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 2ibm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGILNKMFD PTKRTLNRYE KIANDIDAIR GDYENLSDDA LKHKTIEFKE DATA SEQUENCE RLEKGATTDD LLVEAFAVVR EASRRVTGMF PFKVQLMGGV ALHDGNIAEM DATA SEQUENCE KTGEGKTLTS TLPVYLNALT GKGVHVVTVN EYLASRDAEQ MGKIFEFLGL DATA SEQUENCE TVGLNLNSMS KDEKREAYAA DITYSTNNEL GFDYLRDNMV LYKEQMVQRP DATA SEQUENCE LHFAVIDEVD SILIDEARTP LIISGQAAKS TKLYVQANAF VRTLKAEKDY DATA SEQUENCE TYDIKTKAVQ LTEEGMTKAE KAFGIDNLFD VKHVALNHHI NQALKAHVAM DATA SEQUENCE QKDVDYVVED GQVVIVDSFT GRLMKGRRYS EGLHQAIEAK EGLEIQNESM DATA SEQUENCE TLATITFQNY FRMYEKLAGM TGTAKTEEEE FRNIYNMQVV TIPTNRPVVR DATA SEQUENCE DDRPDLIYRT MEGKFKAVAE DVAQRYMTGQ PVLVGTVAVE TSELISKLLK DATA SEQUENCE NKGIPHQVLN AKNHEREAQI IEEAGQKGAV TIATNMAGRG TDIKLGEGVK DATA SEQUENCE ELGGLAVVGT ERHESRRIDN QLRGRSGRQG DPGITQFYLS MEDELMRRFG DATA SEQUENCE AERTMAMLDR FGMDDSTPIQ SKMVSRAVES SQKRVEGNNF DSRKQLLQYD DATA SEQUENCE DVLRQQREVI YKQRFEVIDS ENLREIVENM IKSSLERAIA AYTPREELPE DATA SEQUENCE EWKLDGLVDL INTTYLDEGA LEKSDIFGKE PDEMLELIMD RIITKYNEKE DATA SEQUENCE EQFGKEQMRE FEKVIVLRAV DSKWMDHIDA MDQLRQGIHL RAYAQTNPLR DATA SEQUENCE EYQMEGFAMF EHMIESIEDE VAKFVMKAEI 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 L N 1.061 122.287 121.223 0.005 0.000 2.436 2 L HA 0.588 4.939 4.340 0.018 0.000 0.265 2 L C 1.597 178.462 176.870 -0.008 0.000 1.168 2 L CA 0.698 55.535 54.840 -0.006 0.000 0.815 2 L CB 0.341 42.394 42.059 -0.009 0.000 1.109 2 L HN 0.547 nan 8.230 nan 0.000 0.462 3 G N 3.663 112.450 108.800 -0.022 0.000 2.596 3 G HA2 -0.309 3.662 3.960 0.018 0.000 0.421 3 G HA3 -0.309 3.662 3.960 0.018 0.000 0.421 3 G C -0.255 174.640 174.900 -0.007 0.000 1.364 3 G CA 0.434 45.519 45.100 -0.026 0.000 0.954 3 G HN 0.590 nan 8.290 nan 0.000 0.524 4 I N 0.066 120.634 120.570 -0.002 0.000 2.743 4 I HA 0.255 4.436 4.170 0.018 0.000 0.292 4 I C 0.350 176.482 176.117 0.024 0.000 1.343 4 I CA -1.009 60.301 61.300 0.016 0.000 1.038 4 I CB 1.880 39.886 38.000 0.010 0.000 1.311 4 I HN 0.689 nan 8.210 nan 0.000 0.426 5 L N 3.111 124.369 121.223 0.058 0.000 2.467 5 L HA 0.448 4.799 4.340 0.018 0.000 0.270 5 L C 0.470 177.338 176.870 -0.004 0.000 1.205 5 L CA -0.308 54.579 54.840 0.079 0.000 0.828 5 L CB 0.093 42.284 42.059 0.221 0.000 1.101 5 L HN 0.844 nan 8.230 nan 0.000 0.479 6 N N -0.302 118.386 118.700 -0.020 0.000 2.925 6 N HA -0.163 4.588 4.740 0.018 0.000 0.244 6 N C 0.432 175.915 175.510 -0.046 0.000 1.000 6 N CA 1.462 54.460 53.050 -0.087 0.000 0.895 6 N CB -0.728 37.614 38.487 -0.243 0.000 1.119 6 N HN 0.793 nan 8.380 nan 0.000 0.569 7 K N -0.378 120.018 120.400 -0.007 0.000 2.786 7 K HA 0.384 4.716 4.320 0.018 0.000 0.224 7 K C 0.491 177.107 176.600 0.027 0.000 1.089 7 K CA 0.227 56.513 56.287 -0.003 0.000 1.162 7 K CB 0.535 33.030 32.500 -0.008 0.000 1.585 7 K HN 0.130 nan 8.250 nan 0.000 0.466 8 M N 0.350 119.980 119.600 0.051 0.000 2.465 8 M HA 0.337 4.828 4.480 0.018 0.000 0.284 8 M C -1.941 174.476 176.300 0.196 0.000 1.212 8 M CA -0.578 54.779 55.300 0.094 0.000 0.910 8 M CB 1.957 34.596 32.600 0.064 0.000 1.725 8 M HN 0.337 nan 8.290 nan 0.000 0.477 9 F N 0.311 120.268 119.950 0.011 0.000 2.950 9 F HA 0.494 5.032 4.527 0.018 0.000 0.327 9 F C -0.665 175.143 175.800 0.014 0.000 1.197 9 F CA -1.109 56.900 58.000 0.015 0.000 0.954 9 F CB 1.445 40.459 39.000 0.024 0.000 1.442 9 F HN 0.560 nan 8.300 nan 0.000 0.509 10 D N 2.769 123.162 120.400 -0.012 0.000 2.352 10 D HA 0.160 4.811 4.640 0.018 0.000 0.238 10 D C -1.842 174.357 176.300 -0.168 0.000 1.286 10 D CA -0.209 53.700 54.000 -0.152 0.000 0.923 10 D CB -0.056 40.578 40.800 -0.276 0.000 1.146 10 D HN 0.231 nan 8.370 nan 0.000 0.471 11 P HA 0.060 nan 4.420 nan 0.000 0.278 11 P C -0.296 176.955 177.300 -0.083 0.000 1.270 11 P CA -0.136 62.919 63.100 -0.074 0.000 0.800 11 P CB 0.478 32.141 31.700 -0.062 0.000 1.142 12 T N -1.769 112.745 114.554 -0.066 0.000 2.868 12 T HA 0.387 4.748 4.350 0.018 0.000 0.306 12 T C -0.617 174.041 174.700 -0.071 0.000 1.224 12 T CA -0.482 61.575 62.100 -0.072 0.000 1.012 12 T CB 0.533 69.372 68.868 -0.047 0.000 1.221 12 T HN 0.504 nan 8.240 nan 0.000 0.499 13 K N 0.859 121.206 120.400 -0.089 0.000 3.251 13 K HA -0.125 4.207 4.320 0.018 0.000 0.282 13 K C 0.838 177.388 176.600 -0.083 0.000 1.201 13 K CA 1.210 57.450 56.287 -0.079 0.000 0.827 13 K CB -0.865 31.606 32.500 -0.048 0.000 1.286 13 K HN 0.534 nan 8.250 nan 0.000 0.503 14 R N -2.060 118.372 120.500 -0.114 0.000 2.650 14 R HA 0.113 4.465 4.340 0.018 0.000 0.212 14 R C 1.134 177.329 176.300 -0.176 0.000 0.904 14 R CA 0.799 56.836 56.100 -0.105 0.000 1.021 14 R CB 0.364 30.618 30.300 -0.076 0.000 1.519 14 R HN 0.185 nan 8.270 nan 0.000 0.639 15 T N 1.964 116.373 114.554 -0.242 0.000 2.777 15 T HA -0.034 4.327 4.350 0.018 0.000 0.266 15 T C 1.729 175.982 174.700 -0.744 0.000 1.040 15 T CA 0.884 62.709 62.100 -0.458 0.000 1.141 15 T CB -0.038 68.586 68.868 -0.406 0.000 0.868 15 T HN 0.085 nan 8.240 nan 0.000 0.444 16 L N 1.119 122.080 121.223 -0.437 0.000 2.027 16 L HA -0.099 4.253 4.340 0.018 0.000 0.206 16 L C 2.563 179.350 176.870 -0.138 0.000 1.074 16 L CA 1.193 55.868 54.840 -0.275 0.000 0.745 16 L CB -0.390 41.605 42.059 -0.106 0.000 0.898 16 L HN 0.288 nan 8.230 nan 0.000 0.433 17 N N -0.295 118.338 118.700 -0.111 0.000 2.166 17 N HA -0.233 4.518 4.740 0.018 0.000 0.186 17 N C 1.868 177.366 175.510 -0.021 0.000 1.019 17 N CA 0.979 54.003 53.050 -0.044 0.000 0.856 17 N CB -0.220 38.243 38.487 -0.040 0.000 0.993 17 N HN 0.335 nan 8.380 nan 0.000 0.426 18 R N 0.617 121.074 120.500 -0.073 0.000 2.081 18 R HA -0.132 4.219 4.340 0.018 0.000 0.235 18 R C 1.926 178.314 176.300 0.147 0.000 1.131 18 R CA 1.182 57.280 56.100 -0.002 0.000 0.960 18 R CB -0.305 29.962 30.300 -0.055 0.000 0.856 18 R HN 0.398 nan 8.270 nan 0.000 0.436 19 Y N 0.436 120.747 120.300 0.020 0.000 2.114 19 Y HA -0.193 4.368 4.550 0.018 0.000 0.284 19 Y C 2.592 178.511 175.900 0.031 0.000 1.143 19 Y CA 0.729 58.848 58.100 0.031 0.000 1.135 19 Y CB -0.165 38.315 38.460 0.033 0.000 0.980 19 Y HN 0.244 nan 8.280 nan 0.000 0.499 20 E N 0.724 121.040 120.200 0.193 0.000 2.108 20 E HA -0.313 4.048 4.350 0.018 0.000 0.203 20 E C 2.182 178.837 176.600 0.091 0.000 1.022 20 E CA 1.568 58.034 56.400 0.110 0.000 0.823 20 E CB -0.192 29.548 29.700 0.067 0.000 0.744 20 E HN 0.333 nan 8.360 nan 0.000 0.456 21 K N 0.708 121.160 120.400 0.085 0.000 2.002 21 K HA -0.176 4.155 4.320 0.018 0.000 0.209 21 K C 2.260 178.904 176.600 0.073 0.000 1.048 21 K CA 1.215 57.542 56.287 0.067 0.000 0.930 21 K CB -0.250 32.283 32.500 0.055 0.000 0.714 21 K HN 0.084 nan 8.250 nan 0.000 0.438 22 I N 1.200 121.826 120.570 0.093 0.000 2.145 22 I HA -0.354 3.827 4.170 0.018 0.000 0.244 22 I C 2.527 178.693 176.117 0.081 0.000 1.075 22 I CA 1.555 62.905 61.300 0.084 0.000 1.332 22 I CB -0.390 37.669 38.000 0.098 0.000 1.033 22 I HN 0.287 nan 8.210 nan 0.000 0.410 23 A N 0.851 123.722 122.820 0.085 0.000 1.858 23 A HA -0.230 4.101 4.320 0.018 0.000 0.216 23 A C 2.084 179.701 177.584 0.055 0.000 1.190 23 A CA 2.039 54.112 52.037 0.061 0.000 0.617 23 A CB -0.796 18.236 19.000 0.054 0.000 0.827 23 A HN 0.464 nan 8.150 nan 0.000 0.443 24 N N 0.470 119.206 118.700 0.060 0.000 2.149 24 N HA -0.151 4.600 4.740 0.018 0.000 0.188 24 N C 1.046 176.593 175.510 0.062 0.000 1.019 24 N CA 1.586 54.671 53.050 0.059 0.000 0.857 24 N CB -0.471 38.049 38.487 0.054 0.000 0.997 24 N HN 0.442 nan 8.380 nan 0.000 0.426 25 D N 1.048 121.485 120.400 0.061 0.000 2.144 25 D HA -0.036 4.615 4.640 0.018 0.000 0.199 25 D C 2.126 178.471 176.300 0.075 0.000 0.984 25 D CA 0.401 54.439 54.000 0.063 0.000 0.834 25 D CB -0.171 40.661 40.800 0.053 0.000 0.955 25 D HN 0.304 nan 8.370 nan 0.000 0.465 26 I N 0.715 121.328 120.570 0.071 0.000 2.179 26 I HA -0.250 3.931 4.170 0.018 0.000 0.242 26 I C 2.005 178.174 176.117 0.086 0.000 1.088 26 I CA 1.090 62.433 61.300 0.072 0.000 1.357 26 I CB -0.125 37.907 38.000 0.052 0.000 1.051 26 I HN -0.138 nan 8.210 nan 0.000 0.409 27 D N 0.672 121.119 120.400 0.078 0.000 2.263 27 D HA -0.130 4.521 4.640 0.018 0.000 0.208 27 D C 2.042 178.416 176.300 0.123 0.000 0.971 27 D CA 1.154 55.221 54.000 0.111 0.000 0.867 27 D CB 0.159 41.016 40.800 0.096 0.000 0.929 27 D HN 0.350 nan 8.370 nan 0.000 0.492 28 A N 0.460 123.344 122.820 0.106 0.000 1.872 28 A HA -0.026 4.305 4.320 0.018 0.000 0.214 28 A C 2.061 179.715 177.584 0.117 0.000 1.187 28 A CA 1.010 53.105 52.037 0.097 0.000 0.614 28 A CB -0.659 18.388 19.000 0.079 0.000 0.826 28 A HN 0.436 nan 8.150 nan 0.000 0.442 29 I N -1.705 118.956 120.570 0.151 0.000 3.752 29 I HA 0.116 4.297 4.170 0.018 0.000 0.313 29 I C 1.698 177.987 176.117 0.287 0.000 1.304 29 I CA 0.390 61.813 61.300 0.204 0.000 1.171 29 I CB -0.236 37.921 38.000 0.263 0.000 1.038 29 I HN 0.345 nan 8.210 nan 0.000 0.427 30 R N 1.653 122.296 120.500 0.238 0.000 2.189 30 R HA -0.025 4.326 4.340 0.018 0.000 0.223 30 R C 1.668 178.114 176.300 0.244 0.000 1.092 30 R CA 1.524 57.802 56.100 0.296 0.000 0.989 30 R CB -0.540 29.936 30.300 0.293 0.000 0.876 30 R HN 0.462 nan 8.270 nan 0.000 0.457 31 G N 0.271 109.164 108.800 0.156 0.000 2.744 31 G HA2 -0.103 3.868 3.960 0.018 0.000 0.211 31 G HA3 -0.103 3.868 3.960 0.018 0.000 0.211 31 G C 0.562 175.488 174.900 0.042 0.000 1.146 31 G CA 0.036 45.183 45.100 0.079 0.000 0.787 31 G HN 0.233 nan 8.290 nan 0.000 0.534 32 D N -0.465 119.951 120.400 0.025 0.000 2.371 32 D HA 0.019 4.670 4.640 0.018 0.000 0.221 32 D C 0.827 176.799 176.300 -0.547 0.000 0.986 32 D CA 0.671 54.507 54.000 -0.274 0.000 0.899 32 D CB 0.113 40.678 40.800 -0.392 0.000 0.902 32 D HN 0.534 nan 8.370 nan 0.000 0.530 33 Y N -1.077 119.264 120.300 0.069 0.000 2.437 33 Y HA 0.203 4.764 4.550 0.019 0.000 0.266 33 Y C 1.908 177.837 175.900 0.049 0.000 1.077 33 Y CA -0.437 57.707 58.100 0.073 0.000 1.235 33 Y CB 0.278 38.803 38.460 0.107 0.000 1.303 33 Y HN -0.131 nan 8.280 nan 0.000 0.536 34 E N 1.785 122.074 120.200 0.148 0.000 2.106 34 E HA -0.196 4.165 4.350 0.018 0.000 0.192 34 E C 0.587 177.196 176.600 0.016 0.000 0.984 34 E CA 1.829 58.259 56.400 0.049 0.000 0.806 34 E CB -0.046 29.649 29.700 -0.008 0.000 0.750 34 E HN 0.764 nan 8.360 nan 0.000 0.458 35 N N -0.544 118.165 118.700 0.014 0.000 2.187 35 N HA 0.100 4.851 4.740 0.018 0.000 0.212 35 N C -0.187 175.331 175.510 0.013 0.000 1.152 35 N CA -0.460 52.592 53.050 0.003 0.000 0.872 35 N CB 0.334 38.814 38.487 -0.011 0.000 1.025 35 N HN -0.046 nan 8.380 nan 0.000 0.514 36 L N 2.034 123.275 121.223 0.031 0.000 2.483 36 L HA 0.129 4.480 4.340 0.018 0.000 0.276 36 L C 0.857 177.762 176.870 0.058 0.000 1.213 36 L CA -0.015 54.849 54.840 0.040 0.000 0.843 36 L CB 0.591 42.691 42.059 0.069 0.000 1.107 36 L HN 0.406 nan 8.230 nan 0.000 0.487 37 S N 1.521 117.250 115.700 0.049 0.000 2.617 37 S HA 0.099 4.580 4.470 0.018 0.000 0.255 37 S C 0.662 175.323 174.600 0.100 0.000 1.318 37 S CA -0.243 57.991 58.200 0.057 0.000 0.978 37 S CB 0.402 63.621 63.200 0.032 0.000 0.961 37 S HN 0.645 nan 8.310 nan 0.000 0.582 38 D N 0.396 120.866 120.400 0.117 0.000 2.194 38 D HA 0.042 4.693 4.640 0.018 0.000 0.204 38 D C 1.306 177.654 176.300 0.081 0.000 0.964 38 D CA 0.941 55.064 54.000 0.205 0.000 0.846 38 D CB -0.389 40.564 40.800 0.255 0.000 0.962 38 D HN 0.554 nan 8.370 nan 0.000 0.490 39 D N 0.649 121.067 120.400 0.029 0.000 2.077 39 D HA -0.060 4.591 4.640 0.018 0.000 0.196 39 D C 2.056 178.350 176.300 -0.011 0.000 0.986 39 D CA 1.470 55.455 54.000 -0.025 0.000 0.829 39 D CB -0.607 40.172 40.800 -0.035 0.000 0.983 39 D HN 0.090 nan 8.370 nan 0.000 0.453 40 A N 0.743 123.570 122.820 0.012 0.000 1.958 40 A HA -0.216 4.115 4.320 0.018 0.000 0.221 40 A C 2.099 179.736 177.584 0.088 0.000 1.178 40 A CA 1.383 53.446 52.037 0.044 0.000 0.642 40 A CB -0.864 18.158 19.000 0.036 0.000 0.816 40 A HN 0.227 nan 8.150 nan 0.000 0.453 41 L N -0.214 121.065 121.223 0.093 0.000 1.976 41 L HA -0.157 4.194 4.340 0.018 0.000 0.209 41 L C 2.360 179.237 176.870 0.011 0.000 1.071 41 L CA 2.729 57.638 54.840 0.115 0.000 0.746 41 L CB -0.792 41.395 42.059 0.213 0.000 0.890 41 L HN 0.491 nan 8.230 nan 0.000 0.432 42 K N -1.779 118.561 120.400 -0.099 0.000 2.113 42 K HA -0.310 4.021 4.320 0.018 0.000 0.208 42 K C 2.273 178.852 176.600 -0.036 0.000 1.047 42 K CA 1.686 57.870 56.287 -0.173 0.000 0.928 42 K CB -0.298 32.029 32.500 -0.287 0.000 0.716 42 K HN 0.446 nan 8.250 nan 0.000 0.446 43 H N 0.895 119.899 119.070 -0.109 0.000 2.460 43 H HA -0.086 4.481 4.556 0.018 0.000 0.297 43 H C 1.479 176.716 175.328 -0.151 0.000 1.103 43 H CA 1.463 57.453 56.048 -0.097 0.000 1.292 43 H CB 0.240 29.960 29.762 -0.069 0.000 1.376 43 H HN 0.112 nan 8.280 nan 0.000 0.531 44 K N -0.754 119.526 120.400 -0.200 0.000 2.097 44 K HA -0.080 4.251 4.320 0.018 0.000 0.206 44 K C 2.171 178.342 176.600 -0.716 0.000 1.049 44 K CA 1.366 57.327 56.287 -0.542 0.000 0.933 44 K CB -0.571 31.649 32.500 -0.467 0.000 0.717 44 K HN 0.319 nan 8.250 nan 0.000 0.442 45 T N 2.230 116.633 114.554 -0.251 0.000 2.665 45 T HA -0.141 4.220 4.350 0.018 0.000 0.268 45 T C 2.081 176.743 174.700 -0.063 0.000 1.035 45 T CA 1.531 63.636 62.100 0.008 0.000 1.151 45 T CB -0.270 68.694 68.868 0.160 0.000 0.862 45 T HN 0.140 nan 8.240 nan 0.000 0.438 46 I N 0.698 121.183 120.570 -0.141 0.000 2.142 46 I HA -0.155 4.026 4.170 0.018 0.000 0.240 46 I C 2.671 178.681 176.117 -0.178 0.000 1.078 46 I CA 1.431 62.645 61.300 -0.143 0.000 1.343 46 I CB -0.454 37.437 38.000 -0.183 0.000 1.046 46 I HN 0.281 nan 8.210 nan 0.000 0.405 47 E N 1.130 121.121 120.200 -0.348 0.000 2.070 47 E HA -0.249 4.112 4.350 0.018 0.000 0.197 47 E C 2.298 178.912 176.600 0.022 0.000 1.004 47 E CA 1.736 57.992 56.400 -0.241 0.000 0.805 47 E CB -0.186 29.312 29.700 -0.336 0.000 0.744 47 E HN 0.499 nan 8.360 nan 0.000 0.451 48 F N 0.548 120.485 119.950 -0.021 0.000 2.134 48 F HA -0.188 4.350 4.527 0.018 0.000 0.299 48 F C 2.510 178.292 175.800 -0.029 0.000 1.097 48 F CA 0.690 58.688 58.000 -0.003 0.000 1.264 48 F CB -0.068 38.951 39.000 0.031 0.000 1.001 48 F HN -0.040 nan 8.300 nan 0.000 0.479 49 K N 0.370 120.856 120.400 0.143 0.000 2.097 49 K HA -0.174 4.157 4.320 0.018 0.000 0.205 49 K C 1.771 178.394 176.600 0.037 0.000 1.050 49 K CA 1.359 57.680 56.287 0.057 0.000 0.938 49 K CB -0.242 32.271 32.500 0.022 0.000 0.718 49 K HN 0.340 nan 8.250 nan 0.000 0.442 50 E N 0.536 120.754 120.200 0.029 0.000 2.072 50 E HA -0.140 4.221 4.350 0.018 0.000 0.191 50 E C 2.118 178.738 176.600 0.033 0.000 0.985 50 E CA 0.935 57.347 56.400 0.019 0.000 0.801 50 E CB 0.111 29.811 29.700 0.000 0.000 0.750 50 E HN 0.213 nan 8.360 nan 0.000 0.452 51 R N 0.313 120.850 120.500 0.062 0.000 2.075 51 R HA -0.065 4.286 4.340 0.018 0.000 0.232 51 R C 2.468 178.789 176.300 0.035 0.000 1.126 51 R CA 0.776 56.912 56.100 0.060 0.000 0.963 51 R CB -0.219 30.143 30.300 0.103 0.000 0.858 51 R HN 0.138 nan 8.270 nan 0.000 0.435 52 L N 0.394 121.638 121.223 0.034 0.000 2.046 52 L HA -0.193 4.158 4.340 0.018 0.000 0.208 52 L C 2.505 179.376 176.870 0.003 0.000 1.077 52 L CA 1.467 56.312 54.840 0.008 0.000 0.747 52 L CB -0.312 41.748 42.059 0.001 0.000 0.896 52 L HN 0.269 nan 8.230 nan 0.000 0.432 53 E N -0.091 120.113 120.200 0.007 0.000 2.158 53 E HA -0.151 4.210 4.350 0.018 0.000 0.191 53 E C 2.065 178.667 176.600 0.003 0.000 0.982 53 E CA 0.466 56.867 56.400 0.001 0.000 0.823 53 E CB 0.279 29.980 29.700 0.001 0.000 0.766 53 E HN 0.323 nan 8.360 nan 0.000 0.468 54 K N -0.986 119.419 120.400 0.009 0.000 2.211 54 K HA -0.069 4.262 4.320 0.018 0.000 0.203 54 K C 1.374 177.978 176.600 0.006 0.000 1.050 54 K CA 1.248 57.540 56.287 0.009 0.000 0.945 54 K CB 0.395 32.904 32.500 0.014 0.000 0.732 54 K HN 0.293 nan 8.250 nan 0.000 0.451 55 G N -0.553 108.250 108.800 0.005 0.000 3.859 55 G HA2 0.013 3.984 3.960 0.018 0.000 0.220 55 G HA3 0.013 3.984 3.960 0.018 0.000 0.220 55 G C -0.027 174.872 174.900 -0.002 0.000 0.892 55 G CA -0.014 45.087 45.100 0.001 0.000 0.858 55 G HN 0.377 nan 8.290 nan 0.000 0.625 56 A N 0.798 123.617 122.820 -0.001 0.000 2.332 56 A HA 0.753 5.084 4.320 0.018 0.000 0.258 56 A C 0.839 178.411 177.584 -0.019 0.000 1.087 56 A CA 0.918 52.949 52.037 -0.010 0.000 0.802 56 A CB 0.335 19.330 19.000 -0.007 0.000 1.042 56 A HN 1.408 nan 8.150 nan 0.000 0.489 57 T N -2.253 112.283 114.554 -0.030 0.000 2.945 57 T HA 0.440 4.801 4.350 0.018 0.000 0.286 57 T C 1.286 175.953 174.700 -0.054 0.000 1.025 57 T CA 0.198 62.279 62.100 -0.031 0.000 1.039 57 T CB 0.893 69.748 68.868 -0.022 0.000 1.068 57 T HN 1.082 nan 8.240 nan 0.000 0.497 58 T N -0.328 114.206 114.554 -0.033 0.000 2.699 58 T HA -0.201 4.160 4.350 0.018 0.000 0.268 58 T C 1.270 175.901 174.700 -0.115 0.000 1.036 58 T CA 1.783 63.859 62.100 -0.040 0.000 1.147 58 T CB -0.765 68.163 68.868 0.101 0.000 0.862 58 T HN 0.745 nan 8.240 nan 0.000 0.446 59 D N 1.543 121.911 120.400 -0.053 0.000 2.144 59 D HA -0.090 4.561 4.640 0.018 0.000 0.200 59 D C 1.674 177.888 176.300 -0.144 0.000 0.978 59 D CA 1.163 55.106 54.000 -0.095 0.000 0.833 59 D CB -0.350 40.450 40.800 -0.000 0.000 0.961 59 D HN 0.356 nan 8.370 nan 0.000 0.470 60 D N 0.607 120.943 120.400 -0.107 0.000 2.218 60 D HA -0.065 4.586 4.640 0.018 0.000 0.204 60 D C 1.502 177.717 176.300 -0.143 0.000 0.976 60 D CA 0.626 54.567 54.000 -0.097 0.000 0.853 60 D CB 0.098 40.861 40.800 -0.062 0.000 0.939 60 D HN 0.314 nan 8.370 nan 0.000 0.481 61 L N -0.182 120.905 121.223 -0.227 0.000 3.168 61 L HA 0.278 4.629 4.340 0.018 0.000 0.277 61 L C 1.561 178.181 176.870 -0.417 0.000 1.245 61 L CA -0.224 54.420 54.840 -0.326 0.000 1.035 61 L CB 0.354 42.131 42.059 -0.470 0.000 1.399 61 L HN -0.109 nan 8.230 nan 0.000 0.580 62 L N 0.131 121.111 121.223 -0.404 0.000 1.937 62 L HA -0.157 4.194 4.340 0.018 0.000 0.213 62 L C 2.453 179.065 176.870 -0.430 0.000 1.077 62 L CA 1.660 56.145 54.840 -0.591 0.000 0.758 62 L CB -0.080 41.574 42.059 -0.676 0.000 0.888 62 L HN 0.055 nan 8.230 nan 0.000 0.433 63 V N 0.214 119.985 119.914 -0.238 0.000 2.257 63 V HA -0.441 3.690 4.120 0.018 0.000 0.257 63 V C 2.449 178.531 176.094 -0.019 0.000 1.077 63 V CA 2.550 64.808 62.300 -0.069 0.000 1.063 63 V CB -0.908 30.906 31.823 -0.015 0.000 0.664 63 V HN 0.566 nan 8.190 nan 0.000 0.450 64 E N 0.053 120.224 120.200 -0.049 0.000 2.028 64 E HA -0.132 4.229 4.350 0.018 0.000 0.191 64 E C 2.383 178.989 176.600 0.011 0.000 0.988 64 E CA 1.155 57.581 56.400 0.043 0.000 0.799 64 E CB -0.427 29.348 29.700 0.125 0.000 0.755 64 E HN 0.601 nan 8.360 nan 0.000 0.447 65 A N 1.367 124.072 122.820 -0.192 0.000 1.892 65 A HA -0.204 4.127 4.320 0.018 0.000 0.218 65 A C 2.044 179.750 177.584 0.202 0.000 1.188 65 A CA 1.315 53.359 52.037 0.012 0.000 0.631 65 A CB -1.032 17.894 19.000 -0.124 0.000 0.822 65 A HN 0.246 nan 8.150 nan 0.000 0.447 66 F N -0.235 119.666 119.950 -0.082 0.000 2.134 66 F HA -0.192 4.346 4.527 0.018 0.000 0.299 66 F C 2.906 178.600 175.800 -0.177 0.000 1.097 66 F CA 0.429 58.362 58.000 -0.112 0.000 1.264 66 F CB -0.122 38.805 39.000 -0.121 0.000 1.001 66 F HN 0.347 nan 8.300 nan 0.000 0.479 67 A N -0.162 122.659 122.820 0.001 0.000 1.940 67 A HA -0.172 4.159 4.320 0.018 0.000 0.219 67 A C 2.196 179.554 177.584 -0.378 0.000 1.176 67 A CA 1.784 53.708 52.037 -0.189 0.000 0.631 67 A CB -1.133 17.755 19.000 -0.187 0.000 0.814 67 A HN 0.205 nan 8.150 nan 0.000 0.446 68 V N -0.573 119.109 119.914 -0.387 0.000 2.307 68 V HA -0.203 3.928 4.120 0.018 0.000 0.245 68 V C 2.563 178.542 176.094 -0.191 0.000 1.045 68 V CA 1.923 64.035 62.300 -0.313 0.000 1.024 68 V CB -0.624 31.152 31.823 -0.078 0.000 0.651 68 V HN 0.376 nan 8.190 nan 0.000 0.449 69 V N -0.208 119.575 119.914 -0.219 0.000 2.427 69 V HA -0.244 3.888 4.120 0.018 0.000 0.248 69 V C 2.533 178.504 176.094 -0.205 0.000 1.051 69 V CA 2.155 64.310 62.300 -0.243 0.000 1.048 69 V CB -0.783 30.905 31.823 -0.227 0.000 0.666 69 V HN 0.460 nan 8.190 nan 0.000 0.456 70 R N 0.131 120.489 120.500 -0.235 0.000 2.082 70 R HA -0.253 4.098 4.340 0.018 0.000 0.234 70 R C 2.434 178.692 176.300 -0.070 0.000 1.136 70 R CA 2.252 58.157 56.100 -0.325 0.000 0.935 70 R CB -0.272 29.707 30.300 -0.535 0.000 0.842 70 R HN 0.532 nan 8.270 nan 0.000 0.430 71 E N 0.358 120.614 120.200 0.092 0.000 2.085 71 E HA -0.167 4.194 4.350 0.018 0.000 0.194 71 E C 1.639 178.279 176.600 0.066 0.000 0.994 71 E CA 1.772 58.306 56.400 0.223 0.000 0.801 71 E CB -0.288 29.532 29.700 0.201 0.000 0.743 71 E HN 0.424 nan 8.360 nan 0.000 0.453 72 A N 0.262 123.085 122.820 0.005 0.000 1.849 72 A HA -0.284 4.047 4.320 0.018 0.000 0.217 72 A C 2.498 179.972 177.584 -0.183 0.000 1.202 72 A CA 2.680 54.676 52.037 -0.069 0.000 0.629 72 A CB -1.547 17.475 19.000 0.038 0.000 0.834 72 A HN 0.390 nan 8.150 nan 0.000 0.447 73 S N -0.420 115.191 115.700 -0.148 0.000 2.380 73 S HA -0.336 4.145 4.470 0.018 0.000 0.229 73 S C 2.223 176.748 174.600 -0.125 0.000 1.050 73 S CA 2.433 60.535 58.200 -0.164 0.000 1.100 73 S CB -0.461 62.629 63.200 -0.182 0.000 0.984 73 S HN 0.617 nan 8.310 nan 0.000 0.434 74 R N 1.111 121.598 120.500 -0.022 0.000 2.139 74 R HA 0.010 4.361 4.340 0.018 0.000 0.243 74 R C 2.285 178.527 176.300 -0.096 0.000 1.145 74 R CA 1.804 57.907 56.100 0.006 0.000 0.976 74 R CB -0.494 29.897 30.300 0.152 0.000 0.866 74 R HN 0.511 nan 8.270 nan 0.000 0.449 75 R N -1.125 119.281 120.500 -0.158 0.000 2.173 75 R HA 0.125 4.476 4.340 0.018 0.000 0.208 75 R C 1.886 178.013 176.300 -0.288 0.000 1.035 75 R CA 0.996 56.956 56.100 -0.232 0.000 1.004 75 R CB 0.279 30.395 30.300 -0.308 0.000 0.917 75 R HN 0.097 nan 8.270 nan 0.000 0.462 76 V N 0.097 119.823 119.914 -0.313 0.000 2.521 76 V HA -0.099 4.032 4.120 0.018 0.000 0.239 76 V C 2.240 178.227 176.094 -0.178 0.000 1.053 76 V CA 1.985 64.118 62.300 -0.279 0.000 1.073 76 V CB 0.304 31.935 31.823 -0.320 0.000 0.746 76 V HN 0.413 nan 8.190 nan 0.000 0.476 77 T N -2.766 111.691 114.554 -0.161 0.000 3.035 77 T HA 0.307 4.668 4.350 0.018 0.000 0.259 77 T C 1.600 176.239 174.700 -0.103 0.000 1.078 77 T CA 1.233 63.258 62.100 -0.125 0.000 1.132 77 T CB 0.726 69.517 68.868 -0.128 0.000 0.900 77 T HN 0.907 nan 8.240 nan 0.000 0.480 78 G N 1.632 110.370 108.800 -0.104 0.000 2.238 78 G HA2 -0.178 3.793 3.960 0.018 0.000 0.217 78 G HA3 -0.178 3.793 3.960 0.018 0.000 0.217 78 G C 0.014 174.869 174.900 -0.075 0.000 0.996 78 G CA -0.112 44.938 45.100 -0.084 0.000 0.632 78 G HN 0.606 nan 8.290 nan 0.000 0.503 79 M N 0.648 120.195 119.600 -0.088 0.000 2.129 79 M HA 0.647 5.138 4.480 0.018 0.000 0.348 79 M C -0.667 175.580 176.300 -0.088 0.000 1.116 79 M CA -0.796 54.436 55.300 -0.113 0.000 1.022 79 M CB 1.530 34.043 32.600 -0.144 0.000 1.599 79 M HN 0.033 nan 8.290 nan 0.000 0.449 80 F N 5.764 125.535 119.950 -0.299 0.000 2.334 80 F HA 0.475 5.013 4.527 0.019 0.000 0.365 80 F C -2.068 173.475 175.800 -0.427 0.000 1.124 80 F CA -2.702 55.122 58.000 -0.294 0.000 1.166 80 F CB 0.379 39.243 39.000 -0.227 0.000 1.355 80 F HN 0.354 nan 8.300 nan 0.000 0.532 81 P HA -0.111 nan 4.420 nan 0.000 0.263 81 P C -0.516 176.470 177.300 -0.524 0.000 1.168 81 P CA 0.638 63.414 63.100 -0.539 0.000 0.759 81 P CB 0.123 31.564 31.700 -0.432 0.000 0.782 82 F N 1.452 121.306 119.950 -0.159 0.000 2.435 82 F HA 0.172 4.710 4.527 0.018 0.000 0.316 82 F C 2.114 177.837 175.800 -0.128 0.000 1.220 82 F CA -0.157 57.778 58.000 -0.109 0.000 1.241 82 F CB 0.041 39.007 39.000 -0.056 0.000 1.234 82 F HN 0.260 nan 8.300 nan 0.000 0.569 83 K N 0.471 120.952 120.400 0.134 0.000 2.103 83 K HA -0.138 4.193 4.320 0.018 0.000 0.207 83 K C 1.910 178.533 176.600 0.039 0.000 1.048 83 K CA 1.743 58.059 56.287 0.048 0.000 0.930 83 K CB -0.511 32.025 32.500 0.061 0.000 0.716 83 K HN 0.604 nan 8.250 nan 0.000 0.444 84 V N 0.038 119.989 119.914 0.062 0.000 2.343 84 V HA -0.294 3.838 4.120 0.018 0.000 0.247 84 V C 2.123 178.224 176.094 0.011 0.000 1.051 84 V CA 1.523 63.840 62.300 0.029 0.000 1.036 84 V CB -0.898 30.924 31.823 -0.002 0.000 0.654 84 V HN 0.280 nan 8.190 nan 0.000 0.451 85 Q N 0.681 120.496 119.800 0.025 0.000 2.016 85 Q HA -0.079 4.272 4.340 0.018 0.000 0.200 85 Q C 2.446 178.354 176.000 -0.153 0.000 0.978 85 Q CA 1.949 57.721 55.803 -0.051 0.000 0.833 85 Q CB -0.532 28.178 28.738 -0.047 0.000 0.895 85 Q HN 0.607 nan 8.270 nan 0.000 0.427 86 L N 0.388 121.498 121.223 -0.189 0.000 2.054 86 L HA -0.295 4.056 4.340 0.018 0.000 0.220 86 L C 2.694 179.476 176.870 -0.146 0.000 1.081 86 L CA 1.535 56.223 54.840 -0.254 0.000 0.780 86 L CB -0.676 41.291 42.059 -0.154 0.000 0.893 86 L HN 0.299 nan 8.230 nan 0.000 0.438 87 M N -0.429 119.133 119.600 -0.063 0.000 2.080 87 M HA -0.179 4.312 4.480 0.018 0.000 0.260 87 M C 2.396 178.628 176.300 -0.113 0.000 1.068 87 M CA 2.023 57.298 55.300 -0.040 0.000 1.109 87 M CB -1.000 31.633 32.600 0.055 0.000 1.342 87 M HN 0.458 nan 8.290 nan 0.000 0.405 88 G N -0.106 108.645 108.800 -0.082 0.000 2.529 88 G HA2 -0.246 3.725 3.960 0.018 0.000 0.219 88 G HA3 -0.246 3.725 3.960 0.018 0.000 0.219 88 G C 1.450 176.293 174.900 -0.094 0.000 1.177 88 G CA 1.252 46.304 45.100 -0.080 0.000 0.773 88 G HN 0.580 nan 8.290 nan 0.000 0.573 89 G N 0.348 109.073 108.800 -0.125 0.000 2.476 89 G HA2 -0.191 3.780 3.960 0.018 0.000 0.218 89 G HA3 -0.191 3.780 3.960 0.018 0.000 0.218 89 G C 1.831 176.857 174.900 0.210 0.000 1.164 89 G CA 1.653 46.751 45.100 -0.002 0.000 0.768 89 G HN 0.403 nan 8.290 nan 0.000 0.560 90 V N 1.736 121.689 119.914 0.064 0.000 2.287 90 V HA -0.159 3.972 4.120 0.018 0.000 0.248 90 V C 3.343 179.241 176.094 -0.327 0.000 1.053 90 V CA 2.022 64.204 62.300 -0.196 0.000 1.027 90 V CB -1.270 30.166 31.823 -0.645 0.000 0.646 90 V HN 0.495 nan 8.190 nan 0.000 0.447 91 A N 0.392 122.945 122.820 -0.445 0.000 1.903 91 A HA -0.237 4.094 4.320 0.018 0.000 0.219 91 A C 2.227 179.800 177.584 -0.018 0.000 1.191 91 A CA 2.458 54.406 52.037 -0.149 0.000 0.638 91 A CB -0.678 18.305 19.000 -0.027 0.000 0.823 91 A HN 0.547 nan 8.150 nan 0.000 0.451 92 L N -1.862 119.370 121.223 0.014 0.000 2.072 92 L HA -0.140 4.211 4.340 0.018 0.000 0.205 92 L C 2.659 179.618 176.870 0.149 0.000 1.079 92 L CA 1.456 56.347 54.840 0.085 0.000 0.752 92 L CB -0.772 41.347 42.059 0.100 0.000 0.906 92 L HN 0.598 nan 8.230 nan 0.000 0.436 93 H N 0.445 119.558 119.070 0.070 0.000 2.456 93 H HA -0.159 4.408 4.556 0.018 0.000 0.296 93 H C 0.833 176.116 175.328 -0.074 0.000 1.079 93 H CA 1.426 57.485 56.048 0.017 0.000 1.322 93 H CB 0.228 29.969 29.762 -0.035 0.000 1.388 93 H HN 0.328 nan 8.280 nan 0.000 0.538 94 D N -0.023 120.355 120.400 -0.037 0.000 2.336 94 D HA 0.070 4.721 4.640 0.018 0.000 0.229 94 D C 1.140 177.381 176.300 -0.098 0.000 1.061 94 D CA 0.826 54.791 54.000 -0.058 0.000 0.875 94 D CB -0.401 40.450 40.800 0.085 0.000 0.904 94 D HN 0.608 nan 8.370 nan 0.000 0.525 95 G N 1.398 110.124 108.800 -0.125 0.000 2.295 95 G HA2 -0.280 3.691 3.960 0.018 0.000 0.287 95 G HA3 -0.280 3.691 3.960 0.018 0.000 0.287 95 G C 0.258 175.135 174.900 -0.037 0.000 1.055 95 G CA -0.065 44.980 45.100 -0.092 0.000 0.922 95 G HN 0.211 nan 8.290 nan 0.000 0.503 96 N N -0.771 117.919 118.700 -0.017 0.000 2.671 96 N HA 0.611 5.362 4.740 0.018 0.000 0.303 96 N C 0.482 175.945 175.510 -0.078 0.000 1.277 96 N CA -0.762 52.276 53.050 -0.022 0.000 0.933 96 N CB 0.722 39.229 38.487 0.034 0.000 1.190 96 N HN 0.055 nan 8.380 nan 0.000 0.600 97 I N 1.088 121.587 120.570 -0.119 0.000 2.315 97 I HA 0.252 4.434 4.170 0.018 0.000 0.291 97 I C 