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 3iqm_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 LHFAVIDQVD 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 ENNLEREEVV QGQTTAHQPQ DATA SEQUENCE EG 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 0.000 176.101 176.300 -0.332 0.000 1.140 1 M CA 0.000 55.045 55.300 -0.425 0.000 0.988 1 M CB 0.000 32.308 32.600 -0.487 0.000 1.302 2 L N 1.828 122.927 121.223 -0.206 0.000 2.543 2 L HA 0.806 5.139 4.340 -0.012 0.000 0.285 2 L C 0.763 177.559 176.870 -0.124 0.000 1.236 2 L CA 0.885 55.637 54.840 -0.147 0.000 0.871 2 L CB -0.771 41.230 42.059 -0.096 0.000 1.121 2 L HN 0.774 nan 8.230 nan 0.000 0.501 3 G N 1.396 110.135 108.800 -0.102 0.000 2.354 3 G HA2 -0.035 3.918 3.960 -0.012 0.000 0.582 3 G HA3 -0.035 3.918 3.960 -0.012 0.000 0.582 3 G C 0.222 175.079 174.900 -0.072 0.000 1.316 3 G CA -0.454 44.600 45.100 -0.077 0.000 0.995 3 G HN 0.729 nan 8.290 nan 0.000 0.573 4 I N -0.234 120.306 120.570 -0.051 0.000 2.335 4 I HA -0.109 4.054 4.170 -0.012 0.000 0.251 4 I C 2.147 178.239 176.117 -0.040 0.000 1.129 4 I CA 1.066 62.343 61.300 -0.039 0.000 1.402 4 I CB -0.073 37.910 38.000 -0.028 0.000 1.069 4 I HN 0.250 nan 8.210 nan 0.000 0.424 5 L N 1.623 122.816 121.223 -0.049 0.000 2.922 5 L HA 0.066 4.399 4.340 -0.012 0.000 0.244 5 L C 1.137 177.961 176.870 -0.076 0.000 1.324 5 L CA 0.726 55.542 54.840 -0.040 0.000 1.172 5 L CB -1.243 40.797 42.059 -0.031 0.000 1.545 5 L HN 0.171 nan 8.230 nan 0.000 0.438 6 N N -0.833 117.814 118.700 -0.088 0.000 2.250 6 N HA -0.042 4.691 4.740 -0.012 0.000 0.190 6 N C 1.171 176.665 175.510 -0.027 0.000 1.116 6 N CA 0.134 53.098 53.050 -0.144 0.000 0.881 6 N CB 0.447 38.838 38.487 -0.161 0.000 1.006 6 N HN 0.215 nan 8.380 nan 0.000 0.491 7 K N 0.417 120.822 120.400 0.007 0.000 2.574 7 K HA 0.123 4.436 4.320 -0.012 0.000 0.193 7 K C 1.728 178.376 176.600 0.080 0.000 1.035 7 K CA 0.536 56.844 56.287 0.035 0.000 0.982 7 K CB 0.009 32.519 32.500 0.017 0.000 0.795 7 K HN 0.322 nan 8.250 nan 0.000 0.491 8 M N -1.249 118.438 119.600 0.145 0.000 2.394 8 M HA 0.060 4.533 4.480 -0.012 0.000 0.266 8 M C 0.640 177.096 176.300 0.259 0.000 1.098 8 M CA 1.037 56.451 55.300 0.189 0.000 1.149 8 M CB -0.055 32.679 32.600 0.224 0.000 1.369 8 M HN 0.013 nan 8.290 nan 0.000 0.450 9 F N 1.239 121.174 119.950 -0.025 0.000 2.811 9 F HA 0.020 4.540 4.527 -0.012 0.000 0.301 9 F C 1.473 177.253 175.800 -0.034 0.000 1.151 9 F CA 0.197 58.180 58.000 -0.029 0.000 1.412 9 F CB -0.923 38.061 39.000 -0.026 0.000 1.113 9 F HN 0.124 nan 8.300 nan 0.000 0.579 10 D N 0.920 121.407 120.400 0.145 0.000 2.117 10 D HA -0.103 4.530 4.640 -0.012 0.000 0.198 10 D C -0.187 176.124 176.300 0.018 0.000 0.982 10 D CA 1.295 55.332 54.000 0.062 0.000 0.828 10 D CB -1.422 39.403 40.800 0.041 0.000 0.967 10 D HN 0.154 nan 8.370 nan 0.000 0.464 11 P HA -0.090 nan 4.420 nan 0.000 0.219 11 P C 0.762 178.028 177.300 -0.057 0.000 1.146 11 P CA 1.421 64.505 63.100 -0.027 0.000 0.808 11 P CB 0.091 31.773 31.700 -0.029 0.000 0.779 12 T N -1.557 112.961 114.554 -0.061 0.000 3.014 12 T HA 0.132 4.474 4.350 -0.012 0.000 0.250 12 T C 1.772 176.422 174.700 -0.082 0.000 1.060 12 T CA 0.199 62.241 62.100 -0.097 0.000 1.040 12 T CB 0.078 68.873 68.868 -0.122 0.000 0.971 12 T HN 0.150 nan 8.240 nan 0.000 0.497 13 K N 1.566 121.950 120.400 -0.027 0.000 1.985 13 K HA 0.050 4.363 4.320 -0.012 0.000 0.210 13 K C 2.536 179.110 176.600 -0.045 0.000 1.047 13 K CA 1.023 57.304 56.287 -0.010 0.000 0.932 13 K CB -0.083 32.434 32.500 0.029 0.000 0.716 13 K HN 0.086 nan 8.250 nan 0.000 0.439 14 R N 0.119 120.590 120.500 -0.048 0.000 2.159 14 R HA -0.095 4.238 4.340 -0.012 0.000 0.237 14 R C 2.003 178.239 176.300 -0.108 0.000 1.131 14 R CA 1.399 57.464 56.100 -0.058 0.000 0.982 14 R CB -0.121 30.152 30.300 -0.045 0.000 0.868 14 R HN 0.235 nan 8.270 nan 0.000 0.453 15 T N 0.588 115.041 114.554 -0.168 0.000 2.942 15 T HA -0.039 4.304 4.350 -0.012 0.000 0.265 15 T C 1.490 175.934 174.700 -0.426 0.000 1.062 15 T CA 0.575 62.475 62.100 -0.334 0.000 1.139 15 T CB 0.062 68.708 68.868 -0.369 0.000 0.883 15 T HN 0.038 nan 8.240 nan 0.000 0.468 16 L N 1.285 122.369 121.223 -0.232 0.000 2.270 16 L HA 0.205 4.538 4.340 -0.012 0.000 0.210 16 L C 1.976 178.818 176.870 -0.046 0.000 1.104 16 L CA 1.051 55.811 54.840 -0.133 0.000 0.804 16 L CB -0.478 41.543 42.059 -0.063 0.000 0.937 16 L HN 0.080 nan 8.230 nan 0.000 0.450 17 N N -0.812 117.861 118.700 -0.046 0.000 2.244 17 N HA -0.145 4.588 4.740 -0.012 0.000 0.183 17 N C 1.874 177.391 175.510 0.013 0.000 1.016 17 N CA 0.775 53.821 53.050 -0.007 0.000 0.866 17 N CB -0.065 38.416 38.487 -0.011 0.000 0.980 17 N HN 0.228 nan 8.380 nan 0.000 0.430 18 R N -0.156 120.338 120.500 -0.009 0.000 2.065 18 R HA -0.052 4.280 4.340 -0.012 0.000 0.224 18 R C 1.748 178.156 176.300 0.179 0.000 1.161 18 R CA 1.159 57.291 56.100 0.053 0.000 0.923 18 R CB -0.717 29.590 30.300 0.012 0.000 0.822 18 R HN 0.325 nan 8.270 nan 0.000 0.437 19 Y N 0.503 120.808 120.300 0.009 0.000 2.173 19 Y HA -0.335 4.208 4.550 -0.012 0.000 0.282 19 Y C 2.521 178.437 175.900 0.026 0.000 1.192 19 Y CA 1.301 59.413 58.100 0.020 0.000 1.176 19 Y CB -0.164 38.309 38.460 0.022 0.000 0.969 19 Y HN 0.498 nan 8.280 nan 0.000 0.519 20 E N 0.850 121.161 120.200 0.184 0.000 2.106 20 E HA -0.185 4.158 4.350 -0.012 0.000 0.192 20 E C 1.923 178.577 176.600 0.090 0.000 0.984 20 E CA 0.958 57.426 56.400 0.112 0.000 0.806 20 E CB 0.079 29.824 29.700 0.075 0.000 0.750 20 E HN 0.431 nan 8.360 nan 0.000 0.458 21 K N 0.334 120.787 120.400 0.087 0.000 2.001 21 K HA -0.105 4.208 4.320 -0.012 0.000 0.208 21 K C 2.183 178.823 176.600 0.066 0.000 1.048 21 K CA 1.130 57.457 56.287 0.067 0.000 0.932 21 K CB -0.129 32.405 32.500 0.056 0.000 0.715 21 K HN 0.150 nan 8.250 nan 0.000 0.437 22 I N 1.719 122.335 120.570 0.077 0.000 2.143 22 I HA -0.327 3.835 4.170 -0.012 0.000 0.245 22 I C 2.507 178.654 176.117 0.050 0.000 1.068 22 I CA 1.725 63.053 61.300 0.048 0.000 1.326 22 I CB -1.521 36.498 38.000 0.031 0.000 1.028 22 I HN 0.167 nan 8.210 nan 0.000 0.412 23 A N 0.685 123.547 122.820 0.069 0.000 1.978 23 A HA -0.216 4.097 4.320 -0.012 0.000 0.220 23 A C 2.078 179.696 177.584 0.057 0.000 1.170 23 A CA 1.804 53.879 52.037 0.065 0.000 0.636 23 A CB -0.659 18.378 19.000 0.062 0.000 0.810 23 A HN 0.471 nan 8.150 nan 0.000 0.448 24 N N 0.267 119.002 118.700 0.058 0.000 2.270 24 N HA -0.098 4.635 4.740 -0.012 0.000 0.181 24 N C 0.902 176.448 175.510 0.060 0.000 1.016 24 N CA 1.271 54.355 53.050 0.058 0.000 0.870 24 N CB -0.296 38.223 38.487 0.053 0.000 0.979 24 N HN 0.436 nan 8.380 nan 0.000 0.431 25 D N 0.651 121.084 120.400 0.055 0.000 2.144 25 D HA -0.059 4.574 4.640 -0.012 0.000 0.200 25 D C 1.924 178.267 176.300 0.072 0.000 0.978 25 D CA 0.482 54.516 54.000 0.056 0.000 0.833 25 D CB -0.054 40.770 40.800 0.040 0.000 0.961 25 D HN 0.168 nan 8.370 nan 0.000 0.470 26 I N 1.310 121.920 120.570 0.068 0.000 2.163 26 I HA -0.192 3.971 4.170 -0.012 0.000 0.240 26 I C 1.977 178.154 176.117 0.101 0.000 1.081 26 I CA 1.150 62.498 61.300 0.080 0.000 1.353 26 I CB -0.393 37.648 38.000 0.069 0.000 1.054 26 I HN -0.029 nan 8.210 nan 0.000 0.407 27 D N 0.394 120.847 120.400 0.089 0.000 2.350 27 D HA -0.083 4.550 4.640 -0.012 0.000 0.216 27 D C 2.038 178.413 176.300 0.125 0.000 0.968 27 D CA 0.981 55.056 54.000 0.125 0.000 0.894 27 D CB 0.394 41.258 40.800 0.107 0.000 0.909 27 D HN 0.350 nan 8.370 nan 0.000 0.520 28 A N 0.860 123.742 122.820 0.104 0.000 1.970 28 A HA -0.019 4.294 4.320 -0.012 0.000 0.216 28 A C 2.047 179.696 177.584 0.110 0.000 1.170 28 A CA 0.579 52.671 52.037 0.093 0.000 0.645 28 A CB -0.365 18.680 19.000 0.075 0.000 0.816 28 A HN 0.449 nan 8.150 nan 0.000 0.447 29 I N -2.398 118.259 120.570 0.146 0.000 3.805 29 I HA 0.240 4.403 4.170 -0.012 0.000 0.337 29 I C 1.161 177.442 176.117 0.274 0.000 1.539 29 I CA -0.326 61.087 61.300 0.189 0.000 1.176 29 I CB 0.087 38.224 38.000 0.228 0.000 1.248 29 I HN 0.260 nan 8.210 nan 0.000 0.437 30 R N 0.404 121.038 120.500 0.223 0.000 2.339 30 R HA 0.185 4.518 4.340 -0.012 0.000 0.199 30 R C 1.365 177.779 176.300 0.190 0.000 1.018 30 R CA 0.874 57.125 56.100 0.251 0.000 1.036 30 R CB -0.345 30.091 30.300 0.227 0.000 0.899 30 R HN 0.463 nan 8.270 nan 0.000 0.473 31 G N 1.291 110.175 108.800 0.141 0.000 2.510 31 G HA2 -0.134 3.819 3.960 -0.012 0.000 0.212 31 G HA3 -0.134 3.819 3.960 -0.012 0.000 0.212 31 G C 0.510 175.414 174.900 0.006 0.000 1.151 31 G CA 0.089 45.224 45.100 0.059 0.000 0.817 31 G HN 0.208 nan 8.290 nan 0.000 0.534 32 D N -0.110 120.250 120.400 -0.066 0.000 2.357 32 D HA -0.090 4.543 4.640 -0.012 0.000 0.216 32 D C 0.868 176.745 176.300 -0.705 0.000 0.973 32 D CA 0.996 54.733 54.000 -0.438 0.000 0.912 32 D CB -0.105 40.274 40.800 -0.702 0.000 0.900 32 D HN 0.602 nan 8.370 nan 0.000 0.501 33 Y N -1.466 118.857 120.300 0.037 0.000 2.515 33 Y HA 0.266 4.809 4.550 -0.012 0.000 0.267 33 Y C 1.790 177.695 175.900 0.008 0.000 1.058 33 Y CA -0.688 57.433 58.100 0.035 0.000 1.231 33 Y CB -0.161 38.335 38.460 0.061 0.000 1.350 33 Y HN -0.155 nan 8.280 nan 0.000 0.554 34 E N 1.507 121.782 120.200 0.126 0.000 2.048 34 E HA -0.172 4.171 4.350 -0.012 0.000 0.202 34 E C -0.037 176.567 176.600 0.006 0.000 1.021 34 E CA 1.339 57.755 56.400 0.027 0.000 0.825 34 E CB -0.016 29.678 29.700 -0.010 0.000 0.756 34 E HN 0.256 nan 8.360 nan 0.000 0.454 35 N N 0.703 119.405 118.700 0.003 0.000 2.800 35 N HA 0.192 4.925 4.740 -0.012 0.000 0.240 35 N C -1.220 174.291 175.510 0.002 0.000 1.096 35 N CA -0.090 52.959 53.050 -0.002 0.000 0.877 35 N CB 1.402 39.881 38.487 -0.014 0.000 1.138 35 N HN 0.093 nan 8.380 nan 0.000 0.509 36 L N 1.587 122.825 121.223 0.025 0.000 2.513 36 L HA 0.356 4.689 4.340 -0.012 0.000 0.261 36 L C -0.019 176.881 176.870 0.050 0.000 0.945 36 L CA -0.421 54.435 54.840 0.027 0.000 0.848 36 L CB 2.023 44.102 42.059 0.032 0.000 1.334 36 L HN 0.370 nan 8.230 nan 0.000 0.407 37 S N 2.136 117.856 115.700 0.034 0.000 2.563 37 S HA 0.024 4.487 4.470 -0.012 0.000 0.284 37 S C 0.710 175.353 174.600 0.070 0.000 1.331 37 S CA -0.096 58.129 58.200 0.041 0.000 1.047 37 S CB 0.778 63.986 63.200 0.014 0.000 0.859 37 S HN 0.660 nan 8.310 nan 0.000 0.514 38 D N 1.827 122.275 120.400 0.080 0.000 2.133 38 D HA -0.119 4.514 4.640 -0.012 0.000 0.195 38 D C 1.334 177.631 176.300 -0.005 0.000 0.997 38 D CA 1.753 55.808 54.000 0.092 0.000 0.840 38 D CB -0.431 40.393 40.800 0.039 0.000 0.947 38 D HN 0.691 nan 8.370 nan 0.000 0.452 39 D N 0.324 120.712 120.400 -0.020 0.000 2.103 39 D HA -0.158 4.475 4.640 -0.012 0.000 0.190 39 D C 2.024 178.341 176.300 0.027 0.000 0.997 39 D CA 1.794 55.779 54.000 -0.025 0.000 0.833 39 D CB -0.623 40.158 40.800 -0.031 0.000 0.961 39 D HN 0.195 nan 8.370 nan 0.000 0.447 40 A N 0.325 123.167 122.820 0.037 0.000 1.940 40 A HA -0.151 4.161 4.320 -0.012 0.000 0.219 40 A C 2.110 179.768 177.584 0.122 0.000 1.176 40 A CA 1.136 53.216 52.037 0.072 0.000 0.631 40 A CB -0.754 18.266 19.000 0.034 0.000 0.814 40 A HN 0.217 nan 8.150 nan 0.000 0.446 41 L N 0.147 121.449 121.223 0.131 0.000 1.955 41 L HA -0.171 4.162 4.340 -0.012 0.000 0.213 41 L C 2.274 179.240 176.870 0.160 0.000 1.072 41 L CA 2.430 57.386 54.840 0.193 0.000 0.755 41 L CB -0.740 41.486 42.059 0.278 0.000 0.888 41 L HN 0.374 nan 8.230 nan 0.000 0.432 42 K N -1.334 119.129 120.400 0.105 0.000 2.173 42 K HA -0.277 4.036 4.320 -0.012 0.000 0.207 42 K C 2.155 178.800 176.600 0.075 0.000 1.046 42 K CA 1.611 57.921 56.287 0.040 0.000 0.929 42 K CB -0.536 31.885 32.500 -0.131 0.000 0.720 42 K HN 0.587 nan 8.250 nan 0.000 0.453 43 H N 0.920 119.988 119.070 -0.004 0.000 2.502 43 H HA 0.040 4.589 4.556 -0.012 0.000 0.283 43 H C 1.497 176.792 175.328 -0.054 0.000 1.015 43 H CA 0.687 56.724 56.048 -0.020 0.000 1.298 43 H CB 0.481 30.225 29.762 -0.031 0.000 1.411 43 H HN -0.022 nan 8.280 nan 0.000 0.556 44 K N 0.309 120.634 120.400 -0.125 0.000 2.152 44 K HA -0.086 4.227 4.320 -0.012 0.000 0.206 44 K C 1.973 178.252 176.600 -0.536 0.000 1.048 44 K CA 1.188 57.251 56.287 -0.374 0.000 0.933 44 K CB -0.456 31.910 32.500 -0.222 0.000 0.721 44 K HN 0.326 nan 8.250 nan 0.000 0.447 45 T N 1.888 116.396 114.554 -0.077 0.000 2.720 45 T HA -0.104 4.239 4.350 -0.012 0.000 0.268 45 T C 1.979 176.719 174.700 0.067 0.000 1.037 45 T CA 1.100 63.342 62.100 0.236 0.000 1.144 45 T CB -0.075 68.969 68.868 0.292 0.000 0.864 45 T HN 0.173 nan 8.240 nan 0.000 0.444 46 I N 0.590 121.063 120.570 -0.162 0.000 2.333 46 I HA -0.074 4.089 4.170 -0.012 0.000 0.246 46 I C 2.652 178.648 176.117 -0.201 0.000 1.106 46 I CA 1.057 62.246 61.300 -0.185 0.000 1.411 46 I CB -0.384 37.443 38.000 -0.288 0.000 1.082 46 I HN 0.289 nan 8.210 nan 0.000 0.420 47 E N 0.796 120.762 120.200 -0.390 0.000 2.130 47 E HA -0.235 4.107 4.350 -0.012 0.000 0.196 47 E C 2.182 178.747 176.600 -0.058 0.000 0.998 47 E CA 1.546 57.798 56.400 -0.246 0.000 0.806 47 E CB -0.157 29.348 29.700 -0.325 0.000 0.738 47 E HN 0.504 nan 8.360 nan 0.000 0.459 48 F N 1.212 121.149 119.950 -0.020 0.000 2.060 48 F HA -0.156 4.364 4.527 -0.012 0.000 0.295 48 F C 2.569 178.356 175.800 -0.023 0.000 1.120 48 F CA 0.687 58.687 58.000 0.000 0.000 1.205 48 F CB -0.106 38.909 39.000 0.026 0.000 0.986 48 F HN -0.129 nan 8.300 nan 0.000 0.470 49 K N 0.478 120.979 120.400 0.168 0.000 2.059 49 K HA -0.232 4.081 4.320 -0.012 0.000 0.212 49 K C 1.751 178.382 176.600 0.051 0.000 1.050 49 K CA 1.866 58.195 56.287 0.070 0.000 0.927 49 K CB -0.457 32.064 32.500 0.034 0.000 0.714 49 K HN 0.391 nan 8.250 nan 0.000 0.447 50 E N 0.604 120.829 120.200 0.042 0.000 2.085 50 E HA -0.191 4.152 4.350 -0.012 0.000 0.194 50 E C 2.122 178.750 176.600 0.046 0.000 0.994 50 E CA 1.091 57.511 56.400 0.033 0.000 0.801 50 E CB -0.119 29.594 29.700 0.021 0.000 0.743 50 E HN 0.323 nan 8.360 nan 0.000 0.453 51 R N 0.436 120.980 120.500 0.073 0.000 2.148 51 R HA -0.018 4.315 4.340 -0.012 0.000 0.227 51 R C 2.531 178.864 176.300 0.055 0.000 1.103 51 R CA 0.517 56.662 56.100 0.075 0.000 0.983 51 R CB -0.177 30.194 30.300 0.119 0.000 0.874 51 R HN 0.149 nan 8.270 nan 0.000 0.451 52 L N 1.266 122.519 121.223 0.050 0.000 1.961 52 L HA -0.180 4.153 4.340 -0.012 0.000 0.210 52 L C 2.453 179.334 176.870 0.017 0.000 1.072 52 L CA 1.332 56.187 54.840 0.024 0.000 0.749 52 L CB -0.674 41.391 42.059 0.011 0.000 0.889 52 L HN 0.268 nan 8.230 nan 0.000 0.432 53 E N 1.010 121.219 120.200 0.015 0.000 2.515 53 E HA -0.201 4.142 4.350 -0.012 0.000 0.201 53 E C 1.088 177.696 176.600 0.014 0.000 1.071 53 E CA 0.933 57.340 56.400 0.011 0.000 0.880 53 E CB -0.211 29.494 29.700 0.009 0.000 0.828 53 E HN 0.430 nan 8.360 nan 0.000 0.540 54 K N -0.241 120.171 120.400 0.020 0.000 2.446 54 K HA 0.188 4.500 4.320 -0.012 0.000 0.203 54 K C 0.633 177.244 176.600 0.019 0.000 1.027 54 K CA 0.386 56.685 56.287 0.021 0.000 1.166 54 K CB 0.464 32.980 32.500 0.026 0.000 0.869 54 K HN 0.349 nan 8.250 nan 0.000 0.504 55 G N 0.745 109.555 108.800 0.016 0.000 2.436 55 G HA2 -0.235 3.718 3.960 -0.012 0.000 0.204 55 G HA3 -0.235 3.718 3.960 -0.012 0.000 0.204 55 G C 0.199 175.107 174.900 0.012 0.000 1.026 55 G CA -0.216 44.892 45.100 0.013 0.000 0.658 55 G HN 0.398 nan 8.290 nan 0.000 0.499 56 A N 1.357 124.187 122.820 0.017 0.000 2.498 56 A HA 0.596 4.909 4.320 -0.012 0.000 0.239 56 A C 0.920 178.506 177.584 0.003 0.000 1.068 56 A CA 1.484 53.529 52.037 0.014 0.000 0.766 56 A CB -0.011 19.005 19.000 0.026 0.000 1.003 56 A HN 1.562 nan 8.150 nan 0.000 0.497 57 T N -0.015 114.536 114.554 -0.004 0.000 2.934 57 T HA 0.431 4.774 4.350 -0.012 0.000 0.283 57 T C 1.414 176.101 174.700 -0.022 0.000 1.005 57 T CA 0.005 62.099 62.100 -0.009 0.000 1.041 57 T CB 0.900 69.763 68.868 -0.009 0.000 1.042 57 T HN 0.711 nan 8.240 nan 0.000 0.505 58 T N 0.373 114.917 114.554 -0.016 0.000 2.721 58 T HA -0.195 4.148 4.350 -0.012 0.000 0.268 58 T C 1.157 175.839 174.700 -0.029 0.000 1.038 58 T CA 1.703 63.781 62.100 -0.037 0.000 1.145 58 T CB -0.598 68.283 68.868 0.021 0.000 0.858 58 T HN 0.634 nan 8.240 nan 0.000 0.459 59 D N 1.413 121.828 120.400 0.026 0.000 2.117 59 D HA -0.046 4.587 4.640 -0.012 0.000 0.198 59 D C 1.908 178.171 176.300 -0.062 0.000 0.982 59 D CA 0.927 54.930 54.000 0.006 0.000 0.828 59 D CB -0.606 40.179 40.800 -0.025 0.000 0.967 59 D HN 0.303 nan 8.370 nan 0.000 0.464 60 D N -0.148 120.224 120.400 -0.047 0.000 2.228 60 D HA -0.105 4.527 4.640 -0.012 0.000 0.203 60 D C 1.590 177.854 176.300 -0.060 0.000 0.988 60 D CA 0.636 54.613 54.000 -0.039 0.000 0.864 60 D CB -0.049 40.742 40.800 -0.014 0.000 0.928 60 D HN 0.287 nan 8.370 nan 0.000 0.469 61 L N -0.169 120.981 121.223 -0.120 0.000 2.640 61 L HA 0.222 4.554 4.340 -0.012 0.000 0.230 61 L C 2.008 178.690 176.870 -0.313 0.000 1.123 61 L CA -0.185 54.536 54.840 -0.197 0.000 0.900 61 L CB 0.082 41.960 42.059 -0.302 0.000 1.146 61 L HN 0.029 nan 8.230 nan 0.000 0.484 62 L N 0.780 121.814 121.223 -0.316 0.000 1.963 62 L HA -0.269 4.063 4.340 -0.012 0.000 0.220 62 L C 2.708 179.267 176.870 -0.519 0.000 1.076 62 L CA 2.376 56.898 54.840 -0.529 0.000 0.772 62 L CB -0.160 41.608 42.059 -0.486 0.000 0.892 62 L HN 0.242 nan 8.230 nan 0.000 0.435 63 V N -1.866 117.874 119.914 -0.290 0.000 2.250 63 V HA -0.345 3.768 4.120 -0.012 0.000 0.250 63 V C 2.178 178.251 176.094 -0.035 0.000 1.060 63 V CA 2.364 64.583 62.300 -0.135 0.000 1.030 63 V CB -1.358 30.443 31.823 -0.037 0.000 0.643 63 V HN 0.634 nan 8.190 nan 0.000 0.445 64 E N 1.625 121.832 120.200 0.013 0.000 2.028 64 E HA -0.060 4.283 4.350 -0.012 0.000 0.191 64 E C 2.482 179.139 176.600 0.095 0.000 0.988 64 E CA 1.185 57.687 56.400 0.170 0.000 0.799 64 E CB -0.569 29.369 29.700 0.396 0.000 0.755 64 E HN 0.655 nan 8.360 nan 0.000 0.447 65 A N 1.686 124.383 122.820 -0.205 0.000 1.884 65 A HA -0.237 4.076 4.320 -0.012 0.000 0.219 65 A C 2.089 179.749 177.584 0.127 0.000 1.197 65 A CA 1.593 53.487 52.037 -0.238 0.000 0.637 65 A CB -1.204 17.590 19.000 -0.342 0.000 0.827 65 A HN 0.256 nan 8.150 nan 0.000 0.450 66 F N -0.272 119.590 119.950 -0.148 0.000 2.069 66 F HA -0.216 4.304 4.527 -0.012 0.000 0.298 66 F C 3.002 178.671 175.800 -0.217 0.000 1.113 66 F CA 0.536 58.437 58.000 -0.165 0.000 1.214 66 F CB -0.376 38.535 39.000 -0.149 0.000 0.978 66 F HN 0.350 nan 8.300 nan 0.000 0.474 67 A N 0.398 123.215 122.820 -0.005 0.000 1.896 67 A HA -0.264 4.049 4.320 -0.012 0.000 0.220 67 A C 2.180 179.520 177.584 -0.408 0.000 1.206 67 A CA 2.488 54.393 52.037 -0.219 0.000 0.647 67 A CB -1.399 17.412 19.000 -0.314 0.000 0.828 67 A HN 0.217 nan 8.150 nan 0.000 0.455 68 V N -0.484 119.172 119.914 -0.430 0.000 2.392 68 V HA -0.252 3.861 4.120 -0.012 0.000 0.249 68 V C 2.527 178.469 176.094 -0.254 0.000 1.059 68 V CA 2.017 64.120 62.300 -0.328 0.000 1.051 68 V CB -0.932 30.891 31.823 0.001 0.000 0.658 68 V HN 0.408 nan 8.190 nan 0.000 0.455 69 V N -0.546 119.190 119.914 -0.297 0.000 2.323 69 V HA -0.183 3.929 4.120 -0.012 0.000 0.244 69 V C 2.618 178.532 176.094 -0.301 0.000 1.041 69 V CA 1.733 63.812 62.300 -0.367 0.000 1.025 69 V CB -0.796 30.782 31.823 -0.409 0.000 0.656 69 V HN 0.391 nan 8.190 nan 0.000 0.451 70 R N -0.163 120.171 120.500 -0.277 0.000 2.119 70 R HA -0.261 4.072 4.340 -0.012 0.000 0.246 70 R C 2.354 178.641 176.300 -0.021 0.000 1.146 70 R CA 2.158 58.087 56.100 -0.284 0.000 0.962 70 R CB -0.295 29.769 30.300 -0.393 0.000 0.863 70 R HN 0.573 nan 8.270 nan 0.000 0.442 71 E N 0.158 120.363 120.200 0.007 0.000 2.015 71 E HA -0.078 4.264 4.350 -0.012 0.000 0.191 71 E C 1.804 178.332 176.600 -0.121 0.000 0.991 71 E CA 1.567 57.992 56.400 0.041 0.000 0.802 71 E CB -0.289 29.417 29.700 0.010 0.000 0.759 71 E HN 0.288 nan 8.360 nan 0.000 0.447 72 A N 0.401 123.078 122.820 -0.238 0.000 1.948 72 A HA -0.267 4.046 4.320 -0.012 0.000 0.220 72 A C 2.382 179.666 177.584 -0.499 0.000 1.177 72 A CA 2.703 54.443 52.037 -0.494 0.000 0.636 72 A CB -1.152 17.567 19.000 -0.467 0.000 0.815 72 A HN 0.448 nan 8.150 nan 0.000 0.449 73 S N -0.361 115.140 115.700 -0.332 0.000 2.402 73 S HA -0.198 4.265 4.470 -0.012 0.000 0.229 73 S C 1.985 176.462 174.600 -0.205 0.000 1.021 73 S CA 1.213 59.244 58.200 -0.282 0.000 0.974 73 S CB -0.451 62.596 63.200 -0.254 0.000 0.800 73 S HN 0.656 nan 8.310 nan 0.000 0.484 74 R N 1.450 121.873 120.500 -0.128 0.000 2.152 74 R HA 0.035 4.368 4.340 -0.012 0.000 0.232 74 R C 2.507 178.725 176.300 -0.137 0.000 1.117 74 R CA 1.104 57.150 56.100 -0.089 0.000 0.981 74 R CB -0.086 30.181 30.300 -0.054 0.000 0.870 74 R HN 0.471 nan 8.270 nan 0.000 0.451 75 R N -0.576 119.799 120.500 -0.208 0.000 2.062 75 R HA 0.007 4.339 4.340 -0.012 0.000 0.226 75 R C 2.247 178.431 176.300 -0.194 0.000 1.125 75 R CA 1.276 57.253 56.100 -0.206 0.000 0.966 75 R CB -0.172 29.942 30.300 -0.311 0.000 0.861 75 R HN 0.081 nan 8.270 nan 0.000 0.433 76 V N 0.798 120.540 119.914 -0.286 0.000 2.323 76 V HA -0.132 3.981 4.120 -0.012 0.000 0.244 76 V C 1.990 178.006 176.094 -0.131 0.000 1.041 76 V CA 2.216 64.393 62.300 -0.204 0.000 1.025 76 V CB -0.302 31.356 31.823 -0.274 0.000 0.656 76 V HN 0.519 nan 8.190 nan 0.000 0.451 77 T N -3.691 110.777 114.554 -0.143 0.000 3.043 77 T HA 0.422 4.764 4.350 -0.012 0.000 0.272 77 T C 1.415 176.064 174.700 -0.086 0.000 0.990 77 T CA 0.632 62.670 62.100 -0.104 0.000 0.897 77 T CB 0.870 69.669 68.868 -0.115 0.000 1.111 77 T HN 0.864 nan 8.240 nan 0.000 0.529 78 G N 1.906 110.651 108.800 -0.092 0.000 2.155 78 G HA2 -0.265 3.688 3.960 -0.012 0.000 0.257 78 G HA3 -0.265 3.688 3.960 -0.012 0.000 0.257 78 G C -0.055 174.805 174.900 -0.068 0.000 0.983 78 G CA 0.384 45.441 45.100 -0.072 0.000 0.676 78 G HN 0.578 nan 8.290 nan 0.000 0.528 79 M N -0.244 119.304 119.600 -0.086 0.000 2.167 79 M HA 0.569 5.042 4.480 -0.012 0.000 0.333 79 M C -0.882 175.367 176.300 -0.086 0.000 1.030 79 M CA -0.810 54.428 55.300 -0.103 0.000 0.963 79 M CB 1.423 33.947 32.600 -0.128 0.000 1.589 79 M HN 0.101 nan 8.290 nan 0.000 0.431 80 F N 6.106 125.874 119.950 -0.303 0.000 2.293 80 F HA 0.518 5.038 4.527 -0.012 0.000 0.370 80 F C -2.165 