500 0.033 0.000 1.039 283 K HN -0.109 nan 8.250 nan 0.000 0.470 284 K N 1.900 122.322 120.400 0.036 0.000 2.221 284 K HA 0.240 4.552 4.320 -0.013 0.000 0.243 284 K C -0.649 176.010 176.600 0.098 0.000 0.968 284 K CA -0.974 55.303 56.287 -0.016 0.000 0.846 284 K CB 1.224 33.714 32.500 -0.017 0.000 1.141 284 K HN 0.453 nan 8.250 nan 0.000 0.434 285 Y N -0.287 120.001 120.300 -0.020 0.000 3.108 285 Y HA -0.270 4.277 4.550 -0.005 0.000 0.208 285 Y C -0.285 175.608 175.900 -0.012 0.000 1.245 285 Y CA 0.353 58.431 58.100 -0.035 0.000 1.171 285 Y CB -1.441 36.984 38.460 -0.058 0.000 1.331 285 Y HN 0.610 nan 8.280 nan 0.000 0.534 286 D N 0.319 120.771 120.400 0.087 0.000 2.441 286 D HA 0.525 5.157 4.640 -0.013 0.000 0.231 286 D C -0.884 175.456 176.300 0.067 0.000 1.073 286 D CA -0.359 53.688 54.000 0.078 0.000 0.850 286 D CB 0.913 41.747 40.800 0.057 0.000 1.062 286 D HN 0.007 nan 8.370 nan 0.000 0.524 287 V N 4.836 124.799 119.914 0.081 0.000 2.350 287 V HA 0.221 4.333 4.120 -0.013 0.000 0.276 287 V C 0.278 176.405 176.094 0.055 0.000 1.028 287 V CA -0.921 61.419 62.300 0.065 0.000 0.860 287 V CB 1.365 33.232 31.823 0.073 0.000 0.990 287 V HN 0.567 nan 8.190 nan 0.000 0.453 288 D N 3.770 124.201 120.400 0.052 0.000 2.443 288 D HA -0.004 4.628 4.640 -0.013 0.000 0.239 288 D C 0.562 176.893 176.300 0.051 0.000 1.136 288 D CA 0.050 54.083 54.000 0.054 0.000 0.879 288 D CB 1.448 42.282 40.800 0.057 0.000 1.195 288 D HN 0.538 nan 8.370 nan 0.000 0.443 289 D N 1.177 121.607 120.400 0.051 0.000 2.219 289 D HA -0.142 4.490 4.640 -0.013 0.000 0.205 289 D C 1.402 177.732 176.300 0.049 0.000 0.970 289 D CA 0.897 54.924 54.000 0.046 0.000 0.851 289 D CB 0.150 40.977 40.800 0.044 0.000 0.943 289 D HN 0.541 nan 8.370 nan 0.000 0.488 290 D N 0.485 120.919 120.400 0.055 0.000 2.277 290 D HA -0.092 4.540 4.640 -0.013 0.000 0.208 290 D C 2.046 178.353 176.300 0.012 0.000 0.962 290 D CA 0.271 54.285 54.000 0.024 0.000 0.865 290 D CB -0.505 40.313 40.800 0.030 0.000 0.939 290 D HN 0.084 nan 8.370 nan 0.000 0.510 291 V N 0.642 120.587 119.914 0.053 0.000 2.407 291 V HA -0.105 4.007 4.120 -0.013 0.000 0.245 291 V C 2.651 178.872 176.094 0.211 0.000 1.041 291 V CA 1.326 63.693 62.300 0.111 0.000 1.040 291 V CB -0.449 31.444 31.823 0.116 0.000 0.671 291 V HN 0.119 nan 8.190 nan 0.000 0.455 292 R N 0.194 120.768 120.500 0.123 0.000 2.120 292 R HA -0.107 4.225 4.340 -0.013 0.000 0.234 292 R C 2.385 178.771 176.300 0.144 0.000 1.123 292 R CA 1.357 57.522 56.100 0.108 0.000 0.975 292 R CB -0.513 29.796 30.300 0.015 0.000 0.866 292 R HN 0.533 nan 8.270 nan 0.000 0.446 293 A N 0.674 123.548 122.820 0.090 0.000 1.933 293 A HA -0.105 4.207 4.320 -0.013 0.000 0.218 293 A C 2.321 179.941 177.584 0.060 0.000 1.175 293 A CA 1.245 53.317 52.037 0.057 0.000 0.628 293 A CB -0.414 18.597 19.000 0.018 0.000 0.814 293 A HN 0.108 nan 8.150 nan 0.000 0.444 294 V N -1.284 118.664 119.914 0.058 0.000 2.343 294 V HA -0.244 3.868 4.120 -0.013 0.000 0.247 294 V C 2.297 178.395 176.094 0.006 0.000 1.051 294 V CA 2.078 64.369 62.300 -0.016 0.000 1.036 294 V CB -0.956 30.808 31.823 -0.098 0.000 0.654 294 V HN 0.567 nan 8.190 nan 0.000 0.451 295 F N 0.207 120.176 119.950 0.031 0.000 2.146 295 F HA -0.122 4.398 4.527 -0.011 0.000 0.298 295 F C 2.610 178.453 175.800 0.072 0.000 1.096 295 F CA 1.827 59.879 58.000 0.085 0.000 1.275 295 F CB -0.469 38.585 39.000 0.090 0.000 1.008 295 F HN 0.015 nan 8.300 nan 0.000 0.480 296 R N 0.713 121.344 120.500 0.219 0.000 2.105 296 R HA -0.211 4.121 4.340 -0.013 0.000 0.239 296 R C 2.158 178.487 176.300 0.049 0.000 1.135 296 R CA 1.708 57.867 56.100 0.099 0.000 0.967 296 R CB -0.841 29.495 30.300 0.060 0.000 0.861 296 R HN 0.374 nan 8.270 nan 0.000 0.442 297 M N -0.970 118.659 119.600 0.048 0.000 2.132 297 M HA -0.196 4.276 4.480 -0.013 0.000 0.263 297 M C 1.950 178.256 176.300 0.011 0.000 1.065 297 M CA 2.226 57.535 55.300 0.015 0.000 1.122 297 M CB -0.341 32.264 32.600 0.008 0.000 1.365 297 M HN 0.366 nan 8.290 nan 0.000 0.411 298 H N 0.248 119.280 119.070 -0.063 0.000 2.293 298 H HA -0.124 4.424 4.556 -0.014 0.000 0.300 298 H C 1.591 176.842 175.328 -0.127 0.000 1.082 298 H CA 2.479 58.470 56.048 -0.095 0.000 1.308 298 H CB -0.177 29.516 29.762 -0.115 0.000 1.375 298 H HN 0.349 nan 8.280 nan 0.000 0.495 299 I N 1.022 121.512 120.570 -0.133 0.000 2.361 299 I HA -0.230 3.932 4.170 -0.013 0.000 0.251 299 I C 1.805 177.792 176.117 -0.216 0.000 1.133 299 I CA 1.283 62.436 61.300 -0.246 0.000 1.413 299 I CB -0.517 37.416 38.000 -0.112 0.000 1.073 299 I HN 0.362 nan 8.210 nan 0.000 0.424 300 D N 0.578 120.895 120.400 -0.138 0.000 2.117 300 D HA -0.167 4.465 4.640 -0.013 0.000 0.197 300 D C 2.198 178.411 176.300 -0.144 0.000 0.987 300 D CA 1.104 55.033 54.000 -0.118 0.000 0.829 300 D CB -0.117 40.639 40.800 -0.072 0.000 0.961 300 D HN 0.366 nan 8.370 nan 0.000 0.460 301 K N 0.092 120.391 120.400 -0.168 0.000 2.026 301 K HA -0.074 4.238 4.320 -0.013 0.000 0.208 301 K C 2.389 178.879 176.600 -0.183 0.000 1.048 301 K CA 0.980 57.172 56.287 -0.158 0.000 0.929 301 K CB -0.208 32.196 32.500 -0.159 0.000 0.713 301 K HN 0.158 nan 8.250 nan 0.000 0.439 302 C N 0.350 119.479 119.300 -0.286 0.000 2.435 302 C HA -0.048 4.404 4.460 -0.013 0.000 0.279 302 C C 3.037 177.888 174.990 -0.231 0.000 1.321 302 C CA 0.699 59.589 59.018 -0.213 0.000 1.752 302 C CB -0.649 26.904 27.740 -0.311 0.000 1.959 302 C HN 0.531 nan 8.230 nan 0.000 0.500 303 S N 0.795 116.341 115.700 -0.255 0.000 2.368 303 S HA -0.109 4.353 4.470 -0.013 0.000 0.225 303 S C 2.062 176.514 174.600 -0.246 0.000 1.030 303 S CA 1.550 59.583 58.200 -0.278 0.000 0.999 303 S CB -0.274 62.805 63.200 -0.202 0.000 0.844 303 S HN 0.613 nan 8.310 nan 0.000 0.459 304 A N 0.938 123.659 122.820 -0.165 0.000 1.933 304 A HA -0.065 4.247 4.320 -0.013 0.000 0.218 304 A C 2.012 179.543 177.584 -0.090 0.000 1.175 304 A CA 1.557 53.528 52.037 -0.110 0.000 0.628 304 A CB -0.706 18.249 19.000 -0.074 0.000 0.814 304 A HN 0.678 nan 8.150 nan 0.000 0.444 305 E N -0.829 119.324 120.200 -0.078 0.000 2.077 305 E HA -0.262 4.080 4.350 -0.013 0.000 0.193 305 E C 2.272 178.873 176.600 0.002 0.000 0.989 305 E CA 1.390 57.809 56.400 0.032 0.000 0.800 305 E CB -0.132 29.654 29.700 0.144 0.000 0.746 305 E HN 0.794 nan 8.360 nan 0.000 0.452 306 Q N 1.063 120.613 119.800 -0.416 0.000 2.050 306 Q HA -0.229 4.103 4.340 -0.013 0.000 0.202 306 Q C 2.175 178.061 176.000 -0.190 0.000 0.980 306 Q CA 1.576 56.914 55.803 -0.774 0.000 0.840 306 Q CB 0.013 27.830 28.738 -1.535 0.000 0.898 306 Q HN 0.027 nan 8.270 nan 0.000 0.424 307 K N -0.341 119.956 120.400 -0.173 0.000 2.032 307 K HA -0.176 4.136 4.320 -0.013 0.000 0.209 307 K C 1.919 178.523 176.600 0.007 0.000 1.048 307 K CA 1.296 57.542 56.287 -0.069 0.000 0.927 307 K CB -0.236 32.216 32.500 -0.079 0.000 0.712 307 K HN 0.267 nan 8.250 nan 0.000 0.441 308 A N 0.268 123.107 122.820 0.031 0.000 1.933 308 A HA -0.182 4.130 4.320 -0.013 0.000 0.218 308 A C 1.887 179.541 177.584 0.116 0.000 1.175 308 A CA 1.365 53.438 52.037 0.061 0.000 0.628 308 A CB -0.957 18.084 19.000 0.069 0.000 0.814 308 A HN 0.741 nan 8.150 nan 0.000 0.444 309 W N 0.840 122.164 121.300 0.040 0.000 2.381 309 W HA -0.106 4.546 4.660 -0.013 0.000 0.301 309 W C 1.868 178.446 176.519 0.098 0.000 1.205 309 W CA 1.729 59.147 57.345 0.122 0.000 1.285 309 W CB -0.077 29.562 29.460 0.298 0.000 1.133 309 W HN 0.451 nan 8.180 nan 0.000 0.521 310 E N 0.015 120.273 120.200 0.097 0.000 2.110 310 E HA -0.247 4.095 4.350 -0.013 0.000 0.193 310 E C 1.902 178.398 176.600 -0.173 0.000 0.988 310 E CA 1.758 58.096 56.400 -0.103 0.000 0.804 310 E CB -0.182 29.556 29.700 0.063 0.000 0.745 310 E HN 0.454 nan 8.360 nan 0.000 0.458 311 E N 0.332 120.476 120.200 -0.092 0.000 2.072 311 E HA -0.178 4.164 4.350 -0.013 0.000 0.191 311 E C 2.048 178.600 176.600 -0.080 0.000 0.985 311 E CA 0.527 56.889 56.400 -0.063 0.000 0.801 311 E CB -0.016 29.668 29.700 -0.028 0.000 0.750 311 E HN 0.090 nan 8.360 nan 0.000 0.452 312 L N 1.005 122.151 121.223 -0.128 0.000 2.046 312 L HA -0.151 4.181 4.340 -0.013 0.000 0.208 312 L C 2.121 178.938 176.870 -0.087 0.000 1.077 312 L CA 1.356 56.139 54.840 -0.095 0.000 0.747 312 L CB -0.412 41.566 42.059 -0.136 0.000 0.896 312 L HN 0.154 nan 8.230 nan 0.000 0.432 313 L N -0.353 120.644 121.223 -0.377 0.000 2.141 313 L HA -0.010 4.322 4.340 -0.013 0.000 0.209 313 L C 2.403 179.242 176.870 -0.053 0.000 1.094 313 L CA 1.866 56.496 54.840 -0.350 0.000 0.763 313 L CB -0.973 40.649 42.059 -0.728 0.000 0.908 313 L HN 0.280 nan 8.230 nan 0.000 0.437 314 A N -0.567 122.218 122.820 -0.059 0.000 1.873 314 A HA -0.219 4.093 4.320 -0.013 0.000 0.215 314 A C 2.455 180.077 177.584 0.064 0.000 1.186 314 A CA 1.785 53.827 52.037 0.008 0.000 0.616 314 A CB -0.545 18.450 19.000 -0.009 0.000 0.823 314 A HN 0.459 nan 8.150 nan 0.000 0.442 315 K N -1.710 118.757 120.400 0.110 0.000 2.057 315 K HA -0.192 4.120 4.320 -0.013 0.000 0.206 315 K C 1.943 178.692 176.600 0.250 0.000 1.050 315 K CA 1.649 58.049 56.287 0.188 0.000 0.935 315 K CB -0.402 32.244 32.500 0.244 0.000 0.715 315 K HN 0.520 nan 8.250 nan 0.000 0.439 316 Y N 1.638 122.054 120.300 0.193 0.000 2.114 316 Y HA -0.269 4.273 4.550 -0.013 0.000 0.282 316 Y C 2.057 177.935 175.900 -0.036 0.000 1.165 316 Y CA 2.402 60.459 58.100 -0.072 0.000 1.148 316 Y CB -0.580 37.862 38.460 -0.030 0.000 0.972 316 Y HN 0.046 nan 8.280 nan 0.000 0.504 317 T N 0.558 115.161 114.554 0.082 0.000 2.881 317 T HA -0.126 4.216 4.350 -0.013 0.000 0.270 317 T C 1.993 176.651 174.700 -0.071 0.000 1.068 317 T CA 1.064 63.173 62.100 0.015 0.000 1.131 317 T CB -0.560 68.364 68.868 0.092 0.000 0.871 317 T HN 0.523 nan 8.240 nan 0.000 0.479 318 A N 1.197 123.971 122.820 -0.076 0.000 1.898 318 A HA 0.406 4.718 4.320 -0.013 0.000 0.214 318 A C 2.503 179.956 177.584 -0.218 0.000 1.183 318 A CA 1.263 53.240 52.037 -0.100 0.000 0.622 318 A CB -0.759 18.211 19.000 -0.049 0.000 0.824 318 A HN 0.475 nan 8.150 nan 0.000 0.444 319 A N -2.023 120.580 122.820 -0.361 0.000 2.169 319 A HA 0.412 4.724 4.320 -0.013 0.000 0.212 319 A C 0.249 177.149 177.584 -1.139 0.000 1.153 319 A CA 0.419 52.031 52.037 -0.708 0.000 0.756 319 A CB -0.251 18.252 19.000 -0.827 0.000 0.813 319 A HN 0.414 nan 8.150 nan 0.000 0.471 320 F N -1.487 118.189 119.950 -0.456 0.000 2.708 320 F HA 0.324 4.843 4.527 -0.013 0.000 0.344 320 F C -2.156 173.470 175.800 -0.289 0.000 1.447 320 F CA -1.946 55.793 58.000 -0.435 0.000 1.140 320 F CB 1.085 39.637 39.000 -0.746 0.000 1.657 320 F HN -0.034 nan 8.300 nan 0.000 0.598 321 P HA -0.312 nan 4.420 nan 0.000 0.217 321 P C 1.758 179.088 177.300 0.049 0.000 1.162 321 P CA 2.596 65.689 63.100 -0.012 0.000 0.901 321 P CB 0.335 32.021 31.700 -0.025 0.000 0.793 322 A N -0.602 122.254 122.820 0.061 0.000 1.877 322 A HA -0.240 4.072 4.320 -0.013 0.000 0.216 322 A C 2.144 179.823 177.584 0.158 0.000 1.186 322 A CA 2.039 54.134 52.037 0.096 0.000 0.620 322 A CB -1.371 17.677 19.000 0.079 0.000 0.822 322 A HN 0.124 nan 8.150 nan 0.000 0.443 323 E N -0.196 120.105 120.200 0.168 0.000 2.110 323 E HA -0.025 4.317 4.350 -0.013 0.000 0.193 323 E C 2.083 178.950 176.600 0.446 0.000 0.988 323 E CA 1.110 57.693 56.400 0.304 0.000 0.804 323 E CB -0.664 29.156 29.700 0.200 0.000 0.745 323 E HN 0.556 nan 8.360 nan 0.000 0.458 324 G N 0.617 109.596 108.800 0.299 0.000 2.418 324 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.217 324 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.217 324 G C 1.676 176.751 174.900 0.293 0.000 1.158 324 G CA 0.922 46.227 45.100 0.342 0.000 0.771 324 G HN 0.397 nan 8.290 nan 0.000 0.545 325 A N 1.082 124.031 122.820 0.216 0.000 1.930 325 A HA 0.310 4.622 4.320 -0.013 0.000 0.217 325 A C 2.796 180.500 177.584 0.201 0.000 1.175 325 A CA 2.162 54.304 52.037 0.175 0.000 0.627 325 A CB -0.708 18.370 19.000 0.130 0.000 0.815 325 A HN 0.725 nan 8.150 nan 0.000 0.443 326 A N -1.005 121.977 122.820 0.271 0.000 1.873 326 A HA -0.013 4.299 4.320 -0.013 0.000 0.215 326 A C 2.028 179.786 177.584 0.291 0.000 1.186 326 A CA 1.567 53.793 52.037 0.315 0.000 0.616 326 A CB -0.791 18.465 19.000 0.427 0.000 0.823 326 A HN 0.626 nan 8.150 nan 0.000 0.442 327 F N 0.925 120.920 119.950 0.076 0.000 2.065 327 F HA -0.221 4.298 4.527 -0.013 0.000 0.298 327 F C 2.322 178.033 175.800 -0.149 0.000 1.112 327 F CA 2.213 59.958 58.000 -0.425 0.000 1.212 327 F CB -0.553 38.146 39.000 -0.502 0.000 0.975 327 F HN 0.030 nan 8.300 nan 0.000 0.476 328 V N 0.374 120.324 119.914 0.059 0.000 2.392 328 V HA -0.331 3.781 4.120 -0.013 0.000 0.249 328 V C 2.674 178.748 176.094 -0.033 0.000 1.059 328 V CA 1.828 64.129 62.300 0.003 0.000 1.051 328 V CB -1.569 30.324 31.823 0.118 0.000 0.658 328 V HN 0.525 nan 8.190 nan 0.000 0.455 329 A N -0.928 121.907 122.820 0.024 0.000 1.873 329 A HA -0.247 4.065 4.320 -0.013 0.000 0.215 329 A C 2.182 179.768 177.584 0.003 0.000 1.186 329 A CA 1.725 53.783 52.037 0.036 0.000 0.616 329 A CB -0.437 18.613 19.000 0.082 0.000 0.823 329 A HN 0.607 nan 8.150 nan 0.000 0.442 330 Q N -1.117 118.677 119.800 -0.010 0.000 2.084 330 Q HA -0.123 4.209 4.340 -0.013 0.000 0.202 330 Q C 1.988 177.937 176.000 -0.085 0.000 0.978 330 Q CA 1.370 57.166 55.803 -0.011 0.000 0.844 330 Q CB -0.293 28.484 28.738 0.064 0.000 0.898 330 Q HN 0.516 nan 8.270 nan 0.000 0.426 331 M N 0.039 119.501 119.600 -0.229 0.000 2.446 331 M HA -0.109 4.363 4.480 -0.013 0.000 0.263 331 M C 1.462 177.707 