0.206 176.260 176.117 -0.106 0.000 1.006 97 I CA -0.636 60.541 61.300 -0.205 0.000 1.265 97 I CB 0.626 38.401 38.000 -0.374 0.000 1.387 97 I HN 0.389 nan 8.210 nan 0.000 0.475 98 A N 6.272 129.034 122.820 -0.096 0.000 2.279 98 A HA 0.261 4.592 4.320 0.018 0.000 0.306 98 A C 0.302 177.850 177.584 -0.061 0.000 1.300 98 A CA -0.488 51.520 52.037 -0.049 0.000 0.925 98 A CB 0.050 19.023 19.000 -0.047 0.000 1.152 98 A HN 0.780 nan 8.150 nan 0.000 0.544 99 E N 3.942 124.123 120.200 -0.033 0.000 2.014 99 E HA 0.489 4.850 4.350 0.018 0.000 0.275 99 E C -0.731 175.863 176.600 -0.010 0.000 0.997 99 E CA -0.125 56.261 56.400 -0.023 0.000 0.804 99 E CB 0.262 29.961 29.700 -0.003 0.000 1.090 99 E HN 0.689 nan 8.360 nan 0.000 0.401 100 M N 3.468 123.057 119.600 -0.018 0.000 2.530 100 M HA 0.441 4.932 4.480 0.018 0.000 0.307 100 M C -0.248 176.046 176.300 -0.011 0.000 1.161 100 M CA -1.134 54.158 55.300 -0.013 0.000 0.903 100 M CB 2.146 34.736 32.600 -0.018 0.000 1.711 100 M HN 0.142 nan 8.290 nan 0.000 0.451 101 K N 0.978 121.373 120.400 -0.008 0.000 2.107 101 K HA 0.340 4.671 4.320 0.018 0.000 0.251 101 K C -0.315 176.283 176.600 -0.003 0.000 1.012 101 K CA -0.241 56.044 56.287 -0.002 0.000 0.920 101 K CB 0.676 33.177 32.500 0.001 0.000 1.033 101 K HN 0.632 nan 8.250 nan 0.000 0.478 102 T N 0.802 115.359 114.554 0.004 0.000 2.831 102 T HA 0.198 4.559 4.350 0.018 0.000 0.291 102 T C 0.996 175.697 174.700 0.002 0.000 0.981 102 T CA 1.304 63.407 62.100 0.005 0.000 1.174 102 T CB -0.035 68.841 68.868 0.013 0.000 0.929 102 T HN 0.757 nan 8.240 nan 0.000 0.532 103 G N 3.166 111.967 108.800 0.002 0.000 2.138 103 G HA2 -0.166 3.805 3.960 0.018 0.000 0.193 103 G HA3 -0.166 3.805 3.960 0.018 0.000 0.193 103 G C 0.654 175.553 174.900 -0.002 0.000 0.998 103 G CA -0.188 44.913 45.100 0.002 0.000 0.668 103 G HN 0.621 nan 8.290 nan 0.000 0.516 104 E N -0.253 119.946 120.200 -0.002 0.000 2.389 104 E HA 0.321 4.682 4.350 0.018 0.000 0.199 104 E C 1.699 178.316 176.600 0.029 0.000 0.978 104 E CA 1.169 57.567 56.400 -0.004 0.000 0.912 104 E CB 0.415 30.105 29.700 -0.016 0.000 0.907 104 E HN 1.576 nan 8.360 nan 0.000 0.494 105 G N 2.360 111.173 108.800 0.022 0.000 2.226 105 G HA2 -0.231 3.740 3.960 0.018 0.000 0.176 105 G HA3 -0.231 3.740 3.960 0.018 0.000 0.176 105 G C 0.763 175.656 174.900 -0.011 0.000 1.042 105 G CA 0.354 45.467 45.100 0.022 0.000 0.732 105 G HN 0.152 nan 8.290 nan 0.000 0.494 106 K N -0.487 119.902 120.400 -0.019 0.000 2.009 106 K HA -0.097 4.234 4.320 0.018 0.000 0.210 106 K C 2.605 179.182 176.600 -0.038 0.000 1.049 106 K CA 1.928 58.194 56.287 -0.034 0.000 0.929 106 K CB -0.358 32.120 32.500 -0.037 0.000 0.714 106 K HN 0.322 nan 8.250 nan 0.000 0.440 107 T N 2.266 116.803 114.554 -0.028 0.000 2.653 107 T HA -0.182 4.179 4.350 0.018 0.000 0.268 107 T C 1.801 176.478 174.700 -0.038 0.000 1.035 107 T CA 1.290 63.380 62.100 -0.017 0.000 1.154 107 T CB -0.307 68.553 68.868 -0.013 0.000 0.862 107 T HN 0.043 nan 8.240 nan 0.000 0.441 108 L N 1.023 122.207 121.223 -0.065 0.000 1.989 108 L HA -0.127 4.224 4.340 0.018 0.000 0.211 108 L C 2.696 179.493 176.870 -0.122 0.000 1.071 108 L CA 1.947 56.721 54.840 -0.109 0.000 0.749 108 L CB -1.364 40.623 42.059 -0.120 0.000 0.890 108 L HN 0.253 nan 8.230 nan 0.000 0.431 109 T N -1.030 113.458 114.554 -0.109 0.000 2.737 109 T HA -0.219 4.142 4.350 0.018 0.000 0.269 109 T C 2.064 176.707 174.700 -0.096 0.000 1.040 109 T CA 1.654 63.671 62.100 -0.138 0.000 1.142 109 T CB -0.543 68.262 68.868 -0.106 0.000 0.861 109 T HN 0.664 nan 8.240 nan 0.000 0.456 110 S N 1.916 117.591 115.700 -0.041 0.000 2.382 110 S HA -0.200 4.282 4.470 0.018 0.000 0.228 110 S C 2.333 177.004 174.600 0.119 0.000 1.027 110 S CA 1.890 60.097 58.200 0.012 0.000 0.991 110 S CB -1.294 61.905 63.200 -0.002 0.000 0.823 110 S HN 0.732 nan 8.310 nan 0.000 0.469 111 T N 1.408 116.025 114.554 0.105 0.000 2.699 111 T HA -0.109 4.252 4.350 0.018 0.000 0.268 111 T C 1.804 176.685 174.700 0.302 0.000 1.036 111 T CA 1.499 63.723 62.100 0.206 0.000 1.147 111 T CB -1.035 67.697 68.868 -0.227 0.000 0.862 111 T HN 0.398 nan 8.240 nan 0.000 0.446 112 L N 1.707 122.965 121.223 0.060 0.000 1.944 112 L HA -0.039 4.312 4.340 0.018 0.000 0.218 112 L C 0.050 177.269 176.870 0.581 0.000 1.075 112 L CA 2.059 56.906 54.840 0.012 0.000 0.767 112 L CB -1.337 40.249 42.059 -0.789 0.000 0.890 112 L HN 0.310 nan 8.230 nan 0.000 0.434 113 P HA -0.041 nan 4.420 nan 0.000 0.224 113 P C 1.870 179.424 177.300 0.423 0.000 1.157 113 P CA 0.857 64.312 63.100 0.592 0.000 0.799 113 P CB 0.121 32.128 31.700 0.512 0.000 0.809 114 V N 0.133 120.232 119.914 0.308 0.000 2.231 114 V HA -0.297 3.834 4.120 0.018 0.000 0.248 114 V C 2.569 178.757 176.094 0.157 0.000 1.054 114 V CA 2.216 64.601 62.300 0.140 0.000 1.015 114 V CB -1.633 30.249 31.823 0.098 0.000 0.638 114 V HN -0.001 nan 8.190 nan 0.000 0.444 115 Y N 0.483 120.935 120.300 0.253 0.000 2.014 115 Y HA -0.352 4.209 4.550 0.018 0.000 0.272 115 Y C 2.350 178.365 175.900 0.191 0.000 1.164 115 Y CA 2.301 60.551 58.100 0.249 0.000 1.114 115 Y CB -0.696 38.023 38.460 0.431 0.000 0.961 115 Y HN 0.180 nan 8.280 nan 0.000 0.489 116 L N 1.543 122.931 121.223 0.275 0.000 2.010 116 L HA -0.339 4.012 4.340 0.018 0.000 0.219 116 L C 1.744 178.614 176.870 0.001 0.000 1.077 116 L CA 2.482 57.356 54.840 0.057 0.000 0.773 116 L CB -1.181 40.915 42.059 0.061 0.000 0.892 116 L HN 0.432 nan 8.230 nan 0.000 0.436 117 N N -0.825 117.962 118.700 0.146 0.000 2.461 117 N HA 0.054 4.805 4.740 0.018 0.000 0.188 117 N C 1.308 176.910 175.510 0.154 0.000 1.134 117 N CA 0.809 53.969 53.050 0.184 0.000 0.878 117 N CB 0.159 38.842 38.487 0.327 0.000 0.972 117 N HN 0.514 nan 8.380 nan 0.000 0.456 118 A N 0.209 123.033 122.820 0.007 0.000 2.267 118 A HA 0.205 4.536 4.320 0.018 0.000 0.213 118 A C 2.036 179.563 177.584 -0.094 0.000 1.192 118 A CA -0.143 51.865 52.037 -0.049 0.000 0.851 118 A CB -0.043 18.861 19.000 -0.160 0.000 0.881 118 A HN 0.115 nan 8.150 nan 0.000 0.494 119 L N 0.272 121.409 121.223 -0.145 0.000 2.291 119 L HA -0.112 4.240 4.340 0.018 0.000 0.214 119 L C 2.690 179.523 176.870 -0.060 0.000 1.120 119 L CA 1.570 56.329 54.840 -0.136 0.000 0.799 119 L CB -0.774 41.187 42.059 -0.163 0.000 0.925 119 L HN 0.554 nan 8.230 nan 0.000 0.446 120 T N -2.792 111.738 114.554 -0.041 0.000 2.833 120 T HA -0.043 4.318 4.350 0.018 0.000 0.269 120 T C 1.665 176.334 174.700 -0.052 0.000 1.054 120 T CA 0.930 63.002 62.100 -0.046 0.000 1.135 120 T CB -0.307 68.520 68.868 -0.068 0.000 0.869 120 T HN 0.495 nan 8.240 nan 0.000 0.466 121 G N 1.318 110.093 108.800 -0.042 0.000 2.176 121 G HA2 -0.301 3.670 3.960 0.018 0.000 0.253 121 G HA3 -0.301 3.670 3.960 0.018 0.000 0.253 121 G C 0.814 175.695 174.900 -0.033 0.000 0.979 121 G CA 0.460 45.541 45.100 -0.031 0.000 0.641 121 G HN 0.546 nan 8.290 nan 0.000 0.530 122 K N 0.317 120.671 120.400 -0.077 0.000 2.211 122 K HA 0.362 4.693 4.320 0.018 0.000 0.203 122 K C 1.504 178.133 176.600 0.048 0.000 1.050 122 K CA 0.846 57.064 56.287 -0.116 0.000 0.945 122 K CB -0.103 32.097 32.500 -0.501 0.000 0.732 122 K HN 1.657 nan 8.250 nan 0.000 0.451 123 G N -0.044 108.814 108.800 0.097 0.000 2.663 123 G HA2 -0.106 3.865 3.960 0.018 0.000 0.686 123 G HA3 -0.106 3.865 3.960 0.018 0.000 0.686 123 G C -1.103 173.925 174.900 0.215 0.000 1.246 123 G CA -0.921 44.246 45.100 0.112 0.000 0.795 123 G HN -0.008 nan 8.290 nan 0.000 0.627 124 V N 2.148 122.063 119.914 0.001 0.000 2.888 124 V HA 0.641 4.772 4.120 0.018 0.000 0.309 124 V C -0.564 175.363 176.094 -0.278 0.000 1.114 124 V CA -1.036 61.244 62.300 -0.034 0.000 0.940 124 V CB 2.306 34.052 31.823 -0.129 0.000 1.021 124 V HN 0.927 nan 8.190 nan 0.000 0.426 125 H N 2.379 121.341 119.070 -0.180 0.000 2.646 125 H HA 0.497 5.064 4.556 0.018 0.000 0.328 125 H C -1.161 173.948 175.328 -0.365 0.000 0.998 125 H CA -0.454 55.489 56.048 -0.176 0.000 1.225 125 H CB 2.292 32.088 29.762 0.057 0.000 1.457 125 H HN 0.373 nan 8.280 nan 0.000 0.505 126 V N 5.304 124.970 119.914 -0.413 0.000 2.318 126 V HA 0.097 4.228 4.120 0.018 0.000 0.271 126 V C 0.287 176.188 176.094 -0.321 0.000 1.030 126 V CA -0.652 61.332 62.300 -0.526 0.000 0.844 126 V CB 1.056 32.285 31.823 -0.991 0.000 1.015 126 V HN 0.429 nan 8.190 nan 0.000 0.460 127 V N 4.113 123.907 119.914 -0.201 0.000 2.407 127 V HA 0.556 4.687 4.120 0.018 0.000 0.278 127 V C 0.370 176.414 176.094 -0.084 0.000 1.037 127 V CA -0.059 62.192 62.300 -0.082 0.000 0.900 127 V CB 1.386 33.176 31.823 -0.055 0.000 0.983 127 V HN 0.840 nan 8.190 nan 0.000 0.459 128 T N 2.050 116.592 114.554 -0.020 0.000 2.883 128 T HA 0.437 4.798 4.350 0.018 0.000 0.284 128 T C 0.965 175.646 174.700 -0.032 0.000 1.041 128 T CA 0.140 62.221 62.100 -0.030 0.000 1.007 128 T CB 1.929 70.798 68.868 0.002 0.000 1.220 128 T HN 0.596 nan 8.240 nan 0.000 0.552 129 V N 0.616 120.498 119.914 -0.052 0.000 2.719 129 V HA 0.258 4.389 4.120 0.018 0.000 0.252 129 V C 0.374 176.434 176.094 -0.057 0.000 1.065 129 V CA 1.255 63.515 62.300 -0.066 0.000 1.086 129 V CB -1.232 30.546 31.823 -0.074 0.000 0.700 129 V HN 0.870 nan 8.190 nan 0.000 0.467 130 N N -2.352 116.309 118.700 -0.064 0.000 2.591 130 N HA 0.258 5.010 4.740 0.018 0.000 0.263 130 N C 0.325 175.832 175.510 -0.005 0.000 1.308 130 N CA -0.442 52.560 53.050 -0.079 0.000 0.837 130 N CB 0.989 39.275 38.487 -0.335 0.000 1.548 130 N HN -0.066 nan 8.380 nan 0.000 0.493 131 E N 0.435 120.664 120.200 0.048 0.000 2.095 131 E HA -0.332 4.029 4.350 0.018 0.000 0.212 131 E C 1.102 177.753 176.600 0.085 0.000 1.044 131 E CA 2.214 58.666 56.400 0.088 0.000 0.857 131 E CB -0.684 29.091 29.700 0.126 0.000 0.764 131 E HN 0.755 nan 8.360 nan 0.000 0.462 132 Y N 1.351 121.651 120.300 0.001 0.000 2.128 132 Y HA -0.180 4.381 4.550 0.019 0.000 0.284 132 Y C 2.369 178.263 175.900 -0.009 0.000 1.154 132 Y CA 1.561 59.666 58.100 0.009 0.000 1.149 132 Y CB -0.473 38.009 38.460 0.037 0.000 0.976 132 Y HN -0.045 nan 8.280 nan 0.000 0.505 133 L N -0.210 120.925 121.223 -0.146 0.000 2.201 133 L HA -0.169 4.182 4.340 0.018 0.000 0.212 133 L C 2.707 179.480 176.870 -0.162 0.000 1.105 133 L CA 0.812 55.520 54.840 -0.221 0.000 0.775 133 L CB -0.951 41.082 42.059 -0.044 0.000 0.913 133 L HN 0.417 nan 8.230 nan 0.000 0.440 134 A N -0.024 122.754 122.820 -0.069 0.000 1.821 134 A HA -0.193 4.138 4.320 0.018 0.000 0.215 134 A C 2.459 179.951 177.584 -0.153 0.000 1.214 134 A CA 1.870 53.909 52.037 0.002 0.000 0.608 134 A CB -0.944 18.105 19.000 0.082 0.000 0.862 134 A HN 0.325 nan 8.150 nan 0.000 0.448 135 S N -0.362 115.256 115.700 -0.136 0.000 2.399 135 S HA -0.321 4.161 4.470 0.018 0.000 0.235 135 S C 2.081 176.530 174.600 -0.252 0.000 1.063 135 S CA 1.964 60.067 58.200 -0.161 0.000 1.070 135 S CB -0.528 62.620 63.200 -0.086 0.000 0.904 135 S HN 0.626 nan 8.310 nan 0.000 0.456 136 R N 1.167 121.447 120.500 -0.366 0.000 2.064 136 R HA -0.127 4.224 4.340 0.018 0.000 0.228 136 R C 1.572 177.690 176.300 -0.303 0.000 1.144 136 R CA 1.926 57.804 56.100 -0.370 0.000 0.932 136 R CB -0.544 29.407 30.300 -0.581 0.000 0.833 136 R HN 0.226 nan 8.270 nan 0.000 0.429 137 D N 0.562 120.784 120.400 -0.298 0.000 2.158 137 D HA -0.164 4.487 4.640 0.018 0.000 0.197 137 D C 1.699 177.648 176.300 -0.584 0.000 0.995 137 D CA 1.603 55.433 54.000 -0.284 0.000 0.846 137 D CB -0.253 40.502 40.800 -0.074 0.000 0.941 137 D HN 0.450 nan 8.370 nan 0.000 0.456 138 A N 0.546 122.872 122.820 -0.824 0.000 1.898 138 A HA -0.187 4.144 4.320 0.018 0.000 0.216 138 A C 2.153 179.495 177.584 -0.404 0.000 1.181 138 A CA 1.863 53.341 52.037 -0.932 0.000 0.620 138 A CB -0.533 18.099 19.000 -0.613 0.000 0.819 138 A HN 0.222 nan 8.150 nan 0.000 0.442 139 E N -0.253 119.780 120.200 -0.280 0.000 2.152 139 E HA -0.153 4.208 4.350 0.018 0.000 0.192 139 E C 2.055 178.571 176.600 -0.141 0.000 0.983 139 E CA 1.556 57.858 56.400 -0.163 0.000 0.818 139 E CB -0.150 29.473 29.700 -0.129 0.000 0.758 139 E HN 0.735 nan 8.360 nan 0.000 0.467 140 Q N -0.997 118.700 119.800 -0.171 0.000 2.200 140 Q HA 0.083 4.434 4.340 0.018 0.000 0.197 140 Q C 1.994 177.907 176.000 -0.146 0.000 0.953 140 Q CA 0.892 56.612 55.803 -0.137 0.000 0.851 140 Q CB 0.098 28.758 28.738 -0.130 0.000 0.938 140 Q HN 0.364 nan 8.270 nan 0.000 0.488 141 M N 0.076 119.573 119.600 -0.172 0.000 2.447 141 M HA 0.060 4.551 4.480 0.018 0.000 0.264 141 M C 2.072 178.270 176.300 -0.169 0.000 1.095 141 M CA 0.965 56.137 55.300 -0.214 0.000 1.125 141 M CB -0.919 31.584 32.600 -0.161 0.000 1.389 141 M HN 0.273 nan 8.290 nan 0.000 0.459 142 G N 1.995 110.755 108.800 -0.067 0.000 2.681 142 G HA2 -0.308 3.663 3.960 0.018 0.000 0.220 142 G HA3 -0.308 3.663 3.960 0.018 0.000 0.220 142 G C 1.692 176.624 174.900 0.055 0.000 1.210 142 G CA 1.429 46.561 45.100 0.055 0.000 0.783 142 G HN 0.412 nan 8.290 nan 0.000 0.609 143 K N -0.179 120.212 120.400 -0.015 0.000 2.013 143 K HA -0.201 4.130 4.320 0.018 0.000 0.225 143 K C 2.444 179.052 176.600 0.013 0.000 1.056 143 K CA 1.783 58.069 56.287 -0.001 0.000 0.971 143 K CB -0.533 31.939 32.500 -0.047 0.000 0.731 143 K HN 0.393 nan 8.250 nan 0.000 0.450 144 I N 0.521 121.024 120.570 -0.112 0.000 2.151 144 I HA -0.330 3.851 4.170 0.018 0.000 0.243 144 I C 2.005 178.113 176.117 -0.015 0.000 1.080 144 I CA 1.602 62.819 61.300 -0.137 0.000 1.339 144 I CB -0.090 37.728 38.000 -0.304 0.000 1.039 144 I HN 0.161 nan 8.210 nan 0.000 0.409 145 F N 1.141 121.171 119.950 0.133 0.000 2.134 145 F HA -0.222 4.316 4.527 0.018 0.000 0.299 145 F C 2.552 178.455 175.800 0.171 0.000 1.097 145 F CA 1.430 59.537 58.000 0.179 0.000 1.264 145 F CB -0.401 38.706 39.000 0.179 0.000 1.001 145 F HN 0.107 nan 8.300 nan 0.000 0.479 146 E N -0.093 120.299 120.200 0.321 0.000 2.110 146 E HA -0.242 4.119 4.350 0.018 0.000 0.193 146 E C 1.977 178.692 176.600 0.192 0.000 0.988 146 E CA 1.339 57.870 56.400 0.219 0.000 0.804 146 E CB -0.480 29.318 29.700 0.164 0.000 0.745 146 E HN 0.449 nan 8.360 nan 0.000 0.458 147 F N 1.500 121.497 119.950 0.079 0.000 2.161 147 F HA -0.139 4.399 4.527 0.018 0.000 0.300 147 F C 1.778 177.621 175.800 0.071 0.000 1.089 147 F CA 1.172 59.202 58.000 0.049 0.000 1.282 147 F CB 0.028 39.033 39.000 0.009 0.000 1.010 147 F HN -0.103 nan 8.300 nan 0.000 0.485 148 L N 0.054 121.335 121.223 0.097 0.000 2.599 148 L HA 0.221 4.572 4.340 0.018 0.000 0.230 148 L C 1.153 178.057 176.870 0.056 0.000 1.141 148 L CA 0.567 55.422 54.840 0.025 0.000 0.877 148 L CB -0.928 41.246 42.059 0.192 0.000 1.009 148 L HN 0.407 nan 8.230 nan 0.000 0.447 149 G N 1.038 109.871 108.800 0.055 0.000 2.467 149 G HA2 -0.194 3.778 3.960 0.018 0.000 0.242 149 G HA3 -0.194 3.778 3.960 0.018 0.000 0.242 149 G C -0.626 174.337 174.900 0.105 0.000 1.127 149 G CA -0.461 44.671 45.100 0.054 0.000 0.924 149 G HN 0.168 nan 8.290 nan 0.000 0.499 150 L N 0.192 121.503 121.223 0.146 0.000 2.409 150 L HA 0.718 5.069 4.340 0.018 0.000 0.262 150 L C 0.620 177.559 176.870 0.115 0.000 0.992 150 L CA -0.800 54.116 54.840 0.128 0.000 0.817 150 L CB 2.495 44.660 42.059 0.176 0.000 1.350 150 L HN 0.353 nan 8.230 nan 0.000 0.411 151 T N -0.274 114.318 114.554 0.063 0.000 2.743 151 T HA 0.562 4.923 4.350 0.018 0.000 0.293 151 T C -0.168 174.563 174.700 0.051 0.000 0.945 151 T CA -0.660 61.475 62.100 0.058 0.000 1.030 151 T CB 0.927 69.817 68.868 0.037 0.000 0.912 151 T HN 0.167 nan 8.240 nan 0.000 0.483 152 V N 2.748 122.719 119.914 0.095 0.000 2.644 152 V HA 0.808 4.939 4.120 0.018 0.000 0.295 152 V C 0.879 177.018 176.094 0.075 0.000 1.053 152 V CA -0.595 61.775 62.300 0.117 0.000 0.987 152 V CB 1.595 33.541 31.823 0.206 0.000 1.006 152 V HN 1.207 nan 8.190 nan 0.000 0.472 153 G N 2.874 111.721 108.800 0.077 0.000 2.687 153 G HA2 0.608 4.579 3.960 0.018 0.000 0.301 153 G HA3 0.608 4.579 3.960 0.018 0.000 0.301 153 G C -1.848 173.082 174.900 0.050 0.000 1.416 153 G CA -0.544 44.575 45.100 0.032 0.000 1.005 153 G HN 0.571 nan 8.290 nan 0.000 0.509 154 L N 1.827 123.064 121.223 0.024 0.000 2.296 154 L HA 0.660 5.011 4.340 0.018 0.000 0.286 154 L C -0.585 176.290 176.870 0.007 0.000 1.023 154 L CA -1.052 53.806 54.840 0.030 0.000 0.812 154 L CB 1.707 43.769 42.059 0.005 0.000 1.223 154 L HN 0.488 nan 8.230 nan 0.000 0.421 155 N N 5.569 124.270 118.700 0.002 0.000 2.469 155 N HA 0.570 5.322 4.740 0.018 0.000 0.253 155 N C -1.587 173.964 175.510 0.068 0.000 0.970 155 N CA -0.308 52.743 53.050 0.002 0.000 0.940 155 N CB 0.601 39.024 38.487 -0.107 0.000 1.128 155 N HN 0.658 nan 8.380 nan 0.000 0.503 156 L N 1.956 123.227 121.223 0.081 0.000 2.279 156 L HA 0.475 4.826 4.340 0.018 0.000 0.262 156 L C 1.509 178.445 176.870 0.111 0.000 1.019 156 L CA -0.971 53.927 54.840 0.097 0.000 0.823 156 L CB 1.349 43.455 42.059 0.078 0.000 1.358 156 L HN 0.547 nan 8.230 nan 0.000 0.432 157 N N -0.005 118.763 118.700 0.113 0.000 2.396 157 N HA -0.129 4.622 4.740 0.018 0.000 0.180 157 N C 1.413 176.965 175.510 0.070 0.000 1.028 157 N CA 1.365 54.476 53.050 0.102 0.000 0.893 157 N CB 0.378 38.926 38.487 0.102 0.000 0.967 157 N HN 0.724 nan 8.380 nan 0.000 0.440 158 S N 0.612 116.352 115.700 0.067 0.000 2.368 158 S HA -0.041 4.441 4.470 0.018 0.000 0.224 158 S C 1.292 175.924 174.600 0.052 0.000 1.029 158 S CA 0.317 58.548 58.200 0.052 0.000 0.988 158 S CB -0.367 62.863 63.200 0.050 0.000 0.838 158 S HN 0.219 nan 8.310 nan 0.000 0.462 159 M N 2.584 122.222 119.600 0.062 0.000 2.234 159 M HA 0.042 4.533 4.480 0.018 0.000 0.326 159 M C 0.782 177.121 176.300 0.064 0.000 1.077 159 M CA 0.001 55.339 55.300 0.063 0.000 1.052 159 M CB 0.016 32.661 32.600 0.074 0.000 1.607 159 M HN 0.267 nan 8.290 nan 0.000 0.445 160 S N 1.304 117.038 115.700 0.057 0.000 2.579 160 S HA 0.061 4.542 4.470 0.018 0.000 0.275 160 S C 0.996 175.638 174.600 0.070 0.000 1.345 160 S CA -0.356 57.876 58.200 0.054 0.000 1.031 160 S CB 0.571 63.799 63.200 0.046 0.000 0.892 160 S HN 0.690 nan 8.310 nan 0.000 0.529 161 K N 1.559 121.998 120.400 0.064 0.000 2.589 161 K HA -0.116 4.215 4.320 0.018 0.000 0.195 161 K C 0.722 177.369 176.600 0.079 0.000 1.040 161 K CA 0.842 57.174 56.287 0.075 0.000 0.950 161 K CB -0.029 32.508 32.500 0.060 0.000 0.781 161 K HN 0.600 nan 8.250 nan 0.000 0.486 162 D N 0.950 121.393 120.400 0.072 0.000 2.805 162 D HA -0.057 4.594 4.640 0.018 0.000 0.271 162 D C 1.209 177.557 176.300 0.081 0.000 1.166 162 D CA 0.737 54.778 54.000 0.068 0.000 1.004 162 D CB 0.128 40.959 40.800 0.050 0.000 1.136 162 D HN 0.064 nan 8.370 nan 0.000 0.444 163 E N 0.773 121.016 120.200 0.072 0.000 2.187 163 E HA -0.222 4.139 4.350 0.018 0.000 0.199 163 E C 2.129 178.786 176.600 0.095 0.000 1.004 163 E CA 1.133 57.576 56.400 0.072 0.000 0.813 163 E CB 0.051 29.787 29.700 0.060 0.000 0.736 163 E HN 0.265 nan 8.360 nan 0.000 0.468 164 K N 0.437 120.914 120.400 0.128 0.000 2.026 164 K HA -0.145 4.186 4.320 0.018 0.000 0.208 164 K C 2.277 179.054 176.600 0.295 0.000 1.048 164 K CA 1.092 57.500 56.287 0.201 0.000 0.929 164 K CB -0.103 32.542 32.500 0.243 0.000 0.713 164 K HN -0.019 nan 8.250 nan 0.000 0.439 165 R N 1.083 121.722 120.500 0.232 0.000 2.091 165 R HA -0.213 4.139 4.340 0.018 0.000 0.238 165 R C 2.112 178.530 176.300 0.197 0.000 1.136 165 R CA 1.902 58.136 56.100 0.222 0.000 0.959 165 R CB -0.076 30.302 30.300 0.130 0.000 0.856 165 R HN 0.057 nan 8.270 nan 0.000 0.437 166 E N 0.125 120.406 120.200 0.134 0.000 2.153 166 E HA -0.117 4.244 4.350 0.018 0.000 0.194 166 E C 1.536 178.184 176.600 0.080 0.000 0.988 166 E CA 1.551 58.007 56.400 0.094 0.000 0.811 166 E CB -0.104 29.638 29.700 0.070 0.000 0.746 166 E HN 0.454 nan 8.360 nan 0.000 0.466 167 A N -0.569 122.294 122.820 0.073 0.000 1.872 167 A HA -0.108 4.223 4.320 0.018 0.000 0.214 167 A C 1.958 179.523 177.584 -0.032 0.000 1.187 167 A CA 1.241 53.277 52.037 -0.003 0.000 0.614 167 A CB -0.981 17.983 19.000 -0.058 0.000 0.826 167 A HN 0.417 nan 8.150 nan 0.000 0.442 168 Y N 0.187 120.530 120.300 0.072 0.000 2.483 168 Y HA -0.092 4.468 4.550 0.018 0.000 0.291 168 Y C 2.680 178.609 175.900 0.048 0.000 1.143 168 Y CA 0.608 58.754 58.100 0.076 0.000 1.289 168 Y CB -0.215 38.327 38.460 0.136 0.000 0.983 168 Y HN 0.373 nan 8.280 nan 0.000 0.556 169 A N 0.547 123.468 122.820 0.169 0.000 1.929 169 A HA 0.140 4.471 4.320 0.018 0.000 0.216 169 A C 1.676 179.294 177.584 0.057 0.000 1.176 169 A CA 0.613 52.713 52.037 0.104 0.000 0.628 169 A CB -1.027 18.024 19.000 0.085 0.000 0.816 169 A HN 0.254 nan 8.150 nan 0.000 0.444 170 A N 0.484 123.322 122.820 0.031 0.000 2.520 170 A HA 0.204 4.536 4.320 0.018 0.000 0.235 170 A C 0.819 178.389 177.584 -0.024 0.000 1.065 170 A CA 0.303 52.342 52.037 0.003 0.000 0.764 170 A CB 0.104 19.101 19.000 -0.005 0.000 1.002 170 A HN 0.454 nan 8.150 nan 0.000 0.502 171 D N 0.487 120.870 120.400 -0.028 0.000 2.149 171 D HA -0.136 4.515 4.640 0.018 0.000 0.194 171 D C 0.385 176.613 176.300 -0.120 0.000 1.001 171 D CA 1.747 55.712 54.000 -0.057 0.000 0.849 171 D CB -0.118 40.646 40.800 -0.060 0.000 0.939 171 D HN 0.560 nan 8.370 nan 0.000 0.449 172 I N -0.033 120.445 120.570 -0.155 0.000 2.498 172 I HA 0.182 4.363 4.170 0.018 0.000 0.290 172 I C -0.533 175.492 176.117 -0.153 0.000 1.032 172 I CA -0.276 60.882 61.300 -0.237 0.000 1.073 172 I CB 2.516 40.275 38.000 -0.402 0.000 1.251 172 I HN -0.340 nan 8.210 nan 0.000 0.426 173 T N 4.366 118.763 114.554 -0.262 0.000 2.886 173 T HA 0.523 4.884 4.350 0.018 0.000 0.292 173 T C -1.130 173.449 174.700 -0.201 0.000 1.012 173 T CA -0.601 61.378 62.100 -0.202 0.000 0.982 173 T CB 1.081 69.721 68.868 -0.380 0.000 1.018 173 T HN 0.132 nan 8.240 nan 0.000 0.451 174 Y N 1.468 121.701 120.300 -0.112 0.000 2.387 174 Y HA 0.682 5.243 4.550 0.018 0.000 0.336 174 Y C 0.658 176.538 175.900 -0.032 0.000 1.067 174 Y CA -0.328 57.741 58.100 -0.052 0.000 1.114 174 Y CB 2.048 40.487 38.460 -0.035 0.000 1.208 174 Y HN 0.700 nan 8.280 nan 0.000 0.458 175 S N 0.920 116.701 115.700 0.135 0.000 2.567 175 S HA 0.436 4.917 4.470 0.018 0.000 0.270 175 S C -0.909 173.767 174.600 0.127 0.000 1.152 175 S CA -0.736 57.542 58.200 0.129 0.000 0.835 175 S CB 0.877 64.161 63.200 0.140 0.000 1.115 175 S HN 0.765 nan 8.310 nan 0.000 0.459 176 T N 2.142 116.771 114.554 0.124 0.000 2.884 176 T HA 0.247 4.608 4.350 0.018 0.000 0.298 176 T C 1.742 176.523 174.700 0.136 0.000 0.998 176 T CA 0.135 62.297 62.100 0.105 0.000 1.124 176 T CB 0.410 69.338 68.868 0.101 0.000 0.931 176 T HN 0.785 nan 8.240 nan 0.000 0.531 177 N N 4.617 123.390 118.700 0.121 0.000 2.112 177 N HA -0.336 4.415 4.740 0.018 0.000 0.200 177 N C 1.250 176.853 175.510 0.155 0.000 1.011 177 N CA 2.240 55.399 53.050 0.182 0.000 0.891 177 N CB -1.107 37.362 38.487 -0.030 0.000 1.060 177 N HN 0.748 nan 8.380 nan 0.000 0.478 178 N N 0.988 119.749 118.700 0.101 0.000 2.043 178 N HA -0.126 4.625 4.740 0.018 0.000 0.193 178 N C 1.487 176.893 175.510 -0.174 0.000 1.037 178 N CA 1.297 54.305 53.050 -0.070 0.000 0.851 178 N CB -0.211 38.287 38.487 0.019 0.000 1.027 178 N HN 0.353 nan 8.380 nan 0.000 0.422 179 E N 1.484 121.778 120.200 0.157 0.000 2.070 179 E HA -0.136 4.225 4.350 0.018 0.000 0.197 179 E C 2.346 179.069 176.600 0.204 0.000 1.004 179 E CA 0.522 57.096 56.400 0.290 0.000 0.805 179 E CB -0.591 29.275 29.700 0.277 0.000 0.744 179 E HN 0.377 nan 8.360 nan 0.000 0.451 180 L N 0.091 121.409 121.223 0.158 0.000 2.013 180 L HA -0.214 4.137 4.340 0.018 0.000 0.212 180 L C 2.483 179.158 176.870 -0.324 0.000 1.073 180 L CA 1.630 56.555 54.840 0.142 0.000 0.753 180 L CB -0.847 41.390 42.059 0.298 0.000 0.890 180 L HN 0.229 nan 8.230 nan 0.000 0.432 181 G N -0.611 107.817 108.800 -0.621 0.000 2.453 181 G HA2 -0.258 3.713 3.960 0.018 0.000 0.215 181 G HA3 -0.258 3.713 3.960 0.018 0.000 0.215 181 G C 1.419 176.131 174.900 -0.312 0.000 1.201 181 G CA 0.746 45.349 45.100 -0.829 0.000 0.784 181 G HN 0.248 nan 8.290 nan 0.000 0.545 182 F N 1.352 121.262 119.950 -0.068 0.000 2.043 182 F HA -0.156 4.382 4.527 0.018 0.000 0.297 182 F C 2.744 178.567 175.800 0.039 0.000 1.121 182 F CA 1.150 59.154 58.000 0.008 0.000 1.199 182 F CB -0.214 38.810 39.000 0.039 0.000 0.968 182 F HN 0.064 nan 8.300 nan 0.000 0.478 183 D N -0.633 119.936 120.400 0.282 0.000 2.133 183 D HA -0.247 4.404 4.640 0.018 0.000 0.195 183 D C 1.770 178.138 176.300 0.113 0.000 0.997 183 D CA 1.414 55.531 54.000 0.195 0.000 0.840 183 D CB -0.877 40.081 40.800 0.263 0.000 0.947 183 D HN 0.338 nan 8.370 nan 0.000 0.452 184 Y N 1.499 121.808 120.300 0.016 0.000 2.053 184 Y HA -0.241 4.320 4.550 0.018 0.000 0.277 184 Y C 2.272 178.198 175.900 0.043 0.000 1.159 184 Y CA 1.595 59.711 58.100 0.028 0.000 1.125 184 Y CB -0.573 37.941 38.460 0.091 0.000 0.969 184 Y HN -0.075 nan 8.280 nan 0.000 0.492 185 L N -0.183 121.103 121.223 0.105 0.000 2.046 185 L HA -0.245 4.106 4.340 0.018 0.000 0.208 185 L C 2.705 179.547 176.870 -0.047 0.000 1.077 185 L CA 1.697 56.564 54.840 0.045 0.000 0.747 185 L CB -0.585 41.597 42.059 0.204 0.000 0.896 185 L HN 0.177 nan 8.230 nan 0.000 0.432 186 R N -0.072 120.436 120.500 0.013 0.000 2.096 186 R HA -0.167 4.184 4.340 0.018 0.000 0.235 186 R C 1.885 178.147 176.300 -0.064 0.000 1.127 186 R CA 1.533 57.627 56.100 -0.009 0.000 0.968 186 R CB -0.333 29.985 30.300 0.031 0.000 0.861 186 R HN 0.313 nan 8.270 nan 0.000 0.440 187 D N 0.310 120.652 120.400 -0.096 0.000 2.190 187 D HA -0.124 4.527 4.640 0.018 0.000 0.200 187 D C 0.505 176.739 176.300 -0.109 0.000 0.992 187 D CA 1.103 55.040 54.000 -0.106 0.000 0.854 187 D CB -0.179 40.532 40.800 -0.149 0.000 0.936 187 D HN 0.229 nan 8.370 nan 0.000 0.462 188 N N -0.165 118.373 118.700 -0.270 0.000 2.455 188 N HA 0.168 4.919 4.740 0.018 0.000 0.258 188 N C 0.201 175.519 175.510 -0.321 0.000 1.158 188 N CA 0.073 52.884 53.050 -0.398 0.000 0.893 188 N CB 0.604 38.404 38.487 -1.145 0.000 1.173 188 N HN 0.195 nan 8.380 nan 0.000 0.503 189 M N 0.086 119.564 119.600 -0.203 0.000 3.056 189 M HA 0.163 4.654 4.480 0.018 0.000 0.457 189 M C -0.602 175.604 176.300 -0.158 0.000 1.407 189 M CA 0.006 55.225 55.300 -0.135 0.000 0.797 189 M CB 1.559 34.128 32.600 -0.052 0.000 1.522 189 M HN -0.213 nan 8.290 nan 0.000 0.531 190 V N 1.114 120.902 119.914 -0.211 0.000 2.785 190 V HA 0.243 4.375 4.120 0.018 0.000 0.300 190 V C 1.051 176.989 176.094 -0.259 0.000 1.062 190 V CA -0.047 62.152 62.300 -0.168 0.000 1.029 190 V CB 1.848 33.620 31.823 -0.085 0.000 1.024 190 V HN 0.464 nan 8.190 nan 0.000 0.477 191 L N 2.680 123.733 121.223 -0.284 0.000 2.470 191 L HA 0.271 4.622 4.340 0.018 0.000 0.219 191 L C -0.455 175.962 176.870 -0.755 0.000 1.071 191 L CA 0.510 55.022 54.840 -0.547 0.000 0.850 191 L CB 0.103 41.757 42.059 -0.675 0.000 1.040 191 L HN 0.555 nan 8.230 nan 0.000 0.475 192 Y N -1.181 119.097 120.300 -0.037 0.000 2.406 192 Y HA 0.294 4.855 4.550 0.019 0.000 0.340 192 Y C 0.872 176.779 175.900 0.011 0.000 0.975 192 Y CA -1.135 56.959 58.100 -0.011 0.000 1.056 192 Y CB 1.218 39.675 38.460 -0.004 0.000 1.210 192 Y HN -0.220 nan 8.280 nan 0.000 0.448 193 K N 1.366 121.866 120.400 0.167 0.000 2.281 193 K HA -0.243 4.089 4.320 0.018 0.000 0.203 193 K C 1.494 178.164 176.600 0.118 0.000 1.046 193 K CA 2.049 58.425 56.287 0.149 0.000 0.938 193 K CB 0.096 32.681 32.500 0.142 0.000 0.737 193 K HN 0.878 nan 8.250 nan 0.000 0.458 194 E N 1.377 121.647 120.200 0.118 0.000 2.058 194 E HA -0.256 4.105 4.350 0.018 0.000 0.194 194 E C 1.838 178.485 176.600 0.077 0.000 0.997 194 E CA 1.268 57.717 56.400 0.081 0.000 0.801 194 E CB -0.368 29.370 