173.352 175.800 -0.471 0.000 1.090 80 F CA -2.550 55.261 58.000 -0.315 0.000 1.133 80 F CB 0.647 39.498 39.000 -0.249 0.000 1.360 80 F HN 0.339 nan 8.300 nan 0.000 0.489 81 P HA -0.119 nan 4.420 nan 0.000 0.269 81 P C -0.843 176.038 177.300 -0.699 0.000 1.185 81 P CA 0.797 63.515 63.100 -0.637 0.000 0.769 81 P CB 0.320 31.717 31.700 -0.506 0.000 0.809 82 F N 0.741 120.567 119.950 -0.207 0.000 2.380 82 F HA 0.297 4.817 4.527 -0.012 0.000 0.321 82 F C 1.958 177.673 175.800 -0.142 0.000 1.103 82 F CA -0.435 57.480 58.000 -0.141 0.000 1.067 82 F CB 0.397 39.353 39.000 -0.074 0.000 1.265 82 F HN 0.220 nan 8.300 nan 0.000 0.517 83 K N 0.414 120.877 120.400 0.105 0.000 2.089 83 K HA -0.169 4.144 4.320 -0.012 0.000 0.210 83 K C 1.877 178.504 176.600 0.044 0.000 1.048 83 K CA 1.626 57.940 56.287 0.045 0.000 0.926 83 K CB -0.595 31.943 32.500 0.063 0.000 0.714 83 K HN 0.431 nan 8.250 nan 0.000 0.448 84 V N 1.975 121.929 119.914 0.068 0.000 2.255 84 V HA -0.305 3.808 4.120 -0.012 0.000 0.247 84 V C 2.454 178.561 176.094 0.023 0.000 1.051 84 V CA 1.811 64.136 62.300 0.043 0.000 1.018 84 V CB -0.519 31.317 31.823 0.021 0.000 0.641 84 V HN 0.393 nan 8.190 nan 0.000 0.445 85 Q N -0.670 119.148 119.800 0.030 0.000 2.077 85 Q HA -0.256 4.077 4.340 -0.012 0.000 0.206 85 Q C 2.286 178.218 176.000 -0.114 0.000 0.989 85 Q CA 1.950 57.729 55.803 -0.039 0.000 0.853 85 Q CB -0.366 28.346 28.738 -0.044 0.000 0.907 85 Q HN 0.541 nan 8.270 nan 0.000 0.418 86 L N -0.119 121.034 121.223 -0.117 0.000 2.079 86 L HA -0.226 4.107 4.340 -0.012 0.000 0.210 86 L C 2.476 179.336 176.870 -0.016 0.000 1.081 86 L CA 1.137 55.910 54.840 -0.111 0.000 0.752 86 L CB -0.316 41.714 42.059 -0.049 0.000 0.896 86 L HN 0.323 nan 8.230 nan 0.000 0.433 87 M N -1.014 118.587 119.600 0.002 0.000 2.132 87 M HA -0.117 4.356 4.480 -0.012 0.000 0.263 87 M C 2.383 178.668 176.300 -0.025 0.000 1.065 87 M CA 1.850 57.163 55.300 0.023 0.000 1.122 87 M CB -0.971 31.685 32.600 0.093 0.000 1.365 87 M HN 0.380 nan 8.290 nan 0.000 0.411 88 G N 0.111 108.900 108.800 -0.018 0.000 2.422 88 G HA2 -0.141 3.811 3.960 -0.012 0.000 0.218 88 G HA3 -0.141 3.811 3.960 -0.012 0.000 0.218 88 G C 1.492 176.358 174.900 -0.056 0.000 1.146 88 G CA 1.020 46.106 45.100 -0.024 0.000 0.769 88 G HN 0.554 nan 8.290 nan 0.000 0.547 89 G N 0.749 109.494 108.800 -0.092 0.000 2.514 89 G HA2 -0.231 3.722 3.960 -0.012 0.000 0.217 89 G HA3 -0.231 3.722 3.960 -0.012 0.000 0.217 89 G C 1.821 176.786 174.900 0.109 0.000 1.198 89 G CA 1.616 46.661 45.100 -0.092 0.000 0.780 89 G HN 0.339 nan 8.290 nan 0.000 0.565 90 V N 1.829 121.795 119.914 0.087 0.000 2.324 90 V HA -0.196 3.917 4.120 -0.012 0.000 0.250 90 V C 3.345 179.211 176.094 -0.380 0.000 1.060 90 V CA 2.156 64.346 62.300 -0.184 0.000 1.042 90 V CB -1.229 30.226 31.823 -0.614 0.000 0.650 90 V HN 0.525 nan 8.190 nan 0.000 0.450 91 A N 0.291 122.831 122.820 -0.466 0.000 1.873 91 A HA -0.211 4.102 4.320 -0.012 0.000 0.218 91 A C 2.223 179.833 177.584 0.045 0.000 1.193 91 A CA 2.218 54.229 52.037 -0.044 0.000 0.629 91 A CB -0.720 18.380 19.000 0.168 0.000 0.826 91 A HN 0.517 nan 8.150 nan 0.000 0.447 92 L N -1.421 119.829 121.223 0.046 0.000 2.129 92 L HA -0.258 4.075 4.340 -0.012 0.000 0.212 92 L C 2.646 179.645 176.870 0.214 0.000 1.087 92 L CA 1.879 56.783 54.840 0.108 0.000 0.757 92 L CB -0.822 41.296 42.059 0.099 0.000 0.896 92 L HN 0.686 nan 8.230 nan 0.000 0.434 93 H N 0.005 119.093 119.070 0.031 0.000 2.403 93 H HA -0.141 4.408 4.556 -0.012 0.000 0.298 93 H C 1.318 176.615 175.328 -0.051 0.000 1.059 93 H CA 1.174 57.187 56.048 -0.059 0.000 1.363 93 H CB 0.383 30.091 29.762 -0.089 0.000 1.410 93 H HN 0.277 nan 8.280 nan 0.000 0.528 94 D N -0.300 120.062 120.400 -0.063 0.000 2.378 94 D HA 0.054 4.687 4.640 -0.012 0.000 0.222 94 D C 0.898 177.194 176.300 -0.007 0.000 0.980 94 D CA 1.064 55.015 54.000 -0.082 0.000 0.907 94 D CB -0.081 40.765 40.800 0.077 0.000 0.899 94 D HN 0.637 nan 8.370 nan 0.000 0.527 95 G N 0.741 109.575 108.800 0.058 0.000 2.370 95 G HA2 -0.222 3.730 3.960 -0.012 0.000 0.268 95 G HA3 -0.222 3.730 3.960 -0.012 0.000 0.268 95 G C -0.280 174.638 174.900 0.029 0.000 1.122 95 G CA -0.452 44.695 45.100 0.078 0.000 0.963 95 G HN 0.187 nan 8.290 nan 0.000 0.500 96 N N -1.105 117.605 118.700 0.016 0.000 2.629 96 N HA 0.653 5.386 4.740 -0.012 0.000 0.279 96 N C -0.512 174.930 175.510 -0.113 0.000 1.344 96 N CA -0.840 52.190 53.050 -0.034 0.000 0.789 96 N CB 1.091 39.588 38.487 0.016 0.000 1.508 96 N HN 0.059 nan 8.380 nan 0.000 0.516 97 I N 1.307 121.752 120.570 -0.209 0.000 2.291 97 I HA 0.255 4.418 4.170 -0.012 0.000 0.292 97 I C 0.323 176.325 176.117 -0.192 0.000 1.064 97 I CA -0.231 60.880 61.300 -0.315 0.000 1.269 97 I CB 0.305 37.919 38.000 -0.644 0.000 1.418 97 I HN 0.495 nan 8.210 nan 0.000 0.485 98 A N 6.331 129.074 122.820 -0.130 0.000 2.350 98 A HA 0.265 4.578 4.320 -0.012 0.000 0.293 98 A C 0.314 177.846 177.584 -0.087 0.000 1.231 98 A CA -0.386 51.609 52.037 -0.070 0.000 0.883 98 A CB -0.127 18.849 19.000 -0.040 0.000 1.133 98 A HN 0.689 nan 8.150 nan 0.000 0.533 99 E N 3.545 123.699 120.200 -0.077 0.000 2.046 99 E HA 0.458 4.800 4.350 -0.012 0.000 0.279 99 E C -1.011 175.562 176.600 -0.044 0.000 0.989 99 E CA -0.123 56.236 56.400 -0.068 0.000 0.798 99 E CB 0.366 30.023 29.700 -0.070 0.000 1.086 99 E HN 0.695 nan 8.360 nan 0.000 0.399 100 M N 4.104 123.680 119.600 -0.039 0.000 2.134 100 M HA 0.263 4.736 4.480 -0.012 0.000 0.310 100 M C -0.508 175.775 176.300 -0.027 0.000 0.966 100 M CA -1.040 54.242 55.300 -0.030 0.000 0.922 100 M CB 1.681 34.264 32.600 -0.028 0.000 1.537 100 M HN 0.156 nan 8.290 nan 0.000 0.424 101 K N 2.187 122.572 120.400 -0.024 0.000 2.513 101 K HA -0.061 4.251 4.320 -0.012 0.000 0.275 101 K C 0.345 176.935 176.600 -0.017 0.000 1.025 101 K CA 0.617 56.893 56.287 -0.019 0.000 1.125 101 K CB 0.191 32.679 32.500 -0.019 0.000 0.843 101 K HN 0.661 nan 8.250 nan 0.000 0.486 102 T N 2.557 117.106 114.554 -0.009 0.000 2.708 102 T HA 0.278 4.621 4.350 -0.012 0.000 0.271 102 T C 1.025 175.722 174.700 -0.006 0.000 0.985 102 T CA 1.092 63.189 62.100 -0.005 0.000 1.229 102 T CB -0.623 68.247 68.868 0.004 0.000 0.934 102 T HN 0.739 nan 8.240 nan 0.000 0.522 103 G N 3.436 112.231 108.800 -0.008 0.000 2.977 103 G HA2 -0.094 3.859 3.960 -0.012 0.000 0.211 103 G HA3 -0.094 3.859 3.960 -0.012 0.000 0.211 103 G C 0.136 175.029 174.900 -0.012 0.000 0.994 103 G CA 0.114 45.209 45.100 -0.008 0.000 0.795 103 G HN 0.702 nan 8.290 nan 0.000 0.518 104 E N 0.023 120.213 120.200 -0.016 0.000 4.616 104 E HA 0.567 4.910 4.350 -0.012 0.000 0.487 104 E C 1.181 177.790 176.600 0.014 0.000 1.290 104 E CA 0.784 57.177 56.400 -0.011 0.000 3.081 104 E CB 0.160 29.849 29.700 -0.019 0.000 1.792 104 E HN 0.511 nan 8.360 nan 0.000 0.672 105 G N 0.160 108.974 108.800 0.024 0.000 4.713 105 G HA2 0.157 4.110 3.960 -0.012 0.000 0.318 105 G HA3 0.157 4.110 3.960 -0.012 0.000 0.318 105 G C -0.067 174.822 174.900 -0.019 0.000 1.435 105 G CA -0.344 44.764 45.100 0.013 0.000 0.965 105 G HN 0.186 nan 8.290 nan 0.000 0.542 106 K N -0.014 120.371 120.400 -0.024 0.000 2.057 106 K HA -0.076 4.237 4.320 -0.012 0.000 0.206 106 K C 2.414 178.991 176.600 -0.039 0.000 1.050 106 K CA 1.567 57.831 56.287 -0.038 0.000 0.935 106 K CB 0.046 32.523 32.500 -0.039 0.000 0.715 106 K HN 0.317 nan 8.250 nan 0.000 0.439 107 T N 1.844 116.382 114.554 -0.027 0.000 2.849 107 T HA -0.131 4.211 4.350 -0.012 0.000 0.270 107 T C 1.622 176.303 174.700 -0.031 0.000 1.066 107 T CA 0.944 63.037 62.100 -0.012 0.000 1.130 107 T CB -0.069 68.798 68.868 -0.001 0.000 0.864 107 T HN 0.074 nan 8.240 nan 0.000 0.481 108 L N 0.853 122.037 121.223 -0.066 0.000 2.130 108 L HA 0.154 4.487 4.340 -0.012 0.000 0.200 108 L C 2.460 179.241 176.870 -0.149 0.000 1.075 108 L CA 1.692 56.460 54.840 -0.121 0.000 0.768 108 L CB -1.344 40.641 42.059 -0.123 0.000 0.933 108 L HN 0.052 nan 8.230 nan 0.000 0.451 109 T N 0.048 114.526 114.554 -0.127 0.000 2.685 109 T HA -0.240 4.103 4.350 -0.012 0.000 0.268 109 T C 2.030 176.635 174.700 -0.158 0.000 1.034 109 T CA 2.001 64.006 62.100 -0.159 0.000 1.149 109 T CB -0.650 68.153 68.868 -0.107 0.000 0.860 109 T HN 0.686 nan 8.240 nan 0.000 0.449 110 S N 1.147 116.799 115.700 -0.080 0.000 2.400 110 S HA -0.186 4.277 4.470 -0.012 0.000 0.232 110 S C 2.075 176.703 174.600 0.047 0.000 1.025 110 S CA 1.711 59.904 58.200 -0.012 0.000 0.993 110 S CB -1.188 62.025 63.200 0.022 0.000 0.808 110 S HN 0.509 nan 8.310 nan 0.000 0.478 111 T N 3.200 117.748 114.554 -0.010 0.000 2.699 111 T HA -0.070 4.273 4.350 -0.012 0.000 0.268 111 T C 1.616 176.338 174.700 0.037 0.000 1.036 111 T CA 1.765 63.871 62.100 0.011 0.000 1.147 111 T CB -0.684 68.001 68.868 -0.304 0.000 0.862 111 T HN 0.296 nan 8.240 nan 0.000 0.446 112 L N 1.406 122.487 121.223 -0.237 0.000 1.990 112 L HA -0.082 4.250 4.340 -0.012 0.000 0.213 112 L C -0.196 176.649 176.870 -0.042 0.000 1.072 112 L CA 1.925 56.482 54.840 -0.471 0.000 0.755 112 L CB -1.778 39.366 42.059 -1.526 0.000 0.889 112 L HN 0.264 nan 8.230 nan 0.000 0.432 113 P HA -0.080 nan 4.420 nan 0.000 0.221 113 P C 1.992 179.353 177.300 0.101 0.000 1.155 113 P CA 1.013 64.195 63.100 0.137 0.000 0.812 113 P CB 0.154 31.953 31.700 0.164 0.000 0.801 114 V N -1.076 118.967 119.914 0.214 0.000 2.626 114 V HA -0.215 3.898 4.120 -0.012 0.000 0.252 114 V C 2.366 178.562 176.094 0.171 0.000 1.067 114 V CA 1.461 63.901 62.300 0.233 0.000 1.081 114 V CB -1.188 30.797 31.823 0.269 0.000 0.686 114 V HN -0.036 nan 8.190 nan 0.000 0.468 115 Y N 0.221 120.633 120.300 0.187 0.000 2.163 115 Y HA -0.056 4.487 4.550 -0.012 0.000 0.288 115 Y C 2.133 178.051 175.900 0.030 0.000 1.112 115 Y CA 2.000 60.209 58.100 0.182 0.000 1.104 115 Y CB -0.507 38.120 38.460 0.278 0.000 1.016 115 Y HN 0.251 nan 8.280 nan 0.000 0.497 116 L N 1.560 122.794 121.223 0.017 0.000 2.137 116 L HA -0.291 4.042 4.340 -0.012 0.000 0.213 116 L C 1.577 178.241 176.870 -0.343 0.000 1.085 116 L CA 2.148 56.846 54.840 -0.238 0.000 0.760 116 L CB -1.107 40.810 42.059 -0.236 0.000 0.893 116 L HN 0.422 nan 8.230 nan 0.000 0.434 117 N N -0.669 117.851 118.700 -0.300 0.000 2.336 117 N HA 0.021 4.753 4.740 -0.012 0.000 0.177 117 N C 1.614 177.057 175.510 -0.112 0.000 1.018 117 N CA 0.946 53.833 53.050 -0.273 0.000 0.878 117 N CB -0.018 38.173 38.487 -0.493 0.000 0.997 117 N HN 0.481 nan 8.380 nan 0.000 0.433 118 A N 1.160 123.906 122.820 -0.123 0.000 2.248 118 A HA 0.030 4.343 4.320 -0.012 0.000 0.210 118 A C 1.458 178.962 177.584 -0.133 0.000 1.174 118 A CA 0.361 52.349 52.037 -0.082 0.000 0.750 118 A CB -0.523 18.398 19.000 -0.130 0.000 0.780 118 A HN 0.199 nan 8.150 nan 0.000 0.478 119 L N 0.477 121.572 121.223 -0.213 0.000 2.873 119 L HA 0.102 4.435 4.340 -0.012 0.000 0.252 119 L C 0.239 177.057 176.870 -0.086 0.000 1.266 119 L CA 0.233 54.960 54.840 -0.190 0.000 1.111 119 L CB -0.573 41.327 42.059 -0.264 0.000 1.440 119 L HN 0.259 nan 8.230 nan 0.000 0.427 120 T N -2.515 112.008 114.554 -0.051 0.000 3.732 120 T HA 0.106 4.448 4.350 -0.012 0.000 0.317 120 T C 1.199 175.877 174.700 -0.038 0.000 0.896 120 T CA 0.017 62.094 62.100 -0.038 0.000 0.976 120 T CB 0.861 69.705 68.868 -0.040 0.000 1.195 120 T HN 0.372 nan 8.240 nan 0.000 0.594 121 G N 2.786 111.574 108.800 -0.021 0.000 2.380 121 G HA2 -0.377 3.576 3.960 -0.012 0.000 0.298 121 G HA3 -0.377 3.576 3.960 -0.012 0.000 0.298 121 G C 0.774 175.667 174.900 -0.011 0.000 0.989 121 G CA 1.118 46.215 45.100 -0.005 0.000 0.836 121 G HN 0.578 nan 8.290 nan 0.000 0.511 122 K N -0.055 120.313 120.400 -0.054 0.000 2.426 122 K HA 0.393 4.706 4.320 -0.012 0.000 0.193 122 K C 1.298 177.922 176.600 0.040 0.000 1.028 122 K CA 0.385 56.570 56.287 -0.170 0.000 1.047 122 K CB 0.318 32.404 32.500 -0.689 0.000 0.821 122 K HN 1.382 nan 8.250 nan 0.000 0.513 123 G N 0.720 109.639 108.800 0.199 0.000 2.907 123 G HA2 -0.130 3.823 3.960 -0.012 0.000 0.686 123 G HA3 -0.130 3.823 3.960 -0.012 0.000 0.686 123 G C -1.011 174.180 174.900 0.485 0.000 1.115 123 G CA -1.091 44.199 45.100 0.316 0.000 0.760 123 G HN -0.023 nan 8.290 nan 0.000 0.620 124 V N 3.919 124.015 119.914 0.303 0.000 2.559 124 V HA 0.437 4.550 4.120 -0.012 0.000 0.289 124 V C -0.595 175.557 176.094 0.097 0.000 1.036 124 V CA -1.031 61.446 62.300 0.295 0.000 0.887 124 V CB 1.729 33.671 31.823 0.199 0.000 1.022 124 V HN 0.924 nan 8.190 nan 0.000 0.442 125 H N 2.909 121.980 119.070 0.002 0.000 2.517 125 H HA 0.606 5.155 4.556 -0.012 0.000 0.317 125 H C -0.254 174.906 175.328 -0.280 0.000 1.080 125 H CA -0.555 55.434 56.048 -0.099 0.000 1.301 125 H CB 1.763 31.554 29.762 0.048 0.000 1.425 125 H HN 0.348 nan 8.280 nan 0.000 0.471 126 V N 5.051 124.781 119.914 -0.307 0.000 2.275 126 V HA 0.127 4.240 4.120 -0.012 0.000 0.272 126 V C -0.236 175.570 176.094 -0.480 0.000 1.028 126 V CA -0.648 61.357 62.300 -0.492 0.000 0.810 126 V CB 1.315 32.624 31.823 -0.857 0.000 1.043 126 V HN 0.519 nan 8.190 nan 0.000 0.453 127 V N 5.710 125.424 119.914 -0.334 0.000 2.465 127 V HA 0.619 4.732 4.120 -0.012 0.000 0.279 127 V C 0.391 176.345 176.094 -0.233 0.000 1.045 127 V CA 0.446 62.605 62.300 -0.236 0.000 0.938 127 V CB 2.029 33.748 31.823 -0.173 0.000 0.986 127 V HN 0.930 nan 8.190 nan 0.000 0.467 128 T N 4.988 119.447 114.554 -0.159 0.000 2.940 128 T HA 0.337 4.680 4.350 -0.012 0.000 0.288 128 T C 1.064 175.717 174.700 -0.078 0.000 1.045 128 T CA 0.131 62.159 62.100 -0.119 0.000 1.018 128 T CB 1.714 70.531 68.868 -0.085 0.000 1.151 128 T HN 0.787 nan 8.240 nan 0.000 0.529 129 V N -0.379 119.494 119.914 -0.067 0.000 2.427 129 V HA 0.052 4.165 4.120 -0.012 0.000 0.248 129 V C 0.580 176.653 176.094 -0.035 0.000 1.051 129 V CA 1.261 63.537 62.300 -0.039 0.000 1.048 129 V CB -1.210 30.595 31.823 -0.031 0.000 0.666 129 V HN 0.918 nan 8.190 nan 0.000 0.456 130 N N -1.759 116.892 118.700 -0.082 0.000 2.405 130 N HA 0.292 5.025 4.740 -0.012 0.000 0.285 130 N C 0.328 175.827 175.510 -0.019 0.000 1.262 130 N CA -0.500 52.490 53.050 -0.101 0.000 0.773 130 N CB 1.218 39.426 38.487 -0.465 0.000 1.490 130 N HN 0.098 nan 8.380 nan 0.000 0.486 131 E N -0.517 119.719 120.200 0.059 0.000 2.085 131 E HA -0.258 4.084 4.350 -0.012 0.000 0.194 131 E C 0.729 177.396 176.600 0.111 0.000 0.994 131 E CA 1.362 57.821 56.400 0.098 0.000 0.801 131 E CB -0.315 29.464 29.700 0.132 0.000 0.743 131 E HN 0.650 nan 8.360 nan 0.000 0.453 132 Y N 1.776 122.099 120.300 0.037 0.000 2.036 132 Y HA -0.257 4.285 4.550 -0.012 0.000 0.273 132 Y C 2.162 178.082 175.900 0.033 0.000 1.135 132 Y CA 1.573 59.706 58.100 0.056 0.000 1.106 132 Y CB -0.666 37.857 38.460 0.105 0.000 0.976 132 Y HN -0.084 nan 8.280 nan 0.000 0.483 133 L N 0.133 121.255 121.223 -0.169 0.000 2.021 133 L HA -0.354 3.979 4.340 -0.012 0.000 0.215 133 L C 2.762 179.528 176.870 -0.173 0.000 1.074 133 L CA 1.619 56.300 54.840 -0.265 0.000 0.760 133 L CB -1.117 40.918 42.059 -0.041 0.000 0.889 133 L HN 0.534 nan 8.230 nan 0.000 0.433 134 A N -1.419 121.367 122.820 -0.058 0.000 1.933 134 A HA -0.221 4.091 4.320 -0.012 0.000 0.218 134 A C 2.453 180.096 177.584 0.098 0.000 1.175 134 A CA 2.018 54.089 52.037 0.058 0.000 0.628 134 A CB -0.568 18.460 19.000 0.048 0.000 0.814 134 A HN 0.422 nan 8.150 nan 0.000 0.444 135 S N -0.662 115.020 115.700 -0.029 0.000 2.406 135 S HA -0.218 4.245 4.470 -0.012 0.000 0.211 135 S C 2.180 176.695 174.600 -0.142 0.000 1.045 135 S CA 1.543 59.709 58.200 -0.057 0.000 1.058 135 S CB -0.464 62.709 63.200 -0.045 0.000 1.044 135 S HN 0.653 nan 8.310 nan 0.000 0.413 136 R N 0.846 121.169 120.500 -0.296 0.000 2.224 136 R HA -0.260 4.072 4.340 -0.012 0.000 0.251 136 R C 1.696 177.894 176.300 -0.170 0.000 1.123 136 R CA 2.706 58.635 56.100 -0.285 0.000 0.944 136 R CB -1.195 28.791 30.300 -0.523 0.000 0.910 136 R HN 0.410 nan 8.270 nan 0.000 0.440 137 D N -0.289 120.042 120.400 -0.115 0.000 2.137 137 D HA -0.217 4.416 4.640 -0.012 0.000 0.189 137 D C 1.888 178.101 176.300 -0.146 0.000 0.998 137 D CA 2.302 56.309 54.000 0.011 0.000 0.839 137 D CB -0.567 40.382 40.800 0.247 0.000 0.962 137 D HN 0.518 nan 8.370 nan 0.000 0.446 138 A N 0.532 123.096 122.820 -0.426 0.000 1.927 138 A HA -0.325 3.988 4.320 -0.012 0.000 0.220 138 A C 2.107 179.436 177.584 -0.423 0.000 1.185 138 A CA 2.324 53.758 52.037 -1.005 0.000 0.639 138 A CB -0.776 17.721 19.000 -0.839 0.000 0.820 138 A HN 0.381 nan 8.150 nan 0.000 0.451 139 E N -0.593 119.465 120.200 -0.236 0.000 2.007 139 E HA -0.256 4.087 4.350 -0.012 0.000 0.194 139 E C 2.303 178.835 176.600 -0.113 0.000 0.999 139 E CA 1.524 57.842 56.400 -0.136 0.000 0.811 139 E CB -0.205 29.441 29.700 -0.091 0.000 0.762 139 E HN 0.800 nan 8.360 nan 0.000 0.450 140 Q N -0.282 119.454 119.800 -0.108 0.000 2.002 140 Q HA -0.179 4.153 4.340 -0.012 0.000 0.204 140 Q C 2.021 177.952 176.000 -0.115 0.000 0.988 140 Q CA 1.572 57.320 55.803 -0.091 0.000 0.843 140 Q CB -0.184 28.509 28.738 -0.075 0.000 0.908 140 Q HN 0.230 nan 8.270 nan 0.000 0.420 141 M N 0.347 119.871 119.600 -0.126 0.000 2.659 141 M HA 0.053 4.526 4.480 -0.012 0.000 0.243 141 M C 1.408 177.585 176.300 -0.204 0.000 1.111 141 M CA 0.487 55.682 55.300 -0.175 0.000 1.070 141 M CB -0.006 32.548 32.600 -0.077 0.000 1.525 141 M HN 0.270 nan 8.290 nan 0.000 0.517 142 G N -0.358 108.379 108.800 -0.106 0.000 2.396 142 G HA2 -0.139 3.814 3.960 -0.012 0.000 0.214 142 G HA3 -0.139 3.814 3.960 -0.012 0.000 0.214 142 G C 1.574 176.499 174.900 0.041 0.000 1.166 142 G CA 0.235 45.358 45.100 0.039 0.000 0.793 142 G HN 0.440 nan 8.290 nan 0.000 0.533 143 K N 0.192 120.577 120.400 -0.025 0.000 2.127 143 K HA -0.124 4.189 4.320 -0.012 0.000 0.208 143 K C 2.315 178.920 176.600 0.008 0.000 1.047 143 K CA 1.168 57.460 56.287 0.008 0.000 0.927 143 K CB -0.231 32.255 32.500 -0.024 0.000 0.716 143 K HN 0.221 nan 8.250 nan 0.000 0.450 144 I N 0.411 120.889 120.570 -0.153 0.000 2.179 144 I HA -0.236 3.927 4.170 -0.012 0.000 0.242 144 I C 2.213 178.268 176.117 -0.104 0.000 1.088 144 I CA 1.668 62.813 61.300 -0.259 0.000 1.357 144 I CB -1.219 36.473 38.000 -0.513 0.000 1.051 144 I HN 0.087 nan 8.210 nan 0.000 0.409 145 F N 1.414 121.404 119.950 0.066 0.000 2.113 145 F HA -0.153 4.367 4.527 -0.012 0.000 0.297 145 F C 2.643 178.536 175.800 0.154 0.000 1.103 145 F CA 0.947 59.027 58.000 0.135 0.000 1.248 145 F CB -0.374 38.692 39.000 0.110 0.000 0.999 145 F HN 0.123 nan 8.300 nan 0.000 0.475 146 E N 0.020 120.402 120.200 0.304 0.000 2.077 146 E HA -0.246 4.097 4.350 -0.012 0.000 0.193 146 E C 1.985 178.708 176.600 0.204 0.000 0.989 146 E CA 1.408 57.931 56.400 0.204 0.000 0.800 146 E CB -0.487 29.296 29.700 0.138 0.000 0.746 146 E HN 0.428 nan 8.360 nan 0.000 0.452 147 F N 1.630 121.615 119.950 0.059 0.000 2.065 147 F HA -0.216 4.304 4.527 -0.012 0.000 0.298 147 F C 1.805 177.643 175.800 0.064 0.000 1.112 147 F CA 1.149 59.170 58.000 0.036 0.000 1.212 147 F CB 0.074 39.069 39.000 -0.009 0.000 0.975 147 F HN -0.040 nan 8.300 nan 0.000 0.476 148 L N 0.959 122.441 121.223 0.432 0.000 2.675 148 L HA 0.114 4.447 4.340 -0.012 0.000 0.238 148 L C 1.210 178.233 176.870 0.256 0.000 1.155 148 L CA 1.234 56.283 54.840 0.348 0.000 0.881 148 L CB -2.080 40.199 42.059 0.366 0.000 1.008 148 L HN 0.508 nan 8.230 nan 0.000 0.443 149 G N 1.154 110.062 108.800 0.180 0.000 2.422 149 G HA2 -0.254 3.698 3.960 -0.012 0.000 0.290 149 G HA3 -0.254 3.698 3.960 -0.012 0.000 0.290 149 G C -0.333 174.659 174.900 0.153 0.000 1.059 149 G CA -0.110 45.065 45.100 0.125 0.000 1.242 149 G HN 0.287 nan 8.290 nan 0.000 0.520 150 L N 0.881 122.211 121.223 0.178 0.000 2.436 150 L HA 0.531 4.864 4.340 -0.012 0.000 0.268 150 L C 0.819 177.749 176.870 0.100 0.000 0.974 150 L CA -0.817 54.108 54.840 0.142 0.000 0.826 150 L CB 2.358 44.536 42.059 0.198 0.000 1.291 150 L HN 0.444 nan 8.230 nan 0.000 0.406 151 T N 0.095 114.678 114.554 0.049 0.000 2.851 151 T HA 0.473 4.816 4.350 -0.012 0.000 0.298 151 T C -0.181 174.519 174.700 -0.001 0.000 0.977 151 T CA -0.597 61.521 62.100 0.030 0.000 1.126 151 T CB 1.258 70.139 68.868 0.022 0.000 0.916 151 T HN 0.206 nan 8.240 nan 0.000 0.529 152 V N 2.938 122.853 119.914 0.002 0.000 2.407 152 V HA 0.695 4.808 4.120 -0.012 0.000 0.291 152 V C 0.733 176.811 176.094 -0.026 0.000 1.018 152 V CA -0.835 61.448 62.300 -0.029 0.000 0.842 152 V CB 1.487 33.296 31.823 -0.025 0.000 0.996 152 V HN 1.220 nan 8.190 nan 0.000 0.426 153 G N 3.565 112.349 108.800 -0.028 0.000 2.389 153 G HA2 0.649 4.602 3.960 -0.012 0.000 0.328 153 G HA3 0.649 4.602 3.960 -0.012 0.000 0.328 153 G C -1.251 173.643 174.900 -0.009 0.000 1.133 153 G CA -0.490 44.600 45.100 -0.017 0.000 0.891 153 G HN 0.490 nan 8.290 nan 0.000 0.485 154 L N 0.900 122.128 121.223 0.008 0.000 2.352 154 L HA 0.702 5.035 4.340 -0.012 0.000 0.269 154 L C -0.567 176.324 176.870 0.036 0.000 1.034 154 L CA -1.040 53.822 54.840 0.036 0.000 0.806 154 L CB 2.041 44.117 42.059 0.029 0.000 1.244 154 L HN 0.505 nan 8.230 nan 0.000 0.447 155 N N 3.012 121.741 118.700 0.050 0.000 2.577 155 N HA 0.480 5.213 4.740 -0.012 0.000 0.275 155 N C -1.952 173.621 175.510 0.105 0.000 1.091 155 N CA -0.411 52.682 53.050 0.072 0.000 0.843 155 N CB 0.458 38.957 38.487 0.020 0.000 1.295 155 N HN 0.545 nan 8.380 nan 0.000 0.530 156 L N 1.091 122.380 121.223 0.111 0.000 2.354 156 L HA 0.640 4.973 4.340 -0.012 0.000 0.269 156 L C 1.506 178.447 176.870 0.119 0.000 1.005 156 L CA -1.143 53.766 54.840 0.114 0.000 0.819 156 L CB 1.497 43.614 42.059 0.097 0.000 1.311 156 L HN 0.338 nan 8.230 nan 0.000 0.423 157 N N 0.857 119.629 118.700 0.120 0.000 2.588 157 N HA -0.200 4.532 4.740 -0.012 0.000 0.190 157 N C 1.094 176.650 175.510 0.077 0.000 1.094 157 N CA 1.424 54.536 53.050 0.104 0.000 0.921 157 N CB -0.090 38.451 38.487 0.090 0.000 0.959 157 N HN 0.856 nan 8.380 nan 0.000 0.448 158 S N -1.167 114.579 115.700 0.076 0.000 2.558 158 S HA 0.183 4.646 4.470 -0.012 0.000 0.217 158 S C 0.900 175.536 174.600 0.061 0.000 0.975 158 S CA -0.494 57.743 58.200 0.061 0.000 0.912 158 S CB -0.142 63.094 63.200 0.060 0.000 0.776 158 S HN 0.184 nan 8.310 nan 0.000 0.526 159 M