176.300 -0.092 0.000 1.066 331 M CA 1.403 56.571 55.300 -0.221 0.000 1.087 331 M CB -0.554 31.802 32.600 -0.405 0.000 1.406 331 M HN 0.136 nan 8.290 nan 0.000 0.459 332 R N -0.706 119.759 120.500 -0.057 0.000 2.312 332 R HA 0.223 4.555 4.340 -0.013 0.000 0.205 332 R C 1.086 177.388 176.300 0.003 0.000 0.904 332 R CA 0.545 56.639 56.100 -0.009 0.000 1.052 332 R CB 0.209 30.513 30.300 0.006 0.000 1.014 332 R HN 0.515 nan 8.270 nan 0.000 0.503 333 G N 1.855 110.654 108.800 -0.002 0.000 2.147 333 G HA2 -0.288 3.664 3.960 -0.013 0.000 0.244 333 G HA3 -0.288 3.664 3.960 -0.013 0.000 0.244 333 G C -0.359 174.542 174.900 0.001 0.000 1.005 333 G CA -0.043 45.058 45.100 0.001 0.000 0.713 333 G HN 0.367 nan 8.290 nan 0.000 0.515 334 E N -0.351 119.859 120.200 0.016 0.000 2.313 334 E HA 0.518 4.860 4.350 -0.013 0.000 0.276 334 E C 0.563 177.183 176.600 0.033 0.000 1.031 334 E CA -0.381 56.039 56.400 0.034 0.000 0.857 334 E CB 1.012 30.741 29.700 0.049 0.000 1.040 334 E HN 0.349 nan 8.360 nan 0.000 0.408 335 L N 4.536 125.786 121.223 0.044 0.000 2.289 335 L HA 0.361 4.693 4.340 -0.013 0.000 0.285 335 L C -2.080 174.874 176.870 0.140 0.000 1.049 335 L CA -2.262 52.586 54.840 0.012 0.000 0.804 335 L CB 0.677 42.661 42.059 -0.125 0.000 1.195 335 L HN 0.274 nan 8.230 nan 0.000 0.428 336 P HA 0.026 nan 4.420 nan 0.000 0.264 336 P C -0.374 177.114 177.300 0.313 0.000 1.193 336 P CA -0.205 63.005 63.100 0.182 0.000 0.763 336 P CB 0.585 32.374 31.700 0.148 0.000 0.810 337 S N 1.960 117.795 115.700 0.224 0.000 2.576 337 S HA 0.379 4.841 4.470 -0.013 0.000 0.272 337 S C 1.303 175.978 174.600 0.124 0.000 1.352 337 S CA 0.203 58.512 58.200 0.182 0.000 1.021 337 S CB 0.170 63.425 63.200 0.091 0.000 0.887 337 S HN 0.986 nan 8.310 nan 0.000 0.542 338 G N 1.393 110.180 108.800 -0.022 0.000 2.157 338 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.248 338 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.248 338 G C 0.671 175.535 174.900 -0.059 0.000 0.979 338 G CA 0.442 45.501 45.100 -0.068 0.000 0.650 338 G HN 1.078 nan 8.290 nan 0.000 0.529 339 W N 0.177 121.486 121.300 0.015 0.000 2.409 339 W HA 0.118 4.770 4.660 -0.014 0.000 0.299 339 W C 1.534 178.056 176.519 0.005 0.000 1.203 339 W CA 1.220 58.569 57.345 0.008 0.000 1.298 339 W CB -0.815 28.650 29.460 0.008 0.000 1.127 339 W HN 0.431 nan 8.180 nan 0.000 0.528 340 E N 1.466 121.075 120.200 -0.985 0.000 2.085 340 E HA -0.169 4.173 4.350 -0.013 0.000 0.194 340 E C 2.481 178.914 176.600 -0.277 0.000 0.994 340 E CA 1.918 57.865 56.400 -0.756 0.000 0.801 340 E CB -0.334 28.684 29.700 -1.135 0.000 0.743 340 E HN 0.191 nan 8.360 nan 0.000 0.453 341 A N 0.736 123.404 122.820 -0.255 0.000 2.125 341 A HA -0.149 4.163 4.320 -0.013 0.000 0.219 341 A C 1.784 179.336 177.584 -0.054 0.000 1.156 341 A CA 1.136 53.096 52.037 -0.128 0.000 0.671 341 A CB -0.202 18.729 19.000 -0.115 0.000 0.794 341 A HN 0.137 nan 8.150 nan 0.000 0.459 342 K N -0.583 119.803 120.400 -0.023 0.000 2.418 342 K HA 0.219 4.531 4.320 -0.013 0.000 0.195 342 K C -0.112 176.506 176.600 0.031 0.000 1.035 342 K CA -0.143 56.156 56.287 0.020 0.000 1.003 342 K CB -0.103 32.430 32.500 0.055 0.000 0.793 342 K HN 0.423 nan 8.250 nan 0.000 0.494 343 L N 2.514 123.760 121.223 0.038 0.000 2.461 343 L HA 0.090 4.422 4.340 -0.013 0.000 0.272 343 L C -2.089 174.800 176.870 0.032 0.000 1.197 343 L CA -1.910 52.958 54.840 0.047 0.000 0.836 343 L CB -0.168 41.940 42.059 0.083 0.000 1.105 343 L HN -0.139 nan 8.230 nan 0.000 0.477 344 P HA 0.171 nan 4.420 nan 0.000 0.272 344 P C -0.706 176.617 177.300 0.039 0.000 1.230 344 P CA -0.354 62.764 63.100 0.031 0.000 0.788 344 P CB 0.831 32.549 31.700 0.030 0.000 0.949 345 T N -1.792 112.781 114.554 0.033 0.000 2.907 345 T HA 0.417 4.759 4.350 -0.013 0.000 0.290 345 T C 0.038 174.759 174.700 0.035 0.000 1.066 345 T CA -1.077 61.045 62.100 0.035 0.000 1.012 345 T CB 0.494 69.378 68.868 0.026 0.000 1.184 345 T HN 0.113 nan 8.240 nan 0.000 0.522 346 N N 1.258 119.980 118.700 0.037 0.000 2.292 346 N HA 0.203 4.935 4.740 -0.013 0.000 0.242 346 N C 0.811 176.336 175.510 0.025 0.000 1.243 346 N CA 0.736 53.806 53.050 0.033 0.000 0.851 346 N CB 0.726 39.233 38.487 0.033 0.000 1.093 346 N HN 0.946 nan 8.380 nan 0.000 0.450 347 S N -0.421 115.293 115.700 0.022 0.000 4.659 347 S HA 0.265 4.727 4.470 -0.013 0.000 0.164 347 S C -0.101 174.507 174.600 0.014 0.000 1.222 347 S CA -0.523 57.688 58.200 0.017 0.000 1.108 347 S CB 0.152 63.363 63.200 0.018 0.000 2.063 347 S HN 0.347 nan 8.310 nan 0.000 0.747 348 S N 1.703 117.412 115.700 0.014 0.000 2.646 348 S HA 0.802 5.264 4.470 -0.013 0.000 0.276 348 S C 0.098 174.705 174.600 0.011 0.000 1.222 348 S CA -0.145 58.061 58.200 0.011 0.000 1.014 348 S CB 1.112 64.318 63.200 0.011 0.000 0.991 348 S HN 1.022 nan 8.310 nan 0.000 0.533 349 A N 2.127 124.950 122.820 0.005 0.000 2.491 349 A HA 0.538 4.851 4.320 -0.013 0.000 0.261 349 A C 0.174 177.761 177.584 0.006 0.000 1.101 349 A CA -0.257 51.782 52.037 0.002 0.000 0.772 349 A CB -0.890 18.105 19.000 -0.008 0.000 1.043 349 A HN 0.796 nan 8.150 nan 0.000 0.501 350 I N -1.314 119.263 120.570 0.012 0.000 3.191 350 I HA 0.831 4.993 4.170 -0.013 0.000 0.313 350 I C 0.060 176.188 176.117 0.019 0.000 1.193 350 I CA -1.426 59.885 61.300 0.018 0.000 0.968 350 I CB 1.895 39.913 38.000 0.030 0.000 1.262 350 I HN 0.585 nan 8.210 nan 0.000 0.456 351 A N 1.136 123.970 122.820 0.024 0.000 2.388 351 A HA 0.446 4.758 4.320 -0.013 0.000 0.257 351 A C 1.155 178.768 177.584 0.049 0.000 1.095 351 A CA 0.223 52.274 52.037 0.024 0.000 0.791 351 A CB 0.237 19.247 19.000 0.017 0.000 1.029 351 A HN 0.945 nan 8.150 nan 0.000 0.489 352 T N -0.181 114.406 114.554 0.055 0.000 3.051 352 T HA -0.161 4.181 4.350 -0.013 0.000 0.269 352 T C 1.629 176.396 174.700 0.112 0.000 1.127 352 T CA 1.300 63.449 62.100 0.083 0.000 1.107 352 T CB -0.320 68.597 68.868 0.082 0.000 0.898 352 T HN 0.745 nan 8.240 nan 0.000 0.517 353 R N 1.239 121.802 120.500 0.105 0.000 2.075 353 R HA -0.039 4.293 4.340 -0.013 0.000 0.232 353 R C 2.404 178.789 176.300 0.142 0.000 1.126 353 R CA 1.433 57.619 56.100 0.143 0.000 0.963 353 R CB -0.198 30.182 30.300 0.134 0.000 0.858 353 R HN 0.302 nan 8.270 nan 0.000 0.435 354 K N 0.362 120.827 120.400 0.107 0.000 2.155 354 K HA 0.068 4.380 4.320 -0.013 0.000 0.203 354 K C 1.758 178.413 176.600 0.091 0.000 1.052 354 K CA 1.342 57.686 56.287 0.094 0.000 0.948 354 K CB -0.172 32.370 32.500 0.070 0.000 0.728 354 K HN 0.287 nan 8.250 nan 0.000 0.448 355 A N -0.169 122.709 122.820 0.097 0.000 1.972 355 A HA -0.149 4.163 4.320 -0.013 0.000 0.219 355 A C 2.253 179.915 177.584 0.130 0.000 1.169 355 A CA 2.089 54.186 52.037 0.100 0.000 0.635 355 A CB -0.959 18.104 19.000 0.105 0.000 0.810 355 A HN 0.414 nan 8.150 nan 0.000 0.446 356 S N -0.769 115.039 115.700 0.181 0.000 2.383 356 S HA -0.184 4.278 4.470 -0.013 0.000 0.227 356 S C 2.006 176.671 174.600 0.108 0.000 1.026 356 S CA 1.512 59.878 58.200 0.276 0.000 0.981 356 S CB -0.325 63.097 63.200 0.371 0.000 0.818 356 S HN 0.671 nan 8.310 nan 0.000 0.472 357 E N 0.682 120.943 120.200 0.102 0.000 2.077 357 E HA -0.175 4.167 4.350 -0.013 0.000 0.193 357 E C 1.682 178.287 176.600 0.009 0.000 0.989 357 E CA 1.336 57.775 56.400 0.064 0.000 0.800 357 E CB -0.205 29.550 29.700 0.092 0.000 0.746 357 E HN 0.502 nan 8.360 nan 0.000 0.452 358 N N 0.382 119.094 118.700 0.020 0.000 2.205 358 N HA -0.155 4.577 4.740 -0.013 0.000 0.186 358 N C 1.887 177.367 175.510 -0.050 0.000 1.015 358 N CA 1.238 54.290 53.050 0.003 0.000 0.862 358 N CB -0.656 37.845 38.487 0.024 0.000 0.986 358 N HN 0.292 nan 8.380 nan 0.000 0.429 359 C N 0.615 119.849 119.300 -0.110 0.000 2.466 359 C HA 0.085 4.537 4.460 -0.013 0.000 0.278 359 C C 2.772 177.511 174.990 -0.420 0.000 1.288 359 C CA 0.010 58.873 59.018 -0.258 0.000 1.722 359 C CB -1.138 26.366 27.740 -0.394 0.000 2.017 359 C HN 0.403 nan 8.230 nan 0.000 0.488 360 L N 1.088 122.034 121.223 -0.461 0.000 2.201 360 L HA -0.096 4.236 4.340 -0.013 0.000 0.212 360 L C 2.794 179.620 176.870 -0.074 0.000 1.105 360 L CA 1.216 55.794 54.840 -0.436 0.000 0.775 360 L CB -0.605 41.272 42.059 -0.303 0.000 0.913 360 L HN 0.326 nan 8.230 nan 0.000 0.440 361 A N -0.579 122.228 122.820 -0.020 0.000 2.019 361 A HA -0.102 4.210 4.320 -0.013 0.000 0.219 361 A C 2.237 179.842 177.584 0.035 0.000 1.164 361 A CA 1.516 53.582 52.037 0.048 0.000 0.644 361 A CB -0.392 18.624 19.000 0.027 0.000 0.805 361 A HN 0.229 nan 8.150 nan 0.000 0.449 362 V N -0.517 119.384 119.914 -0.022 0.000 2.575 362 V HA -0.064 4.048 4.120 -0.013 0.000 0.242 362 V C 2.415 178.503 176.094 -0.010 0.000 1.045 362 V CA 1.187 63.486 62.300 -0.003 0.000 1.065 362 V CB -0.524 31.296 31.823 -0.005 0.000 0.717 362 V HN 0.529 nan 8.190 nan 0.000 0.467 363 L N -1.191 119.958 121.223 -0.123 0.000 2.056 363 L HA -0.130 4.202 4.340 -0.013 0.000 0.207 363 L C 2.406 179.197 176.870 -0.132 0.000 1.078 363 L CA 1.765 56.487 54.840 -0.196 0.000 0.749 363 L CB -0.625 41.145 42.059 -0.482 0.000 0.901 363 L HN 0.237 nan 8.230 nan 0.000 0.433 364 F N 0.706 120.614 119.950 -0.070 0.000 2.069 364 F HA -0.181 4.338 4.527 -0.013 0.000 0.298 364 F C 0.024 175.833 175.800 0.015 0.000 1.113 364 F CA 1.777 59.778 58.000 0.001 0.000 1.214 364 F CB -1.338 37.679 39.000 0.028 0.000 0.978 364 F HN 0.143 nan 8.300 nan 0.000 0.474 365 P HA -0.082 nan 4.420 nan 0.000 0.220 365 P C 1.020 178.382 177.300 0.104 0.000 1.152 365 P CA 1.880 65.061 63.100 0.134 0.000 0.812 365 P CB -0.132 31.626 31.700 0.097 0.000 0.792 366 A N -0.315 122.559 122.820 0.089 0.000 2.067 366 A HA 0.096 4.408 4.320 -0.013 0.000 0.217 366 A C 1.498 179.126 177.584 0.072 0.000 1.156 366 A CA 0.584 52.678 52.037 0.095 0.000 0.683 366 A CB -0.649 18.427 19.000 0.127 0.000 0.808 366 A HN 0.170 nan 8.150 nan 0.000 0.455 367 I N 0.812 121.401 120.570 0.031 0.000 2.668 367 I HA 0.199 4.361 4.170 -0.013 0.000 0.276 367 I C -1.826 174.326 176.117 0.059 0.000 1.139 367 I CA -1.735 59.560 61.300 -0.008 0.000 1.133 367 I CB 1.905 39.821 38.000 -0.140 0.000 1.327 367 I HN 0.038 nan 8.210 nan 0.000 0.520 368 P HA -0.204 nan 4.420 nan 0.000 0.220 368 P C 1.289 178.691 177.300 0.169 0.000 1.144 368 P CA 1.122 64.306 63.100 0.140 0.000 0.800 368 P CB 0.418 32.188 31.700 0.116 0.000 0.772 369 A N -0.677 122.223 122.820 0.134 0.000 2.119 369 A HA 0.007 4.319 4.320 -0.013 0.000 0.216 369 A C 1.186 178.841 177.584 0.117 0.000 1.152 369 A CA -0.002 52.120 52.037 0.141 0.000 0.708 369 A CB -1.098 17.958 19.000 0.093 0.000 0.805 369 A HN 0.202 nan 8.150 nan 0.000 0.460 370 L N 0.216 121.493 121.223 0.091 0.000 2.499 370 L HA 0.361 4.694 4.340 -0.013 0.000 0.273 370 L C -0.107 176.865 176.870 0.169 0.000 1.195 370 L CA 0.952 55.834 54.840 0.069 0.000 0.882 370 L CB 0.425 42.429 42.059 -0.092 0.000 1.133 370 L HN 0.473 nan 8.230 nan 0.000 0.483 371 M N 4.574 124.221 119.600 0.079 0.000 2.322 371 M HA 0.679 5.151 4.480 -0.013 0.000 0.286 371 M C -0.665 175.451 176.300 -0.305 0.000 1.111 371 M CA -0.136 55.145 55.300 -0.031 0.000 0.941 371 M CB 1.829 34.309 32.600 -0.200 0.000 1.671 371 M HN 0.692 nan 8.290 nan 0.000 0.470 372 G N 1.657 110.155 108.800 -0.503 0.000 2.619 372 G HA2 0.861 4.813 3.960 -0.013 0.000 0.305 372 G HA3 0.861 4.813 3.960 -0.013 0.000 0.305 372 G C -1.281 173.115 174.900 -0.840 0.000 1.330 372 G CA -0.159 44.203 45.100 -1.230 0.000 0.789 372 G HN 1.102 nan 8.290 nan 0.000 0.487 373 G N -1.599 106.791 108.800 -0.683 0.000 2.427 373 G HA2 0.670 4.622 3.960 -0.013 0.000 0.306 373 G HA3 0.670 4.622 3.960 -0.013 0.000 0.306 373 G C -1.308 173.609 174.900 0.027 0.000 1.280 373 G CA 0.765 45.446 45.100 -0.698 0.000 0.837 373 G HN 1.625 nan 8.290 nan 0.000 0.482 374 S N -1.635 114.139 115.700 0.124 0.000 2.599 374 S HA 0.690 5.152 4.470 -0.013 0.000 0.287 374 S C -0.088 174.648 174.600 0.227 0.000 1.105 374 S CA 0.429 58.773 58.200 0.240 0.000 0.899 374 S CB 1.541 64.917 63.200 0.294 0.000 1.100 374 S HN 1.956 nan 8.310 nan 0.000 0.482 375 A N 2.746 125.627 122.820 0.102 0.000 3.056 375 A HA 0.472 4.784 4.320 -0.013 0.000 0.274 375 A C 0.388 177.963 177.584 -0.016 0.000 1.661 375 A CA 0.301 52.368 52.037 0.050 0.000 1.363 375 A CB -1.480 17.488 19.000 -0.052 0.000 1.139 375 A HN 1.175 nan 8.150 nan 0.000 0.598 376 D N -0.287 120.134 120.400 0.035 0.000 2.800 376 D HA -0.166 4.466 4.640 -0.013 0.000 0.232 376 D C -0.099 176.181 176.300 -0.034 0.000 1.137 376 D CA 1.330 55.332 54.000 0.003 0.000 0.718 376 D CB -1.475 39.303 40.800 -0.037 0.000 1.084 376 D HN 0.495 nan 8.370 nan 0.000 0.432 377 L N -0.390 120.831 121.223 -0.005 0.000 3.431 377 L HA 0.206 4.538 4.340 -0.013 0.000 0.316 377 L C 1.817 178.752 176.870 0.109 0.000 1.305 377 L CA -0.039 54.779 54.840 -0.037 0.000 0.995 377 L CB 0.396 42.302 42.059 -0.254 0.000 1.411 377 L HN -0.019 nan 8.230 nan 0.000 0.610 378 T N 1.457 116.113 114.554 0.170 0.000 2.635 378 T HA -0.109 4.233 4.350 -0.013 0.000 0.267 378 T C -0.552 174.254 174.700 0.177 0.000 1.040 378 T CA 1.851 64.093 62.100 0.236 0.000 1.156 378 T CB -0.758 68.250 68.868 0.233 0.000 0.863 378 T HN 0.305 nan 8.240 nan 0.000 0.430 379 P HA 0.127 nan 4.420 nan 0.000 0.230 379 P C 1.073 178.480 177.300 0.178 0.000 1.158 379 P CA 0.900 64.078 63.100 0.129 0.000 0.769 379 P CB 0.101 31.861 31.700 0.100 0.000 0.807 380 S N -0.290 115.541 115.700 0.217 0.000 2.460 380 S HA 0.077 4.539 4.470 -0.013 0.000 0.226 380 S C 1.716 176.552 174.600 0.393 0.000 1.057 