29.700 0.064 0.000 0.746 194 E HN 0.253 nan 8.360 nan 0.000 0.450 195 Q N 0.338 120.197 119.800 0.098 0.000 2.173 195 Q HA -0.151 4.200 4.340 0.018 0.000 0.208 195 Q C 0.528 176.561 176.000 0.055 0.000 0.989 195 Q CA 1.071 56.923 55.803 0.081 0.000 0.872 195 Q CB -0.503 28.290 28.738 0.093 0.000 0.909 195 Q HN 0.453 nan 8.270 nan 0.000 0.420 196 M N 0.889 120.518 119.600 0.048 0.000 2.243 196 M HA -0.119 4.372 4.480 0.018 0.000 0.365 196 M C 1.282 177.582 176.300 0.000 0.000 1.327 196 M CA 0.089 55.397 55.300 0.013 0.000 0.918 196 M CB 0.434 33.041 32.600 0.012 0.000 1.894 196 M HN 0.112 nan 8.290 nan 0.000 0.473 197 V N 0.290 120.183 119.914 -0.035 0.000 3.125 197 V HA 0.077 4.208 4.120 0.018 0.000 0.249 197 V C 0.827 176.787 176.094 -0.223 0.000 1.113 197 V CA 0.453 62.739 62.300 -0.025 0.000 1.106 197 V CB -0.268 31.603 31.823 0.081 0.000 0.768 197 V HN 0.821 nan 8.190 nan 0.000 0.468 198 Q N 1.262 120.822 119.800 -0.399 0.000 2.299 198 Q HA 0.457 4.808 4.340 0.018 0.000 0.246 198 Q C -0.405 175.481 176.000 -0.190 0.000 0.935 198 Q CA -0.346 55.110 55.803 -0.578 0.000 0.887 198 Q CB 1.525 30.001 28.738 -0.436 0.000 1.223 198 Q HN 0.500 nan 8.270 nan 0.000 0.439 199 R N 1.368 121.835 120.500 -0.055 0.000 2.607 199 R HA 0.403 4.755 4.340 0.018 0.000 0.261 199 R C -2.226 174.089 176.300 0.025 0.000 1.051 199 R CA -1.959 54.162 56.100 0.035 0.000 1.110 199 R CB -0.079 30.297 30.300 0.128 0.000 1.158 199 R HN 0.429 nan 8.270 nan 0.000 0.543 200 P HA -0.111 nan 4.420 nan 0.000 0.263 200 P C -0.766 176.547 177.300 0.022 0.000 1.162 200 P CA 0.695 63.794 63.100 -0.002 0.000 0.758 200 P CB 0.321 32.025 31.700 0.008 0.000 0.773 201 L N 3.397 124.546 121.223 -0.123 0.000 2.385 201 L HA 0.102 4.453 4.340 0.018 0.000 0.285 201 L C 1.665 178.563 176.870 0.045 0.000 1.125 201 L CA -0.221 54.438 54.840 -0.302 0.000 0.890 201 L CB -0.127 41.294 42.059 -1.063 0.000 1.251 201 L HN 0.567 nan 8.230 nan 0.000 0.445 202 H N 4.415 123.610 119.070 0.208 0.000 2.320 202 H HA 0.159 4.726 4.556 0.019 0.000 0.312 202 H C -0.444 175.150 175.328 0.443 0.000 1.051 202 H CA 0.903 57.109 56.048 0.263 0.000 1.339 202 H CB 0.265 30.175 29.762 0.247 0.000 1.437 202 H HN 0.396 nan 8.280 nan 0.000 0.538 203 F N 0.233 120.252 119.950 0.114 0.000 2.532 203 F HA 0.615 5.153 4.527 0.018 0.000 0.321 203 F C -1.255 174.518 175.800 -0.044 0.000 1.089 203 F CA -0.781 57.147 58.000 -0.121 0.000 0.926 203 F CB 1.562 40.354 39.000 -0.347 0.000 1.168 203 F HN 0.384 nan 8.300 nan 0.000 0.459 204 A N 4.711 127.528 122.820 -0.005 0.000 2.374 204 A HA 0.675 5.006 4.320 0.018 0.000 0.305 204 A C -1.900 175.358 177.584 -0.543 0.000 1.053 204 A CA -0.553 51.154 52.037 -0.551 0.000 0.726 204 A CB 1.797 20.132 19.000 -1.109 0.000 1.229 204 A HN 0.505 nan 8.150 nan 0.000 0.431 205 V N 4.054 123.598 119.914 -0.618 0.000 2.284 205 V HA 0.252 4.383 4.120 0.018 0.000 0.274 205 V C -0.742 175.121 176.094 -0.386 0.000 1.023 205 V CA -0.205 61.790 62.300 -0.508 0.000 0.808 205 V CB 0.485 31.970 31.823 -0.564 0.000 1.035 205 V HN 0.700 nan 8.190 nan 0.000 0.445 206 I N 4.019 124.345 120.570 -0.406 0.000 2.471 206 I HA 0.284 4.465 4.170 0.018 0.000 0.286 206 I C 0.320 176.268 176.117 -0.281 0.000 1.079 206 I CA 0.183 61.252 61.300 -0.385 0.000 1.398 206 I CB 0.598 38.277 38.000 -0.535 0.000 1.403 206 I HN 0.582 nan 8.210 nan 0.000 0.530 207 D N 5.705 125.981 120.400 -0.208 0.000 2.175 207 D HA 0.247 4.898 4.640 0.018 0.000 0.248 207 D C -0.009 176.207 176.300 -0.141 0.000 1.047 207 D CA -0.119 53.791 54.000 -0.151 0.000 0.883 207 D CB 0.892 41.633 40.800 -0.098 0.000 1.180 207 D HN 0.484 nan 8.370 nan 0.000 0.438 208 E N 1.610 121.738 120.200 -0.119 0.000 2.416 208 E HA -0.172 4.189 4.350 0.018 0.000 0.249 208 E C 1.132 177.655 176.600 -0.128 0.000 1.124 208 E CA 0.496 56.837 56.400 -0.098 0.000 0.732 208 E CB -1.797 27.859 29.700 -0.073 0.000 1.286 208 E HN 0.410 nan 8.360 nan 0.000 0.394 209 V N 0.944 120.751 119.914 -0.178 0.000 2.453 209 V HA -0.338 3.793 4.120 0.018 0.000 0.252 209 V C 2.086 178.129 176.094 -0.085 0.000 1.068 209 V CA 2.834 64.996 62.300 -0.231 0.000 1.070 209 V CB -0.079 31.523 31.823 -0.369 0.000 0.664 209 V HN 0.423 nan 8.190 nan 0.000 0.461 210 D N -0.545 119.871 120.400 0.027 0.000 2.084 210 D HA -0.164 4.487 4.640 0.018 0.000 0.194 210 D C 2.198 178.522 176.300 0.041 0.000 0.990 210 D CA 1.719 55.803 54.000 0.139 0.000 0.826 210 D CB -0.839 40.047 40.800 0.142 0.000 0.971 210 D HN 0.514 nan 8.370 nan 0.000 0.453 211 S N 1.076 116.769 115.700 -0.011 0.000 2.359 211 S HA -0.142 4.339 4.470 0.018 0.000 0.222 211 S C 2.303 176.858 174.600 -0.075 0.000 1.038 211 S CA 0.887 59.067 58.200 -0.033 0.000 1.051 211 S CB -0.459 62.714 63.200 -0.044 0.000 0.944 211 S HN 0.271 nan 8.310 nan 0.000 0.433 212 I N 1.081 121.565 120.570 -0.144 0.000 2.076 212 I HA -0.200 3.981 4.170 0.018 0.000 0.237 212 I C 2.153 178.141 176.117 -0.214 0.000 1.059 212 I CA 1.470 62.608 61.300 -0.269 0.000 1.317 212 I CB -0.316 37.478 38.000 -0.343 0.000 1.037 212 I HN 0.215 nan 8.210 nan 0.000 0.398 213 L N -0.124 121.020 121.223 -0.132 0.000 2.341 213 L HA -0.065 4.286 4.340 0.018 0.000 0.214 213 L C 2.131 179.073 176.870 0.119 0.000 1.115 213 L CA 0.430 55.269 54.840 -0.002 0.000 0.820 213 L CB 0.011 42.003 42.059 -0.111 0.000 0.944 213 L HN 0.287 nan 8.230 nan 0.000 0.452 214 I N -1.047 119.574 120.570 0.086 0.000 3.172 214 I HA -0.034 4.148 4.170 0.018 0.000 0.278 214 I C 1.529 177.676 176.117 0.051 0.000 1.174 214 I CA 0.859 62.197 61.300 0.063 0.000 1.445 214 I CB -0.476 37.538 38.000 0.022 0.000 1.175 214 I HN 0.183 nan 8.210 nan 0.000 0.447 215 D N 0.828 121.252 120.400 0.040 0.000 2.323 215 D HA -0.021 4.630 4.640 0.018 0.000 0.218 215 D C 1.631 177.963 176.300 0.054 0.000 0.973 215 D CA 0.679 54.702 54.000 0.038 0.000 0.890 215 D CB 0.187 41.002 40.800 0.024 0.000 1.011 215 D HN 0.327 nan 8.370 nan 0.000 0.499 216 E N 0.912 121.140 120.200 0.047 0.000 2.489 216 E HA 0.134 4.496 4.350 0.018 0.000 0.193 216 E C 1.756 178.508 176.600 0.254 0.000 1.057 216 E CA -0.064 56.395 56.400 0.099 0.000 0.866 216 E CB 0.450 30.134 29.700 -0.026 0.000 0.916 216 E HN 0.105 nan 8.360 nan 0.000 0.500 217 A N 1.650 124.596 122.820 0.210 0.000 1.940 217 A HA -0.214 4.117 4.320 0.018 0.000 0.219 217 A C 2.060 179.744 177.584 0.167 0.000 1.176 217 A CA 1.241 53.436 52.037 0.265 0.000 0.631 217 A CB -0.290 18.817 19.000 0.178 0.000 0.814 217 A HN 0.082 nan 8.150 nan 0.000 0.446 218 R N -0.715 119.844 120.500 0.098 0.000 2.316 218 R HA 0.047 4.398 4.340 0.018 0.000 0.202 218 R C 0.731 177.049 176.300 0.029 0.000 1.029 218 R CA 0.858 56.978 56.100 0.033 0.000 1.018 218 R CB -0.483 29.827 30.300 0.016 0.000 0.888 218 R HN 0.368 nan 8.270 nan 0.000 0.471 219 T N 1.397 115.998 114.554 0.079 0.000 2.875 219 T HA 0.378 4.739 4.350 0.018 0.000 0.284 219 T C -2.498 172.206 174.700 0.006 0.000 0.995 219 T CA -2.855 59.277 62.100 0.054 0.000 1.060 219 T CB 1.095 70.022 68.868 0.098 0.000 0.967 219 T HN -0.149 nan 8.240 nan 0.000 0.476 220 P HA 0.394 nan 4.420 nan 0.000 0.277 220 P C -0.994 176.201 177.300 -0.174 0.000 1.271 220 P CA -0.653 62.377 63.100 -0.116 0.000 0.795 220 P CB 0.486 32.147 31.700 -0.065 0.000 1.101 221 L N 1.017 122.069 121.223 -0.285 0.000 2.264 221 L HA 0.358 4.709 4.340 0.018 0.000 0.289 221 L C -0.110 176.730 176.870 -0.051 0.000 1.044 221 L CA 0.116 54.810 54.840 -0.243 0.000 0.807 221 L CB 0.279 42.048 42.059 -0.484 0.000 1.192 221 L HN 0.213 nan 8.230 nan 0.000 0.425 222 I N 4.399 125.011 120.570 0.069 0.000 2.603 222 I HA 0.448 4.629 4.170 0.018 0.000 0.300 222 I C -0.553 175.669 176.117 0.176 0.000 1.017 222 I CA -0.306 61.048 61.300 0.090 0.000 1.098 222 I CB 1.877 39.908 38.000 0.052 0.000 1.279 222 I HN 0.274 nan 8.210 nan 0.000 0.437 223 I N 4.252 124.884 120.570 0.104 0.000 2.406 223 I HA 0.544 4.725 4.170 0.018 0.000 0.290 223 I C -0.556 175.566 176.117 0.009 0.000 0.999 223 I CA -0.203 61.132 61.300 0.058 0.000 1.124 223 I CB 1.557 39.586 38.000 0.049 0.000 1.289 223 I HN 0.688 nan 8.210 nan 0.000 0.441 224 S N 3.383 119.077 115.700 -0.010 0.000 2.550 224 S HA 0.946 5.427 4.470 0.018 0.000 0.270 224 S C -0.502 174.088 174.600 -0.016 0.000 1.145 224 S CA -0.892 57.301 58.200 -0.011 0.000 0.852 224 S CB 2.596 65.795 63.200 -0.002 0.000 1.119 224 S HN 1.133 nan 8.310 nan 0.000 0.465 225 G N 0.611 109.405 108.800 -0.011 0.000 2.146 225 G HA2 0.423 4.394 3.960 0.018 0.000 0.261 225 G HA3 0.423 4.394 3.960 0.018 0.000 0.261 225 G C -1.708 173.192 174.900 0.000 0.000 1.745 225 G CA -0.725 44.370 45.100 -0.008 0.000 0.905 225 G HN 0.882 nan 8.290 nan 0.000 0.746 226 Q N 0.819 120.625 119.800 0.010 0.000 2.309 226 Q HA 0.831 5.182 4.340 0.018 0.000 0.264 226 Q C -0.093 175.924 176.000 0.028 0.000 1.008 226 Q CA -0.018 55.800 55.803 0.025 0.000 0.853 226 Q CB 2.083 30.842 28.738 0.034 0.000 1.314 226 Q HN 1.722 nan 8.270 nan 0.000 0.448 227 A N 2.973 125.813 122.820 0.034 0.000 3.045 227 A HA 0.616 4.948 4.320 0.018 0.000 0.244 227 A C 0.267 177.875 177.584 0.039 0.000 0.917 227 A CA 0.100 52.153 52.037 0.028 0.000 1.075 227 A CB -0.092 18.915 19.000 0.012 0.000 1.202 227 A HN 0.848 nan 8.150 nan 0.000 0.486 228 A N 0.616 123.480 122.820 0.074 0.000 2.265 228 A HA 0.288 4.619 4.320 0.018 0.000 0.213 228 A C 1.134 178.761 177.584 0.072 0.000 1.255 228 A CA 0.388 52.489 52.037 0.108 0.000 0.862 228 A CB -0.642 18.492 19.000 0.223 0.000 0.852 228 A HN 0.518 nan 8.150 nan 0.000 0.484 229 K N 0.047 120.463 120.400 0.027 0.000 3.078 229 K HA -0.213 4.118 4.320 0.018 0.000 0.261 229 K C 0.990 177.558 176.600 -0.054 0.000 0.947 229 K CA 0.506 56.795 56.287 0.004 0.000 0.702 229 K CB -1.678 30.829 32.500 0.011 0.000 1.318 229 K HN 0.655 nan 8.250 nan 0.000 0.473 230 S N -0.055 115.598 115.700 -0.079 0.000 2.500 230 S HA -0.163 4.318 4.470 0.018 0.000 0.210 230 S C 1.870 176.303 174.600 -0.278 0.000 1.101 230 S CA 1.753 59.801 58.200 -0.253 0.000 1.272 230 S CB -0.394 62.840 63.200 0.057 0.000 1.071 230 S HN 0.502 nan 8.310 nan 0.000 0.397 231 T N 2.920 117.497 114.554 0.038 0.000 2.592 231 T HA -0.222 4.139 4.350 0.018 0.000 0.267 231 T C 1.874 176.626 174.700 0.088 0.000 1.060 231 T CA 2.115 64.307 62.100 0.152 0.000 1.167 231 T CB -0.633 68.299 68.868 0.108 0.000 0.863 231 T HN 0.275 nan 8.240 nan 0.000 0.431 232 K N 0.982 121.401 120.400 0.033 0.000 2.044 232 K HA -0.038 4.293 4.320 0.018 0.000 0.210 232 K C 2.045 178.673 176.600 0.047 0.000 1.049 232 K CA 0.872 57.184 56.287 0.042 0.000 0.927 232 K CB -0.906 31.615 32.500 0.036 0.000 0.713 232 K HN 0.146 nan 8.250 nan 0.000 0.443 233 L N -0.058 121.150 121.223 -0.024 0.000 2.201 233 L HA -0.088 4.263 4.340 0.018 0.000 0.212 233 L C 1.704 178.595 176.870 0.034 0.000 1.105 233 L CA 1.564 56.411 54.840 0.011 0.000 0.775 233 L CB -0.463 41.570 42.059 -0.043 0.000 0.913 233 L HN 0.273 nan 8.230 nan 0.000 0.440 234 Y N -1.765 118.567 120.300 0.053 0.000 2.293 234 Y HA -0.197 4.364 4.550 0.019 0.000 0.291 234 Y C 2.359 178.305 175.900 0.077 0.000 1.137 234 Y CA 0.937 59.051 58.100 0.024 0.000 1.202 234 Y CB -0.224 38.231 38.460 -0.008 0.000 0.990 234 Y HN 0.035 nan 8.280 nan 0.000 0.537 235 V N 0.030 120.078 119.914 0.223 0.000 2.343 235 V HA -0.316 3.815 4.120 0.018 0.000 0.247 235 V C 1.906 178.087 176.094 0.145 0.000 1.051 235 V CA 1.906 64.297 62.300 0.152 0.000 1.036 235 V CB -0.777 31.107 31.823 0.101 0.000 0.654 235 V HN 0.442 nan 8.190 nan 0.000 0.451 236 Q N 0.106 120.009 119.800 0.172 0.000 2.172 236 Q HA -0.032 4.319 4.340 0.018 0.000 0.200 236 Q C 2.441 178.637 176.000 0.327 0.000 0.964 236 Q CA 1.396 57.312 55.803 0.187 0.000 0.855 236 Q CB -0.383 28.515 28.738 0.267 0.000 0.918 236 Q HN 0.669 nan 8.270 nan 0.000 0.444 237 A N 1.497 124.550 122.820 0.389 0.000 1.972 237 A HA -0.172 4.159 4.320 0.018 0.000 0.219 237 A C 1.772 179.605 177.584 0.415 0.000 1.169 237 A CA 1.192 53.499 52.037 0.451 0.000 0.635 237 A CB -0.425 18.785 19.000 0.351 0.000 0.810 237 A HN 0.303 nan 8.150 nan 0.000 0.446 238 N N -0.135 118.734 118.700 0.283 0.000 2.461 238 N HA 0.111 4.862 4.740 0.018 0.000 0.188 238 N C 1.428 177.002 175.510 0.106 0.000 1.134 238 N CA 0.633 53.825 53.050 0.236 0.000 0.878 238 N CB 0.013 38.633 38.487 0.223 0.000 0.972 238 N HN 0.436 nan 8.380 nan 0.000 0.456 239 A N -0.226 122.604 122.820 0.016 0.000 2.172 239 A HA -0.020 4.311 4.320 0.018 0.000 0.216 239 A C 0.943 178.341 177.584 -0.310 0.000 1.154 239 A CA 0.523 52.440 52.037 -0.199 0.000 0.701 239 A CB -0.516 18.271 19.000 -0.355 0.000 0.789 239 A HN 0.245 nan 8.150 nan 0.000 0.465 240 F N -0.500 119.432 119.950 -0.030 0.000 2.696 240 F HA 0.107 4.645 4.527 0.018 0.000 0.296 240 F C 1.609 177.308 175.800 -0.167 0.000 1.181 240 F CA -0.167 57.791 58.000 -0.070 0.000 1.411 240 F CB -0.073 38.907 39.000 -0.032 0.000 1.014 240 F HN -0.004 nan 8.300 nan 0.000 0.512 241 V N -0.358 119.505 119.914 -0.086 0.000 2.332 241 V HA -0.216 3.915 4.120 0.018 0.000 0.248 241 V C 1.573 177.622 176.094 -0.076 0.000 1.055 241 V CA 1.508 63.713 62.300 -0.158 0.000 1.038 241 V CB -0.561 31.214 31.823 -0.080 0.000 0.651 241 V HN 0.233 nan 8.190 nan 0.000 0.450 242 R N -0.588 119.888 120.500 -0.040 0.000 2.549 242 R HA 0.406 4.757 4.340 0.018 0.000 0.267 242 R C 0.653 176.964 176.300 0.018 0.000 1.045 242 R CA 0.151 56.240 56.100 -0.019 0.000 1.115 242 R CB 0.466 30.749 30.300 -0.028 0.000 1.121 242 R HN 0.234 nan 8.270 nan 0.000 0.543 243 T N 1.748 116.308 114.554 0.011 0.000 3.720 243 T HA -0.117 4.244 4.350 0.018 0.000 0.381 243 T C 0.152 174.872 174.700 0.034 0.000 0.763 243 T CA 0.577 62.690 62.100 0.021 0.000 1.957 243 T CB -1.190 67.696 68.868 0.030 0.000 1.767 243 T HN 0.403 nan 8.240 nan 0.000 0.743 244 L N -0.957 120.275 121.223 0.015 0.000 2.727 244 L HA 0.531 4.882 4.340 0.018 0.000 0.237 244 L C 1.041 177.904 176.870 -0.011 0.000 1.370 244 L CA -0.106 54.736 54.840 0.002 0.000 1.248 244 L CB -0.543 41.505 42.059 -0.019 0.000 1.556 244 L HN 0.319 nan 8.230 nan 0.000 0.420 245 K N 1.303 121.701 120.400 -0.004 0.000 2.218 245 K HA 0.267 4.598 4.320 0.018 0.000 0.214 245 K C 1.855 178.448 176.600 -0.011 0.000 1.033 245 K CA 0.794 57.075 56.287 -0.010 0.000 0.949 245 K CB -0.022 32.475 32.500 -0.005 0.000 0.993 245 K HN 0.380 nan 8.250 nan 0.000 0.464 246 A N 1.753 124.571 122.820 -0.003 0.000 2.015 246 A HA -0.132 4.199 4.320 0.018 0.000 0.219 246 A C 1.758 179.333 177.584 -0.015 0.000 1.163 246 A CA 1.796 53.831 52.037 -0.004 0.000 0.646 246 A CB -0.317 18.686 19.000 0.005 0.000 0.806 246 A HN 0.699 nan 8.150 nan 0.000 0.448 247 E N -0.521 119.663 120.200 -0.026 0.000 2.539 247 E HA 0.061 4.422 4.350 0.018 0.000 0.215 247 E C 0.334 176.905 176.600 -0.049 0.000 0.965 247 E CA -0.192 56.177 56.400 -0.052 0.000 1.019 247 E CB -0.353 29.287 29.700 -0.100 0.000 1.059 247 E HN 0.364 nan 8.360 nan 0.000 0.496 248 K N 3.288 123.666 120.400 -0.036 0.000 2.062 248 K HA -0.017 4.314 4.320 0.018 0.000 0.251 248 K C -0.500 176.081 176.600 -0.033 0.000 1.113 248 K CA 0.114 56.379 56.287 -0.036 0.000 1.096 248 K CB -0.131 32.345 32.500 -0.039 0.000 1.099 248 K HN 0.196 nan 8.250 nan 0.000 0.350 249 D N 1.481 121.872 120.400 -0.014 0.000 2.352 249 D HA -0.156 4.495 4.640 0.018 0.000 0.238 249 D C 0.160 176.488 176.300 0.047 0.000 1.286 249 D CA 0.122 54.138 54.000 0.027 0.000 0.923 249 D CB 0.238 41.056 40.800 0.030 0.000 1.146 249 D HN 0.266 nan 8.370 nan 0.000 0.471 250 Y N -0.871 119.431 120.300 0.004 0.000 2.385 250 Y HA 0.137 4.698 4.550 0.018 0.000 0.346 250 Y C 1.618 177.543 175.900 0.043 0.000 1.270 250 Y CA 0.400 58.510 58.100 0.016 0.000 1.472 250 Y CB 0.781 39.250 38.460 0.015 0.000 1.354 250 Y HN 0.524 nan 8.280 nan 0.000 0.611 251 T N 2.302 116.952 114.554 0.159 0.000 2.732 251 T HA 0.390 4.751 4.350 0.018 0.000 0.287 251 T C -0.981 173.857 174.700 0.230 0.000 0.993 251 T CA 0.161 62.305 62.100 0.073 0.000 0.966 251 T CB 0.286 69.110 68.868 -0.075 0.000 1.047 251 T HN 0.589 nan 8.240 nan 0.000 0.527 252 Y N -1.345 119.022 120.300 0.112 0.000 2.974 252 Y HA 0.774 5.335 4.550 0.018 0.000 0.310 252 Y C -1.312 174.639 175.900 0.084 0.000 1.551 252 Y CA -1.362 56.795 58.100 0.094 0.000 1.084 252 Y CB 0.450 38.949 38.460 0.065 0.000 1.446 252 Y HN 0.440 nan 8.280 nan 0.000 0.472 253 D N 0.259 120.947 120.400 0.481 0.000 2.477 253 D HA 0.600 5.251 4.640 0.018 0.000 0.234 253 D C 0.367 176.857 176.300 0.316 0.000 1.048 253 D CA -0.064 54.122 54.000 0.310 0.000 0.959 253 D CB 2.363 43.275 40.800 0.186 0.000 1.408 253 D HN 0.845 nan 8.370 nan 0.000 0.496 254 I N -0.796 119.905 120.570 0.218 0.000 5.126 254 I HA -0.460 3.721 4.170 0.018 0.000 0.045 254 I C 1.696 177.935 176.117 0.204 0.000 0.754 254 I CA 0.987 62.391 61.300 0.173 0.000 0.464 254 I CB -0.598 37.481 38.000 0.132 0.000 0.845 254 I HN 0.425 nan 8.210 nan 0.000 0.160 255 K N -0.205 120.283 120.400 0.146 0.000 2.097 255 K HA 0.039 4.370 4.320 0.018 0.000 0.205 255 K C 0.504 177.147 176.600 0.072 0.000 1.050 255 K CA 1.888 58.247 56.287 0.120 0.000 0.938 255 K CB -0.078 32.462 32.500 0.066 0.000 0.718 255 K HN 0.589 nan 8.250 nan 0.000 0.442 256 T N -0.338 114.144 114.554 -0.120 0.000 3.230 256 T HA 0.236 4.597 4.350 0.018 0.000 0.390 256 T C -2.327 171.940 174.700 -0.722 0.000 1.761 256 T CA -0.907 60.836 62.100 -0.595 0.000 1.129 256 T CB 1.010 69.702 68.868 -0.292 0.000 1.583 256 T HN 0.136 nan 8.240 nan 0.000 0.480 257 K N 2.824 122.484 120.400 -1.234 0.000 2.487 257 K HA 0.587 4.918 4.320 0.018 0.000 0.307 257 K C -0.484 175.937 176.600 -0.299 0.000 1.160 257 K CA 0.094 56.068 56.287 -0.521 0.000 1.087 257 K CB 0.220 32.578 32.500 -0.237 0.000 1.390 257 K HN 0.638 nan 8.250 nan 0.000 0.453 258 A N 3.203 125.938 122.820 -0.143 0.000 2.312 258 A HA 0.178 4.509 4.320 0.018 0.000 0.215 258 A C 1.392 178.962 177.584 -0.022 0.000 1.256 258 A CA 0.574 52.620 52.037 0.016 0.000 0.966 258 A CB 0.234 19.255 19.000 0.035 0.000 1.053 258 A HN 0.405 nan 8.150 nan 0.000 0.510 259 V N 1.945 121.816 119.914 -0.072 0.000 2.314 259 V HA -0.395 3.736 4.120 0.018 0.000 0.256 259 V C 1.713 177.762 176.094 -0.075 0.000 1.090 259 V CA 2.491 64.743 62.300 -0.079 0.000 1.105 259 V CB -1.055 30.712 31.823 -0.093 0.000 0.785 259 V HN 0.918 nan 8.190 nan 0.000 0.464 260 Q N 0.186 119.947 119.800 -0.066 0.000 2.414 260 Q HA 0.264 4.615 4.340 0.018 0.000 0.288 260 Q C -0.813 175.160 176.000 -0.045 0.000 1.086 260 Q CA 0.300 56.066 55.803 -0.061 0.000 0.943 260 Q CB 1.161 29.876 28.738 -0.038 0.000 1.282 260 Q HN 0.477 nan 8.270 nan 0.000 0.438 261 L N 1.491 122.681 121.223 -0.055 0.000 2.588 261 L HA 0.277 4.628 4.340 0.018 0.000 0.263 261 L C -0.927 175.915 176.870 -0.047 0.000 0.935 261 L CA -0.044 54.761 54.840 -0.058 0.000 0.891 261 L CB 2.521 44.524 42.059 -0.094 0.000 1.318 261 L HN 0.834 nan 8.230 nan 0.000 0.409 262 T N 2.016 116.552 114.554 -0.030 0.000 2.930 262 T HA 0.107 4.468 4.350 0.018 0.000 0.306 262 T C 1.207 175.889 174.700 -0.029 0.000 1.045 262 T CA -0.257 61.832 62.100 -0.019 0.000 1.134 262 T CB 0.756 69.622 68.868 -0.004 0.000 0.961 262 T HN 0.684 nan 8.240 nan 0.000 0.545 263 E N 1.105 121.291 120.200 -0.024 0.000 2.187 263 E HA -0.256 4.105 4.350 0.018 0.000 0.199 263 E C 1.859 178.449 176.600 -0.018 0.000 1.004 263 E CA 1.076 57.461 56.400 -0.025 0.000 0.813 263 E CB -0.012 29.677 29.700 -0.017 0.000 0.736 263 E HN 0.559 nan 8.360 nan 0.000 0.468 264 E N 0.310 120.503 120.200 -0.011 0.000 2.150 264 E HA -0.096 4.265 4.350 0.018 0.000 0.193 264 E C 1.956 178.559 176.600 0.004 0.000 0.985 264 E CA 1.285 57.685 56.400 -0.000 0.000 0.814 264 E CB -0.530 29.172 29.700 0.004 0.000 0.752 264 E HN 0.294 nan 8.360 nan 0.000 0.466 265 G N 0.391 109.183 108.800 -0.014 0.000 2.454 265 G HA2 -0.232 3.739 3.960 0.018 0.000 0.214 265 G HA3 -0.232 3.739 3.960 0.018 0.000 0.214 265 G C 1.621 176.501 174.900 -0.032 0.000 1.217 265 G CA 1.094 46.177 45.100 -0.029 0.000 0.799 265 G HN 0.198 nan 8.290 nan 0.000 0.538 266 M N 0.480 120.045 119.600 -0.058 0.000 2.226 266 M HA -0.190 4.301 4.480 0.018 0.000 0.257 266 M C 2.757 179.053 176.300 -0.007 0.000 1.070 266 M CA 2.449 57.716 55.300 -0.054 0.000 1.087 266 M CB -1.475 31.084 32.600 -0.068 0.000 1.278 266 M HN 0.235 nan 8.290 nan 0.000 0.426 267 T N 0.546 115.099 114.554 -0.002 0.000 2.597 267 T HA -0.209 4.152 4.350 0.018 0.000 0.267 267 T C 1.819 176.549 174.700 0.050 0.000 1.053 267 T CA 1.832 63.941 62.100 0.015 0.000 1.165 267 T CB -0.348 68.525 68.868 0.009 0.000 0.863 267 T HN 0.392 nan 8.240 nan 0.000 0.427 268 K N 0.847 121.285 120.400 0.063 0.000 2.155 268 K HA 0.197 4.528 4.320 0.018 0.000 0.203 268 K C 2.705 179.408 176.600 0.171 0.000 1.052 268 K CA 0.804 57.147 56.287 0.093 0.000 0.948 268 K CB -0.234 32.316 32.500 0.082 0.000 0.728 268 K HN 0.296 nan 8.250 nan 0.000 0.448 269 A N 1.723 124.678 122.820 0.226 0.000 1.902 269 A HA -0.186 4.145 4.320 0.018 0.000 0.217 269 A C 1.926 179.758 177.584 0.413 0.000 1.181 269 A CA 1.443 53.737 52.037 0.428 0.000 0.623 269 A CB -0.226 18.863 19.000 0.148 0.000 0.818 269 A HN 0.140 nan 8.150 nan 0.000 0.443 270 E N -0.250 120.088 120.200 0.231 0.000 2.106 270 E HA -0.135 4.226 4.350 0.018 0.000 0.192 270 E C 1.928 178.639 176.600 0.184 0.000 0.984 270 E CA 0.935 57.456 56.400 0.202 0.000 0.806 270 E CB -0.247 29.494 29.700 0.069 0.000 0.750 270 E HN 0.640 nan 8.360 nan 0.000 0.458 271 K N 0.445 120.919 120.400 0.124 0.000 2.211 271 K HA -0.016 4.315 4.320 0.018 0.000 0.203 271 K C 1.821 178.456 176.600 0.058 0.000 1.050 271 K CA 0.845 57.179 56.287 0.079 0.000 0.945 271 K CB 0.044 32.573 32.500 0.048 0.000 0.732 271 K HN 0.001 nan 8.250 nan 0.000 0.451 272 A N -0.279 122.577 122.820 0.061 0.000 2.168 272 A HA -0.030 4.301 4.320 0.018 0.000 0.215 272 A C 1.361 178.799 177.584 -0.245 0.000 1.152 272 A CA 0.896 52.877 52.037 -0.095 0.000 0.716 272 A CB -0.187 18.734 19.000 -0.131 0.000 0.794 272 A HN 0.269 nan 8.150 nan 0.000 0.465 273 F N -1.815 118.175 119.950 0.067 0.000 2.522 273 F HA 0.438 4.976 4.527 0.018 0.000 0.275 273 F C 1.523 177.352 175.800 0.049 0.000 0.890 273 F CA 0.823 58.861 58.000 0.064 0.000 1.157 273 F CB 0.529 39.581 39.000 0.087 0.000 1.117 273 F HN 0.256 nan 8.300 nan 0.000 0.787 274 G N 1.662 110.609 108.800 0.245 0.000 2.511 274 G HA2 0.110 4.081 3.960 0.018 0.000 0.230 274 G HA3 0.110 4.081 3.960 0.018 0.000 0.230 274 G C -0.682 174.288 174.900 0.116 0.000 1.264 274 G CA -0.268 44.916 45.100 0.139 0.000 0.866 274 G HN 0.213 nan 8.290 nan 0.000 0.523 275 I N -1.371 119.253 120.570 0.091 0.000 3.299 275 I HA 0.293 4.474 4.170 0.018 0.000 0.322 275 I C -0.832 175.283 176.117 -0.004 0.000 1.338 275 I CA -1.066 60.266 61.300 0.053 0.000 0.905 275 I CB 1.421 39.485 38.000 0.106 0.000 1.277 275 I HN 0.101 nan 8.210 nan 0.000 0.482 276 D N 0.898 121.268 120.400 -0.051 0.000 2.506 276 D HA 0.254 4.905 4.640 0.018 0.000 0.272 276 D C -0.722 175.497 176.300 -0.135 0.000 1.214 276 D CA -0.324 53.633 54.000 -0.073 0.000 1.067 276 D CB 0.301 41.060 40.800 -0.069 0.000 1.117 276 D HN 0.256 nan 8.370 nan 0.000 0.578 277 N N 1.065 119.701 118.700 -0.107 0.000 2.434 277 N HA 0.040 4.791 4.740 0.018 0.000 0.268 277 N C -0.328 175.071 175.510 -0.186 0.000 1.256 277 N CA 0.084 53.051 53.050 -0.137 0.000 0.914 277 N CB 0.064 38.490 38.487 -0.102 0.000 1.088 277 N HN 0.275 nan 8.380 nan 0.000 0.478 278 L N 2.062 123.087 121.223 -0.330 0.000 2.540 278 L HA 0.020 4.371 4.340 0.018 0.000 0.276 278 L C 1.410 178.279 176.870 -0.002 0.000 1.212 278 L CA 0.041 54.629 54.840 -0.420 0.000 0.893 278 L CB -0.114 41.610 42.059 -0.558 0.000 1.138 278 L HN 0.551 nan 8.230 nan 0.000 0.491 279 F N 1.331 121.299 119.950 0.030 0.000 2.514 279 F HA 0.198 4.736 4.527 0.018 0.000 0.281 279 F C 0.616 176.506 175.800 0.149 0.000 1.060 279 F CA 0.226 58.246 58.000 0.033 0.000 1.397 279 F CB 0.800 39.803 39.000 0.005 0.000 1.129 279 F HN 0.577 nan 8.300 nan 0.000 0.620 280 D N 0.608 121.265 120.400 0.427 0.000 3.899 280 D HA 0.017 4.668 4.640 0.018 0.000 0.168 280 D C -1.192 175.201 176.300 0.155 0.000 1.210 280 D CA 0.111 54.234 54.000 0.205 0.000 1.557 280 D CB -0.439 40.382 40.800 0.035 0.000 1.004 280 D HN 0.023 nan 8.370 nan 0.000 0.866 281 V N 2.535 122.508 119.914 0.099 0.000 2.776 281 V HA 0.240 4.371 4.120 0.018 0.000 0.332 281 V C 1.109 176.901 176.094 -0.504 0.000 1.201 281 V CA -0.216 61.937 62.300 -0.245 0.000 1.401 281 V CB -0.030 31.535 31.823 -0.431 0.000 1.552 281 V HN 0.384 nan 8.190 nan 0.000 0.605 282 K N 0.221 120.516 120.400 -0.174 0.000 3.016 282 K HA -0.261 4.070 4.320 0.018 0.000 0.262 282 K C 0.887 177.446 176.600 -0.069 0.000 1.043 282 K CA 0.666 56.883 56.287 -0.117 0.000 0.761 282 K CB -0.844 31.584 32.500 -0.120 0.000 1.230 282 K HN 0.582 nan 8.250 nan 0.000 0.485 283 H N -0.662 118.428 119.070 0.035 0.000 2.399 283 H HA 0.068 4.635 4.556 0.018 0.000 0.300 283 H C 2.208 177.564 175.328 0.047 0.000 1.048 283 H CA 0.946 57.020 56.048 0.043 0.000 1.370 283 H CB -0.101 29.720 29.762 0.099 0.000 1.428 283 H HN 0.046 nan 8.280 nan 0.000 0.534 284 V N 1.615 121.657 119.914 0.214 0.000 2.313 284 V HA -0.412 3.719 4.120 0.018 0.000 0.261 284 V C 2.663 178.752 176.094 -0.009 0.000 1.096 284 V CA 2.132 64.489 62.300 0.095 0.000 1.090 284 V CB -1.055 30.700 31.823 -0.113 0.000 0.683 284 V HN 0.566 nan 8.190 nan 0.000 0.452 285 A N -0.844 121.923 122.820 -0.089 0.000 1.884 285 A HA -0.255 4.076 4.320 0.018 0.000 0.219 285 A C 2.127 179.522 177.584 -0.316 0.000 1.197 285 A CA 2.517 54.397 52.037 -0.261 0.000 0.637 285 A CB -0.593 18.293 19.000 -0.191 0.000 0.827 285 A HN 0.568 nan 8.150 nan 0.000 0.450 286 L N -0.941 120.194 121.223 -0.148 0.000 2.056 286 L HA -0.166 4.185 4.340 0.018 0.000 0.207 286 L C 2.521 179.336 176.870 -0.092 0.000 1.078 286 L CA 1.448 56.186 54.840 -0.171 0.000 0.749 286 L CB -0.709 41.206 42.059 -0.241 0.000 0.901 286 L HN 0.518 nan 8.230 nan 0.000 0.433 287 N N -0.667 118.028 118.700 -0.008 0.000 2.120 287 N HA -0.247 4.504 4.740 0.018 0.000 0.188 287 N C 1.916 177.472 175.510 0.077 0.000 1.024 287 N CA 1.301 54.380 53.050 0.048 0.000 0.852 287 N CB 0.010 38.599 38.487 0.170 0.000 1.003 287 N HN 0.372 nan 8.380 nan 0.000 0.424 288 H N -0.306 118.762 119.070 -0.005 0.000 2.395 288 H HA -0.006 4.561 4.556 0.018 0.000 0.299 288 H C 1.766 177.146 175.328 0.087 0.000 1.070 288 H CA 1.725 57.772 56.048 -0.001 0.000 1.356 288 H CB 0.066 29.779 29.762 -0.080 0.000 1.401 288 H HN 0.365 nan 8.280 nan 0.000 0.524 289 H N -0.924 118.225 119.070 0.132 0.000 2.363 289 H HA -0.044 4.523 4.556 0.019 0.000 0.301 289 H C 2.263 177.624 175.328 0.055 0.000 1.074 289 H CA 0.962 57.084 56.048 0.122 0.000 1.354 289 H CB 0.274 30.111 29.762 0.125 0.000 1.397 289 H HN 0.299 nan 8.280 nan 0.000 0.516 290 I N 0.885 121.531 120.570 0.127 0.000 2.226 290 I HA -0.287 3.894 4.170 0.018 0.000 0.245 290 I C 2.258 178.361 176.117 -0.024 0.000 1.100 290 I CA 0.763 62.082 61.300 0.031 0.000 1.374 290 I CB -0.175 37.784 38.000 -0.068 0.000 1.057 290 I HN 0.320 nan 8.210 nan 0.000 0.413 291 N N 0.412 119.079 118.700 -0.055 0.000 2.043 291 N HA -0.207 4.544 4.740 0.018 0.000 0.193 291 N C 1.883 177.335 175.510 -0.096 0.000 1.037 291 N CA 1.342 54.335 53.050 -0.096 0.000 0.851 291 N CB -0.249 38.152 38.487 -0.143 0.000 1.027 291 N HN 0.327 nan 8.380 nan 0.000 0.422 292 Q N 0.618 120.352 119.800 -0.110 0.000 2.030 292 Q HA -0.059 4.292 4.340 0.018 0.000 0.204 292 Q C 2.075 178.055 