N 2.920 122.564 119.600 0.074 0.000 2.250 159 M HA 0.305 4.778 4.480 -0.012 0.000 0.344 159 M C 0.755 177.096 176.300 0.069 0.000 1.150 159 M CA -0.420 54.924 55.300 0.073 0.000 1.147 159 M CB 1.421 34.075 32.600 0.090 0.000 1.498 159 M HN 0.377 nan 8.290 nan 0.000 0.461 160 S N 1.602 117.337 115.700 0.059 0.000 2.608 160 S HA 0.129 4.592 4.470 -0.012 0.000 0.261 160 S C 0.754 175.386 174.600 0.054 0.000 1.314 160 S CA -0.486 57.744 58.200 0.050 0.000 0.992 160 S CB 0.610 63.834 63.200 0.040 0.000 0.935 160 S HN 0.820 nan 8.310 nan 0.000 0.564 161 K N -0.256 120.170 120.400 0.042 0.000 2.585 161 K HA -0.076 4.237 4.320 -0.012 0.000 0.194 161 K C 0.062 176.685 176.600 0.038 0.000 1.037 161 K CA 1.088 57.398 56.287 0.038 0.000 0.964 161 K CB -0.116 32.401 32.500 0.029 0.000 0.787 161 K HN 0.602 nan 8.250 nan 0.000 0.488 162 D N -0.868 119.558 120.400 0.043 0.000 2.526 162 D HA -0.039 4.594 4.640 -0.012 0.000 0.293 162 D C 1.138 177.472 176.300 0.056 0.000 1.081 162 D CA 0.208 54.233 54.000 0.042 0.000 0.924 162 D CB 0.230 41.049 40.800 0.032 0.000 1.498 162 D HN 0.198 nan 8.370 nan 0.000 0.497 163 E N 2.009 122.245 120.200 0.061 0.000 2.038 163 E HA -0.176 4.167 4.350 -0.012 0.000 0.195 163 E C 1.749 178.409 176.600 0.100 0.000 1.000 163 E CA 0.956 57.398 56.400 0.070 0.000 0.803 163 E CB -0.124 29.615 29.700 0.066 0.000 0.750 163 E HN 0.193 nan 8.360 nan 0.000 0.448 164 K N 0.664 121.138 120.400 0.123 0.000 2.211 164 K HA -0.144 4.169 4.320 -0.012 0.000 0.204 164 K C 2.201 178.944 176.600 0.237 0.000 1.047 164 K CA 1.022 57.428 56.287 0.199 0.000 0.935 164 K CB -0.096 32.527 32.500 0.205 0.000 0.728 164 K HN -0.059 nan 8.250 nan 0.000 0.452 165 R N 1.107 121.692 120.500 0.141 0.000 2.075 165 R HA -0.107 4.226 4.340 -0.012 0.000 0.232 165 R C 2.217 178.610 176.300 0.155 0.000 1.126 165 R CA 1.331 57.507 56.100 0.126 0.000 0.963 165 R CB -0.290 30.052 30.300 0.071 0.000 0.858 165 R HN 0.327 nan 8.270 nan 0.000 0.435 166 E N 0.568 120.839 120.200 0.118 0.000 2.017 166 E HA -0.219 4.123 4.350 -0.012 0.000 0.193 166 E C 1.903 178.565 176.600 0.103 0.000 0.997 166 E CA 1.430 57.887 56.400 0.094 0.000 0.804 166 E CB -0.142 29.600 29.700 0.069 0.000 0.757 166 E HN 0.312 nan 8.360 nan 0.000 0.448 167 A N 0.179 123.066 122.820 0.113 0.000 1.917 167 A HA -0.218 4.095 4.320 -0.012 0.000 0.219 167 A C 1.994 179.605 177.584 0.043 0.000 1.182 167 A CA 1.727 53.808 52.037 0.073 0.000 0.633 167 A CB -1.024 18.027 19.000 0.085 0.000 0.819 167 A HN 0.504 nan 8.150 nan 0.000 0.448 168 Y N -0.580 119.744 120.300 0.040 0.000 2.457 168 Y HA 0.102 4.645 4.550 -0.012 0.000 0.292 168 Y C 2.726 178.645 175.900 0.032 0.000 1.125 168 Y CA 0.539 58.662 58.100 0.038 0.000 1.254 168 Y CB -0.197 38.321 38.460 0.096 0.000 1.012 168 Y HN 0.356 nan 8.280 nan 0.000 0.555 169 A N 0.674 123.597 122.820 0.172 0.000 1.873 169 A HA 0.109 4.422 4.320 -0.012 0.000 0.215 169 A C 1.697 179.317 177.584 0.061 0.000 1.186 169 A CA 0.640 52.743 52.037 0.110 0.000 0.616 169 A CB -1.298 17.755 19.000 0.087 0.000 0.823 169 A HN 0.272 nan 8.150 nan 0.000 0.442 170 A N 0.904 123.744 122.820 0.034 0.000 2.639 170 A HA 0.093 4.406 4.320 -0.012 0.000 0.229 170 A C 0.682 178.259 177.584 -0.011 0.000 1.062 170 A CA 0.718 52.758 52.037 0.004 0.000 0.761 170 A CB -0.018 18.972 19.000 -0.017 0.000 0.988 170 A HN 0.607 nan 8.150 nan 0.000 0.510 171 D N -0.406 119.983 120.400 -0.018 0.000 2.349 171 D HA 0.132 4.765 4.640 -0.012 0.000 0.224 171 D C 0.135 176.393 176.300 -0.070 0.000 1.029 171 D CA 0.647 54.633 54.000 -0.024 0.000 0.879 171 D CB -0.163 40.625 40.800 -0.020 0.000 0.906 171 D HN 0.382 nan 8.370 nan 0.000 0.528 172 I N 0.885 121.386 120.570 -0.116 0.000 2.560 172 I HA 0.128 4.291 4.170 -0.012 0.000 0.283 172 I C -0.934 175.114 176.117 -0.115 0.000 1.115 172 I CA -0.424 60.771 61.300 -0.175 0.000 1.066 172 I CB 1.988 39.747 38.000 -0.401 0.000 1.221 172 I HN -0.245 nan 8.210 nan 0.000 0.450 173 T N 4.270 118.713 114.554 -0.185 0.000 2.867 173 T HA 0.541 4.884 4.350 -0.012 0.000 0.282 173 T C -0.889 173.761 174.700 -0.083 0.000 1.000 173 T CA -0.485 61.489 62.100 -0.210 0.000 1.042 173 T CB 1.405 69.922 68.868 -0.585 0.000 0.973 173 T HN 0.128 nan 8.240 nan 0.000 0.465 174 Y N 0.910 121.093 120.300 -0.195 0.000 2.393 174 Y HA 0.680 5.223 4.550 -0.012 0.000 0.341 174 Y C 0.586 176.427 175.900 -0.098 0.000 0.988 174 Y CA -0.485 57.545 58.100 -0.117 0.000 1.078 174 Y CB 2.223 40.641 38.460 -0.070 0.000 1.203 174 Y HN 0.811 nan 8.280 nan 0.000 0.453 175 S N 0.515 116.189 115.700 -0.043 0.000 2.724 175 S HA 0.646 5.109 4.470 -0.012 0.000 0.278 175 S C -0.939 173.666 174.600 0.008 0.000 1.190 175 S CA -0.321 57.887 58.200 0.013 0.000 0.860 175 S CB 0.847 64.061 63.200 0.025 0.000 1.206 175 S HN 0.719 nan 8.310 nan 0.000 0.507 176 T N 0.308 114.895 114.554 0.054 0.000 2.950 176 T HA 0.412 4.755 4.350 -0.012 0.000 0.288 176 T C 1.200 175.927 174.700 0.045 0.000 1.035 176 T CA -0.256 61.870 62.100 0.043 0.000 1.028 176 T CB 0.942 69.861 68.868 0.084 0.000 1.109 176 T HN 0.694 nan 8.240 nan 0.000 0.514 177 N N 1.760 120.465 118.700 0.007 0.000 2.289 177 N HA -0.164 4.569 4.740 -0.012 0.000 0.184 177 N C 1.004 176.436 175.510 -0.129 0.000 1.016 177 N CA 1.075 54.078 53.050 -0.079 0.000 0.872 177 N CB -0.666 37.717 38.487 -0.173 0.000 0.973 177 N HN 0.604 nan 8.380 nan 0.000 0.433 178 N N 0.647 119.395 118.700 0.080 0.000 2.278 178 N HA -0.045 4.688 4.740 -0.012 0.000 0.181 178 N C 1.335 176.945 175.510 0.167 0.000 1.023 178 N CA 0.530 53.668 53.050 0.145 0.000 0.862 178 N CB -0.010 38.683 38.487 0.343 0.000 1.003 178 N HN 0.180 nan 8.380 nan 0.000 0.431 179 E N 1.921 122.264 120.200 0.239 0.000 2.048 179 E HA -0.151 4.192 4.350 -0.012 0.000 0.202 179 E C 2.305 179.050 176.600 0.241 0.000 1.021 179 E CA 0.794 57.361 56.400 0.279 0.000 0.825 179 E CB -0.696 29.142 29.700 0.230 0.000 0.756 179 E HN 0.341 nan 8.360 nan 0.000 0.454 180 L N -0.051 121.277 121.223 0.175 0.000 2.081 180 L HA -0.175 4.158 4.340 -0.012 0.000 0.212 180 L C 2.489 179.303 176.870 -0.093 0.000 1.080 180 L CA 1.462 56.430 54.840 0.214 0.000 0.754 180 L CB -0.933 41.281 42.059 0.258 0.000 0.893 180 L HN 0.197 nan 8.230 nan 0.000 0.433 181 G N -0.281 108.264 108.800 -0.424 0.000 2.434 181 G HA2 -0.222 3.730 3.960 -0.012 0.000 0.214 181 G HA3 -0.222 3.730 3.960 -0.012 0.000 0.214 181 G C 1.441 176.247 174.900 -0.157 0.000 1.202 181 G CA 0.458 45.179 45.100 -0.631 0.000 0.788 181 G HN 0.229 nan 8.290 nan 0.000 0.539 182 F N 1.287 121.282 119.950 0.075 0.000 2.161 182 F HA -0.077 4.443 4.527 -0.012 0.000 0.300 182 F C 2.573 178.447 175.800 0.124 0.000 1.089 182 F CA 1.034 59.105 58.000 0.118 0.000 1.282 182 F CB -0.021 39.046 39.000 0.112 0.000 1.010 182 F HN 0.059 nan 8.300 nan 0.000 0.485 183 D N -0.516 120.074 120.400 0.317 0.000 2.092 183 D HA -0.260 4.372 4.640 -0.012 0.000 0.193 183 D C 1.882 178.287 176.300 0.174 0.000 0.994 183 D CA 1.381 55.507 54.000 0.209 0.000 0.828 183 D CB -0.893 40.018 40.800 0.186 0.000 0.963 183 D HN 0.317 nan 8.370 nan 0.000 0.450 184 Y N 1.281 121.653 120.300 0.120 0.000 2.139 184 Y HA -0.266 4.277 4.550 -0.012 0.000 0.282 184 Y C 2.078 178.050 175.900 0.121 0.000 1.179 184 Y CA 1.534 59.716 58.100 0.136 0.000 1.161 184 Y CB -0.441 38.186 38.460 0.277 0.000 0.970 184 Y HN -0.022 nan 8.280 nan 0.000 0.511 185 L N -0.262 121.075 121.223 0.190 0.000 2.007 185 L HA -0.180 4.153 4.340 -0.012 0.000 0.205 185 L C 2.674 179.554 176.870 0.018 0.000 1.073 185 L CA 1.447 56.359 54.840 0.121 0.000 0.744 185 L CB -0.567 41.678 42.059 0.310 0.000 0.898 185 L HN 0.078 nan 8.230 nan 0.000 0.435 186 R N 0.110 120.658 120.500 0.080 0.000 2.159 186 R HA -0.190 4.143 4.340 -0.012 0.000 0.237 186 R C 1.441 177.710 176.300 -0.052 0.000 1.131 186 R CA 1.485 57.603 56.100 0.030 0.000 0.982 186 R CB -0.655 29.678 30.300 0.055 0.000 0.868 186 R HN 0.369 nan 8.270 nan 0.000 0.453 187 D N 0.238 120.577 120.400 -0.102 0.000 2.378 187 D HA -0.045 4.588 4.640 -0.012 0.000 0.222 187 D C 0.685 176.835 176.300 -0.250 0.000 0.980 187 D CA 0.748 54.655 54.000 -0.155 0.000 0.907 187 D CB -0.029 40.671 40.800 -0.167 0.000 0.899 187 D HN 0.178 nan 8.370 nan 0.000 0.527 188 N N -0.498 117.995 118.700 -0.345 0.000 2.275 188 N HA 0.142 4.875 4.740 -0.012 0.000 0.236 188 N C 0.599 175.933 175.510 -0.294 0.000 1.154 188 N CA 0.066 52.807 53.050 -0.515 0.000 0.866 188 N CB 0.783 38.577 38.487 -1.156 0.000 1.093 188 N HN 0.159 nan 8.380 nan 0.000 0.515 189 M N -0.132 119.380 119.600 -0.148 0.000 2.338 189 M HA 0.162 4.634 4.480 -0.012 0.000 0.276 189 M C 0.100 176.357 176.300 -0.073 0.000 1.057 189 M CA 0.237 55.499 55.300 -0.063 0.000 1.079 189 M CB 1.115 33.709 32.600 -0.010 0.000 1.547 189 M HN -0.278 nan 8.290 nan 0.000 0.549 190 V N 2.196 122.059 119.914 -0.083 0.000 2.678 190 V HA -0.205 3.907 4.120 -0.012 0.000 0.304 190 V C 1.275 177.306 176.094 -0.106 0.000 1.086 190 V CA 0.909 63.170 62.300 -0.065 0.000 1.246 190 V CB 0.025 31.814 31.823 -0.056 0.000 0.861 190 V HN 0.443 nan 8.190 nan 0.000 0.491 191 L N 4.779 125.927 121.223 -0.126 0.000 2.354 191 L HA 0.218 4.551 4.340 -0.012 0.000 0.212 191 L C -0.003 176.589 176.870 -0.462 0.000 1.091 191 L CA 0.650 55.302 54.840 -0.314 0.000 0.828 191 L CB 0.066 41.888 42.059 -0.395 0.000 0.973 191 L HN 0.563 nan 8.230 nan 0.000 0.461 192 Y N -0.601 119.668 120.300 -0.053 0.000 2.326 192 Y HA 0.177 4.720 4.550 -0.012 0.000 0.331 192 Y C 1.009 176.873 175.900 -0.060 0.000 0.962 192 Y CA -0.810 57.257 58.100 -0.054 0.000 1.167 192 Y CB 1.600 40.038 38.460 -0.037 0.000 1.148 192 Y HN -0.158 nan 8.280 nan 0.000 0.463 193 K N 2.180 122.612 120.400 0.054 0.000 2.108 193 K HA -0.328 3.984 4.320 -0.012 0.000 0.219 193 K C 1.719 178.335 176.600 0.026 0.000 1.054 193 K CA 2.553 58.834 56.287 -0.010 0.000 0.945 193 K CB 0.051 32.514 32.500 -0.062 0.000 0.728 193 K HN 0.890 nan 8.250 nan 0.000 0.462 194 E N 0.507 120.732 120.200 0.041 0.000 2.455 194 E HA -0.239 4.104 4.350 -0.012 0.000 0.202 194 E C 1.272 177.892 176.600 0.033 0.000 1.045 194 E CA 1.262 57.681 56.400 0.031 0.000 0.872 194 E CB -0.194 29.516 29.700 0.017 0.000 0.792 194 E HN 0.585 nan 8.360 nan 0.000 0.542 195 Q N -0.001 119.827 119.800 0.047 0.000 2.444 195 Q HA 0.171 4.504 4.340 -0.012 0.000 0.206 195 Q C 0.464 176.469 176.000 0.009 0.000 0.948 195 Q CA 0.068 55.892 55.803 0.036 0.000 0.946 195 Q CB 0.086 28.859 28.738 0.058 0.000 1.027 195 Q HN 0.341 nan 8.270 nan 0.000 0.513 196 M N 0.243 119.846 119.600 0.005 0.000 2.188 196 M HA -0.006 4.467 4.480 -0.012 0.000 0.354 196 M C 1.025 177.293 176.300 -0.052 0.000 1.342 196 M CA -0.027 55.259 55.300 -0.023 0.000 1.117 196 M CB 1.328 33.932 32.600 0.007 0.000 1.670 196 M HN 0.001 nan 8.290 nan 0.000 0.466 197 V N 3.941 123.784 119.914 -0.117 0.000 2.446 197 V HA -0.064 4.048 4.120 -0.012 0.000 0.244 197 V C 1.119 176.949 176.094 -0.441 0.000 1.039 197 V CA 1.447 63.627 62.300 -0.200 0.000 1.045 197 V CB 0.188 31.894 31.823 -0.196 0.000 0.681 197 V HN 0.830 nan 8.190 nan 0.000 0.459 198 Q N 0.509 119.964 119.800 -0.575 0.000 2.396 198 Q HA 0.343 4.676 4.340 -0.012 0.000 0.221 198 Q C -0.252 175.682 176.000 -0.111 0.000 1.025 198 Q CA -0.191 55.246 55.803 -0.610 0.000 0.946 198 Q CB 1.034 29.576 28.738 -0.328 0.000 1.224 198 Q HN 0.384 nan 8.270 nan 0.000 0.539 199 R N 0.724 121.282 120.500 0.098 0.000 2.902 199 R HA 0.433 4.766 4.340 -0.012 0.000 0.258 199 R C -2.321 174.015 176.300 0.060 0.000 1.071 199 R CA -2.097 54.068 56.100 0.107 0.000 1.024 199 R CB 1.045 31.454 30.300 0.183 0.000 1.184 199 R HN 0.475 nan 8.270 nan 0.000 0.492 200 P HA -0.011 nan 4.420 nan 0.000 0.263 200 P C -0.488 176.772 177.300 -0.066 0.000 1.195 200 P CA 0.367 63.429 63.100 -0.063 0.000 0.762 200 P CB 0.347 32.010 31.700 -0.063 0.000 0.799 201 L N 3.611 124.685 121.223 -0.248 0.000 2.562 201 L HA 0.003 4.336 4.340 -0.012 0.000 0.271 201 L C 1.970 178.706 176.870 -0.224 0.000 1.167 201 L CA 0.179 54.669 54.840 -0.584 0.000 0.917 201 L CB -0.551 40.774 42.059 -1.224 0.000 1.187 201 L HN 0.657 nan 8.230 nan 0.000 0.482 202 H N 4.175 123.218 119.070 -0.045 0.000 2.320 202 H HA 0.201 4.750 4.556 -0.012 0.000 0.318 202 H C -0.598 174.964 175.328 0.390 0.000 1.098 202 H CA -0.168 55.984 56.048 0.175 0.000 1.569 202 H CB 0.977 30.868 29.762 0.215 0.000 1.506 202 H HN 0.443 nan 8.280 nan 0.000 0.632 203 F N 1.140 121.149 119.950 0.100 0.000 2.574 203 F HA 0.609 5.129 4.527 -0.012 0.000 0.313 203 F C -1.554 174.244 175.800 -0.004 0.000 1.130 203 F CA -0.525 57.416 58.000 -0.098 0.000 0.936 203 F CB 1.518 40.245 39.000 -0.454 0.000 1.219 203 F HN 0.228 nan 8.300 nan 0.000 0.445 204 A N 4.566 126.760 122.820 -1.044 0.000 2.355 204 A HA 0.853 5.166 4.320 -0.012 0.000 0.324 204 A C -1.852 175.009 177.584 -1.204 0.000 1.117 204 A CA -0.726 50.667 52.037 -1.073 0.000 0.785 204 A CB 1.722 19.934 19.000 -1.314 0.000 1.254 204 A HN 0.691 nan 8.150 nan 0.000 0.453 205 V N 3.509 122.954 119.914 -0.783 0.000 2.447 205 V HA 0.300 4.413 4.120 -0.012 0.000 0.292 205 V C -0.666 175.152 176.094 -0.459 0.000 1.021 205 V CA -0.061 61.895 62.300 -0.573 0.000 0.850 205 V CB 1.180 32.790 31.823 -0.355 0.000 1.005 205 V HN 0.734 nan 8.190 nan 0.000 0.426 206 I N 3.515 123.804 120.570 -0.468 0.000 2.304 206 I HA 0.342 4.505 4.170 -0.012 0.000 0.291 206 I C -0.055 175.882 176.117 -0.299 0.000 1.018 206 I CA -0.261 60.777 61.300 -0.437 0.000 1.260 206 I CB 1.236 38.894 38.000 -0.570 0.000 1.390 206 I HN 0.560 nan 8.210 nan 0.000 0.475 207 D N 6.013 126.266 120.400 -0.245 0.000 2.264 207 D HA 0.156 4.789 4.640 -0.012 0.000 0.250 207 D C -0.088 176.129 176.300 -0.138 0.000 1.113 207 D CA 0.292 54.192 54.000 -0.167 0.000 0.871 207 D CB 0.715 41.432 40.800 -0.139 0.000 1.167 207 D HN 0.544 nan 8.370 nan 0.000 0.447 208 Q N 1.854 121.593 119.800 -0.102 0.000 2.479 208 Q HA -0.186 4.147 4.340 -0.012 0.000 0.282 208 Q C 1.164 177.126 176.000 -0.064 0.000 1.279 208 Q CA 0.335 56.100 55.803 -0.064 0.000 0.815 208 Q CB -1.666 27.043 28.738 -0.048 0.000 1.204 208 Q HN 0.506 nan 8.270 nan 0.000 0.444 209 V N -0.240 119.621 119.914 -0.090 0.000 2.311 209 V HA -0.405 3.708 4.120 -0.012 0.000 0.256 209 V C 2.088 178.234 176.094 0.087 0.000 1.077 209 V CA 2.643 64.904 62.300 -0.065 0.000 1.067 209 V CB -0.827 30.941 31.823 -0.091 0.000 0.659 209 V HN 0.686 nan 8.190 nan 0.000 0.451 210 D N 0.783 121.266 120.400 0.138 0.000 2.087 210 D HA -0.176 4.457 4.640 -0.012 0.000 0.192 210 D C 2.063 178.411 176.300 0.079 0.000 0.993 210 D CA 1.847 55.941 54.000 0.157 0.000 0.828 210 D CB -0.926 39.946 40.800 0.120 0.000 0.968 210 D HN 0.406 nan 8.370 nan 0.000 0.448 211 S N 0.258 115.986 115.700 0.046 0.000 2.369 211 S HA -0.175 4.288 4.470 -0.012 0.000 0.225 211 S C 2.139 176.776 174.600 0.061 0.000 1.043 211 S CA 1.477 59.704 58.200 0.045 0.000 1.074 211 S CB -0.574 62.642 63.200 0.027 0.000 0.962 211 S HN 0.320 nan 8.310 nan 0.000 0.433 212 I N 1.113 121.688 120.570 0.010 0.000 2.133 212 I HA -0.150 4.013 4.170 -0.012 0.000 0.238 212 I C 2.219 178.366 176.117 0.050 0.000 1.074 212 I CA 1.181 62.475 61.300 -0.011 0.000 1.342 212 I CB -0.405 37.484 38.000 -0.184 0.000 1.053 212 I HN 0.198 nan 8.210 nan 0.000 0.404 213 L N -0.134 121.087 121.223 -0.004 0.000 2.141 213 L HA -0.171 4.162 4.340 -0.012 0.000 0.209 213 L C 2.118 179.132 176.870 0.239 0.000 1.094 213 L CA 1.265 56.175 54.840 0.116 0.000 0.763 213 L CB -0.123 41.982 42.059 0.077 0.000 0.908 213 L HN 0.254 nan 8.230 nan 0.000 0.437 214 I N -1.193 119.458 120.570 0.135 0.000 4.056 214 I HA -0.032 4.131 4.170 -0.012 0.000 0.232 214 I C 1.832 178.011 176.117 0.103 0.000 1.031 214 I CA 0.575 61.922 61.300 0.078 0.000 1.571 214 I CB -0.552 37.431 38.000 -0.028 0.000 1.470 214 I HN -0.076 nan 8.210 nan 0.000 0.463 215 D N 1.403 121.852 120.400 0.082 0.000 2.286 215 D HA -0.238 4.394 4.640 -0.012 0.000 0.197 215 D C 1.827 178.195 176.300 0.114 0.000 1.015 215 D CA 1.769 55.820 54.000 0.084 0.000 0.871 215 D CB -0.434 40.409 40.800 0.072 0.000 1.044 215 D HN 0.366 nan 8.370 nan 0.000 0.459 216 E N -0.195 120.096 120.200 0.151 0.000 2.492 216 E HA -0.070 4.273 4.350 -0.012 0.000 0.204 216 E C 0.776 177.525 176.600 0.248 0.000 1.073 216 E CA 0.597 57.121 56.400 0.207 0.000 0.887 216 E CB -0.074 29.792 29.700 0.277 0.000 0.813 216 E HN 0.231 nan 8.360 nan 0.000 0.562 217 A N 0.535 123.504 122.820 0.247 0.000 2.545 217 A HA 0.159 4.472 4.320 -0.012 0.000 0.277 217 A C 1.396 179.031 177.584 0.085 0.000 1.301 217 A CA -0.393 51.784 52.037 0.234 0.000 0.935 217 A CB 0.130 19.369 19.000 0.398 0.000 1.093 217 A HN 0.044 nan 8.150 nan 0.000 0.519 218 R N 0.280 120.806 120.500 0.044 0.000 2.153 218 R HA 0.016 4.349 4.340 -0.012 0.000 0.218 218 R C 0.331 176.615 176.300 -0.026 0.000 1.072 218 R CA 1.390 57.500 56.100 0.017 0.000 0.990 218 R CB -0.113 30.201 30.300 0.023 0.000 0.889 218 R HN 0.560 nan 8.270 nan 0.000 0.452 219 T N -0.396 114.116 114.554 -0.069 0.000 2.887 219 T HA 0.450 4.792 4.350 -0.012 0.000 0.288 219 T C -2.665 171.913 174.700 -0.204 0.000 1.021 219 T CA -2.400 59.633 62.100 -0.111 0.000 1.000 219 T CB 2.679 71.487 68.868 -0.101 0.000 1.034 219 T HN -0.173 nan 8.240 nan 0.000 0.467 220 P HA 0.413 nan 4.420 nan 0.000 0.276 220 P C -0.964 176.178 177.300 -0.264 0.000 1.252 220 P CA -0.707 62.263 63.100 -0.217 0.000 0.802 220 P CB 0.832 32.463 31.700 -0.115 0.000 1.035 221 L N 2.157 123.211 121.223 -0.282 0.000 2.322 221 L HA 0.566 4.899 4.340 -0.012 0.000 0.279 221 L C 0.041 176.916 176.870 0.008 0.000 1.036 221 L CA -0.473 54.230 54.840 -0.229 0.000 0.807 221 L CB 0.828 42.616 42.059 -0.451 0.000 1.226 221 L HN 0.332 nan 8.230 nan 0.000 0.433 222 I N 4.545 125.240 120.570 0.209 0.000 2.785 222 I HA 0.420 4.583 4.170 -0.012 0.000 0.293 222 I C -1.637 174.740 176.117 0.435 0.000 1.446 222 I CA -0.391 61.066 61.300 0.261 0.000 1.028 222 I CB 2.194 40.260 38.000 0.110 0.000 1.349 222 I HN 0.461 nan 8.210 nan 0.000 0.438 223 I N 5.915 126.677 120.570 0.320 0.000 2.493 223 I HA 0.611 4.774 4.170 -0.012 0.000 0.298 223 I C -0.218 175.995 176.117 0.159 0.000 0.998 223 I CA -0.382 61.051 61.300 0.222 0.000 1.137 223 I CB 2.062 40.170 38.000 0.180 0.000 1.310 223 I HN 0.694 nan 8.210 nan 0.000 0.445 224 S N 2.905 118.660 115.700 0.091 0.000 2.565 224 S HA 0.843 5.306 4.470 -0.012 0.000 0.269 224 S C -0.821 173.790 174.600 0.017 0.000 1.153 224 S CA -0.835 57.409 58.200 0.074 0.000 0.835 224 S CB 1.876 65.151 63.200 0.125 0.000 1.122 224 S HN 0.955 nan 8.310 nan 0.000 0.462 225 G N 0.741 109.556 108.800 0.026 0.000 2.707 225 G HA2 0.528 4.481 3.960 -0.012 0.000 0.299 225 G HA3 0.528 4.481 3.960 -0.012 0.000 0.299 225 G C -0.869 174.045 174.900 0.024 0.000 1.442 225 G CA -0.696 44.412 45.100 0.012 0.000 1.009 225 G HN 0.741 nan 8.290 nan 0.000 0.515 226 Q N 0.017 119.829 119.800 0.019 0.000 2.450 226 Q HA 0.277 4.610 4.340 -0.012 0.000 0.294 226 Q C 0.649 176.671 176.000 0.036 0.000 1.129 226 Q CA 0.573 56.392 55.803 0.027 0.000 0.970 226 Q CB 0.778 29.529 28.738 0.022 0.000 1.294 226 Q HN 0.714 nan 8.270 nan 0.000 0.453 227 A N 1.218 124.065 122.820 0.045 0.000 2.327 227 A HA 0.570 4.882 4.320 -0.012 0.000 0.283 227 A C -0.098 177.522 177.584 0.060 0.000 1.127 227 A CA -0.101 51.974 52.037 0.062 0.000 0.810 227 A CB 0.602 19.649 19.000 0.079 0.000 1.066 227 A HN 0.792 nan 8.150 nan 0.000 0.492 228 A N 1.968 124.827 122.820 0.065 0.000 2.583 228 A HA 0.239 4.552 4.320 -0.012 0.000 0.231 228 A C 0.921 178.540 177.584 0.058 0.000 1.065 228 A CA 0.167 52.236 52.037 0.053 0.000 0.760 228 A CB 0.132 19.162 19.000 0.049 0.000 1.001 228 A HN 0.752 nan 8.150 nan 0.000 0.509 229 K N 1.574 121.999 120.400 0.043 0.000 2.611 229 K HA -0.019 4.294 4.320 -0.012 0.000 0.193 229 K C 0.960 177.591 176.600 0.052 0.000 1.026 229 K CA 0.872 57.184 56.287 0.042 0.000 1.063 229 K CB -0.878 31.640 32.500 0.028 0.000 0.839 229 K HN 0.730 nan 8.250 nan 0.000 0.505 230 S N 0.546 116.284 115.700 0.062 0.000 3.188 230 S HA -0.006 4.457 4.470 -0.012 0.000 0.257 230 S C 0.553 175.229 174.600 0.128 0.000 1.163 230 S CA -0.088 58.150 58.200 0.064 0.000 1.259 230 S CB -0.845 62.372 63.200 0.029 0.000 0.995 230 S HN 0.134 nan 8.310 nan 0.000 0.474 231 T N 1.285 115.910 114.554 0.118 0.000 3.317 231 T HA 0.163 4.506 4.350 -0.012 0.000 0.250 231 T C 1.228 175.999 174.700 0.118 0.000 1.106 231 T CA 0.056 62.244 62.100 0.146 0.000 0.986 231 T CB -0.054 68.864 68.868 0.083 0.000 1.010 231 T HN 0.585 nan 8.240 nan 0.000 0.560 232 K N 1.058 121.509 120.400 0.085 0.000 2.190 232 K HA 0.186 4.498 4.320 -0.012 0.000 0.202 232 K C 1.968 178.592 176.600 0.041 0.000 1.045 232 K CA 0.428 56.746 56.287 0.051 0.000 0.976 232 K CB 0.002 32.515 32.500 0.021 0.000 0.849 232 K HN 0.232 nan 8.250 nan 0.000 0.468 233 L N -0.879 120.342 121.223 -0.004 0.000 2.418 233 L HA 0.056 4.389 4.340 -0.012 0.000 0.218 233 L C 1.808 178.653 176.870 -0.042 0.000 1.125 233 L CA 1.381 56.172 54.840 -0.082 0.000 0.835 233 L CB -1.608 40.310 42.059 -0.235 0.000 0.953 233 L HN 0.091 nan 8.230 nan 0.000 0.454 234 Y N 1.070 121.407 120.300 0.062 0.000 2.133 234 Y HA -0.190 4.353 4.550 -0.011 0.000 0.287 234 Y C 2.937 178.879 175.900 0.070 0.000 1.134 234 Y CA 1.918 60.101 58.100 0.138 0.000 1.133 234 Y CB -0.067 38.465 38.460 0.120 0.000 0.987 234 Y HN 0.001 nan 8.280 nan 0.000 0.502 235 V N 0.098 120.145 119.914 0.223 0.000 2.407 235 V HA -0.341 3.771 4.120 -0.012 0.000 0.248 235 V C 1.859 178.026 176.094 0.122 0.000 1.055 235 V CA 2.074 64.459 62.300 0.141 0.000 1.049 235 V CB -0.308 31.576 31.823 0.101 0.000 0.662 235 V HN 0.505 nan 8.190 nan 0.000 0.455 236 Q N -0.320 119.539 119.800 0.098 0.000 2.096 236 Q HA -0.181 4.152 4.340 -0.012 0.000 0.204 236 Q C 2.362 178.439 176.000 0.128 0.000 0.982 236 Q CA 2.032 57.886 55.803 0.085 0.000 0.850 236 Q CB -0.433 28.319 28.738 0.023 0.000 0.901 236 Q HN 0.779 nan 8.270 nan 0.000 0.422 237 A N 1.034 123.922 122.820 0.112 0.000 1.877 237 A HA -0.266 4.047 4.320 -0.012 0.000 0.216 237 A C 1.815 179.503 177.584 0.173 0.000 1.186 237 A