380 S CA 0.331 58.730 58.200 0.331 0.000 0.948 380 S CB -0.506 62.920 63.200 0.377 0.000 0.822 380 S HN 0.291 nan 8.310 nan 0.000 0.512 381 N N 1.287 120.181 118.700 0.323 0.000 2.409 381 N HA 0.208 4.940 4.740 -0.013 0.000 0.179 381 N C -0.353 175.335 175.510 0.297 0.000 1.032 381 N CA 0.212 53.464 53.050 0.337 0.000 0.898 381 N CB -0.056 38.617 38.487 0.311 0.000 0.971 381 N HN 0.144 nan 8.380 nan 0.000 0.441 382 L N 0.818 122.195 121.223 0.257 0.000 3.597 382 L HA -0.193 4.139 4.340 -0.013 0.000 0.440 382 L C 0.479 177.494 176.870 0.241 0.000 1.277 382 L CA 0.182 55.147 54.840 0.209 0.000 0.852 382 L CB -2.256 39.911 42.059 0.180 0.000 1.708 382 L HN 0.374 nan 8.230 nan 0.000 0.885 383 T N -3.955 110.796 114.554 0.328 0.000 3.086 383 T HA 0.114 4.456 4.350 -0.013 0.000 0.250 383 T C 0.935 175.941 174.700 0.509 0.000 1.074 383 T CA -0.002 62.392 62.100 0.489 0.000 0.988 383 T CB 0.231 69.540 68.868 0.735 0.000 0.988 383 T HN 0.465 nan 8.240 nan 0.000 0.530 384 R N 2.399 122.993 120.500 0.157 0.000 2.629 384 R HA 0.285 4.617 4.340 -0.013 0.000 0.277 384 R C -2.791 173.459 176.300 -0.084 0.000 1.637 384 R CA -1.834 54.166 56.100 -0.166 0.000 1.663 384 R CB 0.851 30.709 30.300 -0.735 0.000 1.228 384 R HN 0.172 nan 8.270 nan 0.000 0.632 385 P HA -0.022 nan 4.420 nan 0.000 0.261 385 P C 0.599 177.876 177.300 -0.038 0.000 1.203 385 P CA 0.297 63.409 63.100 0.021 0.000 0.767 385 P CB 1.481 33.226 31.700 0.076 0.000 0.785 386 A N 4.771 127.568 122.820 -0.038 0.000 1.917 386 A HA -0.242 4.070 4.320 -0.013 0.000 0.219 386 A C 2.308 179.867 177.584 -0.040 0.000 1.182 386 A CA 2.459 54.466 52.037 -0.050 0.000 0.633 386 A CB -1.577 17.405 19.000 -0.030 0.000 0.819 386 A HN 0.645 nan 8.150 nan 0.000 0.448 387 S N 0.008 115.698 115.700 -0.017 0.000 2.440 387 S HA 0.030 4.492 4.470 -0.013 0.000 0.238 387 S C 1.863 176.456 174.600 -0.011 0.000 1.010 387 S CA 1.269 59.465 58.200 -0.008 0.000 0.972 387 S CB -0.627 62.577 63.200 0.007 0.000 0.774 387 S HN 1.014 nan 8.310 nan 0.000 0.501 388 A N 1.945 124.752 122.820 -0.021 0.000 2.119 388 A HA 0.079 4.391 4.320 -0.013 0.000 0.217 388 A C 0.889 178.423 177.584 -0.083 0.000 1.153 388 A CA 0.524 52.542 52.037 -0.033 0.000 0.692 388 A CB -0.669 18.300 19.000 -0.052 0.000 0.799 388 A HN 0.577 nan 8.150 nan 0.000 0.458 389 N N -0.643 118.004 118.700 -0.088 0.000 2.714 389 N HA -0.144 4.588 4.740 -0.013 0.000 0.253 389 N C -0.522 174.914 175.510 -0.123 0.000 1.024 389 N CA 0.846 53.844 53.050 -0.087 0.000 0.726 389 N CB -1.505 36.951 38.487 -0.052 0.000 0.908 389 N HN 0.544 nan 8.380 nan 0.000 0.542 390 L N -0.141 120.965 121.223 -0.194 0.000 2.464 390 L HA 0.374 4.706 4.340 -0.013 0.000 0.264 390 L C 0.917 177.704 176.870 -0.139 0.000 1.199 390 L CA -0.341 54.357 54.840 -0.236 0.000 0.818 390 L CB 0.788 42.607 42.059 -0.400 0.000 1.102 390 L HN -0.142 nan 8.230 nan 0.000 0.473 391 V N 0.572 120.434 119.914 -0.087 0.000 2.540 391 V HA 0.235 4.347 4.120 -0.013 0.000 0.302 391 V C -0.653 175.451 176.094 0.017 0.000 1.035 391 V CA -0.952 61.326 62.300 -0.037 0.000 0.873 391 V CB 1.861 33.669 31.823 -0.024 0.000 0.992 391 V HN 0.602 nan 8.190 nan 0.000 0.428 392 D N 2.805 123.225 120.400 0.033 0.000 2.414 392 D HA 0.170 4.802 4.640 -0.013 0.000 0.242 392 D C -0.251 176.084 176.300 0.059 0.000 1.129 392 D CA 0.098 54.154 54.000 0.092 0.000 0.885 392 D CB 0.813 41.664 40.800 0.085 0.000 1.198 392 D HN 0.400 nan 8.370 nan 0.000 0.437 393 F N 2.146 122.054 119.950 -0.070 0.000 2.495 393 F HA 0.270 4.790 4.527 -0.013 0.000 0.365 393 F C 0.431 176.170 175.800 -0.101 0.000 1.090 393 F CA -0.023 57.917 58.000 -0.100 0.000 1.235 393 F CB 0.354 39.245 39.000 -0.183 0.000 1.119 393 F HN 0.268 nan 8.300 nan 0.000 0.562 394 S N 2.117 117.354 115.700 -0.771 0.000 2.615 394 S HA 0.273 4.735 4.470 -0.013 0.000 0.269 394 S C 0.355 174.548 174.600 -0.678 0.000 1.161 394 S CA -0.243 57.617 58.200 -0.567 0.000 0.817 394 S CB 0.835 63.867 63.200 -0.281 0.000 1.131 394 S HN 0.839 nan 8.310 nan 0.000 0.467 395 S N 0.777 116.193 115.700 -0.474 0.000 2.442 395 S HA -0.090 4.372 4.470 -0.013 0.000 0.236 395 S C 1.494 175.917 174.600 -0.294 0.000 1.007 395 S CA 1.317 59.294 58.200 -0.372 0.000 0.965 395 S CB -0.931 62.099 63.200 -0.283 0.000 0.773 395 S HN 1.513 nan 8.310 nan 0.000 0.504 396 S N 0.582 116.123 115.700 -0.266 0.000 2.540 396 S HA 0.325 4.787 4.470 -0.013 0.000 0.218 396 S C 0.574 175.063 174.600 -0.185 0.000 0.977 396 S CA 0.012 58.099 58.200 -0.190 0.000 0.918 396 S CB -0.028 63.087 63.200 -0.142 0.000 0.806 396 S HN 0.740 nan 8.310 nan 0.000 0.496 397 S N 0.107 115.654 115.700 -0.255 0.000 2.680 397 S HA 0.394 4.856 4.470 -0.013 0.000 0.153 397 S C 0.079 174.516 174.600 -0.273 0.000 1.224 397 S CA -0.880 57.198 58.200 -0.202 0.000 1.197 397 S CB 0.135 63.250 63.200 -0.141 0.000 1.634 397 S HN 0.237 nan 8.310 nan 0.000 0.422 398 K N 1.678 121.895 120.400 -0.304 0.000 2.360 398 K HA -0.107 4.205 4.320 -0.013 0.000 0.201 398 K C 1.895 178.607 176.600 0.186 0.000 1.046 398 K CA 1.441 57.571 56.287 -0.263 0.000 0.940 398 K CB -0.020 32.406 32.500 -0.124 0.000 0.748 398 K HN 0.695 nan 8.250 nan 0.000 0.465 399 E N 1.013 121.264 120.200 0.085 0.000 2.502 399 E HA -0.028 4.314 4.350 -0.013 0.000 0.194 399 E C 0.633 177.402 176.600 0.282 0.000 1.062 399 E CA 0.185 56.659 56.400 0.125 0.000 0.867 399 E CB -0.286 29.397 29.700 -0.028 0.000 0.888 399 E HN 0.138 nan 8.360 nan 0.000 0.510 400 G N 1.144 110.086 108.800 0.237 0.000 2.491 400 G HA2 0.087 4.039 3.960 -0.013 0.000 0.238 400 G HA3 0.087 4.039 3.960 -0.013 0.000 0.238 400 G C 0.391 175.413 174.900 0.204 0.000 1.277 400 G CA -0.566 44.641 45.100 0.180 0.000 0.851 400 G HN 0.136 nan 8.290 nan 0.000 0.573 401 R N 0.154 120.706 120.500 0.088 0.000 2.437 401 R HA 0.086 4.418 4.340 -0.013 0.000 0.257 401 R C -0.709 175.594 176.300 0.004 0.000 0.927 401 R CA -0.233 55.858 56.100 -0.016 0.000 1.078 401 R CB 0.573 30.934 30.300 0.102 0.000 1.161 401 R HN 0.566 nan 8.270 nan 0.000 0.529 402 Y N 1.110 121.348 120.300 -0.103 0.000 2.328 402 Y HA 0.409 4.951 4.550 -0.013 0.000 0.337 402 Y C -0.471 175.359 175.900 -0.115 0.000 0.966 402 Y CA -1.038 57.002 58.100 -0.099 0.000 1.136 402 Y CB 0.748 39.151 38.460 -0.094 0.000 1.170 402 Y HN -0.130 nan 8.280 nan 0.000 0.470 403 I N 6.942 127.104 120.570 -0.680 0.000 2.336 403 I HA 0.390 4.552 4.170 -0.013 0.000 0.292 403 I C -0.237 175.409 176.117 -0.785 0.000 0.991 403 I CA -0.902 59.965 61.300 -0.722 0.000 1.227 403 I CB 0.836 38.158 38.000 -1.130 0.000 1.366 403 I HN 0.379 nan 8.210 nan 0.000 0.466 404 R N 6.259 126.513 120.500 -0.409 0.000 2.408 404 R HA 0.207 4.539 4.340 -0.013 0.000 0.308 404 R C 0.228 176.399 176.300 -0.216 0.000 1.210 404 R CA -0.204 55.785 56.100 -0.185 0.000 1.115 404 R CB -0.079 30.216 30.300 -0.010 0.000 1.127 404 R HN 0.614 nan 8.270 nan 0.000 0.523 405 F N 0.779 120.680 119.950 -0.081 0.000 2.502 405 F HA 0.009 4.528 4.527 -0.013 0.000 0.298 405 F C 1.880 177.651 175.800 -0.050 0.000 1.111 405 F CA 1.034 58.998 58.000 -0.061 0.000 1.445 405 F CB 0.037 38.992 39.000 -0.074 0.000 1.081 405 F HN 0.736 nan 8.300 nan 0.000 0.558 406 G N -0.008 108.850 108.800 0.097 0.000 2.782 406 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.228 406 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.228 406 G C -0.405 174.508 174.900 0.021 0.000 1.372 406 G CA -0.607 44.508 45.100 0.024 0.000 0.862 406 G HN 0.024 nan 8.290 nan 0.000 0.547 407 V N 1.257 121.154 119.914 -0.029 0.000 1.956 407 V HA 0.332 4.444 4.120 -0.013 0.000 0.248 407 V C 1.070 177.137 176.094 -0.045 0.000 1.615 407 V CA 1.021 63.275 62.300 -0.076 0.000 1.558 407 V CB -1.048 30.707 31.823 -0.114 0.000 1.529 407 V HN 0.534 nan 8.190 nan 0.000 0.505 408 R N 1.427 121.923 120.500 -0.006 0.000 2.644 408 R HA 0.313 4.645 4.340 -0.013 0.000 0.271 408 R C 0.336 176.641 176.300 0.008 0.000 1.687 408 R CA -0.411 55.706 56.100 0.029 0.000 1.655 408 R CB 0.851 31.193 30.300 0.070 0.000 1.285 408 R HN 0.357 nan 8.270 nan 0.000 0.643 409 E N 0.404 120.599 120.200 -0.007 0.000 2.058 409 E HA -0.230 4.112 4.350 -0.013 0.000 0.194 409 E C 1.478 178.112 176.600 0.058 0.000 0.997 409 E CA 1.561 57.953 56.400 -0.013 0.000 0.801 409 E CB -0.094 29.603 29.700 -0.005 0.000 0.746 409 E HN 0.537 nan 8.360 nan 0.000 0.450 410 H N -0.669 118.409 119.070 0.013 0.000 2.293 410 H HA -0.078 4.470 4.556 -0.014 0.000 0.300 410 H C 2.002 177.315 175.328 -0.026 0.000 1.082 410 H CA 0.998 57.047 56.048 0.002 0.000 1.308 410 H CB 0.061 29.832 29.762 0.016 0.000 1.375 410 H HN 0.244 nan 8.280 nan 0.000 0.495 411 A N 1.015 123.875 122.820 0.067 0.000 1.933 411 A HA -0.212 4.100 4.320 -0.013 0.000 0.218 411 A C 2.483 180.046 177.584 -0.034 0.000 1.175 411 A CA 1.618 53.648 52.037 -0.011 0.000 0.628 411 A CB -0.782 18.235 19.000 0.027 0.000 0.814 411 A HN 0.633 nan 8.150 nan 0.000 0.444 412 M N -0.553 118.970 119.600 -0.128 0.000 2.065 412 M HA -0.216 4.256 4.480 -0.013 0.000 0.259 412 M C 2.146 178.240 176.300 -0.344 0.000 1.069 412 M CA 2.413 57.406 55.300 -0.512 0.000 1.110 412 M CB -0.484 31.604 32.600 -0.854 0.000 1.328 412 M HN 0.450 nan 8.290 nan 0.000 0.405 413 C N 0.721 119.949 119.300 -0.120 0.000 2.425 413 C HA -0.016 4.436 4.460 -0.013 0.000 0.277 413 C C 3.021 178.033 174.990 0.036 0.000 1.280 413 C CA 0.943 59.988 59.018 0.045 0.000 1.744 413 C CB -1.626 26.210 27.740 0.160 0.000 1.989 413 C HN 0.759 nan 8.230 nan 0.000 0.491 414 A N 0.182 123.012 122.820 0.016 0.000 1.968 414 A HA -0.019 4.293 4.320 -0.013 0.000 0.217 414 A C 1.993 179.549 177.584 -0.047 0.000 1.169 414 A CA 1.190 53.221 52.037 -0.011 0.000 0.638 414 A CB -0.502 18.468 19.000 -0.050 0.000 0.812 414 A HN 0.587 nan 8.150 nan 0.000 0.446 415 I N -0.154 120.391 120.570 -0.042 0.000 2.315 415 I HA -0.228 3.934 4.170 -0.013 0.000 0.248 415 I C 2.213 178.293 176.117 -0.061 0.000 1.117 415 I CA 0.848 62.136 61.300 -0.020 0.000 1.404 415 I CB -0.224 37.831 38.000 0.091 0.000 1.071 415 I HN 0.297 nan 8.210 nan 0.000 0.419 416 L N 0.426 121.594 121.223 -0.093 0.000 2.079 416 L HA -0.239 4.093 4.340 -0.013 0.000 0.210 416 L C 2.237 178.993 176.870 -0.189 0.000 1.081 416 L CA 1.210 55.972 54.840 -0.129 0.000 0.752 416 L CB -0.822 41.142 42.059 -0.159 0.000 0.896 416 L HN 0.357 nan 8.230 nan 0.000 0.433 417 N N 0.466 119.036 118.700 -0.218 0.000 2.142 417 N HA -0.122 4.610 4.740 -0.013 0.000 0.186 417 N C 1.882 177.115 175.510 -0.462 0.000 1.023 417 N CA 1.534 54.290 53.050 -0.490 0.000 0.852 417 N CB -0.580 37.716 38.487 -0.319 0.000 0.998 417 N HN 0.348 nan 8.380 nan 0.000 0.424 418 G N 1.472 110.143 108.800 -0.215 0.000 2.418 418 G HA2 -0.153 3.799 3.960 -0.013 0.000 0.217 418 G HA3 -0.153 3.799 3.960 -0.013 0.000 0.217 418 G C 1.709 176.555 174.900 -0.090 0.000 1.158 418 G CA 0.314 45.340 45.100 -0.123 0.000 0.771 418 G HN 0.215 nan 8.290 nan 0.000 0.545 419 L N 0.338 121.496 121.223 -0.107 0.000 2.042 419 L HA -0.094 4.238 4.340 -0.013 0.000 0.210 419 L C 2.550 179.395 176.870 -0.043 0.000 1.076 419 L CA 1.664 56.454 54.840 -0.084 0.000 0.749 419 L CB -0.344 41.647 42.059 -0.114 0.000 0.893 419 L HN 0.254 nan 8.230 nan 0.000 0.432 420 D N -0.123 120.217 120.400 -0.100 0.000 2.117 420 D HA -0.150 4.482 4.640 -0.013 0.000 0.198 420 D C 2.134 178.456 176.300 0.037 0.000 0.982 420 D CA 1.159 55.136 54.000 -0.038 0.000 0.828 420 D CB 0.138 40.895 40.800 -0.070 0.000 0.967 420 D HN 0.229 nan 8.370 nan 0.000 0.464 421 A N -0.395 122.412 122.820 -0.021 0.000 2.070 421 A HA -0.218 4.094 4.320 -0.013 0.000 0.220 421 A C 2.147 179.762 177.584 0.053 0.000 1.159 421 A CA 1.445 53.525 52.037 0.072 0.000 0.656 421 A CB -0.952 18.078 19.000 0.050 0.000 0.800 421 A HN 0.486 nan 8.150 nan 0.000 0.453 422 H N -0.390 118.668 119.070 -0.020 0.000 2.333 422 H HA -0.002 4.547 4.556 -0.013 0.000 0.302 422 H C -0.666 174.652 175.328 -0.016 0.000 1.075 422 H CA 1.738 57.776 56.048 -0.016 0.000 1.348 422 H CB 0.134 29.893 29.762 -0.005 0.000 1.393 422 H HN 0.425 nan 8.280 nan 0.000 0.509 423 D N -3.011 117.485 120.400 0.159 0.000 10.686 423 D HA -0.041 4.591 4.640 -0.013 0.000 0.307 423 D C 0.746 177.144 176.300 0.163 0.000 3.131 423 D CA 1.268 55.325 54.000 0.095 0.000 2.839 423 D CB -1.197 39.592 40.800 -0.017 0.000 1.208 423 D HN 0.599 nan 8.370 nan 0.000 0.940 424 G N -0.111 108.730 108.800 0.067 0.000 2.175 424 G HA2 -0.187 3.765 3.960 -0.013 0.000 0.244 424 G HA3 -0.187 3.765 3.960 -0.013 0.000 0.244 424 G C 0.064 175.024 174.900 0.100 0.000 0.982 424 G CA 0.351 45.487 45.100 0.060 0.000 0.641 424 G HN 0.589 nan 8.290 nan 0.000 0.527 425 I N 0.720 121.337 120.570 0.078 0.000 2.647 425 I HA 0.535 4.697 4.170 -0.013 0.000 0.295 425 I C -0.080 176.054 176.117 0.028 0.000 1.078 425 I CA -1.282 60.051 61.300 0.054 0.000 1.048 425 I CB 1.846 39.850 38.000 0.007 0.000 1.239 425 I HN -0.015 nan 8.210 nan 0.000 0.421 426 I N 6.963 127.548 120.570 0.023 0.000 2.464 426 I HA 0.253 4.415 4.170 -0.013 0.000 0.277 426 I C -2.417 173.720 176.117 0.034 0.000 1.040 426 I CA -1.569 59.742 61.300 0.018 0.000 1.153 426 I CB 1.950 39.953 38.000 0.005 0.000 1.274 426 I HN 0.205 nan 8.210 nan 0.000 0.469 427 P HA 0.367 nan 4.420 nan 0.000 0.288 427 P C -1.172 176.151 177.300 0.039 0.000 1.267 427 P CA -0.215 62.862 63.100 -0.039 0.000 0.815 427 P CB 1.279 32.924 31.700 -0.093 0.000 0.989 428 F N 0.023 119.962 119.950 -0.018 0.000 2.613 428 F HA 0.858 5.377 4.527 -0.014 0.000 0.310 428 F C -1.058 