176.000 -0.032 0.000 0.986 292 Q CA 1.544 57.289 55.803 -0.096 0.000 0.843 292 Q CB -0.741 27.965 28.738 -0.054 0.000 0.904 292 Q HN 0.404 nan 8.270 nan 0.000 0.420 293 A N 0.669 123.521 122.820 0.053 0.000 1.933 293 A HA -0.145 4.186 4.320 0.018 0.000 0.218 293 A C 2.165 179.858 177.584 0.182 0.000 1.175 293 A CA 1.287 53.403 52.037 0.131 0.000 0.628 293 A CB -0.617 18.511 19.000 0.215 0.000 0.814 293 A HN 0.325 nan 8.150 nan 0.000 0.444 294 L N -0.280 120.991 121.223 0.081 0.000 2.093 294 L HA -0.122 4.229 4.340 0.018 0.000 0.208 294 L C 2.215 179.116 176.870 0.051 0.000 1.085 294 L CA 2.093 56.962 54.840 0.048 0.000 0.755 294 L CB -0.316 41.722 42.059 -0.036 0.000 0.904 294 L HN 0.315 nan 8.230 nan 0.000 0.435 295 K N -0.451 119.949 120.400 -0.000 0.000 2.057 295 K HA -0.028 4.303 4.320 0.018 0.000 0.206 295 K C 2.096 178.648 176.600 -0.080 0.000 1.050 295 K CA 1.149 57.414 56.287 -0.035 0.000 0.935 295 K CB -0.445 32.001 32.500 -0.090 0.000 0.715 295 K HN 0.422 nan 8.250 nan 0.000 0.439 296 A N 1.617 124.372 122.820 -0.109 0.000 2.084 296 A HA -0.215 4.116 4.320 0.018 0.000 0.221 296 A C 1.732 179.142 177.584 -0.290 0.000 1.161 296 A CA 1.466 53.364 52.037 -0.232 0.000 0.653 296 A CB -0.610 18.244 19.000 -0.242 0.000 0.802 296 A HN 0.327 nan 8.150 nan 0.000 0.457 297 H N -1.669 117.343 119.070 -0.097 0.000 2.361 297 H HA 0.058 4.626 4.556 0.019 0.000 0.308 297 H C 2.152 177.423 175.328 -0.094 0.000 1.053 297 H CA 1.752 57.755 56.048 -0.076 0.000 1.377 297 H CB 0.022 29.766 29.762 -0.031 0.000 1.434 297 H HN 0.366 nan 8.280 nan 0.000 0.548 298 V N 0.772 120.710 119.914 0.041 0.000 2.398 298 V HA 0.057 4.188 4.120 0.018 0.000 0.236 298 V C 2.696 178.746 176.094 -0.074 0.000 1.054 298 V CA 1.062 63.352 62.300 -0.016 0.000 1.060 298 V CB -1.057 30.768 31.823 0.003 0.000 0.707 298 V HN 0.343 nan 8.190 nan 0.000 0.480 299 A N 0.891 123.701 122.820 -0.016 0.000 1.844 299 A HA -0.111 4.220 4.320 0.018 0.000 0.214 299 A C 1.395 178.859 177.584 -0.201 0.000 1.217 299 A CA 1.508 53.586 52.037 0.068 0.000 0.644 299 A CB -0.651 18.499 19.000 0.249 0.000 0.850 299 A HN 0.407 nan 8.150 nan 0.000 0.456 300 M N 0.949 120.344 119.600 -0.342 0.000 2.184 300 M HA 0.226 4.717 4.480 0.018 0.000 0.351 300 M C 0.312 176.078 176.300 -0.890 0.000 1.395 300 M CA 0.554 55.360 55.300 -0.824 0.000 1.117 300 M CB 0.713 33.003 32.600 -0.517 0.000 1.708 300 M HN 0.535 nan 8.290 nan 0.000 0.468 301 Q N 1.833 120.660 119.800 -1.620 0.000 2.823 301 Q HA 0.516 4.867 4.340 0.018 0.000 0.230 301 Q C -0.663 175.287 176.000 -0.083 0.000 1.026 301 Q CA -0.766 54.672 55.803 -0.608 0.000 0.940 301 Q CB 2.408 30.918 28.738 -0.380 0.000 1.382 301 Q HN 0.520 nan 8.270 nan 0.000 0.502 302 K N 0.758 121.187 120.400 0.047 0.000 2.270 302 K HA 0.141 4.472 4.320 0.018 0.000 0.255 302 K C -1.220 175.467 176.600 0.145 0.000 0.936 302 K CA -0.155 56.193 56.287 0.101 0.000 0.809 302 K CB 0.863 33.385 32.500 0.037 0.000 1.131 302 K HN 0.497 nan 8.250 nan 0.000 0.427 303 D N 1.341 121.824 120.400 0.138 0.000 2.746 303 D HA -0.130 4.521 4.640 0.018 0.000 0.236 303 D C -1.676 174.688 176.300 0.108 0.000 1.129 303 D CA 1.002 55.065 54.000 0.106 0.000 0.691 303 D CB -0.655 40.190 40.800 0.074 0.000 1.077 303 D HN 0.259 nan 8.370 nan 0.000 0.432 304 V N 0.819 120.807 119.914 0.123 0.000 3.230 304 V HA 0.110 4.241 4.120 0.018 0.000 0.243 304 V C 0.344 176.359 176.094 -0.132 0.000 1.532 304 V CA -0.262 62.061 62.300 0.039 0.000 0.923 304 V CB 1.761 33.620 31.823 0.060 0.000 1.098 304 V HN 0.193 nan 8.190 nan 0.000 0.491 305 D N 2.173 122.461 120.400 -0.187 0.000 2.945 305 D HA -0.227 4.424 4.640 0.018 0.000 0.225 305 D C -0.099 175.803 176.300 -0.663 0.000 1.158 305 D CA 2.436 56.192 54.000 -0.408 0.000 0.805 305 D CB -0.933 39.542 40.800 -0.542 0.000 1.098 305 D HN 0.776 nan 8.370 nan 0.000 0.426 306 Y N -2.138 118.236 120.300 0.122 0.000 3.284 306 Y HA 0.370 4.931 4.550 0.018 0.000 0.165 306 Y C 0.945 176.958 175.900 0.189 0.000 0.881 306 Y CA 0.112 58.315 58.100 0.171 0.000 1.837 306 Y CB 0.394 38.900 38.460 0.077 0.000 1.398 306 Y HN -0.009 nan 8.280 nan 0.000 0.336 307 V N -1.209 118.874 119.914 0.281 0.000 3.114 307 V HA 0.876 5.007 4.120 0.018 0.000 0.308 307 V C -1.283 174.880 176.094 0.114 0.000 1.168 307 V CA -1.095 61.316 62.300 0.184 0.000 1.015 307 V CB 2.070 33.983 31.823 0.150 0.000 1.050 307 V HN -0.079 nan 8.190 nan 0.000 0.433 308 V N 1.401 121.365 119.914 0.083 0.000 2.888 308 V HA 0.515 4.646 4.120 0.018 0.000 0.309 308 V C -0.188 175.932 176.094 0.044 0.000 1.114 308 V CA -0.454 61.879 62.300 0.056 0.000 0.940 308 V CB 2.254 34.104 31.823 0.046 0.000 1.021 308 V HN 1.152 nan 8.190 nan 0.000 0.426 309 E N 1.970 122.190 120.200 0.033 0.000 2.869 309 E HA 0.401 4.762 4.350 0.018 0.000 0.258 309 E C 0.001 176.612 176.600 0.019 0.000 1.354 309 E CA -0.299 56.115 56.400 0.024 0.000 1.065 309 E CB 1.143 30.855 29.700 0.018 0.000 1.215 309 E HN 0.750 nan 8.360 nan 0.000 0.659 310 D N -2.442 117.966 120.400 0.015 0.000 1.948 310 D HA 0.036 4.687 4.640 0.018 0.000 0.376 310 D C 0.745 177.050 176.300 0.009 0.000 1.209 310 D CA 0.883 54.889 54.000 0.011 0.000 1.207 310 D CB 0.586 41.392 40.800 0.010 0.000 1.980 310 D HN 0.577 nan 8.370 nan 0.000 0.471 311 G N 0.476 109.281 108.800 0.009 0.000 4.476 311 G HA2 0.175 4.146 3.960 0.018 0.000 0.169 311 G HA3 0.175 4.146 3.960 0.018 0.000 0.169 311 G C 0.057 174.960 174.900 0.006 0.000 0.802 311 G CA -0.073 45.031 45.100 0.007 0.000 0.782 311 G HN 0.265 nan 8.290 nan 0.000 0.461 312 Q N -0.626 119.178 119.800 0.008 0.000 2.693 312 Q HA 0.597 4.948 4.340 0.018 0.000 0.306 312 Q C -0.553 175.458 176.000 0.019 0.000 0.969 312 Q CA -0.731 55.078 55.803 0.009 0.000 0.757 312 Q CB 2.777 31.517 28.738 0.004 0.000 1.494 312 Q HN 0.535 nan 8.270 nan 0.000 0.459 313 V N -1.009 118.922 119.914 0.028 0.000 2.546 313 V HA 0.794 4.925 4.120 0.018 0.000 0.284 313 V C -0.772 175.351 176.094 0.050 0.000 1.050 313 V CA -0.352 61.979 62.300 0.050 0.000 0.981 313 V CB 1.050 32.920 31.823 0.078 0.000 0.990 313 V HN 0.487 nan 8.190 nan 0.000 0.474 314 V N 6.532 126.477 119.914 0.052 0.000 2.443 314 V HA 0.448 4.579 4.120 0.018 0.000 0.293 314 V C 0.258 176.380 176.094 0.047 0.000 1.021 314 V CA -0.597 61.723 62.300 0.034 0.000 0.848 314 V CB 1.298 33.132 31.823 0.018 0.000 0.998 314 V HN 0.917 nan 8.190 nan 0.000 0.424 315 I N 4.812 125.396 120.570 0.022 0.000 2.815 315 I HA 0.138 4.319 4.170 0.018 0.000 0.291 315 I C 0.428 176.551 176.117 0.011 0.000 1.209 315 I CA 0.462 61.764 61.300 0.003 0.000 1.431 315 I CB 0.904 38.829 38.000 -0.126 0.000 1.351 315 I HN 0.591 nan 8.210 nan 0.000 0.585 316 V N 1.601 121.529 119.914 0.023 0.000 3.166 316 V HA 0.563 4.694 4.120 0.018 0.000 0.317 316 V C -0.645 175.459 176.094 0.017 0.000 1.136 316 V CA -0.775 61.539 62.300 0.023 0.000 1.035 316 V CB 1.966 33.809 31.823 0.032 0.000 1.110 316 V HN 0.675 nan 8.190 nan 0.000 0.450 317 D N 0.061 120.478 120.400 0.028 0.000 2.441 317 D HA 0.288 4.940 4.640 0.018 0.000 0.287 317 D C 1.188 177.524 176.300 0.060 0.000 1.198 317 D CA 0.376 54.401 54.000 0.042 0.000 0.894 317 D CB 1.149 41.982 40.800 0.054 0.000 1.070 317 D HN 0.673 nan 8.370 nan 0.000 0.499 318 S N 2.320 118.052 115.700 0.054 0.000 2.434 318 S HA -0.262 4.219 4.470 0.018 0.000 0.243 318 S C 1.508 176.191 174.600 0.139 0.000 1.045 318 S CA 1.203 59.446 58.200 0.070 0.000 1.019 318 S CB -0.303 62.925 63.200 0.046 0.000 0.811 318 S HN 0.543 nan 8.310 nan 0.000 0.485 319 F N 0.949 120.897 119.950 -0.003 0.000 2.262 319 F HA 0.185 4.724 4.527 0.019 0.000 0.292 319 F C 2.634 178.438 175.800 0.008 0.000 1.081 319 F CA 1.665 59.666 58.000 0.002 0.000 1.355 319 F CB -0.995 38.006 39.000 0.002 0.000 1.069 319 F HN 0.207 nan 8.300 nan 0.000 0.506 320 T N -1.205 113.306 114.554 -0.071 0.000 2.812 320 T HA 0.185 4.546 4.350 0.018 0.000 0.264 320 T C 1.730 176.363 174.700 -0.113 0.000 1.042 320 T CA 1.926 63.938 62.100 -0.147 0.000 1.140 320 T CB -0.699 68.152 68.868 -0.028 0.000 0.870 320 T HN 0.600 nan 8.240 nan 0.000 0.445 321 G N 1.281 110.055 108.800 -0.043 0.000 2.475 321 G HA2 -0.247 3.724 3.960 0.018 0.000 0.209 321 G HA3 -0.247 3.724 3.960 0.018 0.000 0.209 321 G C 0.333 175.232 174.900 -0.001 0.000 1.127 321 G CA 0.094 45.178 45.100 -0.025 0.000 0.681 321 G HN 0.890 nan 8.290 nan 0.000 0.517 322 R N 1.495 121.998 120.500 0.005 0.000 2.679 322 R HA 0.507 4.858 4.340 0.018 0.000 0.268 322 R C 0.153 176.471 176.300 0.030 0.000 1.044 322 R CA -0.235 55.879 56.100 0.022 0.000 1.105 322 R CB 0.210 30.535 30.300 0.041 0.000 0.989 322 R HN 0.375 nan 8.270 nan 0.000 0.447 323 L N 2.602 123.839 121.223 0.023 0.000 2.315 323 L HA 0.216 4.567 4.340 0.018 0.000 0.283 323 L C 0.271 177.147 176.870 0.011 0.000 1.089 323 L CA -0.509 54.341 54.840 0.017 0.000 0.833 323 L CB 0.667 42.731 42.059 0.009 0.000 1.170 323 L HN 0.540 nan 8.230 nan 0.000 0.442 324 M N 3.631 123.240 119.600 0.014 0.000 3.593 324 M HA 0.073 4.564 4.480 0.018 0.000 0.204 324 M C 0.245 176.527 176.300 -0.031 0.000 1.569 324 M CA 0.398 55.704 55.300 0.011 0.000 1.694 324 M CB -1.350 31.258 32.600 0.014 0.000 1.149 324 M HN 0.494 nan 8.290 nan 0.000 0.552 325 K N 0.425 120.787 120.400 -0.062 0.000 2.524 325 K HA 0.148 4.479 4.320 0.018 0.000 0.279 325 K C 1.197 177.746 176.600 -0.086 0.000 0.993 325 K CA 0.860 57.101 56.287 -0.076 0.000 1.030 325 K CB 0.185 32.629 32.500 -0.094 0.000 0.891 325 K HN 0.840 nan 8.250 nan 0.000 0.488 326 G N 2.676 111.439 108.800 -0.063 0.000 2.176 326 G HA2 -0.268 3.703 3.960 0.018 0.000 0.232 326 G HA3 -0.268 3.703 3.960 0.018 0.000 0.232 326 G C -0.088 174.785 174.900 -0.046 0.000 0.986 326 G CA -0.372 44.695 45.100 -0.054 0.000 0.643 326 G HN 0.580 nan 8.290 nan 0.000 0.522 327 R N 0.939 121.405 120.500 -0.057 0.000 2.204 327 R HA 0.383 4.734 4.340 0.018 0.000 0.341 327 R C 0.313 176.555 176.300 -0.097 0.000 1.035 327 R CA -0.718 55.329 56.100 -0.089 0.000 0.887 327 R CB 0.548 30.779 30.300 -0.116 0.000 1.114 327 R HN 0.038 nan 8.270 nan 0.000 0.473 328 R N 2.409 122.865 120.500 -0.073 0.000 2.441 328 R HA 0.106 4.457 4.340 0.018 0.000 0.284 328 R C -0.463 175.812 176.300 -0.042 0.000 1.070 328 R CA -0.324 55.768 56.100 -0.014 0.000 1.047 328 R CB 0.701 31.014 30.300 0.021 0.000 1.016 328 R HN 0.502 nan 8.270 nan 0.000 0.477 329 Y N 1.197 121.515 120.300 0.030 0.000 2.402 329 Y HA -0.074 4.487 4.550 0.018 0.000 0.333 329 Y C 1.257 177.167 175.900 0.016 0.000 1.076 329 Y CA 0.345 58.454 58.100 0.016 0.000 1.299 329 Y CB 0.799 39.265 38.460 0.010 0.000 1.197 329 Y HN 0.623 nan 8.280 nan 0.000 0.517 330 S N 2.190 118.007 115.700 0.196 0.000 2.569 330 S HA -0.030 4.451 4.470 0.018 0.000 0.274 330 S C 0.199 174.877 174.600 0.131 0.000 1.353 330 S CA -0.223 58.059 58.200 0.137 0.000 1.023 330 S CB 0.251 63.523 63.200 0.120 0.000 0.876 330 S HN 0.803 nan 8.310 nan 0.000 0.540 331 E N -0.102 120.182 120.200 0.142 0.000 2.257 331 E HA -0.146 4.215 4.350 0.018 0.000 0.224 331 E C 0.728 177.427 176.600 0.165 0.000 1.286 331 E CA 0.553 57.063 56.400 0.183 0.000 0.716 331 E CB -2.621 27.250 29.700 0.285 0.000 1.159 331 E HN 2.040 nan 8.360 nan 0.000 0.367 332 G N -0.096 108.658 108.800 -0.076 0.000 2.370 332 G HA2 -0.280 3.692 3.960 0.018 0.000 0.268 332 G HA3 -0.280 3.692 3.960 0.018 0.000 0.268 332 G C 0.101 174.664 174.900 -0.561 0.000 1.122 332 G CA -0.005 44.696 45.100 -0.665 0.000 0.963 332 G HN 0.383 nan 8.290 nan 0.000 0.500 333 L N 0.798 121.839 121.223 -0.303 0.000 2.968 333 L HA 0.232 4.583 4.340 0.018 0.000 0.235 333 L C 1.952 178.730 176.870 -0.152 0.000 1.323 333 L CA -0.243 54.462 54.840 -0.224 0.000 1.159 333 L CB -0.566 41.377 42.059 -0.194 0.000 1.523 333 L HN 0.598 nan 8.230 nan 0.000 0.468 334 H N -1.950 117.006 119.070 -0.189 0.000 2.489 334 H HA -0.132 4.436 4.556 0.019 0.000 0.293 334 H C 1.793 176.933 175.328 -0.314 0.000 1.066 334 H CA 0.352 56.239 56.048 -0.267 0.000 1.305 334 H CB 0.294 29.785 29.762 -0.451 0.000 1.386 334 H HN 0.418 nan 8.280 nan 0.000 0.551 335 Q N 1.003 120.633 119.800 -0.284 0.000 2.133 335 Q HA -0.218 4.133 4.340 0.018 0.000 0.208 335 Q C 2.714 178.622 176.000 -0.154 0.000 0.991 335 Q CA 1.385 57.063 55.803 -0.208 0.000 0.867 335 Q CB -0.361 28.291 28.738 -0.144 0.000 0.911 335 Q HN 0.606 nan 8.270 nan 0.000 0.417 336 A N 1.480 124.197 122.820 -0.172 0.000 1.845 336 A HA -0.180 4.151 4.320 0.018 0.000 0.215 336 A C 2.163 179.688 177.584 -0.099 0.000 1.195 336 A CA 1.444 53.380 52.037 -0.168 0.000 0.616 336 A CB -0.768 18.126 19.000 -0.177 0.000 0.832 336 A HN 0.334 nan 8.150 nan 0.000 0.443 337 I N -0.456 120.079 120.570 -0.058 0.000 2.151 337 I HA -0.322 3.859 4.170 0.018 0.000 0.243 337 I C 2.438 178.534 176.117 -0.035 0.000 1.080 337 I CA 2.241 63.524 61.300 -0.028 0.000 1.339 337 I CB -1.099 36.895 38.000 -0.009 0.000 1.039 337 I HN 0.476 nan 8.210 nan 0.000 0.409 338 E N 0.805 120.975 120.200 -0.050 0.000 2.024 338 E HA -0.011 4.350 4.350 0.018 0.000 0.190 338 E C 2.142 178.740 176.600 -0.003 0.000 0.974 338 E CA 1.306 57.690 56.400 -0.026 0.000 0.810 338 E CB -0.108 29.570 29.700 -0.036 0.000 0.775 338 E HN 0.504 nan 8.360 nan 0.000 0.453 339 A N 0.336 123.155 122.820 -0.001 0.000 2.074 339 A HA 0.096 4.427 4.320 0.018 0.000 0.200 339 A C 1.818 179.416 177.584 0.024 0.000 1.335 339 A CA -0.018 52.040 52.037 0.035 0.000 0.922 339 A CB 0.023 19.074 19.000 0.085 0.000 0.972 339 A HN -0.017 nan 8.150 nan 0.000 0.475 340 K N 0.709 121.076 120.400 -0.055 0.000 2.144 340 K HA -0.193 4.138 4.320 0.018 0.000 0.209 340 K C -0.326 176.241 176.600 -0.056 0.000 1.047 340 K CA 1.827 58.014 56.287 -0.168 0.000 0.927 340 K CB -0.077 32.165 32.500 -0.430 0.000 0.716 340 K HN 0.770 nan 8.250 nan 0.000 0.454 341 E N -1.472 118.703 120.200 -0.042 0.000 2.343 341 E HA 0.360 4.721 4.350 0.018 0.000 0.286 341 E C -0.803 175.793 176.600 -0.007 0.000 0.915 341 E CA -0.474 55.917 56.400 -0.016 0.000 0.784 341 E CB 1.435 31.121 29.700 -0.024 0.000 1.251 341 E HN 0.213 nan 8.360 nan 0.000 0.407 342 G N 3.009 111.811 108.800 0.005 0.000 3.350 342 G HA2 -0.237 3.734 3.960 0.018 0.000 0.646 342 G HA3 -0.237 3.734 3.960 0.018 0.000 0.646 342 G C -0.014 174.890 174.900 0.007 0.000 0.929 342 G CA -0.365 44.739 45.100 0.006 0.000 1.073 342 G HN 0.603 nan 8.290 nan 0.000 0.543 343 L N 2.698 123.928 121.223 0.012 0.000 2.858 343 L HA 0.093 4.444 4.340 0.018 0.000 0.243 343 L C 0.627 177.503 176.870 0.010 0.000 1.416 343 L CA 0.564 55.413 54.840 0.015 0.000 1.182 343 L CB -0.702 41.369 42.059 0.020 0.000 1.564 343 L HN 0.583 nan 8.230 nan 0.000 0.436 344 E N 1.864 122.066 120.200 0.003 0.000 2.148 344 E HA 0.074 4.435 4.350 0.018 0.000 0.308 344 E C 0.312 176.908 176.600 -0.007 0.000 1.278 344 E CA -0.206 56.194 56.400 -0.001 0.000 1.368 344 E CB 0.467 30.166 29.700 -0.002 0.000 1.229 344 E HN 0.444 nan 8.360 nan 0.000 0.494 345 I N 1.713 122.283 120.570 -0.000 0.000 3.004 345 I HA -0.102 4.080 4.170 0.018 0.000 0.287 345 I C 0.170 176.273 176.117 -0.023 0.000 1.144 345 I CA 0.276 61.574 61.300 -0.002 0.000 1.353 345 I CB 0.431 38.447 38.000 0.027 0.000 1.417 345 I HN 0.264 nan 8.210 nan 0.000 0.602 346 Q N 5.382 125.153 119.800 -0.049 0.000 3.068 346 Q HA 0.400 4.751 4.340 0.018 0.000 0.209 346 Q C -1.262 174.652 176.000 -0.144 0.000 0.802 346 Q CA -0.756 54.991 55.803 -0.092 0.000 0.848 346 Q CB 0.580 29.246 28.738 -0.120 0.000 1.459 346 Q HN 0.532 nan 8.270 nan 0.000 0.455 347 N N 1.882 120.543 118.700 -0.064 0.000 2.905 347 N HA 0.113 4.864 4.740 0.018 0.000 0.255 347 N C -1.077 174.434 175.510 0.000 0.000 1.199 347 N CA 0.074 53.104 53.050 -0.033 0.000 0.911 347 N CB 1.637 40.173 38.487 0.081 0.000 1.550 347 N HN 0.730 nan 8.380 nan 0.000 0.599 348 E N 0.782 120.975 120.200 -0.011 0.000 3.952 348 E HA 0.178 4.539 4.350 0.018 0.000 0.223 348 E C 0.017 176.618 176.600 0.002 0.000 1.295 348 E CA -0.278 56.122 56.400 -0.000 0.000 1.670 348 E CB -0.103 29.593 29.700 -0.007 0.000 1.588 348 E HN 0.446 nan 8.360 nan 0.000 0.664 349 S N 0.583 116.279 115.700 -0.007 0.000 2.664 349 S HA 0.730 5.211 4.470 0.018 0.000 0.304 349 S C -0.387 174.209 174.600 -0.008 0.000 1.099 349 S CA -0.757 57.440 58.200 -0.005 0.000 1.003 349 S CB 1.509 64.706 63.200 -0.005 0.000 1.092 349 S HN 0.189 nan 8.310 nan 0.000 0.525 350 M N 2.050 121.647 119.600 -0.005 0.000 2.277 350 M HA 0.273 4.764 4.480 0.018 0.000 0.282 350 M C -1.387 174.904 176.300 -0.014 0.000 1.074 350 M CA -0.174 55.123 55.300 -0.005 0.000 0.954 350 M CB 2.402 35.008 32.600 0.011 0.000 1.672 350 M HN 0.871 nan 8.290 nan 0.000 0.471 351 T N 5.552 120.091 114.554 -0.025 0.000 2.779 351 T HA 0.355 4.716 4.350 0.018 0.000 0.296 351 T C 1.129 175.786 174.700 -0.073 0.000 0.938 351 T CA -0.070 62.006 62.100 -0.039 0.000 1.119 351 T CB 0.219 69.061 68.868 -0.043 0.000 0.891 351 T HN 0.593 nan 8.240 nan 0.000 0.526 352 L N 1.885 123.067 121.223 -0.069 0.000 2.575 352 L HA 0.558 4.909 4.340 0.018 0.000 0.228 352 L C 1.003 177.790 176.870 -0.137 0.000 1.075 352 L CA -0.193 54.586 54.840 -0.102 0.000 0.867 352 L CB 0.130 42.161 42.059 -0.047 0.000 1.097 352 L HN 0.600 nan 8.230 nan 0.000 0.485 353 A N -0.454 122.327 122.820 -0.066 0.000 2.574 353 A HA 0.686 5.017 4.320 0.018 0.000 0.297 353 A C -0.887 176.704 177.584 0.012 0.000 1.062 353 A CA -0.286 51.741 52.037 -0.017 0.000 0.686 353 A CB 1.868 20.919 19.000 0.086 0.000 1.285 353 A HN -0.109 nan 8.150 nan 0.000 0.403 354 T N 0.909 115.476 114.554 0.023 0.000 2.933 354 T HA 0.719 5.080 4.350 0.018 0.000 0.305 354 T C -1.325 173.395 174.700 0.032 0.000 1.092 354 T CA -0.292 61.812 62.100 0.007 0.000 1.008 354 T CB 0.701 69.559 68.868 -0.017 0.000 1.102 354 T HN 1.294 nan 8.240 nan 0.000 0.469 355 I N 2.974 123.518 120.570 -0.042 0.000 2.908 355 I HA 0.546 4.727 4.170 0.018 0.000 0.300 355 I C -0.392 175.616 176.117 -0.181 0.000 1.385 355 I CA -0.679 60.584 61.300 -0.062 0.000 1.004 355 I CB 2.507 40.489 38.000 -0.031 0.000 1.309 355 I HN 0.876 nan 8.210 nan 0.000 0.449 356 T N 1.489 115.978 114.554 -0.108 0.000 2.922 356 T HA 0.396 4.757 4.350 0.018 0.000 0.285 356 T C 0.728 175.386 174.700 -0.070 0.000 1.005 356 T CA -0.318 61.714 62.100 -0.113 0.000 1.061 356 T CB 0.903 69.785 68.868 0.023 0.000 1.007 356 T HN 0.408 nan 8.240 nan 0.000 0.502 357 F N 0.587 120.630 119.950 0.155 0.000 2.293 357 F HA -0.036 4.502 4.527 0.017 0.000 0.300 357 F C 2.666 178.727 175.800 0.434 0.000 1.086 357 F CA 0.626 58.804 58.000 0.297 0.000 1.375 357 F CB -0.421 38.793 39.000 0.356 0.000 1.045 357 F HN 0.539 nan 8.300 nan 0.000 0.516 358 Q N 0.084 120.197 119.800 0.522 0.000 2.083 358 Q HA -0.127 4.224 4.340 0.018 0.000 0.198 358 Q C 1.846 178.068 176.000 0.370 0.000 0.969 358 Q CA 1.223 57.357 55.803 0.551 0.000 0.838 358 Q CB -0.314 28.614 28.738 0.316 0.000 0.900 358 Q HN 0.253 nan 8.270 nan 0.000 0.436 359 N N -0.372 118.459 118.700 0.218 0.000 2.135 359 N HA -0.156 4.595 4.740 0.018 0.000 0.186 359 N C 1.522 177.087 175.510 0.091 0.000 1.027 359 N CA 1.074 54.200 53.050 0.125 0.000 0.849 359 N CB -0.475 38.054 38.487 0.071 0.000 1.002 359 N HN 0.262 nan 8.380 nan 0.000 0.425 360 Y N 1.071 121.346 120.300 -0.041 0.000 2.030 360 Y HA -0.204 4.357 4.550 0.018 0.000 0.274 360 Y C 2.071 177.932 175.900 -0.066 0.000 1.153 360 Y CA 1.689 59.660 58.100 -0.214 0.000 1.115 360 Y CB -0.966 37.294 38.460 -0.333 0.000 0.969 360 Y HN -0.032 nan 8.280 nan 0.000 0.488 361 F N 0.127 120.127 119.950 0.084 0.000 2.333 361 F HA -0.122 4.416 4.527 0.018 0.000 0.300 361 F C 2.381 178.259 175.800 0.130 0.000 1.083 361 F CA 1.166 59.216 58.000 0.083 0.000 1.395 361 F CB -0.216 38.848 39.000 0.107 0.000 1.056 361 F HN -0.013 nan 8.300 nan 0.000 0.529 362 R N -0.308 120.360 120.500 0.281 0.000 2.307 362 R HA -0.040 4.311 4.340 0.018 0.000 0.199 362 R C 1.979 178.324 176.300 0.076 0.000 1.000 362 R CA 0.472 56.697 56.100 0.209 0.000 1.023 362 R CB -0.140 30.276 30.300 0.194 0.000 0.908 362 R HN 0.365 nan 8.270 nan 0.000 0.473 363 M N -0.342 119.221 119.600 -0.061 0.000 2.175 363 M HA -0.112 4.380 4.480 0.018 0.000 0.264 363 M C 0.237 176.446 176.300 -0.153 0.000 1.063 363 M CA 1.216 56.404 55.300 -0.187 0.000 1.119 363 M CB -0.352 31.980 32.600 -0.446 0.000 1.377 363 M HN -0.050 nan 8.290 nan 0.000 0.415 364 Y N 1.417 121.636 120.300 -0.134 0.000 2.578 364 Y HA -0.065 4.496 4.550 0.018 0.000 0.339 364 Y C 1.680 177.574 175.900 -0.010 0.000 1.231 364 Y CA 0.195 58.263 58.100 -0.055 0.000 1.461 364 Y CB 0.250 38.708 38.460 -0.005 0.000 1.323 364 Y HN 0.076 nan 8.280 nan 0.000 0.590 365 E N 1.262 121.558 120.200 0.159 0.000 2.418 365 E HA -0.070 4.291 4.350 0.018 0.000 0.197 365 E C -0.025 176.568 176.600 -0.012 0.000 1.026 365 E CA 0.854 57.297 56.400 0.071 0.000 0.862 365 E CB 0.226 29.987 29.700 0.102 0.000 0.799 365 E HN 0.467 nan 8.360 nan 0.000 0.518 366 K N 0.088 120.483 120.400 -0.009 0.000 2.570 366 K HA 0.276 4.607 4.320 0.018 0.000 0.256 366 K C -1.888 174.748 176.600 0.061 0.000 0.939 366 K CA -0.559 55.633 56.287 -0.158 0.000 0.833 366 K CB 1.149 33.261 32.500 -0.647 0.000 1.318 366 K HN -0.149 nan 8.250 nan 0.000 0.433 367 L N 2.492 123.744 121.223 0.049 0.000 2.385 367 L HA 0.767 5.118 4.340 0.018 0.000 0.273 367 L C -0.910 176.001 176.870 0.070 0.000 0.990 367 L CA -0.233 54.642 54.840 0.058 0.000 0.821 367 L CB 1.872 43.909 42.059 -0.038 0.000 1.279 367 L HN 0.806 nan 8.230 nan 0.000 0.412 368 A N 1.736 124.610 122.820 0.090 0.000 2.469 368 A HA 1.004 5.335 4.320 0.018 0.000 0.299 368 A C -0.541 176.935 177.584 -0.179 0.000 1.098 368 A CA -0.083 51.953 52.037 -0.001 0.000 0.737 368 A CB 1.848 20.945 19.000 0.160 0.000 1.312 368 A HN 0.770 nan 8.150 nan 0.000 0.414 369 G N -0.266 108.409 108.800 -0.209 0.000 2.690 369 G HA2 0.620 4.591 3.960 0.018 0.000 0.293 369 G HA3 0.620 4.591 3.960 0.018 0.000 0.293 369 G C -1.273 173.491 174.900 -0.227 0.000 1.399 369 G CA -0.618 44.312 45.100 -0.283 0.000 0.890 369 G HN 0.645 nan 8.290 nan 0.000 0.485 370 M N 0.815 120.289 119.600 -0.211 0.000 2.446 370 M HA 0.714 5.205 4.480 0.018 0.000 0.294 370 M C -0.417 175.802 176.300 -0.134 0.000 1.158 370 M CA -0.623 54.587 55.300 -0.150 0.000 0.899 370 M CB 2.945 35.478 32.600 -0.113 0.000 1.687 370 M HN 0.744 nan 8.290 nan 0.000 0.455 371 T N 0.037 114.532 114.554 -0.098 0.000 2.774 371 T HA 0.416 4.777 4.350 0.018 0.000 0.325 371 T C 0.358 175.040 174.700 -0.031 0.000 1.753 371 T CA 0.034 62.097 62.100 -0.060 0.000 1.024 371 T CB 0.972 69.808 68.868 -0.054 0.000 1.628 371 T HN 0.805 nan 8.240 nan 0.000 0.497 372 G N 0.769 109.563 108.800 -0.010 0.000 2.430 372 G HA2 0.232 4.203 3.960 0.018 0.000 0.216 372 G HA3 0.232 4.203 3.960 0.018 0.000 0.216 372 G C 0.622 175.535 174.900 0.022 0.000 1.146 372 G CA 1.068 46.171 45.100 0.005 0.000 0.793 372 G HN 1.286 nan 8.290 nan 0.000 0.537 373 T N -2.790 111.783 114.554 0.032 0.000 2.977 373 T HA 0.686 5.047 4.350 0.018 0.000 0.346 373 T C -0.185 174.573 174.700 0.097 0.000 1.140 373 T CA -0.074 62.059 62.100 0.056 0.000 1.040 373 T CB 1.586 70.486 68.868 0.054 0.000 1.046 373 T HN 0.576 nan 8.240 nan 0.000 0.494 374 A N 2.415 125.308 122.820 0.121 0.000 2.519 374 A HA 0.474 4.805 4.320 0.018 0.000 0.236 374 A C 1.156 178.885 177.584 0.241 0.000 0.875 374 A CA -0.445 51.746 52.037 0.256 0.000 1.172 374 A CB 0.094 19.226 19.000 0.220 0.000 1.211 374 A HN 0.558 nan 8.150 nan 0.000 0.454 375 K N 0.225 120.708 120.400 0.138 0.000 2.242 375 K HA 0.035 4.366 4.320 0.018 0.000 0.200 375 K C 1.914 178.566 176.600 0.087 0.000 1.050 375 K CA 2.080 58.432 56.287 0.108 0.000 0.981 375 K CB -0.299 32.240 32.500 0.064 0.000 0.795 375 K HN 0.473 nan 8.250 nan 0.000 0.477 376 T N -0.166 114.429 114.554 0.069 0.000 2.529 376 T HA -0.172 4.189 4.350 0.018 0.000 0.261 376 T C 1.276 175.981 174.700 0.008 0.000 1.110 376 T CA 1.463 63.583 62.100 0.032 0.000 1.192 376 T CB -0.590 68.293 68.868 0.025 0.000 0.864 376 T HN 0.089 nan 8.240 nan 0.000 0.407 377 E N 1.542 121.726 120.200 -0.026 0.000 2.301 377 E HA 0.113 4.474 4.350 0.018 0.000 0.195 377 E C 1.699 178.176 176.600 -0.204 0.000 1.171 377 E CA -0.107 56.208 56.400 -0.142 0.000 1.142 377 E CB -0.427 29.149 29.700 -0.207 0.000 1.218 377 E HN 0.724 nan 8.360 nan 0.000 0.448 378 E N 0.521 120.734 120.200 0.022 0.000 2.118 378 E HA -0.256 4.105 4.350 0.018 0.000 0.195 378 E C 0.980 177.642 176.600 0.103 0.000 0.992 378 E CA 1.223 57.717 56.400 0.157 0.000 0.804 378 E CB 0.146 29.933 29.700 0.146 0.000 0.741 378 E HN 0.226 nan 8.360 nan 0.000 0.458 379 E N 0.493 120.715 120.200 0.037 0.000 2.268 379 E HA -0.183 4.178 4.350 0.018 0.000 0.195 379 E C 1.734 178.373 176.600 0.066 0.000 0.995 379 E CA 0.894 57.322 56.400 0.047 0.000 0.836 379 E CB -0.049 29.649 29.700 -0.003 0.000 0.763 379 E HN 0.539 nan 8.360 nan 0.000 0.491 380 E N -0.212 120.003 120.200 0.024 0.000 2.102 380 E HA -0.014 4.347 4.350 0.018 0.000 0.190 380 E C 1.760 178.424 176.600 0.106 0.000 0.971 380 E CA 0.066 56.494 56.400 0.047 0.000 0.821 380 E CB -0.021 29.679 29.700 0.000 0.000 0.777 380 E HN 0.184 nan 8.360 nan 0.000 0.460 381 F N 0.377 120.448 119.950 0.203 0.000 2.202 381 F HA -0.184 4.355 4.527 0.019 0.000 0.301 381 F C 2.590 178.511 175.800 0.202 0.000 1.082 381 F CA 0.880 59.028 58.000 0.246 0.000 1.313 381 F CB 0.108 39.189 39.000 0.135 0.000 1.024 381 F HN -0.029 nan 8.300 nan 0.000 0.495 382 R N 0.476 121.161 120.500 0.309 0.000 2.254 382 R HA -0.005 4.346 4.340 0.018 0.000 0.195 382 R C 1.627 178.063 176.300 0.226 0.000 0.957 382 R CA 0.873 57.105 56.100 0.220 0.000 1.024 382 R CB -0.422 29.960 30.300 0.137 0.000 0.952 382 R HN 0.234 nan 8.270 nan 0.000 0.484 383 N N -0.271 118.538 118.700 0.181 0.000 2.432 383 N HA -0.026 4.725 4.740 0.018 0.000 0.174 383 N C 1.134 176.671 175.510 0.044 0.000 1.037 383 N CA 0.621 53.750 53.050 0.132 0.000 0.892 383 N CB 0.409 38.966 38.487 0.116 0.000 1.049 383 N HN 0.160 nan 8.380 nan 0.000 0.442 384 I N -0.024 120.520 120.570 -0.043 0.000 2.703 384 I HA -0.057 4.124 4.170 0.018 0.000 0.259 384 I C 0.671 176.564 176.117 -0.373 0.000 1.151 384 I CA 0.819 61.925 61.300 -0.323 0.000 1.470 384 I CB -0.401 37.197 38.000 -0.669 0.000 1.112 384 I HN 0.128 nan 8.210 nan 0.000 0.437 385 Y N -0.331 120.059 120.300 0.150 0.000 2.527 385 Y HA 0.209 4.770 4.550 0.018 0.000 0.247 385 Y C 0.729 176.700 175.900 0.117 0.000 1.138 385 Y CA -0.343 57.841 58.100 0.140 0.000 1.228 385 Y CB 0.212 38.774 38.460 0.171 0.000 1.252 385 Y HN 0.138 nan 8.280 nan 0.000 0.531 386 N N 0.961 119.806 118.700 0.242 0.000 2.747 386 N HA -0.210 4.541 4.740 0.018 0.000 0.249 386 N C -1.071 174.521 175.510 0.136 0.000 1.107 386 N CA 0.798 53.957 53.050 0.182 0.000 0.707 386 N CB -1.079 37.498 38.487 0.150 0.000 1.054 386 N HN 0.334 nan 8.380 nan 0.000 0.555 387 M N 0.757 120.455 119.600 0.164 0.000 2.227 387 M HA 0.276 4.767 4.480 0.018 0.000 0.335 387 M C -0.106 176.241 176.300 0.079 0.000 1.053 387 M CA -0.547 54.803 55.300 0.083 0.000 0.973 387 M CB 1.906 34.525 32.600 0.032 0.000 1.623 387 M HN 0.020 nan 8.290 nan 0.000 0.434 388 Q N 1.761 121.571 119.800 0.016 0.000 2.288 388 Q HA 0.411 4.762 4.340 0.018 0.000 0.254 388 Q C -0.657 175.353 176.000 0.017 0.000 0.932 388 Q CA -0.632 55.173 55.803 0.004 0.000 0.902 388 Q CB 1.427 30.137 28.738 -0.047 0.000 1.203 388 Q HN 0.471 nan 8.270 nan 0.000 0.415 389 V N 3.642 123.584 119.914 0.047 0.000 2.427 389 V HA 0.086 4.217 4.120 0.018 0.000 0.268 389 V C -0.072 176.039 176.094 0.028 