CA 1.838 53.965 52.037 0.150 0.000 0.620 237 A CB -0.850 18.220 19.000 0.117 0.000 0.822 237 A HN 0.443 nan 8.150 nan 0.000 0.443 238 N N 0.058 118.834 118.700 0.125 0.000 2.120 238 N HA -0.089 4.644 4.740 -0.012 0.000 0.188 238 N C 1.694 177.311 175.510 0.178 0.000 1.024 238 N CA 1.985 55.102 53.050 0.112 0.000 0.852 238 N CB -0.320 38.237 38.487 0.116 0.000 1.003 238 N HN 0.360 nan 8.380 nan 0.000 0.424 239 A N -0.518 122.400 122.820 0.162 0.000 1.930 239 A HA -0.055 4.258 4.320 -0.012 0.000 0.217 239 A C 2.086 179.774 177.584 0.173 0.000 1.175 239 A CA 1.091 53.217 52.037 0.148 0.000 0.627 239 A CB -1.053 18.023 19.000 0.127 0.000 0.815 239 A HN 0.502 nan 8.150 nan 0.000 0.443 240 F N 1.004 120.987 119.950 0.054 0.000 2.051 240 F HA -0.139 4.380 4.527 -0.012 0.000 0.296 240 F C 2.162 177.994 175.800 0.053 0.000 1.122 240 F CA 2.117 60.144 58.000 0.044 0.000 1.201 240 F CB -0.646 38.369 39.000 0.026 0.000 0.978 240 F HN 0.003 nan 8.300 nan 0.000 0.472 241 V N 1.255 121.063 119.914 -0.178 0.000 2.490 241 V HA -0.219 3.893 4.120 -0.012 0.000 0.250 241 V C 2.460 178.516 176.094 -0.065 0.000 1.061 241 V CA 1.668 63.813 62.300 -0.259 0.000 1.064 241 V CB -0.901 30.901 31.823 -0.036 0.000 0.670 241 V HN 0.275 nan 8.190 nan 0.000 0.461 242 R N 0.212 120.753 120.500 0.068 0.000 2.397 242 R HA -0.079 4.254 4.340 -0.012 0.000 0.213 242 R C 1.292 177.565 176.300 -0.045 0.000 1.102 242 R CA 1.128 57.252 56.100 0.040 0.000 1.040 242 R CB -0.593 29.747 30.300 0.066 0.000 0.844 242 R HN 0.512 nan 8.270 nan 0.000 0.478 243 T N -0.716 113.778 114.554 -0.101 0.000 3.633 243 T HA 0.342 4.684 4.350 -0.012 0.000 0.278 243 T C 0.653 175.260 174.700 -0.155 0.000 0.991 243 T CA -0.302 61.737 62.100 -0.102 0.000 1.036 243 T CB -0.161 68.667 68.868 -0.067 0.000 1.148 243 T HN 0.123 nan 8.240 nan 0.000 0.501 244 L N -0.314 120.813 121.223 -0.160 0.000 3.017 244 L HA 0.485 4.818 4.340 -0.012 0.000 0.265 244 L C 0.917 177.737 176.870 -0.084 0.000 1.128 244 L CA -0.533 54.209 54.840 -0.163 0.000 0.984 244 L CB -0.021 41.872 42.059 -0.276 0.000 1.464 244 L HN 0.127 nan 8.230 nan 0.000 0.556 245 K N 2.596 122.958 120.400 -0.063 0.000 2.397 245 K HA 0.133 4.446 4.320 -0.012 0.000 0.263 245 K C -0.308 176.278 176.600 -0.023 0.000 1.143 245 K CA 0.803 57.069 56.287 -0.035 0.000 1.207 245 K CB 0.087 32.564 32.500 -0.039 0.000 0.804 245 K HN 0.299 nan 8.250 nan 0.000 0.494 246 A N 3.908 126.724 122.820 -0.006 0.000 2.410 246 A HA 0.168 4.480 4.320 -0.012 0.000 0.300 246 A C -0.832 176.775 177.584 0.037 0.000 1.077 246 A CA -0.705 51.338 52.037 0.010 0.000 0.610 246 A CB 0.547 19.550 19.000 0.004 0.000 1.371 246 A HN 0.715 nan 8.150 nan 0.000 0.510 247 E N -0.761 119.472 120.200 0.055 0.000 2.349 247 E HA 0.299 4.642 4.350 -0.012 0.000 0.201 247 E C 0.362 177.021 176.600 0.099 0.000 1.087 247 E CA 0.066 56.531 56.400 0.107 0.000 1.128 247 E CB -0.014 29.756 29.700 0.116 0.000 1.188 247 E HN 0.420 nan 8.360 nan 0.000 0.445 248 K N 0.737 121.176 120.400 0.065 0.000 2.358 248 K HA 0.053 4.366 4.320 -0.012 0.000 0.197 248 K C -0.790 175.845 176.600 0.059 0.000 1.025 248 K CA 0.198 56.514 56.287 0.047 0.000 1.104 248 K CB 0.648 33.162 32.500 0.025 0.000 0.855 248 K HN 0.170 nan 8.250 nan 0.000 0.531 249 D N -0.368 120.080 120.400 0.080 0.000 2.378 249 D HA -0.039 4.594 4.640 -0.012 0.000 0.265 249 D C -0.914 175.473 176.300 0.145 0.000 1.229 249 D CA -0.709 53.341 54.000 0.083 0.000 0.914 249 D CB -0.207 40.613 40.800 0.034 0.000 1.140 249 D HN -0.154 nan 8.370 nan 0.000 0.516 250 Y N 1.808 122.120 120.300 0.021 0.000 2.745 250 Y HA 0.111 4.654 4.550 -0.012 0.000 0.335 250 Y C 0.991 176.937 175.900 0.077 0.000 1.212 250 Y CA 0.489 58.620 58.100 0.052 0.000 1.535 250 Y CB 0.456 38.953 38.460 0.062 0.000 1.220 250 Y HN 0.330 nan 8.280 nan 0.000 0.531 251 T N 4.541 118.983 114.554 -0.187 0.000 2.810 251 T HA 0.411 4.753 4.350 -0.012 0.000 0.277 251 T C -1.731 172.886 174.700 -0.138 0.000 0.973 251 T CA -0.091 61.928 62.100 -0.136 0.000 0.949 251 T CB 0.363 69.163 68.868 -0.113 0.000 1.075 251 T HN 0.468 nan 8.240 nan 0.000 0.537 252 Y N 0.263 120.420 120.300 -0.239 0.000 2.482 252 Y HA 0.329 4.872 4.550 -0.012 0.000 0.334 252 Y C 0.044 175.859 175.900 -0.142 0.000 1.091 252 Y CA -1.041 56.938 58.100 -0.202 0.000 1.027 252 Y CB 1.969 40.349 38.460 -0.133 0.000 1.306 252 Y HN 0.788 nan 8.280 nan 0.000 0.446 253 D N 1.034 121.302 120.400 -0.219 0.000 2.473 253 D HA 0.047 4.680 4.640 -0.012 0.000 0.230 253 D C 1.213 177.417 176.300 -0.159 0.000 1.097 253 D CA 0.548 54.460 54.000 -0.146 0.000 0.861 253 D CB 0.361 41.072 40.800 -0.149 0.000 1.114 253 D HN 0.403 nan 8.370 nan 0.000 0.500 254 I N 0.311 120.708 120.570 -0.290 0.000 2.500 254 I HA -0.022 4.141 4.170 -0.012 0.000 0.252 254 I C 1.797 177.820 176.117 -0.157 0.000 1.142 254 I CA 1.047 62.165 61.300 -0.304 0.000 1.451 254 I CB -0.146 37.465 38.000 -0.649 0.000 1.093 254 I HN 0.020 nan 8.210 nan 0.000 0.430 255 K N 1.182 121.623 120.400 0.068 0.000 2.402 255 K HA 0.028 4.341 4.320 -0.012 0.000 0.204 255 K C 0.239 176.884 176.600 0.075 0.000 1.056 255 K CA 0.666 57.011 56.287 0.097 0.000 1.069 255 K CB -0.165 32.423 32.500 0.147 0.000 0.888 255 K HN 0.244 nan 8.250 nan 0.000 0.546 256 T N -0.401 114.208 114.554 0.091 0.000 3.506 256 T HA -0.225 4.117 4.350 -0.012 0.000 0.407 256 T C -0.483 174.231 174.700 0.023 0.000 0.766 256 T CA 1.000 63.123 62.100 0.038 0.000 2.070 256 T CB -1.945 66.918 68.868 -0.009 0.000 1.712 256 T HN 0.362 nan 8.240 nan 0.000 0.692 257 K N 0.224 120.656 120.400 0.052 0.000 2.426 257 K HA 0.744 5.057 4.320 -0.012 0.000 0.251 257 K C 0.080 176.667 176.600 -0.022 0.000 0.941 257 K CA -0.583 55.684 56.287 -0.032 0.000 0.808 257 K CB 2.231 34.649 32.500 -0.138 0.000 1.265 257 K HN 0.361 nan 8.250 nan 0.000 0.432 258 A N 2.348 125.146 122.820 -0.036 0.000 3.041 258 A HA 0.226 4.538 4.320 -0.012 0.000 0.307 258 A C 0.373 177.943 177.584 -0.024 0.000 1.116 258 A CA -0.564 51.462 52.037 -0.018 0.000 1.001 258 A CB -0.619 18.372 19.000 -0.016 0.000 1.112 258 A HN 0.489 nan 8.150 nan 0.000 0.556 259 V N -2.451 117.430 119.914 -0.055 0.000 3.531 259 V HA 0.154 4.267 4.120 -0.012 0.000 0.289 259 V C 0.007 176.084 176.094 -0.029 0.000 1.253 259 V CA 0.344 62.603 62.300 -0.068 0.000 1.362 259 V CB 0.073 31.824 31.823 -0.119 0.000 1.054 259 V HN 0.643 nan 8.190 nan 0.000 0.514 260 Q N 0.708 120.476 119.800 -0.053 0.000 2.444 260 Q HA 0.650 4.982 4.340 -0.012 0.000 0.239 260 Q C -0.664 175.300 176.000 -0.059 0.000 0.853 260 Q CA -0.049 55.729 55.803 -0.041 0.000 0.856 260 Q CB 1.464 30.170 28.738 -0.053 0.000 1.413 260 Q HN 0.864 nan 8.270 nan 0.000 0.437 261 L N 1.741 122.944 121.223 -0.033 0.000 1.654 261 L HA 0.256 4.589 4.340 -0.012 0.000 0.132 261 L C 1.017 177.884 176.870 -0.005 0.000 1.375 261 L CA 1.319 56.144 54.840 -0.025 0.000 1.120 261 L CB 0.340 42.378 42.059 -0.036 0.000 2.321 261 L HN 0.591 nan 8.230 nan 0.000 0.472 262 T N -2.163 112.381 114.554 -0.017 0.000 3.215 262 T HA 0.145 4.488 4.350 -0.012 0.000 0.254 262 T C 0.348 175.041 174.700 -0.011 0.000 1.149 262 T CA 0.436 62.522 62.100 -0.023 0.000 1.042 262 T CB -0.544 68.288 68.868 -0.060 0.000 0.966 262 T HN 0.303 nan 8.240 nan 0.000 0.534 263 E N 1.334 121.539 120.200 0.008 0.000 2.341 263 E HA 0.224 4.567 4.350 -0.012 0.000 0.279 263 E C 0.917 177.538 176.600 0.035 0.000 1.395 263 E CA -0.183 56.232 56.400 0.025 0.000 1.648 263 E CB 0.207 29.930 29.700 0.038 0.000 1.524 263 E HN 0.574 nan 8.360 nan 0.000 0.462 264 E N 0.096 120.316 120.200 0.034 0.000 2.106 264 E HA -0.136 4.207 4.350 -0.012 0.000 0.192 264 E C 2.003 178.636 176.600 0.054 0.000 0.984 264 E CA 0.942 57.371 56.400 0.049 0.000 0.806 264 E CB 0.041 29.766 29.700 0.040 0.000 0.750 264 E HN 0.484 nan 8.360 nan 0.000 0.458 265 G N 0.408 109.233 108.800 0.042 0.000 2.535 265 G HA2 -0.189 3.764 3.960 -0.012 0.000 0.218 265 G HA3 -0.189 3.764 3.960 -0.012 0.000 0.218 265 G C 1.409 176.345 174.900 0.059 0.000 1.122 265 G CA 0.508 45.633 45.100 0.042 0.000 0.769 265 G HN 0.061 nan 8.290 nan 0.000 0.549 266 M N 0.435 120.076 119.600 0.069 0.000 2.738 266 M HA 0.046 4.519 4.480 -0.012 0.000 0.256 266 M C 2.707 179.089 176.300 0.137 0.000 1.253 266 M CA 1.448 56.809 55.300 0.102 0.000 1.223 266 M CB -1.199 31.446 32.600 0.074 0.000 1.263 266 M HN 0.201 nan 8.290 nan 0.000 0.521 267 T N -0.272 114.340 114.554 0.097 0.000 2.977 267 T HA -0.081 4.262 4.350 -0.012 0.000 0.271 267 T C 1.692 176.477 174.700 0.142 0.000 1.105 267 T CA 1.076 63.235 62.100 0.098 0.000 1.116 267 T CB -0.192 68.724 68.868 0.079 0.000 0.878 267 T HN 0.367 nan 8.240 nan 0.000 0.509 268 K N 0.852 121.326 120.400 0.123 0.000 2.276 268 K HA 0.421 4.734 4.320 -0.012 0.000 0.198 268 K C 2.695 179.355 176.600 0.100 0.000 1.052 268 K CA 0.615 56.965 56.287 0.106 0.000 0.984 268 K CB -0.060 32.485 32.500 0.076 0.000 0.836 268 K HN 0.302 nan 8.250 nan 0.000 0.490 269 A N 1.726 124.626 122.820 0.132 0.000 2.014 269 A HA -0.140 4.173 4.320 -0.012 0.000 0.218 269 A C 1.720 179.459 177.584 0.259 0.000 1.163 269 A CA 1.169 53.317 52.037 0.186 0.000 0.652 269 A CB -0.275 18.844 19.000 0.199 0.000 0.808 269 A HN 0.245 nan 8.150 nan 0.000 0.449 270 E N 0.211 120.535 120.200 0.207 0.000 2.209 270 E HA -0.152 4.190 4.350 -0.012 0.000 0.196 270 E C 0.499 177.030 176.600 -0.116 0.000 0.993 270 E CA 0.983 57.351 56.400 -0.053 0.000 0.819 270 E CB -0.110 29.577 29.700 -0.021 0.000 0.745 270 E HN 0.537 nan 8.360 nan 0.000 0.477 271 K N 0.554 120.965 120.400 0.018 0.000 3.192 271 K HA 0.230 4.543 4.320 -0.012 0.000 0.269 271 K C 0.824 177.405 176.600 -0.032 0.000 1.270 271 K CA -0.168 56.128 56.287 0.016 0.000 1.249 271 K CB 0.676 33.212 32.500 0.061 0.000 1.528 271 K HN 0.046 nan 8.250 nan 0.000 0.360 272 A N 0.920 123.723 122.820 -0.029 0.000 1.877 272 A HA -0.028 4.284 4.320 -0.012 0.000 0.216 272 A C 0.539 178.063 177.584 -0.099 0.000 1.186 272 A CA 1.076 53.095 52.037 -0.030 0.000 0.620 272 A CB 0.001 19.042 19.000 0.068 0.000 0.822 272 A HN 0.492 nan 8.150 nan 0.000 0.443 273 F N -2.083 117.861 119.950 -0.011 0.000 3.596 273 F HA 0.471 4.991 4.527 -0.012 0.000 0.407 273 F C 0.042 175.832 175.800 -0.017 0.000 1.168 273 F CA -0.097 57.900 58.000 -0.006 0.000 1.405 273 F CB 1.009 40.008 39.000 -0.001 0.000 2.272 273 F HN 0.411 nan 8.300 nan 0.000 0.758 274 G N 1.967 110.906 108.800 0.231 0.000 2.495 274 G HA2 0.390 4.343 3.960 -0.012 0.000 0.294 274 G HA3 0.390 4.343 3.960 -0.012 0.000 0.294 274 G C -0.971 174.004 174.900 0.125 0.000 1.397 274 G CA -0.926 44.257 45.100 0.138 0.000 0.790 274 G HN 0.299 nan 8.290 nan 0.000 0.486 275 I N 2.631 123.261 120.570 0.100 0.000 2.800 275 I HA -0.035 4.128 4.170 -0.012 0.000 0.309 275 I C 1.643 177.814 176.117 0.090 0.000 1.182 275 I CA -0.045 61.305 61.300 0.083 0.000 1.794 275 I CB -0.104 37.937 38.000 0.069 0.000 1.548 275 I HN 0.681 nan 8.210 nan 0.000 0.850 276 D N 4.063 124.510 120.400 0.079 0.000 2.127 276 D HA -0.299 4.333 4.640 -0.012 0.000 0.190 276 D C 1.292 177.619 176.300 0.044 0.000 1.000 276 D CA 1.956 56.008 54.000 0.086 0.000 0.839 276 D CB -0.475 40.351 40.800 0.042 0.000 0.955 276 D HN 0.554 nan 8.370 nan 0.000 0.446 277 N N -0.175 118.496 118.700 -0.049 0.000 2.061 277 N HA -0.069 4.664 4.740 -0.012 0.000 0.193 277 N C 0.304 175.599 175.510 -0.357 0.000 1.030 277 N CA 0.295 53.231 53.050 -0.190 0.000 0.856 277 N CB -0.109 38.297 38.487 -0.135 0.000 1.023 277 N HN 0.184 nan 8.380 nan 0.000 0.424 278 L N 0.946 122.071 121.223 -0.164 0.000 2.416 278 L HA 0.064 4.396 4.340 -0.012 0.000 0.272 278 L C 0.389 177.272 176.870 0.021 0.000 1.161 278 L CA 0.058 54.826 54.840 -0.121 0.000 0.845 278 L CB 0.492 42.550 42.059 -0.001 0.000 1.119 278 L HN 0.153 nan 8.230 nan 0.000 0.464 279 F N 0.109 119.934 119.950 -0.208 0.000 2.223 279 F HA -0.019 4.501 4.527 -0.012 0.000 0.229 279 F C 1.836 177.644 175.800 0.014 0.000 1.066 279 F CA -0.397 57.357 58.000 -0.409 0.000 1.199 279 F CB -0.188 38.534 39.000 -0.464 0.000 1.539 279 F HN 0.520 nan 8.300 nan 0.000 0.554 280 D N 0.894 121.501 120.400 0.346 0.000 3.691 280 D HA -0.264 4.368 4.640 -0.012 0.000 0.228 280 D C 1.770 178.236 176.300 0.276 0.000 1.236 280 D CA 2.517 56.720 54.000 0.337 0.000 0.888 280 D CB -0.600 40.383 40.800 0.304 0.000 0.969 280 D HN 0.004 nan 8.370 nan 0.000 0.560 281 V N -0.343 119.694 119.914 0.207 0.000 2.222 281 V HA -0.186 3.926 4.120 -0.012 0.000 0.240 281 V C 2.206 178.396 176.094 0.160 0.000 1.040 281 V CA 2.114 64.507 62.300 0.154 0.000 0.988 281 V CB -0.439 31.452 31.823 0.115 0.000 0.633 281 V HN 0.225 nan 8.190 nan 0.000 0.452 282 K N -1.370 119.132 120.400 0.169 0.000 2.476 282 K HA 0.023 4.335 4.320 -0.012 0.000 0.196 282 K C 1.702 178.432 176.600 0.218 0.000 1.025 282 K CA 0.135 56.514 56.287 0.153 0.000 1.138 282 K CB -0.028 32.540 32.500 0.113 0.000 0.860 282 K HN 0.496 nan 8.250 nan 0.000 0.515 283 H N -0.558 118.593 119.070 0.135 0.000 2.465 283 H HA 0.032 4.581 4.556 -0.012 0.000 0.289 283 H C 1.711 177.147 175.328 0.180 0.000 1.022 283 H CA 0.685 56.797 56.048 0.107 0.000 1.340 283 H CB 0.399 30.210 29.762 0.082 0.000 1.437 283 H HN -0.134 nan 8.280 nan 0.000 0.539 284 V N 0.296 120.413 119.914 0.339 0.000 2.626 284 V HA -0.194 3.919 4.120 -0.012 0.000 0.252 284 V C 2.444 178.652 176.094 0.189 0.000 1.067 284 V CA 1.535 64.005 62.300 0.283 0.000 1.081 284 V CB -0.900 30.968 31.823 0.075 0.000 0.686 284 V HN 0.530 nan 8.190 nan 0.000 0.468 285 A N -0.695 122.208 122.820 0.138 0.000 1.930 285 A HA 0.058 4.371 4.320 -0.012 0.000 0.215 285 A C 2.161 179.776 177.584 0.053 0.000 1.176 285 A CA 1.124 53.219 52.037 0.096 0.000 0.632 285 A CB -0.189 18.833 19.000 0.038 0.000 0.819 285 A HN 0.457 nan 8.150 nan 0.000 0.445 286 L N -1.007 120.220 121.223 0.007 0.000 2.051 286 L HA -0.071 4.262 4.340 -0.012 0.000 0.202 286 L C 2.303 179.135 176.870 -0.064 0.000 1.097 286 L CA 1.037 55.828 54.840 -0.082 0.000 0.762 286 L CB -0.756 41.201 42.059 -0.169 0.000 0.913 286 L HN 0.278 nan 8.230 nan 0.000 0.447 287 N N -0.073 118.535 118.700 -0.153 0.000 2.064 287 N HA -0.335 4.398 4.740 -0.012 0.000 0.200 287 N C 1.768 177.302 175.510 0.040 0.000 1.028 287 N CA 2.106 55.085 53.050 -0.118 0.000 0.880 287 N CB -0.666 37.735 38.487 -0.144 0.000 1.062 287 N HN 0.358 nan 8.380 nan 0.000 0.454 288 H N -1.080 118.029 119.070 0.065 0.000 2.518 288 H HA -0.065 4.484 4.556 -0.012 0.000 0.292 288 H C 1.687 177.031 175.328 0.027 0.000 1.068 288 H CA 1.576 57.663 56.048 0.064 0.000 1.275 288 H CB -0.088 29.717 29.762 0.072 0.000 1.375 288 H HN 0.413 nan 8.280 nan 0.000 0.563 289 H N -1.301 117.627 119.070 -0.238 0.000 2.729 289 H HA 0.096 4.645 4.556 -0.012 0.000 0.263 289 H C 1.291 176.489 175.328 -0.218 0.000 0.961 289 H CA 0.731 56.586 56.048 -0.321 0.000 1.217 289 H CB 0.653 30.233 29.762 -0.304 0.000 1.447 289 H HN 0.315 nan 8.280 nan 0.000 0.496 290 I N 0.845 121.404 120.570 -0.018 0.000 2.429 290 I HA -0.129 4.034 4.170 -0.012 0.000 0.247 290 I C 2.144 178.249 176.117 -0.020 0.000 1.099 290 I CA 0.514 61.812 61.300 -0.003 0.000 1.422 290 I CB -0.801 37.189 38.000 -0.018 0.000 1.112 290 I HN 0.128 nan 8.210 nan 0.000 0.430 291 N N 0.747 119.423 118.700 -0.040 0.000 2.104 291 N HA -0.183 4.549 4.740 -0.012 0.000 0.190 291 N C 1.699 177.167 175.510 -0.071 0.000 1.024 291 N CA 1.027 54.052 53.050 -0.042 0.000 0.853 291 N CB -0.177 38.293 38.487 -0.028 0.000 1.008 291 N HN 0.433 nan 8.380 nan 0.000 0.424 292 Q N 0.479 120.215 119.800 -0.107 0.000 2.226 292 Q HA -0.005 4.328 4.340 -0.012 0.000 0.204 292 Q C 1.855 177.777 176.000 -0.131 0.000 0.975 292 Q CA 0.900 56.626 55.803 -0.128 0.000 0.866 292 Q CB -0.205 28.420 28.738 -0.189 0.000 0.915 292 Q HN 0.398 nan 8.270 nan 0.000 0.440 293 A N 0.368 123.116 122.820 -0.120 0.000 1.903 293 A HA -0.050 4.263 4.320 -0.012 0.000 0.213 293 A C 2.090 179.534 177.584 -0.233 0.000 1.185 293 A CA 0.545 52.485 52.037 -0.162 0.000 0.628 293 A CB -0.461 18.487 19.000 -0.087 0.000 0.830 293 A HN 0.294 nan 8.150 nan 0.000 0.446 294 L N 0.325 121.471 121.223 -0.128 0.000 2.042 294 L HA -0.123 4.210 4.340 -0.012 0.000 0.210 294 L C 2.234 179.060 176.870 -0.073 0.000 1.076 294 L CA 2.499 57.286 54.840 -0.089 0.000 0.749 294 L CB -0.385 41.657 42.059 -0.028 0.000 0.893 294 L HN 0.435 nan 8.230 nan 0.000 0.432 295 K N -0.859 119.493 120.400 -0.080 0.000 2.365 295 K HA -0.055 4.258 4.320 -0.012 0.000 0.199 295 K C 1.805 178.361 176.600 -0.075 0.000 1.045 295 K CA 0.866 57.113 56.287 -0.067 0.000 0.962 295 K CB -0.050 32.403 32.500 -0.078 0.000 0.759 295 K HN 0.439 nan 8.250 nan 0.000 0.469 296 A N -0.120 122.628 122.820 -0.120 0.000 2.066 296 A HA -0.098 4.215 4.320 -0.012 0.000 0.218 296 A C 1.366 178.989 177.584 0.064 0.000 1.157 296 A CA 1.028 53.003 52.037 -0.103 0.000 0.670 296 A CB -0.400 18.483 19.000 -0.195 0.000 0.804 296 A HN 0.447 nan 8.150 nan 0.000 0.453 297 H N -2.011 117.046 119.070 -0.021 0.000 2.379 297 H HA 0.062 4.611 4.556 -0.012 0.000 0.308 297 H C 2.033 177.350 175.328 -0.019 0.000 1.047 297 H CA 0.829 56.869 56.048 -0.013 0.000 1.371 297 H CB 0.403 30.152 29.762 -0.021 0.000 1.449 297 H HN 0.260 nan 8.280 nan 0.000 0.564 298 V N 0.752 120.734 119.914 0.113 0.000 2.407 298 V HA -0.118 3.994 4.120 -0.012 0.000 0.245 298 V C 2.369 178.469 176.094 0.011 0.000 1.041 298 V CA 1.602 63.926 62.300 0.039 0.000 1.040 298 V CB -0.501 31.333 31.823 0.018 0.000 0.671 298 V HN 0.456 nan 8.190 nan 0.000 0.455 299 A N -0.884 121.937 122.820 0.003 0.000 1.881 299 A HA 0.196 4.509 4.320 -0.012 0.000 0.210 299 A C 1.415 178.993 177.584 -0.009 0.000 1.239 299 A CA 0.466 52.495 52.037 -0.014 0.000 0.629 299 A CB -0.314 18.669 19.000 -0.029 0.000 0.906 299 A HN 0.391 nan 8.150 nan 0.000 0.460 300 M N 2.290 121.887 119.600 -0.004 0.000 2.341 300 M HA 0.165 4.638 4.480 -0.012 0.000 0.336 300 M C 0.033 176.373 176.300 0.067 0.000 1.489 300 M CA 0.319 55.637 55.300 0.030 0.000 1.278 300 M CB 0.133 32.740 32.600 0.012 0.000 1.657 300 M HN 0.416 nan 8.290 nan 0.000 0.455 301 Q N 2.104 121.890 119.800 -0.024 0.000 2.396 301 Q HA 0.164 4.497 4.340 -0.012 0.000 0.221 301 Q C 0.802 176.609 176.000 -0.322 0.000 1.025 301 Q CA -0.301 55.445 55.803 -0.095 0.000 0.946 301 Q CB 1.268 29.950 28.738 -0.093 0.000 1.224 301 Q HN 0.589 nan 8.270 nan 0.000 0.539 302 K N 0.636 120.826 120.400 -0.350 0.000 2.217 302 K HA -0.094 4.219 4.320 -0.012 0.000 0.186 302 K C 0.216 176.402 176.600 -0.690 0.000 1.082 302 K CA 0.588 56.473 56.287 -0.671 0.000 1.075 302 K CB -0.229 32.122 32.500 -0.249 0.000 1.448 302 K HN 0.523 nan 8.250 nan 0.000 0.464 303 D N 1.260 121.455 120.400 -0.342 0.000 2.610 303 D HA -0.070 4.563 4.640 -0.012 0.000 0.261 303 D C 0.625 176.829 176.300 -0.160 0.000 1.334 303 D CA 0.276 54.150 54.000 -0.210 0.000 0.994 303 D CB -0.101 40.638 40.800 -0.102 0.000 1.061 303 D HN 0.180 nan 8.370 nan 0.000 0.472 304 V N -1.199 118.591 119.914 -0.207 0.000 3.141 304 V HA -0.008 4.105 4.120 -0.012 0.000 0.225 304 V C 1.129 177.184 176.094 -0.064 0.000 1.352 304 V CA 0.284 62.520 62.300 -0.106 0.000 1.316 304 V CB 0.642 32.411 31.823 -0.089 0.000 1.126 304 V HN -0.096 nan 8.190 nan 0.000 0.493 305 D N -0.196 120.145 120.400 -0.099 0.000 2.216 305 D HA 0.111 4.744 4.640 -0.012 0.000 0.208 305 D C 0.110 176.535 176.300 0.207 0.000 0.960 305 D CA 1.396 55.434 54.000 0.063 0.000 0.861 305 D CB 0.433 41.292 40.800 0.099 0.000 0.985 305 D HN 0.665 nan 8.370 nan 0.000 0.493 306 Y N -1.440 118.934 120.300 0.124 0.000 2.588 306 Y HA 0.593 5.136 4.550 -0.013 0.000 0.343 306 Y C -1.035 174.914 175.900 0.083 0.000 1.065 306 Y CA -1.402 56.783 58.100 0.142 0.000 1.038 306 Y CB 0.892 39.472 38.460 0.199 0.000 1.297 306 Y HN -0.386 nan 8.280 nan 0.000 0.467 307 V N 2.270 122.391 119.914 0.344 0.000 2.769 307 V HA 0.740 4.853 4.120 -0.012 0.000 0.312 307 V C -0.619 175.639 176.094 0.274 0.000 1.058 307 V CA -0.993 61.439 62.300 0.220 0.000 0.952 307 V CB 1.708 33.604 31.823 0.121 0.000 1.019 307 V HN 0.753 nan 8.190 nan 0.000 0.445 308 V N 2.677 122.709 119.914 0.197 0.000 2.680 308 V HA 0.645 4.757 4.120 -0.012 0.000 0.309 308 V C -0.275 175.873 176.094 0.089 0.000 1.052 308 V CA -0.433 61.958 62.300 0.151 0.000 0.908 308 V CB 1.841 33.761 31.823 0.161 0.000 1.001 308 V HN 1.020 nan 8.190 nan 0.000 0.431 309 E N 1.094 121.334 120.200 0.067 0.000 2.442 309 E HA 0.312 4.655 4.350 -0.012 0.000 0.271 309 E C -0.741 175.880 176.600 0.035 0.000 1.002 309 E CA -0.791 55.638 56.400 0.047 0.000 0.864 309 E CB 1.515 31.242 29.700 0.046 0.000 1.573 309 E HN 0.612 nan 8.360 nan 0.000 0.456 310 D N 0.424 120.841 120.400 0.028 0.000 2.390 310 D HA 0.022 4.655 4.640 -0.012 0.000 0.235 310 D C 0.545 176.857 176.300 0.020 0.000 1.040 310 D CA 0.560 54.573 54.000 0.021 0.000 0.923 310 D CB 0.060 40.870 40.800 0.017 0.000 0.886 310 D HN 0.397 nan 8.370 nan 0.000 0.532 311 G N -0.488 108.327 108.800 0.025 0.000 3.099 311 G HA2 0.251 4.204 3.960 -0.012 0.000 0.151 311 G HA3 0.251 4.204 3.960 -0.012 0.000 0.151 311 G C 0.072 174.990 174.900 0.030 0.000 1.265 311 G CA -0.345 44.770 45.100 0.026 0.000 0.981 311 G HN -0.148 nan 8.290 nan 0.000 0.601 312 Q N -0.379 119.447 119.800 0.044 0.000 2.256 312 Q HA 0.339 4.672 4.340 -0.012 0.000 0.232 312 Q C -0.037 176.009 176.000 0.076 0.000 0.965 312 Q CA -0.613 55.230 55.803 0.067 0.000 0.908 312 Q CB 1.854 30.659 28.738 0.111 0.000 1.209 312 Q HN 0.170 nan 8.270 nan 0.000 0.489 313 V N 2.261 122.206 119.914 0.052 0.000 2.393 313 V HA -0.006 4.107 4.120 -0.012 0.000 0.257 313 V C 0.384 176.566 176.094 0.147 0.000 1.040 313 V CA 0.033 62.350 62.300 0.029 0.000 1.097 313 V CB -0.563 31.121 31.823 -0.231 0.000 1.101 313 V HN 0.382 nan 8.190 nan 0.000 0.479 314 V N 6.507 126.505 119.914 0.139 0.000 2.811 314 V HA 0.233 4.346 4.120 -0.012 0.000 0.302 314 V C 0.657 176.846 176.094 0.159 0.000 1.063 314 V CA -0.363 62.010 62.300 0.122 0.000 1.088 314 V CB 1.202 33.079 31.823 0.090 0.000 0.982 314 V HN 0.531 nan 8.190 nan 0.000 0.485 315 I N 3.379 124.007 120.570 0.096 0.000 3.244 315 I HA 0.498 4.661 4.170 -0.012 0.000 0.314 315 I C 0.118 176.290 176.117 0.092 0.000 1.043 315 I CA -0.374 60.983 61.300 0.096 0.000 1.099 315 I CB 1.267 39.222 38.000 -0.074 0.000 1.449 315 I HN 0.394 nan 8.210 nan 0.000 0.625 316 V N 2.591 122.563 119.914 0.096 0.000 2.655 316 V HA 0.240 4.353 4.120 -0.012 0.000 0.301 316 V C -0.575 175.562 176.094 0.071 0.000 1.082 316 V CA -0.705 61.641 62.300 0.077 0.000 0.899 316 V CB 1.626 33.498 31.823 0.081 0.000 1.014 316 V HN 0.913 nan 8.190 nan 0.000 0.429 317 D N 4.381 124.816 120.400 0.059 0.000 2.400 317 D HA 0.110 4.742 4.640 -0.012 0.000 0.238 317 D C 0.798 177.152 176.300 0.091 0.000 1.157 317 D CA 0.597 54.640 54.000 0.072 0.000 0.889 317 D CB 2.084 42.928 40.800 0.073 0.000 1.199 317 D HN 0.537 nan 8.370 nan 0.000 0.436 318 S N 2.337 118.105 115.700 0.114 0.000 2.336 318 S HA -0.082 4.381 4.470 -0.012 0.000 0.216 318 S C 1.409 176.113 174.600 0.174 0.000 1.032 318 S CA 0.147 58.423 58.200 0.127 0.000 0.973 318 S CB -0.410 62.867 63.200 0.130 0.000 0.888 318 S HN 0.538 nan 8.310 nan 0.000 0.455 319 F N 2.736 122.694 119.950 0.014 0.000 1.991 319 F HA -0.189 4.331 4.527 -0.012 0.000 0.298 319 F C 2.925 178.730 175.800 0.007 0.000 1.225 319 F CA 2.028 60.034 58.000 0.009 0.000 1.187 319 F CB -1.186 37.818 39.000 0.006 0.000 0.954 319 F HN 0.282 nan 8.300 nan 0.000 0.510 320 T N -1.288 113.319 114.554 0.089 0.000 3.160 320 T HA 0.199 4.542 4.350 -0.012 0.000 0.257 320 T C 1.449 176.151 174.700 0.003 0.000 1.147 320 T CA 0.550 62.633 62.100 -0.029 0.000 1.064 320 T CB -1.099 67.780 68.868 0.018 0.000 0.949 320 T HN 0.839 nan 8.240 nan 0.000 0.526 321 G N 1.626 110.449 108.800 0.038 0.000 2.379 321 G HA2 -0.339 3.614 3.960 -0.012 0.000 0.297 321 G HA3 -0.339 3.614 3.960 -0.012 0.000 0.297 321 G C 0.063 174.983 174.900 0.034 0.000 1.004 321 G CA 0.486 45.607 45.100 0.036 0.000 0.921 321 G HN 0.817 nan 8.290 nan 0.000 0.511 322 R N -1.186 119.336 120.500 0.036 0.000 2.560 322 R HA 0.592 4.924 4.340 -0.012 0.000 0.270 322 R C 0.818 177.139 176.300 0.034 0.000 1.074 322 R CA -0.881 55.238 56.100 0.030 0.000 1.140 322 R CB 0.288 30.594 30.300 0.009 0.000 1.073 322 R HN 0.194 nan 8.270 nan 0.000 0.527 323 L N 4.707 125.953 121.223 0.038 0.000 2.385 323 L HA 0.131 4.464 4.340 -0.012 0.000 0.281 323 L C 0.193 177.079 176.870 0.027 0.000 1.106 323 L CA -0.281 54.584 54.840 0.041 0.000 0.856 323 L CB 0.684 42.772 42.059 0.049 0.000 1.186 323 L HN 0.509 nan 8.230 nan 0.000 0.453 324 M N 2.842 122.452 119.600 0.018 0.000 2.246 324 M HA -0.057 4.416 4.480 -0.012 0.000 0.327 324 M C 0.386 176.685 176.300 -0.001 0.000 1.090 324 M CA 0.203 55.502 55.300 -0.002 0.000 1.087 324 M CB -0.287 32.297 32.600 -0.026 0.000 1.587 324 M HN 0.259 nan 8.290 nan 0.000 0.444 325 K N 1.621 122.018 120.400 -0.005 0.000 2.111 325 K HA 0.384 4.696 4.320 -0.012 0.000 0.249 325 K C 0.660 177.250 176.600 -0.017 0.000 1.157 325 K CA 0.131 56.418 56.287 0.000 0.000 1.048 325 K CB -0.902 31.604 32.500 0.009 0.000 1.498 325 K HN 0.911 nan 8.250 nan 0.000 0.344 326 G N 2.332 111.119 108.800 -0.021 0.000 2.342 326 G HA2 -0.330 3.623 3.960 -0.012 0.000 0.267 326 G HA3 -0.330 3.623 3.960 -0.012 0.000 0.267 326 G C -0.394 174.459 174.900 -0.079 0.000 0.922 326 G CA 0.203 45.276 45.100 -0.044 0.000 1.342 326 G HN 0.565 nan 8.290 nan 0.000 0.430 327 R N 0.544 120.984 120.500 -0.101 0.000 2.795 327 R HA 0.760 5.093 4.340 -0.012 0.000 0.275 327 R C 0.098 176.272 176.300 -0.210 0.000 0.981 327 R CA -1.120 54.890 56.100 -0.149 0.000 0.917 327 R CB 1.390 31.609 30.300 -0.135 0.000 1.202 327 R HN 0.397 nan 8.270 nan 0.000 0.469 328 R N 1.890 122.231 120.500 -0.264 0.000 2.888 328 R HA 0.281 4.614 4.340 -0.012 0.000 0.266 328 R C -1.149 175.050 176.300 -0.167 0.000 1.020 328 R CA -0.971 54.934 56.100 -0.325 0.000 0.963 328 R CB 1.323 31.252 30.300 -0.619 0.000 1.197 328 R HN 0.500 nan 8.270 nan 0.000 0.481 329 Y N 1.129 121.455 120.300 0.043 0.000 2.393 329 Y HA 0.020 4.563 4.550 -0.012 0.000 0.338 329 Y C 1.383 177.308 175.900 0.041 0.000 1.029 329 Y CA 0.325 58.463 58.100 0.064 0.000 1.239 329 Y CB 1.078 39.586 38.460 0.079 0.000 1.170 329 Y HN 0.606 nan 8.280 nan 0.000 0.515 330 S N 1.870 117.673 115.700 0.173 0.000 2.626 330 S HA 0.138 4.601 4.470 -0.012 0.000 0.257 330 S C 0.492 175.177 174.600 0.142 0.000 1.288 330 S CA 0.091 58.366 58.200 0.126 0.000 0.980 330 S CB 0.604 63.884 63.200 0.133 0.000 0.975 330 S HN 0.882 nan 8.310 nan 0.000 0.577 331 E N -0.879 119.403 120.200 0.137 0.000 3.799 331 E HA -0.197 4.146 4.350 -0.012 0.000 0.320 331 E C 0.678 177.353 176.600 0.125 0.000 0.760 331 E CA 0.684 57.189 56.400 0.175 0.000 1.153 331 E CB -2.101 27.707 29.700 0.180 0.000 1.589 331 E HN 1.719 nan 8.360 nan 0.000 0.448 332 G N 0.511 109.362 108.800 0.085 0.000 2.248 332 G HA2 -0.280 3.673 3.960 -0.012 0.000 0.252 332 G HA3 -0.280 3.673 3.960 -0.012 0.000 0.252 332 G C 0.258 175.152 174.900 -0.011 0.000 1.085 332 G CA 0.406 45.530 45.100 0.039 0.000 0.845 332 G HN 0.371 nan 8.290 nan 0.000 0.494 333 L N -1.167 120.070 121.223 0.025 0.000 2.470 333 L HA 0.325 4.657 4.340 -0.012 0.000 0.219 333 L C 2.246 179.080 176.870 -0.061 0.000 1.071 333 L CA 1.224 56.038 54.840 -0.044 0.000 0.850 333 L CB -0.043 41.980 42.059 -0.061 0.000 1.040 333 L HN 0.418 nan 8.230 nan 0.000 0.475 334 H N 0.846 119.901 119.070 -0.025 0.000 2.289 334 H HA -0.253 4.295 4.556 -0.012 0.000 0.296 334 H C 2.063 177.305 175.328 -0.143 0.000 1.091 334 H CA 2.504 58.540 56.048 -0.021 0.000 1.274 334 H CB 0.076 29.852 29.762 0.024 0.000 1.364 334 H HN 0.457 nan 8.280 nan 0.000 0.490 335 Q N 0.310 119.974 119.800 -0.227 0.000 2.482 335 Q HA 0.127 4.460 4.340 -0.012 0.000 0.209 335 Q C 1.774 177.507 176.000 -0.444 0.000 0.961 335 Q CA 0.881 56.444 55.803 -0.400 0.000 0.945 335 Q CB -0.312 28.146 28.738 -0.466 0.000 1.012 335 Q HN 0.589 nan 8.270 nan 0.000 0.515 336 A N 0.691 123.338 122.820 -0.287 0.000 2.030 336 A HA 0.181 4.494 4.320 -0.012 0.000 0.215 336 A C 2.067 179.539 177.584 -0.188 0.000 1.164 336 A CA 0.235 52.182 52.037 -0.149 0.000 0.697 336 A CB -0.167 18.778 19.000 -0.091 0.000 0.827 336 A HN 0.301 nan 8.150 nan 0.000 0.457 337 I N -0.388 120.014 120.570 -0.279 0.000 2.480 337 I HA -0.152 4.010 4.170 -0.012 0.000 0.251 337 I C 2.150 178.104 176.117 -0.271 0.000 1.124 337 I CA 0.874 61.990 61.300 -0.306 0.000 1.444 337 I CB -0.296 37.378 38.000 -0.544 0.000 1.098 337 I HN 0.382 nan 8.210 nan 0.000 0.428 338 E N 1.171 121.176 120.200 -0.325 0.000 2.209 338 E HA -0.228 4.115 4.350 -0.012 0.000 0.196 338 E C 2.224 178.746 176.600 -0.131 0.000 0.993 338 E CA 1.268 57.522 56.400 -0.243 0.000 0.819 338 E CB -0.101 29.440 29.700 -0.266 0.000 0.745 338 E HN 0.527 nan 8.360 nan 0.000 0.477 339 A N 1.689 124.445 122.820 -0.107 0.000 1.874 339 A HA -0.153 4.160 4.320 -0.012 0.000 0.214 339 A C 2.062 179.668 177.584 0.037 0.000 1.189 339 A CA 1.276 53.303 52.037 -0.018 0.000 0.615 339 A CB -0.257 18.756 19.000 0.021 0.000 0.830 339 A HN 0.077 nan 8.150 nan 0.000 0.443 340 K N -0.132 120.299 120.400 0.052 0.000 1.991 340 K HA -0.178 4.135 4.320 -0.012 0.000 0.212 340 K C 1.239 177.897 176.600 0.097 0.000 1.049 340 K CA 1.703 58.103 56.287 0.188 0.000 0.932 340 K CB -0.193 32.453 32.500 0.243 0.000 0.717 340 K HN 0.292 nan 8.250 nan 0.000 0.441 341 E N -0.441 119.783 120.200 0.039 0.000 2.511 341 E HA -0.015 4.328 4.350 -0.012 0.000 0.196 341 E C 1.226 177.837 176.600 0.018 0.000 1.066 341 E CA 0.790 57.216 56.400 0.042 0.000 0.871 341 E CB 0.308 30.033 29.700 0.041 0.000 0.863 341 E HN 0.702 nan 8.360 nan 0.000 0.520 342 G N 1.762 110.568 108.800 0.011 0.000 2.412 342 G HA2 -0.369 3.584 3.960 -0.012 0.000 0.252 342 G HA3 -0.369 3.584 3.960 -0.012 0.000 0.252 342 G C 0.544 175.438 174.900 -0.010 0.000 1.038 342 G CA 0.645 45.750 45.100 0.007 0.000 0.628 342 G HN 0.419 nan 8.290 nan 0.000 0.531 343 L N 1.652 122.863 121.223 -0.020 0.000 2.605 343 L HA 0.154 4.487 4.340 -0.012 0.000 0.296 343 L C 1.149 177.995 176.870 -0.040 0.000 1.255 343 L CA 0.505 55.328 54.840 -0.028 0.000 0.879 343 L CB 0.406 42.441 42.059 -0.041 0.000 1.124 343 L HN 0.522 nan 8.230 nan 0.000 0.507 344 E N 4.965 125.149 120.200 -0.027 0.000 2.694 344 E HA -0.075 4.268 4.350 -0.012 0.000 0.250 344 E C -0.392 176.178 176.600 -0.050 0.000 0.963 344 E CA -0.098 56.285 56.400 -0.027 0.000 0.949 344 E CB 0.301 29.994 29.700 -0.013 0.000 0.911 344 E HN 0.473 nan 8.360 nan 0.000 0.500 345 I N 5.632 126.164 120.570 -0.064 0.000 2.357 345 I HA -0.039 4.124 4.170 -0.012 0.000 0.300 345 I C 0.802 176.876 176.117 -0.072 0.000 1.159 345 I CA 0.210 61.444 61.300 -0.110 0.000 1.339 345 I CB 0.113 38.026 38.000 -0.146 0.000 1.458 345 I HN 0.504 nan 8.210 nan 0.000 0.577 346 Q N 5.243 125.017 119.800 -0.043 0.000 2.301 346 Q HA -0.003 4.330 4.340 -0.012 0.000 0.262 346 Q C -0.160 175.831 176.000 -0.016 0.000 1.168 346 Q CA -0.056 55.740 55.803 -0.012 0.000 0.908 346 Q CB 0.278 29.025 28.738 0.016 0.000 1.348 346 Q HN 0.515 nan 8.270 nan 0.000 0.441 347 N N 3.572 122.264 118.700 -0.013 0.000 2.426 347 N HA 0.108 4.841 4.740 -0.012 0.000 0.275 347 N C -0.879 174.637 175.510 0.011 0.000 1.019 347 N CA -0.060 52.990 53.050 0.000 0.000 0.941 347 N CB 0.855 39.352 38.487 0.017 0.000 1.123 347 N HN 0.383 nan 8.380 nan 0.000 0.486 348 E N 0.904 121.112 120.200 0.013 0.000 2.524 348 E HA 0.384 4.727 4.350 -0.012 0.000 0.219 348 E C -0.727 175.886 176.600 0.022 0.000 0.776 348 E CA -0.680 55.727 56.400 0.013 0.000 0.944 348 E CB 0.473 30.174 29.700 0.001 0.000 1.719 348 E HN 0.587 nan 8.360 nan 0.000 0.384 349 S N 0.609 116.322 115.700 0.021 0.000 2.577 349 S HA 0.474 4.937 4.470 -0.012 0.000 0.294 349 S C 0.423 175.039 174.600 0.027 0.000 1.161 349 S CA -0.823 57.395 58.200 0.029 0.000 1.143 349 S CB -0.383 62.839 63.200 0.036 0.000 0.991 349 S HN 0.448 nan 8.310 nan 0.000 0.475 350 M N 1.695 121.310 119.600 0.024 0.000 2.226 350 M HA 0.426 4.899 4.480 -0.012 0.000 0.324 350 M C -0.067 176.247 176.300 0.023 0.000 1.112 350 M CA -0.197 55.110 55.300 0.012 0.000 1.176 350 M CB -0.177 32.429 32.600 0.010 0.000 1.430 350 M HN 0.332 nan 8.290 nan 0.000 0.462 351 T N 1.708 116.265 114.554 0.005 0.000 2.868 351 T HA 0.400 4.743 4.350 -0.012 0.000 0.292 351 T C 1.090 175.801 174.700 0.018 0.000 1.028 351 T CA -0.530 61.583 62.100 0.022 0.000 1.059 351 T CB 0.969 69.834 68.868 -0.006 0.000 0.991 351 T HN 0.660 nan 8.240 nan 0.000 0.531 352 L N 0.206 121.465 121.223 0.060 0.000 2.515 352 L HA 0.578 4.911 4.340 -0.012 0.000 0.202 352 L C 0.906 177.854 176.870 0.131 0.000 1.056 352 L CA -0.141 54.748 54.840 0.082 0.000 0.847 352 L CB -0.088 42.034 42.059 0.105 0.000 1.131 352 L HN 0.634 nan 8.230 nan 0.000 0.484 353 A N -0.705 122.222 122.820 0.180 0.000 2.606 353 A HA 0.733 5.046 4.320 -0.012 0.000 0.293 353 A C -0.918 176.810 177.584 0.240 0.000 1.082 353 A CA -0.276 51.933 52.037 0.287 0.000 0.685 353 A CB 2.171 21.401 19.000 0.384 0.000 1.284 353 A HN -0.070 nan 8.150 nan 0.000 0.408 354 T N 0.048 114.760 114.554 0.264 0.000 2.977 354 T HA 0.590 4.933 4.350 -0.012 0.000 0.345 354 T C -1.745 173.075 174.700 0.200 0.000 1.562 354 T CA 0.234 62.450 62.100 0.194 0.000 1.090 354 T CB 0.564 69.494 68.868 0.103 0.000 1.383 354 T HN 1.882 nan 8.240 nan 0.000 0.484 355 I N 0.155 120.816 120.570 0.153 0.000 2.918 355 I HA 0.712 4.875 4.170 -0.012 0.000 0.301 355 I C -0.631 175.522 176.117 0.060 0.000 1.312 355 I CA -0.845 60.535 61.300 0.134 0.000 1.007 355 I CB 2.274 40.389 38.000 0.191 0.000 1.281 355 I HN 0.584 nan 8.210 nan 0.000 0.440 356 T N 3.254 117.851 114.554 0.072 0.000 2.856 356 T HA 0.424 4.767 4.350 -0.012 0.000 0.292 356 T C 0.820 175.637 174.700 0.195 0.000 0.980 356 T CA -0.160 61.975 62.100 0.058 0.000 1.091 356 T CB 0.324 69.232 68.868 0.068 0.000 0.936 356 T HN 0.582 nan 8.240 nan 0.000 0.503 357 F N 1.875 121.852 119.950 0.044 0.000 2.085 357 F HA -0.274 4.246 4.527 -0.011 0.000 0.299 357 F C 2.635 178.574 175.800 0.231 0.000 1.096 357 F CA 1.106 59.161 58.000 0.091 0.000 1.227 357 F CB -0.047 39.051 39.000 0.165 0.000 0.983 357 F HN 0.601 nan 8.300 nan 0.000 0.482 358 Q N 0.374 120.456 119.800 0.469 0.000 2.096 358 Q HA -0.252 4.081 4.340 -0.012 0.000 0.208 358 Q C 1.704 177.937 176.000 0.388 0.000 0.993 358 Q CA 1.797 57.889 55.803 0.482 0.000 0.862 358 Q CB -0.570 28.314 28.738 0.242 0.000 0.915 358 Q HN 0.286 nan 8.270 nan 0.000 0.416 359 N N -1.170 117.669 118.700 0.232 0.000 2.396 359 N HA -0.120 4.613 4.740 -0.012 0.000 0.180 359 N C 1.343 176.892 175.510 0.065 0.000 1.028 359 N CA 0.597 53.727 53.050 0.133 0.000 0.893 359 N CB -0.085 38.452 38.487 0.082 0.000 0.967 359 N HN 0.314 nan 8.380 nan 0.000 0.440 360 Y N 0.888 121.145 120.300 -0.072 0.000 2.084 360 Y HA -0.094 4.448 4.550 -0.012 0.000 0.279 360 Y C 1.569 177.332 175.900 -0.230 0.000 1.119 360 Y CA 1.527 59.445 58.100 -0.303 0.000 1.101 360 Y CB -0.850 37.314 38.460 -0.493 0.000 0.989 360 Y HN -0.119 nan 8.280 nan 0.000 0.484 361 F N 0.565 120.565 119.950 0.083 0.000 2.667 361 F HA -0.101 4.419 4.527 -0.012 0.000 0.295 361 F C 2.089 177.845 175.800 -0.072 0.000 1.185 361 F CA 0.787 58.733 58.000 -0.091 0.000 1.479 361 F CB -0.213 38.647 39.000 -0.233 0.000 1.116 361 F HN 0.078 nan 8.300 nan 0.000 0.606 362 R N -0.947 119.617 120.500 0.105 0.000 2.265 362 R HA 0.111 4.444 4.340 -0.012 0.000 0.194 362 R C 1.925 178.237 176.300 0.020 0.000 0.931 362 R CA 0.195 56.361 56.100 0.111 0.000 1.032 362 R CB 0.022 30.412 30.300 0.150 0.000 0.980 362 R HN 0.372 nan 8.270 nan 0.000 0.497 363 M N -0.183 119.356 119.600 -0.101 0.000 2.077 363 M HA -0.093 4.380 4.480 -0.012 0.000 0.261 363 M C -0.008 176.209 176.300 -0.138 0.000 1.070 363 M CA 1.264 56.445 55.300 -0.198 0.000 1.125 363 M CB -0.208 32.118 32.600 -0.456 0.000 1.339 363 M HN -0.085 nan 8.290 nan 0.000 0.409 364 Y N 2.128 122.286 120.300 -0.237 0.000 2.969 364 Y HA -0.189 4.353 4.550 -0.012 0.000 0.339 364 Y C 1.467 177.346 175.900 -0.034 0.000 1.272 364 Y CA 0.571 58.590 58.100 -0.136 0.000 1.577 364 Y CB -0.255 38.111 38.460 -0.157 0.000 1.234 364 Y HN 0.270 nan 8.280 nan 0.000 0.590 365 E N 1.669 121.962 120.200 0.155 0.000 2.147 365 E HA -0.240 4.103 4.350 -0.012 0.000 0.199 365 E C 0.483 177.172 176.600 0.148 0.000 1.005 365 E CA 1.478 57.964 56.400 0.145 0.000 0.810 365 E CB 0.133 29.956 29.700 0.206 0.000 0.736 365 E HN 0.438 nan 8.360 nan 0.000 0.460 366 K N -0.016 120.507 120.400 0.204 0.000 2.502 366 K HA 0.427 4.740 4.320 -0.012 0.000 0.257 366 K C -1.933 174.769 176.600 0.170 0.000 0.938 366 K CA -0.725 55.695 56.287 0.221 0.000 0.819 366 K CB 1.627 34.294 32.500 0.278 0.000 1.333 366 K HN -0.063 nan 8.250 nan 0.000 0.434 367 L N 2.035 123.288 121.223 0.050 0.000 2.393 367 L HA 0.929 5.261 4.340 -0.012 0.000 0.260 367 L C -1.880 174.893 176.870 -0.162 0.000 1.002 367 L CA -0.169 54.556 54.840 -0.192 0.000 0.818 367 L CB 2.215 44.173 42.059 -0.168 0.000 1.369 367 L HN 0.867 nan 8.230 nan 0.000 0.412 368 A N 1.465 124.087 122.820 -0.330 0.000 2.586 368 A HA 0.887 5.200 4.320 -0.012 0.000 0.291 368 A C -0.985 176.408 177.584 -0.318 0.000 1.062 368 A CA -0.028 51.873 52.037 -0.226 0.000 0.666 368 A CB 1.019 19.998 19.000 -0.034 0.000 1.281 368 A HN 1.418 nan 8.150 nan 0.000 0.421 369 G N -0.314 108.329 108.800 -0.261 0.000 2.677 369 G HA2 0.752 4.705 3.960 -0.012 0.000 0.291 369 G HA3 0.752 4.705 3.960 -0.012 0.000 0.291 369 G C -0.813 173.961 174.900 -0.210 0.000 1.435 369 G CA -0.039 44.897 45.100 -0.273 0.000 0.826 369 G HN 1.747 nan 8.290 nan 0.000 0.491 370 M N -0.039 119.454 119.600 -0.178 0.000 2.457 370 M HA 0.893 5.366 4.480 -0.012 0.000 0.300 370 M C -0.886 175.348 176.300 -0.110 0.000 1.141 370 M CA -0.717 54.504 55.300 -0.131 0.000 0.901 370 M CB 2.403 34.943 32.600 -0.100 0.000 1.687 370 M HN 0.839 nan 8.290 nan 0.000 0.449 371 T N 0.238 114.739 114.554 -0.088 0.000 2.686 371 T HA 0.521 4.864 4.350 -0.012 0.000 0.308 371 T C -0.033 174.639 174.700 -0.045 0.000 1.667 371 T CA 0.159 62.224 62.100 -0.058 0.000 0.987 371 T CB 1.222 70.062 68.868 -0.046 0.000 1.652 371 T HN 0.983 nan 8.240 nan 0.000 0.496 372 G N 0.810 109.595 108.800 -0.026 0.000 3.126 372 G HA2 0.408 4.361 3.960 -0.012 0.000 0.224 372 G HA3 0.408 4.361 3.960 -0.012 0.000 0.224 372 G C 0.197 175.090 174.900 -0.012 0.000 1.142 372 G CA 0.566 45.654 45.100 -0.020 0.000 0.759 372 G HN 1.196 nan 8.290 nan 0.000 0.550 373 T N -3.506 111.044 114.554 -0.006 0.000 3.186 373 T HA 0.680 5.023 4.350 -0.012 0.000 0.320 373 T C 0.076 174.793 174.700 0.030 0.000 0.955 373 T CA 0.137 62.242 62.100 0.008 0.000 1.030 373 T CB 1.565 70.442 68.868 0.016 0.000 1.013 373 T HN 0.261 nan 8.240 nan 0.000 0.454 374 A N 2.781 125.616 122.820 0.024 0.000 1.895 374 A HA 0.374 4.687 4.320 -0.012 0.000 0.198 374 A C 1.990 179.629 177.584 0.090 0.000 1.709 374 A CA -0.190 51.899 52.037 0.087 0.000 1.194 374 A CB -0.105 18.866 19.000 -0.047 0.000 1.260 374 A HN 0.509 nan 8.150 nan 0.000 0.441 375 K N 0.966 121.372 120.400 0.011 0.000 2.127 375 K HA -0.155 4.158 4.320 -0.012 0.000 0.208 375 K C 1.896 178.493 176.600 -0.006 0.000 1.047 375 K CA 2.078 58.356 56.287 -0.015 0.000 0.927 375 K CB -0.885 31.584 32.500 -0.052 0.000 0.716 375 K HN 0.585 nan 8.250 nan 0.000 0.450 376 T N 0.954 115.510 114.554 0.004 0.000 2.555 376 T HA -0.178 4.165 4.350 -0.012 0.000 0.264 376 T C 0.982 175.670 174.700 -0.020 0.000 1.083 376 T CA 1.455 63.550 62.100 -0.009 0.000 1.179 376 T CB -0.169 68.699 68.868 0.001 0.000 0.863 376 T HN 0.312 nan 8.240 nan 0.000 0.412 377 E N 0.875 121.078 120.200 0.004 0.000 2.354 377 E HA 0.139 4.482 4.350 -0.012 0.000 0.252 377 E C 1.421 178.005 176.600 -0.027 0.000 1.330 377 E CA -0.237 56.119 56.400 -0.074 0.000 1.658 377 E CB 0.184 29.810 29.700 -0.123 0.000 1.460 377 E HN 0.411 nan 8.360 nan 0.000 0.435 378 E N 1.359 121.575 120.200 0.026 0.000 2.047 378 E HA -0.249 4.094 4.350 -0.012 0.000 0.191 378 E C 1.584 178.202 176.600 0.029 0.000 0.987 378 E CA 1.327 57.791 56.400 0.107 0.000 0.799 378 E CB 0.273 29.979 29.700 0.010 0.000 0.752 378 E HN 0.533 nan 8.360 nan 0.000 0.449 379 E N 0.185 120.292 120.200 -0.156 0.000 2.268 379 E HA -0.169 4.174 4.350 -0.012 0.000 0.195 379 E C 1.897 178.226 176.600 -0.452 0.000 0.995 379 E CA 0.620 56.871 56.400 -0.248 0.000 0.836 379 E CB -0.097 29.434 29.700 -0.282 0.000 0.763 379 E HN 0.157 nan 8.360 nan 0.000 0.491 380 E N 0.676 120.486 120.200 -0.650 0.000 2.049 380 E HA -0.181 4.162 4.350 -0.012 0.000 0.198 380 E C 1.762 178.128 176.600 -0.389 0.000 1.007 380 E CA 1.454 57.378 56.400 -0.793 0.000 0.809 380 E CB -0.291 28.987 29.700 -0.703 0.000 0.749 380 E HN 0.379 nan 8.360 nan 0.000 0.450 381 F N 0.702 120.584 119.950 -0.112 0.000 2.010 381 F HA -0.187 4.334 4.527 -0.011 0.000 0.296 381 F C 2.834 178.630 175.800 -0.007 0.000 1.146 381 F CA 1.529 59.541 58.000 0.021 0.000 1.181 381 F CB -0.680 38.358 39.000 0.063 0.000 0.965 381 F HN -0.023 nan 8.300 nan 0.000 0.480 382 R N 0.737 121.355 120.500 0.197 0.000 2.178 382 R HA -0.288 4.045 4.340 -0.012 0.000 0.257 382 R C 2.198 178.532 176.300 0.056 0.000 1.163 382 R CA 2.042 58.198 56.100 0.093 0.000 0.981 382 R CB -0.580 29.742 30.300 0.038 0.000 0.878 382 R HN 0.338 nan 8.270 nan 0.000 0.454 383 N N 0.314 119.025 118.700 0.020 0.000 2.173 383 N HA -0.096 4.637 4.740 -0.012 0.000 0.184 383 N C 1.781 177.297 175.510 0.011 0.000 1.025 383 N CA 1.553 54.629 53.050 0.044 0.000 0.852 383 N CB 0.018 38.592 38.487 0.145 0.000 0.998 383 N HN 0.302 nan 8.380 nan 0.000 0.427 384 I N -0.885 119.634 120.570 -0.085 0.000 2.585 384 I HA -0.103 4.059 4.170 -0.012 0.000 0.254 384 I C 0.786 176.706 176.117 -0.327 0.000 1.129 384 I CA 0.571 61.699 61.300 -0.286 0.000 1.455 384 I CB 0.039 37.712 38.000 -0.545 0.000 1.111 384 I HN 0.079 nan 8.210 nan 0.000 0.433 385 Y N -0.395 119.982 120.300 0.127 0.000 2.584 385 Y HA 0.247 4.790 4.550 -0.012 0.000 0.254 385 Y C 0.893 176.849 175.900 0.093 0.000 1.177 385 Y CA -0.449 57.725 58.100 0.124 0.000 1.216 385 Y CB 0.133 38.697 38.460 0.174 0.000 1.172 385 Y HN 0.114 nan 8.280 nan 0.000 0.529 386 N N 1.378 120.186 118.700 0.179 0.000 2.678 386 N HA -0.223 4.510 4.740 -0.012 0.000 0.249 386 N C -0.603 174.974 175.510 0.112 0.000 1.119 386 N CA 0.885 54.004 53.050 0.115 0.000 0.718 386 N CB -0.737 37.803 38.487 0.088 0.000 1.060 386 N HN 0.416 nan 8.380 nan 0.000 0.552 387 M N 0.682 120.374 119.600 0.153 0.000 2.423 387 M HA 0.236 4.709 4.480 -0.012 0.000 0.335 387 M C 0.402 176.724 176.300 0.037 0.000 1.177 387 M CA -0.261 55.087 55.300 0.080 0.000 1.038 387 M CB 1.825 34.462 32.600 0.062 0.000 1.641 387 M HN -0.028 nan 8.290 nan 0.000 0.455 388 Q N 0.940 120.729 119.800 -0.019 0.000 2.215 388 Q HA 0.580 4.913 4.340 -0.012 0.000 0.256 388 Q C -1.161 174.780 176.000 -0.099 0.000 0.972 388 Q CA -0.810 54.968 55.803 -0.040 0.000 0.889 388 Q CB 2.598 31.311 28.738 -0.041 0.000 1.281 388 Q HN 0.460 nan 8.270 nan 0.000 0.456 389 V N 2.283 122.136 119.914 -0.101 0.000 2.350 389 V HA 0.248 4.361 4.120 -0.012 0.000 0.276 389 V C -0.529 175.500 176.094 -0.109 0.000 1.028 389 V CA -0.579 61.637 62.300 -0.140 0.000 0.860 389 V CB 1.373 33.118 31.823 -0.129 0.000 0.990 389 V HN 0.473 nan 8.190 nan 0.000 0.453 390 V N 4.124 123.985 119.914 -0.088 0.000 2.328 390 V HA 0.291 4.404 4.120 -0.012 0.000 0.278 390 V C 0.494 176.557 176.094 -0.052 0.000 1.021 390 V CA -0.427 61.834 62.300 -0.064 0.000 0.838 390 V CB 1.469 33.286 31.823 -0.009 0.000 0.999 390 V HN 0.885 nan 8.190 nan 0.000 0.447 391 T N 6.878 121.391 114.554 -0.068 0.000 2.727 391 T HA 0.384 4.727 4.350 -0.012 0.000 0.295 391 T C 0.175 174.861 174.700 -0.023 0.000 0.915 391 T CA -0.119 61.949 62.100 -0.054 0.000 1.066 391 T CB -0.034 68.790 68.868 -0.072 0.000 0.891 391 T HN 0.314 nan 8.240 nan 0.000 0.516 392 I N 5.281 125.847 120.570 -0.006 0.000 2.428 392 I HA 0.291 4.453 4.170 -0.012 0.000 0.289 392 I C -1.750 174.368 176.117 0.001 0.000 1.019 392 I CA -3.104 58.205 61.300 0.015 0.000 1.351 392 I CB -0.011 38.004 38.000 0.024 0.000 1.412 392 I HN 0.306 nan 8.210 nan 0.000 0.513 393 P HA 