174.756 175.800 0.024 0.000 1.085 428 F CA -1.107 56.882 58.000 -0.019 0.000 0.945 428 F CB 1.532 40.612 39.000 0.133 0.000 1.298 428 F HN 0.473 nan 8.300 nan 0.000 0.455 429 G N 0.232 109.168 108.800 0.228 0.000 2.682 429 G HA2 0.608 4.560 3.960 -0.013 0.000 0.300 429 G HA3 0.608 4.560 3.960 -0.013 0.000 0.300 429 G C -1.396 173.663 174.900 0.266 0.000 1.391 429 G CA -0.646 44.511 45.100 0.095 0.000 0.990 429 G HN 1.132 nan 8.290 nan 0.000 0.501 430 G N -0.977 107.981 108.800 0.263 0.000 2.453 430 G HA2 0.799 4.751 3.960 -0.013 0.000 0.323 430 G HA3 0.799 4.751 3.960 -0.013 0.000 0.323 430 G C -0.758 174.229 174.900 0.145 0.000 1.198 430 G CA -0.228 45.030 45.100 0.264 0.000 0.959 430 G HN 1.003 nan 8.290 nan 0.000 0.482 431 T N -0.942 113.697 114.554 0.142 0.000 2.676 431 T HA 0.431 4.773 4.350 -0.013 0.000 0.308 431 T C -1.556 173.261 174.700 0.194 0.000 1.740 431 T CA -0.645 61.487 62.100 0.053 0.000 0.982 431 T CB 0.434 69.316 68.868 0.023 0.000 1.724 431 T HN 0.258 nan 8.240 nan 0.000 0.497 432 F N 2.817 122.810 119.950 0.071 0.000 2.484 432 F HA 0.323 4.842 4.527 -0.013 0.000 0.360 432 F C 1.525 177.279 175.800 -0.076 0.000 1.101 432 F CA -1.275 56.712 58.000 -0.021 0.000 1.251 432 F CB 0.358 39.274 39.000 -0.141 0.000 1.132 432 F HN 0.524 nan 8.300 nan 0.000 0.570 433 L N 3.237 124.547 121.223 0.146 0.000 2.051 433 L HA -0.299 4.033 4.340 -0.013 0.000 0.214 433 L C 1.958 178.775 176.870 -0.090 0.000 1.076 433 L CA 1.989 56.845 54.840 0.028 0.000 0.758 433 L CB -1.097 40.985 42.059 0.038 0.000 0.890 433 L HN 0.712 nan 8.230 nan 0.000 0.433 434 N N -1.370 117.195 118.700 -0.226 0.000 2.348 434 N HA -0.191 4.541 4.740 -0.013 0.000 0.185 434 N C 1.104 176.373 175.510 -0.401 0.000 1.019 434 N CA 1.191 54.009 53.050 -0.386 0.000 0.880 434 N CB -0.166 37.961 38.487 -0.601 0.000 0.965 434 N HN 0.420 nan 8.380 nan 0.000 0.437 435 F N -0.382 119.537 119.950 -0.052 0.000 2.693 435 F HA 0.279 4.798 4.527 -0.014 0.000 0.303 435 F C 1.453 177.200 175.800 -0.088 0.000 1.097 435 F CA -0.445 57.460 58.000 -0.158 0.000 1.330 435 F CB -0.033 38.754 39.000 -0.354 0.000 1.067 435 F HN 0.060 nan 8.300 nan 0.000 0.565 436 I N 0.051 120.641 120.570 0.035 0.000 2.676 436 I HA -0.107 4.055 4.170 -0.013 0.000 0.259 436 I C 2.538 178.635 176.117 -0.034 0.000 1.194 436 I CA 1.041 62.312 61.300 -0.049 0.000 1.473 436 I CB -1.576 36.343 38.000 -0.137 0.000 1.096 436 I HN 0.198 nan 8.210 nan 0.000 0.443 437 G N -0.293 108.527 108.800 0.034 0.000 2.462 437 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.220 437 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.220 437 G C 1.489 176.431 174.900 0.070 0.000 1.121 437 G CA 0.328 45.450 45.100 0.038 0.000 0.758 437 G HN 0.280 nan 8.290 nan 0.000 0.559 438 Y N 0.510 120.766 120.300 -0.074 0.000 2.509 438 Y HA 0.276 4.818 4.550 -0.013 0.000 0.293 438 Y C 2.459 178.165 175.900 -0.323 0.000 1.133 438 Y CA 0.213 58.236 58.100 -0.129 0.000 1.283 438 Y CB 0.252 38.679 38.460 -0.054 0.000 1.001 438 Y HN 0.251 nan 8.280 nan 0.000 0.555 439 A N -1.365 121.358 122.820 -0.162 0.000 2.606 439 A HA 0.282 4.594 4.320 -0.013 0.000 0.290 439 A C 1.482 178.894 177.584 -0.287 0.000 1.174 439 A CA -0.228 51.604 52.037 -0.342 0.000 0.958 439 A CB -0.669 18.280 19.000 -0.085 0.000 1.194 439 A HN 0.360 nan 8.150 nan 0.000 0.526 440 L N -0.655 120.413 121.223 -0.258 0.000 2.265 440 L HA -0.132 4.200 4.340 -0.013 0.000 0.215 440 L C 2.606 179.407 176.870 -0.115 0.000 1.117 440 L CA 1.254 55.992 54.840 -0.171 0.000 0.782 440 L CB -0.292 41.682 42.059 -0.141 0.000 0.914 440 L HN 0.557 nan 8.230 nan 0.000 0.441 441 G N -0.427 108.292 108.800 -0.136 0.000 2.422 441 G HA2 -0.209 3.743 3.960 -0.013 0.000 0.218 441 G HA3 -0.209 3.743 3.960 -0.013 0.000 0.218 441 G C 1.713 176.698 174.900 0.142 0.000 1.146 441 G CA 0.797 45.932 45.100 0.059 0.000 0.769 441 G HN 0.476 nan 8.290 nan 0.000 0.547 442 A N -0.074 122.861 122.820 0.192 0.000 1.935 442 A HA 0.293 4.605 4.320 -0.013 0.000 0.214 442 A C 2.531 180.183 177.584 0.113 0.000 1.178 442 A CA 1.250 53.385 52.037 0.164 0.000 0.640 442 A CB -0.336 18.794 19.000 0.216 0.000 0.825 442 A HN 0.189 nan 8.150 nan 0.000 0.447 443 V N 0.411 120.348 119.914 0.039 0.000 2.332 443 V HA -0.281 3.831 4.120 -0.013 0.000 0.248 443 V C 2.622 178.740 176.094 0.040 0.000 1.055 443 V CA 2.354 64.661 62.300 0.012 0.000 1.038 443 V CB -0.840 30.871 31.823 -0.187 0.000 0.651 443 V HN 0.668 nan 8.190 nan 0.000 0.450 444 R N -0.254 120.250 120.500 0.006 0.000 2.091 444 R HA -0.149 4.183 4.340 -0.013 0.000 0.238 444 R C 2.247 178.558 176.300 0.020 0.000 1.136 444 R CA 1.636 57.736 56.100 0.000 0.000 0.959 444 R CB -0.277 30.015 30.300 -0.014 0.000 0.856 444 R HN 0.459 nan 8.270 nan 0.000 0.437 445 L N -0.086 121.168 121.223 0.051 0.000 2.156 445 L HA -0.056 4.276 4.340 -0.013 0.000 0.208 445 L C 2.594 179.528 176.870 0.108 0.000 1.095 445 L CA 0.964 55.844 54.840 0.067 0.000 0.770 445 L CB -0.391 41.720 42.059 0.086 0.000 0.914 445 L HN 0.323 nan 8.230 nan 0.000 0.439 446 A N 0.004 122.924 122.820 0.166 0.000 1.930 446 A HA -0.139 4.173 4.320 -0.013 0.000 0.217 446 A C 2.502 180.137 177.584 0.084 0.000 1.175 446 A CA 1.636 53.814 52.037 0.236 0.000 0.627 446 A CB -0.532 18.630 19.000 0.269 0.000 0.815 446 A HN 0.392 nan 8.150 nan 0.000 0.443 447 A N -0.140 122.697 122.820 0.028 0.000 1.897 447 A HA 0.011 4.323 4.320 -0.013 0.000 0.215 447 A C 2.098 179.555 177.584 -0.212 0.000 1.181 447 A CA 1.372 53.368 52.037 -0.069 0.000 0.620 447 A CB -0.515 18.462 19.000 -0.039 0.000 0.821 447 A HN 0.471 nan 8.150 nan 0.000 0.443 448 I N -0.131 120.359 120.570 -0.133 0.000 2.315 448 I HA -0.160 4.002 4.170 -0.013 0.000 0.248 448 I C 1.947 177.971 176.117 -0.154 0.000 1.117 448 I CA 1.390 62.606 61.300 -0.139 0.000 1.404 448 I CB -0.096 37.879 38.000 -0.042 0.000 1.071 448 I HN 0.186 nan 8.210 nan 0.000 0.419 449 S N -1.076 114.543 115.700 -0.136 0.000 2.593 449 S HA 0.044 4.506 4.470 -0.013 0.000 0.217 449 S C 0.261 174.834 174.600 -0.045 0.000 0.966 449 S CA -0.113 57.999 58.200 -0.147 0.000 0.914 449 S CB -0.178 62.773 63.200 -0.416 0.000 0.776 449 S HN 0.372 nan 8.310 nan 0.000 0.523 450 H N 1.469 120.526 119.070 -0.021 0.000 2.819 450 H HA -0.128 4.420 4.556 -0.014 0.000 0.315 450 H C -0.496 174.912 175.328 0.133 0.000 1.242 450 H CA 0.568 56.676 56.048 0.100 0.000 1.157 450 H CB -2.115 27.740 29.762 0.155 0.000 1.451 450 H HN 0.479 nan 8.280 nan 0.000 0.430 451 H N 0.929 120.122 119.070 0.205 0.000 2.525 451 H HA 0.252 4.801 4.556 -0.012 0.000 0.339 451 H C 1.102 176.487 175.328 0.094 0.000 1.109 451 H CA -0.355 55.780 56.048 0.146 0.000 1.352 451 H CB 1.135 30.942 29.762 0.075 0.000 1.461 451 H HN 0.315 nan 8.280 nan 0.000 0.533 452 R N 3.099 123.724 120.500 0.209 0.000 2.391 452 R HA 0.343 4.675 4.340 -0.013 0.000 0.310 452 R C -1.098 175.204 176.300 0.004 0.000 1.174 452 R CA -0.472 55.675 56.100 0.078 0.000 1.118 452 R CB -0.505 29.819 30.300 0.040 0.000 1.134 452 R HN 0.397 nan 8.270 nan 0.000 0.524 453 V N 2.030 121.899 119.914 -0.075 0.000 2.823 453 V HA 0.640 4.753 4.120 -0.013 0.000 0.312 453 V C -0.391 175.467 176.094 -0.394 0.000 1.072 453 V CA -1.040 61.118 62.300 -0.237 0.000 0.937 453 V CB 2.120 33.743 31.823 -0.333 0.000 1.013 453 V HN 0.521 nan 8.190 nan 0.000 0.430 454 I N 3.882 124.228 120.570 -0.374 0.000 2.406 454 I HA 0.499 4.661 4.170 -0.013 0.000 0.290 454 I C -1.330 174.567 176.117 -0.366 0.000 0.999 454 I CA -0.541 60.546 61.300 -0.355 0.000 1.124 454 I CB 1.957 39.828 38.000 -0.215 0.000 1.289 454 I HN 0.671 nan 8.210 nan 0.000 0.441 455 Y N 5.137 125.410 120.300 -0.045 0.000 2.369 455 Y HA 0.374 4.915 4.550 -0.014 0.000 0.337 455 Y C 0.097 175.978 175.900 -0.031 0.000 0.961 455 Y CA -1.035 57.063 58.100 -0.003 0.000 1.186 455 Y CB 1.338 39.789 38.460 -0.015 0.000 1.139 455 Y HN 0.181 nan 8.280 nan 0.000 0.494 456 V N 4.096 124.120 119.914 0.183 0.000 2.313 456 V HA 0.386 4.498 4.120 -0.013 0.000 0.252 456 V C 0.309 176.522 176.094 0.197 0.000 1.112 456 V CA -0.493 61.893 62.300 0.142 0.000 0.984 456 V CB -0.107 31.857 31.823 0.234 0.000 1.157 456 V HN 0.857 nan 8.190 nan 0.000 0.493 457 A N 4.309 127.223 122.820 0.158 0.000 2.444 457 A HA 0.629 4.941 4.320 -0.013 0.000 0.332 457 A C 0.742 178.449 177.584 0.204 0.000 1.430 457 A CA -0.290 51.851 52.037 0.173 0.000 0.975 457 A CB 0.150 19.215 19.000 0.109 0.000 1.147 457 A HN 0.777 nan 8.150 nan 0.000 0.524 458 T N -0.627 114.108 114.554 0.301 0.000 2.814 458 T HA 0.433 4.775 4.350 -0.013 0.000 0.284 458 T C 0.291 175.216 174.700 0.376 0.000 0.998 458 T CA -0.017 62.298 62.100 0.358 0.000 0.935 458 T CB -0.021 69.150 68.868 0.505 0.000 1.167 458 T HN 0.813 nan 8.240 nan 0.000 0.545 459 H N 0.307 119.389 119.070 0.019 0.000 2.672 459 H HA -0.089 4.459 4.556 -0.013 0.000 0.325 459 H C 0.680 175.976 175.328 -0.054 0.000 1.158 459 H CA 0.877 56.845 56.048 -0.134 0.000 1.134 459 H CB -1.757 27.669 29.762 -0.560 0.000 1.553 459 H HN 0.821 nan 8.280 nan 0.000 0.419 460 D N -0.986 119.478 120.400 0.106 0.000 2.363 460 D HA 0.005 4.637 4.640 -0.013 0.000 0.226 460 D C 0.873 177.311 176.300 0.231 0.000 1.020 460 D CA 0.904 55.003 54.000 0.164 0.000 0.892 460 D CB 0.313 41.233 40.800 0.201 0.000 0.900 460 D HN 0.537 nan 8.370 nan 0.000 0.531 461 S N -0.787 114.993 115.700 0.133 0.000 2.761 461 S HA 0.213 4.675 4.470 -0.013 0.000 0.290 461 S C 1.153 175.778 174.600 0.041 0.000 1.222 461 S CA -0.332 57.943 58.200 0.124 0.000 0.954 461 S CB -0.355 62.864 63.200 0.031 0.000 1.281 461 S HN 0.038 nan 8.310 nan 0.000 0.527 462 I N -0.194 120.358 120.570 -0.030 0.000 2.700 462 I HA 0.192 4.354 4.170 -0.013 0.000 0.261 462 I C 1.996 178.123 176.117 0.015 0.000 1.219 462 I CA 1.421 62.695 61.300 -0.043 0.000 1.463 462 I CB -1.279 36.631 38.000 -0.150 0.000 1.092 462 I HN 0.732 nan 8.210 nan 0.000 0.452 463 G N 1.496 110.349 108.800 0.089 0.000 2.501 463 G HA2 -0.156 3.796 3.960 -0.013 0.000 0.220 463 G HA3 -0.156 3.796 3.960 -0.013 0.000 0.220 463 G C 1.587 176.514 174.900 0.044 0.000 1.114 463 G CA 0.914 46.126 45.100 0.187 0.000 0.757 463 G HN 0.366 nan 8.290 nan 0.000 0.559 464 V N 0.705 120.616 119.914 -0.004 0.000 2.332 464 V HA 0.111 4.224 4.120 -0.013 0.000 0.248 464 V C 2.376 178.466 176.094 -0.006 0.000 1.055 464 V CA 2.098 64.367 62.300 -0.051 0.000 1.038 464 V CB -1.022 30.793 31.823 -0.014 0.000 0.651 464 V HN 0.926 nan 8.190 nan 0.000 0.450 465 G N -0.457 108.361 108.800 0.030 0.000 2.596 465 G HA2 -0.344 3.608 3.960 -0.013 0.000 0.258 465 G HA3 -0.344 3.608 3.960 -0.013 0.000 0.258 465 G C 0.549 175.467 174.900 0.031 0.000 1.207 465 G CA 0.362 45.485 45.100 0.038 0.000 0.954 465 G HN 0.336 nan 8.290 nan 0.000 0.551 466 E N 1.139 121.351 120.200 0.020 0.000 2.171 466 E HA -0.007 4.335 4.350 -0.013 0.000 0.197 466 E C 1.915 178.507 176.600 -0.012 0.000 0.997 466 E CA 1.452 57.858 56.400 0.010 0.000 0.810 466 E CB -0.183 29.523 29.700 0.009 0.000 0.738 466 E HN 0.476 nan 8.360 nan 0.000 0.467 467 D N -0.217 120.160 120.400 -0.038 0.000 2.263 467 D HA -0.012 4.620 4.640 -0.013 0.000 0.208 467 D C 1.058 177.306 176.300 -0.086 0.000 0.971 467 D CA 1.344 55.259 54.000 -0.142 0.000 0.867 467 D CB -0.190 40.447 40.800 -0.271 0.000 0.929 467 D HN 0.244 nan 8.370 nan 0.000 0.492 468 G N 0.266 109.072 108.800 0.010 0.000 2.728 468 G HA2 -0.196 3.756 3.960 -0.013 0.000 0.294 468 G HA3 -0.196 3.756 3.960 -0.013 0.000 0.294 468 G C -1.838 173.123 174.900 0.102 0.000 1.342 468 G CA -0.190 44.945 45.100 0.058 0.000 0.866 468 G HN -0.050 nan 8.290 nan 0.000 0.534 469 P HA -0.191 nan 4.420 nan 0.000 0.216 469 P C 1.886 179.224 177.300 0.064 0.000 1.150 469 P CA 3.175 66.328 63.100 0.088 0.000 0.843 469 P CB -0.434 31.299 31.700 0.055 0.000 0.787 470 T N -5.145 109.473 114.554 0.107 0.000 3.072 470 T HA -0.091 4.252 4.350 -0.013 0.000 0.266 470 T C 1.232 176.040 174.700 0.181 0.000 1.127 470 T CA 1.039 63.226 62.100 0.144 0.000 1.107 470 T CB -0.971 68.036 68.868 0.232 0.000 0.910 470 T HN 0.183 nan 8.240 nan 0.000 0.513 471 H N 0.307 119.380 119.070 0.006 0.000 2.893 471 H HA 0.420 4.968 4.556 -0.013 0.000 0.270 471 H C 0.067 175.324 175.328 -0.118 0.000 1.095 471 H CA -0.348 55.653 56.048 -0.078 0.000 1.186 471 H CB 0.482 30.253 29.762 0.014 0.000 1.562 471 H HN 0.483 nan 8.280 nan 0.000 0.536 472 Q N 1.522 121.355 119.800 0.055 0.000 2.372 472 Q HA 0.318 4.650 4.340 -0.013 0.000 0.259 472 Q C -2.658 173.374 176.000 0.054 0.000 0.993 472 Q CA -2.220 53.611 55.803 0.047 0.000 0.854 472 Q CB 2.101 30.881 28.738 0.070 0.000 1.231 472 Q HN 0.092 nan 8.270 nan 0.000 0.462 473 P HA -0.023 nan 4.420 nan 0.000 0.275 473 P C 0.034 177.404 177.300 0.117 0.000 1.227 473 P CA -0.126 62.991 63.100 0.029 0.000 0.781 473 P CB 1.097 32.779 31.700 -0.031 0.000 0.906 474 V N -0.156 119.785 119.914 0.047 0.000 3.309 474 V HA 0.203 4.315 4.120 -0.013 0.000 0.268 474 V C 0.891 176.962 176.094 -0.038 0.000 1.631 474 V CA 0.479 62.837 62.300 0.097 0.000 1.018 474 V CB 0.053 31.867 31.823 -0.015 0.000 0.841 474 V HN 0.482 nan 8.190 nan 0.000 0.418 475 E N 0.468 120.598 120.200 -0.116 0.000 2.641 475 E HA 0.168 4.510 4.350 -0.013 0.000 0.224 475 E C 1.477 177.975 176.600 -0.171 0.000 0.951 475 E CA 0.240 56.558 56.400 -0.137 0.000 1.102 475 E CB 0.531 30.150 29.700 -0.134 0.000 1.091 475 E HN 0.457 nan 8.360 nan 0.000 0.507 476 L N 1.128 122.227 121.223 -0.208 0.000 2.109 476 L HA 0.024 4.356 4.340 -0.013 0.000 0.207 476 L C 