0.000 1.046 389 V CA -0.329 61.989 62.300 0.030 0.000 0.970 389 V CB 0.942 32.822 31.823 0.096 0.000 1.001 389 V HN 0.522 nan 8.190 nan 0.000 0.476 390 V N 4.792 124.725 119.914 0.031 0.000 2.407 390 V HA 0.321 4.452 4.120 0.018 0.000 0.278 390 V C 0.479 176.599 176.094 0.044 0.000 1.037 390 V CA -0.407 61.928 62.300 0.058 0.000 0.900 390 V CB 1.639 33.552 31.823 0.149 0.000 0.983 390 V HN 0.904 nan 8.190 nan 0.000 0.459 391 T N 6.610 121.186 114.554 0.036 0.000 2.743 391 T HA 0.575 4.936 4.350 0.018 0.000 0.293 391 T C -0.084 174.636 174.700 0.034 0.000 0.945 391 T CA -0.066 62.052 62.100 0.029 0.000 1.030 391 T CB 0.489 69.370 68.868 0.022 0.000 0.912 391 T HN 0.379 nan 8.240 nan 0.000 0.483 392 I N 5.110 125.698 120.570 0.029 0.000 2.377 392 I HA 0.312 4.493 4.170 0.018 0.000 0.293 392 I C -2.122 174.004 176.117 0.014 0.000 0.987 392 I CA -2.737 58.582 61.300 0.033 0.000 1.185 392 I CB 1.640 39.657 38.000 0.028 0.000 1.341 392 I HN 0.318 nan 8.210 nan 0.000 0.455 393 P HA 0.054 nan 4.420 nan 0.000 0.267 393 P C -0.051 177.237 177.300 -0.020 0.000 1.205 393 P CA -0.170 62.928 63.100 -0.003 0.000 0.765 393 P CB 0.202 31.902 31.700 0.000 0.000 0.828 394 T N -0.509 114.027 114.554 -0.031 0.000 2.855 394 T HA -0.060 4.301 4.350 0.018 0.000 0.322 394 T C 1.317 175.963 174.700 -0.090 0.000 1.088 394 T CA -0.292 61.774 62.100 -0.056 0.000 1.104 394 T CB 0.384 69.220 68.868 -0.053 0.000 0.996 394 T HN 0.461 nan 8.240 nan 0.000 0.549 395 N N 1.365 119.972 118.700 -0.154 0.000 2.142 395 N HA -0.106 4.645 4.740 0.018 0.000 0.186 395 N C 0.233 175.622 175.510 -0.201 0.000 1.023 395 N CA 0.708 53.609 53.050 -0.249 0.000 0.852 395 N CB 0.171 38.336 38.487 -0.537 0.000 0.998 395 N HN 0.572 nan 8.380 nan 0.000 0.424 396 R N 0.777 121.180 120.500 -0.163 0.000 2.561 396 R HA 0.422 4.773 4.340 0.018 0.000 0.297 396 R C -2.595 173.662 176.300 -0.072 0.000 0.969 396 R CA -1.709 54.323 56.100 -0.113 0.000 0.879 396 R CB 1.901 32.131 30.300 -0.118 0.000 1.178 396 R HN 0.088 nan 8.270 nan 0.000 0.445 397 P HA -0.064 nan 4.420 nan 0.000 0.262 397 P C -0.453 176.830 177.300 -0.028 0.000 1.182 397 P CA -0.045 63.035 63.100 -0.034 0.000 0.761 397 P CB 0.461 32.145 31.700 -0.026 0.000 0.795 398 V N 4.456 124.358 119.914 -0.021 0.000 2.521 398 V HA 0.041 4.172 4.120 0.018 0.000 0.286 398 V C 1.239 177.327 176.094 -0.009 0.000 1.034 398 V CA 0.153 62.444 62.300 -0.014 0.000 1.045 398 V CB 0.909 32.727 31.823 -0.007 0.000 0.974 398 V HN 0.455 nan 8.190 nan 0.000 0.480 399 V N 2.277 122.186 119.914 -0.008 0.000 2.887 399 V HA 0.458 4.589 4.120 0.018 0.000 0.370 399 V C 0.441 176.535 176.094 -0.000 0.000 1.322 399 V CA -0.453 61.844 62.300 -0.005 0.000 1.267 399 V CB -0.554 31.265 31.823 -0.007 0.000 1.344 399 V HN 0.749 nan 8.190 nan 0.000 0.573 400 R N 0.439 120.941 120.500 0.003 0.000 2.549 400 R HA 0.488 4.839 4.340 0.018 0.000 0.267 400 R C -0.976 175.331 176.300 0.012 0.000 1.045 400 R CA -0.479 55.626 56.100 0.009 0.000 1.115 400 R CB 1.252 31.560 30.300 0.013 0.000 1.121 400 R HN 0.403 nan 8.270 nan 0.000 0.543 401 D N 0.900 121.309 120.400 0.014 0.000 2.458 401 D HA 0.137 4.788 4.640 0.018 0.000 0.258 401 D C -1.295 175.019 176.300 0.024 0.000 1.134 401 D CA -0.317 53.692 54.000 0.015 0.000 0.915 401 D CB 0.599 41.405 40.800 0.011 0.000 1.028 401 D HN 0.270 nan 8.370 nan 0.000 0.508 402 D N 3.340 123.760 120.400 0.033 0.000 2.359 402 D HA 0.081 4.732 4.640 0.018 0.000 0.250 402 D C 0.509 176.837 176.300 0.046 0.000 1.264 402 D CA -0.206 53.827 54.000 0.055 0.000 0.911 402 D CB 0.654 41.494 40.800 0.067 0.000 1.056 402 D HN 0.123 nan 8.370 nan 0.000 0.499 403 R N 2.646 123.171 120.500 0.043 0.000 2.582 403 R HA 0.301 4.652 4.340 0.018 0.000 0.271 403 R C -2.065 174.248 176.300 0.022 0.000 1.078 403 R CA -1.799 54.312 56.100 0.018 0.000 1.127 403 R CB -0.259 30.040 30.300 -0.001 0.000 1.038 403 R HN 0.264 nan 8.270 nan 0.000 0.500 404 P HA -0.024 nan 4.420 nan 0.000 0.268 404 P C -0.655 176.618 177.300 -0.044 0.000 1.205 404 P CA -0.096 62.988 63.100 -0.027 0.000 0.771 404 P CB 0.474 32.147 31.700 -0.045 0.000 0.858 405 D N 2.006 122.381 120.400 -0.042 0.000 2.506 405 D HA 0.025 4.676 4.640 0.018 0.000 0.234 405 D C 0.444 176.675 176.300 -0.115 0.000 1.143 405 D CA 0.639 54.607 54.000 -0.053 0.000 0.871 405 D CB 0.447 41.211 40.800 -0.059 0.000 1.190 405 D HN 0.257 nan 8.370 nan 0.000 0.459 406 L N 2.265 123.379 121.223 -0.181 0.000 2.309 406 L HA 0.469 4.820 4.340 0.018 0.000 0.282 406 L C 0.183 176.998 176.870 -0.093 0.000 1.036 406 L CA -0.740 53.980 54.840 -0.199 0.000 0.806 406 L CB 0.912 42.786 42.059 -0.309 0.000 1.220 406 L HN 0.150 nan 8.230 nan 0.000 0.429 407 I N 2.535 123.035 120.570 -0.116 0.000 2.411 407 I HA 0.334 4.515 4.170 0.018 0.000 0.284 407 I C -0.619 175.460 176.117 -0.065 0.000 1.012 407 I CA -0.354 60.938 61.300 -0.013 0.000 1.119 407 I CB 0.861 38.862 38.000 0.002 0.000 1.261 407 I HN 0.368 nan 8.210 nan 0.000 0.448 408 Y N 4.071 124.381 120.300 0.017 0.000 2.408 408 Y HA 0.415 4.975 4.550 0.017 0.000 0.324 408 Y C 1.511 177.398 175.900 -0.022 0.000 1.302 408 Y CA -0.390 57.714 58.100 0.007 0.000 1.384 408 Y CB 0.870 39.337 38.460 0.012 0.000 1.367 408 Y HN 0.426 nan 8.280 nan 0.000 0.525 409 R N -0.538 120.038 120.500 0.127 0.000 2.090 409 R HA 0.057 4.408 4.340 0.018 0.000 0.219 409 R C -0.303 176.003 176.300 0.011 0.000 1.100 409 R CA 1.286 57.395 56.100 0.015 0.000 0.991 409 R CB 0.103 30.387 30.300 -0.025 0.000 0.893 409 R HN 0.844 nan 8.270 nan 0.000 0.443 410 T N -3.114 111.455 114.554 0.024 0.000 2.906 410 T HA 0.241 4.602 4.350 0.018 0.000 0.295 410 T C 1.127 175.776 174.700 -0.085 0.000 1.075 410 T CA -0.909 61.178 62.100 -0.021 0.000 1.005 410 T CB 1.649 70.512 68.868 -0.009 0.000 1.136 410 T HN -0.216 nan 8.240 nan 0.000 0.498 411 M N 0.915 120.434 119.600 -0.135 0.000 2.270 411 M HA -0.194 4.297 4.480 0.018 0.000 0.254 411 M C 2.025 178.133 176.300 -0.321 0.000 1.072 411 M CA 2.034 57.138 55.300 -0.327 0.000 1.077 411 M CB -1.469 31.071 32.600 -0.100 0.000 1.288 411 M HN 0.760 nan 8.290 nan 0.000 0.424 412 E N -0.478 119.705 120.200 -0.028 0.000 2.058 412 E HA -0.115 4.246 4.350 0.018 0.000 0.194 412 E C 2.170 178.765 176.600 -0.009 0.000 0.997 412 E CA 1.669 58.119 56.400 0.083 0.000 0.801 412 E CB -0.819 28.925 29.700 0.073 0.000 0.746 412 E HN 0.672 nan 8.360 nan 0.000 0.450 413 G N 1.351 110.116 108.800 -0.059 0.000 2.432 413 G HA2 -0.288 3.683 3.960 0.018 0.000 0.219 413 G HA3 -0.288 3.683 3.960 0.018 0.000 0.219 413 G C 1.618 176.284 174.900 -0.389 0.000 1.135 413 G CA 0.944 45.988 45.100 -0.094 0.000 0.767 413 G HN 0.246 nan 8.290 nan 0.000 0.550 414 K N -0.386 119.746 120.400 -0.446 0.000 2.062 414 K HA 0.066 4.397 4.320 0.018 0.000 0.205 414 K C 2.140 178.433 176.600 -0.512 0.000 1.051 414 K CA 0.566 56.458 56.287 -0.658 0.000 0.941 414 K CB -0.275 31.963 32.500 -0.437 0.000 0.719 414 K HN 0.382 nan 8.250 nan 0.000 0.440 415 F N 1.369 121.170 119.950 -0.249 0.000 2.075 415 F HA -0.163 4.372 4.527 0.012 0.000 0.297 415 F C 2.414 178.073 175.800 -0.235 0.000 1.113 415 F CA 1.045 58.914 58.000 -0.217 0.000 1.218 415 F CB -0.060 38.859 39.000 -0.135 0.000 0.984 415 F HN -0.033 nan 8.300 nan 0.000 0.472 416 K N 0.357 120.755 120.400 -0.005 0.000 2.074 416 K HA -0.231 4.100 4.320 0.018 0.000 0.209 416 K C 2.184 178.704 176.600 -0.133 0.000 1.048 416 K CA 1.318 57.569 56.287 -0.060 0.000 0.926 416 K CB -0.438 32.038 32.500 -0.039 0.000 0.713 416 K HN 0.249 nan 8.250 nan 0.000 0.444 417 A N 0.560 123.216 122.820 -0.273 0.000 2.019 417 A HA -0.102 4.229 4.320 0.018 0.000 0.219 417 A C 2.253 179.639 177.584 -0.330 0.000 1.164 417 A CA 1.251 53.119 52.037 -0.281 0.000 0.644 417 A CB -0.358 18.280 19.000 -0.604 0.000 0.805 417 A HN 0.090 nan 8.150 nan 0.000 0.449 418 V N -0.356 119.297 119.914 -0.436 0.000 2.283 418 V HA -0.177 3.954 4.120 0.018 0.000 0.243 418 V C 3.044 178.998 176.094 -0.234 0.000 1.039 418 V CA 1.683 63.699 62.300 -0.473 0.000 1.016 418 V CB -1.217 30.390 31.823 -0.359 0.000 0.650 418 V HN 0.610 nan 8.190 nan 0.000 0.449 419 A N -0.215 122.513 122.820 -0.152 0.000 1.859 419 A HA -0.352 3.979 4.320 0.018 0.000 0.218 419 A C 2.133 179.675 177.584 -0.071 0.000 1.209 419 A CA 2.473 54.451 52.037 -0.098 0.000 0.639 419 A CB -0.829 18.126 19.000 -0.074 0.000 0.835 419 A HN 0.598 nan 8.150 nan 0.000 0.450 420 E N -0.984 119.181 120.200 -0.058 0.000 2.108 420 E HA -0.292 4.069 4.350 0.018 0.000 0.203 420 E C 1.844 178.444 176.600 -0.001 0.000 1.022 420 E CA 1.576 57.965 56.400 -0.018 0.000 0.823 420 E CB -0.196 29.507 29.700 0.006 0.000 0.744 420 E HN 0.636 nan 8.360 nan 0.000 0.456 421 D N -0.626 119.767 120.400 -0.012 0.000 2.144 421 D HA -0.121 4.530 4.640 0.018 0.000 0.199 421 D C 1.842 178.151 176.300 0.014 0.000 0.984 421 D CA 0.854 54.869 54.000 0.024 0.000 0.834 421 D CB 0.129 40.958 40.800 0.049 0.000 0.955 421 D HN 0.028 nan 8.370 nan 0.000 0.465 422 V N 0.967 120.870 119.914 -0.019 0.000 2.307 422 V HA -0.175 3.956 4.120 0.018 0.000 0.245 422 V C 2.687 178.811 176.094 0.050 0.000 1.045 422 V CA 1.623 63.928 62.300 0.009 0.000 1.024 422 V CB -1.169 30.641 31.823 -0.021 0.000 0.651 422 V HN 0.242 nan 8.190 nan 0.000 0.449 423 A N 0.115 122.948 122.820 0.022 0.000 1.903 423 A HA -0.335 3.996 4.320 0.018 0.000 0.219 423 A C 2.226 179.842 177.584 0.053 0.000 1.191 423 A CA 2.360 54.409 52.037 0.021 0.000 0.638 423 A CB -0.578 18.417 19.000 -0.009 0.000 0.823 423 A HN 0.684 nan 8.150 nan 0.000 0.451 424 Q N -1.225 118.606 119.800 0.050 0.000 2.167 424 Q HA -0.115 4.236 4.340 0.018 0.000 0.202 424 Q C 2.202 178.248 176.000 0.078 0.000 0.970 424 Q CA 0.971 56.809 55.803 0.058 0.000 0.855 424 Q CB -0.191 28.578 28.738 0.051 0.000 0.911 424 Q HN 0.544 nan 8.270 nan 0.000 0.438 425 R N 0.053 120.603 120.500 0.083 0.000 2.075 425 R HA -0.074 4.277 4.340 0.018 0.000 0.226 425 R C 2.007 178.371 176.300 0.106 0.000 1.114 425 R CA 0.923 57.067 56.100 0.074 0.000 0.972 425 R CB -0.742 29.588 30.300 0.050 0.000 0.869 425 R HN 0.402 nan 8.270 nan 0.000 0.437 426 Y N 1.427 121.730 120.300 0.005 0.000 2.128 426 Y HA -0.203 4.358 4.550 0.018 0.000 0.284 426 Y C 2.446 178.351 175.900 0.007 0.000 1.154 426 Y CA 1.608 59.713 58.100 0.008 0.000 1.149 426 Y CB -0.124 38.342 38.460 0.011 0.000 0.976 426 Y HN -0.100 nan 8.280 nan 0.000 0.505 427 M N -0.200 119.619 119.600 0.365 0.000 2.202 427 M HA -0.215 4.276 4.480 0.018 0.000 0.262 427 M C 1.888 178.270 176.300 0.136 0.000 1.063 427 M CA 2.262 57.696 55.300 0.223 0.000 1.097 427 M CB -0.414 32.250 32.600 0.106 0.000 1.382 427 M HN 0.425 nan 8.290 nan 0.000 0.413 428 T N -3.014 111.597 114.554 0.095 0.000 3.023 428 T HA 0.190 4.551 4.350 0.018 0.000 0.266 428 T C 1.534 176.248 174.700 0.024 0.000 1.093 428 T CA 0.790 62.920 62.100 0.050 0.000 1.129 428 T CB -0.121 68.769 68.868 0.037 0.000 0.899 428 T HN 0.618 nan 8.240 nan 0.000 0.491 429 G N 0.949 109.752 108.800 0.005 0.000 2.176 429 G HA2 -0.279 3.692 3.960 0.018 0.000 0.253 429 G HA3 -0.279 3.692 3.960 0.018 0.000 0.253 429 G C -0.082 174.770 174.900 -0.080 0.000 0.979 429 G CA 0.129 45.184 45.100 -0.076 0.000 0.641 429 G HN 0.768 nan 8.290 nan 0.000 0.530 430 Q N 1.550 121.326 119.800 -0.040 0.000 2.313 430 Q HA 0.369 4.720 4.340 0.018 0.000 0.266 430 Q C -2.054 173.917 176.000 -0.048 0.000 0.989 430 Q CA -1.502 54.281 55.803 -0.032 0.000 0.890 430 Q CB 1.077 29.811 28.738 -0.007 0.000 1.200 430 Q HN 0.303 nan 8.270 nan 0.000 0.396 431 P HA 0.058 nan 4.420 nan 0.000 0.275 431 P C -1.096 176.187 177.300 -0.028 0.000 1.227 431 P CA -0.088 62.981 63.100 -0.051 0.000 0.781 431 P CB 0.978 32.653 31.700 -0.043 0.000 0.906 432 V N 3.778 123.679 119.914 -0.023 0.000 2.604 432 V HA 0.473 4.604 4.120 0.018 0.000 0.305 432 V C -0.034 176.052 176.094 -0.014 0.000 1.043 432 V CA -0.852 61.441 62.300 -0.012 0.000 0.888 432 V CB 1.651 33.472 31.823 -0.002 0.000 0.995 432 V HN 0.410 nan 8.190 nan 0.000 0.429 433 L N 5.198 126.410 121.223 -0.018 0.000 2.356 433 L HA 0.787 5.138 4.340 0.018 0.000 0.277 433 L C -0.820 176.031 176.870 -0.032 0.000 0.996 433 L CA -0.150 54.678 54.840 -0.019 0.000 0.822 433 L CB 2.006 44.058 42.059 -0.012 0.000 1.256 433 L HN 0.474 nan 8.230 nan 0.000 0.413 434 V N 4.993 124.886 119.914 -0.034 0.000 2.326 434 V HA 0.572 4.703 4.120 0.018 0.000 0.281 434 V C 0.767 176.850 176.094 -0.020 0.000 1.015 434 V CA -0.430 61.843 62.300 -0.046 0.000 0.823 434 V CB 1.130 32.914 31.823 -0.064 0.000 1.009 434 V HN 0.928 nan 8.190 nan 0.000 0.436 435 G N 3.317 112.111 108.800 -0.010 0.000 2.361 435 G HA2 0.459 4.430 3.960 0.018 0.000 0.260 435 G HA3 0.459 4.430 3.960 0.018 0.000 0.260 435 G C -0.013 174.943 174.900 0.094 0.000 1.261 435 G CA 0.142 45.277 45.100 0.060 0.000 0.897 435 G HN 0.567 nan 8.290 nan 0.000 0.499 436 T N 1.491 116.107 114.554 0.104 0.000 2.942 436 T HA 0.324 4.685 4.350 0.018 0.000 0.289 436 T C 1.073 175.868 174.700 0.159 0.000 1.044 436 T CA -0.506 61.661 62.100 0.113 0.000 1.023 436 T CB 2.139 71.041 68.868 0.058 0.000 1.123 436 T HN 0.129 nan 8.240 nan 0.000 0.512 437 V N 0.384 120.396 119.914 0.163 0.000 3.125 437 V HA 0.464 4.596 4.120 0.018 0.000 0.249 437 V C 0.674 176.836 176.094 0.114 0.000 1.113 437 V CA 0.773 63.179 62.300 0.177 0.000 1.106 437 V CB 0.321 32.264 31.823 0.199 0.000 0.768 437 V HN 0.968 nan 8.190 nan 0.000 0.468 438 A N -0.502 122.370 122.820 0.088 0.000 2.398 438 A HA 0.558 4.889 4.320 0.018 0.000 0.301 438 A C 0.773 178.377 177.584 0.034 0.000 1.041 438 A CA 0.210 52.283 52.037 0.060 0.000 0.711 438 A CB 1.820 20.858 19.000 0.062 0.000 1.240 438 A HN 0.289 nan 8.150 nan 0.000 0.420 439 V N 0.569 120.498 119.914 0.025 0.000 2.370 439 V HA -0.282 3.849 4.120 0.018 0.000 0.252 439 V C 2.102 178.192 176.094 -0.007 0.000 1.068 439 V CA 2.564 64.869 62.300 0.008 0.000 1.061 439 V CB -1.060 30.767 31.823 0.006 0.000 0.656 439 V HN 0.947 nan 8.190 nan 0.000 0.455 440 E N 1.286 121.483 120.200 -0.005 0.000 2.204 440 E HA -0.184 4.177 4.350 0.018 0.000 0.194 440 E C 1.915 178.481 176.600 -0.057 0.000 0.989 440 E CA 2.002 58.388 56.400 -0.024 0.000 0.824 440 E CB -1.119 28.575 29.700 -0.011 0.000 0.756 440 E HN 0.662 nan 8.360 nan 0.000 0.477 441 T N 0.485 115.014 114.554 -0.041 0.000 3.035 441 T HA 0.047 4.408 4.350 0.018 0.000 0.259 441 T C 2.054 176.691 174.700 -0.105 0.000 1.078 441 T CA 0.753 62.799 62.100 -0.090 0.000 1.132 441 T CB -0.041 68.841 68.868 0.023 0.000 0.900 441 T HN 0.099 nan 8.240 nan 0.000 0.480 442 S N 1.284 116.954 115.700 -0.050 0.000 2.370 442 S HA -0.139 4.342 4.470 0.018 0.000 0.226 442 S C 2.148 176.699 174.600 -0.081 0.000 1.033 442 S CA 1.210 59.378 58.200 -0.053 0.000 1.011 442 S CB -0.238 62.950 63.200 -0.020 0.000 0.852 442 S HN 0.375 nan 8.310 nan 0.000 0.457 443 E N 1.048 121.203 120.200 -0.074 0.000 2.072 443 E HA -0.021 4.340 4.350 0.018 0.000 0.191 443 E C 1.939 178.471 176.600 -0.113 0.000 0.985 443 E CA 0.430 56.787 56.400 -0.071 0.000 0.801 443 E CB -0.377 29.292 29.700 -0.052 0.000 0.750 443 E HN 0.254 nan 8.360 nan 0.000 0.452 444 L N 0.549 121.665 121.223 -0.179 0.000 2.017 444 L HA -0.177 4.174 4.340 0.018 0.000 0.208 444 L C 1.844 178.556 176.870 -0.262 0.000 1.073 444 L CA 1.576 56.262 54.840 -0.257 0.000 0.745 444 L CB -0.627 41.177 42.059 -0.425 0.000 0.894 444 L HN 0.196 nan 8.230 nan 0.000 0.432 445 I N 0.321 120.727 120.570 -0.273 0.000 2.286 445 I HA -0.237 3.944 4.170 0.018 0.000 0.248 445 I C 2.889 178.878 176.117 -0.213 0.000 1.115 445 I CA 1.487 62.649 61.300 -0.231 0.000 1.392 445 I CB -1.552 36.333 38.000 -0.192 0.000 1.065 445 I HN 0.378 nan 8.210 nan 0.000 0.418 446 S N 1.262 116.846 115.700 -0.194 0.000 2.348 446 S HA -0.213 4.268 4.470 0.018 0.000 0.221 446 S C 1.981 176.568 174.600 -0.021 0.000 1.033 446 S CA 0.940 59.043 58.200 -0.163 0.000 1.010 446 S CB -0.558 62.666 63.200 0.040 0.000 0.891 446 S HN 0.391 nan 8.310 nan 0.000 0.442 447 K N 1.131 121.507 120.400 -0.040 0.000 2.044 447 K HA -0.006 4.325 4.320 0.018 0.000 0.210 447 K C 2.198 178.776 176.600 -0.037 0.000 1.049 447 K CA 1.566 57.837 56.287 -0.027 0.000 0.927 447 K CB -0.646 31.823 32.500 -0.053 0.000 0.713 447 K HN 0.352 nan 8.250 nan 0.000 0.443 448 L N 0.851 122.027 121.223 -0.079 0.000 2.081 448 L HA -0.230 4.121 4.340 0.018 0.000 0.212 448 L C 2.232 179.071 176.870 -0.053 0.000 1.080 448 L CA 1.371 56.166 54.840 -0.076 0.000 0.754 448 L CB -0.480 41.515 42.059 -0.107 0.000 0.893 448 L HN 0.295 nan 8.230 nan 0.000 0.433 449 L N -1.203 119.992 121.223 -0.048 0.000 2.446 449 L HA -0.080 4.271 4.340 0.018 0.000 0.219 449 L C 2.368 179.288 176.870 0.083 0.000 1.116 449 L CA 0.462 55.303 54.840 0.002 0.000 0.844 449 L CB -0.200 41.820 42.059 -0.064 0.000 0.970 449 L HN 0.211 nan 8.230 nan 0.000 0.457 450 K N 0.049 120.503 120.400 0.090 0.000 2.116 450 K HA -0.044 4.287 4.320 0.018 0.000 0.203 450 K C 1.812 178.416 176.600 0.007 0.000 1.052 450 K CA 0.710 57.032 56.287 0.059 0.000 0.952 450 K CB 0.060 32.592 32.500 0.053 0.000 0.729 450 K HN 0.276 nan 8.250 nan 0.000 0.446 451 N N 1.191 119.888 118.700 -0.005 0.000 2.166 451 N HA -0.149 4.603 4.740 0.018 0.000 0.186 451 N C 1.176 176.670 175.510 -0.026 0.000 1.019 451 N CA 1.192 54.230 53.050 -0.019 0.000 0.856 451 N CB 0.066 38.539 38.487 -0.023 0.000 0.993 451 N HN 0.197 nan 8.380 nan 0.000 0.426 452 K N 0.314 120.697 120.400 -0.029 0.000 2.487 452 K HA 0.073 4.404 4.320 0.018 0.000 0.192 452 K C 0.605 177.165 176.600 -0.066 0.000 1.027 452 K CA 0.121 56.379 56.287 -0.047 0.000 1.054 452 K CB 0.207 32.677 32.500 -0.050 0.000 0.824 452 K HN 0.153 nan 8.250 nan 0.000 0.510 453 G N 2.531 111.305 108.800 -0.044 0.000 2.366 453 G HA2 -0.257 3.714 3.960 0.018 0.000 0.299 453 G HA3 -0.257 3.714 3.960 0.018 0.000 0.299 453 G C -0.159 174.681 174.900 -0.100 0.000 1.020 453 G CA 0.030 45.096 45.100 -0.057 0.000 1.026 453 G HN 0.289 nan 8.290 nan 0.000 0.512 454 I N 2.055 122.594 120.570 -0.052 0.000 2.330 454 I HA 0.256 4.437 4.170 0.018 0.000 0.286 454 I C -1.684 174.517 176.117 0.140 0.000 1.025 454 I CA -2.448 58.802 61.300 -0.082 0.000 1.197 454 I CB 1.511 39.488 38.000 -0.039 0.000 1.358 454 I HN -0.045 nan 8.210 nan 0.000 0.467 455 P HA -0.023 nan 4.420 nan 0.000 0.261 455 P C -0.850 176.574 177.300 0.206 0.000 1.173 455 P CA 0.752 63.931 63.100 0.131 0.000 0.760 455 P CB 0.219 32.031 31.700 0.187 0.000 0.783 456 H N 0.668 119.781 119.070 0.072 0.000 2.928 456 H HA 0.455 5.022 4.556 0.019 0.000 0.285 456 H C -1.264 174.074 175.328 0.015 0.000 1.438 456 H CA -0.929 55.146 56.048 0.045 0.000 1.176 456 H CB 1.068 30.854 29.762 0.039 0.000 1.864 456 H HN 0.214 nan 8.280 nan 0.000 0.567 457 Q N 1.507 121.453 119.800 0.242 0.000 2.310 457 Q HA 0.370 4.721 4.340 0.018 0.000 0.270 457 Q C -0.415 175.709 176.000 0.206 0.000 1.025 457 Q CA -0.854 55.041 55.803 0.155 0.000 0.772 457 Q CB 3.236 32.011 28.738 0.062 0.000 1.253 457 Q HN 0.421 nan 8.270 nan 0.000 0.450 458 V N 3.135 123.162 119.914 0.189 0.000 3.003 458 V HA 0.324 4.455 4.120 0.018 0.000 0.305 458 V C 0.213 176.331 176.094 0.039 0.000 1.078 458 V CA -0.183 62.172 62.300 0.092 0.000 1.083 458 V CB 0.954 32.824 31.823 0.078 0.000 1.039 458 V HN 0.583 nan 8.190 nan 0.000 0.481 459 L N 4.016 125.250 121.223 0.017 0.000 2.485 459 L HA 0.371 4.722 4.340 0.018 0.000 0.260 459 L C -0.344 176.522 176.870 -0.007 0.000 0.998 459 L CA -0.709 54.132 54.840 0.000 0.000 0.883 459 L CB 1.365 43.426 42.059 0.004 0.000 1.196 459 L HN 0.830 nan 8.230 nan 0.000 0.443 460 N N 1.347 120.035 118.700 -0.020 0.000 2.479 460 N HA 0.176 4.927 4.740 0.018 0.000 0.257 460 N C 0.859 176.340 175.510 -0.047 0.000 1.232 460 N CA -0.126 52.908 53.050 -0.027 0.000 0.920 460 N CB 1.029 39.496 38.487 -0.033 0.000 1.105 460 N HN 0.503 nan 8.380 nan 0.000 0.444 461 A N 0.586 123.387 122.820 -0.033 0.000 2.215 461 A HA -0.045 4.286 4.320 0.018 0.000 0.208 461 A C 0.156 177.661 177.584 -0.132 0.000 1.296 461 A CA 0.285 52.303 52.037 -0.032 0.000 0.918 461 A CB -0.976 18.037 19.000 0.020 0.000 0.806 461 A HN 0.768 nan 8.150 nan 0.000 0.490 462 K N -1.290 118.980 120.400 -0.218 0.000 2.509 462 K HA 0.380 4.711 4.320 0.018 0.000 0.266 462 K C -0.487 175.901 176.600 -0.353 0.000 0.987 462 K CA -0.678 55.408 56.287 -0.335 0.000 0.868 462 K CB 0.731 33.145 32.500 -0.144 0.000 1.421 462 K HN 0.068 nan 8.250 nan 0.000 0.444 463 N N 1.238 119.733 118.700 -0.341 0.000 2.610 463 N HA -0.187 4.564 4.740 0.018 0.000 0.271 463 N C -0.403 174.959 175.510 -0.247 0.000 1.146 463 N CA 0.255 53.178 53.050 -0.211 0.000 0.711 463 N CB -0.576 37.842 38.487 -0.115 0.000 0.883 463 N HN 0.750 nan 8.380 nan 0.000 0.548 464 H N 0.583 119.608 119.070 -0.075 0.000 2.457 464 H HA -0.086 4.481 4.556 0.018 0.000 0.294 464 H C 1.876 176.987 175.328 -0.362 0.000 1.064 464 H CA 1.663 57.623 56.048 -0.147 0.000 1.330 464 H CB 0.166 29.889 29.762 -0.065 0.000 1.395 464 H HN 0.615 nan 8.280 nan 0.000 0.541 465 E N 1.061 121.100 120.200 -0.269 0.000 2.058 465 E HA -0.210 4.151 4.350 0.018 0.000 0.194 465 E C 2.385 178.804 176.600 -0.302 0.000 0.997 465 E CA 0.968 57.092 56.400 -0.460 0.000 0.801 465 E CB 0.114 29.704 29.700 -0.183 0.000 0.746 465 E HN 0.294 nan 8.360 nan 0.000 0.450 466 R N 0.396 120.795 120.500 -0.168 0.000 2.083 466 R HA -0.184 4.167 4.340 0.018 0.000 0.237 466 R C 2.008 178.242 176.300 -0.109 0.000 1.137 466 R CA 2.005 58.038 56.100 -0.111 0.000 0.951 466 R CB -0.177 30.076 30.300 -0.079 0.000 0.851 466 R HN 0.320 nan 8.270 nan 0.000 0.434 467 E N -0.194 119.936 120.200 -0.116 0.000 2.268 467 E HA -0.128 4.233 4.350 0.018 0.000 0.195 467 E C 1.846 178.405 176.600 -0.068 0.000 0.995 467 E CA 0.809 57.163 56.400 -0.076 0.000 0.836 467 E CB -0.053 29.609 29.700 -0.063 0.000 0.763 467 E HN 0.415 nan 8.360 nan 0.000 0.491 468 A N 1.564 124.305 122.820 -0.131 0.000 1.930 468 A HA -0.237 4.094 4.320 0.018 0.000 0.217 468 A C 2.086 179.650 177.584 -0.034 0.000 1.175 468 A CA 1.337 53.321 52.037 -0.087 0.000 0.627 468 A CB -0.291 18.575 19.000 -0.224 0.000 0.815 468 A HN 0.139 nan 8.150 nan 0.000 0.443 469 Q N -0.319 119.448 119.800 -0.055 0.000 2.083 469 Q HA -0.043 4.308 4.340 0.018 0.000 0.198 469 Q C 1.933 177.923 176.000 -0.016 0.000 0.969 469 Q CA 1.302 57.092 55.803 -0.022 0.000 0.838 469 Q CB -0.251 28.470 28.738 -0.028 0.000 0.900 469 Q HN 0.590 nan 8.270 nan 0.000 0.436 470 I N 0.612 121.168 120.570 -0.025 0.000 2.208 470 I HA -0.277 3.904 4.170 0.018 0.000 0.245 470 I C 2.224 178.337 176.117 -0.005 0.000 1.097 470 I CA 1.506 62.798 61.300 -0.015 0.000 1.363 470 I CB -0.863 37.127 38.000 -0.016 0.000 1.051 470 I HN 0.320 nan 8.210 nan 0.000 0.413 471 I N 0.706 121.275 120.570 -0.002 0.000 2.439 471 I HA -0.230 3.951 4.170 0.018 0.000 0.251 471 I C 2.357 178.479 176.117 0.009 0.000 1.139 471 I CA 1.047 62.351 61.300 0.007 0.000 1.438 471 I CB -0.039 37.971 38.000 0.016 0.000 1.085 471 I HN 0.310 nan 8.210 nan 0.000 0.427 472 E N 0.475 120.682 120.200 0.011 0.000 2.153 472 E HA -0.223 4.138 4.350 0.018 0.000 0.194 472 E C 1.430 178.031 176.600 0.002 0.000 0.988 472 E CA 0.909 57.316 56.400 0.011 0.000 0.811 472 E CB 0.023 29.732 29.700 0.016 0.000 0.746 472 E HN 0.438 nan 8.360 nan 0.000 0.466 473 E N -0.005 120.194 120.200 -0.002 0.000 2.489 473 E HA 0.042 4.403 4.350 0.018 0.000 0.193 473 E C 1.410 178.002 176.600 -0.013 0.000 1.057 473 E CA 0.275 56.670 56.400 -0.009 0.000 0.866 473 E CB 0.298 29.991 29.700 -0.011 0.000 0.916 473 E HN 0.201 nan 8.360 nan 0.000 0.500 474 A N 0.816 123.632 122.820 -0.008 0.000 2.206 474 A HA 0.129 4.461 4.320 0.018 0.000 0.211 474 A C 2.002 179.577 177.584 -0.015 0.000 1.158 474 A CA 0.982 53.013 52.037 -0.010 0.000 0.761 474 A CB -0.241 18.758 19.000 -0.002 0.000 0.801 474 A HN 0.229 nan 8.150 nan 0.000 0.473 475 G N -1.333 107.459 108.800 -0.013 0.000 3.233 475 G HA2 0.278 4.249 3.960 0.018 0.000 0.234 475 G HA3 0.278 4.249 3.960 0.018 0.000 0.234 475 G C 0.379 175.267 174.900 -0.021 0.000 1.137 475 G CA -0.196 44.895 45.100 -0.014 0.000 0.763 475 G HN 0.324 nan 8.290 nan 0.000 0.549 476 Q N 0.491 120.275 119.800 -0.028 0.000 2.214 476 Q HA 0.258 4.609 4.340 0.018 0.000 0.251 476 Q C -0.114 175.853 176.000 -0.054 0.000 0.936 476 Q CA -0.557 55.225 55.803 -0.035 0.000 0.894 476 Q CB 1.781 30.499 28.738 -0.033 0.000 1.252 476 Q HN 0.209 nan 8.270 nan 0.000 0.448 477 K N 0.035 120.401 120.400 -0.057 0.000 2.472 477 K HA 0.072 4.403 4.320 0.018 0.000 0.280 477 K C 0.638 177.160 176.600 -0.131 0.000 1.028 477 K CA 1.234 57.475 56.287 -0.078 0.000 1.045 477 K CB -0.175 32.290 32.500 -0.059 0.000 0.902 477 K HN 0.840 nan 8.250 nan 0.000 0.478 478 G N 2.012 110.695 108.800 -0.195 0.000 2.159 478 G HA2 -0.300 3.671 3.960 0.018 0.000 0.256 478 G HA3 -0.300 3.671 3.960 0.018 0.000 0.256 478 G C 0.109 174.797 174.900 -0.352 0.000 0.977 478 G CA 0.142 45.010 45.100 -0.388 0.000 0.652 478 G HN 0.909 nan 8.290 nan 0.000 0.531 479 A N -0.479 122.234 122.820 -0.179 0.000 2.425 479 A HA 0.676 5.007 4.320 0.018 0.000 0.249 479 A C 0.246 177.789 177.584 -0.067 0.000 1.084 479 A CA 0.624 52.601 52.037 -0.100 0.000 0.781 479 A CB 1.063 20.028 19.000 -0.058 0.000 1.019 479 A HN 1.305 nan 8.150 nan 0.000 0.490 480 V N 2.862 122.775 119.914 -0.002 0.000 2.532 480 V HA 0.458 4.589 4.120 0.018 0.000 0.294 480 V C -0.308 175.830 176.094 0.073 0.000 1.036 480 V CA -0.464 61.867 62.300 0.052 0.000 0.876 480 V CB 1.516 33.421 31.823 0.137 0.000 1.012 480 V HN 0.981 nan 8.190 nan 0.000 0.432 481 T N 5.301 119.873 114.554 0.030 0.000 2.863 481 T HA 0.755 5.117 4.350 0.018 0.000 0.285 481 T C -0.462 174.236 174.700 -0.004 0.000 1.009 481 T CA -0.398 61.717 62.100 0.026 0.000 0.989 481 T CB 2.386 71.262 68.868 0.013 0.000 1.004 481 T HN 0.700 nan 8.240 nan 0.000 0.455 482 I N 1.286 121.853 120.570 -0.005 0.000 2.476 482 I HA 0.712 4.893 4.170 0.018 0.000 0.281 482 I C -1.022 175.093 176.117 -0.004 0.000 1.040 482 I CA -1.034 60.247 61.300 -0.031 0.000 1.094 482 I CB 0.604 38.550 38.000 -0.089 0.000 1.219 482 I HN 0.766 nan 8.210 nan 0.000 0.450 483 A N 5.180 128.003 122.820 0.005 0.000 2.316 483 A HA 0.516 4.847 4.320 0.018 0.000 0.324 483 A C 0.241 177.843 177.584 0.030 0.000 1.375 483 A CA -0.436 51.612 52.037 0.018 0.000 0.882 483 A CB 0.256 19.269 19.000 0.021 0.000 1.152 483 A HN 0.728 nan 8.150 nan 0.000 0.512 484 T N 2.963 117.531 114.554 0.025 0.000 2.800 484 T HA -0.051 4.310 4.350 0.018 0.000 0.283 484 T C 0.916 175.642 174.700 0.043 0.000 0.999 484 T CA 0.527 62.647 62.100 0.033 0.000 1.176 484 T CB -0.401 68.480 68.868 0.022 0.000 0.973 484 T HN 0.853 nan 8.240 nan 0.000 0.519 485 N N 5.124 123.859 118.700 0.058 0.000 1.792 485 N HA -0.240 4.511 4.740 0.018 0.000 0.321 485 N C 0.632 176.160 175.510 0.030 0.000 1.314 485 N CA 0.807 53.884 53.050 0.045 0.000 0.814 485 N CB -0.872 37.650 38.487 0.058 0.000 1.073 485 N HN 0.953 nan 8.380 nan 0.000 0.503 486 M N 0.242 119.855 119.600 0.021 0.000 2.505 486 M HA -0.193 4.298 4.480 0.018 0.000 0.194 486 M C -1.426 174.913 176.300 0.065 0.000 0.771 486 M CA 1.152 56.476 55.300 0.039 0.000 0.553 486 M CB -2.209 30.415 32.600 0.040 0.000 1.354 486 M HN 0.610 nan 8.290 nan 0.000 0.874 487 A N 1.089 123.942 122.820 0.055 0.000 2.359 487 A HA 0.847 5.178 4.320 0.018 0.000 0.303 487 A C 1.187 178.805 177.584 0.057 0.000 1.066 487 A CA 0.372 52.444 52.037 0.058 0.000 0.730 487 A CB 1.460 20.479 19.000 0.031 0.000 1.211 487 A HN 2.275 nan 8.150 nan 0.000 