0.038 nan 4.420 nan 0.000 0.272 393 P C -0.249 177.037 177.300 -0.022 0.000 1.243 393 P CA 0.160 63.257 63.100 -0.004 0.000 0.803 393 P CB 0.388 32.091 31.700 0.005 0.000 0.974 394 T N 0.401 114.933 114.554 -0.036 0.000 2.829 394 T HA 0.126 4.469 4.350 -0.012 0.000 0.282 394 T C 1.307 175.945 174.700 -0.102 0.000 0.990 394 T CA -0.436 61.625 62.100 -0.066 0.000 1.028 394 T CB 0.373 69.204 68.868 -0.061 0.000 0.951 394 T HN 0.419 nan 8.240 nan 0.000 0.460 395 N N 2.270 120.865 118.700 -0.176 0.000 2.049 395 N HA -0.168 4.565 4.740 -0.012 0.000 0.198 395 N C 0.175 175.551 175.510 -0.223 0.000 1.030 395 N CA 1.285 54.155 53.050 -0.301 0.000 0.870 395 N CB 0.199 38.305 38.487 -0.635 0.000 1.045 395 N HN 0.480 nan 8.380 nan 0.000 0.434 396 R N 0.488 120.877 120.500 -0.185 0.000 2.686 396 R HA 0.394 4.726 4.340 -0.012 0.000 0.286 396 R C -2.518 173.735 176.300 -0.078 0.000 0.969 396 R CA -1.808 54.220 56.100 -0.120 0.000 0.898 396 R CB 1.783 32.008 30.300 -0.125 0.000 1.183 396 R HN 0.172 nan 8.270 nan 0.000 0.456 397 P HA -0.038 nan 4.420 nan 0.000 0.265 397 P C 0.028 177.309 177.300 -0.032 0.000 1.193 397 P CA -0.114 62.966 63.100 -0.034 0.000 0.765 397 P CB 0.629 32.315 31.700 -0.023 0.000 0.823 398 V N 1.587 121.486 119.914 -0.025 0.000 2.488 398 V HA 0.280 4.393 4.120 -0.012 0.000 0.277 398 V C 0.303 176.389 176.094 -0.013 0.000 1.046 398 V CA -0.321 61.967 62.300 -0.020 0.000 0.986 398 V CB 1.022 32.836 31.823 -0.015 0.000 0.989 398 V HN 0.290 nan 8.190 nan 0.000 0.475 399 V N 5.781 125.687 119.914 -0.013 0.000 2.462 399 V HA 0.482 4.594 4.120 -0.012 0.000 0.257 399 V C 0.154 176.244 176.094 -0.008 0.000 0.944 399 V CA -0.266 62.028 62.300 -0.009 0.000 0.903 399 V CB 0.347 32.164 31.823 -0.010 0.000 1.128 399 V HN 1.027 nan 8.190 nan 0.000 0.486 400 R N 0.805 121.301 120.500 -0.005 0.000 2.803 400 R HA 0.466 4.798 4.340 -0.012 0.000 0.276 400 R C -0.990 175.309 176.300 -0.002 0.000 0.978 400 R CA -0.779 55.318 56.100 -0.005 0.000 0.939 400 R CB 1.796 32.093 30.300 -0.004 0.000 1.179 400 R HN 0.342 nan 8.270 nan 0.000 0.472 401 D N 2.218 122.616 120.400 -0.004 0.000 2.435 401 D HA 0.059 4.692 4.640 -0.012 0.000 0.230 401 D C -0.906 175.393 176.300 -0.002 0.000 1.215 401 D CA 0.310 54.308 54.000 -0.004 0.000 0.947 401 D CB 0.690 41.485 40.800 -0.009 0.000 1.048 401 D HN 0.303 nan 8.370 nan 0.000 0.512 402 D N 2.721 123.126 120.400 0.009 0.000 2.619 402 D HA 0.038 4.670 4.640 -0.012 0.000 0.224 402 D C 0.564 176.878 176.300 0.023 0.000 1.133 402 D CA -0.328 53.688 54.000 0.026 0.000 1.017 402 D CB 0.322 41.144 40.800 0.037 0.000 1.077 402 D HN -0.011 nan 8.370 nan 0.000 0.503 403 R N 2.104 122.608 120.500 0.006 0.000 2.640 403 R HA 0.113 4.446 4.340 -0.012 0.000 0.270 403 R C -2.049 174.257 176.300 0.009 0.000 1.024 403 R CA -1.012 55.084 56.100 -0.006 0.000 1.085 403 R CB -0.183 30.094 30.300 -0.039 0.000 0.963 403 R HN 0.226 nan 8.270 nan 0.000 0.426 404 P HA 0.012 nan 4.420 nan 0.000 0.271 404 P C -0.707 176.595 177.300 0.003 0.000 1.218 404 P CA -0.308 62.798 63.100 0.010 0.000 0.780 404 P CB 0.574 32.276 31.700 0.004 0.000 0.901 405 D N 1.898 122.311 120.400 0.023 0.000 2.443 405 D HA 0.019 4.652 4.640 -0.012 0.000 0.234 405 D C 0.258 176.574 176.300 0.026 0.000 1.172 405 D CA 0.624 54.641 54.000 0.028 0.000 0.878 405 D CB 0.512 41.337 40.800 0.043 0.000 1.204 405 D HN 0.314 nan 8.370 nan 0.000 0.453 406 L N 2.348 123.596 121.223 0.043 0.000 2.324 406 L HA 0.300 4.633 4.340 -0.012 0.000 0.274 406 L C -0.258 176.812 176.870 0.334 0.000 1.012 406 L CA -0.884 54.056 54.840 0.167 0.000 0.859 406 L CB 0.681 42.873 42.059 0.221 0.000 1.224 406 L HN 0.116 nan 8.230 nan 0.000 0.429 407 I N 2.920 123.631 120.570 0.235 0.000 2.529 407 I HA 0.144 4.307 4.170 -0.012 0.000 0.284 407 I C -0.345 175.967 176.117 0.324 0.000 1.082 407 I CA 0.367 61.817 61.300 0.251 0.000 1.406 407 I CB 0.057 38.130 38.000 0.122 0.000 1.405 407 I HN 0.227 nan 8.210 nan 0.000 0.548 408 Y N 4.288 124.633 120.300 0.075 0.000 2.485 408 Y HA 0.484 5.027 4.550 -0.012 0.000 0.345 408 Y C 0.902 176.838 175.900 0.059 0.000 0.998 408 Y CA -0.984 57.157 58.100 0.068 0.000 1.059 408 Y CB 1.568 40.068 38.460 0.068 0.000 1.234 408 Y HN 0.432 nan 8.280 nan 0.000 0.461 409 R N 0.626 121.216 120.500 0.150 0.000 2.066 409 R HA 0.021 4.353 4.340 -0.012 0.000 0.224 409 R C 0.064 176.442 176.300 0.130 0.000 1.122 409 R CA 1.352 57.516 56.100 0.108 0.000 0.974 409 R CB -0.524 29.811 30.300 0.058 0.000 0.871 409 R HN 0.711 nan 8.270 nan 0.000 0.435 410 T N -1.365 113.283 114.554 0.157 0.000 2.749 410 T HA 0.187 4.530 4.350 -0.012 0.000 0.295 410 T C 1.208 176.023 174.700 0.191 0.000 0.936 410 T CA -0.383 61.806 62.100 0.149 0.000 1.060 410 T CB 1.018 69.967 68.868 0.134 0.000 0.904 410 T HN 0.304 nan 8.240 nan 0.000 0.500 411 M N 2.240 121.937 119.600 0.160 0.000 2.059 411 M HA -0.088 4.385 4.480 -0.012 0.000 0.259 411 M C 1.702 178.178 176.300 0.293 0.000 1.072 411 M CA 1.676 57.100 55.300 0.207 0.000 1.117 411 M CB -0.141 32.551 32.600 0.153 0.000 1.320 411 M HN 0.582 nan 8.290 nan 0.000 0.408 412 E N -0.170 120.125 120.200 0.160 0.000 2.516 412 E HA -0.011 4.332 4.350 -0.012 0.000 0.199 412 E C 1.712 178.405 176.600 0.156 0.000 1.069 412 E CA 0.896 57.358 56.400 0.103 0.000 0.876 412 E CB -0.218 29.481 29.700 -0.002 0.000 0.843 412 E HN 0.770 nan 8.360 nan 0.000 0.530 413 G N 2.128 111.038 108.800 0.184 0.000 2.510 413 G HA2 -0.192 3.760 3.960 -0.012 0.000 0.212 413 G HA3 -0.192 3.760 3.960 -0.012 0.000 0.212 413 G C 1.612 176.628 174.900 0.192 0.000 1.151 413 G CA 0.456 45.666 45.100 0.184 0.000 0.817 413 G HN 0.281 nan 8.290 nan 0.000 0.534 414 K N -0.193 120.268 120.400 0.102 0.000 2.057 414 K HA 0.040 4.353 4.320 -0.012 0.000 0.206 414 K C 1.997 178.311 176.600 -0.476 0.000 1.050 414 K CA 1.117 57.108 56.287 -0.493 0.000 0.935 414 K CB -0.630 31.420 32.500 -0.749 0.000 0.715 414 K HN 0.175 nan 8.250 nan 0.000 0.439 415 F N 2.312 122.105 119.950 -0.261 0.000 2.154 415 F HA -0.132 4.387 4.527 -0.012 0.000 0.301 415 F C 2.329 178.008 175.800 -0.201 0.000 1.087 415 F CA 1.473 59.338 58.000 -0.225 0.000 1.274 415 F CB -0.242 38.680 39.000 -0.130 0.000 1.009 415 F HN 0.002 nan 8.300 nan 0.000 0.485 416 K N -0.131 120.294 120.400 0.042 0.000 2.147 416 K HA -0.130 4.183 4.320 -0.012 0.000 0.205 416 K C 2.300 178.864 176.600 -0.060 0.000 1.049 416 K CA 1.172 57.464 56.287 0.009 0.000 0.936 416 K CB -0.484 32.042 32.500 0.044 0.000 0.722 416 K HN 0.296 nan 8.250 nan 0.000 0.446 417 A N 0.963 123.700 122.820 -0.139 0.000 1.898 417 A HA -0.072 4.241 4.320 -0.012 0.000 0.214 417 A C 2.393 179.739 177.584 -0.397 0.000 1.183 417 A CA 0.998 52.923 52.037 -0.186 0.000 0.622 417 A CB -0.482 18.445 19.000 -0.120 0.000 0.824 417 A HN 0.036 nan 8.150 nan 0.000 0.444 418 V N 0.195 119.698 119.914 -0.686 0.000 2.261 418 V HA -0.262 3.850 4.120 -0.012 0.000 0.246 418 V C 3.071 179.009 176.094 -0.260 0.000 1.047 418 V CA 2.016 63.915 62.300 -0.668 0.000 1.015 418 V CB -1.430 29.989 31.823 -0.674 0.000 0.642 418 V HN 0.586 nan 8.190 nan 0.000 0.446 419 A N 0.431 123.148 122.820 -0.171 0.000 1.948 419 A HA -0.296 4.016 4.320 -0.012 0.000 0.220 419 A C 2.200 179.747 177.584 -0.061 0.000 1.177 419 A CA 2.319 54.307 52.037 -0.080 0.000 0.636 419 A CB -0.523 18.453 19.000 -0.040 0.000 0.815 419 A HN 0.683 nan 8.150 nan 0.000 0.449 420 E N 0.412 120.574 120.200 -0.063 0.000 2.072 420 E HA -0.179 4.163 4.350 -0.012 0.000 0.190 420 E C 1.639 178.239 176.600 0.001 0.000 0.982 420 E CA 1.502 57.890 56.400 -0.021 0.000 0.803 420 E CB -0.384 29.310 29.700 -0.010 0.000 0.755 420 E HN 0.467 nan 8.360 nan 0.000 0.453 421 D N 0.099 120.493 120.400 -0.011 0.000 2.108 421 D HA -0.191 4.442 4.640 -0.012 0.000 0.190 421 D C 2.037 178.367 176.300 0.049 0.000 0.995 421 D CA 2.022 56.050 54.000 0.047 0.000 0.834 421 D CB -0.579 40.281 40.800 0.100 0.000 0.967 421 D HN 0.176 nan 8.370 nan 0.000 0.446 422 V N 0.858 120.789 119.914 0.028 0.000 2.380 422 V HA -0.279 3.834 4.120 -0.012 0.000 0.251 422 V C 2.386 178.526 176.094 0.078 0.000 1.063 422 V CA 2.731 65.055 62.300 0.040 0.000 1.055 422 V CB -0.861 30.961 31.823 -0.001 0.000 0.657 422 V HN 0.339 nan 8.190 nan 0.000 0.455 423 A N 0.516 123.369 122.820 0.056 0.000 1.859 423 A HA -0.338 3.975 4.320 -0.012 0.000 0.217 423 A C 2.128 179.794 177.584 0.136 0.000 1.198 423 A CA 2.419 54.515 52.037 0.098 0.000 0.629 423 A CB -0.730 18.302 19.000 0.052 0.000 0.830 423 A HN 0.846 nan 8.150 nan 0.000 0.446 424 Q N -1.576 118.275 119.800 0.084 0.000 2.123 424 Q HA -0.073 4.260 4.340 -0.012 0.000 0.199 424 Q C 2.087 178.124 176.000 0.062 0.000 0.966 424 Q CA 0.810 56.651 55.803 0.063 0.000 0.845 424 Q CB -0.306 28.458 28.738 0.044 0.000 0.907 424 Q HN 0.451 nan 8.270 nan 0.000 0.439 425 R N 0.318 120.866 120.500 0.080 0.000 2.083 425 R HA -0.177 4.156 4.340 -0.012 0.000 0.237 425 R C 2.151 178.510 176.300 0.099 0.000 1.137 425 R CA 1.723 57.868 56.100 0.075 0.000 0.951 425 R CB -0.827 29.519 30.300 0.078 0.000 0.851 425 R HN 0.435 nan 8.270 nan 0.000 0.434 426 Y N 1.327 121.631 120.300 0.007 0.000 2.089 426 Y HA -0.149 4.394 4.550 -0.012 0.000 0.282 426 Y C 2.360 178.264 175.900 0.007 0.000 1.139 426 Y CA 1.578 59.683 58.100 0.007 0.000 1.123 426 Y CB -0.557 37.907 38.460 0.006 0.000 0.980 426 Y HN -0.103 nan 8.280 nan 0.000 0.493 427 M N -0.746 118.755 119.600 -0.165 0.000 2.260 427 M HA -0.248 4.225 4.480 -0.012 0.000 0.261 427 M C 2.053 178.233 176.300 -0.199 0.000 1.066 427 M CA 2.151 57.297 55.300 -0.256 0.000 1.082 427 M CB -0.525 32.032 32.600 -0.071 0.000 1.388 427 M HN 0.360 nan 8.290 nan 0.000 0.419 428 T N -1.217 113.267 114.554 -0.117 0.000 3.113 428 T HA 0.180 4.523 4.350 -0.012 0.000 0.256 428 T C 1.253 175.896 174.700 -0.095 0.000 1.131 428 T CA 1.184 63.236 62.100 -0.081 0.000 1.074 428 T CB -0.156 68.692 68.868 -0.034 0.000 0.944 428 T HN 0.709 nan 8.240 nan 0.000 0.516 429 G N 0.930 109.641 108.800 -0.147 0.000 2.195 429 G HA2 -0.238 3.715 3.960 -0.012 0.000 0.246 429 G HA3 -0.238 3.715 3.960 -0.012 0.000 0.246 429 G C -0.008 174.874 174.900 -0.031 0.000 0.984 429 G CA 0.318 45.349 45.100 -0.116 0.000 0.633 429 G HN 0.726 nan 8.290 nan 0.000 0.525 430 Q N 1.786 121.581 119.800 -0.007 0.000 2.327 430 Q HA 0.457 4.790 4.340 -0.012 0.000 0.254 430 Q C -1.936 174.099 176.000 0.058 0.000 0.952 430 Q CA -1.508 54.308 55.803 0.022 0.000 0.884 430 Q CB 1.385 30.134 28.738 0.018 0.000 1.224 430 Q HN 0.329 nan 8.270 nan 0.000 0.422 431 P HA 0.091 nan 4.420 nan 0.000 0.274 431 P C -1.268 176.066 177.300 0.056 0.000 1.246 431 P CA -0.273 62.866 63.100 0.066 0.000 0.795 431 P CB 1.202 32.928 31.700 0.045 0.000 1.006 432 V N 2.369 122.315 119.914 0.053 0.000 2.924 432 V HA 0.432 4.545 4.120 -0.012 0.000 0.300 432 V C -1.846 174.260 176.094 0.019 0.000 1.227 432 V CA -0.845 61.475 62.300 0.033 0.000 0.954 432 V CB 1.996 33.846 31.823 0.045 0.000 1.055 432 V HN 0.385 nan 8.190 nan 0.000 0.429 433 L N 8.210 129.433 121.223 0.001 0.000 2.345 433 L HA 0.709 5.042 4.340 -0.012 0.000 0.274 433 L C -0.473 176.384 176.870 -0.021 0.000 0.999 433 L CA -0.363 54.474 54.840 -0.005 0.000 0.849 433 L CB 1.718 43.772 42.059 -0.009 0.000 1.220 433 L HN 0.731 nan 8.230 nan 0.000 0.422 434 V N 2.680 122.591 119.914 -0.006 0.000 2.353 434 V HA 0.825 4.938 4.120 -0.012 0.000 0.264 434 V C 0.684 176.780 176.094 0.004 0.000 1.049 434 V CA -0.134 62.160 62.300 -0.010 0.000 0.896 434 V CB 0.313 32.139 31.823 0.005 0.000 1.025 434 V HN 0.822 nan 8.190 nan 0.000 0.475 435 G N 2.971 111.764 108.800 -0.012 0.000 2.353 435 G HA2 0.518 4.470 3.960 -0.012 0.000 0.284 435 G HA3 0.518 4.470 3.960 -0.012 0.000 0.284 435 G C -0.237 174.709 174.900 0.078 0.000 1.172 435 G CA 0.067 45.187 45.100 0.034 0.000 0.854 435 G HN 0.892 nan 8.290 nan 0.000 0.485 436 T N -0.017 114.601 114.554 0.106 0.000 2.768 436 T HA 0.486 4.828 4.350 -0.012 0.000 0.268 436 T C 0.880 175.682 174.700 0.170 0.000 0.969 436 T CA -0.221 61.957 62.100 0.130 0.000 1.008 436 T CB 1.592 70.532 68.868 0.120 0.000 1.371 436 T HN 0.170 nan 8.240 nan 0.000 0.587 437 V N -0.251 119.749 119.914 0.144 0.000 3.251 437 V HA 0.614 4.727 4.120 -0.012 0.000 0.239 437 V C 0.638 176.789 176.094 0.097 0.000 1.332 437 V CA 0.413 62.792 62.300 0.132 0.000 1.224 437 V CB 0.491 32.301 31.823 -0.023 0.000 1.004 437 V HN 0.928 nan 8.190 nan 0.000 0.464 438 A N -0.404 122.460 122.820 0.073 0.000 2.423 438 A HA 0.652 4.965 4.320 -0.012 0.000 0.304 438 A C 0.726 178.343 177.584 0.054 0.000 1.104 438 A CA -0.051 52.018 52.037 0.053 0.000 0.757 438 A CB 1.856 20.871 19.000 0.025 0.000 1.313 438 A HN -0.070 nan 8.150 nan 0.000 0.423 439 V N 1.023 120.961 119.914 0.040 0.000 2.287 439 V HA -0.236 3.877 4.120 -0.012 0.000 0.248 439 V C 2.268 178.374 176.094 0.021 0.000 1.053 439 V CA 2.731 65.050 62.300 0.032 0.000 1.027 439 V CB -1.193 30.643 31.823 0.021 0.000 0.646 439 V HN 0.991 nan 8.190 nan 0.000 0.447 440 E N 0.288 120.493 120.200 0.008 0.000 2.130 440 E HA -0.197 4.146 4.350 -0.012 0.000 0.196 440 E C 2.201 178.788 176.600 -0.021 0.000 0.998 440 E CA 1.948 58.340 56.400 -0.013 0.000 0.806 440 E CB -0.580 29.105 29.700 -0.025 0.000 0.738 440 E HN 0.560 nan 8.360 nan 0.000 0.459 441 T N -0.237 114.324 114.554 0.012 0.000 2.985 441 T HA -0.066 4.277 4.350 -0.012 0.000 0.266 441 T C 1.965 176.724 174.700 0.098 0.000 1.076 441 T CA 1.096 63.224 62.100 0.046 0.000 1.135 441 T CB -0.131 68.824 68.868 0.144 0.000 0.890 441 T HN 0.299 nan 8.240 nan 0.000 0.480 442 S N 2.481 118.229 115.700 0.080 0.000 2.377 442 S HA -0.108 4.355 4.470 -0.012 0.000 0.223 442 S C 1.999 176.638 174.600 0.065 0.000 1.030 442 S CA 0.887 59.137 58.200 0.084 0.000 0.970 442 S CB -0.431 62.811 63.200 0.071 0.000 0.830 442 S HN 0.793 nan 8.310 nan 0.000 0.473 443 E N 1.552 121.775 120.200 0.038 0.000 2.204 443 E HA -0.073 4.270 4.350 -0.012 0.000 0.194 443 E C 2.053 178.661 176.600 0.013 0.000 0.989 443 E CA 0.837 57.256 56.400 0.031 0.000 0.824 443 E CB -0.508 29.200 29.700 0.014 0.000 0.756 443 E HN 0.478 nan 8.360 nan 0.000 0.477 444 L N 1.315 122.527 121.223 -0.019 0.000 2.005 444 L HA -0.095 4.238 4.340 -0.012 0.000 0.207 444 L C 2.216 179.066 176.870 -0.034 0.000 1.072 444 L CA 1.540 56.337 54.840 -0.071 0.000 0.744 444 L CB -0.476 41.472 42.059 -0.186 0.000 0.895 444 L HN 0.205 nan 8.230 nan 0.000 0.433 445 I N -0.680 119.912 120.570 0.036 0.000 2.916 445 I HA -0.192 3.971 4.170 -0.012 0.000 0.267 445 I C 2.270 178.391 176.117 0.007 0.000 1.263 445 I CA 1.388 62.736 61.300 0.080 0.000 1.471 445 I CB -0.555 37.543 38.000 0.163 0.000 1.089 445 I HN 0.575 nan 8.210 nan 0.000 0.468 446 S N 1.077 116.793 115.700 0.027 0.000 2.329 446 S HA -0.149 4.313 4.470 -0.012 0.000 0.215 446 S C 1.952 176.516 174.600 -0.060 0.000 1.031 446 S CA 1.058 59.287 58.200 0.049 0.000 0.985 446 S CB -0.028 63.283 63.200 0.185 0.000 0.917 446 S HN 0.410 nan 8.310 nan 0.000 0.441 447 K N 0.806 121.203 120.400 -0.004 0.000 2.280 447 K HA 0.040 4.353 4.320 -0.012 0.000 0.202 447 K C 2.056 178.616 176.600 -0.067 0.000 1.047 447 K CA 0.737 57.008 56.287 -0.027 0.000 0.942 447 K CB -0.334 32.160 32.500 -0.011 0.000 0.739 447 K HN 0.389 nan 8.250 nan 0.000 0.457 448 L N 1.252 122.435 121.223 -0.067 0.000 2.191 448 L HA -0.162 4.170 4.340 -0.012 0.000 0.212 448 L C 1.550 178.369 176.870 -0.086 0.000 1.103 448 L CA 1.072 55.876 54.840 -0.060 0.000 0.769 448 L CB 0.024 42.065 42.059 -0.029 0.000 0.908 448 L HN 0.166 nan 8.230 nan 0.000 0.438 449 L N -4.911 116.220 121.223 -0.153 0.000 2.664 449 L HA 0.166 4.499 4.340 -0.012 0.000 0.233 449 L C 1.878 178.615 176.870 -0.221 0.000 1.113 449 L CA 0.505 55.233 54.840 -0.187 0.000 0.896 449 L CB -0.530 41.390 42.059 -0.231 0.000 1.163 449 L HN -0.133 nan 8.230 nan 0.000 0.497 450 K N 0.941 121.210 120.400 -0.218 0.000 2.025 450 K HA 0.006 4.319 4.320 -0.012 0.000 0.207 450 K C 1.105 177.663 176.600 -0.072 0.000 1.049 450 K CA 1.391 57.594 56.287 -0.140 0.000 0.933 450 K CB -0.233 32.235 32.500 -0.053 0.000 0.714 450 K HN 0.403 nan 8.250 nan 0.000 0.438 451 N N 1.031 119.695 118.700 -0.059 0.000 2.550 451 N HA -0.070 4.663 4.740 -0.012 0.000 0.186 451 N C 1.166 176.656 175.510 -0.033 0.000 1.110 451 N CA 0.686 53.715 53.050 -0.035 0.000 0.912 451 N CB 0.172 38.641 38.487 -0.029 0.000 0.968 451 N HN 0.123 nan 8.380 nan 0.000 0.448 452 K N -0.025 120.344 120.400 -0.051 0.000 2.356 452 K HA 0.111 4.424 4.320 -0.012 0.000 0.195 452 K C 0.617 177.204 176.600 -0.022 0.000 1.037 452 K CA 0.288 56.553 56.287 -0.036 0.000 1.014 452 K CB 0.368 32.837 32.500 -0.051 0.000 0.815 452 K HN 0.215 nan 8.250 nan 0.000 0.507 453 G N 2.188 110.967 108.800 -0.035 0.000 2.325 453 G HA2 -0.201 3.752 3.960 -0.012 0.000 0.248 453 G HA3 -0.201 3.752 3.960 -0.012 0.000 0.248 453 G C -0.229 174.663 174.900 -0.013 0.000 1.108 453 G CA -0.257 44.838 45.100 -0.008 0.000 0.881 453 G HN 0.210 nan 8.290 nan 0.000 0.494 454 I N 1.136 121.643 120.570 -0.105 0.000 2.499 454 I HA 0.370 4.533 4.170 -0.012 0.000 0.288 454 I C -2.063 173.908 176.117 -0.244 0.000 1.048 454 I CA -2.487 58.664 61.300 -0.248 0.000 1.062 454 I CB 2.824 40.625 38.000 -0.333 0.000 1.238 454 I HN -0.026 nan 8.210 nan 0.000 0.426 455 P HA 0.247 nan 4.420 nan 0.000 0.275 455 P C -1.258 176.045 177.300 0.005 0.000 1.227 455 P CA 0.470 63.543 63.100 -0.045 0.000 0.781 455 P CB 0.855 32.528 31.700 -0.044 0.000 0.906 456 H N 0.060 119.052 119.070 -0.130 0.000 2.883 456 H HA 0.484 5.033 4.556 -0.012 0.000 0.277 456 H C -1.626 173.666 175.328 -0.059 0.000 1.451 456 H CA -0.851 55.135 56.048 -0.103 0.000 1.157 456 H CB 0.990 30.690 29.762 -0.103 0.000 1.851 456 H HN 0.513 nan 8.280 nan 0.000 0.566 457 Q N 0.787 120.453 119.800 -0.224 0.000 2.430 457 Q HA 0.545 4.878 4.340 -0.012 0.000 0.253 457 Q C -1.551 174.373 176.000 -0.127 0.000 0.945 457 Q CA -0.924 54.722 55.803 -0.262 0.000 0.964 457 Q CB 2.308 30.960 28.738 -0.143 0.000 1.460 457 Q HN 0.372 nan 8.270 nan 0.000 0.428 458 V N 2.481 122.318 119.914 -0.129 0.000 3.083 458 V HA 0.351 4.464 4.120 -0.012 0.000 0.306 458 V C 0.066 176.137 176.094 -0.038 0.000 1.077 458 V CA -0.627 61.647 62.300 -0.044 0.000 1.073 458 V CB 1.066 32.871 31.823 -0.030 0.000 1.081 458 V HN 0.694 nan 8.190 nan 0.000 0.474 459 L N 3.621 124.836 121.223 -0.014 0.000 2.295 459 L HA 0.465 4.797 4.340 -0.012 0.000 0.281 459 L C -0.333 176.527 176.870 -0.017 0.000 1.018 459 L CA -0.274 54.556 54.840 -0.016 0.000 0.841 459 L CB 0.801 42.861 42.059 0.000 0.000 1.218 459 L HN 0.658 nan 8.230 nan 0.000 0.424 460 N N 2.263 120.941 118.700 -0.035 0.000 2.456 460 N HA 0.361 5.094 4.740 -0.012 0.000 0.296 460 N C 0.214 175.682 175.510 -0.070 0.000 1.102 460 N CA -0.502 52.523 53.050 -0.041 0.000 0.924 460 N CB 2.196 40.657 38.487 -0.044 0.000 1.186 460 N HN 0.517 nan 8.380 nan 0.000 0.492 461 A N 1.187 123.959 122.820 -0.080 0.000 2.648 461 A HA 0.019 4.332 4.320 -0.012 0.000 0.269 461 A C 1.730 179.196 177.584 -0.197 0.000 1.392 461 A CA -0.025 51.914 52.037 -0.163 0.000 1.019 461 A CB -0.367 18.558 19.000 -0.125 0.000 1.009 461 A HN 0.598 nan 8.150 nan 0.000 0.565 462 K N 0.553 120.868 120.400 -0.142 0.000 2.074 462 K HA -0.155 4.157 4.320 -0.012 0.000 0.209 462 K C 0.238 176.745 176.600 -0.156 0.000 1.048 462 K CA 1.920 58.139 56.287 -0.114 0.000 0.926 462 K CB -0.117 32.331 32.500 -0.086 0.000 0.713 462 K HN 0.626 nan 8.250 nan 0.000 0.444 463 N N -2.094 116.472 118.700 -0.224 0.000 2.864 463 N HA 0.057 4.790 4.740 -0.012 0.000 0.247 463 N C -0.475 174.841 175.510 -0.322 0.000 1.071 463 N CA -0.390 52.497 53.050 -0.272 0.000 1.056 463 N CB 0.483 38.889 38.487 -0.134 0.000 1.661 463 N HN 0.090 nan 8.380 nan 0.000 0.570 464 H N 1.221 120.189 119.070 -0.171 0.000 2.520 464 H HA -0.137 4.412 4.556 -0.012 0.000 0.295 464 H C 0.841 175.805 175.328 -0.607 0.000 1.096 464 H CA 1.300 57.185 56.048 -0.271 0.000 1.249 464 H CB 0.433 30.112 29.762 -0.138 0.000 1.365 464 H HN 0.678 nan 8.280 nan 0.000 0.556 465 E N 1.207 121.047 120.200 -0.600 0.000 2.072 465 E HA -0.108 4.235 4.350 -0.012 0.000 0.190 465 E C 2.202 178.636 176.600 -0.276 0.000 0.982 465 E CA 0.229 56.247 56.400 -0.636 0.000 0.803 465 E CB 0.200 29.693 29.700 -0.346 0.000 0.755 465 E HN 0.413 nan 8.360 nan 0.000 0.453 466 R N 0.513 120.895 120.500 -0.196 0.000 2.081 466 R HA -0.131 4.201 4.340 -0.012 0.000 0.235 466 R C 2.294 178.535 176.300 -0.099 0.000 1.131 466 R CA 1.679 57.708 56.100 -0.119 0.000 0.960 466 R CB -0.076 30.161 30.300 -0.106 0.000 0.856 466 R HN 0.225 nan 8.270 nan 0.000 0.436 467 E N 0.474 120.607 120.200 -0.111 0.000 2.028 467 E HA -0.165 4.177 4.350 -0.012 0.000 0.191 467 E C 2.163 178.741 176.600 -0.037 0.000 0.988 467 E CA 1.085 57.449 56.400 -0.060 0.000 0.799 467 E CB -0.226 29.453 29.700 -0.036 0.000 0.755 467 E HN 0.346 nan 8.360 nan 0.000 0.447 468 A N 1.667 124.454 122.820 -0.056 0.000 1.884 468 A HA -0.340 3.973 4.320 -0.012 0.000 0.219 468 A C 2.151 179.742 177.584 0.011 0.000 1.197 468 A CA 1.983 54.023 52.037 0.005 0.000 0.637 468 A CB -0.774 18.238 19.000 0.020 0.000 0.827 468 A HN 0.223 nan 8.150 nan 0.000 0.450 469 Q N -0.907 118.882 119.800 -0.018 0.000 2.077 469 Q HA -0.195 4.138 4.340 -0.012 0.000 0.206 469 Q C 2.108 178.109 176.000 0.001 0.000 0.989 469 Q CA 1.625 57.427 55.803 -0.001 0.000 0.853 469 Q CB -0.360 28.368 28.738 -0.016 0.000 0.907 469 Q HN 0.679 nan 8.270 nan 0.000 0.418 470 I N 0.777 121.341 120.570 -0.010 0.000 2.142 470 I HA -0.263 3.899 4.170 -0.012 0.000 0.240 470 I C 2.313 178.433 176.117 0.006 0.000 1.078 470 I CA 1.178 62.474 61.300 -0.007 0.000 1.343 470 I CB -1.266 36.724 38.000 -0.017 0.000 1.046 470 I HN 0.248 nan 8.210 nan 0.000 0.405 471 I N 1.130 121.707 120.570 0.012 0.000 2.194 471 I HA -0.271 3.891 4.170 -0.012 0.000 0.246 471 I C 2.536 178.669 176.117 0.026 0.000 1.093 471 I CA 1.354 62.667 61.300 0.022 0.000 1.355 471 I CB -1.358 36.661 38.000 0.032 0.000 1.046 471 I HN 0.366 nan 8.210 nan 0.000 0.413 472 E N 1.010 121.227 120.200 0.029 0.000 2.068 472 E HA -0.258 4.085 4.350 -0.012 0.000 0.207 