2.122 178.855 176.870 -0.228 0.000 1.086 476 L CA 1.143 55.868 54.840 -0.191 0.000 0.760 476 L CB -0.357 41.603 42.059 -0.165 0.000 0.910 476 L HN -0.008 nan 8.230 nan 0.000 0.437 477 V N -0.091 119.600 119.914 -0.372 0.000 2.407 477 V HA -0.260 3.852 4.120 -0.013 0.000 0.248 477 V C 2.760 178.748 176.094 -0.176 0.000 1.055 477 V CA 1.452 63.569 62.300 -0.305 0.000 1.049 477 V CB -1.248 30.286 31.823 -0.481 0.000 0.662 477 V HN 0.570 nan 8.190 nan 0.000 0.455 478 A N 0.092 122.821 122.820 -0.153 0.000 1.902 478 A HA -0.128 4.184 4.320 -0.013 0.000 0.217 478 A C 2.444 180.010 177.584 -0.030 0.000 1.181 478 A CA 2.093 54.104 52.037 -0.044 0.000 0.623 478 A CB -0.762 18.275 19.000 0.061 0.000 0.818 478 A HN 0.560 nan 8.150 nan 0.000 0.443 479 A N -0.191 122.586 122.820 -0.072 0.000 1.877 479 A HA -0.059 4.253 4.320 -0.013 0.000 0.216 479 A C 2.151 179.695 177.584 -0.066 0.000 1.186 479 A CA 1.552 53.548 52.037 -0.070 0.000 0.620 479 A CB -0.660 18.282 19.000 -0.097 0.000 0.822 479 A HN 0.476 nan 8.150 nan 0.000 0.443 480 L N -1.240 119.931 121.223 -0.086 0.000 2.131 480 L HA -0.146 4.186 4.340 -0.013 0.000 0.210 480 L C 2.749 179.587 176.870 -0.054 0.000 1.092 480 L CA 1.212 56.006 54.840 -0.077 0.000 0.759 480 L CB -0.398 41.606 42.059 -0.092 0.000 0.903 480 L HN 0.329 nan 8.230 nan 0.000 0.435 481 R N -0.218 120.249 120.500 -0.055 0.000 2.189 481 R HA -0.033 4.299 4.340 -0.013 0.000 0.218 481 R C 2.303 178.580 176.300 -0.038 0.000 1.074 481 R CA 0.976 57.047 56.100 -0.049 0.000 0.991 481 R CB -0.248 30.005 30.300 -0.077 0.000 0.883 481 R HN 0.322 nan 8.270 nan 0.000 0.457 482 A N 0.741 123.545 122.820 -0.026 0.000 2.067 482 A HA -0.003 4.309 4.320 -0.013 0.000 0.217 482 A C 1.101 178.673 177.584 -0.020 0.000 1.156 482 A CA 0.013 52.042 52.037 -0.013 0.000 0.683 482 A CB -0.133 18.879 19.000 0.020 0.000 0.808 482 A HN 0.202 nan 8.150 nan 0.000 0.455 483 M N 1.556 121.140 119.600 -0.027 0.000 2.268 483 M HA 0.281 4.753 4.480 -0.013 0.000 0.349 483 M C -2.644 173.642 176.300 -0.023 0.000 1.485 483 M CA -1.872 53.411 55.300 -0.028 0.000 1.094 483 M CB 0.178 32.757 32.600 -0.035 0.000 1.843 483 M HN -0.109 nan 8.290 nan 0.000 0.460 484 P HA 0.104 nan 4.420 nan 0.000 0.269 484 P C -0.834 176.450 177.300 -0.027 0.000 1.209 484 P CA 0.288 63.375 63.100 -0.022 0.000 0.776 484 P CB 0.402 32.088 31.700 -0.023 0.000 0.876 485 N N 0.463 119.154 118.700 -0.015 0.000 2.705 485 N HA -0.195 4.537 4.740 -0.013 0.000 0.255 485 N C -1.389 174.121 175.510 -0.000 0.000 1.008 485 N CA 0.643 53.687 53.050 -0.012 0.000 0.742 485 N CB -1.287 37.158 38.487 -0.071 0.000 0.906 485 N HN 0.299 nan 8.380 nan 0.000 0.541 486 L N 0.362 121.593 121.223 0.014 0.000 2.470 486 L HA 0.487 4.819 4.340 -0.013 0.000 0.268 486 L C -0.780 176.109 176.870 0.032 0.000 0.964 486 L CA -0.439 54.420 54.840 0.032 0.000 0.839 486 L CB 1.871 43.941 42.059 0.020 0.000 1.276 486 L HN 0.208 nan 8.230 nan 0.000 0.403 487 Q N 3.378 123.205 119.800 0.045 0.000 2.278 487 Q HA 0.664 4.996 4.340 -0.013 0.000 0.257 487 Q C -1.232 174.787 176.000 0.033 0.000 0.928 487 Q CA -0.643 55.181 55.803 0.035 0.000 0.932 487 Q CB 2.272 31.029 28.738 0.031 0.000 1.221 487 Q HN 0.559 nan 8.270 nan 0.000 0.434 488 V N 5.343 125.272 119.914 0.025 0.000 2.325 488 V HA 0.400 4.512 4.120 -0.013 0.000 0.280 488 V C -0.399 175.715 176.094 0.033 0.000 1.016 488 V CA -0.473 61.840 62.300 0.022 0.000 0.818 488 V CB 0.692 32.517 31.823 0.005 0.000 1.019 488 V HN 0.667 nan 8.190 nan 0.000 0.434 489 I N 4.587 125.173 120.570 0.027 0.000 2.354 489 I HA 0.560 4.722 4.170 -0.013 0.000 0.292 489 I C 0.319 176.468 176.117 0.053 0.000 0.989 489 I CA -0.521 60.801 61.300 0.036 0.000 1.188 489 I CB 1.627 39.631 38.000 0.007 0.000 1.342 489 I HN 0.486 nan 8.210 nan 0.000 0.457 490 R N 8.286 128.836 120.500 0.085 0.000 2.477 490 R HA 0.371 4.703 4.340 -0.013 0.000 0.285 490 R C -2.573 173.784 176.300 0.095 0.000 1.415 490 R CA -1.618 54.545 56.100 0.105 0.000 1.446 490 R CB 0.907 31.302 30.300 0.157 0.000 1.110 490 R HN 0.314 nan 8.270 nan 0.000 0.590 491 P HA -0.006 nan 4.420 nan 0.000 0.269 491 P C 0.027 177.373 177.300 0.077 0.000 1.215 491 P CA 0.113 63.267 63.100 0.089 0.000 0.780 491 P CB 1.672 33.426 31.700 0.091 0.000 0.898 492 S N 0.364 116.107 115.700 0.073 0.000 2.492 492 S HA 0.076 4.538 4.470 -0.013 0.000 0.218 492 S C 0.356 174.981 174.600 0.043 0.000 1.016 492 S CA 0.252 58.480 58.200 0.045 0.000 0.916 492 S CB -0.407 62.810 63.200 0.028 0.000 0.791 492 S HN 0.610 nan 8.310 nan 0.000 0.513 493 D N -0.692 119.745 120.400 0.062 0.000 2.946 493 D HA 0.268 4.900 4.640 -0.013 0.000 0.337 493 D C 0.615 176.961 176.300 0.075 0.000 1.332 493 D CA -0.650 53.384 54.000 0.057 0.000 0.935 493 D CB 0.075 40.904 40.800 0.047 0.000 1.440 493 D HN -0.098 nan 8.370 nan 0.000 0.540 494 Q N -0.315 119.525 119.800 0.068 0.000 2.061 494 Q HA -0.083 4.249 4.340 -0.013 0.000 0.204 494 Q C 1.669 177.721 176.000 0.087 0.000 0.984 494 Q CA 2.940 58.789 55.803 0.077 0.000 0.846 494 Q CB -0.921 27.852 28.738 0.059 0.000 0.902 494 Q HN 0.599 nan 8.270 nan 0.000 0.421 495 T N 0.747 115.348 114.554 0.077 0.000 2.708 495 T HA -0.144 4.198 4.350 -0.013 0.000 0.266 495 T C 1.459 176.217 174.700 0.098 0.000 1.037 495 T CA 1.579 63.727 62.100 0.080 0.000 1.146 495 T CB -0.230 68.681 68.868 0.072 0.000 0.865 495 T HN 0.429 nan 8.240 nan 0.000 0.435 496 E N 0.275 120.542 120.200 0.112 0.000 2.204 496 E HA -0.078 4.264 4.350 -0.013 0.000 0.194 496 E C 2.355 179.030 176.600 0.125 0.000 0.989 496 E CA 1.047 57.523 56.400 0.127 0.000 0.824 496 E CB -0.111 29.675 29.700 0.144 0.000 0.756 496 E HN 0.403 nan 8.360 nan 0.000 0.477 497 T N 0.311 114.945 114.554 0.132 0.000 2.821 497 T HA -0.090 4.252 4.350 -0.013 0.000 0.267 497 T C 2.096 176.943 174.700 0.245 0.000 1.046 497 T CA 1.075 63.277 62.100 0.170 0.000 1.139 497 T CB -0.069 68.906 68.868 0.179 0.000 0.871 497 T HN 0.027 nan 8.240 nan 0.000 0.454 498 S N 0.798 116.621 115.700 0.204 0.000 2.383 498 S HA -0.010 4.452 4.470 -0.013 0.000 0.227 498 S C 2.423 177.158 174.600 0.226 0.000 1.026 498 S CA 1.033 59.367 58.200 0.223 0.000 0.981 498 S CB -0.727 62.555 63.200 0.137 0.000 0.818 498 S HN 0.634 nan 8.310 nan 0.000 0.472 499 G N 1.374 110.267 108.800 0.156 0.000 2.418 499 G HA2 -0.087 3.865 3.960 -0.013 0.000 0.217 499 G HA3 -0.087 3.865 3.960 -0.013 0.000 0.217 499 G C 1.555 176.537 174.900 0.137 0.000 1.158 499 G CA 0.922 46.097 45.100 0.124 0.000 0.771 499 G HN 0.566 nan 8.290 nan 0.000 0.545 500 A N 0.041 122.933 122.820 0.121 0.000 1.902 500 A HA -0.050 4.262 4.320 -0.013 0.000 0.217 500 A C 2.197 179.792 177.584 0.019 0.000 1.181 500 A CA 1.436 53.498 52.037 0.041 0.000 0.623 500 A CB -0.713 18.276 19.000 -0.019 0.000 0.818 500 A HN 0.513 nan 8.150 nan 0.000 0.443 501 W N -0.339 120.993 121.300 0.053 0.000 2.388 501 W HA -0.012 4.640 4.660 -0.013 0.000 0.294 501 W C 2.736 179.309 176.519 0.089 0.000 1.212 501 W CA 1.377 58.739 57.345 0.029 0.000 1.271 501 W CB -0.026 29.439 29.460 0.008 0.000 1.126 501 W HN 0.406 nan 8.180 nan 0.000 0.535 502 A N -0.423 122.650 122.820 0.421 0.000 1.902 502 A HA -0.169 4.143 4.320 -0.013 0.000 0.217 502 A C 1.974 179.756 177.584 0.330 0.000 1.181 502 A CA 2.030 54.367 52.037 0.501 0.000 0.623 502 A CB -1.102 18.104 19.000 0.343 0.000 0.818 502 A HN 0.081 nan 8.150 nan 0.000 0.443 503 V N -0.223 119.801 119.914 0.183 0.000 2.307 503 V HA -0.213 3.899 4.120 -0.013 0.000 0.245 503 V C 3.074 179.207 176.094 0.065 0.000 1.045 503 V CA 1.871 64.234 62.300 0.105 0.000 1.024 503 V CB -1.172 30.686 31.823 0.058 0.000 0.651 503 V HN 0.616 nan 8.190 nan 0.000 0.449 504 A N -0.269 122.561 122.820 0.017 0.000 1.883 504 A HA -0.191 4.121 4.320 -0.013 0.000 0.217 504 A C 2.191 179.768 177.584 -0.012 0.000 1.186 504 A CA 1.923 53.929 52.037 -0.051 0.000 0.624 504 A CB -0.591 18.279 19.000 -0.217 0.000 0.822 504 A HN 0.508 nan 8.150 nan 0.000 0.444 505 L N 0.325 121.565 121.223 0.029 0.000 2.201 505 L HA -0.117 4.215 4.340 -0.013 0.000 0.212 505 L C 2.471 179.311 176.870 -0.051 0.000 1.105 505 L CA 1.415 56.218 54.840 -0.062 0.000 0.775 505 L CB -0.230 41.663 42.059 -0.275 0.000 0.913 505 L HN 0.577 nan 8.230 nan 0.000 0.440 506 S N -2.998 112.738 115.700 0.059 0.000 2.556 506 S HA 0.093 4.555 4.470 -0.013 0.000 0.216 506 S C 0.889 175.512 174.600 0.037 0.000 0.970 506 S CA -0.432 57.822 58.200 0.090 0.000 0.912 506 S CB 0.127 63.448 63.200 0.202 0.000 0.790 506 S HN 0.122 nan 8.310 nan 0.000 0.504 507 S N 3.008 118.719 115.700 0.019 0.000 3.036 507 S HA 0.308 4.770 4.470 -0.013 0.000 0.301 507 S C 1.366 175.951 174.600 -0.025 0.000 1.205 507 S CA -0.614 57.592 58.200 0.010 0.000 0.999 507 S CB -0.315 62.900 63.200 0.025 0.000 1.337 507 S HN 0.644 nan 8.310 nan 0.000 0.515 508 I N -0.578 119.930 120.570 -0.103 0.000 2.454 508 I HA -0.118 4.044 4.170 -0.013 0.000 0.254 508 I C 0.785 176.723 176.117 -0.299 0.000 1.156 508 I CA 1.475 62.625 61.300 -0.249 0.000 1.433 508 I CB -0.224 37.523 38.000 -0.422 0.000 1.082 508 I HN 0.508 nan 8.210 nan 0.000 0.432 509 H N 0.701 119.822 119.070 0.085 0.000 2.662 509 H HA 0.422 4.971 4.556 -0.012 0.000 0.268 509 H C -0.418 175.016 175.328 0.177 0.000 1.152 509 H CA -0.045 56.089 56.048 0.143 0.000 1.072 509 H CB 0.618 30.433 29.762 0.089 0.000 1.660 509 H HN 0.262 nan 8.280 nan 0.000 0.584 510 T N 4.141 118.808 114.554 0.188 0.000 2.928 510 T HA 0.267 4.609 4.350 -0.013 0.000 0.296 510 T C -2.732 172.019 174.700 0.086 0.000 1.000 510 T CA -1.284 60.895 62.100 0.132 0.000 0.989 510 T CB 3.184 72.116 68.868 0.106 0.000 1.005 510 T HN 0.002 nan 8.240 nan 0.000 0.442 511 P HA 0.384 nan 4.420 nan 0.000 0.274 511 P C -0.853 176.495 177.300 0.080 0.000 1.231 511 P CA -0.274 62.873 63.100 0.078 0.000 0.790 511 P CB 0.718 32.519 31.700 0.168 0.000 0.951 512 T N 0.960 115.536 114.554 0.038 0.000 2.921 512 T HA 0.312 4.654 4.350 -0.013 0.000 0.297 512 T C -0.484 174.288 174.700 0.121 0.000 1.013 512 T CA -0.420 61.704 62.100 0.040 0.000 0.990 512 T CB 1.202 70.035 68.868 -0.060 0.000 1.023 512 T HN 0.067 nan 8.240 nan 0.000 0.447 513 V N 4.618 124.617 119.914 0.140 0.000 2.370 513 V HA 0.422 4.534 4.120 -0.013 0.000 0.279 513 V C -0.227 175.878 176.094 0.018 0.000 1.029 513 V CA -0.738 61.651 62.300 0.149 0.000 0.870 513 V CB 1.088 32.950 31.823 0.066 0.000 0.984 513 V HN 0.713 nan 8.190 nan 0.000 0.451 514 L N 4.886 126.090 121.223 -0.031 0.000 2.259 514 L HA 0.385 4.717 4.340 -0.013 0.000 0.288 514 L C -0.317 176.560 176.870 0.011 0.000 1.051 514 L CA -0.244 54.544 54.840 -0.087 0.000 0.824 514 L CB 0.934 42.832 42.059 -0.268 0.000 1.206 514 L HN 0.607 nan 8.230 nan 0.000 0.429 515 C N 5.554 124.881 119.300 0.045 0.000 2.322 515 C HA 0.461 4.913 4.460 -0.013 0.000 0.343 515 C C 0.473 175.526 174.990 0.104 0.000 1.190 515 C CA -0.681 58.393 59.018 0.094 0.000 1.704 515 C CB -1.059 26.759 27.740 0.130 0.000 2.293 515 C HN 0.561 nan 8.230 nan 0.000 0.523 516 L N 3.636 124.930 121.223 0.119 0.000 2.334 516 L HA 0.598 4.930 4.340 -0.013 0.000 0.273 516 L C 0.607 177.540 176.870 0.105 0.000 1.013 516 L CA -0.053 54.857 54.840 0.117 0.000 0.816 516 L CB 1.605 43.748 42.059 0.141 0.000 1.278 516 L HN 0.669 nan 8.230 nan 0.000 0.431 517 S N 0.990 116.731 115.700 0.068 0.000 2.646 517 S HA 0.384 4.846 4.470 -0.013 0.000 0.276 517 S C 0.617 175.186 174.600 -0.052 0.000 1.222 517 S CA -0.659 57.550 58.200 0.016 0.000 1.014 517 S CB 2.005 65.215 63.200 0.015 0.000 0.991 517 S HN 0.766 nan 8.310 nan 0.000 0.533 518 R N 0.469 120.865 120.500 -0.175 0.000 2.128 518 R HA 0.051 4.383 4.340 -0.013 0.000 0.211 518 R C 0.696 176.914 176.300 -0.136 0.000 1.067 518 R CA 0.343 56.256 56.100 -0.313 0.000 1.010 518 R CB -0.112 29.803 30.300 -0.641 0.000 0.922 518 R HN 0.884 nan 8.270 nan 0.000 0.457 519 Q N 1.459 121.208 119.800 -0.084 0.000 2.260 519 Q HA 0.131 4.463 4.340 -0.013 0.000 0.238 519 Q C -1.046 174.935 176.000 -0.032 0.000 0.948 519 Q CA -0.511 55.265 55.803 -0.045 0.000 0.895 519 Q CB 0.666 29.387 28.738 -0.028 0.000 1.218 519 Q HN -0.013 nan 8.270 nan 0.000 0.470 520 N N 1.620 120.303 118.700 -0.028 0.000 2.441 520 N HA 0.120 4.852 4.740 -0.013 0.000 0.251 520 N C -0.314 175.173 175.510 -0.039 0.000 1.242 520 N CA 0.486 53.523 53.050 -0.023 0.000 0.898 520 N CB 0.629 39.103 38.487 -0.020 0.000 1.100 520 N HN 0.765 nan 8.380 nan 0.000 0.443 521 T N -2.104 112.434 114.554 -0.027 0.000 2.907 521 T HA 0.389 4.731 4.350 -0.013 0.000 0.292 521 T C -0.490 174.193 174.700 -0.028 0.000 1.043 521 T CA -1.031 61.046 62.100 -0.038 0.000 1.003 521 T CB 1.903 70.757 68.868 -0.022 0.000 1.084 521 T HN 0.147 nan 8.240 nan 0.000 0.483 522 E N 3.199 123.377 120.200 -0.038 0.000 2.229 522 E HA 0.330 4.672 4.350 -0.013 0.000 0.283 522 E C -2.247 174.345 176.600 -0.015 0.000 1.030 522 E CA -2.374 54.009 56.400 -0.028 0.000 0.836 522 E CB 0.992 30.669 29.700 -0.038 0.000 1.068 522 E HN 0.543 nan 8.360 nan 0.000 0.401 523 P HA 0.012 nan 4.420 nan 0.000 0.268 523 P C -0.464 176.839 177.300 0.005 0.000 1.205 523 P CA -0.147 62.958 63.100 0.009 0.000 0.771 523 P CB 0.818 32.527 31.700 0.015 0.000 0.858 524 Q N 1.126 120.935 119.800 0.014 0.000 2.293 524 Q HA 0.180 4.512 4.340 -0.013 0.000 0.261 524 Q C 1.345 177.360 176.000 0.024 0.000 0.960 524 Q CA -0.342 55.467 55.803 0.009 0.000 0.882 524 Q CB 1.704 30.442 28.738 0.001 0.000 1.275 524 Q HN 0.536 nan 8.270 nan 0.000 0.445 525 S N 0.593 116.304 115.700 0.017 0.000 2.447 