0.439 488 G N 1.325 110.170 108.800 0.074 0.000 2.159 488 G HA2 -0.226 3.745 3.960 0.018 0.000 0.256 488 G HA3 -0.226 3.745 3.960 0.018 0.000 0.256 488 G C 0.396 175.337 174.900 0.068 0.000 0.977 488 G CA 0.391 45.527 45.100 0.060 0.000 0.652 488 G HN 0.907 nan 8.290 nan 0.000 0.531 489 R N -0.293 120.250 120.500 0.073 0.000 2.638 489 R HA 0.351 4.702 4.340 0.018 0.000 0.268 489 R C 1.685 178.023 176.300 0.062 0.000 1.006 489 R CA 1.619 57.751 56.100 0.054 0.000 1.088 489 R CB 0.142 30.465 30.300 0.040 0.000 0.950 489 R HN 1.358 nan 8.270 nan 0.000 0.419 490 G N 1.660 110.486 108.800 0.044 0.000 2.241 490 G HA2 -0.265 3.706 3.960 0.018 0.000 0.244 490 G HA3 -0.265 3.706 3.960 0.018 0.000 0.244 490 G C 0.023 174.957 174.900 0.056 0.000 0.998 490 G CA 0.317 45.443 45.100 0.044 0.000 0.621 490 G HN 0.595 nan 8.290 nan 0.000 0.519 491 T N 1.751 116.346 114.554 0.068 0.000 2.794 491 T HA 0.559 4.920 4.350 0.018 0.000 0.280 491 T C -0.542 174.184 174.700 0.042 0.000 0.987 491 T CA -0.460 61.680 62.100 0.067 0.000 0.993 491 T CB 1.981 70.900 68.868 0.085 0.000 0.939 491 T HN 0.184 nan 8.240 nan 0.000 0.449 492 D N 1.555 121.975 120.400 0.033 0.000 2.362 492 D HA 0.262 4.913 4.640 0.018 0.000 0.242 492 D C -0.003 176.310 176.300 0.021 0.000 1.132 492 D CA -0.046 53.968 54.000 0.023 0.000 0.907 492 D CB 0.634 41.445 40.800 0.019 0.000 1.195 492 D HN 0.419 nan 8.370 nan 0.000 0.429 493 I N 2.136 122.715 120.570 0.015 0.000 2.388 493 I HA 0.133 4.314 4.170 0.018 0.000 0.281 493 I C 0.204 176.325 176.117 0.007 0.000 1.046 493 I CA -0.594 60.713 61.300 0.011 0.000 1.187 493 I CB 0.438 38.443 38.000 0.008 0.000 1.351 493 I HN 0.011 nan 8.210 nan 0.000 0.472 494 K N 6.771 127.174 120.400 0.006 0.000 2.276 494 K HA 0.473 4.804 4.320 0.018 0.000 0.283 494 K C -0.460 176.139 176.600 -0.001 0.000 1.044 494 K CA -0.539 55.751 56.287 0.004 0.000 0.944 494 K CB 1.424 33.928 32.500 0.006 0.000 1.012 494 K HN 0.480 nan 8.250 nan 0.000 0.472 495 L N 1.850 123.071 121.223 -0.003 0.000 2.395 495 L HA 0.251 4.602 4.340 0.018 0.000 0.269 495 L C 1.143 178.008 176.870 -0.008 0.000 1.133 495 L CA -0.558 54.278 54.840 -0.007 0.000 0.812 495 L CB 0.484 42.538 42.059 -0.007 0.000 1.125 495 L HN 0.684 nan 8.230 nan 0.000 0.452 496 G N 0.576 109.368 108.800 -0.013 0.000 2.588 496 G HA2 0.213 4.184 3.960 0.018 0.000 0.281 496 G HA3 0.213 4.184 3.960 0.018 0.000 0.281 496 G C -0.373 174.520 174.900 -0.012 0.000 1.236 496 G CA -0.476 44.616 45.100 -0.014 0.000 0.969 496 G HN 0.685 nan 8.290 nan 0.000 0.504 497 E N -0.518 119.675 120.200 -0.012 0.000 2.820 497 E HA 0.259 4.620 4.350 0.018 0.000 0.251 497 E C 1.510 178.104 176.600 -0.011 0.000 0.944 497 E CA 1.424 57.818 56.400 -0.010 0.000 0.955 497 E CB -0.288 29.406 29.700 -0.010 0.000 0.904 497 E HN 1.323 nan 8.360 nan 0.000 0.513 498 G N 3.040 111.835 108.800 -0.009 0.000 2.200 498 G HA2 -0.336 3.635 3.960 0.018 0.000 0.267 498 G HA3 -0.336 3.635 3.960 0.018 0.000 0.267 498 G C 0.953 175.847 174.900 -0.010 0.000 0.993 498 G CA 0.517 45.612 45.100 -0.008 0.000 0.701 498 G HN 0.497 nan 8.290 nan 0.000 0.524 499 V N -0.315 119.592 119.914 -0.012 0.000 2.548 499 V HA -0.103 4.028 4.120 0.018 0.000 0.249 499 V C 2.775 178.863 176.094 -0.010 0.000 1.055 499 V CA 2.633 64.924 62.300 -0.015 0.000 1.065 499 V CB -0.276 31.536 31.823 -0.018 0.000 0.681 499 V HN 0.457 nan 8.190 nan 0.000 0.462 500 K N 0.774 121.169 120.400 -0.008 0.000 2.059 500 K HA -0.233 4.098 4.320 0.018 0.000 0.212 500 K C 2.020 178.617 176.600 -0.004 0.000 1.050 500 K CA 2.036 58.320 56.287 -0.006 0.000 0.927 500 K CB -0.251 32.246 32.500 -0.005 0.000 0.714 500 K HN 0.647 nan 8.250 nan 0.000 0.447 501 E N -0.090 120.107 120.200 -0.004 0.000 2.418 501 E HA -0.138 4.224 4.350 0.018 0.000 0.197 501 E C 1.460 178.059 176.600 -0.002 0.000 1.026 501 E CA 0.653 57.051 56.400 -0.003 0.000 0.862 501 E CB 0.016 29.715 29.700 -0.002 0.000 0.799 501 E HN 0.349 nan 8.360 nan 0.000 0.518 502 L N -0.037 121.184 121.223 -0.003 0.000 2.592 502 L HA 0.171 4.522 4.340 0.018 0.000 0.227 502 L C 1.313 178.183 176.870 -0.000 0.000 1.127 502 L CA 0.421 55.259 54.840 -0.002 0.000 0.884 502 L CB 0.271 42.326 42.059 -0.007 0.000 1.065 502 L HN 0.314 nan 8.230 nan 0.000 0.457 503 G N -0.973 107.827 108.800 -0.001 0.000 2.179 503 G HA2 -0.070 3.901 3.960 0.018 0.000 0.220 503 G HA3 -0.070 3.901 3.960 0.018 0.000 0.220 503 G C 0.653 175.552 174.900 -0.001 0.000 0.990 503 G CA -0.251 44.849 45.100 0.001 0.000 0.646 503 G HN 0.778 nan 8.290 nan 0.000 0.517 504 G N -0.960 107.837 108.800 -0.004 0.000 2.681 504 G HA2 0.168 4.139 3.960 0.018 0.000 0.220 504 G HA3 0.168 4.139 3.960 0.018 0.000 0.220 504 G C -0.055 174.841 174.900 -0.007 0.000 1.353 504 G CA 0.032 45.129 45.100 -0.005 0.000 0.872 504 G HN 1.751 nan 8.290 nan 0.000 0.557 505 L N 1.066 122.285 121.223 -0.006 0.000 2.477 505 L HA 0.611 4.962 4.340 0.018 0.000 0.272 505 L C 1.028 177.894 176.870 -0.005 0.000 1.157 505 L CA 0.919 55.754 54.840 -0.008 0.000 0.889 505 L CB 0.209 42.264 42.059 -0.006 0.000 1.158 505 L HN 1.721 nan 8.230 nan 0.000 0.473 506 A N 5.782 128.598 122.820 -0.006 0.000 2.274 506 A HA 0.666 4.997 4.320 0.018 0.000 0.309 506 A C -0.697 176.880 177.584 -0.013 0.000 1.226 506 A CA -0.569 51.467 52.037 -0.003 0.000 0.853 506 A CB 0.654 19.658 19.000 0.007 0.000 1.146 506 A HN 0.558 nan 8.150 nan 0.000 0.518 507 V N 2.698 122.597 119.914 -0.024 0.000 2.513 507 V HA 0.567 4.698 4.120 0.018 0.000 0.299 507 V C -0.344 175.696 176.094 -0.090 0.000 1.035 507 V CA -0.529 61.737 62.300 -0.056 0.000 0.889 507 V CB 1.609 33.394 31.823 -0.063 0.000 0.988 507 V HN 0.594 nan 8.190 nan 0.000 0.440 508 V N 3.141 122.987 119.914 -0.113 0.000 2.462 508 V HA 0.577 4.708 4.120 0.018 0.000 0.288 508 V C 0.550 176.530 176.094 -0.190 0.000 1.020 508 V CA -0.397 61.845 62.300 -0.096 0.000 0.857 508 V CB 1.736 33.546 31.823 -0.022 0.000 1.013 508 V HN 1.018 nan 8.190 nan 0.000 0.431 509 G N 2.012 110.542 108.800 -0.449 0.000 2.355 509 G HA2 0.402 4.373 3.960 0.018 0.000 0.276 509 G HA3 0.402 4.373 3.960 0.018 0.000 0.276 509 G C 0.989 175.886 174.900 -0.006 0.000 1.198 509 G CA 0.420 45.299 45.100 -0.369 0.000 0.876 509 G HN 0.826 nan 8.290 nan 0.000 0.478 510 T N -1.096 113.492 114.554 0.056 0.000 3.160 510 T HA 0.168 4.530 4.350 0.018 0.000 0.257 510 T C 0.508 175.290 174.700 0.136 0.000 1.147 510 T CA 0.772 62.933 62.100 0.102 0.000 1.064 510 T CB -0.519 68.427 68.868 0.130 0.000 0.949 510 T HN 0.835 nan 8.240 nan 0.000 0.526 511 E N -0.918 119.381 120.200 0.166 0.000 2.405 511 E HA 0.259 4.620 4.350 0.018 0.000 0.283 511 E C -1.468 175.126 176.600 -0.009 0.000 1.140 511 E CA -1.293 55.175 56.400 0.115 0.000 0.904 511 E CB 0.613 30.342 29.700 0.049 0.000 1.209 511 E HN -0.123 nan 8.360 nan 0.000 0.428 512 R N 1.243 121.670 120.500 -0.121 0.000 2.641 512 R HA 0.321 4.673 4.340 0.018 0.000 0.269 512 R C -0.217 175.897 176.300 -0.310 0.000 1.074 512 R CA -0.036 55.835 56.100 -0.381 0.000 1.133 512 R CB 0.234 30.339 30.300 -0.326 0.000 1.029 512 R HN 0.550 nan 8.270 nan 0.000 0.488 513 H N -0.004 119.058 119.070 -0.012 0.000 2.580 513 H HA 0.153 4.720 4.556 0.018 0.000 0.324 513 H C 0.593 175.927 175.328 0.011 0.000 1.436 513 H CA -0.690 55.376 56.048 0.031 0.000 1.464 513 H CB 0.891 30.687 29.762 0.055 0.000 1.752 513 H HN 0.494 nan 8.280 nan 0.000 0.726 514 E N 0.062 120.372 120.200 0.184 0.000 2.526 514 E HA 0.010 4.371 4.350 0.018 0.000 0.198 514 E C -0.412 176.236 176.600 0.080 0.000 1.091 514 E CA 0.353 56.813 56.400 0.101 0.000 0.880 514 E CB 0.226 29.979 29.700 0.088 0.000 0.873 514 E HN 0.299 nan 8.360 nan 0.000 0.527 515 S N -0.869 114.888 115.700 0.096 0.000 2.596 515 S HA 0.169 4.650 4.470 0.018 0.000 0.305 515 S C 0.194 174.835 174.600 0.069 0.000 1.086 515 S CA -0.745 57.493 58.200 0.062 0.000 0.909 515 S CB 0.866 64.096 63.200 0.051 0.000 1.106 515 S HN 0.062 nan 8.310 nan 0.000 0.450 516 R N 2.357 122.875 120.500 0.031 0.000 2.139 516 R HA -0.063 4.288 4.340 0.018 0.000 0.243 516 R C 2.308 178.635 176.300 0.045 0.000 1.145 516 R CA 1.584 57.693 56.100 0.016 0.000 0.976 516 R CB -0.179 30.116 30.300 -0.010 0.000 0.866 516 R HN 0.578 nan 8.270 nan 0.000 0.449 517 R N 0.535 121.061 120.500 0.043 0.000 2.115 517 R HA -0.204 4.148 4.340 0.018 0.000 0.239 517 R C 2.283 178.610 176.300 0.045 0.000 1.133 517 R CA 1.959 58.087 56.100 0.047 0.000 0.935 517 R CB -0.538 29.788 30.300 0.043 0.000 0.853 517 R HN 0.276 nan 8.270 nan 0.000 0.433 518 I N 0.683 121.266 120.570 0.021 0.000 2.226 518 I HA -0.270 3.912 4.170 0.018 0.000 0.245 518 I C 1.794 177.959 176.117 0.081 0.000 1.100 518 I CA 1.176 62.424 61.300 -0.087 0.000 1.374 518 I CB -0.486 37.310 38.000 -0.340 0.000 1.057 518 I HN 0.140 nan 8.210 nan 0.000 0.413 519 D N 1.206 121.804 120.400 0.331 0.000 2.106 519 D HA -0.178 4.473 4.640 0.018 0.000 0.191 519 D C 1.906 178.397 176.300 0.318 0.000 0.997 519 D CA 1.312 55.530 54.000 0.364 0.000 0.834 519 D CB -0.422 40.347 40.800 -0.052 0.000 0.956 519 D HN 0.339 nan 8.370 nan 0.000 0.448 520 N N 0.475 119.276 118.700 0.167 0.000 2.270 520 N HA -0.120 4.631 4.740 0.018 0.000 0.181 520 N C 1.811 177.403 175.510 0.137 0.000 1.016 520 N CA 0.361 53.498 53.050 0.146 0.000 0.870 520 N CB -0.234 38.303 38.487 0.084 0.000 0.979 520 N HN 0.361 nan 8.380 nan 0.000 0.431 521 Q N 0.543 120.410 119.800 0.111 0.000 2.045 521 Q HA -0.163 4.188 4.340 0.018 0.000 0.206 521 Q C 2.007 178.067 176.000 0.100 0.000 0.991 521 Q CA 1.289 57.138 55.803 0.076 0.000 0.851 521 Q CB -0.128 28.629 28.738 0.032 0.000 0.911 521 Q HN 0.156 nan 8.270 nan 0.000 0.418 522 L N 0.880 122.203 121.223 0.166 0.000 1.971 522 L HA -0.247 4.104 4.340 0.018 0.000 0.215 522 L C 2.215 179.153 176.870 0.114 0.000 1.072 522 L CA 1.914 56.852 54.840 0.163 0.000 0.758 522 L CB -0.472 41.764 42.059 0.294 0.000 0.889 522 L HN 0.170 nan 8.230 nan 0.000 0.433 523 R N -0.812 119.791 120.500 0.172 0.000 2.139 523 R HA -0.165 4.186 4.340 0.018 0.000 0.243 523 R C 2.158 178.503 176.300 0.074 0.000 1.145 523 R CA 1.116 57.288 56.100 0.119 0.000 0.976 523 R CB -1.159 29.242 30.300 0.167 0.000 0.866 523 R HN 0.597 nan 8.270 nan 0.000 0.449 524 G N 1.972 110.817 108.800 0.076 0.000 2.469 524 G HA2 -0.282 3.689 3.960 0.018 0.000 0.220 524 G HA3 -0.282 3.689 3.960 0.018 0.000 0.220 524 G C 1.285 176.205 174.900 0.033 0.000 1.136 524 G CA 0.436 45.565 45.100 0.049 0.000 0.759 524 G HN 0.322 nan 8.290 nan 0.000 0.562 525 R N 0.479 120.999 120.500 0.033 0.000 2.377 525 R HA 0.048 4.399 4.340 0.018 0.000 0.207 525 R C 2.137 178.445 176.300 0.014 0.000 1.075 525 R CA 1.012 57.126 56.100 0.022 0.000 1.035 525 R CB -0.208 30.104 30.300 0.021 0.000 0.857 525 R HN 0.399 nan 8.270 nan 0.000 0.475 526 S N -0.320 115.389 115.700 0.015 0.000 2.591 526 S HA 0.085 4.566 4.470 0.018 0.000 0.235 526 S C 1.594 176.197 174.600 0.006 0.000 1.074 526 S CA 0.322 58.527 58.200 0.009 0.000 0.925 526 S CB 0.410 63.615 63.200 0.009 0.000 0.818 526 S HN 0.457 nan 8.310 nan 0.000 0.535 527 G N 2.875 111.680 108.800 0.008 0.000 3.371 527 G HA2 0.178 4.149 3.960 0.018 0.000 0.248 527 G HA3 0.178 4.149 3.960 0.018 0.000 0.248 527 G C 0.212 175.109 174.900 -0.006 0.000 1.161 527 G CA -0.653 44.449 45.100 0.002 0.000 0.796 527 G HN 0.608 nan 8.290 nan 0.000 0.539 528 R N -0.131 120.366 120.500 -0.005 0.000 2.583 528 R HA 0.127 4.478 4.340 0.018 0.000 0.274 528 R C 0.125 176.412 176.300 -0.021 0.000 0.998 528 R CA -0.058 56.035 56.100 -0.012 0.000 1.081 528 R CB 0.294 30.592 30.300 -0.004 0.000 0.940 528 R HN 0.062 nan 8.270 nan 0.000 0.413 529 Q N 0.771 120.548 119.800 -0.039 0.000 2.416 529 Q HA -0.219 4.132 4.340 0.018 0.000 0.235 529 Q C 0.860 176.829 176.000 -0.051 0.000 0.773 529 Q CA 1.832 57.601 55.803 -0.057 0.000 1.286 529 Q CB -1.949 26.766 28.738 -0.039 0.000 1.556 529 Q HN 1.362 nan 8.270 nan 0.000 0.650 530 G N -0.205 108.571 108.800 -0.039 0.000 2.132 530 G HA2 -0.229 3.742 3.960 0.018 0.000 0.234 530 G HA3 -0.229 3.742 3.960 0.018 0.000 0.234 530 G C -0.264 174.623 174.900 -0.021 0.000 0.989 530 G CA 0.111 45.191 45.100 -0.032 0.000 0.676 530 G HN 0.337 nan 8.290 nan 0.000 0.522 531 D N 1.514 121.904 120.400 -0.016 0.000 2.382 531 D HA 0.415 5.066 4.640 0.018 0.000 0.240 531 D C -1.353 174.942 176.300 -0.007 0.000 1.146 531 D CA -0.830 53.163 54.000 -0.010 0.000 0.897 531 D CB 0.755 41.551 40.800 -0.008 0.000 1.197 531 D HN 0.261 nan 8.370 nan 0.000 0.432 532 P HA 0.364 nan 4.420 nan 0.000 0.273 532 P C -0.183 177.117 177.300 -0.001 0.000 1.250 532 P CA -0.399 62.700 63.100 -0.002 0.000 0.793 532 P CB 0.816 32.515 31.700 -0.001 0.000 1.011 533 G N -0.281 108.521 108.800 0.002 0.000 2.404 533 G HA2 0.493 4.464 3.960 0.018 0.000 0.298 533 G HA3 0.493 4.464 3.960 0.018 0.000 0.298 533 G C -1.434 173.470 174.900 0.007 0.000 1.577 533 G CA -0.713 44.389 45.100 0.004 0.000 0.847 533 G HN 0.660 nan 8.290 nan 0.000 0.598 534 I N -0.970 119.604 120.570 0.007 0.000 2.608 534 I HA 0.929 5.110 4.170 0.018 0.000 0.295 534 I C -0.509 175.611 176.117 0.006 0.000 1.049 534 I CA -0.869 60.437 61.300 0.011 0.000 1.063 534 I CB 2.469 40.477 38.000 0.013 0.000 1.248 534 I HN 0.749 nan 8.210 nan 0.000 0.424 535 T N 2.695 117.256 114.554 0.010 0.000 2.893 535 T HA 0.656 5.017 4.350 0.018 0.000 0.293 535 T C -1.021 173.679 174.700 -0.000 0.000 1.027 535 T CA -0.408 61.685 62.100 -0.012 0.000 0.988 535 T CB 2.261 71.130 68.868 0.002 0.000 1.043 535 T HN 0.882 nan 8.240 nan 0.000 0.461 536 Q N 2.327 122.092 119.800 -0.059 0.000 2.309 536 Q HA 0.635 4.986 4.340 0.018 0.000 0.273 536 Q C -2.179 173.761 176.000 -0.100 0.000 1.040 536 Q CA -0.594 55.195 55.803 -0.024 0.000 0.834 536 Q CB 1.522 30.249 28.738 -0.018 0.000 1.345 536 Q HN 0.694 nan 8.270 nan 0.000 0.414 537 F N 2.142 122.076 119.950 -0.027 0.000 2.432 537 F HA 0.555 5.092 4.527 0.017 0.000 0.329 537 F C -0.590 175.170 175.800 -0.066 0.000 1.076 537 F CA -0.288 57.728 58.000 0.026 0.000 1.018 537 F CB 1.198 40.189 39.000 -0.015 0.000 1.201 537 F HN 0.490 nan 8.300 nan 0.000 0.489 538 Y N 2.342 122.742 120.300 0.167 0.000 2.393 538 Y HA 0.690 5.250 4.550 0.017 0.000 0.341 538 Y C -0.674 175.280 175.900 0.090 0.000 0.988 538 Y CA -0.867 57.307 58.100 0.124 0.000 1.078 538 Y CB 1.591 40.078 38.460 0.045 0.000 1.203 538 Y HN 0.261 nan 8.280 nan 0.000 0.453 539 L N 2.721 124.066 121.223 0.203 0.000 2.422 539 L HA 0.574 4.925 4.340 0.018 0.000 0.264 539 L C -0.575 176.356 176.870 0.101 0.000 0.984 539 L CA -0.792 54.107 54.840 0.098 0.000 0.819 539 L CB 2.422 44.501 42.059 0.034 0.000 1.330 539 L HN 0.637 nan 8.230 nan 0.000 0.410 540 S N 2.141 117.853 115.700 0.020 0.000 2.525 540 S HA 0.375 4.856 4.470 0.018 0.000 0.290 540 S C 0.872 175.478 174.600 0.010 0.000 1.152 540 S CA -0.769 57.440 58.200 0.014 0.000 1.072 540 S CB 1.505 64.653 63.200 -0.087 0.000 1.027 540 S HN 0.640 nan 8.310 nan 0.000 0.500 541 M N 1.425 121.038 119.600 0.021 0.000 2.435 541 M HA -0.028 4.463 4.480 0.018 0.000 0.262 541 M C 1.570 177.874 176.300 0.007 0.000 1.065 541 M CA 1.239 56.545 55.300 0.010 0.000 1.076 541 M CB -1.302 31.271 32.600 -0.045 0.000 1.403 541 M HN 0.947 nan 8.290 nan 0.000 0.454 542 E N -0.174 120.023 120.200 -0.006 0.000 2.476 542 E HA -0.018 4.343 4.350 0.018 0.000 0.191 542 E C -0.494 176.109 176.600 0.005 0.000 1.064 542 E CA 0.021 56.419 56.400 -0.004 0.000 0.866 542 E CB 0.478 30.168 29.700 -0.017 0.000 0.952 542 E HN 0.270 nan 8.360 nan 0.000 0.492 543 D N -0.432 119.973 120.400 0.009 0.000 2.643 543 D HA 0.091 4.742 4.640 0.018 0.000 0.283 543 D C -0.947 175.371 176.300 0.030 0.000 1.242 543 D CA -0.563 53.450 54.000 0.021 0.000 0.863 543 D CB 1.141 41.952 40.800 0.019 0.000 1.382 543 D HN -0.092 nan 8.370 nan 0.000 0.444 544 E N 0.755 120.976 120.200 0.036 0.000 3.014 544 E HA -0.124 4.237 4.350 0.018 0.000 0.293 544 E C 0.924 177.544 176.600 0.034 0.000 0.949 544 E CA 0.998 57.422 56.400 0.039 0.000 0.993 544 E CB 0.235 29.959 29.700 0.039 0.000 1.019 544 E HN 0.570 nan 8.360 nan 0.000 0.480 545 L N -0.547 120.700 121.223 0.040 0.000 5.060 545 L HA -0.295 4.056 4.340 0.018 0.000 0.408 545 L C 1.118 178.018 176.870 0.051 0.000 0.917 545 L CA 1.123 55.983 54.840 0.033 0.000 1.627 545 L CB -0.853 41.208 42.059 0.004 0.000 1.732 545 L HN 0.520 nan 8.230 nan 0.000 0.611 546 M N -0.922 118.720 119.600 0.069 0.000 2.504 546 M HA 0.219 4.710 4.480 0.018 0.000 0.370 546 M C 1.513 177.928 176.300 0.191 0.000 1.110 546 M CA 0.483 55.844 55.300 0.101 0.000 0.938 546 M CB 0.190 32.812 32.600 0.036 0.000 1.460 546 M HN 0.023 nan 8.290 nan 0.000 0.535 547 R N -0.773 119.821 120.500 0.156 0.000 2.115 547 R HA 0.075 4.426 4.340 0.018 0.000 0.226 547 R C 1.616 178.018 176.300 0.170 0.000 1.100 547 R CA 0.477 56.661 56.100 0.140 0.000 0.980 547 R CB -0.470 29.880 30.300 0.084 0.000 0.875 547 R HN 0.243 nan 8.270 nan 0.000 0.445 548 R N 0.775 121.393 120.500 0.196 0.000 2.208 548 R HA -0.182 4.169 4.340 0.018 0.000 0.262 548 R C 1.204 177.483 176.300 -0.035 0.000 1.166 548 R CA 1.569 57.726 56.100 0.096 0.000 0.987 548 R CB -0.389 30.011 30.300 0.166 0.000 0.887 548 R HN 0.262 nan 8.270 nan 0.000 0.459 549 F N -1.311 118.682 119.950 0.071 0.000 2.641 549 F HA 0.254 4.790 4.527 0.014 0.000 0.302 549 F C 2.018 177.859 175.800 0.068 0.000 1.098 549 F CA 0.092 58.157 58.000 0.108 0.000 1.318 549 F CB -0.033 39.101 39.000 0.223 0.000 1.035 549 F HN 0.014 nan 8.300 nan 0.000 0.551 550 G N 0.547 109.447 108.800 0.167 0.000 2.453 550 G HA2 -0.110 3.862 3.960 0.018 0.000 0.215 550 G HA3 -0.110 3.862 3.960 0.018 0.000 0.215 550 G C 1.175 176.114 174.900 0.065 0.000 1.201 550 G CA 0.605 45.766 45.100 0.102 0.000 0.784 550 G HN 0.352 nan 8.290 nan 0.000 0.545 551 A N 0.406 123.251 122.820 0.041 0.000 3.126 551 A HA 0.566 4.897 4.320 0.018 0.000 0.268 551 A C -0.043 177.547 177.584 0.010 0.000 1.605 551 A CA -0.246 51.802 52.037 0.018 0.000 1.305 551 A CB -0.321 18.682 19.000 0.005 0.000 1.160 551 A HN 0.402 nan 8.150 nan 0.000 0.609 552 E N 1.445 121.663 120.200 0.032 0.000 2.191 552 E HA 0.548 4.909 4.350 0.018 0.000 0.263 552 E C -0.409 176.211 176.600 0.033 0.000 0.881 552 E CA -0.666 55.754 56.400 0.034 0.000 0.757 552 E CB 0.918 30.677 29.700 0.098 0.000 1.147 552 E HN 0.438 nan 8.360 nan 0.000 0.414 553 R N 2.153 122.665 120.500 0.020 0.000 2.922 553 R HA 0.631 4.983 4.340 0.018 0.000 0.256 553 R C -0.872 175.439 176.300 0.019 0.000 1.138 553 R CA -0.872 55.238 56.100 0.016 0.000 0.995 553 R CB 1.907 32.210 30.300 0.006 0.000 1.226 553 R HN 0.596 nan 8.270 nan 0.000 0.481 554 T N 0.481 115.044 114.554 0.016 0.000 2.896 554 T HA 0.447 4.808 4.350 0.018 0.000 0.297 554 T C 0.897 175.604 174.700 0.012 0.000 1.108 554 T CA -0.508 61.603 62.100 0.020 0.000 1.004 554 T CB 1.869 70.752 68.868 0.025 0.000 1.159 554 T HN 0.331 nan 8.240 nan 0.000 0.499 555 M N 0.759 120.367 119.600 0.012 0.000 2.858 555 M HA 0.425 4.916 4.480 0.018 0.000 0.255 555 M C 0.589 176.894 176.300 0.008 0.000 1.336 555 M CA 0.391 55.696 55.300 0.008 0.000 1.220 555 M CB 0.473 33.077 32.600 0.006 0.000 1.252 555 M HN 0.600 nan 8.290 nan 0.000 0.538 556 A N 1.333 124.160 122.820 0.011 0.000 2.876 556 A HA 0.736 5.068 4.320 0.018 0.000 0.309 556 A C -0.639 176.954 177.584 0.015 0.000 1.168 556 A CA -0.454 51.589 52.037 0.011 0.000 0.762 556 A CB 0.792 19.797 19.000 0.008 0.000 1.262 556 A HN 0.365 nan 8.150 nan 0.000 0.435 557 M N 0.471 120.083 119.600 0.019 0.000 2.956 557 M HA 0.242 4.733 4.480 0.018 0.000 0.272 557 M C -1.684 174.633 176.300 0.028 0.000 1.132 557 M CA -0.788 54.528 55.300 0.027 0.000 0.805 557 M CB 1.454 34.078 32.600 0.039 0.000 1.639 557 M HN 0.367 nan 8.290 nan 0.000 0.520 558 L N 2.539 123.782 121.223 0.034 0.000 2.565 558 L HA 0.078 4.429 4.340 0.018 0.000 0.275 558 L C -0.139 176.750 176.870 0.032 0.000 1.137 558 L CA 0.623 55.480 54.840 0.028 0.000 0.915 558 L CB -0.576 41.501 42.059 0.029 0.000 1.232 558 L HN 0.451 nan 8.230 nan 0.000 0.473 559 D N 4.598 125.003 120.400 0.009 0.000 2.450 559 D HA 0.057 4.708 4.640 0.018 0.000 0.247 559 D C 0.743 177.008 176.300 -0.058 0.000 1.162 559 D CA 0.228 54.224 54.000 -0.006 0.000 0.879 559 D CB 0.438 41.230 40.800 -0.013 0.000 1.163 559 D HN 0.417 nan 8.370 nan 0.000 0.472 560 R N 2.826 123.269 120.500 -0.096 0.000 3.489 560 R HA -0.230 4.121 4.340 0.018 0.000 0.489 560 R C 1.156 176.999 176.300 -0.762 0.000 0.770 560 R CA 1.025 56.915 56.100 -0.351 0.000 1.404 560 R CB -3.023 27.078 30.300 -0.333 0.000 2.091 560 R HN 1.091 nan 8.270 nan 0.000 0.456 561 F N -2.821 117.141 119.950 0.020 0.000 3.048 561 F HA -0.242 4.296 4.527 0.017 0.000 0.287 561 F C 0.511 176.287 175.800 -0.040 0.000 0.796 561 F CA 1.934 59.933 58.000 -0.002 0.000 1.111 561 F CB -1.925 37.086 39.000 0.018 0.000 1.320 561 F HN 0.341 nan 8.300 nan 0.000 0.430 562 G N 0.283 109.016 108.800 -0.110 0.000 4.417 562 G HA2 0.322 4.293 3.960 0.018 0.000 0.221 562 G HA3 0.322 4.293 3.960 0.018 0.000 0.221 562 G C 0.396 175.240 174.900 -0.093 0.000 1.003 562 G CA -0.020 45.060 45.100 -0.033 0.000 0.832 562 G HN 1.037 nan 8.290 nan 0.000 0.356 563 M N 0.857 120.387 119.600 -0.118 0.000 2.101 563 M HA 0.042 4.533 4.480 0.018 0.000 0.355 563 M C 0.964 177.237 176.300 -0.046 0.000 0.971 563 M CA 2.049 57.297 55.300 -0.087 0.000 0.822 563 M CB 0.147 32.707 32.600 -0.068 0.000 1.627 563 M HN 0.487 nan 8.290 nan 0.000 0.476 564 D N -0.633 119.747 120.400 -0.033 0.000 3.046 564 D HA -0.295 4.356 4.640 0.018 0.000 0.210 564 D C 0.113 176.422 176.300 0.015 0.000 1.124 564 D CA 1.653 55.648 54.000 -0.008 0.000 0.986 564 D CB -2.212 38.585 40.800 -0.005 0.000 1.118 564 D HN 1.135 nan 8.370 nan 0.000 0.416 565 D N -1.125 119.291 120.400 0.027 0.000 2.811 565 D HA -0.221 4.430 4.640 0.018 0.000 0.231 565 D C 0.777 177.145 176.300 0.113 0.000 1.157 565 D CA 1.539 55.595 54.000 0.093 0.000 0.716 565 D CB -1.215 39.635 40.800 0.083 0.000 1.077 565 D HN 0.522 nan 8.370 nan 0.000 0.428 566 S N -1.896 113.841 115.700 0.063 0.000 2.315 566 S HA 0.076 4.557 4.470 0.018 0.000 0.211 566 S C 1.068 175.716 174.600 0.079 0.000 1.029 566 S CA 1.440 59.677 58.200 0.061 0.000 0.956 566 S CB 0.181 63.396 63.200 0.025 0.000 0.918 566 S HN 0.547 nan 8.310 nan 0.000 0.470 567 T N 0.227 114.781 114.554 0.000 0.000 2.919 567 T HA 0.721 5.082 4.350 0.018 0.000 0.282 567 T C -2.771 171.734 174.700 -0.324 0.000 1.020 567 T CA -1.779 60.279 62.100 -0.069 0.000 0.994 567 T CB 1.202 70.036 68.868 -0.056 0.000 1.180 567 T HN 0.239 nan 8.240 nan 0.000 0.566 568 P HA 0.581 nan 4.420 nan 0.000 0.301 568 P C -1.021 176.083 177.300 -0.326 0.000 1.309 568 P CA -0.781 61.884 63.100 -0.724 0.000 0.782 568 P CB 0.930 32.205 31.700 -0.709 0.000 1.282 569 I N -0.280 120.136 120.570 -0.257 0.000 2.785 569 I HA 0.349 4.530 4.170 0.018 0.000 0.302 569 I C -0.415 175.634 176.117 -0.115 0.000 1.069 569 I CA -0.820 60.414 61.300 -0.109 0.000 1.045 569 I CB 2.141 40.157 38.000 0.026 0.000 1.236 569 I HN 0.424 nan 8.210 nan 0.000 0.429 570 Q N 2.844 122.588 119.800 -0.092 0.000 2.271 570 Q HA 0.518 4.869 4.340 0.018 0.000 0.268 570 Q C -1.305 174.632 176.000 -0.106 0.000 1.021 570 Q CA -0.506 55.234 55.803 -0.104 0.000 0.802 570 Q CB 2.783 31.467 28.738 -0.089 0.000 1.282 570 Q HN 0.533 nan 8.270 nan 0.000 0.431 571 S N 1.269 116.884 115.700 -0.142 0.000 2.592 571 S HA 0.231 4.712 4.470 0.018 0.000 0.275 571 S C 0.100 174.624 174.600 -0.127 0.000 1.169 571 S CA -0.519 57.604 58.200 -0.128 0.000 0.958 571 S CB 1.134 64.248 63.200 -0.144 0.000 1.095 571 S HN 0.670 nan 8.310 nan 0.000 0.471 572 K N 2.765 123.112 120.400 -0.088 0.000 2.127 572 K HA -0.244 4.087 4.320 0.018 0.000 0.212 572 K C 2.115 178.667 176.600 -0.081 0.000 1.050 572 K CA 2.454 58.696 56.287 -0.075 0.000 0.929 572 K CB -0.303 32.165 32.500 -0.052 0.000 0.715 572 K HN 0.773 nan 8.250 nan 0.000 0.457 573 M N 0.731 120.283 119.600 -0.081 0.000 2.082 573 M HA -0.245 4.246 4.480 0.018 0.000 0.258 573 M C 1.866 178.126 176.300 -0.067 0.000 1.071 573 M CA 2.009 57.274 55.300 -0.058 0.000 1.103 573 M CB -0.183 32.389 32.600 -0.046 0.000 1.307 573 M HN 0.012 nan 8.290 nan 0.000 0.409 574 V N 0.113 119.915 119.914 -0.187 0.000 2.295 574 V HA -0.230 3.901 4.120 0.018 0.000 0.246 574 V C 2.410 178.383 176.094 -0.202 0.000 1.049 574 V CA 2.162 64.272 62.300 -0.316 0.000 1.024 574 V CB -1.238 30.185 31.823 -0.667 0.000 0.648 574 V HN 0.569 nan 8.190 nan 0.000 0.447 575 S N -0.546 115.053 115.700 -0.168 0.000 2.359 575 S HA -0.213 4.268 4.470 0.018 0.000 0.224 575 S C 2.131 176.681 174.600 -0.082 0.000 1.035 575 S CA 1.572 59.698 58.200 -0.123 0.000 1.018 575 S CB -0.380 62.754 63.200 -0.109 0.000 0.876 575 S HN 0.484 nan 8.310 nan 0.000 0.448 576 R N 0.878 121.341 120.500 -0.062 0.000 2.113 576 R HA -0.168 4.183 4.340 0.018 0.000 0.244 576 R C 2.519 178.812 176.300 -0.012 0.000 1.142 576 R CA 1.566 57.645 56.100 -0.034 0.000 0.953 576 R CB -0.594 29.691 30.300 -0.025 0.000 0.860 576 R HN 0.443 nan 8.270 nan 0.000 0.438 577 A N 0.321 123.152 122.820 0.018 0.000 1.969 577 A HA -0.079 4.252 4.320 0.018 0.000 0.218 577 A C 2.334 179.952 177.584 0.057 0.000 1.169 577 A CA 1.117 53.205 52.037 0.086 0.000 0.635 577 A CB -0.338 18.825 19.000 0.272 0.000 0.810 577 A HN 0.136 nan 8.150 nan 0.000 0.445 578 V N 0.381 120.291 119.914 -0.007 0.000 2.332 578 V HA -0.304 3.828 4.120 0.018 0.000 0.248 578 V C 2.428 178.505 176.094 -0.028 0.000 1.055 578 V CA 2.282 64.564 62.300 -0.031 0.000 1.038 578 V CB -0.850 30.922 31.823 -0.085 0.000 0.651 578 V HN 0.612 nan 8.190 nan 0.000 0.450 579 E N 0.065 120.243 120.200 -0.036 0.000 2.086 579 E HA -0.246 4.116 4.350 0.018 0.000 0.200 579 E C 2.435 179.025 176.600 -0.015 0.000 1.012 579 E CA 1.836 58.216 56.400 -0.033 0.000 0.812 579 E CB -0.296 29.383 29.700 -0.035 0.000 0.743 579 E HN 0.561 nan 8.360 nan 0.000 0.453 580 S N 0.725 116.424 115.700 -0.002 0.000 2.365 580 S HA -0.198 4.283 4.470 0.018 0.000 0.221 580 S C 2.213 176.818 174.600 0.007 0.000 1.037 580 S CA 1.547 59.749 58.200 0.003 0.000 1.060 580 S CB -0.337 62.870 63.200 0.013 0.000 0.974 580 S HN 0.212 nan 8.310 nan 0.000 0.427 581 S N 1.558 117.270 115.700 0.020 0.000 2.381 581 S HA -0.245 4.236 4.470 0.018 0.000 0.230 581 S C 2.008 176.616 174.600 0.013 0.000 1.052 581 S CA 1.375 59.589 58.200 0.023 0.000 1.068 581 S CB -0.612 62.609 63.200 0.035 0.000 0.918 581 S HN 0.486 nan 8.310 nan 0.000 0.448 582 Q N 0.625 120.426 119.800 0.001 0.000 2.014 582 Q HA -0.161 4.191 4.340 0.018 0.000 0.207 582 Q C 2.344 178.346 176.000 0.004 0.000 0.993 582 Q CA 1.113 56.916 55.803 -0.001 0.000 0.850 582 Q CB -0.294 28.432 28.738 -0.019 0.000 0.916 582 Q HN 0.300 nan 8.270 nan 0.000 0.417 583 K N 0.946 121.343 120.400 -0.004 0.000 2.097 583 K HA -0.096 4.235 4.320 0.018 0.000 0.206 583 K C 2.046 178.643 176.600 -0.005 0.000 1.049 583 K CA 1.009 57.291 56.287 -0.008 0.000 0.933 583 K CB -0.099 32.391 32.500 -0.017 0.000 0.717 583 K HN 0.131 nan 8.250 nan 0.000 0.442 584 R N -0.039 120.461 120.500 0.000 0.000 2.081 584 R HA -0.077 4.274 4.340 0.018 0.000 0.235 584 R C 2.298 178.609 176.300 0.017 0.000 1.131 584 R CA 1.086 57.189 56.100 0.005 0.000 0.960 584 R CB -0.226 30.079 30.300 0.008 0.000 0.856 584 R HN -0.041 nan 8.270 nan 0.000 0.436 585 V N 1.281 121.208 119.914 0.022 0.000 2.343 585 V HA -0.238 3.893 4.120 0.018 0.000 0.247 585 V C 1.940 178.057 176.094 0.039 0.000 1.051 585 V CA 1.810 64.129 62.300 0.032 0.000 1.036 585 V CB -0.419 31.424 31.823 0.034 0.000 0.654 585 V HN 0.372 nan 8.190 nan 0.000 0.451 586 E N 0.270 120.491 120.200 0.034 0.000 2.097 586 E HA -0.212 4.150 4.350 0.018 0.000 0.196 586 E C 2.293 178.932 176.600 0.065 0.000 1.000 586 E CA 1.314 57.740 56.400 0.043 0.000 0.804 586 E CB -0.555 29.159 29.700 0.023 0.000 0.740 586 E HN 0.669 nan 8.360 nan 0.000 0.454 587 G N 1.959 110.783 108.800 0.040 0.000 2.545 587 G HA2 -0.356 3.615 3.960 0.018 0.000 0.217 587 G HA3 -0.356 3.615 3.960 0.018 0.000 0.217 587 G C 1.311 176.277 174.900 0.111 0.000 1.218 587 G CA 1.106 46.235 45.100 0.049 0.000 0.787 587 G HN 0.198 nan 8.290 nan 0.000 0.571 588 N N 1.250 119.994 118.700 0.074 0.000 2.049 588 N HA -0.193 4.559 4.740 0.018 0.000 0.198 588 N C 2.029 177.584 175.510 0.076 0.000 1.030 588 N CA 1.627 54.717 53.050 0.068 0.000 0.870 588 N CB -0.379 38.135 38.487 0.045 0.000 1.045 588 N HN 0.259 nan 8.380 nan 0.000 0.434 589 N N 0.920 119.667 118.700 0.077 0.000 2.104 589 N HA -0.147 4.604 4.740 0.018 0.000 0.190 589 N C 1.653 177.206 175.510 0.072 0.000 1.024 589 N CA 0.651 53.738 53.050 0.062 0.000 0.853 589 N CB -0.752 37.772 38.487 0.061 0.000 1.008 589 N HN 0.292 nan 8.380 nan 0.000 0.424 590 F N 2.435 122.374 119.950 -0.018 0.000 2.095 590 F HA -0.193 4.344 4.527 0.017 0.000 0.298 590 F C 1.720 177.503 175.800 -0.027 0.000 1.104 590 F CA 1.509 59.493 58.000 -0.026 0.000 1.232 590 F CB -0.121 38.861 39.000 -0.030 0.000 0.987 590 F HN -0.095 nan 8.300 nan 0.000 0.475 591 D N -0.042 120.483 120.400 0.208 0.000 2.104 591 D HA -0.168 4.483 4.640 0.018 0.000 0.194 591 D C 2.460 178.716 176.300 -0.073 0.000 0.994 591 D CA 1.767 55.824 54.000 0.094 0.000 0.830 591 D CB -0.685 40.194 40.800 0.131 0.000 0.959 591 D HN 0.283 nan 8.370 nan 0.000 0.452 592 S N 0.385 116.048 115.700 -0.062 0.000 2.399 592 S HA -0.169 4.312 4.470 0.018 0.000 0.231 592 S C 1.889 176.389 174.600 -0.167 0.000 1.022 592 S CA 1.110 59.248 58.200 -0.104 0.000 0.983 592 S CB -0.083 63.082 63.200 -0.057 0.000 0.803 592 S HN 0.416 nan 8.310 nan 0.000 0.480 593 R N 1.529 121.920 120.500 -0.182 0.000 2.161 593 R HA 0.182 4.534 4.340 0.018 0.000 0.213 593 R C 2.097 178.226 176.300 -0.285 0.000 1.055 593 R CA 1.000 56.978 56.100 -0.202 0.000 0.996 593 R CB -0.245 29.965 30.300 -0.150 0.000 0.901 593 R HN 0.194 nan 8.270 nan 0.000 0.456 594 K N 1.541 121.691 120.400 -0.417 0.000 2.026 594 K HA -0.250 4.081 4.320 0.018 0.000 0.208 594 K C 2.341 178.814 176.600 -0.212 0.000 1.048 594 K CA 2.139 58.196 56.287 -0.384 0.000 0.929 594 K CB -0.069 32.175 32.500 -0.427 0.000 0.713 594 K HN 0.524 nan 8.250 nan 0.000 0.439 595 Q N 0.477 120.148 119.800 -0.215 0.000 2.084 595 Q HA -0.198 4.153 4.340 0.018 0.000 0.202 595 Q C 2.141 177.902 176.000 -0.398 0.000 0.978 595 Q CA 1.332 56.981 55.803 -0.256 0.000 0.844 595 Q CB -0.401 28.136 28.738 -0.335 0.000 0.898 595 Q HN 0.238 nan 8.270 nan 0.000 0.426 596 L N 0.777 121.776 121.223 -0.374 0.000 1.994 596 L HA -0.142 4.209 4.340 0.018 0.000 0.208 596 L C 2.272 179.073 176.870 -0.116 0.000 1.071 596 L CA 1.617 56.274 54.840 -0.304 0.000 0.745 596 L CB -1.020 40.921 42.059 -0.197 0.000 0.892 596 L HN 0.436 nan 8.230 nan 0.000 0.431 597 L N -0.337 120.829 121.223 -0.095 0.000 2.051 597 L HA -0.295 4.056 4.340 0.018 0.000 0.214 597 L C 2.496 179.378 176.870 0.020 0.000 1.076 597 L CA 1.940 56.759 54.840 -0.035 0.000 0.758 597 L CB -0.747 41.267 42.059 -0.075 0.000 0.890 597 L HN 0.496 nan 8.230 nan 0.000 0.433 598 Q N -2.431 117.389 119.800 0.033 0.000 2.230 598 Q HA -0.184 4.167 4.340 0.018 0.000 0.202 598 Q C 1.991 178.145 176.000 0.258 0.000 0.963 598 Q CA 1.353 57.232 55.803 0.127 0.000 0.866 598 Q CB -0.131 28.687 28.738 0.133 0.000 0.931 598 Q HN 0.509 nan 8.270 nan 0.000 0.452 599 Y N 0.592 120.862 120.300 -0.050 0.000 2.176 599 Y HA -0.134 4.427 4.550 0.019 0.000 0.291 599 Y C 1.944 177.883 175.900 0.066 0.000 1.122 599 Y CA 0.799 58.868 58.100 -0.051 0.000 1.128 599 Y CB -0.521 37.768 38.460 -0.285 0.000 1.005 599 Y HN 0.094 nan 8.280 nan 0.000 0.509 600 D N -0.131 120.384 120.400 0.190 0.000 2.182 600 D HA -0.173 4.478 4.640 0.018 0.000 0.201 600 D C 1.779 178.133 176.300 0.091 0.000 0.986 600 D CA 1.353 55.422 54.000 0.114 0.000 0.847 600 D CB -0.115 40.724 40.800 0.065 0.000 0.942 600 D HN 0.238 nan 8.370 nan 0.000 0.467 601 D N -0.671 119.784 120.400 0.093 0.000 2.123 601 D HA -0.134 4.517 4.640 0.018 0.000 0.196 601 D C 2.123 178.465 176.300 0.070 0.000 0.992 601 D CA 0.851 54.897 54.000 0.075 0.000 0.833 601 D CB 0.238 41.084 40.800 0.077 0.000 0.954 601 D HN 0.151 nan 8.370 nan 0.000 0.455 602 V N 0.979 120.933 119.914 0.067 0.000 2.343 602 V HA -0.235 3.896 4.120 0.018 0.000 0.247 602 V C 2.568 178.587 176.094 -0.125 0.000 1.051 602 V CA 1.086 63.359 62.300 -0.044 0.000 1.036 602 V CB -0.441 31.291 31.823 -0.152 0.000 0.654 602 V HN 0.100 nan 8.190 nan 0.000 0.451 603 L N -0.082 121.118 121.223 -0.039 0.000 2.046 603 L HA -0.121 4.230 4.340 0.018 0.000 0.208 603 L C 2.620 179.491 176.870 0.001 0.000 1.077 603 L CA 2.008 56.839 54.840 -0.015 0.000 0.747 603 L CB -0.893 41.200 42.059 0.056 0.000 0.896 603 L HN 0.264 nan 8.230 nan 0.000 0.432 604 R N -0.232 120.281 120.500 0.022 0.000 2.115 604 R HA -0.288 4.064 4.340 0.018 0.000 0.239 604 R C 2.356 178.647 176.300 -0.014 0.000 1.133 604 R CA 2.334 58.444 56.100 0.017 0.000 0.935 604 R CB -0.440 29.880 30.300 0.034 0.000 0.853 604 R HN 0.506 nan 8.270 nan 0.000 0.433 605 Q N 0.135 119.937 119.800 0.004 0.000 2.079 605 Q HA -0.242 4.109 4.340 0.018 0.000 0.200 605 Q C 2.167 178.136 176.000 -0.052 0.000 0.974 605 Q CA 1.803 57.612 55.803 0.009 0.000 0.840 605 Q CB -0.062 28.724 28.738 0.079 0.000 0.898 605 Q HN 0.538 nan 8.270 nan 0.000 0.430 606 Q N 0.274 119.997 119.800 -0.128 0.000 2.077 606 Q HA -0.237 4.114 4.340 0.018 0.000 0.206 606 Q C 2.258 178.081 176.000 -0.295 0.000 0.989 606 Q CA 2.456 58.007 55.803 -0.419 0.000 0.853 606 Q CB -0.068 28.305 28.738 -0.609 0.000 0.907 606 Q HN 0.460 nan 8.270 nan 0.000 0.418 607 R N -0.418 119.979 120.500 -0.173 0.000 2.093 607 R HA -0.066 4.285 4.340 0.018 0.000 0.224 607 R C 1.672 177.663 176.300 -0.516 0.000 1.101 607 R CA 1.238 57.139 56.100 -0.331 0.000 0.979 607 R CB -0.296 29.913 30.300 -0.152 0.000 0.877 607 R HN 0.126 nan 8.270 nan 0.000 0.441 608 E N 1.293 121.338 120.200 -0.259 0.000 2.118 608 E HA -0.128 4.233 4.350 0.018 0.000 0.195 608 E C 2.239 178.810 176.600 -0.048 0.000 0.992 608 E CA 1.292 57.629 56.400 -0.106 0.000 0.804 608 E CB -0.291 29.400 29.700 -0.015 0.000 0.741 608 E HN 0.239 nan 8.360 nan 0.000 0.458 609 V N 1.744 121.618 119.914 -0.067 0.000 2.255 609 V HA -0.261 3.870 4.120 0.018 0.000 0.247 609 V C 2.343 178.415 176.094 -0.036 0.000 1.051 609 V CA 1.489 63.780 62.300 -0.015 0.000 1.018 609 V CB -0.373 31.480 31.823 0.051 0.000 0.641 609 V HN 0.183 nan 8.190 nan 0.000 0.445 610 I N -1.162 119.313 120.570 -0.158 0.000 2.233 610 I HA -0.160 4.021 4.170 0.018 0.000 0.243 610 I C 2.355 178.436 176.117 -0.060 0.000 1.093 610 I CA 1.210 62.354 61.300 -0.259 0.000 1.380 610 I CB -1.495 36.055 38.000 -0.749 0.000 1.067 610 I HN 0.344 nan 8.210 nan 0.000 0.413 611 Y N 1.538 121.748 120.300 -0.150 0.000 2.030 611 Y HA -0.373 4.188 4.550 0.018 0.000 0.272 611 Y C 2.739 178.841 175.900 0.337 0.000 1.185 611 Y CA 1.264 59.453 58.100 0.149 0.000 1.120 611 Y CB -0.453 38.144 38.460 0.228 0.000 0.955 611 Y HN 0.161 nan 8.280 nan 0.000 0.495 612 K N 0.078 120.680 120.400 0.336 0.000 2.113 612 K HA -0.292 4.039 4.320 0.018 0.000 0.208 612 K C 2.086 178.790 176.600 0.173 0.000 1.047 612 K CA 1.768 58.183 56.287 0.213 0.000 0.928 612 K CB -0.301 32.255 32.500 0.093 0.000 0.716 612 K HN 0.480 nan 8.250 nan 0.000 0.446 613 Q N 0.440 120.294 119.800 0.089 0.000 2.096 613 Q HA -0.071 4.280 4.340 0.018 0.000 0.197 613 Q C 2.098 178.089 176.000 -0.014 0.000 0.964 613 Q CA 0.795 56.607 55.803 0.014 0.000 0.838 613 Q CB 0.223 28.934 28.738 -0.045 0.000 0.906 613 Q HN 0.204 nan 8.270 nan 0.000 0.444 614 R N -0.369 120.095 120.500 -0.061 0.000 2.097 614 R HA -0.169 4.182 4.340 0.018 0.000 0.236 614 R C 2.132 178.312 176.300 -0.199 0.000 1.135 614 R CA 1.945 57.926 56.100 -0.199 0.000 0.934 614 R CB -0.477 29.599 30.300 -0.373 0.000 0.846 614 R HN 0.260 nan 8.270 nan 0.000 0.431 615 F N 0.741 120.653 119.950 -0.063 0.000 2.192 615 F HA -0.215 4.323 4.527 0.018 0.000 0.301 615 F C 2.451 178.228 175.800 -0.038 0.000 1.079 615 F CA 1.287 59.254 58.000 -0.054 0.000 1.303 615 F CB -0.269 38.702 39.000 -0.049 0.000 1.024 615 F HN 0.098 nan 8.300 nan 0.000 0.494 616 E N 0.354 120.631 120.200 0.129 0.000 2.107 616 E HA -0.094 4.267 4.350 0.018 0.000 0.191 616 E C 2.140 178.754 176.600 0.023 0.000 0.982 616 E CA 0.721 57.161 56.400 0.066 0.000 0.809 616 E CB -0.246 29.480 29.700 0.044 0.000 0.756 616 E HN 0.157 nan 8.360 nan 0.000 0.459 617 V N 0.660 120.568 119.914 -0.011 0.000 2.759 617 V HA -0.171 3.960 4.120 0.018 0.000 0.256 617 V C 2.124 178.205 176.094 -0.023 0.000 1.080 617 V CA 1.256 63.538 62.300 -0.030 0.000 1.101 617 V CB -0.365 31.419 31.823 -0.065 0.000 0.698 617 V HN 0.312 nan 8.190 nan 0.000 0.477 618 I N -0.007 120.546 120.570 -0.028 0.000 2.500 618 I HA -0.072 4.109 4.170 0.018 0.000 0.252 618 I C 0.682 176.818 176.117 0.032 0.000 1.142 618 I CA 0.975 62.264 61.300 -0.018 0.000 1.451 618 I CB -0.081 37.887 38.000 -0.053 0.000 1.093 618 I HN 0.308 nan 8.210 nan 0.000 0.430 619 D N 0.440 120.869 120.400 0.048 0.000 3.168 619 D HA 0.055 4.706 4.640 0.018 0.000 0.255 619 D C 1.043 177.369 176.300 0.043 0.000 1.314 619 D CA 0.169 54.201 54.000 0.052 0.000 0.900 619 D CB 0.190 41.024 40.800 0.058 0.000 1.072 619 D HN 0.175 nan 8.370 nan 0.000 0.487 620 S N -1.204 114.522 115.700 0.043 0.000 2.583 620 S HA 0.122 4.603 4.470 0.018 0.000 0.239 620 S C 0.977 175.615 174.600 0.063 0.000 0.966 620 S CA -0.416 57.812 58.200 0.047 0.000 0.973 620 S CB 0.204 63.434 63.200 0.049 0.000 0.794 620 S HN 0.192 nan 8.310 nan 0.000 0.463 621 E N 1.351 121.586 120.200 0.060 0.000 2.244 621 E HA 0.112 4.473 4.350 0.018 0.000 0.196 621 E C 1.143 177.777 176.600 0.057 0.000 0.939 621 E CA 0.063 56.503 56.400 0.065 0.000 0.884 621 E CB -0.073 29.661 29.700 0.058 0.000 0.850 621 E HN 0.397 nan 8.360 nan 0.000 0.481 622 N N 1.111 119.838 118.700 0.045 0.000 2.333 622 N HA 0.006 4.757 4.740 0.018 0.000 0.178 622 N C 1.813 177.345 175.510 0.037 0.000 1.018 622 N CA 0.691 53.765 53.050 0.039 0.000 0.882 622 N CB 0.203 38.708 38.487 0.031 0.000 0.984 622 N HN 0.128 nan 8.380 nan 0.000 0.434 623 L N 0.446 121.689 121.223 0.034 0.000 2.554 623 L HA 0.190 4.541 4.340 0.018 0.000 0.226 623 L C 0.729 177.619 176.870 0.033 0.000 1.137 623 L CA 0.002 54.858 54.840 0.028 0.000 0.863 623 L CB -0.115 41.956 42.059 0.019 0.000 0.985 623 L HN 0.162 nan 8.230 nan 0.000 0.451 624 R N 1.579 122.108 120.500 0.048 0.000 3.332 624 R HA -0.198 4.153 4.340 0.018 0.000 0.263 624 R C 0.988 177.302 176.300 0.024 0.000 1.053 624 R CA 0.856 56.992 56.100 0.061 0.000 0.705 624 R CB -1.127 29.219 30.300 0.077 0.000 1.166 624 R HN 0.700 nan 8.270 nan 0.000 0.427 625 E N -0.356 119.854 120.200 0.017 0.000 2.442 625 E HA -0.094 4.267 4.350 0.018 0.000 0.195 625 E C 1.709 178.284 176.600 -0.040 0.000 1.030 625 E CA 0.637 57.028 56.400 -0.015 0.000 0.869 625 E CB -0.031 29.663 29.700 -0.011 0.000 0.857 625 E HN 0.664 nan 8.360 nan 0.000 0.505 626 I N 1.098 121.665 120.570 -0.005 0.000 2.439 626 I HA -0.207 3.974 4.170 0.018 0.000 0.251 626 I C 2.056 178.010 176.117 -0.272 0.000 1.139 626 I CA 0.623 61.900 61.300 -0.038 0.000 1.438 626 I CB 0.283 38.376 38.000 0.154 0.000 1.085 626 I HN -0.022 nan 8.210 nan 0.000 0.427 627 V N 0.596 120.348 119.914 -0.269 0.000 2.453 627 V HA -0.247 3.884 4.120 0.018 0.000 0.247 627 V C 2.323 178.197 176.094 -0.366 0.000 1.048 627 V CA 2.025 64.047 62.300 -0.464 0.000 1.049 627 V CB -0.622 31.107 31.823 -0.157 0.000 0.672 627 V HN 0.531 nan 8.190 nan 0.000 0.457 628 E N 0.584 120.666 120.200 -0.198 0.000 2.150 628 E HA -0.210 4.151 4.350 0.018 0.000 0.193 628 E C 1.944 178.450 176.600 -0.156 0.000 0.985 628 E CA 1.578 57.891 56.400 -0.145 0.000 0.814 628 E CB -0.074 29.579 29.700 -0.077 0.000 0.752 628 E HN 0.599 nan 8.360 nan 0.000 0.466 629 N N 0.756 119.357 118.700 -0.165 0.000 2.251 629 N HA -0.110 4.641 4.740 0.018 0.000 0.181 629 N C 1.967 177.361 175.510 -0.193 0.000 1.019 629 N CA 1.458 54.418 53.050 -0.149 0.000 0.862 629 N CB -0.433 37.982 38.487 -0.120 0.000 0.992 629 N HN 0.410 nan 8.380 nan 0.000 0.429 630 M N 0.584 120.012 119.600 -0.287 0.000 2.213 630 M HA -0.068 4.423 4.480 0.018 0.000 0.263 630 M C 1.354 177.468 176.300 -0.309 0.000 1.062 630 M CA 1.349 56.444 55.300 -0.342 0.000 1.105 630 M CB -0.110 32.123 32.600 -0.611 0.000 1.385 630 M HN -0.067 nan 8.290 nan 0.000 0.417 631 I N 0.783 121.156 120.570 -0.328 0.000 2.252 631 I HA -0.217 3.964 4.170 0.018 0.000 0.245 631 I C 2.211 178.225 176.117 -0.172 0.000 1.102 631 I CA 1.158 62.295 61.300 -0.270 0.000 1.385 631 I CB -1.169 36.675 38.000 -0.261 0.000 1.064 631 I HN 0.297 nan 8.210 nan 0.000 0.414 632 K N 1.298 121.611 120.400 -0.145 0.000 2.002 632 K HA -0.055 4.276 4.320 0.018 0.000 0.209 632 K C 2.297 178.841 176.600 -0.094 0.000 1.048 632 K CA 1.210 57.435 56.287 -0.104 0.000 0.930 632 K CB -0.933 31.514 32.500 -0.089 0.000 0.714 632 K HN 0.149 nan 8.250 nan 0.000 0.438 633 S N 1.125 116.763 115.700 -0.103 0.000 2.387 633 S HA -0.125 4.356 4.470 0.018 0.000 0.230 633 S C 2.040 176.605 174.600 -0.057 0.000 1.035 633 S CA 1.650 59.804 58.200 -0.077 0.000 1.014 633 S CB -0.266 62.885 63.200 -0.082 0.000 0.836 633 S HN 0.305 nan 8.310 nan 0.000 0.466 634 S N 1.615 117.265 115.700 -0.084 0.000 2.355 634 S HA 0.020 4.501 4.470 0.018 0.000 0.222 634 S C 1.742 176.270 174.600 -0.121 0.000 1.031 634 S CA 0.668 58.815 58.200 -0.088 0.000 0.993 634 S CB -0.455 62.669 63.200 -0.128 0.000 0.859 634 S HN 0.317 nan 8.310 nan 0.000 0.453 635 L N 2.085 123.247 121.223 -0.102 0.000 2.201 635 L HA 0.057 4.408 4.340 0.018 0.000 0.212 635 L C 2.089 178.935 176.870 -0.040 0.000 1.105 635 L CA 1.606 56.402 54.840 -0.074 0.000 0.775 635 L CB -0.947 41.074 42.059 -0.065 0.000 0.913 635 L HN 0.128 nan 8.230 nan 0.000 0.440 636 E N -0.561 119.616 120.200 -0.038 0.000 2.017 636 E HA -0.223 4.138 4.350 0.018 0.000 0.193 636 E C 2.315 178.917 176.600 0.003 0.000 0.997 636 E CA 0.982 57.373 56.400 -0.016 0.000 0.804 636 E CB -0.135 29.551 29.700 -0.022 0.000 0.757 636 E HN 0.101 nan 8.360 nan 0.000 0.448 637 R N 0.379 120.884 120.500 0.009 0.000 2.103 637 R HA -0.109 4.242 4.340 0.018 0.000 0.242 637 R C 1.975 178.289 176.300 0.023 0.000 1.142 637 R CA 1.632 57.772 56.100 0.066 0.000 0.960 637 R CB -1.197 29.214 30.300 0.185 0.000 0.858 637 R HN 0.285 nan 8.270 nan 0.000 0.439 638 A N 0.537 123.298 122.820 -0.099 0.000 1.828 638 A HA -0.145 4.186 4.320 0.018 0.000 0.215 638 A C 2.351 179.984 177.584 0.082 0.000 1.203 638 A CA 1.551 53.502 52.037 -0.143 0.000 0.614 638 A CB -0.982 17.978 19.000 -0.066 0.000 0.844 638 A HN 0.384 nan 8.150 nan 0.000 0.445 639 I N -0.578 120.082 120.570 0.149 0.000 2.300 639 I HA -0.349 3.832 4.170 0.018 0.000 0.252 639 I C 2.576 178.766 176.117 0.122 0.000 1.119 639 I CA 1.530 62.926 61.300 0.159 0.000 1.384 639 I CB -0.139 37.905 38.000 0.073 0.000 1.062 639 I HN 0.391 nan 8.210 nan 0.000 0.426 640 A N 0.269 123.132 122.820 0.073 0.000 1.874 640 A HA -0.021 4.310 4.320 0.018 0.000 0.214 640 A C 2.453 180.074 177.584 0.062 0.000 1.189 640 A CA 1.312 53.386 52.037 0.062 0.000 0.615 640 A CB -0.872 18.156 19.000 0.046 0.000 0.830 640 A HN 0.515 nan 8.150 nan 0.000 0.443 641 A N -1.558 121.274 122.820 0.021 0.000 1.969 641 A HA -0.064 4.268 4.320 0.018 0.000 0.218 641 A C 2.081 179.645 177.584 -0.033 0.000 1.169 641 A CA 1.394 53.413 52.037 -0.030 0.000 0.635 641 A CB -0.751 18.192 19.000 -0.096 0.000 0.810 641 A HN 0.635 nan 8.150 nan 0.000 0.445 642 Y N -0.087 120.243 120.300 0.050 0.000 2.184 642 Y HA -0.132 4.429 4.550 0.019 0.000 0.290 642 Y C 2.742 178.666 175.900 0.041 0.000 1.129 642 Y CA 1.575 59.700 58.100 0.042 0.000 1.144 642 Y CB -0.124 38.350 38.460 0.023 0.000 0.995 642 Y HN 0.265 nan 8.280 nan 0.000 0.513 643 T N 0.823 115.501 114.554 0.206 0.000 3.085 643 T HA -0.019 4.342 4.350 0.018 0.000 0.263 643 T C -1.133 173.632 174.700 0.108 0.000 1.127 643 T CA 0.446 62.624 62.100 0.130 0.000 1.103 643 T CB -0.744 68.180 68.868 0.093 0.000 0.921 643 T HN 0.336 nan 8.240 nan 0.000 0.510 644 P HA 0.089 nan 4.420 nan 0.000 0.220 644 P C 0.998 178.365 177.300 0.111 0.000 1.154 644 P CA 0.615 63.778 63.100 0.104 0.000 0.830 644 P CB 0.150 31.913 31.700 0.105 0.000 0.803 645 R N 0.987 121.559 120.500 0.120 0.000 2.541 645 R HA 0.163 4.514 4.340 0.018 0.000 0.245 645 R C -0.172 176.207 176.300 0.131 0.000 1.154 645 R CA 0.426 56.600 56.100 0.124 0.000 1.179 645 R CB -0.400 29.970 30.300 0.117 0.000 1.189 645 R HN 0.435 nan 8.270 nan 0.000 0.526 646 E N 0.355 120.630 120.200 0.125 0.000 2.721 646 E HA 0.023 4.384 4.350 0.018 0.000 0.392 646 E C -1.149 175.514 176.600 0.106 0.000 1.068 646 E CA -0.218 56.252 56.400 0.116 0.000 0.744 646 E CB 1.018 30.768 29.700 0.083 0.000 1.593 646 E HN 0.028 nan 8.360 nan 0.000 0.382 647 E N 1.579 121.847 120.200 0.112 0.000 2.602 647 E HA 0.268 4.629 4.350 0.018 0.000 0.255 647 E C 0.463 177.115 176.600 0.086 0.000 1.268 647 E CA -0.323 56.130 56.400 0.088 0.000 1.007 647 E CB 0.793 30.540 29.700 0.077 0.000 1.208 647 E HN 0.401 nan 8.360 nan 0.000 0.584 648 L N 0.960 122.220 121.223 0.062 0.000 2.395 648 L HA 0.060 4.411 4.340 0.018 0.000 0.218 648 L C -0.934 175.964 176.870 0.046 0.000 1.130 648 L CA 0.110 54.982 54.840 0.053 0.000 0.826 648 L CB -0.789 41.290 42.059 0.034 0.000 0.941 648 L HN 0.570 nan 8.230 nan 0.000 0.451 649 P HA -0.053 nan 4.420 nan 0.000 0.214 649 P C -0.235 177.074 177.300 0.015 0.000 1.162 649 P CA 1.069 64.173 63.100 0.007 0.000 0.874 649 P CB 0.260 31.959 31.700 -0.002 0.000 0.784 650 E N -1.133 119.124 120.200 0.096 0.000 2.321 650 E HA 0.151 4.512 4.350 0.018 0.000 0.278 650 E C -0.989 175.862 176.600 0.417 0.000 0.902 650 E CA -0.425 56.142 56.400 0.279 0.000 0.758 650 E CB 1.740 31.487 29.700 0.079 0.000 1.213 650 E HN 0.088 nan 8.360 nan 0.000 0.426 651 E N 2.809 123.325 120.200 0.527 0.000 2.148 651 E HA 0.067 4.428 4.350 0.018 0.000 0.308 651 E C -0.788 175.863 176.600 0.086 0.000 1.278 651 E CA 0.108 56.623 56.400 0.192 0.000 1.368 651 E CB 0.401 30.073 29.700 -0.048 0.000 1.229 651 E HN 0.218 nan 8.360 nan 0.000 0.494 652 W N 1.366 122.677 121.300 0.019 0.000 2.882 652 W HA 0.147 4.818 4.660 0.018 0.000 0.345 652 W C -0.027 176.523 176.519 0.052 0.000 1.125 652 W CA -1.097 56.264 57.345 0.027 0.000 1.167 652 W CB 1.564 31.035 29.460 0.018 0.000 1.431 652 W HN 0.234 nan 8.180 nan 0.000 0.543 653 K N 0.531 121.067 120.400 0.228 0.000 3.939 653 K HA -0.272 4.059 4.320 0.018 0.000 0.281 653 K C -1.092 175.579 176.600 0.119 0.000 0.981 653 K CA 0.251 56.643 56.287 0.174 0.000 0.833 653 K CB -2.005 30.613 32.500 0.196 0.000 1.501 653 K HN 0.286 nan 8.250 nan 0.000 0.445 654 L N 1.867 123.143 121.223 0.089 0.000 2.515 654 L HA 0.274 4.625 4.340 0.018 0.000 0.281 654 L C 0.119 177.029 176.870 0.065 0.000 1.131 654 L CA 0.769 55.667 54.840 0.097 0.000 0.905 654 L CB 0.576 42.736 42.059 0.168 0.000 1.246 654 L HN 0.603 nan 8.230 nan 0.000 0.463 655 D N 2.092 122.514 120.400 0.036 0.000 2.017 655 D HA 0.125 4.776 4.640 0.018 0.000 0.336 655 D C 1.471 177.671 176.300 -0.166 0.000 1.104 655 D CA 0.857 54.863 54.000 0.010 0.000 0.965 655 D CB 0.616 41.480 40.800 0.106 0.000 1.864 655 D HN 0.579 nan 8.370 nan 0.000 0.538 656 G N 1.295 109.959 108.800 -0.227 0.000 2.426 656 G HA2 -0.104 3.867 3.960 0.018 0.000 0.214 656 G HA3 -0.104 3.867 3.960 0.018 0.000 0.214 656 G C 1.529 176.181 174.900 -0.412 0.000 1.156 656 G CA 0.317 44.975 45.100 -0.737 0.000 0.802 656 G HN 0.158 nan 8.290 nan 0.000 0.534 657 L N 1.035 122.166 121.223 -0.152 0.000 2.127 657 L HA -0.034 4.317 4.340 0.018 0.000 0.211 657 L C 2.855 179.668 176.870 -0.095 0.000 1.089 657 L CA 1.144 55.937 54.840 -0.079 0.000 0.757 657 L CB -0.326 41.759 42.059 0.043 0.000 0.899 657 L HN 0.091 nan 8.230 nan 0.000 0.434 658 V N -0.349 119.496 119.914 -0.116 0.000 2.229 658 V HA -0.305 3.826 4.120 0.018 0.000 0.243 658 V C 2.394 178.399 176.094 -0.149 0.000 1.042 658 V CA 2.004 64.241 62.300 -0.105 0.000 1.000 658 V CB -0.760 31.012 31.823 -0.085 0.000 0.637 658 V HN 0.584 nan 8.190 nan 0.000 0.446 659 D N 0.380 120.615 120.400 -0.275 0.000 2.137 659 D HA -0.257 4.394 4.640 0.018 0.000 0.189 659 D C 2.266 178.452 176.300 -0.190 0.000 0.998 659 D CA 2.555 56.393 54.000 -0.270 0.000 0.839 659 D CB -0.313 40.168 40.800 -0.533 0.000 0.962 659 D HN 0.339 nan 8.370 nan 0.000 0.446 660 L N 0.676 121.765 121.223 -0.222 0.000 2.056 660 L HA -0.323 4.028 4.340 0.018 0.000 0.237 660 L C 2.679 179.490 176.870 -0.098 0.000 1.106 660 L CA 2.845 57.597 54.840 -0.146 0.000 0.829 660 L CB -0.924 41.065 42.059 -0.118 0.000 0.924 660 L HN 0.212 nan 8.230 nan 0.000 0.447 661 I N 0.788 121.348 120.570 -0.016 0.000 2.145 661 I HA -0.393 3.788 4.170 0.018 0.000 0.244 661 I C 2.531 178.687 176.117 0.066 0.000 1.075 661 I CA 2.207 63.580 61.300 0.121 0.000 1.332 661 I CB -0.947 37.090 38.000 0.061 0.000 1.033 661 I HN 0.686 nan 8.210 nan 0.000 0.410 662 N N 0.652 119.343 118.700 -0.015 0.000 2.080 662 N HA -0.151 4.600 4.740 0.018 0.000 0.189 662 N C 1.497 176.975 175.510 -0.054 0.000 1.036 662 N CA 2.099 55.136 53.050 -0.022 0.000 0.846 662 N CB -0.834 37.637 38.487 -0.027 0.000 1.015 662 N HN 0.386 nan 8.380 nan 0.000 0.423 663 T N -3.158 111.344 114.554 -0.088 0.000 3.188 663 T HA 0.238 4.599 4.350 0.018 0.000 0.250 663 T C 1.113 175.702 174.700 -0.184 0.000 1.077 663 T CA 0.171 62.206 62.100 -0.108 0.000 0.967 663 T CB 0.376 69.198 68.868 -0.076 0.000 1.006 663 T HN 0.201 nan 8.240 nan 0.000 0.552 664 T N -0.263 114.121 114.554 -0.285 0.000 3.085 664 T HA 0.268 4.629 4.350 0.018 0.000 0.241 664 T C 0.852 175.193 174.700 -0.598 0.000 0.988 664 T CA 0.145 61.911 62.100 -0.558 0.000 1.117 664 T CB -0.010 68.293 68.868 -0.942 0.000 0.978 664 T HN 0.473 nan 8.240 nan 0.000 0.454 665 Y N 1.354 121.627 120.300 -0.045 0.000 2.583 665 Y HA 0.530 5.091 4.550 0.018 0.000 0.270 665 Y C 0.752 176.641 175.900 -0.018 0.000 1.113 665 Y CA -0.731 57.351 58.100 -0.029 0.000 1.307 665 Y CB 0.393 38.835 38.460 -0.030 0.000 1.369 665 Y HN -0.001 nan 8.280 nan 0.000 0.506 666 L N -0.699 120.614 121.223 0.149 0.000 2.381 666 L HA 0.617 4.968 4.340 0.018 0.000 0.268 666 L C -1.347 175.546 176.870 0.038 0.000 0.997 666 L CA -1.171 53.720 54.840 0.084 0.000 0.818 666 L CB 1.772 43.883 42.059 0.086 0.000 1.310 666 L HN 0.042 nan 8.230 nan 0.000 0.416 667 D N 2.201 122.617 120.400 0.026 0.000 2.515 667 D HA -0.141 4.510 4.640 0.018 0.000 0.230 667 D C 1.216 177.519 176.300 0.005 0.000 1.181 667 D CA 0.822 54.829 54.000 0.011 0.000 0.875 667 D CB 0.766 41.575 40.800 0.014 0.000 1.213 667 D HN 0.916 nan 8.370 nan 0.000 0.478 668 E N 1.462 121.661 120.200 -0.003 0.000 2.639 668 E HA -0.342 4.019 4.350 0.018 0.000 0.252 668 E C 1.379 177.974 176.600 -0.008 0.000 1.088 668 E CA 2.104 58.501 56.400 -0.006 0.000 1.348 668 E CB -0.642 29.055 29.700 -0.003 0.000 1.203 668 E HN 0.646 nan 8.360 nan 0.000 0.460 669 G N -0.414 108.383 108.800 -0.005 0.000 3.286 669 G HA2 0.167 4.138 3.960 0.018 0.000 0.213 669 G HA3 0.167 4.138 3.960 0.018 0.000 0.213 669 G C 0.815 175.707 174.900 -0.012 0.000 1.274 669 G CA 0.431 45.525 45.100 -0.010 0.000 1.218 669 G HN 0.435 nan 8.290 nan 0.000 0.504 670 A N -0.424 122.389 122.820 -0.012 0.000 2.276 670 A HA 0.504 4.835 4.320 0.018 0.000 0.212 670 A C 0.391 177.952 177.584 -0.039 0.000 1.230 670 A CA -0.018 52.011 52.037 -0.012 0.000 0.844 670 A CB 0.050 19.050 19.000 -0.001 0.000 0.860 670 A HN 0.361 nan 8.150 nan 0.000 0.486 671 L N -0.149 121.046 121.223 -0.048 0.000 2.329 671 L HA 0.669 5.020 4.340 0.018 0.000 0.279 671 L C -0.460 176.354 176.870 -0.093 0.000 1.014 671 L CA -0.270 54.526 54.840 -0.074 0.000 0.814 671 L CB 1.437 43.463 42.059 -0.055 0.000 1.257 671 L HN 0.314 nan 8.230 nan 0.000 0.424 672 E N 2.950 123.059 120.200 -0.151 0.000 2.388 672 E HA 0.228 4.589 4.350 0.018 0.000 0.282 672 E C -1.034 175.398 176.600 -0.280 0.000 1.026 672 E CA -0.846 55.449 56.400 -0.175 0.000 0.820 672 E CB 1.699 31.292 29.700 -0.179 0.000 1.226 672 E HN 0.543 nan 8.360 nan 0.000 0.432 673 K N 0.581 120.855 120.400 -0.210 0.000 3.602 673 K HA -0.259 4.072 4.320 0.018 0.000 0.274 673 K C 0.686 177.160 176.600 -0.209 0.000 0.864 673 K CA 0.927 57.102 56.287 -0.187 0.000 0.682 673 K CB -2.050 30.321 32.500 -0.215 0.000 1.576 673 K HN 0.690 nan 8.250 nan 0.000 0.447 674 S N 0.049 115.683 115.700 -0.110 0.000 2.451 674 S HA -0.320 4.162 4.470 0.018 0.000 0.272 674 S C 0.763 175.343 174.600 -0.034 0.000 1.136 674 S CA 1.907 60.062 58.200 -0.075 0.000 1.209 674 S CB -0.653 62.535 63.200 -0.021 0.000 1.130 674 S HN 0.889 nan 8.310 nan 0.000 0.440 675 D N -0.926 119.517 120.400 0.071 0.000 2.622 675 D HA 0.402 5.053 4.640 0.018 0.000 0.255 675 D C -0.199 176.233 176.300 0.219 0.000 1.246 675 D CA -0.673 53.447 54.000 0.200 0.000 0.795 675 D CB 0.336 41.202 40.800 0.109 0.000 1.369 675 D HN 0.372 nan 8.370 nan 0.000 0.425 676 I N 0.099 120.723 120.570 0.090 0.000 6.341 676 I HA -0.301 3.880 4.170 0.018 0.000 0.126 676 I C -0.206 175.862 176.117 -0.081 0.000 1.823 676 I CA 0.390 61.578 61.300 -0.186 0.000 2.045 676 I CB -1.330 36.595 38.000 -0.126 0.000 3.471 676 I HN 0.397 nan 8.210 nan 0.000 0.172 677 F N 0.496 120.350 119.950 -0.160 0.000 2.753 677 F HA 0.690 5.228 4.527 0.018 0.000 0.314 677 F C 1.210 176.945 175.800 -0.109 0.000 1.215 677 F CA -0.109 57.827 58.000 -0.106 0.000 1.243 677 F CB -0.323 38.626 39.000 -0.085 0.000 1.400 677 F HN 0.304 nan 8.300 nan 0.000 0.548 678 G N 2.188 110.866 108.800 -0.203 0.000 2.512 678 G HA2 -0.177 3.794 3.960 0.018 0.000 0.254 678 G HA3 -0.177 3.794 3.960 0.018 0.000 0.254 678 G C -0.717 173.881 174.900 -0.505 0.000 1.199 678 G CA -0.086 44.855 45.100 -0.266 0.000 0.941 678 G HN 1.024 nan 8.290 nan 0.000 0.569 679 K N -0.317 119.782 120.400 -0.503 0.000 2.372 679 K HA 0.530 4.861 4.320 0.018 0.000 0.354 679 K C -1.201 175.180 176.600 -0.364 0.000 1.394 679 K CA -0.604 55.345 56.287 -0.563 0.000 1.138 679 K CB 0.902 33.078 32.500 -0.540 0.000 1.399 679 K HN 0.826 nan 8.250 nan 0.000 0.480 680 E N 2.256 122.229 120.200 -0.378 0.000 2.413 680 E HA 0.270 4.631 4.350 0.018 0.000 0.277 680 E C -2.605 173.871 176.600 -0.207 0.000 0.958 680 E CA -2.202 54.060 56.400 -0.229 0.000 0.779 680 E CB 2.600 32.190 29.700 -0.183 0.000 1.278 680 E HN 0.173 nan 8.360 nan 0.000 0.456 681 P HA 0.003 nan 4.420 nan 0.000 0.216 681 P C 0.367 177.567 177.300 -0.167 0.000 1.154 681 P CA 0.809 63.827 63.100 -0.137 0.000 0.857 681 P CB 0.303 31.962 31.700 -0.069 0.000 0.787 682 D N -0.546 119.781 120.400 -0.121 0.000 2.363 682 D HA -0.063 4.588 4.640 0.018 0.000 0.226 682 D C 1.629 177.864 176.300 -0.109 0.000 1.020 682 D CA 0.457 54.394 54.000 -0.105 0.000 0.892 682 D CB -0.276 40.482 40.800 -0.069 0.000 0.900 682 D HN 0.343 nan 8.370 nan 0.000 0.531 683 E N -0.149 119.974 120.200 -0.129 0.000 2.285 683 E HA -0.097 4.265 4.350 0.018 0.000 0.194 683 E C 1.305 177.835 176.600 -0.118 0.000 0.997 683 E CA 0.431 