472 E C 1.164 177.779 176.600 0.025 0.000 1.032 472 E CA 1.526 57.944 56.400 0.030 0.000 0.839 472 E CB -0.347 29.372 29.700 0.032 0.000 0.758 472 E HN 0.445 nan 8.360 nan 0.000 0.457 473 E N -0.307 119.906 120.200 0.022 0.000 2.303 473 E HA 0.148 4.490 4.350 -0.012 0.000 0.211 473 E C 0.246 176.860 176.600 0.024 0.000 1.223 473 E CA -0.008 56.405 56.400 0.022 0.000 1.344 473 E CB 0.295 30.007 29.700 0.020 0.000 1.299 473 E HN 0.270 nan 8.360 nan 0.000 0.441 474 A N -0.368 122.466 122.820 0.023 0.000 2.345 474 A HA 0.321 4.634 4.320 -0.012 0.000 0.225 474 A C 1.618 179.218 177.584 0.027 0.000 1.243 474 A CA 0.460 52.511 52.037 0.024 0.000 0.875 474 A CB 0.317 19.330 19.000 0.021 0.000 0.929 474 A HN 0.302 nan 8.150 nan 0.000 0.502 475 G N -1.199 107.617 108.800 0.027 0.000 3.228 475 G HA2 0.279 4.232 3.960 -0.012 0.000 0.245 475 G HA3 0.279 4.232 3.960 -0.012 0.000 0.245 475 G C 0.305 175.223 174.900 0.029 0.000 1.051 475 G CA -0.169 44.946 45.100 0.026 0.000 0.809 475 G HN 0.293 nan 8.290 nan 0.000 0.531 476 Q N 0.542 120.362 119.800 0.033 0.000 2.396 476 Q HA 0.308 4.641 4.340 -0.012 0.000 0.221 476 Q C 1.035 177.063 176.000 0.046 0.000 1.025 476 Q CA -0.294 55.530 55.803 0.035 0.000 0.946 476 Q CB 1.050 29.809 28.738 0.035 0.000 1.224 476 Q HN 0.113 nan 8.270 nan 0.000 0.539 477 K N 0.502 120.926 120.400 0.040 0.000 2.089 477 K HA -0.166 4.147 4.320 -0.012 0.000 0.210 477 K C 1.506 178.156 176.600 0.084 0.000 1.048 477 K CA 1.657 57.968 56.287 0.041 0.000 0.926 477 K CB -0.329 32.180 32.500 0.016 0.000 0.714 477 K HN 0.781 nan 8.250 nan 0.000 0.448 478 G N 0.548 109.418 108.800 0.117 0.000 3.088 478 G HA2 0.175 4.128 3.960 -0.012 0.000 0.212 478 G HA3 0.175 4.128 3.960 -0.012 0.000 0.212 478 G C 0.144 175.173 174.900 0.216 0.000 1.173 478 G CA 0.071 45.314 45.100 0.238 0.000 0.779 478 G HN 0.294 nan 8.290 nan 0.000 0.540 479 A N 0.156 123.059 122.820 0.138 0.000 2.566 479 A HA 0.463 4.776 4.320 -0.012 0.000 0.245 479 A C -0.249 177.387 177.584 0.087 0.000 1.056 479 A CA 0.410 52.502 52.037 0.091 0.000 0.757 479 A CB 0.358 19.397 19.000 0.065 0.000 0.979 479 A HN 0.600 nan 8.150 nan 0.000 0.508 480 V N 4.261 124.199 119.914 0.039 0.000 2.841 480 V HA 0.239 4.352 4.120 -0.012 0.000 0.258 480 V C -0.353 175.757 176.094 0.025 0.000 0.973 480 V CA -0.362 61.944 62.300 0.011 0.000 0.921 480 V CB 1.470 33.246 31.823 -0.078 0.000 1.053 480 V HN 1.023 nan 8.190 nan 0.000 0.498 481 T N 3.964 118.534 114.554 0.026 0.000 2.855 481 T HA 0.800 5.143 4.350 -0.012 0.000 0.281 481 T C -0.556 174.163 174.700 0.032 0.000 1.007 481 T CA -0.545 61.570 62.100 0.025 0.000 1.009 481 T CB 2.445 71.323 68.868 0.017 0.000 0.983 481 T HN 0.166 nan 8.240 nan 0.000 0.455 482 I N 2.490 123.082 120.570 0.037 0.000 2.359 482 I HA 0.526 4.689 4.170 -0.012 0.000 0.284 482 I C 0.153 176.292 176.117 0.036 0.000 1.018 482 I CA -0.629 60.699 61.300 0.047 0.000 1.173 482 I CB 0.928 38.972 38.000 0.073 0.000 1.326 482 I HN 0.878 nan 8.210 nan 0.000 0.462 483 A N 4.581 127.424 122.820 0.039 0.000 2.258 483 A HA 0.556 4.869 4.320 -0.012 0.000 0.316 483 A C 1.073 178.692 177.584 0.058 0.000 1.279 483 A CA -0.357 51.705 52.037 0.041 0.000 0.876 483 A CB 0.286 19.309 19.000 0.038 0.000 1.170 483 A HN 0.721 nan 8.150 nan 0.000 0.520 484 T N 1.577 116.165 114.554 0.058 0.000 2.569 484 T HA -0.081 4.262 4.350 -0.012 0.000 0.263 484 T C 0.857 175.616 174.700 0.098 0.000 1.074 484 T CA 1.634 63.778 62.100 0.074 0.000 1.176 484 T CB -0.151 68.755 68.868 0.062 0.000 0.863 484 T HN 0.680 nan 8.240 nan 0.000 0.410 485 N N 0.824 119.576 118.700 0.086 0.000 2.646 485 N HA 0.262 4.995 4.740 -0.012 0.000 0.303 485 N C -0.825 174.718 175.510 0.054 0.000 1.921 485 N CA -0.037 53.064 53.050 0.085 0.000 0.872 485 N CB 0.718 39.262 38.487 0.094 0.000 1.327 485 N HN 0.304 nan 8.380 nan 0.000 0.492 486 M N -0.292 119.340 119.600 0.054 0.000 3.105 486 M HA -0.184 4.289 4.480 -0.012 0.000 0.177 486 M C 0.865 177.199 176.300 0.057 0.000 1.237 486 M CA 0.180 55.509 55.300 0.047 0.000 0.784 486 M CB -1.983 30.638 32.600 0.035 0.000 1.264 486 M HN 0.281 nan 8.290 nan 0.000 0.715 487 A N 0.045 122.898 122.820 0.055 0.000 2.131 487 A HA 0.266 4.579 4.320 -0.012 0.000 0.220 487 A C 1.281 178.914 177.584 0.081 0.000 1.158 487 A CA 1.793 53.868 52.037 0.063 0.000 0.665 487 A CB -0.047 18.975 19.000 0.036 0.000 0.795 487 A HN 1.044 nan 8.150 nan 0.000 0.460 488 G N -1.288 107.553 108.800 0.069 0.000 2.782 488 G HA2 0.479 4.432 3.960 -0.012 0.000 0.289 488 G HA3 0.479 4.432 3.960 -0.012 0.000 0.289 488 G C 0.447 175.389 174.900 0.070 0.000 1.463 488 G CA -0.526 44.622 45.100 0.080 0.000 1.019 488 G HN 0.043 nan 8.290 nan 0.000 0.536 489 R N 2.148 122.693 120.500 0.075 0.000 2.046 489 R HA 0.057 4.390 4.340 -0.012 0.000 0.223 489 R C 2.682 179.010 176.300 0.047 0.000 1.179 489 R CA 1.331 57.461 56.100 0.051 0.000 0.952 489 R CB -0.958 29.365 30.300 0.038 0.000 0.843 489 R HN 0.568 nan 8.270 nan 0.000 0.439 490 G N 1.263 110.096 108.800 0.057 0.000 2.480 490 G HA2 -0.191 3.761 3.960 -0.012 0.000 0.216 490 G HA3 -0.191 3.761 3.960 -0.012 0.000 0.216 490 G C 0.162 175.097 174.900 0.058 0.000 1.200 490 G CA 0.932 46.061 45.100 0.049 0.000 0.782 490 G HN 0.317 nan 8.290 nan 0.000 0.554 491 T N 2.943 117.552 114.554 0.091 0.000 2.708 491 T HA 0.219 4.562 4.350 -0.012 0.000 0.271 491 T C -0.034 174.699 174.700 0.056 0.000 0.985 491 T CA 0.334 62.485 62.100 0.085 0.000 1.229 491 T CB 0.061 68.995 68.868 0.111 0.000 0.934 491 T HN 0.490 nan 8.240 nan 0.000 0.522 492 D N 2.950 123.375 120.400 0.041 0.000 2.304 492 D HA 0.170 4.803 4.640 -0.012 0.000 0.247 492 D C 0.098 176.415 176.300 0.029 0.000 1.089 492 D CA -0.750 53.268 54.000 0.030 0.000 0.910 492 D CB 1.288 42.101 40.800 0.022 0.000 1.199 492 D HN 0.409 nan 8.370 nan 0.000 0.426 493 I N 1.361 121.945 120.570 0.023 0.000 2.308 493 I HA 0.030 4.193 4.170 -0.012 0.000 0.293 493 I C 0.784 176.911 176.117 0.018 0.000 1.078 493 I CA -0.387 60.926 61.300 0.021 0.000 1.292 493 I CB 0.344 38.355 38.000 0.018 0.000 1.423 493 I HN -0.011 nan 8.210 nan 0.000 0.493 494 K N 7.354 127.766 120.400 0.020 0.000 2.276 494 K HA 0.370 4.683 4.320 -0.012 0.000 0.285 494 K C -0.161 176.449 176.600 0.016 0.000 1.062 494 K CA -0.639 55.659 56.287 0.018 0.000 0.918 494 K CB 1.327 33.839 32.500 0.020 0.000 1.055 494 K HN 0.544 nan 8.250 nan 0.000 0.477 495 L N 2.148 123.379 121.223 0.013 0.000 2.593 495 L HA -0.078 4.255 4.340 -0.012 0.000 0.287 495 L C 1.288 178.167 176.870 0.014 0.000 1.243 495 L CA 0.166 55.014 54.840 0.012 0.000 0.890 495 L CB 0.060 42.124 42.059 0.009 0.000 1.134 495 L HN 0.741 nan 8.230 nan 0.000 0.502 496 G N 2.439 111.248 108.800 0.016 0.000 2.634 496 G HA2 0.180 4.133 3.960 -0.012 0.000 0.255 496 G HA3 0.180 4.133 3.960 -0.012 0.000 0.255 496 G C -0.409 174.499 174.900 0.013 0.000 1.205 496 G CA -0.603 44.507 45.100 0.017 0.000 0.884 496 G HN 0.696 nan 8.290 nan 0.000 0.549 497 E N 0.009 120.217 120.200 0.013 0.000 2.081 497 E HA 0.411 4.754 4.350 -0.012 0.000 0.270 497 E C 1.068 177.673 176.600 0.008 0.000 1.180 497 E CA 1.161 57.567 56.400 0.010 0.000 0.926 497 E CB 0.406 30.112 29.700 0.010 0.000 1.035 497 E HN 0.913 nan 8.360 nan 0.000 0.418 498 G N 1.442 110.246 108.800 0.006 0.000 2.307 498 G HA2 -0.328 3.625 3.960 -0.012 0.000 0.210 498 G HA3 -0.328 3.625 3.960 -0.012 0.000 0.210 498 G C 1.201 176.103 174.900 0.003 0.000 1.005 498 G CA -0.041 45.061 45.100 0.003 0.000 0.634 498 G HN 0.400 nan 8.290 nan 0.000 0.496 499 V N 2.604 122.521 119.914 0.006 0.000 2.453 499 V HA -0.262 3.851 4.120 -0.012 0.000 0.252 499 V C 2.949 179.046 176.094 0.004 0.000 1.068 499 V CA 3.151 65.455 62.300 0.007 0.000 1.070 499 V CB -0.586 31.244 31.823 0.011 0.000 0.664 499 V HN 0.780 nan 8.190 nan 0.000 0.461 500 K N 0.704 121.106 120.400 0.004 0.000 2.127 500 K HA -0.213 4.100 4.320 -0.012 0.000 0.208 500 K C 1.760 178.361 176.600 0.000 0.000 1.047 500 K CA 1.738 58.026 56.287 0.002 0.000 0.927 500 K CB -0.475 32.027 32.500 0.002 0.000 0.716 500 K HN 0.427 nan 8.250 nan 0.000 0.450 501 E N 0.807 121.007 120.200 0.000 0.000 2.086 501 E HA 0.042 4.385 4.350 -0.012 0.000 0.190 501 E C 2.152 178.751 176.600 -0.002 0.000 0.975 501 E CA 0.665 57.065 56.400 -0.001 0.000 0.813 501 E CB -0.409 29.290 29.700 -0.002 0.000 0.768 501 E HN 0.257 nan 8.360 nan 0.000 0.457 502 L N 0.001 121.223 121.223 -0.003 0.000 2.351 502 L HA -0.152 4.180 4.340 -0.012 0.000 0.220 502 L C 1.688 178.557 176.870 -0.001 0.000 1.127 502 L CA 1.342 56.180 54.840 -0.004 0.000 0.786 502 L CB -0.381 41.675 42.059 -0.005 0.000 0.914 502 L HN 0.336 nan 8.230 nan 0.000 0.443 503 G N -2.159 106.641 108.800 -0.000 0.000 1.828 503 G HA2 0.237 4.190 3.960 -0.012 0.000 0.128 503 G HA3 0.237 4.190 3.960 -0.012 0.000 0.128 503 G C 0.114 175.015 174.900 0.001 0.000 2.299 503 G CA -0.194 44.907 45.100 0.000 0.000 1.389 503 G HN 0.587 nan 8.290 nan 0.000 0.437 504 G N -0.888 107.913 108.800 0.002 0.000 2.364 504 G HA2 0.595 4.548 3.960 -0.012 0.000 0.286 504 G HA3 0.595 4.548 3.960 -0.012 0.000 0.286 504 G C -1.874 173.029 174.900 0.005 0.000 1.241 504 G CA 0.196 45.297 45.100 0.002 0.000 0.887 504 G HN 1.530 nan 8.290 nan 0.000 0.484 505 L N 1.498 122.723 121.223 0.002 0.000 2.281 505 L HA 0.782 5.115 4.340 -0.012 0.000 0.285 505 L C 0.628 177.495 176.870 -0.006 0.000 1.074 505 L CA -0.468 54.374 54.840 0.003 0.000 0.817 505 L CB 0.613 42.673 42.059 0.002 0.000 1.168 505 L HN 1.061 nan 8.230 nan 0.000 0.434 506 A N 5.807 128.626 122.820 -0.002 0.000 2.391 506 A HA 0.498 4.811 4.320 -0.012 0.000 0.316 506 A C -0.464 177.102 177.584 -0.031 0.000 1.381 506 A CA -0.390 51.639 52.037 -0.014 0.000 0.998 506 A CB 0.303 19.305 19.000 0.003 0.000 1.147 506 A HN 0.791 nan 8.150 nan 0.000 0.545 507 V N 4.647 124.523 119.914 -0.064 0.000 2.406 507 V HA 0.574 4.687 4.120 -0.012 0.000 0.272 507 V C -0.423 175.565 176.094 -0.175 0.000 1.043 507 V CA -0.230 62.008 62.300 -0.103 0.000 0.915 507 V CB 1.283 33.038 31.823 -0.113 0.000 0.988 507 V HN 0.919 nan 8.190 nan 0.000 0.466 508 V N 7.415 127.236 119.914 -0.156 0.000 2.376 508 V HA 0.814 4.926 4.120 -0.012 0.000 0.287 508 V C 0.487 176.459 176.094 -0.203 0.000 1.015 508 V CA 0.264 62.462 62.300 -0.169 0.000 0.834 508 V CB 1.243 33.067 31.823 0.001 0.000 1.001 508 V HN 1.119 nan 8.190 nan 0.000 0.428 509 G N 4.306 112.848 108.800 -0.430 0.000 2.349 509 G HA2 0.364 4.317 3.960 -0.012 0.000 0.281 509 G HA3 0.364 4.317 3.960 -0.012 0.000 0.281 509 G C 0.724 175.638 174.900 0.024 0.000 1.182 509 G CA 0.469 45.406 45.100 -0.272 0.000 0.899 509 G HN 0.816 nan 8.290 nan 0.000 0.455 510 T N 2.591 117.162 114.554 0.029 0.000 2.569 510 T HA -0.083 4.260 4.350 -0.012 0.000 0.263 510 T C 1.104 175.784 174.700 -0.033 0.000 1.074 510 T CA 1.688 63.752 62.100 -0.061 0.000 1.176 510 T CB -0.099 68.762 68.868 -0.013 0.000 0.863 510 T HN 0.709 nan 8.240 nan 0.000 0.410 511 E N -0.609 119.642 120.200 0.084 0.000 2.586 511 E HA 0.624 4.967 4.350 -0.012 0.000 0.232 511 E C -0.297 176.419 176.600 0.193 0.000 0.854 511 E CA -1.006 55.453 56.400 0.098 0.000 0.938 511 E CB 1.027 30.770 29.700 0.071 0.000 1.518 511 E HN -0.131 nan 8.360 nan 0.000 0.400 512 R N 0.313 120.879 120.500 0.111 0.000 2.628 512 R HA 0.394 4.727 4.340 -0.012 0.000 0.288 512 R C -1.064 175.273 176.300 0.062 0.000 0.980 512 R CA -0.601 55.543 56.100 0.072 0.000 0.891 512 R CB 1.352 31.659 30.300 0.012 0.000 1.188 512 R HN 0.535 nan 8.270 nan 0.000 0.450 513 H N 0.564 119.648 119.070 0.023 0.000 2.408 513 H HA 0.061 4.610 4.556 -0.012 0.000 0.345 513 H C 0.681 176.046 175.328 0.062 0.000 1.547 513 H CA 0.412 56.485 56.048 0.041 0.000 1.447 513 H CB 1.076 30.865 29.762 0.045 0.000 1.686 513 H HN 0.492 nan 8.280 nan 0.000 0.625 514 E N -0.562 119.759 120.200 0.202 0.000 2.086 514 E HA 0.025 4.367 4.350 -0.012 0.000 0.190 514 E C -0.061 176.666 176.600 0.210 0.000 0.975 514 E CA 0.782 57.295 56.400 0.189 0.000 0.813 514 E CB 0.187 29.966 29.700 0.131 0.000 0.768 514 E HN 0.437 nan 8.360 nan 0.000 0.457 515 S N 0.369 116.182 115.700 0.189 0.000 2.451 515 S HA 0.439 4.902 4.470 -0.012 0.000 0.301 515 S C 0.395 175.031 174.600 0.062 0.000 1.116 515 S CA -0.909 57.352 58.200 0.102 0.000 1.093 515 S CB 2.039 65.283 63.200 0.073 0.000 1.017 515 S HN -0.062 nan 8.310 nan 0.000 0.482 516 R N 1.672 122.184 120.500 0.020 0.000 2.127 516 R HA -0.147 4.185 4.340 -0.012 0.000 0.238 516 R C 2.375 178.663 176.300 -0.020 0.000 1.134 516 R CA 1.851 57.938 56.100 -0.021 0.000 0.975 516 R CB -0.478 29.799 30.300 -0.039 0.000 0.865 516 R HN 0.802 nan 8.270 nan 0.000 0.447 517 R N 0.646 121.141 120.500 -0.008 0.000 2.075 517 R HA -0.070 4.262 4.340 -0.012 0.000 0.230 517 R C 1.837 178.124 176.300 -0.021 0.000 1.140 517 R CA 1.492 57.589 56.100 -0.006 0.000 0.928 517 R CB -0.890 29.412 30.300 0.004 0.000 0.834 517 R HN 0.043 nan 8.270 nan 0.000 0.429 518 I N 2.949 123.479 120.570 -0.067 0.000 2.450 518 I HA -0.260 3.903 4.170 -0.012 0.000 0.260 518 I C 1.369 177.436 176.117 -0.083 0.000 1.145 518 I CA 2.055 63.261 61.300 -0.157 0.000 1.413 518 I CB -1.378 36.340 38.000 -0.470 0.000 1.090 518 I HN 0.482 nan 8.210 nan 0.000 0.445 519 D N -1.882 118.519 120.400 0.002 0.000 2.407 519 D HA -0.053 4.580 4.640 -0.012 0.000 0.208 519 D C 1.518 177.933 176.300 0.193 0.000 1.083 519 D CA 0.052 54.142 54.000 0.149 0.000 0.844 519 D CB -0.357 40.507 40.800 0.106 0.000 0.967 519 D HN 0.001 nan 8.370 nan 0.000 0.506 520 N N 0.502 119.247 118.700 0.076 0.000 2.354 520 N HA -0.036 4.696 4.740 -0.012 0.000 0.179 520 N C 1.486 177.044 175.510 0.081 0.000 1.021 520 N CA 0.652 53.748 53.050 0.078 0.000 0.887 520 N CB 0.089 38.593 38.487 0.028 0.000 0.974 520 N HN 0.408 nan 8.380 nan 0.000 0.437 521 Q N -0.051 119.785 119.800 0.061 0.000 2.083 521 Q HA -0.067 4.266 4.340 -0.012 0.000 0.198 521 Q C 1.880 177.917 176.000 0.060 0.000 0.969 521 Q CA 0.729 56.558 55.803 0.045 0.000 0.838 521 Q CB -0.120 28.632 28.738 0.023 0.000 0.900 521 Q HN 0.206 nan 8.270 nan 0.000 0.436 522 L N 1.329 122.607 121.223 0.092 0.000 1.976 522 L HA -0.184 4.149 4.340 -0.012 0.000 0.209 522 L C 2.413 179.323 176.870 0.066 0.000 1.071 522 L CA 1.863 56.754 54.840 0.085 0.000 0.746 522 L CB -0.522 41.617 42.059 0.134 0.000 0.890 522 L HN 0.048 nan 8.230 nan 0.000 0.432 523 R N -0.606 119.985 120.500 0.153 0.000 2.170 523 R HA -0.151 4.182 4.340 -0.012 0.000 0.242 523 R C 1.810 178.146 176.300 0.060 0.000 1.145 523 R CA 1.294 57.463 56.100 0.115 0.000 0.984 523 R CB -0.631 29.866 30.300 0.328 0.000 0.869 523 R HN 0.612 nan 8.270 nan 0.000 0.455 524 G N -0.366 108.470 108.800 0.059 0.000 2.985 524 G HA2 -0.085 3.868 3.960 -0.012 0.000 0.209 524 G HA3 -0.085 3.868 3.960 -0.012 0.000 0.209 524 G C 0.988 175.897 174.900 0.016 0.000 1.165 524 G CA -0.386 44.734 45.100 0.032 0.000 0.776 524 G HN 0.140 nan 8.290 nan 0.000 0.541 525 R N 0.514 121.022 120.500 0.013 0.000 2.377 525 R HA 0.118 4.450 4.340 -0.012 0.000 0.207 525 R C 0.228 176.528 176.300 0.001 0.000 1.075 525 R CA 0.230 56.334 56.100 0.007 0.000 1.035 525 R CB -0.317 29.986 30.300 0.006 0.000 0.857 525 R HN 0.243 nan 8.270 nan 0.000 0.475 526 S N -2.322 113.376 115.700 -0.003 0.000 2.671 526 S HA 0.547 5.010 4.470 -0.012 0.000 0.299 526 S C 0.269 174.865 174.600 -0.006 0.000 1.116 526 S CA 0.003 58.199 58.200 -0.006 0.000 0.912 526 S CB 2.026 65.218 63.200 -0.013 0.000 1.130 526 S HN 0.358 nan 8.310 nan 0.000 0.501 527 G N 1.572 110.367 108.800 -0.009 0.000 2.147 527 G HA2 -0.212 3.741 3.960 -0.012 0.000 0.244 527 G HA3 -0.212 3.741 3.960 -0.012 0.000 0.244 527 G C -0.178 174.710 174.900 -0.020 0.000 1.005 527 G CA -0.136 44.956 45.100 -0.014 0.000 0.713 527 G HN 0.595 nan 8.290 nan 0.000 0.515 528 R N 0.213 120.702 120.500 -0.018 0.000 2.421 528 R HA 0.271 4.604 4.340 -0.012 0.000 0.305 528 R C 0.668 176.946 176.300 -0.037 0.000 1.039 528 R CA 0.011 56.097 56.100 -0.024 0.000 1.003 528 R CB 0.296 30.590 30.300 -0.011 0.000 0.959 528 R HN 0.373 nan 8.270 nan 0.000 0.427 529 Q N 1.309 121.071 119.800 -0.064 0.000 2.463 529 Q HA -0.209 4.124 4.340 -0.012 0.000 0.299 529 Q C 0.756 176.712 176.000 -0.074 0.000 1.353 529 Q CA 1.288 57.033 55.803 -0.096 0.000 0.828 529 Q CB -1.929 26.757 28.738 -0.087 0.000 1.157 529 Q HN 1.222 nan 8.270 nan 0.000 0.436 530 G N -0.687 108.076 108.800 -0.061 0.000 2.189 530 G HA2 -0.312 3.641 3.960 -0.012 0.000 0.267 530 G HA3 -0.312 3.641 3.960 -0.012 0.000 0.267 530 G C 0.036 174.918 174.900 -0.030 0.000 0.975 530 G CA 0.269 45.343 45.100 -0.045 0.000 0.644 530 G HN 0.456 nan 8.290 nan 0.000 0.537 531 D N 1.793 122.177 120.400 -0.026 0.000 2.478 531 D HA 0.321 4.954 4.640 -0.012 0.000 0.234 531 D C -1.494 174.799 176.300 -0.013 0.000 1.154 531 D CA -0.288 53.703 54.000 -0.016 0.000 0.874 531 D CB 0.932 41.725 40.800 -0.012 0.000 1.198 531 D HN 0.276 nan 8.370 nan 0.000 0.455 532 P HA 0.394 nan 4.420 nan 0.000 0.290 532 P C -0.431 176.865 177.300 -0.007 0.000 1.276 532 P CA -0.540 62.556 63.100 -0.008 0.000 0.808 532 P CB 1.588 33.285 31.700 -0.006 0.000 0.966 533 G N 1.771 110.566 108.800 -0.008 0.000 2.623 533 G HA2 0.564 4.516 3.960 -0.012 0.000 0.290 533 G HA3 0.564 4.516 3.960 -0.012 0.000 0.290 533 G C -2.079 172.814 174.900 -0.013 0.000 1.437 533 G CA -0.577 44.517 45.100 -0.009 0.000 0.798 533 G HN 0.572 nan 8.290 nan 0.000 0.488 534 I N 1.352 121.911 120.570 -0.019 0.000 2.478 534 I HA 0.614 4.777 4.170 -0.012 0.000 0.287 534 I C -0.131 175.955 176.117 -0.051 0.000 1.042 534 I CA -0.624 60.660 61.300 -0.027 0.000 1.067 534 I CB 2.092 40.080 38.000 -0.020 0.000 1.233 534 I HN 0.700 nan 8.210 nan 0.000 0.431 535 T N 3.170 117.686 114.554 -0.063 0.000 2.823 535 T HA 0.679 5.021 4.350 -0.012 0.000 0.279 535 T C -0.760 173.855 174.700 -0.142 0.000 0.998 535 T CA -0.573 61.454 62.100 -0.121 0.000 0.994 535 T CB 1.823 70.641 68.868 -0.085 0.000 0.960 535 T HN 0.553 nan 8.240 nan 0.000 0.448 536 Q N 2.205 121.849 119.800 -0.260 0.000 2.268 536 Q HA 0.541 4.874 4.340 -0.012 0.000 0.266 536 Q C -2.320 173.445 176.000 -0.391 0.000 1.006 536 Q CA -0.580 55.059 55.803 -0.273 0.000 0.824 536 Q CB 1.308 29.860 28.738 -0.311 0.000 1.306 536 Q HN 0.750 nan 8.270 nan 0.000 0.424 537 F N 3.532 123.360 119.950 -0.203 0.000 2.404 537 F HA 0.466 4.986 4.527 -0.012 0.000 0.354 537 F C -0.567 175.104 175.800 -0.214 0.000 1.122 537 F CA -0.451 57.469 58.000 -0.135 0.000 1.080 537 F CB 0.959 39.926 39.000 -0.054 0.000 1.131 537 F HN 0.496 nan 8.300 nan 0.000 0.471 538 Y N 3.835 124.166 120.300 0.051 0.000 2.308 538 Y HA 0.552 5.095 4.550 -0.012 0.000 0.329 538 Y C -0.507 175.364 175.900 -0.048 0.000 1.111 538 Y CA -0.649 57.407 58.100 -0.074 0.000 1.179 538 Y CB 1.394 39.680 38.460 -0.290 0.000 1.201 538 Y HN 0.369 nan 8.280 nan 0.000 0.483 539 L N 3.450 124.759 121.223 0.144 0.000 2.410 539 L HA 0.575 4.907 4.340 -0.012 0.000 0.270 539 L C -0.418 176.530 176.870 0.130 0.000 0.983 539 L CA -0.546 54.359 54.840 0.109 0.000 0.822 539 L CB 1.748 43.875 42.059 0.112 0.000 1.285 539 L HN 0.648 nan 8.230 nan 0.000 0.409 540 S N 4.205 119.960 115.700 0.091 0.000 2.672 540 S HA 0.448 4.911 4.470 -0.012 0.000 0.276 540 S C 0.647 175.323 174.600 0.126 0.000 1.207 540 S CA -0.781 57.498 58.200 0.131 0.000 1.002 540 S CB 1.224 64.492 63.200 0.113 0.000 0.998 540 S HN 0.641 nan 8.310 nan 0.000 0.542 541 M N 0.665 120.343 119.600 0.130 0.000 2.495 541 M HA 0.202 4.674 4.480 -0.012 0.000 0.237 541 M C 0.770 177.116 176.300 0.077 0.000 1.131 541 M CA 0.654 56.012 55.300 0.097 0.000 1.032 541 M CB -1.089 31.565 32.600 0.089 0.000 1.513 541 M HN 0.822 nan 8.290 nan 0.000 0.488 542 E N -0.702 119.548 120.200 0.082 0.000 2.526 542 E HA 0.051 4.394 4.350 -0.012 0.000 0.208 542 E C 0.011 176.643 176.600 0.054 0.000 0.997 542 E CA -0.232 56.206 56.400 0.063 0.000 0.961 542 E CB 0.724 30.465 29.700 0.069 0.000 1.030 542 E HN 0.284 nan 8.360 nan 0.000 0.483 543 D N 2.317 122.755 120.400 0.063 0.000 2.531 543 D HA -0.108 4.525 4.640 -0.012 0.000 0.239 543 D C 0.920 177.216 176.300 -0.007 0.000 1.144 543 D CA 0.570 54.598 54.000 0.045 0.000 0.869 543 D CB 0.854 41.685 40.800 0.052 0.000 1.160 543 D HN 0.188 nan 8.370 nan 0.000 0.484 544 E N 2.714 122.896 120.200 -0.030 0.000 2.284 544 E HA -0.254 4.089 4.350 -0.012 0.000 0.200 544 E C 1.935 178.434 176.600 -0.167 0.000 1.008 544 E CA 1.009 57.361 56.400 -0.080 0.000 0.829 544 E CB 0.064 29.715 29.700 -0.080 0.000 0.744 544 E HN 0.542 nan 8.360 nan 0.000 0.491 545 L N -1.686 119.422 121.223 -0.192 0.000 2.179 545 L HA -0.029 4.304 4.340 -0.012 0.000 0.208 545 L C 2.102 178.742 176.870 -0.383 0.000 1.096 545 L CA 1.124 55.714 54.840 -0.417 0.000 0.779 545 L CB -0.493 41.392 42.059 -0.290 0.000 0.922 545 L HN 0.017 nan 8.230 nan 0.000 0.443 546 M N 0.273 119.824 119.600 -0.082 0.000 2.132 546 M HA -0.077 4.396 4.480 -0.012 0.000 0.263 546 M C 2.483 178.785 176.300 0.003 0.000 1.065 546 M CA 1.591 56.919 55.300 0.047 0.000 1.122 546 M CB -1.105 31.535 32.600 0.066 0.000 1.365 546 M HN 0.362 nan 8.290 nan 0.000 0.411 547 R N -0.638 119.832 120.500 -0.050 0.000 2.148 547 R HA -0.088 4.245 4.340 -0.012 0.000 0.227 547 R C 2.199 178.451 176.300 -0.080 0.000 1.103 547 R CA 0.824 56.898 56.100 -0.042 0.000 0.983 547 R CB -0.148 30.127 30.300 -0.042 0.000 0.874 547 R HN 0.152 nan 8.270 nan 0.000 0.451 548 R N -0.603 119.772 120.500 -0.207 0.000 2.193 548 R HA 0.009 4.342 4.340 -0.012 0.000 0.213 548 R C 1.000 177.201 176.300 -0.165 0.000 1.055 548 R CA 0.997 56.934 56.100 -0.272 0.000 0.995 548 R CB 0.034 30.047 30.300 -0.478 0.000 0.893 548 R HN 0.110 nan 8.270 nan 0.000 0.459 549 F N -1.126 118.822 119.950 -0.003 0.000 2.776 549 F HA 0.348 4.867 4.527 -0.013 0.000 0.300 549 F C 1.378 177.176 175.800 -0.003 0.000 1.116 549 F CA 0.188 58.186 58.000 -0.004 0.000 1.375 549 F CB -0.055 38.941 39.000 -0.005 0.000 1.109 549 F HN 0.142 nan 8.300 nan 0.000 0.585 550 G N 0.726 109.616 108.800 0.150 0.000 2.212 550 G HA2 -0.148 3.805 3.960 -0.012 0.000 0.255 550 G HA3 -0.148 3.805 3.960 -0.012 0.000 0.255 550 G C 0.763 