525 S HA -0.078 4.384 4.470 -0.013 0.000 0.233 525 S C 1.423 176.048 174.600 0.041 0.000 1.006 525 S CA 0.922 59.137 58.200 0.025 0.000 0.957 525 S CB -0.046 63.162 63.200 0.014 0.000 0.773 525 S HN 0.744 nan 8.310 nan 0.000 0.507 526 G N 0.854 109.680 108.800 0.044 0.000 2.985 526 G HA2 0.243 4.195 3.960 -0.013 0.000 0.209 526 G HA3 0.243 4.195 3.960 -0.013 0.000 0.209 526 G C 0.302 175.306 174.900 0.173 0.000 1.165 526 G CA -0.266 44.881 45.100 0.078 0.000 0.776 526 G HN 0.481 nan 8.290 nan 0.000 0.541 527 S N 0.159 115.953 115.700 0.157 0.000 2.579 527 S HA 0.506 4.968 4.470 -0.013 0.000 0.275 527 S C 0.312 175.023 174.600 0.186 0.000 1.345 527 S CA 0.157 58.507 58.200 0.249 0.000 1.031 527 S CB 1.192 64.490 63.200 0.162 0.000 0.892 527 S HN 0.718 nan 8.310 nan 0.000 0.529 528 S N 0.791 116.574 115.700 0.139 0.000 2.552 528 S HA 0.446 4.908 4.470 -0.013 0.000 0.272 528 S C 0.429 174.973 174.600 -0.094 0.000 1.150 528 S CA -0.887 57.305 58.200 -0.014 0.000 0.849 528 S CB 0.270 63.430 63.200 -0.066 0.000 1.113 528 S HN 0.450 nan 8.310 nan 0.000 0.458 529 I N 1.297 121.836 120.570 -0.053 0.000 2.252 529 I HA -0.104 4.058 4.170 -0.013 0.000 0.245 529 I C 2.801 178.868 176.117 -0.083 0.000 1.102 529 I CA 1.548 62.825 61.300 -0.038 0.000 1.385 529 I CB -0.268 37.726 38.000 -0.011 0.000 1.064 529 I HN 0.947 nan 8.210 nan 0.000 0.414 530 E N 1.232 121.373 120.200 -0.099 0.000 2.097 530 E HA -0.231 4.111 4.350 -0.013 0.000 0.196 530 E C 2.217 178.740 176.600 -0.127 0.000 1.000 530 E CA 1.553 57.914 56.400 -0.065 0.000 0.804 530 E CB -0.188 29.472 29.700 -0.067 0.000 0.740 530 E HN 0.536 nan 8.360 nan 0.000 0.454 531 G N 0.532 109.021 108.800 -0.519 0.000 2.421 531 G HA2 -0.233 3.719 3.960 -0.013 0.000 0.216 531 G HA3 -0.233 3.719 3.960 -0.013 0.000 0.216 531 G C 1.675 176.245 174.900 -0.551 0.000 1.171 531 G CA 0.974 45.359 45.100 -1.191 0.000 0.775 531 G HN 0.240 nan 8.290 nan 0.000 0.543 532 V N 0.825 120.563 119.914 -0.293 0.000 2.392 532 V HA -0.186 3.926 4.120 -0.013 0.000 0.249 532 V C 2.875 178.999 176.094 0.051 0.000 1.059 532 V CA 1.836 64.149 62.300 0.022 0.000 1.051 532 V CB -0.472 31.384 31.823 0.054 0.000 0.658 532 V HN 0.310 nan 8.190 nan 0.000 0.455 533 R N -0.700 119.812 120.500 0.019 0.000 2.193 533 R HA -0.144 4.188 4.340 -0.013 0.000 0.229 533 R C 1.936 178.194 176.300 -0.070 0.000 1.110 533 R CA 1.312 57.406 56.100 -0.011 0.000 0.988 533 R CB -0.319 29.956 30.300 -0.042 0.000 0.871 533 R HN 0.625 nan 8.270 nan 0.000 0.458 534 H N -1.546 117.495 119.070 -0.049 0.000 2.539 534 H HA 0.143 4.691 4.556 -0.013 0.000 0.269 534 H C 1.496 176.936 175.328 0.187 0.000 0.980 534 H CA 0.694 56.722 56.048 -0.033 0.000 1.152 534 H CB 0.678 30.367 29.762 -0.122 0.000 1.407 534 H HN 0.445 nan 8.280 nan 0.000 0.564 535 G N 0.072 109.032 108.800 0.267 0.000 2.708 535 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.229 535 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.229 535 G C 0.502 175.555 174.900 0.256 0.000 1.236 535 G CA 0.257 45.521 45.100 0.272 0.000 0.749 535 G HN 0.786 nan 8.290 nan 0.000 0.515 536 A N -0.780 122.241 122.820 0.335 0.000 2.549 536 A HA 0.974 5.286 4.320 -0.013 0.000 0.297 536 A C -0.791 177.016 177.584 0.373 0.000 1.061 536 A CA 0.243 52.316 52.037 0.059 0.000 0.690 536 A CB 1.466 19.977 19.000 -0.814 0.000 1.287 536 A HN 2.091 nan 8.150 nan 0.000 0.402 537 Y N -1.327 118.971 120.300 -0.005 0.000 2.702 537 Y HA 0.706 5.247 4.550 -0.013 0.000 0.336 537 Y C -0.519 175.364 175.900 -0.028 0.000 1.203 537 Y CA -1.198 56.925 58.100 0.039 0.000 1.072 537 Y CB 0.360 38.881 38.460 0.102 0.000 1.327 537 Y HN 0.489 nan 8.280 nan 0.000 0.456 538 S N 1.015 116.682 115.700 -0.055 0.000 2.528 538 S HA 0.375 4.837 4.470 -0.013 0.000 0.277 538 S C 0.880 175.383 174.600 -0.160 0.000 1.297 538 S CA -0.139 57.978 58.200 -0.140 0.000 1.052 538 S CB 1.054 64.225 63.200 -0.048 0.000 0.917 538 S HN 1.028 nan 8.310 nan 0.000 0.492 539 V N 1.230 121.005 119.914 -0.232 0.000 3.621 539 V HA 0.388 4.500 4.120 -0.013 0.000 0.263 539 V C 0.149 176.201 176.094 -0.070 0.000 1.272 539 V CA 0.036 62.246 62.300 -0.149 0.000 1.080 539 V CB 0.009 31.709 31.823 -0.206 0.000 0.816 539 V HN 0.497 nan 8.190 nan 0.000 0.451 540 V N 1.756 121.623 119.914 -0.078 0.000 2.532 540 V HA 0.586 4.698 4.120 -0.013 0.000 0.294 540 V C -1.569 174.498 176.094 -0.044 0.000 1.036 540 V CA -0.298 61.973 62.300 -0.050 0.000 0.876 540 V CB 1.646 33.437 31.823 -0.054 0.000 1.012 540 V HN 0.378 nan 8.190 nan 0.000 0.432 541 D N 2.534 122.918 120.400 -0.026 0.000 2.350 541 D HA 0.835 5.467 4.640 -0.013 0.000 0.238 541 D C -1.234 175.057 176.300 -0.015 0.000 0.989 541 D CA -0.196 53.792 54.000 -0.021 0.000 0.921 541 D CB 2.716 43.509 40.800 -0.012 0.000 1.297 541 D HN 0.285 nan 8.370 nan 0.000 0.490 542 V N 2.373 122.279 119.914 -0.013 0.000 3.048 542 V HA 0.406 4.518 4.120 -0.013 0.000 0.303 542 V C -2.277 173.813 176.094 -0.006 0.000 1.214 542 V CA -1.272 61.022 62.300 -0.009 0.000 0.984 542 V CB 2.375 34.191 31.823 -0.010 0.000 1.054 542 V HN 0.513 nan 8.190 nan 0.000 0.430 543 P HA 0.228 nan 4.420 nan 0.000 0.274 543 P C -0.573 176.727 177.300 0.000 0.000 1.237 543 P CA 0.118 63.218 63.100 -0.001 0.000 0.793 543 P CB 0.440 32.140 31.700 0.001 0.000 0.977 544 D N -0.368 120.033 120.400 0.002 0.000 2.704 544 D HA -0.167 4.465 4.640 -0.013 0.000 0.232 544 D C 0.459 176.761 176.300 0.003 0.000 1.183 544 D CA 0.675 54.677 54.000 0.004 0.000 0.647 544 D CB -1.225 39.578 40.800 0.004 0.000 1.013 544 D HN 0.419 nan 8.370 nan 0.000 0.415 545 L N -2.728 118.496 121.223 0.003 0.000 2.506 545 L HA 0.042 4.374 4.340 -0.013 0.000 0.281 545 L C 1.156 178.030 176.870 0.007 0.000 1.228 545 L CA 0.063 54.904 54.840 0.002 0.000 0.850 545 L CB 0.345 42.404 42.059 -0.000 0.000 1.110 545 L HN -0.055 nan 8.230 nan 0.000 0.496 546 Q N 2.042 121.846 119.800 0.006 0.000 2.246 546 Q HA 0.413 4.745 4.340 -0.013 0.000 0.222 546 Q C -0.679 175.329 176.000 0.015 0.000 0.851 546 Q CA -0.173 55.637 55.803 0.011 0.000 0.945 546 Q CB 1.193 29.935 28.738 0.007 0.000 1.122 546 Q HN 0.681 nan 8.270 nan 0.000 0.508 547 L N -0.436 120.794 121.223 0.012 0.000 2.612 547 L HA 0.469 4.801 4.340 -0.013 0.000 0.256 547 L C -1.966 174.909 176.870 0.009 0.000 0.949 547 L CA -0.812 54.038 54.840 0.016 0.000 0.867 547 L CB 2.329 44.394 42.059 0.010 0.000 1.417 547 L HN -0.283 nan 8.230 nan 0.000 0.414 548 V N 5.084 125.009 119.914 0.020 0.000 2.588 548 V HA 0.569 4.681 4.120 -0.013 0.000 0.304 548 V C -0.390 175.698 176.094 -0.009 0.000 1.042 548 V CA -0.371 61.931 62.300 0.002 0.000 0.877 548 V CB 1.828 33.661 31.823 0.016 0.000 0.996 548 V HN 0.588 nan 8.190 nan 0.000 0.425 549 I N 5.037 125.581 120.570 -0.043 0.000 2.382 549 I HA 0.464 4.626 4.170 -0.013 0.000 0.285 549 I C -0.506 175.553 176.117 -0.096 0.000 1.007 549 I CA -0.716 60.544 61.300 -0.067 0.000 1.142 549 I CB 1.867 39.823 38.000 -0.074 0.000 1.289 549 I HN 0.365 nan 8.210 nan 0.000 0.453 550 V N 6.706 126.554 119.914 -0.110 0.000 2.483 550 V HA 0.921 5.033 4.120 -0.013 0.000 0.295 550 V C -0.150 175.846 176.094 -0.163 0.000 1.035 550 V CA 0.040 62.265 62.300 -0.125 0.000 0.896 550 V CB 1.480 33.255 31.823 -0.081 0.000 0.986 550 V HN 0.886 nan 8.190 nan 0.000 0.447 551 A N 4.697 127.446 122.820 -0.118 0.000 2.583 551 A HA 1.001 5.313 4.320 -0.013 0.000 0.289 551 A C -0.562 177.017 177.584 -0.009 0.000 1.151 551 A CA -0.042 51.937 52.037 -0.097 0.000 0.695 551 A CB 2.040 20.970 19.000 -0.117 0.000 1.290 551 A HN 1.716 nan 8.150 nan 0.000 0.419 552 S N -1.260 114.459 115.700 0.032 0.000 2.618 552 S HA 0.802 5.264 4.470 -0.013 0.000 0.277 552 S C 0.705 175.330 174.600 0.041 0.000 1.138 552 S CA 0.556 58.798 58.200 0.070 0.000 0.844 552 S CB 0.836 64.141 63.200 0.174 0.000 1.127 552 S HN 2.816 nan 8.310 nan 0.000 0.474 553 G N 2.272 111.104 108.800 0.053 0.000 2.652 553 G HA2 -0.372 3.580 3.960 -0.013 0.000 0.318 553 G HA3 -0.372 3.580 3.960 -0.013 0.000 0.318 553 G C 1.112 176.015 174.900 0.005 0.000 1.295 553 G CA 1.593 46.717 45.100 0.041 0.000 0.999 553 G HN 2.196 nan 8.290 nan 0.000 0.548 554 S N 0.020 115.716 115.700 -0.006 0.000 2.547 554 S HA 0.092 4.554 4.470 -0.013 0.000 0.235 554 S C 1.572 176.126 174.600 -0.077 0.000 0.980 554 S CA 1.962 60.137 58.200 -0.041 0.000 0.941 554 S CB 0.194 63.373 63.200 -0.036 0.000 0.763 554 S HN 0.603 nan 8.310 nan 0.000 0.532 555 E N 0.698 120.863 120.200 -0.058 0.000 2.472 555 E HA 0.232 4.574 4.350 -0.013 0.000 0.196 555 E C 1.635 178.185 176.600 -0.085 0.000 1.033 555 E CA -0.009 56.345 56.400 -0.076 0.000 0.886 555 E CB -0.061 29.597 29.700 -0.070 0.000 0.944 555 E HN 0.355 nan 8.360 nan 0.000 0.492 556 V N 0.918 120.789 119.914 -0.070 0.000 2.407 556 V HA -0.277 3.835 4.120 -0.013 0.000 0.248 556 V C 2.286 178.332 176.094 -0.081 0.000 1.055 556 V CA 2.032 64.285 62.300 -0.078 0.000 1.049 556 V CB -0.728 31.055 31.823 -0.067 0.000 0.662 556 V HN 0.422 nan 8.190 nan 0.000 0.455 557 S N 0.092 115.745 115.700 -0.078 0.000 2.382 557 S HA -0.178 4.284 4.470 -0.013 0.000 0.228 557 S C 1.907 176.457 174.600 -0.084 0.000 1.027 557 S CA 1.298 59.451 58.200 -0.077 0.000 0.991 557 S CB -0.537 62.614 63.200 -0.081 0.000 0.823 557 S HN 0.346 nan 8.310 nan 0.000 0.469 558 L N 2.219 123.384 121.223 -0.097 0.000 2.017 558 L HA 0.132 4.464 4.340 -0.013 0.000 0.208 558 L C 3.054 179.874 176.870 -0.084 0.000 1.073 558 L CA 1.573 56.357 54.840 -0.093 0.000 0.745 558 L CB -1.518 40.482 42.059 -0.098 0.000 0.894 558 L HN 0.449 nan 8.230 nan 0.000 0.432 559 A N -1.132 121.633 122.820 -0.091 0.000 1.902 559 A HA -0.148 4.164 4.320 -0.013 0.000 0.217 559 A C 2.405 179.943 177.584 -0.076 0.000 1.181 559 A CA 1.886 53.869 52.037 -0.090 0.000 0.623 559 A CB -0.906 18.032 19.000 -0.103 0.000 0.818 559 A HN 0.213 nan 8.150 nan 0.000 0.443 560 V N 0.474 120.344 119.914 -0.074 0.000 2.307 560 V HA -0.237 3.875 4.120 -0.013 0.000 0.245 560 V C 2.172 178.234 176.094 -0.054 0.000 1.045 560 V CA 2.402 64.665 62.300 -0.063 0.000 1.024 560 V CB -0.846 30.941 31.823 -0.059 0.000 0.651 560 V HN 0.497 nan 8.190 nan 0.000 0.449 561 D N 0.343 120.709 120.400 -0.055 0.000 2.144 561 D HA -0.093 4.539 4.640 -0.013 0.000 0.199 561 D C 2.186 178.458 176.300 -0.046 0.000 0.984 561 D CA 1.507 55.478 54.000 -0.049 0.000 0.834 561 D CB -0.363 40.405 40.800 -0.053 0.000 0.955 561 D HN 0.419 nan 8.370 nan 0.000 0.465 562 A N 0.797 123.586 122.820 -0.051 0.000 1.902 562 A HA -0.041 4.271 4.320 -0.013 0.000 0.217 562 A C 2.279 179.839 177.584 -0.041 0.000 1.181 562 A CA 2.088 54.097 52.037 -0.047 0.000 0.623 562 A CB -0.796 18.171 19.000 -0.055 0.000 0.818 562 A HN 0.229 nan 8.150 nan 0.000 0.443 563 A N -0.209 122.584 122.820 -0.044 0.000 1.902 563 A HA -0.169 4.143 4.320 -0.013 0.000 0.217 563 A C 2.115 179.680 177.584 -0.032 0.000 1.181 563 A CA 1.861 53.875 52.037 -0.038 0.000 0.623 563 A CB -0.411 18.563 19.000 -0.043 0.000 0.818 563 A HN 0.557 nan 8.150 nan 0.000 0.443 564 K N -0.371 120.009 120.400 -0.032 0.000 2.026 564 K HA -0.044 4.268 4.320 -0.013 0.000 0.208 564 K C 2.275 178.860 176.600 -0.025 0.000 1.048 564 K CA 1.140 57.411 56.287 -0.027 0.000 0.929 564 K CB -0.360 32.123 32.500 -0.028 0.000 0.713 564 K HN 0.416 nan 8.250 nan 0.000 0.439 565 A N 1.033 123.837 122.820 -0.027 0.000 2.024 565 A HA -0.124 4.188 4.320 -0.013 0.000 0.220 565 A C 1.880 179.451 177.584 -0.022 0.000 1.164 565 A CA 1.326 53.348 52.037 -0.024 0.000 0.643 565 A CB -0.459 18.525 19.000 -0.027 0.000 0.806 565 A HN 0.202 nan 8.150 nan 0.000 0.451 566 L N -1.105 120.104 121.223 -0.023 0.000 2.607 566 L HA 0.040 4.372 4.340 -0.013 0.000 0.228 566 L C 2.323 179.182 176.870 -0.017 0.000 1.123 566 L CA 0.202 55.030 54.840 -0.020 0.000 0.890 566 L CB -0.088 41.959 42.059 -0.021 0.000 1.103 566 L HN 0.245 nan 8.230 nan 0.000 0.468 567 S N 1.003 116.692 115.700 -0.018 0.000 2.393 567 S HA -0.273 4.189 4.470 -0.013 0.000 0.235 567 S C 2.079 176.671 174.600 -0.013 0.000 1.061 567 S CA 2.039 60.229 58.200 -0.015 0.000 1.129 567 S CB -0.669 62.522 63.200 -0.015 0.000 1.011 567 S HN 0.646 nan 8.310 nan 0.000 0.436 568 G N 0.519 109.311 108.800 -0.012 0.000 2.450 568 G HA2 -0.189 3.763 3.960 -0.013 0.000 0.220 568 G HA3 -0.189 3.763 3.960 -0.013 0.000 0.220 568 G C 1.259 176.153 174.900 -0.010 0.000 1.130 568 G CA 0.990 46.083 45.100 -0.011 0.000 0.760 568 G HN 0.590 nan 8.290 nan 0.000 0.557 569 E N -0.798 119.395 120.200 -0.011 0.000 2.065 569 E HA 0.255 4.597 4.350 -0.013 0.000 0.191 569 E C 0.446 177.041 176.600 -0.009 0.000 0.960 569 E CA 0.145 56.539 56.400 -0.010 0.000 0.824 569 E CB 0.119 29.812 29.700 -0.012 0.000 0.793 569 E HN 0.244 nan 8.360 nan 0.000 0.459 570 L N 0.854 122.071 121.223 -0.010 0.000 2.333 570 L HA 0.460 4.792 4.340 -0.013 0.000 0.269 570 L C -0.103 176.762 176.870 -0.008 0.000 1.010 570 L CA -0.859 53.976 54.840 -0.007 0.000 0.818 570 L CB 1.894 43.949 42.059 -0.007 0.000 1.306 570 L HN -0.113 nan 8.230 nan 0.000 0.430 571 R N 1.675 122.171 120.500 -0.006 0.000 2.248 571 R HA 0.412 4.744 4.340 -0.013 0.000 0.337 571 R C -1.082 175.212 176.300 -0.009 0.000 1.106 571 R CA -0.391 55.704 56.100 -0.008 0.000 0.959 571 R CB 0.851 31.148 30.300 -0.005 0.000 1.075 571 R HN 0.296 nan 8.270 nan 0.000 0.480 572 V N 3.996 123.901 119.914 -0.014 0.000 2.483 572 V HA 0.381 4.493 4.120 -0.013 0.000 0.295 572 V C 0.350 176.429 176.094 -0.025 0.000 1.035 572 V CA -0.856 61.433 62.300 -0.018 0.000 0.896 