56.779 56.400 -0.087 0.000 0.845 683 E CB 0.233 29.894 29.700 -0.066 0.000 0.782 683 E HN 0.004 nan 8.360 nan 0.000 0.491 684 M N 0.062 119.495 119.600 -0.278 0.000 2.288 684 M HA -0.030 4.461 4.480 0.018 0.000 0.266 684 M C 1.960 178.087 176.300 -0.289 0.000 1.072 684 M CA 0.931 55.898 55.300 -0.554 0.000 1.132 684 M CB -0.651 31.179 32.600 -1.283 0.000 1.386 684 M HN 0.123 nan 8.290 nan 0.000 0.432 685 L N -0.122 120.997 121.223 -0.173 0.000 1.971 685 L HA -0.257 4.094 4.340 0.018 0.000 0.215 685 L C 2.590 179.428 176.870 -0.053 0.000 1.072 685 L CA 1.997 56.789 54.840 -0.080 0.000 0.758 685 L CB -1.198 40.823 42.059 -0.063 0.000 0.889 685 L HN 0.417 nan 8.230 nan 0.000 0.433 686 E N 1.138 121.307 120.200 -0.052 0.000 2.005 686 E HA -0.264 4.098 4.350 0.018 0.000 0.198 686 E C 2.318 178.904 176.600 -0.024 0.000 1.010 686 E CA 1.676 58.058 56.400 -0.030 0.000 0.825 686 E CB -0.373 29.313 29.700 -0.024 0.000 0.769 686 E HN 0.459 nan 8.360 nan 0.000 0.456 687 L N 0.461 121.666 121.223 -0.029 0.000 2.079 687 L HA -0.146 4.205 4.340 0.018 0.000 0.210 687 L C 2.804 179.674 176.870 -0.000 0.000 1.081 687 L CA 1.081 55.906 54.840 -0.025 0.000 0.752 687 L CB -0.235 41.795 42.059 -0.047 0.000 0.896 687 L HN 0.377 nan 8.230 nan 0.000 0.433 688 I N -1.242 119.346 120.570 0.030 0.000 2.584 688 I HA -0.273 3.908 4.170 0.018 0.000 0.255 688 I C 2.416 178.534 176.117 0.002 0.000 1.145 688 I CA 0.419 61.753 61.300 0.057 0.000 1.462 688 I CB 0.301 38.412 38.000 0.186 0.000 1.102 688 I HN 0.284 nan 8.210 nan 0.000 0.433 689 M N 1.214 120.812 119.600 -0.003 0.000 2.086 689 M HA -0.239 4.252 4.480 0.018 0.000 0.261 689 M C 1.427 177.734 176.300 0.012 0.000 1.067 689 M CA 1.964 57.261 55.300 -0.005 0.000 1.116 689 M CB -0.685 31.910 32.600 -0.008 0.000 1.348 689 M HN 0.111 nan 8.290 nan 0.000 0.407 690 D N -0.006 120.398 120.400 0.007 0.000 2.327 690 D HA -0.225 4.426 4.640 0.018 0.000 0.205 690 D C 1.961 178.273 176.300 0.019 0.000 1.036 690 D CA 1.621 55.627 54.000 0.010 0.000 0.897 690 D CB -0.428 40.371 40.800 -0.003 0.000 1.117 690 D HN 0.151 nan 8.370 nan 0.000 0.471 691 R N -0.028 120.480 120.500 0.014 0.000 2.303 691 R HA 0.002 4.353 4.340 0.018 0.000 0.225 691 R C 2.102 178.427 176.300 0.041 0.000 1.114 691 R CA 0.501 56.614 56.100 0.022 0.000 1.007 691 R CB -0.588 29.721 30.300 0.016 0.000 0.861 691 R HN 0.421 nan 8.270 nan 0.000 0.471 692 I N -1.493 119.101 120.570 0.039 0.000 3.039 692 I HA -0.074 4.107 4.170 0.018 0.000 0.270 692 I C 1.841 178.032 176.117 0.122 0.000 1.150 692 I CA 0.096 61.431 61.300 0.059 0.000 1.448 692 I CB -0.018 37.978 38.000 -0.007 0.000 1.197 692 I HN -0.050 nan 8.210 nan 0.000 0.450 693 I N 0.881 121.522 120.570 0.119 0.000 2.286 693 I HA -0.257 3.924 4.170 0.018 0.000 0.245 693 I C 2.661 178.874 176.117 0.160 0.000 1.104 693 I CA 1.982 63.418 61.300 0.226 0.000 1.397 693 I CB -0.249 37.852 38.000 0.168 0.000 1.072 693 I HN 0.354 nan 8.210 nan 0.000 0.417 694 T N -1.467 113.133 114.554 0.077 0.000 2.652 694 T HA -0.285 4.076 4.350 0.018 0.000 0.267 694 T C 2.135 176.854 174.700 0.031 0.000 1.039 694 T CA 1.594 63.712 62.100 0.030 0.000 1.153 694 T CB -0.611 68.268 68.868 0.019 0.000 0.863 694 T HN 0.269 nan 8.240 nan 0.000 0.428 695 K N 0.165 120.607 120.400 0.069 0.000 2.057 695 K HA -0.168 4.163 4.320 0.018 0.000 0.207 695 K C 2.317 178.990 176.600 0.122 0.000 1.049 695 K CA 1.705 58.042 56.287 0.083 0.000 0.931 695 K CB -0.456 32.101 32.500 0.095 0.000 0.714 695 K HN 0.657 nan 8.250 nan 0.000 0.440 696 Y N 1.366 121.702 120.300 0.060 0.000 2.181 696 Y HA -0.187 4.374 4.550 0.019 0.000 0.288 696 Y C 1.527 177.482 175.900 0.091 0.000 1.146 696 Y CA 2.034 60.186 58.100 0.086 0.000 1.164 696 Y CB -0.881 37.618 38.460 0.066 0.000 0.982 696 Y HN 0.172 nan 8.280 nan 0.000 0.515 697 N N 0.274 118.683 118.700 -0.485 0.000 2.149 697 N HA -0.226 4.525 4.740 0.018 0.000 0.188 697 N C 1.801 177.189 175.510 -0.205 0.000 1.019 697 N CA 1.384 54.144 53.050 -0.483 0.000 0.857 697 N CB -0.238 38.072 38.487 -0.294 0.000 0.997 697 N HN 0.781 nan 8.380 nan 0.000 0.426 698 E N 0.726 120.872 120.200 -0.090 0.000 2.299 698 E HA -0.063 4.298 4.350 0.018 0.000 0.193 698 E C 1.721 178.333 176.600 0.019 0.000 0.998 698 E CA 0.554 56.935 56.400 -0.031 0.000 0.851 698 E CB 0.191 29.887 29.700 -0.006 0.000 0.795 698 E HN 0.042 nan 8.360 nan 0.000 0.492 699 K N 1.511 121.946 120.400 0.059 0.000 2.076 699 K HA -0.133 4.198 4.320 0.018 0.000 0.204 699 K C 1.999 178.678 176.600 0.131 0.000 1.051 699 K CA 1.626 57.991 56.287 0.131 0.000 0.949 699 K CB 0.050 32.660 32.500 0.184 0.000 0.726 699 K HN 0.431 nan 8.250 nan 0.000 0.443 700 E N 0.309 120.560 120.200 0.086 0.000 2.478 700 E HA -0.129 4.232 4.350 0.018 0.000 0.198 700 E C 1.600 178.207 176.600 0.012 0.000 1.046 700 E CA 0.838 57.281 56.400 0.071 0.000 0.870 700 E CB 0.074 29.825 29.700 0.086 0.000 0.818 700 E HN 0.329 nan 8.360 nan 0.000 0.527 701 E N 0.648 120.834 120.200 -0.024 0.000 2.190 701 E HA -0.138 4.223 4.350 0.018 0.000 0.191 701 E C 1.967 178.497 176.600 -0.118 0.000 0.978 701 E CA 0.382 56.744 56.400 -0.064 0.000 0.839 701 E CB 0.075 29.732 29.700 -0.072 0.000 0.787 701 E HN 0.400 nan 8.360 nan 0.000 0.473 702 Q N -0.836 118.889 119.800 -0.126 0.000 2.137 702 Q HA 0.010 4.361 4.340 0.018 0.000 0.198 702 Q C -0.152 175.425 176.000 -0.704 0.000 0.960 702 Q CA 0.853 56.426 55.803 -0.383 0.000 0.847 702 Q CB 0.363 28.968 28.738 -0.221 0.000 0.915 702 Q HN 0.172 nan 8.270 nan 0.000 0.448 703 F N -1.054 118.905 119.950 0.015 0.000 2.872 703 F HA 0.355 4.893 4.527 0.019 0.000 0.365 703 F C 0.475 176.273 175.800 -0.005 0.000 1.296 703 F CA -0.640 57.368 58.000 0.013 0.000 1.199 703 F CB 1.390 40.412 39.000 0.037 0.000 1.687 703 F HN -0.095 nan 8.300 nan 0.000 0.604 704 G N 0.428 109.275 108.800 0.079 0.000 3.277 704 G HA2 0.092 4.064 3.960 0.018 0.000 0.243 704 G HA3 0.092 4.064 3.960 0.018 0.000 0.243 704 G C 0.969 175.883 174.900 0.023 0.000 1.107 704 G CA -0.192 44.934 45.100 0.043 0.000 0.771 704 G HN 0.367 nan 8.290 nan 0.000 0.544 705 K N 0.081 120.497 120.400 0.027 0.000 2.358 705 K HA 0.191 4.522 4.320 0.018 0.000 0.200 705 K C 1.314 177.911 176.600 -0.005 0.000 1.030 705 K CA 0.081 56.377 56.287 0.015 0.000 1.097 705 K CB 0.732 33.245 32.500 0.021 0.000 0.862 705 K HN 0.258 nan 8.250 nan 0.000 0.534 706 E N 0.922 121.119 120.200 -0.006 0.000 2.201 706 E HA -0.087 4.274 4.350 0.018 0.000 0.193 706 E C 1.805 178.320 176.600 -0.142 0.000 0.957 706 E CA 0.283 56.667 56.400 -0.027 0.000 0.858 706 E CB 0.270 29.998 29.700 0.047 0.000 0.816 706 E HN 0.130 nan 8.360 nan 0.000 0.475 707 Q N 0.491 120.179 119.800 -0.188 0.000 2.135 707 Q HA -0.195 4.156 4.340 0.018 0.000 0.204 707 Q C 1.943 177.343 176.000 -1.000 0.000 0.981 707 Q CA 1.456 56.966 55.803 -0.488 0.000 0.856 707 Q CB 0.085 28.617 28.738 -0.344 0.000 0.902 707 Q HN 0.124 nan 8.270 nan 0.000 0.425 708 M N 0.116 119.358 119.600 -0.597 0.000 2.106 708 M HA -0.190 4.301 4.480 0.018 0.000 0.259 708 M C 1.993 178.137 176.300 -0.261 0.000 1.068 708 M CA 1.598 56.673 55.300 -0.374 0.000 1.100 708 M CB -1.169 31.420 32.600 -0.019 0.000 1.351 708 M HN 0.240 nan 8.290 nan 0.000 0.404 709 R N 0.541 120.924 120.500 -0.196 0.000 2.081 709 R HA -0.142 4.210 4.340 0.018 0.000 0.235 709 R C 1.939 178.157 176.300 -0.136 0.000 1.131 709 R CA 1.490 57.527 56.100 -0.104 0.000 0.960 709 R CB -0.510 29.756 30.300 -0.057 0.000 0.856 709 R HN 0.429 nan 8.270 nan 0.000 0.436 710 E N 0.001 120.051 120.200 -0.249 0.000 2.051 710 E HA -0.172 4.189 4.350 0.018 0.000 0.192 710 E C 2.059 178.582 176.600 -0.129 0.000 0.991 710 E CA 1.514 57.775 56.400 -0.231 0.000 0.799 710 E CB -0.323 29.202 29.700 -0.291 0.000 0.748 710 E HN 0.409 nan 8.360 nan 0.000 0.449 711 F N 0.882 120.820 119.950 -0.019 0.000 2.095 711 F HA -0.172 4.366 4.527 0.018 0.000 0.298 711 F C 2.657 178.429 175.800 -0.046 0.000 1.104 711 F CA 0.979 58.962 58.000 -0.028 0.000 1.232 711 F CB -0.358 38.630 39.000 -0.018 0.000 0.987 711 F HN 0.085 nan 8.300 nan 0.000 0.475 712 E N 0.778 121.061 120.200 0.138 0.000 2.058 712 E HA -0.258 4.103 4.350 0.018 0.000 0.194 712 E C 1.957 178.551 176.600 -0.010 0.000 0.997 712 E CA 1.243 57.674 56.400 0.052 0.000 0.801 712 E CB -0.018 29.698 29.700 0.028 0.000 0.746 712 E HN 0.008 nan 8.360 nan 0.000 0.450 713 K N -0.338 120.048 120.400 -0.023 0.000 2.366 713 K HA -0.007 4.324 4.320 0.018 0.000 0.198 713 K C 1.504 178.070 176.600 -0.056 0.000 1.044 713 K CA 0.333 56.592 56.287 -0.047 0.000 0.973 713 K CB 0.183 32.659 32.500 -0.040 0.000 0.767 713 K HN 0.009 nan 8.250 nan 0.000 0.475 714 V N 0.578 120.473 119.914 -0.030 0.000 2.283 714 V HA -0.150 3.981 4.120 0.018 0.000 0.239 714 V C 2.119 178.165 176.094 -0.079 0.000 1.035 714 V CA 1.192 63.462 62.300 -0.050 0.000 1.018 714 V CB -0.305 31.534 31.823 0.028 0.000 0.658 714 V HN 0.145 nan 8.190 nan 0.000 0.459 715 I N 0.405 120.956 120.570 -0.031 0.000 2.052 715 I HA -0.237 3.944 4.170 0.018 0.000 0.235 715 I C 2.516 178.579 176.117 -0.089 0.000 1.046 715 I CA 1.784 63.048 61.300 -0.060 0.000 1.308 715 I CB -1.178 36.798 38.000 -0.039 0.000 1.031 715 I HN 0.152 nan 8.210 nan 0.000 0.395 716 V N 1.480 121.343 119.914 -0.085 0.000 2.278 716 V HA -0.310 3.821 4.120 0.018 0.000 0.251 716 V C 2.623 178.649 176.094 -0.114 0.000 1.062 716 V CA 2.241 64.474 62.300 -0.112 0.000 1.038 716 V CB -0.966 30.779 31.823 -0.129 0.000 0.646 716 V HN 0.466 nan 8.190 nan 0.000 0.447 717 L N 0.369 121.523 121.223 -0.114 0.000 1.944 717 L HA -0.212 4.139 4.340 0.018 0.000 0.218 717 L C 2.631 179.422 176.870 -0.131 0.000 1.075 717 L CA 2.172 56.939 54.840 -0.122 0.000 0.767 717 L CB -0.765 41.214 42.059 -0.134 0.000 0.890 717 L HN 0.106 nan 8.230 nan 0.000 0.434 718 R N 0.233 120.634 120.500 -0.166 0.000 2.096 718 R HA -0.116 4.235 4.340 0.018 0.000 0.235 718 R C 2.233 178.464 176.300 -0.115 0.000 1.127 718 R CA 1.355 57.346 56.100 -0.182 0.000 0.968 718 R CB -1.143 29.013 30.300 -0.240 0.000 0.861 718 R HN 0.680 nan 8.270 nan 0.000 0.440 719 A N 1.017 123.777 122.820 -0.100 0.000 1.829 719 A HA -0.163 4.168 4.320 0.018 0.000 0.216 719 A C 2.454 180.027 177.584 -0.018 0.000 1.207 719 A CA 1.909 53.901 52.037 -0.075 0.000 0.622 719 A CB -1.055 17.883 19.000 -0.103 0.000 0.846 719 A HN 0.084 nan 8.150 nan 0.000 0.447 720 V N 0.458 120.355 119.914 -0.028 0.000 2.233 720 V HA -0.348 3.783 4.120 0.018 0.000 0.252 720 V C 2.317 178.455 176.094 0.074 0.000 1.063 720 V CA 2.755 65.078 62.300 0.038 0.000 1.032 720 V CB -0.932 30.875 31.823 -0.027 0.000 0.645 720 V HN 0.600 nan 8.190 nan 0.000 0.446 721 D N -0.749 119.646 120.400 -0.008 0.000 2.113 721 D HA -0.080 4.571 4.640 0.018 0.000 0.206 721 D C 2.429 178.718 176.300 -0.019 0.000 0.979 721 D CA 1.754 55.738 54.000 -0.027 0.000 0.862 721 D CB -0.465 40.278 40.800 -0.094 0.000 1.013 721 D HN 0.480 nan 8.370 nan 0.000 0.455 722 S N 0.353 116.005 115.700 -0.080 0.000 2.355 722 S HA -0.187 4.294 4.470 0.018 0.000 0.222 722 S C 1.895 176.530 174.600 0.059 0.000 1.031 722 S CA 1.885 60.041 58.200 -0.073 0.000 0.993 722 S CB -0.096 63.004 63.200 -0.167 0.000 0.859 722 S HN 0.152 nan 8.310 nan 0.000 0.453 723 K N 0.465 120.915 120.400 0.084 0.000 1.991 723 K HA -0.010 4.321 4.320 0.018 0.000 0.207 723 K C 2.177 178.994 176.600 0.363 0.000 1.045 723 K CA 1.369 57.757 56.287 0.168 0.000 0.937 723 K CB -1.238 31.306 32.500 0.072 0.000 0.720 723 K HN 0.656 nan 8.250 nan 0.000 0.438 724 W N 0.648 121.980 121.300 0.054 0.000 2.488 724 W HA -0.050 4.621 4.660 0.020 0.000 0.304 724 W C 1.734 178.330 176.519 0.128 0.000 1.175 724 W CA 0.500 57.906 57.345 0.102 0.000 1.365 724 W CB 0.168 29.675 29.460 0.079 0.000 1.131 724 W HN 0.045 nan 8.180 nan 0.000 0.520 725 M N 0.341 120.009 119.600 0.114 0.000 2.267 725 M HA -0.176 4.315 4.480 0.018 0.000 0.263 725 M C 0.982 177.291 176.300 0.015 0.000 1.063 725 M CA 1.548 56.835 55.300 -0.022 0.000 1.090 725 M CB -1.388 31.222 32.600 0.016 0.000 1.392 725 M HN -0.013 nan 8.290 nan 0.000 0.422 726 D N -1.198 119.260 120.400 0.097 0.000 2.240 726 D HA -0.071 4.580 4.640 0.018 0.000 0.206 726 D C 1.873 178.241 176.300 0.113 0.000 0.963 726 D CA 0.888 54.953 54.000 0.109 0.000 0.863 726 D CB -0.195 40.682 40.800 0.128 0.000 0.973 726 D HN 0.465 nan 8.370 nan 0.000 0.501 727 H N 0.630 119.749 119.070 0.080 0.000 2.276 727 H HA -0.045 4.522 4.556 0.019 0.000 0.301 727 H C 2.039 177.332 175.328 -0.058 0.000 1.073 727 H CA 1.158 57.261 56.048 0.092 0.000 1.311 727 H CB 0.024 29.967 29.762 0.302 0.000 1.379 727 H HN -0.107 nan 8.280 nan 0.000 0.494 728 I N 1.027 121.538 120.570 -0.098 0.000 2.145 728 I HA -0.287 3.894 4.170 0.018 0.000 0.244 728 I C 2.166 178.200 176.117 -0.138 0.000 1.075 728 I CA 1.896 63.038 61.300 -0.262 0.000 1.332 728 I CB -1.257 36.432 38.000 -0.518 0.000 1.033 728 I HN 0.460 nan 8.210 nan 0.000 0.410 729 D N 0.416 120.761 120.400 -0.092 0.000 2.092 729 D HA -0.147 4.504 4.640 0.018 0.000 0.193 729 D C 2.197 178.467 176.300 -0.050 0.000 0.994 729 D CA 1.744 55.714 54.000 -0.050 0.000 0.828 729 D CB 0.047 40.840 40.800 -0.013 0.000 0.963 729 D HN 0.290 nan 8.370 nan 0.000 0.450 730 A N -0.067 122.717 122.820 -0.061 0.000 1.978 730 A HA -0.174 4.157 4.320 0.018 0.000 0.220 730 A C 2.139 179.645 177.584 -0.130 0.000 1.170 730 A CA 1.311 53.296 52.037 -0.086 0.000 0.636 730 A CB -0.504 18.436 19.000 -0.101 0.000 0.810 730 A HN 0.255 nan 8.150 nan 0.000 0.448 731 M N -0.453 119.039 119.600 -0.179 0.000 2.066 731 M HA -0.120 4.371 4.480 0.018 0.000 0.259 731 M C 1.838 178.155 176.300 0.027 0.000 1.074 731 M CA 1.793 57.012 55.300 -0.135 0.000 1.114 731 M CB -1.509 31.015 32.600 -0.127 0.000 1.306 731 M HN 0.398 nan 8.290 nan 0.000 0.411 732 D N -0.025 120.382 120.400 0.012 0.000 2.203 732 D HA -0.222 4.429 4.640 0.018 0.000 0.199 732 D C 1.958 178.274 176.300 0.027 0.000 0.997 732 D CA 1.345 55.366 54.000 0.035 0.000 0.863 732 D CB -0.058 40.742 40.800 -0.001 0.000 0.928 732 D HN 0.376 nan 8.370 nan 0.000 0.458 733 Q N 0.051 119.852 119.800 0.002 0.000 2.045 733 Q HA -0.114 4.237 4.340 0.018 0.000 0.206 733 Q C 2.382 178.388 176.000 0.009 0.000 0.991 733 Q CA 1.337 57.135 55.803 -0.009 0.000 0.851 733 Q CB -0.508 28.215 28.738 -0.024 0.000 0.911 733 Q HN 0.358 nan 8.270 nan 0.000 0.418 734 L N -0.022 121.231 121.223 0.050 0.000 2.083 734 L HA -0.182 4.169 4.340 0.018 0.000 0.209 734 L C 2.777 179.753 176.870 0.176 0.000 1.083 734 L CA 1.504 56.416 54.840 0.120 0.000 0.752 734 L CB -0.421 41.726 42.059 0.147 0.000 0.899 734 L HN 0.330 nan 8.230 nan 0.000 0.433 735 R N 0.334 120.967 120.500 0.222 0.000 2.080 735 R HA -0.198 4.153 4.340 0.018 0.000 0.236 735 R C 1.115 177.420 176.300 0.009 0.000 1.137 735 R CA 1.073 57.198 56.100 0.042 0.000 0.943 735 R CB -0.162 30.203 30.300 0.109 0.000 0.846 735 R HN 0.225 nan 8.270 nan 0.000 0.431 736 Q N -0.305 119.481 119.800 -0.023 0.000 2.395 736 Q HA 0.097 4.449 4.340 0.018 0.000 0.271 736 Q C -0.168 175.725 176.000 -0.179 0.000 1.026 736 Q CA 1.072 56.819 55.803 -0.093 0.000 0.900 736 Q CB 0.720 29.424 28.738 -0.056 0.000 1.266 736 Q HN 0.511 nan 8.270 nan 0.000 0.430 737 G N 4.245 112.869 108.800 -0.293 0.000 2.242 737 G HA2 -0.263 3.708 3.960 0.018 0.000 0.265 737 G HA3 -0.263 3.708 3.960 0.018 0.000 0.265 737 G C 0.237 174.964 174.900 -0.288 0.000 0.832 737 G CA 0.800 45.694 45.100 -0.344 0.000 1.181 737 G HN 0.771 nan 8.290 nan 0.000 0.428 738 I N 0.380 120.719 120.570 -0.385 0.000 3.425 738 I HA 0.178 4.359 4.170 0.018 0.000 0.298 738 I C 0.188 176.184 176.117 -0.202 0.000 1.278 738 I CA -0.716 60.443 61.300 -0.235 0.000 1.475 738 I CB -0.132 37.836 38.000 -0.053 0.000 1.283 738 I HN 0.236 nan 8.210 nan 0.000 0.540 739 H N 3.813 122.756 119.070 -0.212 0.000 2.421 739 H HA 0.310 4.877 4.556 0.018 0.000 0.241 739 H C -0.225 174.988 175.328 -0.192 0.000 1.428 739 H CA -0.572 55.364 56.048 -0.185 0.000 1.136 739 H CB -0.262 29.450 29.762 -0.084 0.000 1.612 739 H HN 0.412 nan 8.280 nan 0.000 0.537 740 L N -1.615 119.482 121.223 -0.209 0.000 2.399 740 L HA 0.672 5.023 4.340 0.018 0.000 0.265 740 L C 0.605 177.406 176.870 -0.115 0.000 1.089 740 L CA -1.442 53.292 54.840 -0.178 0.000 0.802 740 L CB 1.045 42.961 42.059 -0.237 0.000 1.180 740 L HN -0.152 nan 8.230 nan 0.000 0.454 741 R N 1.640 122.136 120.500 -0.007 0.000 2.756 741 R HA 0.325 4.676 4.340 0.018 0.000 0.264 741 R C 0.793 177.194 176.300 0.168 0.000 1.026 741 R CA 1.273 57.406 56.100 0.055 0.000 1.121 741 R CB 0.155 30.479 30.300 0.041 0.000 0.999 741 R HN 1.036 nan 8.270 nan 0.000 0.449 742 A N 0.471 123.385 122.820 0.157 0.000 3.080 742 A HA -0.205 4.126 4.320 0.018 0.000 0.254 742 A C -0.784 176.954 177.584 0.257 0.000 1.277 742 A CA 1.008 53.148 52.037 0.172 0.000 1.065 742 A CB -2.337 16.740 19.000 0.129 0.000 1.160 742 A HN 0.455 nan 8.150 nan 0.000 0.886 743 Y N -0.747 119.569 120.300 0.026 0.000 2.420 743 Y HA 0.709 5.271 4.550 0.019 0.000 0.334 743 Y C 0.591 176.501 175.900 0.016 0.000 1.094 743 Y CA -1.179 56.945 58.100 0.041 0.000 1.126 743 Y CB 1.583 40.093 38.460 0.083 0.000 1.217 743 Y HN 0.761 nan 8.280 nan 0.000 0.462 744 A N 2.297 125.220 122.820 0.171 0.000 2.340 744 A HA 0.522 4.853 4.320 0.018 0.000 0.331 744 A C -0.703 176.953 177.584 0.120 0.000 1.140 744 A CA -0.989 51.105 52.037 0.095 0.000 0.801 744 A CB 0.706 19.739 19.000 0.056 0.000 1.234 744 A HN 0.807 nan 8.150 nan 0.000 0.469 745 Q N 0.664 120.510 119.800 0.075 0.000 2.315 745 Q HA 0.252 4.603 4.340 0.018 0.000 0.289 745 Q C 0.032 176.100 176.000 0.112 0.000 1.044 745 Q CA 1.149 57.017 55.803 0.110 0.000 0.920 745 Q CB 0.081 28.851 28.738 0.053 0.000 1.214 745 Q HN 0.855 nan 8.270 nan 0.000 0.392 746 T N 0.768 115.414 114.554 0.153 0.000 4.210 746 T HA -0.234 4.127 4.350 0.018 0.000 0.329 746 T C 0.471 175.251 174.700 0.133 0.000 0.793 746 T CA 1.477 63.663 62.100 0.145 0.000 1.935 746 T CB -1.402 67.511 68.868 0.074 0.000 1.918 746 T HN 0.876 nan 8.240 nan 0.000 0.875 747 N N -0.085 118.696 118.700 0.135 0.000 2.460 747 N HA 0.060 4.811 4.740 0.018 0.000 0.193 747 N C -1.148 174.412 175.510 0.083 0.000 1.080 747 N CA -0.223 52.878 53.050 0.086 0.000 0.869 747 N CB 0.626 39.143 38.487 0.050 0.000 1.201 747 N HN 0.283 nan 8.380 nan 0.000 0.457 748 P HA -0.210 nan 4.420 nan 0.000 0.219 748 P C 1.681 179.069 177.300 0.147 0.000 1.144 748 P CA 0.719 63.942 63.100 0.206 0.000 0.806 748 P CB -0.124 31.813 31.700 0.395 0.000 0.771 749 L N -0.293 121.031 121.223 0.169 0.000 2.089 749 L HA -0.217 4.134 4.340 0.018 0.000 0.213 749 L C 2.403 179.332 176.870 0.098 0.000 1.079 749 L CA 2.115 57.041 54.840 0.143 0.000 0.758 749 L CB -0.642 41.519 42.059 0.170 0.000 0.891 749 L HN 0.004 nan 8.230 nan 0.000 0.433 750 R N -0.141 120.401 120.500 0.069 0.000 2.075 750 R HA -0.186 4.165 4.340 0.018 0.000 0.232 750 R C 2.072 178.386 176.300 0.024 0.000 1.126 750 R CA 1.520 57.642 56.100 0.037 0.000 0.963 750 R CB -0.246 30.054 30.300 0.001 0.000 0.858 750 R HN 0.481 nan 8.270 nan 0.000 0.435 751 E N -0.669 119.539 120.200 0.014 0.000 2.112 751 E HA -0.146 4.215 4.350 0.018 0.000 0.190 751 E C 1.671 178.309 176.600 0.064 0.000 0.979 751 E CA 0.695 57.106 56.400 0.019 0.000 0.814 751 E CB -0.132 29.581 29.700 0.021 0.000 0.762 751 E HN 0.209 nan 8.360 nan 0.000 0.460 752 Y N 1.854 122.099 120.300 -0.092 0.000 2.114 752 Y HA -0.282 4.280 4.550 0.020 0.000 0.284 752 Y C 2.230 178.019 175.900 -0.184 0.000 1.143 752 Y CA 2.294 60.269 58.100 -0.208 0.000 1.135 752 Y CB -0.314 37.857 38.460 -0.481 0.000 0.980 752 Y HN 0.126 nan 8.280 nan 0.000 0.499 753 Q N -0.747 119.036 119.800 -0.028 0.000 2.030 753 Q HA -0.257 4.094 4.340 0.018 0.000 0.204 753 Q C 2.262 178.275 176.000 0.021 0.000 0.986 753 Q CA 2.152 57.938 55.803 -0.029 0.000 0.843 753 Q CB -0.717 28.096 28.738 0.125 0.000 0.904 753 Q HN 0.441 nan 8.270 nan 0.000 0.420 754 M N 0.692 120.321 119.600 0.049 0.000 2.065 754 M HA -0.195 4.297 4.480 0.018 0.000 0.259 754 M C 2.079 178.400 176.300 0.034 0.000 1.069 754 M CA 1.909 57.249 55.300 0.066 0.000 1.110 754 M CB -0.291 32.333 32.600 0.040 0.000 1.328 754 M HN 0.338 nan 8.290 nan 0.000 0.405 755 E N -0.735 119.446 120.200 -0.033 0.000 2.208 755 E HA -0.071 4.290 4.350 0.018 0.000 0.193 755 E C 1.914 178.445 176.600 -0.114 0.000 0.988 755 E CA 0.843 57.216 56.400 -0.045 0.000 0.828 755 E CB -0.128 29.547 29.700 -0.042 0.000 0.763 755 E HN 0.601 nan 8.360 nan 0.000 0.478 756 G N -0.446 108.183 108.800 -0.284 0.000 2.623 756 G HA2 -0.120 3.851 3.960 0.018 0.000 0.214 756 G HA3 -0.120 3.851 3.960 0.018 0.000 0.214 756 G C 1.102 175.853 174.900 -0.248 0.000 1.138 756 G CA -0.111 44.742 45.100 -0.412 0.000 0.794 756 G HN 0.146 nan 8.290 nan 0.000 0.535 757 F N 0.836 120.776 119.950 -0.016 0.000 2.530 757 F HA 0.278 4.816 4.527 0.019 0.000 0.292 757 F C 2.814 178.673 175.800 0.099 0.000 1.109 757 F CA 0.263 58.301 58.000 0.064 0.000 1.450 757 F CB 0.385 39.391 39.000 0.009 0.000 1.114 757 F HN 0.195 nan 8.300 nan 0.000 0.560 758 A N 0.802 123.750 122.820 0.214 0.000 1.851 758 A HA -0.252 4.079 4.320 0.018 0.000 0.216 758 A C 2.155 179.860 177.584 0.201 0.000 1.195 758 A CA 1.887 54.007 52.037 0.139 0.000 0.622 758 A CB -0.849 18.240 19.000 0.149 0.000 0.831 758 A HN 0.310 nan 8.150 nan 0.000 0.444 759 M N -2.182 117.572 119.600 0.256 0.000 2.089 759 M HA -0.189 4.302 4.480 0.018 0.000 0.257 759 M C 2.160 178.738 176.300 0.463 0.000 1.071 759 M CA 2.089 57.580 55.300 0.319 0.000 1.096 759 M CB -0.587 32.061 32.600 0.080 0.000 1.330 759 M HN 0.474 nan 8.290 nan 0.000 0.403 760 F N 1.234 121.404 119.950 0.366 0.000 2.102 760 F HA -0.186 4.352 4.527 0.019 0.000 0.298 760 F C 2.253 178.118 175.800 0.108 0.000 1.105 760 F CA 1.783 59.935 58.000 0.253 0.000 1.239 760 F CB -0.398 38.724 39.000 0.202 0.000 0.991 760 F HN 0.151 nan 8.300 nan 0.000 0.474 761 E N -0.976 119.311 120.200 0.145 0.000 2.086 761 E HA -0.292 4.069 4.350 0.018 0.000 0.200 761 E C 2.194 178.697 176.600 -0.163 0.000 1.012 761 E CA 1.757 58.104 56.400 -0.088 0.000 0.812 761 E CB -0.380 29.225 29.700 -0.159 0.000 0.743 761 E HN 0.540 nan 8.360 nan 0.000 0.453 762 H N -0.208 118.894 119.070 0.054 0.000 2.326 762 H HA -0.082 4.485 4.556 0.018 0.000 0.301 762 H C 2.165 177.497 175.328 0.007 0.000 1.081 762 H CA 1.231 57.301 56.048 0.037 0.000 1.334 762 H CB -0.410 29.394 29.762 0.070 0.000 1.385 762 H HN 0.221 nan 8.280 nan 0.000 0.504 763 M N 0.724 120.410 119.600 0.142 0.000 2.159 763 M HA -0.139 4.352 4.480 0.018 0.000 0.263 763 M C 2.112 178.360 176.300 -0.086 0.000 1.063 763 M CA 1.400 56.743 55.300 0.071 0.000 1.110 763 M CB -0.304 32.392 32.600 0.159 0.000 1.374 763 M HN 0.125 nan 8.290 nan 0.000 0.411 764 I N 0.456 120.880 120.570 -0.245 0.000 2.286 764 I HA -0.312 3.869 4.170 0.018 0.000 0.248 764 I C 2.084 178.122 176.117 -0.131 0.000 1.115 764 I CA 1.459 62.594 61.300 -0.275 0.000 1.392 764 I CB -0.287 37.491 38.000 -0.370 0.000 1.065 764 I HN 0.390 nan 8.210 nan 0.000 0.418 765 E N -0.211 119.948 120.200 -0.067 0.000 2.072 765 E HA -0.175 4.186 4.350 0.018 0.000 0.190 765 E C 2.272 178.874 176.600 0.004 0.000 0.982 765 E CA 1.233 57.623 56.400 -0.016 0.000 0.803 765 E CB -0.161 29.557 29.700 0.030 0.000 0.755 765 E HN 0.260 nan 8.360 nan 0.000 0.453 766 S N 0.845 116.561 115.700 0.026 0.000 2.365 766 S HA -0.179 4.302 4.470 0.018 0.000 0.225 766 S C 2.024 176.627 174.600 0.005 0.000 1.039 766 S CA 0.986 59.206 58.200 0.033 0.000 1.033 766 S CB -0.285 62.956 63.200 0.068 0.000 0.887 766 S HN 0.180 nan 8.310 nan 0.000 0.447 767 I N 1.347 121.901 120.570 -0.026 0.000 2.145 767 I HA -0.258 3.923 4.170 0.018 0.000 0.244 767 I C 2.477 178.566 176.117 -0.046 0.000 1.075 767 I CA 1.746 63.013 61.300 -0.055 0.000 1.332 767 I CB -0.559 37.387 38.000 -0.090 0.000 1.033 767 I HN 0.425 nan 8.210 nan 0.000 0.410 768 E N 0.359 120.536 120.200 -0.038 0.000 2.110 768 E HA -0.266 4.095 4.350 0.018 0.000 0.193 768 E C 1.683 178.293 176.600 0.016 0.000 0.988 768 E CA 1.457 57.843 56.400 -0.024 0.000 0.804 768 E CB -0.162 29.522 29.700 -0.028 0.000 0.745 768 E HN 0.483 nan 8.360 nan 0.000 0.458 769 D N 1.115 121.532 120.400 0.029 0.000 2.081 769 D HA -0.188 4.463 4.640 0.018 0.000 0.194 769 D C 1.588 177.924 176.300 0.060 0.000 0.986 769 D CA 1.485 55.517 54.000 0.053 0.000 0.837 769 D CB -0.102 40.715 40.800 0.028 0.000 0.985 769 D HN 0.063 nan 8.370 nan 0.000 0.448 770 E N -0.320 119.896 120.200 0.025 0.000 2.196 770 E HA -0.304 4.057 4.350 0.018 0.000 0.222 770 E C 2.236 178.830 176.600 -0.009 0.000 1.072 770 E CA 2.568 58.948 56.400 -0.034 0.000 0.902 770 E CB -0.471 29.150 29.700 -0.131 0.000 0.780 770 E HN 0.410 nan 8.360 nan 0.000 0.467 771 V N -1.210 118.695 119.914 -0.015 0.000 2.358 771 V HA -0.143 3.988 4.120 0.018 0.000 0.246 771 V C 2.138 178.283 176.094 0.085 0.000 1.047 771 V CA 1.843 64.150 62.300 0.013 0.000 1.035 771 V CB -0.750 31.050 31.823 -0.039 0.000 0.658 771 V HN 0.303 nan 8.190 nan 0.000 0.452 772 A N 0.791 123.669 122.820 0.097 0.000 1.858 772 A HA -0.221 4.110 4.320 0.018 0.000 0.216 772 A C 2.436 180.142 177.584 0.203 0.000 1.190 772 A CA 2.435 54.567 52.037 0.158 0.000 0.617 772 A CB -0.873 18.275 19.000 0.248 0.000 0.827 772 A HN 0.654 nan 8.150 nan 0.000 0.443 773 K N -1.621 118.881 120.400 0.169 0.000 2.074 773 K HA -0.196 4.135 4.320 0.018 0.000 0.209 773 K C 1.726 178.382 176.600 0.093 0.000 1.048 773 K CA 1.936 58.268 56.287 0.076 0.000 0.926 773 K CB -0.332 32.214 32.500 0.076 0.000 0.713 773 K HN 0.369 nan 8.250 nan 0.000 0.444 774 F N 0.733 120.673 119.950 -0.016 0.000 2.128 774 F HA -0.115 4.423 4.527 0.019 0.000 0.295 774 F C 2.336 178.127 175.800 -0.016 0.000 1.100 774 F CA 0.676 58.659 58.000 -0.028 0.000 1.260 774 F CB -0.619 38.358 39.000 -0.039 0.000 1.009 774 F HN -0.207 nan 8.300 nan 0.000 0.476 775 V N -0.052 119.982 119.914 0.200 0.000 2.380 775 V HA -0.341 3.790 4.120 0.018 0.000 0.251 775 V C 2.261 178.435 176.094 0.133 0.000 1.063 775 V CA 1.634 64.039 62.300 0.176 0.000 1.055 775 V CB -0.506 31.424 31.823 0.179 0.000 0.657 775 V HN 0.301 nan 8.190 nan 0.000 0.455 776 M N -1.587 118.078 119.600 0.108 0.000 2.501 776 M HA 0.141 4.632 4.480 0.018 0.000 0.261 776 M C 0.654 176.975 176.300 0.035 0.000 1.129 776 M CA 0.872 56.231 55.300 0.099 0.000 1.126 776 M CB 0.004 32.690 32.600 0.143 0.000 1.359 776 M HN 0.133 nan 8.290 nan 0.000 0.471 777 K N 0.883 121.256 120.400 -0.045 0.000 3.253 777 K HA 0.523 4.854 4.320 0.018 0.000 0.174 777 K C -1.150 175.340 176.600 -0.182 0.000 1.071 777 K CA 0.044 56.265 56.287 -0.109 0.000 0.836 777 K CB 1.047 33.451 32.500 -0.159 0.000 0.922 777 K HN 0.027 nan 8.250 nan 0.000 0.565 778 A N 0.931 123.700 122.820 -0.085 0.000 2.679 778 A HA 0.463 4.794 4.320 0.018 0.000 0.288 778 A C -0.990 176.824 177.584 0.383 0.000 1.160 778 A CA -0.508 51.515 52.037 -0.023 0.000 0.763 778 A CB 0.778 19.633 19.000 -0.243 0.000 1.270 778 A HN 0.236 nan 8.150 nan 0.000 0.417 779 E N 1.892 122.400 120.200 0.513 0.000 2.288 779 E HA 0.660 5.021 4.350 0.018 0.000 0.268 779 E C 0.116 176.671 176.600 -0.074 0.000 0.885 779 E CA -0.823 55.856 56.400 0.464 0.000 0.767 779 E CB 1.663 31.467 29.700 0.173 0.000 1.220 779 E HN 0.744 nan 8.360 nan 0.000 0.427 780 I N 0.000 120.271 120.570 -0.499 0.000 2.984 780 I HA 0.000 4.181 4.170 0.018 0.000 0.288 780 I CA 0.000 60.897 61.300 -0.671 0.000 1.566 780 I CB 0.000 37.566 38.000 -0.723 0.000 1.214 780 I HN 0.000 nan 8.210 nan 0.000 0.494