572 V CB 1.725 33.535 31.823 -0.023 0.000 0.986 572 V HN 0.645 nan 8.190 nan 0.000 0.447 573 R N 3.254 123.737 120.500 -0.028 0.000 2.407 573 R HA 0.729 5.061 4.340 -0.013 0.000 0.303 573 R C -1.677 174.589 176.300 -0.058 0.000 0.981 573 R CA -0.424 55.652 56.100 -0.040 0.000 0.905 573 R CB 1.825 32.104 30.300 -0.036 0.000 1.099 573 R HN 0.523 nan 8.270 nan 0.000 0.459 574 V N 5.115 124.982 119.914 -0.077 0.000 2.384 574 V HA 0.329 4.441 4.120 -0.013 0.000 0.287 574 V C -0.462 175.543 176.094 -0.149 0.000 1.020 574 V CA -0.731 61.508 62.300 -0.103 0.000 0.850 574 V CB 1.731 33.494 31.823 -0.100 0.000 0.987 574 V HN 0.539 nan 8.190 nan 0.000 0.436 575 V N 4.062 123.876 119.914 -0.166 0.000 2.384 575 V HA 0.409 4.521 4.120 -0.013 0.000 0.287 575 V C 0.333 176.270 176.094 -0.262 0.000 1.020 575 V CA -0.263 61.898 62.300 -0.231 0.000 0.850 575 V CB 1.922 33.620 31.823 -0.209 0.000 0.987 575 V HN 0.872 nan 8.190 nan 0.000 0.436 576 S N 6.131 121.592 115.700 -0.398 0.000 2.475 576 S HA 0.576 5.038 4.470 -0.013 0.000 0.281 576 S C -0.291 174.172 174.600 -0.228 0.000 1.198 576 S CA -0.530 57.475 58.200 -0.325 0.000 1.063 576 S CB 0.396 63.326 63.200 -0.451 0.000 0.972 576 S HN 0.770 nan 8.310 nan 0.000 0.486 577 M N 8.771 128.312 119.600 -0.099 0.000 2.386 577 M HA 0.382 4.854 4.480 -0.013 0.000 0.245 577 M C -1.980 174.342 176.300 0.037 0.000 0.982 577 M CA -2.149 53.109 55.300 -0.070 0.000 0.860 577 M CB 1.422 33.932 32.600 -0.149 0.000 1.371 577 M HN 0.480 nan 8.290 nan 0.000 0.425 578 P HA -0.014 nan 4.420 nan 0.000 0.221 578 P C 0.248 177.603 177.300 0.091 0.000 1.150 578 P CA 0.747 63.913 63.100 0.109 0.000 0.800 578 P CB 0.264 32.052 31.700 0.146 0.000 0.787 579 C N 0.791 120.143 119.300 0.087 0.000 2.781 579 C HA 0.290 4.742 4.460 -0.013 0.000 0.348 579 C C 1.803 176.846 174.990 0.088 0.000 1.051 579 C CA -0.405 58.659 59.018 0.077 0.000 1.347 579 C CB -0.126 27.662 27.740 0.080 0.000 1.846 579 C HN 0.127 nan 8.230 nan 0.000 0.473 580 Q N 1.364 121.194 119.800 0.051 0.000 2.170 580 Q HA -0.189 4.143 4.340 -0.013 0.000 0.203 580 Q C 1.321 177.423 176.000 0.169 0.000 0.976 580 Q CA 1.843 57.703 55.803 0.094 0.000 0.858 580 Q CB 0.380 29.145 28.738 0.045 0.000 0.907 580 Q HN 0.783 nan 8.270 nan 0.000 0.433 581 E N 0.857 121.119 120.200 0.103 0.000 2.077 581 E HA -0.131 4.211 4.350 -0.013 0.000 0.193 581 E C 1.825 178.479 176.600 0.091 0.000 0.989 581 E CA 0.864 57.314 56.400 0.083 0.000 0.800 581 E CB -0.128 29.602 29.700 0.050 0.000 0.746 581 E HN 0.279 nan 8.360 nan 0.000 0.452 582 L N -0.476 120.811 121.223 0.106 0.000 2.109 582 L HA -0.083 4.249 4.340 -0.013 0.000 0.207 582 L C 2.145 179.105 176.870 0.149 0.000 1.086 582 L CA 0.623 55.517 54.840 0.090 0.000 0.760 582 L CB -0.261 41.846 42.059 0.079 0.000 0.910 582 L HN 0.133 nan 8.230 nan 0.000 0.437 583 F N 1.529 121.521 119.950 0.070 0.000 2.102 583 F HA -0.244 4.276 4.527 -0.013 0.000 0.298 583 F C 2.171 178.049 175.800 0.129 0.000 1.105 583 F CA 1.700 59.775 58.000 0.125 0.000 1.239 583 F CB -0.339 38.718 39.000 0.096 0.000 0.991 583 F HN 0.120 nan 8.300 nan 0.000 0.474 584 D N 0.325 120.772 120.400 0.078 0.000 2.265 584 D HA -0.127 4.505 4.640 -0.013 0.000 0.208 584 D C 2.124 178.374 176.300 -0.083 0.000 0.977 584 D CA 1.273 55.250 54.000 -0.039 0.000 0.871 584 D CB -0.513 40.324 40.800 0.061 0.000 0.925 584 D HN 0.389 nan 8.370 nan 0.000 0.485 585 A N 0.266 123.058 122.820 -0.047 0.000 2.208 585 A HA -0.032 4.280 4.320 -0.013 0.000 0.209 585 A C 1.124 178.659 177.584 -0.082 0.000 1.161 585 A CA 0.183 52.188 52.037 -0.053 0.000 0.782 585 A CB 0.066 19.047 19.000 -0.031 0.000 0.816 585 A HN 0.007 nan 8.150 nan 0.000 0.477 586 Q N 0.897 120.630 119.800 -0.112 0.000 2.354 586 Q HA 0.271 4.603 4.340 -0.013 0.000 0.244 586 Q C -2.338 173.625 176.000 -0.061 0.000 0.969 586 Q CA -2.025 53.718 55.803 -0.099 0.000 0.885 586 Q CB 0.225 28.932 28.738 -0.053 0.000 1.241 586 Q HN 0.291 nan 8.270 nan 0.000 0.461 587 P HA -0.011 nan 4.420 nan 0.000 0.270 587 P C -0.325 176.990 177.300 0.024 0.000 1.223 587 P CA -0.025 63.081 63.100 0.009 0.000 0.785 587 P CB 0.689 32.409 31.700 0.033 0.000 0.923 588 D N 0.135 120.537 120.400 0.002 0.000 2.133 588 D HA -0.177 4.455 4.640 -0.013 0.000 0.195 588 D C 1.980 178.297 176.300 0.028 0.000 0.997 588 D CA 2.512 56.510 54.000 -0.003 0.000 0.840 588 D CB -0.859 39.939 40.800 -0.003 0.000 0.947 588 D HN 0.547 nan 8.370 nan 0.000 0.452 589 T N -1.894 112.693 114.554 0.055 0.000 2.788 589 T HA -0.270 4.072 4.350 -0.013 0.000 0.268 589 T C 1.999 176.755 174.700 0.094 0.000 1.044 589 T CA 1.040 63.180 62.100 0.067 0.000 1.139 589 T CB -0.798 68.114 68.868 0.074 0.000 0.867 589 T HN 0.263 nan 8.240 nan 0.000 0.454 590 Y N 2.384 122.703 120.300 0.032 0.000 2.220 590 Y HA 0.081 4.623 4.550 -0.013 0.000 0.291 590 Y C 2.678 178.636 175.900 0.098 0.000 1.129 590 Y CA 0.983 59.128 58.100 0.074 0.000 1.161 590 Y CB -0.131 38.390 38.460 0.101 0.000 0.997 590 Y HN 0.043 nan 8.280 nan 0.000 0.522 591 R N -0.388 120.130 120.500 0.030 0.000 2.092 591 R HA -0.169 4.163 4.340 -0.013 0.000 0.231 591 R C 2.224 178.561 176.300 0.061 0.000 1.119 591 R CA 1.253 57.326 56.100 -0.045 0.000 0.970 591 R CB -0.379 29.769 30.300 -0.254 0.000 0.864 591 R HN 0.346 nan 8.270 nan 0.000 0.440 592 Q N 0.690 120.502 119.800 0.021 0.000 2.167 592 Q HA -0.029 4.303 4.340 -0.013 0.000 0.202 592 Q C 1.902 177.907 176.000 0.008 0.000 0.970 592 Q CA 1.679 57.502 55.803 0.032 0.000 0.855 592 Q CB -0.040 28.714 28.738 0.027 0.000 0.911 592 Q HN 0.328 nan 8.270 nan 0.000 0.438 593 A N -0.614 122.178 122.820 -0.047 0.000 2.066 593 A HA -0.045 4.267 4.320 -0.013 0.000 0.218 593 A C 2.159 179.677 177.584 -0.109 0.000 1.157 593 A CA 1.204 53.191 52.037 -0.084 0.000 0.670 593 A CB -0.052 18.875 19.000 -0.123 0.000 0.804 593 A HN 0.221 nan 8.150 nan 0.000 0.453 594 V N -1.025 118.822 119.914 -0.112 0.000 2.492 594 V HA 0.139 4.251 4.120 -0.013 0.000 0.241 594 V C 0.855 176.953 176.094 0.007 0.000 1.041 594 V CA 0.833 63.089 62.300 -0.074 0.000 1.057 594 V CB -0.259 31.537 31.823 -0.046 0.000 0.711 594 V HN 0.421 nan 8.190 nan 0.000 0.468 595 L N 3.411 124.697 121.223 0.104 0.000 2.502 595 L HA 0.373 4.705 4.340 -0.013 0.000 0.247 595 L C -2.488 174.447 176.870 0.108 0.000 1.180 595 L CA -1.465 53.446 54.840 0.117 0.000 0.956 595 L CB 1.120 43.301 42.059 0.204 0.000 1.282 595 L HN 0.176 nan 8.230 nan 0.000 0.470 596 P HA 0.033 nan 4.420 nan 0.000 0.263 596 P C 0.027 177.372 177.300 0.075 0.000 1.195 596 P CA -0.026 63.110 63.100 0.059 0.000 0.762 596 P CB 1.131 32.853 31.700 0.038 0.000 0.799 597 A N 3.265 126.129 122.820 0.073 0.000 2.531 597 A HA 0.407 4.719 4.320 -0.013 0.000 0.236 597 A C 1.582 179.203 177.584 0.062 0.000 1.062 597 A CA 0.817 52.902 52.037 0.081 0.000 0.760 597 A CB -1.139 17.907 19.000 0.078 0.000 0.995 597 A HN 0.884 nan 8.150 nan 0.000 0.501 598 G N 0.600 109.434 108.800 0.056 0.000 2.268 598 G HA2 -0.189 3.763 3.960 -0.013 0.000 0.240 598 G HA3 -0.189 3.763 3.960 -0.013 0.000 0.240 598 G C 0.252 175.148 174.900 -0.005 0.000 1.010 598 G CA 0.153 45.261 45.100 0.014 0.000 0.618 598 G HN 1.504 nan 8.290 nan 0.000 0.516 599 V N 4.177 124.109 119.914 0.030 0.000 2.432 599 V HA 0.473 4.585 4.120 -0.013 0.000 0.275 599 V C -1.250 174.861 176.094 0.028 0.000 1.043 599 V CA -1.326 60.990 62.300 0.027 0.000 0.925 599 V CB 1.444 33.294 31.823 0.044 0.000 0.985 599 V HN 0.286 nan 8.190 nan 0.000 0.466 600 P HA 0.160 nan 4.420 nan 0.000 0.268 600 P C -0.902 176.489 177.300 0.150 0.000 1.205 600 P CA 0.106 63.152 63.100 -0.090 0.000 0.771 600 P CB 1.198 32.880 31.700 -0.029 0.000 0.858 601 V N 3.865 124.030 119.914 0.418 0.000 2.588 601 V HA 0.303 4.415 4.120 -0.013 0.000 0.304 601 V C 0.210 176.415 176.094 0.186 0.000 1.042 601 V CA -0.767 61.683 62.300 0.250 0.000 0.877 601 V CB 2.310 34.256 31.823 0.205 0.000 0.996 601 V HN 0.275 nan 8.190 nan 0.000 0.425 602 V N 3.774 123.728 119.914 0.068 0.000 2.448 602 V HA 0.597 4.709 4.120 -0.013 0.000 0.295 602 V C 0.173 176.210 176.094 -0.095 0.000 1.025 602 V CA -0.384 61.917 62.300 0.001 0.000 0.859 602 V CB 2.126 33.934 31.823 -0.024 0.000 0.988 602 V HN 1.018 nan 8.190 nan 0.000 0.431 603 S N 4.143 119.734 115.700 -0.182 0.000 2.509 603 S HA 0.847 5.309 4.470 -0.013 0.000 0.297 603 S C -0.806 173.485 174.600 -0.514 0.000 1.118 603 S CA -0.733 57.214 58.200 -0.422 0.000 1.074 603 S CB 1.899 64.617 63.200 -0.803 0.000 1.038 603 S HN 0.441 nan 8.310 nan 0.000 0.498 604 V N 1.888 121.504 119.914 -0.497 0.000 2.483 604 V HA 0.699 4.811 4.120 -0.013 0.000 0.297 604 V C -0.402 175.489 176.094 -0.339 0.000 1.027 604 V CA -0.380 61.657 62.300 -0.439 0.000 0.855 604 V CB 1.003 32.673 31.823 -0.256 0.000 0.995 604 V HN 1.064 nan 8.190 nan 0.000 0.424 605 E N 2.910 122.920 120.200 -0.316 0.000 2.388 605 E HA 0.544 4.886 4.350 -0.013 0.000 0.289 605 E C -0.293 176.226 176.600 -0.135 0.000 0.944 605 E CA -0.561 55.778 56.400 -0.102 0.000 0.792 605 E CB 1.947 31.776 29.700 0.215 0.000 1.239 605 E HN 0.807 nan 8.360 nan 0.000 0.412 606 A N 4.794 127.446 122.820 -0.280 0.000 2.478 606 A HA 0.198 4.510 4.320 -0.013 0.000 0.239 606 A C -0.906 176.522 177.584 -0.259 0.000 1.480 606 A CA 0.502 52.368 52.037 -0.284 0.000 1.308 606 A CB -0.793 18.032 19.000 -0.290 0.000 0.899 606 A HN 0.486 nan 8.150 nan 0.000 0.600 607 Y N -2.213 118.169 120.300 0.137 0.000 2.665 607 Y HA 0.466 5.008 4.550 -0.013 0.000 0.336 607 Y C 0.675 176.679 175.900 0.174 0.000 1.085 607 Y CA -1.577 56.601 58.100 0.129 0.000 1.096 607 Y CB 1.450 40.023 38.460 0.189 0.000 1.301 607 Y HN 0.122 nan 8.280 nan 0.000 0.493 608 V N -0.341 119.738 119.914 0.276 0.000 3.237 608 V HA 0.041 4.153 4.120 -0.013 0.000 0.305 608 V C 0.894 177.103 176.094 0.191 0.000 1.096 608 V CA 0.299 62.701 62.300 0.171 0.000 1.130 608 V CB 1.033 32.895 31.823 0.066 0.000 1.048 608 V HN 0.958 nan 8.190 nan 0.000 0.484 609 S N 1.146 116.915 115.700 0.114 0.000 2.527 609 S HA 0.066 4.528 4.470 -0.013 0.000 0.222 609 S C 0.647 175.305 174.600 0.096 0.000 0.985 609 S CA -0.042 58.127 58.200 -0.051 0.000 0.921 609 S CB -0.673 62.551 63.200 0.039 0.000 0.772 609 S HN 0.816 nan 8.310 nan 0.000 0.529 610 F N 3.559 123.510 119.950 0.003 0.000 2.549 610 F HA 0.360 4.879 4.527 -0.014 0.000 0.400 610 F C 1.518 177.279 175.800 -0.066 0.000 1.011 610 F CA 1.184 59.168 58.000 -0.027 0.000 1.148 610 F CB -0.340 38.632 39.000 -0.046 0.000 0.993 610 F HN 0.390 nan 8.300 nan 0.000 0.540 611 G N 4.497 112.915 108.800 -0.637 0.000 2.234 611 G HA2 -0.369 3.583 3.960 -0.013 0.000 0.235 611 G HA3 -0.369 3.583 3.960 -0.013 0.000 0.235 611 G C 0.885 175.564 174.900 -0.367 0.000 0.997 611 G CA 0.217 45.001 45.100 -0.527 0.000 0.623 611 G HN 0.743 nan 8.290 nan 0.000 0.514 612 W N 1.165 122.336 121.300 -0.214 0.000 2.595 612 W HA 0.279 4.932 4.660 -0.012 0.000 0.257 612 W C 2.181 178.625 176.519 -0.126 0.000 1.267 612 W CA 0.895 58.175 57.345 -0.109 0.000 1.300 612 W CB 0.258 29.608 29.460 -0.184 0.000 1.120 612 W HN 0.257 nan 8.180 nan 0.000 0.618 613 E N 1.180 121.381 120.200 0.000 0.000 2.331 613 E HA -0.224 4.118 4.350 -0.013 0.000 0.199 613 E C 1.872 178.375 176.600 -0.162 0.000 1.008 613 E CA 1.182 57.541 56.400 -0.068 0.000 0.843 613 E CB -0.068 29.565 29.700 -0.110 0.000 0.761 613 E HN 0.516 nan 8.360 nan 0.000 0.507 614 K N -1.222 119.000 120.400 -0.297 0.000 2.432 614 K HA -0.103 4.209 4.320 -0.013 0.000 0.196 614 K C 0.829 177.117 176.600 -0.520 0.000 1.038 614 K CA 0.970 56.966 56.287 -0.485 0.000 0.986 614 K CB 0.085 32.161 32.500 -0.706 0.000 0.782 614 K HN 0.077 nan 8.250 nan 0.000 0.485 615 Y N 0.750 121.064 120.300 0.023 0.000 2.784 615 Y HA 0.162 4.704 4.550 -0.013 0.000 0.267 615 Y C 1.087 176.988 175.900 0.002 0.000 1.117 615 Y CA -0.190 57.957 58.100 0.078 0.000 1.231 615 Y CB 0.364 38.960 38.460 0.227 0.000 1.441 615 Y HN 0.117 nan 8.280 nan 0.000 0.469 616 S N -0.904 114.917 115.700 0.201 0.000 2.681 616 S HA 0.334 4.796 4.470 -0.013 0.000 0.299 616 S C -0.338 174.168 174.600 -0.157 0.000 1.113 616 S CA -0.483 57.736 58.200 0.031 0.000 1.013 616 S CB 1.513 64.791 63.200 0.129 0.000 1.076 616 S HN 0.323 nan 8.310 nan 0.000 0.534 617 H N -0.113 119.009 119.070 0.087 0.000 2.648 617 H HA 0.664 5.212 4.556 -0.013 0.000 0.265 617 H C 0.451 175.839 175.328 0.100 0.000 0.961 617 H CA 0.699 56.791 56.048 0.073 0.000 1.185 617 H CB 0.603 30.393 29.762 0.048 0.000 1.449 617 H HN 0.871 nan 8.280 nan 0.000 0.523 618 A N 0.176 123.104 122.820 0.180 0.000 2.589 618 A HA 0.402 4.714 4.320 -0.013 0.000 0.296 618 A C -1.738 175.903 177.584 0.095 0.000 1.062 618 A CA -0.653 51.464 52.037 0.134 0.000 0.686 618 A CB 1.319 20.389 19.000 0.117 0.000 1.282 618 A HN 0.383 nan 8.150 nan 0.000 0.404 619 H N 1.387 120.431 119.070 -0.043 0.000 2.600 619 H HA 0.622 5.170 4.556 -0.013 0.000 0.357 619 H C -1.776 173.486 175.328 -0.110 0.000 1.106 619 H CA -0.493 55.471 56.048 -0.141 0.000 1.193 619 H CB 1.958 31.634 29.762 -0.143 0.000 1.594 619 H HN 0.406 nan 8.280 nan 0.000 0.526 620 V N 5.566 125.065 119.914 -0.693 0.000 2.293 620 V HA 0.482 4.594 4.120 -0.013 0.000 0.275 620 V C 0.522 176.215 176.094 -0.669 0.000 1.021 620 V CA 0.232 62.252 62.300 -0.467 0.000 0.815 620 V CB 0.635 32.285 31.823 -0.289 0.000 1.025 620 V HN 0.947 nan 8.190 nan 0.000 0.448 621 G N 4.417 112.978 108.800 -0.398 0.000 2.694 621 G HA2 0.505 4.457 3.960 -0.013 0.000 0.246 621 G HA3 0.505 4.457 3.960 -0.013 0.000 0.246 621 G C -1.045 173.833 174.900 -0.037 0.000 1.205 621 G CA -0.800 44.187 45.100 -0.188 0.000 0.891 621 G HN 0.224 nan 8.290 nan 0.000 0.515 622 M N 0.908 120.509 119.600 0.003 0.000 2.288 622 M HA 0.448 4.920 4.480 -0.013 0.000 0.334 622 M C 0.626 176.895 176.300 -0.051 0.000 1.150 622 M CA -0.089 55.144 55.300 -0.111 0.000 1.118 622 M CB 1.199 33.688 32.600 -0.184 0.000 1.501 622 M HN 0.380 nan 8.290 nan 0.000 0.462 623 S N 0.091 115.726 115.700 -0.109 0.000 2.559 623 S HA 0.429 4.891 4.470 -0.013 0.000 0.226 623 S C 0.673 175.191 174.600 -0.137 0.000 1.030 623 S CA 0.085 58.247 58.200 -0.064 0.000 0.956 623 S CB 0.911 64.105 63.200 -0.011 0.000 0.900 623 S HN 0.937 nan 8.310 nan 0.000 0.510 624 G N 0.393 109.053 108.800 -0.233 0.000 2.772 624 G HA2 0.584 4.536 3.960 -0.013 0.000 0.284 624 G HA3 0.584 4.536 3.960 -0.013 0.000 0.284 624 G C -1.438 173.214 174.900 -0.414 0.000 1.217 624 G CA -0.721 44.184 45.100 -0.325 0.000 0.831 624 G HN 0.100 nan 8.290 nan 0.000 0.523 625 F N 0.797 120.678 119.950 -0.115 0.000 2.375 625 F HA 0.571 5.090 4.527 -0.013 0.000 0.313 625 F C 1.485 177.171 175.800 -0.190 0.000 1.176 625 F CA 0.681 58.611 58.000 -0.116 0.000 1.142 625 F CB 0.789 39.768 39.000 -0.034 0.000 1.275 625 F HN 0.590 nan 8.300 nan 0.000 0.544 626 G N -0.500 108.360 108.800 0.100 0.000 2.546 626 G HA2 0.620 4.572 3.960 -0.013 0.000 0.239 626 G HA3 0.620 4.572 3.960 -0.013 0.000 0.239 626 G C -1.219 173.864 174.900 0.305 0.000 1.476 626 G CA 0.079 45.230 45.100 0.086 0.000 1.064 626 G HN 0.918 nan 8.290 nan 0.000 0.561 627 A N -2.051 120.959 122.820 0.316 0.000 2.588 627 A HA 0.670 4.982 4.320 -0.013 0.000 0.290 627 A C -0.541 177.120 177.584 0.128 0.000 1.136 627 A CA -0.062 52.102 52.037 0.211 0.000 0.681 627 A CB 1.047 20.169 19.000 0.204 0.000 1.282 627 A HN 1.230 nan 8.150 nan 0.000 0.421 628 S N -0.198 115.549 115.700 0.078 0.000 2.404 628 S HA 0.694 5.156 4.470 -0.013 0.000 0.309 628 S C -0.240 174.378 174.600 0.030 0.000 1.076 628 S CA 0.495 58.722 58.200 0.047 0.000 1.095 628 S CB -0.324 62.894 63.200 0.031 0.000 0.972 628 S HN 2.291 nan 8.310 nan 0.000 0.484 629 A N 5.866 128.703 122.820 0.029 0.000 2.522 629 A HA 0.692 5.005 4.320 -0.013 0.000 0.291 629 A C -3.311 174.287 177.584 0.023 0.000 1.039 629 A CA -1.208 50.837 52.037 0.014 0.000 0.643 629 A CB 0.321 19.317 19.000 -0.006 0.000 1.310 629 A HN 0.538 nan 8.150 nan 0.000 0.436 630 P HA 0.322 nan 4.420 nan 0.000 0.267 630 P C 1.081 178.412 177.300 0.053 0.000 1.200 630 P CA 0.860 63.977 63.100 0.029 0.000 0.772 630 P CB 0.852 32.564 31.700 0.020 0.000 0.855 631 A N 4.030 126.896 122.820 0.076 0.000 1.884 631 A HA -0.219 4.093 4.320 -0.013 0.000 0.219 631 A C 2.381 180.097 177.584 0.219 0.000 1.197 631 A CA 2.567 54.697 52.037 0.154 0.000 0.637 631 A CB -2.029 17.066 19.000 0.159 0.000 0.827 631 A HN 0.647 nan 8.150 nan 0.000 0.450 632 G N -0.909 107.967 108.800 0.127 0.000 2.469 632 G HA2 -0.162 3.790 3.960 -0.013 0.000 0.220 632 G HA3 -0.162 3.790 3.960 -0.013 0.000 0.220 632 G C 1.502 176.457 174.900 0.091 0.000 1.136 632 G CA 1.384 46.544 45.100 0.099 0.000 0.759 632 G HN 0.397 nan 8.290 nan 0.000 0.562 633 V N 0.865 120.807 119.914 0.046 0.000 2.358 633 V HA -0.091 4.021 4.120 -0.013 0.000 0.246 633 V C 2.897 178.962 176.094 -0.050 0.000 1.047 633 V CA 1.357 63.653 62.300 -0.008 0.000 1.035 633 V CB -0.369 31.439 31.823 -0.026 0.000 0.658 633 V HN 0.356 nan 8.190 nan 0.000 0.452 634 L N -1.627 119.584 121.223 -0.019 0.000 2.083 634 L HA -0.189 4.143 4.340 -0.013 0.000 0.209 634 L C 2.509 179.342 176.870 -0.063 0.000 1.083 634 L CA 1.805 56.586 54.840 -0.098 0.000 0.752 634 L CB -0.690 41.401 42.059 0.053 0.000 0.899 634 L HN 0.298 nan 8.230 nan 0.000 0.433 635 Y N 0.542 120.859 120.300 0.028 0.000 2.224 635 Y HA -0.222 4.320 4.550 -0.013 0.000 0.289 635 Y C 2.643 178.541 175.900 -0.003 0.000 1.146 635 Y CA 1.428 59.555 58.100 0.044 0.000 1.182 635 Y CB -0.122 38.343 38.460 0.010 0.000 0.983 635 Y HN 0.062 nan 8.280 nan 0.000 0.524 636 K N 0.070 120.526 120.400 0.093 0.000 2.062 636 K HA -0.177 4.135 4.320 -0.013 0.000 0.205 636 K C 2.109 178.668 176.600 -0.067 0.000 1.051 636 K CA 1.243 57.539 56.287 0.015 0.000 0.941 636 K CB -0.149 32.347 32.500 -0.008 0.000 0.719 636 K HN 0.144 nan 8.250 nan 0.000 0.440 637 K N 0.591 120.875 120.400 -0.193 0.000 2.044 637 K HA -0.152 4.160 4.320 -0.013 0.000 0.210 637 K C 1.202 177.578 176.600 -0.373 0.000 1.049 637 K CA 1.519 57.580 56.287 -0.376 0.000 0.927 637 K CB -0.049 32.045 32.500 -0.676 0.000 0.713 637 K HN 0.007 nan 8.250 nan 0.000 0.443 638 F N 0.251 120.181 119.950 -0.033 0.000 2.692 638 F HA 0.274 4.793 4.527 -0.013 0.000 0.303 638 F C 1.304 177.082 175.800 -0.036 0.000 1.114 638 F CA 0.349 58.323 58.000 -0.044 0.000 1.361 638 F CB 0.293 39.242 39.000 -0.085 0.000 1.063 638 F HN 0.302 nan 8.300 nan 0.000 0.550 639 G N 1.184 110.039 108.800 0.092 0.000 2.179 639 G HA2 -0.328 3.624 3.960 -0.013 0.000 0.257 639 G HA3 -0.328 3.624 3.960 -0.013 0.000 0.257 639 G C 0.316 175.248 174.900 0.054 0.000 1.010 639 G CA 0.026 45.161 45.100 0.058 0.000 0.736 639 G HN 0.412 nan 8.290 nan 0.000 0.513 640 I N 2.489 123.117 120.570 0.098 0.000 2.243 640 I HA 0.350 4.512 4.170 -0.013 0.000 0.289 640 I C 0.944 177.143 176.117 0.136 0.000 1.140 640 I CA 0.452 61.814 61.300 0.104 0.000 1.289 640 I CB -0.010 38.083 38.000 0.154 0.000 1.498 640 I HN 0.325 nan 8.210 nan 0.000 0.561 641 T N -0.561 114.020 114.554 0.044 0.000 2.838 641 T HA 0.379 4.721 4.350 -0.013 0.000 0.292 641 T C 0.933 175.618 174.700 -0.025 0.000 1.113 641 T CA -0.703 61.404 62.100 0.013 0.000 1.008 641 T CB 2.029 70.903 68.868 0.012 0.000 1.259 641 T HN -0.089 nan 8.240 nan 0.000 0.520 642 V N 1.794 121.686 119.914 -0.037 0.000 2.295 642 V HA -0.146 3.966 4.120 -0.013 0.000 0.246 642 V C 2.919 178.991 176.094 -0.037 0.000 1.049 642 V CA 2.243 64.516 62.300 -0.045 0.000 1.024 642 V CB -0.927 30.868 31.823 -0.047 0.000 0.648 642 V HN 0.967 nan 8.190 nan 0.000 0.447 643 E N 0.492 120.675 120.200 -0.029 0.000 2.118 643 E HA -0.294 4.048 4.350 -0.013 0.000 0.195 643 E C 2.012 178.597 176.600 -0.025 0.000 0.992 643 E CA 1.558 57.943 56.400 -0.025 0.000 0.804 643 E CB -0.389 29.299 29.700 -0.020 0.000 0.741 643 E HN 0.592 nan 8.360 nan 0.000 0.458 644 E N 1.117 121.302 120.200 -0.024 0.000 2.106 644 E HA -0.081 4.261 4.350 -0.013 0.000 0.192 644 E C 2.176 178.752 176.600 -0.039 0.000 0.984 644 E CA 0.789 57.173 56.400 -0.026 0.000 0.806 644 E CB -0.089 29.598 29.700 -0.021 0.000 0.750 644 E HN 0.140 nan 8.360 nan 0.000 0.458 645 V N -0.396 119.488 119.914 -0.049 0.000 2.307 645 V HA -0.220 3.892 4.120 -0.013 0.000 0.245 645 V C 2.363 178.430 176.094 -0.045 0.000 1.045 645 V CA 1.463 63.727 62.300 -0.062 0.000 1.024 645 V CB -0.532 31.247 31.823 -0.074 0.000 0.651 645 V HN 0.135 nan 8.190 nan 0.000 0.449 646 V N 0.149 120.040 119.914 -0.038 0.000 2.287 646 V HA -0.312 3.800 4.120 -0.013 0.000 0.248 646 V C 2.609 178.688 176.094 -0.025 0.000 1.053 646 V CA 2.572 64.853 62.300 -0.031 0.000 1.027 646 V CB -0.795 31.011 31.823 -0.028 0.000 0.646 646 V HN 0.499 nan 8.190 nan 0.000 0.447 647 R N -0.321 120.165 120.500 -0.024 0.000 2.083 647 R HA -0.180 4.152 4.340 -0.013 0.000 0.237 647 R C 2.365 178.654 176.300 -0.017 0.000 1.137 647 R CA 2.206 58.295 56.100 -0.019 0.000 0.951 647 R CB -0.509 29.781 30.300 -0.017 0.000 0.851 647 R HN 0.542 nan 8.270 nan 0.000 0.434 648 T N -0.469 114.074 114.554 -0.019 0.000 2.746 648 T HA -0.075 4.267 4.350 -0.013 0.000 0.267 648 T C 1.671 176.370 174.700 -0.002 0.000 1.039 648 T CA 1.321 63.415 62.100 -0.011 0.000 1.142 648 T CB -0.466 68.389 68.868 -0.021 0.000 0.866 648 T HN 0.583 nan 8.240 nan 0.000 0.444 649 G N 1.187 109.981 108.800 -0.010 0.000 2.418 649 G HA2 -0.205 3.747 3.960 -0.013 0.000 0.217 649 G HA3 -0.205 3.747 3.960 -0.013 0.000 0.217 649 G C 1.701 176.601 174.900 -0.000 0.000 1.158 649 G CA 0.325 45.424 45.100 -0.002 0.000 0.771 649 G HN 0.363 nan 8.290 nan 0.000 0.545 650 R N 0.270 120.764 120.500 -0.010 0.000 2.081 650 R HA -0.066 4.266 4.340 -0.013 0.000 0.235 650 R C 2.585 178.874 176.300 -0.018 0.000 1.131 650 R CA 1.570 57.662 56.100 -0.014 0.000 0.960 650 R CB -0.236 30.054 30.300 -0.017 0.000 0.856 650 R HN 0.490 nan 8.270 nan 0.000 0.436 651 E N 0.299 120.488 120.200 -0.018 0.000 2.106 651 E HA -0.157 4.185 4.350 -0.013 0.000 0.192 651 E C 2.096 178.673 176.600 -0.039 0.000 0.984 651 E CA 0.774 57.155 56.400 -0.032 0.000 0.806 651 E CB -0.001 29.684 29.700 -0.025 0.000 0.750 651 E HN 0.296 nan 8.360 nan 0.000 0.458 652 L N 0.521 121.747 121.223 0.005 0.000 2.027 652 L HA -0.158 4.174 4.340 -0.013 0.000 0.206 652 L C 2.569 179.464 176.870 0.042 0.000 1.074 652 L CA 0.976 55.849 54.840 0.055 0.000 0.745 652 L CB -0.391 41.733 42.059 0.110 0.000 0.898 652 L HN 0.156 nan 8.230 nan 0.000 0.433 653 A N -0.145 122.688 122.820 0.023 0.000 1.940 653 A HA -0.275 4.037 4.320 -0.013 0.000 0.219 653 A C 2.352 179.927 177.584 -0.015 0.000 1.176 653 A CA 2.027 54.075 52.037 0.018 0.000 0.631 653 A CB -0.435 18.570 19.000 0.007 0.000 0.814 653 A HN 0.342 nan 8.150 nan 0.000 0.446 654 K N -0.832 119.540 120.400 -0.046 0.000 2.057 654 K HA -0.176 4.136 4.320 -0.013 0.000 0.206 654 K C 2.297 178.813 176.600 -0.139 0.000 1.050 654 K CA 1.557 57.800 56.287 -0.073 0.000 0.935 654 K CB -0.121 32.337 32.500 -0.069 0.000 0.715 654 K HN 0.297 nan 8.250 nan 0.000 0.439 655 R N -0.274 120.082 120.500 -0.239 0.000 2.090 655 R HA -0.002 4.330 4.340 -0.013 0.000 0.228 655 R C -0.086 175.798 176.300 -0.694 0.000 1.110 655 R CA 1.287 57.074 56.100 -0.521 0.000 0.973 655 R CB 0.117 29.974 30.300 -0.738 0.000 0.869 655 R HN 0.095 nan 8.270 nan 0.000 0.440 656 F N 2.275 122.191 119.950 -0.056 0.000 2.550 656 F HA 0.426 4.945 4.527 -0.013 0.000 0.348 656 F C -2.111 173.654 175.800 -0.058 0.000 1.219 656 F CA -2.477 55.480 58.000 -0.071 0.000 1.203 656 F CB 1.582 40.504 39.000 -0.131 0.000 1.436 656 F HN -0.031 nan 8.300 nan 0.000 0.541 657 P HA 0.134 nan 4.420 nan 0.000 0.278 657 P C -0.725 176.605 177.300 0.050 0.000 1.238 657 P CA -0.284 62.843 63.100 0.046 0.000 0.794 657 P CB 0.977 32.685 31.700 0.013 0.000 0.955 658 D N 0.869 121.289 120.400 0.034 0.000 3.284 658 D HA -0.141 4.491 4.640 -0.013 0.000 0.205 658 D C 0.971 177.289 176.300 0.030 0.000 1.175 658 D CA 1.221 55.237 54.000 0.027 0.000 0.970 658 D CB -2.240 38.572 40.800 0.019 0.000 0.803 658 D HN 0.850 nan 8.370 nan 0.000 0.386 659 G N 1.655 110.471 108.800 0.027 0.000 2.168 659 G HA2 -0.315 3.637 3.960 -0.013 0.000 0.257 659 G HA3 -0.315 3.637 3.960 -0.013 0.000 0.257 659 G C 0.852 175.764 174.900 0.021 0.000 0.997 659 G CA 1.056 46.169 45.100 0.022 0.000 0.708 659 G HN 1.472 nan 8.290 nan 0.000 0.520 660 T N -2.879 111.699 114.554 0.040 0.000 3.105 660 T HA 0.665 5.007 4.350 -0.013 0.000 0.253 660 T C 1.210 175.887 174.700 -0.039 0.000 1.047 660 T CA 1.092 63.225 62.100 0.054 0.000 0.944 660 T CB 0.701 69.651 68.868 0.136 0.000 1.016 660 T HN 1.593 nan 8.240 nan 0.000 0.544 661 A N 3.004 125.722 122.820 -0.170 0.000 2.511 661 A HA 0.489 4.801 4.320 -0.013 0.000 0.242 661 A C -2.280 175.048 177.584 -0.426 0.000 1.069 661 A CA -1.173 50.504 52.037 -0.601 0.000 0.763 661 A CB -0.363 18.296 19.000 -0.568 0.000 1.001 661 A HN 0.261 nan 8.150 nan 0.000 0.498 662 P HA 0.086 nan 4.420 nan 0.000 0.262 662 P C -0.486 176.866 177.300 0.086 0.000 1.182 662 P CA 0.343 63.350 63.100 -0.156 0.000 0.761 662 P CB 0.249 31.871 31.700 -0.131 0.000 0.795 663 L N 3.425 124.701 121.223 0.089 0.000 2.456 663 L HA 0.140 4.472 4.340 -0.013 0.000 0.272 663 L C 1.202 178.194 176.870 0.203 0.000 1.189 663 L CA -0.086 54.856 54.840 0.171 0.000 0.846 663 L CB 0.140 42.335 42.059 0.227 0.000 1.111 663 L HN 0.247 nan 8.230 nan 0.000 0.475 664 K N 1.944 122.415 120.400 0.119 0.000 2.087 664 K HA 0.187 4.499 4.320 -0.013 0.000 0.255 664 K C 0.686 177.191 176.600 -0.159 0.000 0.988 664 K CA -0.587 55.695 56.287 -0.008 0.000 0.915 664 K CB 0.844 33.297 32.500 -0.078 0.000 1.043 664 K HN 0.378 nan 8.250 nan 0.000 0.457 665 N N 0.631 119.142 118.700 -0.314 0.000 2.137 665 N HA -0.191 4.541 4.740 -0.013 0.000 0.190 665 N C 1.486 176.487 175.510 -0.848 0.000 1.017 665 N CA 1.831 54.406 53.050 -0.792 0.000 0.859 665 N CB -0.336 37.906 38.487 -0.409 0.000 1.002 665 N HN 0.655 nan 8.380 nan 0.000 0.428 666 S N -0.121 115.313 115.700 -0.443 0.000 2.419 666 S HA -0.136 4.326 4.470 -0.013 0.000 0.233 666 S C 2.054 176.498 174.600 -0.259 0.000 1.016 666 S CA 1.340 59.357 58.200 -0.306 0.000 0.974 666 S CB -0.591 62.506 63.200 -0.172 0.000 0.786 666 S HN 0.462 nan 8.310 nan 0.000 0.492 667 S N 2.309 117.871 115.700 -0.230 0.000 2.383 667 S HA -0.032 4.430 4.470 -0.013 0.000 0.227 667 S C 1.494 176.091 174.600 -0.005 0.000 1.026 667 S CA 0.812 58.974 58.200 -0.062 0.000 0.981 667 S CB -1.038 62.198 63.200 0.060 0.000 0.818 667 S HN 0.856 nan 8.310 nan 0.000 0.472 668 F N 1.235 121.178 119.950 -0.011 0.000 2.639 668 F HA 0.630 5.149 4.527 -0.014 0.000 0.302 668 F C 0.691 176.482 175.800 -0.015 0.000 1.097 668 F CA -0.795 57.199 58.000 -0.011 0.000 1.294 668 F CB -0.420 38.574 39.000 -0.010 0.000 1.027 668 F HN 0.191 nan 8.300 nan 0.000 0.550 669 S N 0.000 115.544 115.700 -0.259 0.000 2.498 669 S HA 0.000 4.462 4.470 -0.013 0.000 0.327 669 S CA 0.000 58.096 58.200 -0.173 0.000 1.107 669 S CB 0.000 63.028 63.200 -0.287 0.000 0.593 669 S HN 0.000 nan 8.310 nan 0.000 0.517