175.712 174.900 0.081 0.000 1.062 550 G CA 0.155 45.309 45.100 0.089 0.000 0.815 550 G HN 0.627 nan 8.290 nan 0.000 0.497 551 A N -0.483 122.395 122.820 0.096 0.000 2.543 551 A HA 0.521 4.833 4.320 -0.012 0.000 0.258 551 A C 1.510 179.121 177.584 0.045 0.000 1.391 551 A CA 1.022 53.102 52.037 0.071 0.000 1.066 551 A CB -0.196 18.860 19.000 0.093 0.000 0.972 551 A HN 0.642 nan 8.150 nan 0.000 0.560 552 E N -0.135 120.087 120.200 0.036 0.000 2.106 552 E HA -0.208 4.135 4.350 -0.012 0.000 0.192 552 E C 2.099 178.710 176.600 0.019 0.000 0.984 552 E CA 1.105 57.521 56.400 0.027 0.000 0.806 552 E CB -0.010 29.704 29.700 0.023 0.000 0.750 552 E HN 0.708 nan 8.360 nan 0.000 0.458 553 R N 0.619 121.127 120.500 0.014 0.000 2.080 553 R HA -0.119 4.213 4.340 -0.012 0.000 0.236 553 R C 2.252 178.547 176.300 -0.007 0.000 1.137 553 R CA 2.074 58.176 56.100 0.003 0.000 0.943 553 R CB -0.510 29.788 30.300 -0.003 0.000 0.846 553 R HN 0.002 nan 8.270 nan 0.000 0.431 554 T N 0.625 115.174 114.554 -0.008 0.000 2.849 554 T HA -0.150 4.193 4.350 -0.012 0.000 0.270 554 T C 1.664 176.359 174.700 -0.008 0.000 1.066 554 T CA 1.494 63.582 62.100 -0.020 0.000 1.130 554 T CB -0.110 68.753 68.868 -0.009 0.000 0.864 554 T HN 0.255 nan 8.240 nan 0.000 0.481 555 M N 0.158 119.765 119.600 0.012 0.000 2.254 555 M HA 0.003 4.475 4.480 -0.012 0.000 0.265 555 M C 2.549 178.863 176.300 0.023 0.000 1.066 555 M CA 1.046 56.360 55.300 0.023 0.000 1.123 555 M CB -0.230 32.388 32.600 0.031 0.000 1.388 555 M HN 0.348 nan 8.290 nan 0.000 0.425 556 A N 0.448 123.278 122.820 0.018 0.000 1.832 556 A HA -0.129 4.184 4.320 -0.012 0.000 0.214 556 A C 1.908 179.513 177.584 0.035 0.000 1.204 556 A CA 1.105 53.160 52.037 0.030 0.000 0.606 556 A CB -0.545 18.471 19.000 0.028 0.000 0.849 556 A HN 0.390 nan 8.150 nan 0.000 0.445 557 M N -0.406 119.190 119.600 -0.007 0.000 2.337 557 M HA -0.113 4.359 4.480 -0.012 0.000 0.261 557 M C 2.008 178.268 176.300 -0.068 0.000 1.067 557 M CA 1.068 56.327 55.300 -0.069 0.000 1.074 557 M CB -1.348 31.122 32.600 -0.216 0.000 1.395 557 M HN 0.521 nan 8.290 nan 0.000 0.431 558 L N -0.229 120.982 121.223 -0.020 0.000 2.270 558 L HA -0.124 4.209 4.340 -0.012 0.000 0.210 558 L C 1.313 178.231 176.870 0.080 0.000 1.104 558 L CA 1.091 55.939 54.840 0.013 0.000 0.804 558 L CB -0.072 41.991 42.059 0.007 0.000 0.937 558 L HN 0.146 nan 8.230 nan 0.000 0.450 559 D N -0.785 119.665 120.400 0.084 0.000 2.354 559 D HA -0.032 4.601 4.640 -0.012 0.000 0.209 559 D C 1.741 178.115 176.300 0.123 0.000 1.015 559 D CA 0.242 54.295 54.000 0.087 0.000 0.867 559 D CB 0.173 41.009 40.800 0.061 0.000 0.933 559 D HN 0.148 nan 8.370 nan 0.000 0.520 560 R N -0.049 120.572 120.500 0.201 0.000 2.317 560 R HA 0.062 4.394 4.340 -0.012 0.000 0.208 560 R C -0.059 176.462 176.300 0.368 0.000 0.914 560 R CA 0.099 56.355 56.100 0.261 0.000 1.060 560 R CB 0.075 30.560 30.300 0.308 0.000 1.015 560 R HN 0.023 nan 8.270 nan 0.000 0.498 561 F N -0.482 119.469 119.950 0.003 0.000 2.835 561 F HA 0.320 4.839 4.527 -0.012 0.000 0.342 561 F C 1.149 176.948 175.800 -0.002 0.000 1.202 561 F CA -0.422 57.578 58.000 0.000 0.000 1.240 561 F CB 0.732 39.732 39.000 0.000 0.000 1.005 561 F HN 0.112 nan 8.300 nan 0.000 0.507 562 G N 0.793 109.660 108.800 0.111 0.000 2.337 562 G HA2 -0.366 3.586 3.960 -0.012 0.000 0.290 562 G HA3 -0.366 3.586 3.960 -0.012 0.000 0.290 562 G C 1.291 176.229 174.900 0.063 0.000 1.003 562 G CA 0.826 45.961 45.100 0.059 0.000 0.825 562 G HN 0.177 nan 8.290 nan 0.000 0.509 563 M N 0.944 120.598 119.600 0.090 0.000 2.132 563 M HA -0.010 4.463 4.480 -0.012 0.000 0.263 563 M C 2.030 178.343 176.300 0.021 0.000 1.065 563 M CA 1.669 57.003 55.300 0.057 0.000 1.122 563 M CB -0.983 31.653 32.600 0.061 0.000 1.365 563 M HN 0.529 nan 8.290 nan 0.000 0.411 564 D N -0.273 120.143 120.400 0.027 0.000 2.417 564 D HA -0.163 4.470 4.640 -0.012 0.000 0.240 564 D C 0.698 177.000 176.300 0.003 0.000 1.062 564 D CA 0.643 54.651 54.000 0.014 0.000 0.959 564 D CB -0.391 40.427 40.800 0.029 0.000 0.877 564 D HN 0.410 nan 8.370 nan 0.000 0.528 565 D N 0.148 120.548 120.400 -0.000 0.000 2.431 565 D HA -0.033 4.599 4.640 -0.012 0.000 0.227 565 D C 0.197 176.485 176.300 -0.020 0.000 1.030 565 D CA 0.308 54.306 54.000 -0.004 0.000 0.897 565 D CB 0.638 41.440 40.800 0.003 0.000 1.058 565 D HN 0.122 nan 8.370 nan 0.000 0.500 566 S N 1.209 116.891 115.700 -0.029 0.000 2.642 566 S HA 0.214 4.677 4.470 -0.012 0.000 0.309 566 S C 1.273 175.808 174.600 -0.108 0.000 1.125 566 S CA -0.493 57.679 58.200 -0.048 0.000 1.055 566 S CB 1.133 64.315 63.200 -0.030 0.000 1.157 566 S HN -0.055 nan 8.310 nan 0.000 0.513 567 T N 3.771 118.244 114.554 -0.135 0.000 2.427 567 T HA -0.128 4.215 4.350 -0.012 0.000 0.244 567 T C -1.312 173.082 174.700 -0.511 0.000 1.325 567 T CA 1.371 63.301 62.100 -0.283 0.000 1.173 567 T CB -1.943 66.816 68.868 -0.182 0.000 0.859 567 T HN 0.608 nan 8.240 nan 0.000 0.415 568 P HA 0.592 nan 4.420 nan 0.000 0.278 568 P C -1.026 176.192 177.300 -0.138 0.000 1.238 568 P CA -0.259 62.670 63.100 -0.286 0.000 0.794 568 P CB 0.941 32.606 31.700 -0.057 0.000 0.955 569 I N 1.057 121.583 120.570 -0.073 0.000 2.702 569 I HA 0.214 4.377 4.170 -0.012 0.000 0.287 569 I C -1.238 174.887 176.117 0.013 0.000 1.342 569 I CA -0.543 60.742 61.300 -0.025 0.000 1.063 569 I CB 1.901 39.882 38.000 -0.032 0.000 1.331 569 I HN 0.321 nan 8.210 nan 0.000 0.427 570 Q N 4.374 124.181 119.800 0.012 0.000 2.226 570 Q HA 0.851 5.184 4.340 -0.012 0.000 0.256 570 Q C -0.880 175.123 176.000 0.006 0.000 0.962 570 Q CA -0.947 54.865 55.803 0.015 0.000 0.887 570 Q CB 2.214 30.958 28.738 0.011 0.000 1.282 570 Q HN 0.663 nan 8.270 nan 0.000 0.449 571 S N 0.009 115.711 115.700 0.004 0.000 2.542 571 S HA 0.229 4.691 4.470 -0.012 0.000 0.276 571 S C -0.228 174.365 174.600 -0.010 0.000 1.148 571 S CA -0.711 57.485 58.200 -0.006 0.000 0.886 571 S CB 1.094 64.287 63.200 -0.012 0.000 1.109 571 S HN 0.555 nan 8.310 nan 0.000 0.458 572 K N 2.683 123.074 120.400 -0.015 0.000 1.980 572 K HA 0.106 4.419 4.320 -0.012 0.000 0.208 572 K C 1.561 178.146 176.600 -0.026 0.000 1.043 572 K CA 1.141 57.417 56.287 -0.019 0.000 0.938 572 K CB -0.448 32.041 32.500 -0.018 0.000 0.724 572 K HN 0.708 nan 8.250 nan 0.000 0.438 573 M N 1.707 121.289 119.600 -0.029 0.000 2.864 573 M HA -0.066 4.407 4.480 -0.012 0.000 0.218 573 M C 1.562 177.840 176.300 -0.035 0.000 0.977 573 M CA 0.643 55.922 55.300 -0.035 0.000 1.093 573 M CB -1.203 31.373 32.600 -0.039 0.000 1.555 573 M HN 0.000 nan 8.290 nan 0.000 0.554 574 V N -2.280 117.616 119.914 -0.029 0.000 3.161 574 V HA 0.072 4.184 4.120 -0.012 0.000 0.228 574 V C 1.812 177.892 176.094 -0.022 0.000 1.415 574 V CA 0.830 63.118 62.300 -0.021 0.000 1.285 574 V CB 0.783 32.603 31.823 -0.006 0.000 1.100 574 V HN 0.318 nan 8.190 nan 0.000 0.478 575 S N 0.421 116.107 115.700 -0.023 0.000 2.406 575 S HA 0.070 4.533 4.470 -0.012 0.000 0.224 575 S C 1.760 176.330 174.600 -0.051 0.000 1.030 575 S CA 0.576 58.758 58.200 -0.030 0.000 0.958 575 S CB -0.113 63.075 63.200 -0.021 0.000 0.811 575 S HN 0.404 nan 8.310 nan 0.000 0.489 576 R N 1.279 121.751 120.500 -0.047 0.000 2.323 576 R HA 0.265 4.598 4.340 -0.012 0.000 0.198 576 R C 1.574 177.829 176.300 -0.075 0.000 0.988 576 R CA 0.560 56.627 56.100 -0.055 0.000 1.041 576 R CB -0.782 29.492 30.300 -0.042 0.000 0.926 576 R HN 0.416 nan 8.270 nan 0.000 0.476 577 A N -0.135 122.637 122.820 -0.081 0.000 1.963 577 A HA 0.028 4.340 4.320 -0.012 0.000 0.207 577 A C 1.994 179.471 177.584 -0.177 0.000 1.243 577 A CA 0.275 52.247 52.037 -0.108 0.000 0.728 577 A CB -0.342 18.612 19.000 -0.077 0.000 0.895 577 A HN 0.086 nan 8.150 nan 0.000 0.467 578 V N 0.278 120.106 119.914 -0.143 0.000 2.867 578 V HA -0.175 3.938 4.120 -0.012 0.000 0.260 578 V C 2.041 177.987 176.094 -0.247 0.000 1.099 578 V CA 2.429 64.614 62.300 -0.191 0.000 1.122 578 V CB -0.356 31.448 31.823 -0.031 0.000 0.708 578 V HN 0.633 nan 8.190 nan 0.000 0.490 579 E N 0.105 120.199 120.200 -0.178 0.000 2.042 579 E HA -0.118 4.225 4.350 -0.012 0.000 0.189 579 E C 2.394 178.886 176.600 -0.180 0.000 0.974 579 E CA 1.259 57.569 56.400 -0.151 0.000 0.806 579 E CB -0.091 29.548 29.700 -0.102 0.000 0.769 579 E HN 0.801 nan 8.360 nan 0.000 0.451 580 S N 0.897 116.496 115.700 -0.169 0.000 2.420 580 S HA -0.192 4.271 4.470 -0.012 0.000 0.237 580 S C 2.158 176.625 174.600 -0.222 0.000 1.023 580 S CA 1.714 59.821 58.200 -0.155 0.000 0.991 580 S CB -0.490 62.636 63.200 -0.125 0.000 0.792 580 S HN 0.226 nan 8.310 nan 0.000 0.488 581 S N 1.537 116.999 115.700 -0.397 0.000 2.395 581 S HA -0.059 4.404 4.470 -0.012 0.000 0.225 581 S C 2.039 176.322 174.600 -0.527 0.000 1.027 581 S CA 0.645 58.464 58.200 -0.634 0.000 0.965 581 S CB -0.653 61.743 63.200 -1.340 0.000 0.812 581 S HN 0.608 nan 8.310 nan 0.000 0.482 582 Q N 1.437 120.986 119.800 -0.419 0.000 2.084 582 Q HA -0.064 4.269 4.340 -0.012 0.000 0.202 582 Q C 2.210 178.193 176.000 -0.027 0.000 0.978 582 Q CA 1.370 57.125 55.803 -0.079 0.000 0.844 582 Q CB -0.248 28.477 28.738 -0.022 0.000 0.898 582 Q HN 0.587 nan 8.270 nan 0.000 0.426 583 K N 0.466 120.825 120.400 -0.069 0.000 2.113 583 K HA -0.186 4.127 4.320 -0.012 0.000 0.208 583 K C 2.033 178.628 176.600 -0.009 0.000 1.047 583 K CA 1.211 57.476 56.287 -0.037 0.000 0.928 583 K CB -0.203 32.266 32.500 -0.051 0.000 0.716 583 K HN 0.200 nan 8.250 nan 0.000 0.446 584 R N 0.568 121.056 120.500 -0.021 0.000 2.120 584 R HA -0.088 4.244 4.340 -0.012 0.000 0.234 584 R C 2.326 178.662 176.300 0.060 0.000 1.123 584 R CA 1.168 57.277 56.100 0.015 0.000 0.975 584 R CB -0.395 29.907 30.300 0.004 0.000 0.866 584 R HN 0.044 nan 8.270 nan 0.000 0.446 585 V N 1.378 121.347 119.914 0.092 0.000 2.379 585 V HA -0.176 3.937 4.120 -0.012 0.000 0.245 585 V C 1.969 178.117 176.094 0.090 0.000 1.044 585 V CA 1.687 64.060 62.300 0.121 0.000 1.036 585 V CB -0.431 31.504 31.823 0.187 0.000 0.664 585 V HN 0.336 nan 8.190 nan 0.000 0.453 586 E N 0.831 121.074 120.200 0.072 0.000 2.150 586 E HA -0.116 4.226 4.350 -0.012 0.000 0.193 586 E C 2.267 178.915 176.600 0.081 0.000 0.985 586 E CA 1.177 57.612 56.400 0.058 0.000 0.814 586 E CB -0.376 29.337 29.700 0.022 0.000 0.752 586 E HN 0.643 nan 8.360 nan 0.000 0.466 587 G N 0.981 109.830 108.800 0.080 0.000 2.511 587 G HA2 -0.165 3.788 3.960 -0.012 0.000 0.217 587 G HA3 -0.165 3.788 3.960 -0.012 0.000 0.217 587 G C 1.407 176.386 174.900 0.131 0.000 1.133 587 G CA 0.231 45.406 45.100 0.125 0.000 0.792 587 G HN 0.080 nan 8.290 nan 0.000 0.539 588 N N 1.047 119.801 118.700 0.089 0.000 2.278 588 N HA -0.038 4.694 4.740 -0.012 0.000 0.181 588 N C 1.964 177.507 175.510 0.055 0.000 1.023 588 N CA 0.359 53.443 53.050 0.057 0.000 0.862 588 N CB -0.410 38.106 38.487 0.049 0.000 1.003 588 N HN 0.140 nan 8.380 nan 0.000 0.431 589 N N 0.859 119.605 118.700 0.077 0.000 2.137 589 N HA -0.163 4.570 4.740 -0.012 0.000 0.190 589 N C 1.559 177.124 175.510 0.092 0.000 1.017 589 N CA 0.716 53.809 53.050 0.071 0.000 0.859 589 N CB -0.358 38.174 38.487 0.075 0.000 1.002 589 N HN 0.175 nan 8.380 nan 0.000 0.428 590 F N 2.613 122.541 119.950 -0.037 0.000 2.146 590 F HA -0.116 4.404 4.527 -0.011 0.000 0.298 590 F C 1.677 177.445 175.800 -0.053 0.000 1.096 590 F CA 1.254 59.217 58.000 -0.061 0.000 1.275 590 F CB -0.451 38.506 39.000 -0.071 0.000 1.008 590 F HN -0.115 nan 8.300 nan 0.000 0.480 591 D N -0.163 120.101 120.400 -0.228 0.000 2.149 591 D HA -0.149 4.484 4.640 -0.012 0.000 0.198 591 D C 2.511 178.678 176.300 -0.222 0.000 0.990 591 D CA 1.494 55.303 54.000 -0.319 0.000 0.839 591 D CB -0.550 40.162 40.800 -0.146 0.000 0.948 591 D HN 0.254 nan 8.370 nan 0.000 0.460 592 S N 0.462 116.096 115.700 -0.109 0.000 2.363 592 S HA -0.168 4.295 4.470 -0.012 0.000 0.218 592 S C 1.932 176.487 174.600 -0.075 0.000 1.035 592 S CA 1.150 59.314 58.200 -0.060 0.000 1.043 592 S CB -0.149 63.041 63.200 -0.016 0.000 0.986 592 S HN 0.223 nan 8.310 nan 0.000 0.423 593 R N 1.174 121.636 120.500 -0.065 0.000 2.096 593 R HA -0.122 4.210 4.340 -0.012 0.000 0.240 593 R C 2.414 178.642 176.300 -0.120 0.000 1.139 593 R CA 1.654 57.723 56.100 -0.052 0.000 0.952 593 R CB -0.293 30.007 30.300 -0.001 0.000 0.854 593 R HN 0.312 nan 8.270 nan 0.000 0.436 594 K N 0.692 120.936 120.400 -0.260 0.000 2.147 594 K HA -0.217 4.096 4.320 -0.012 0.000 0.205 594 K C 2.191 178.657 176.600 -0.224 0.000 1.049 594 K CA 1.423 57.517 56.287 -0.321 0.000 0.936 594 K CB 0.068 32.199 32.500 -0.615 0.000 0.722 594 K HN 0.203 nan 8.250 nan 0.000 0.446 595 Q N 0.165 119.857 119.800 -0.179 0.000 2.137 595 Q HA -0.121 4.212 4.340 -0.012 0.000 0.198 595 Q C 2.072 178.046 176.000 -0.043 0.000 0.960 595 Q CA 0.803 56.529 55.803 -0.128 0.000 0.847 595 Q CB 0.061 28.763 28.738 -0.059 0.000 0.915 595 Q HN 0.290 nan 8.270 nan 0.000 0.448 596 L N 0.536 121.751 121.223 -0.012 0.000 2.005 596 L HA -0.167 4.166 4.340 -0.012 0.000 0.207 596 L C 2.198 179.083 176.870 0.024 0.000 1.072 596 L CA 1.375 56.236 54.840 0.035 0.000 0.744 596 L CB -0.671 41.388 42.059 -0.000 0.000 0.895 596 L HN 0.332 nan 8.230 nan 0.000 0.433 597 L N -0.376 120.834 121.223 -0.021 0.000 2.042 597 L HA -0.282 4.051 4.340 -0.012 0.000 0.210 597 L C 2.496 179.348 176.870 -0.031 0.000 1.076 597 L CA 1.909 56.740 54.840 -0.015 0.000 0.749 597 L CB -0.788 41.249 42.059 -0.037 0.000 0.893 597 L HN 0.454 nan 8.230 nan 0.000 0.432 598 Q N -1.665 118.075 119.800 -0.100 0.000 2.096 598 Q HA -0.264 4.068 4.340 -0.012 0.000 0.204 598 Q C 2.206 178.130 176.000 -0.127 0.000 0.982 598 Q CA 2.418 58.129 55.803 -0.153 0.000 0.850 598 Q CB -0.409 28.172 28.738 -0.262 0.000 0.901 598 Q HN 0.620 nan 8.270 nan 0.000 0.422 599 Y N 0.317 120.566 120.300 -0.085 0.000 2.181 599 Y HA -0.252 4.290 4.550 -0.013 0.000 0.288 599 Y C 2.131 178.050 175.900 0.032 0.000 1.146 599 Y CA 1.270 59.304 58.100 -0.110 0.000 1.164 599 Y CB -0.002 38.251 38.460 -0.346 0.000 0.982 599 Y HN 0.210 nan 8.280 nan 0.000 0.515 600 D N -0.183 120.310 120.400 0.156 0.000 2.144 600 D HA -0.175 4.458 4.640 -0.012 0.000 0.200 600 D C 1.450 177.813 176.300 0.105 0.000 0.978 600 D CA 1.368 55.442 54.000 0.124 0.000 0.833 600 D CB -0.172 40.674 40.800 0.075 0.000 0.961 600 D HN 0.142 nan 8.370 nan 0.000 0.470 601 D N -0.583 119.856 120.400 0.064 0.000 2.280 601 D HA -0.136 4.497 4.640 -0.012 0.000 0.206 601 D C 2.004 178.325 176.300 0.034 0.000 0.988 601 D CA 0.423 54.440 54.000 0.029 0.000 0.886 601 D CB -0.006 40.787 40.800 -0.011 0.000 0.914 601 D HN 0.197 nan 8.370 nan 0.000 0.473 602 V N 0.212 120.182 119.914 0.094 0.000 2.407 602 V HA -0.145 3.968 4.120 -0.012 0.000 0.245 602 V C 2.565 178.682 176.094 0.039 0.000 1.041 602 V CA 0.827 63.170 62.300 0.072 0.000 1.040 602 V CB -0.290 31.627 31.823 0.157 0.000 0.671 602 V HN 0.205 nan 8.190 nan 0.000 0.455 603 L N 0.609 121.891 121.223 0.099 0.000 2.017 603 L HA -0.193 4.140 4.340 -0.012 0.000 0.208 603 L C 2.685 179.586 176.870 0.052 0.000 1.073 603 L CA 2.014 56.911 54.840 0.096 0.000 0.745 603 L CB -0.604 41.531 42.059 0.127 0.000 0.894 603 L HN 0.433 nan 8.230 nan 0.000 0.432 604 R N -0.002 120.519 120.500 0.036 0.000 2.377 604 R HA -0.180 4.153 4.340 -0.012 0.000 0.207 604 R C 1.804 178.079 176.300 -0.043 0.000 1.075 604 R CA 1.149 57.251 56.100 0.003 0.000 1.035 604 R CB -0.483 29.825 30.300 0.014 0.000 0.857 604 R HN 0.449 nan 8.270 nan 0.000 0.475 605 Q N -0.146 119.609 119.800 -0.075 0.000 2.378 605 Q HA 0.052 4.385 4.340 -0.012 0.000 0.216 605 Q C 1.361 177.226 176.000 -0.225 0.000 0.892 605 Q CA 0.251 55.980 55.803 -0.122 0.000 0.931 605 Q CB 0.401 29.062 28.738 -0.127 0.000 1.086 605 Q HN 0.630 nan 8.270 nan 0.000 0.528 606 Q N -0.537 119.114 119.800 -0.249 0.000 2.200 606 Q HA 0.067 4.400 4.340 -0.012 0.000 0.197 606 Q C 1.948 177.884 176.000 -0.107 0.000 0.953 606 Q CA 0.087 55.653 55.803 -0.395 0.000 0.851 606 Q CB 0.215 28.804 28.738 -0.249 0.000 0.938 606 Q HN 0.183 nan 8.270 nan 0.000 0.488 607 R N 1.536 122.008 120.500 -0.047 0.000 2.097 607 R HA -0.222 4.111 4.340 -0.012 0.000 0.236 607 R C 2.388 178.417 176.300 -0.451 0.000 1.135 607 R CA 2.025 57.894 56.100 -0.386 0.000 0.934 607 R CB -0.510 29.570 30.300 -0.368 0.000 0.846 607 R HN 0.472 nan 8.270 nan 0.000 0.431 608 E N 0.874 120.954 120.200 -0.200 0.000 2.097 608 E HA -0.179 4.164 4.350 -0.012 0.000 0.196 608 E C 1.920 178.492 176.600 -0.048 0.000 1.000 608 E CA 1.830 58.186 56.400 -0.075 0.000 0.804 608 E CB -0.410 29.269 29.700 -0.034 0.000 0.740 608 E HN 0.137 nan 8.360 nan 0.000 0.454 609 V N 0.667 120.550 119.914 -0.051 0.000 2.407 609 V HA -0.236 3.877 4.120 -0.012 0.000 0.248 609 V C 2.315 178.409 176.094 0.001 0.000 1.055 609 V CA 1.550 63.871 62.300 0.034 0.000 1.049 609 V CB -0.393 31.539 31.823 0.181 0.000 0.662 609 V HN 0.231 nan 8.190 nan 0.000 0.455 610 I N -1.817 118.675 120.570 -0.130 0.000 2.494 610 I HA -0.045 4.118 4.170 -0.012 0.000 0.250 610 I C 2.213 178.277 176.117 -0.088 0.000 1.112 610 I CA 1.073 62.219 61.300 -0.257 0.000 1.438 610 I CB -0.495 37.023 38.000 -0.805 0.000 1.111 610 I HN 0.173 nan 8.210 nan 0.000 0.431 611 Y N 1.061 121.190 120.300 -0.285 0.000 2.114 611 Y HA -0.244 4.299 4.550 -0.012 0.000 0.284 611 Y C 2.597 178.459 175.900 -0.064 0.000 1.143 611 Y CA 1.355 59.350 58.100 -0.174 0.000 1.135 611 Y CB -1.140 37.246 38.460 -0.123 0.000 0.980 611 Y HN 0.156 nan 8.280 nan 0.000 0.499 612 K N 0.192 120.665 120.400 0.122 0.000 2.063 612 K HA -0.296 4.017 4.320 -0.012 0.000 0.208 612 K C 2.149 178.813 176.600 0.105 0.000 1.048 612 K CA 1.908 58.255 56.287 0.100 0.000 0.928 612 K CB -0.117 32.417 32.500 0.057 0.000 0.713 612 K HN 0.198 nan 8.250 nan 0.000 0.442 613 Q N 1.054 120.881 119.800 0.045 0.000 2.167 613 Q HA -0.134 4.199 4.340 -0.012 0.000 0.202 613 Q C 2.003 177.996 176.000 -0.013 0.000 0.970 613 Q CA 1.536 57.343 55.803 0.007 0.000 0.855 613 Q CB -0.085 28.636 28.738 -0.029 0.000 0.911 613 Q HN 0.353 nan 8.270 nan 0.000 0.438 614 R N -1.222 119.268 120.500 -0.018 0.000 2.073 614 R HA -0.074 4.258 4.340 -0.012 0.000 0.229 614 R C 2.015 178.296 176.300 -0.032 0.000 1.120 614 R CA 1.199 57.263 56.100 -0.060 0.000 0.967 614 R CB -0.464 29.770 30.300 -0.112 0.000 0.862 614 R HN 0.378 nan 8.270 nan 0.000 0.436 615 F N 1.789 121.668 119.950 -0.119 0.000 2.102 615 F HA -0.137 4.383 4.527 -0.012 0.000 0.298 615 F C 2.160 177.916 175.800 -0.073 0.000 1.105 615 F CA 2.045 59.982 58.000 -0.105 0.000 1.239 615 F CB -0.319 38.627 39.000 -0.090 0.000 0.991 615 F HN 0.123 nan 8.300 nan 0.000 0.474 616 E N -0.157 120.090 120.200 0.079 0.000 2.147 616 E HA -0.221 4.122 4.350 -0.012 0.000 0.199 616 E C 2.052 178.568 176.600 -0.141 0.000 1.005 616 E CA 1.951 58.337 56.400 -0.025 0.000 0.810 616 E CB -0.175 29.550 29.700 0.042 0.000 0.736 616 E HN 0.373 nan 8.360 nan 0.000 0.460 617 V N 0.834 120.671 119.914 -0.129 0.000 2.302 617 V HA -0.212 3.901 4.120 -0.012 0.000 0.243 617 V C 2.383 178.366 176.094 -0.185 0.000 1.036 617 V CA 1.466 63.684 62.300 -0.136 0.000 1.020 617 V CB -0.413 31.338 31.823 -0.120 0.000 0.657 617 V HN 0.347 nan 8.190 nan 0.000 0.453 618 I N 0.617 121.051 120.570 -0.225 0.000 2.181 618 I HA -0.257 3.906 4.170 -0.012 0.000 0.247 618 I C 1.092 177.040 176.117 -0.282 0.000 1.081 618 I CA 1.989 63.141 61.300 -0.247 0.000 1.340 618 I CB -0.089 37.754 38.000 -0.262 0.000 1.036 618 I HN 0.437 nan 8.210 nan 0.000 0.417 619 D N 0.840 120.984 120.400 -0.426 0.000 2.438 619 D HA 0.261 4.894 4.640 -0.012 0.000 0.257 619 D C -0.719 175.426 176.300 -0.258 0.000 1.148 619 D CA -0.280 53.491 54.000 -0.382 0.000 0.902 619 D CB 0.662 41.083 40.800 -0.633 0.000 1.062 619 D HN 0.130 nan 8.370 nan 0.000 0.518 620 S N 1.781 117.391 115.700 -0.150 0.000 2.541 620 S HA 0.396 4.859 4.470 -0.012 0.000 0.271 620 S C 0.614 175.183 174.600 -0.052 0.000 1.133 620 S CA -0.870 57.274 58.200 -0.093 0.000 0.876 620 S CB 2.029 65.180 63.200 -0.082 0.000 1.105 620 S HN 0.175 nan 8.310 nan 0.000 0.470 621 E N 2.165 122.346 120.200 -0.032 0.000 2.004 621 E HA -0.005 4.338 4.350 -0.012 0.000 0.192 621 E C 0.408 177.006 176.600 -0.003 0.000 0.987 621 E CA 1.516 57.908 56.400 -0.014 0.000 0.822 621 E CB -0.103 29.593 29.700 -0.007 0.000 0.779 621 E HN 0.831 nan 8.360 nan 0.000 0.458 622 N N 0.286 118.987 118.700 0.002 0.000 2.361 622 N HA 0.154 4.887 4.740 -0.012 0.000 0.302 622 N C -0.198 175.320 175.510 0.013 0.000 1.074 622 N CA -0.314 52.746 53.050 0.017 0.000 0.850 622 N CB 1.986 40.489 38.487 0.026 0.000 1.228 622 N HN 0.195 nan 8.380 nan 0.000 0.491 623 L N 1.520 122.760 121.223 0.029 0.000 2.858 623 L HA 0.219 4.552 4.340 -0.012 0.000 0.251 623 L C 2.344 179.235 176.870 0.034 0.000 1.149 623 L CA 0.084 54.932 54.840 0.015 0.000 0.955 623 L CB -0.265 41.797 42.059 0.006 0.000 1.289 623 L HN 0.709 nan 8.230 nan 0.000 0.542 624 R N -0.712 119.841 120.500 0.089 0.000 2.092 624 R HA -0.152 4.180 4.340 -0.012 0.000 0.231 624 R C 1.738 178.054 176.300 0.027 0.000 1.119 624 R CA 1.721 57.901 56.100 0.135 0.000 0.970 624 R CB -0.390 30.094 30.300 0.307 0.000 0.864 624 R HN 0.297 nan 8.270 nan 0.000 0.440 625 E N 0.678 120.892 120.200 0.024 0.000 2.110 625 E HA -0.139 4.204 4.350 -0.012 0.000 0.193 625 E C 1.784 178.363 176.600 -0.035 0.000 0.988 625 E CA 1.484 57.882 56.400 -0.004 0.000 0.804 625 E CB 0.105 29.808 29.700 0.004 0.000 0.745 625 E HN 0.327 nan 8.360 nan 0.000 0.458 626 I N 0.079 120.626 120.570 -0.038 0.000 2.094 626 I HA -0.217 3.945 4.170 -0.012 0.000 0.234 626 I C 2.359 178.423 176.117 -0.089 0.000 1.063 626 I CA 0.824 62.090 61.300 -0.056 0.000 1.328 626 I CB -1.349 36.618 38.000 -0.054 0.000 1.058 626 I HN 0.077 nan 8.210 nan 0.000 0.400 627 V N 1.127 120.977 119.914 -0.107 0.000 2.278 627 V HA -0.317 3.796 4.120 -0.012 0.000 0.251 627 V C 2.528 178.493 176.094 -0.215 0.000 1.062 627 V CA 1.986 64.190 62.300 -0.160 0.000 1.038 627 V CB -0.828 30.889 31.823 -0.176 0.000 0.646 627 V HN 0.435 nan 8.190 nan 0.000 0.447 628 E N 0.102 120.156 120.200 -0.244 0.000 2.023 628 E HA -0.306 4.037 4.350 -0.012 0.000 0.196 628 E C 2.147 178.647 176.600 -0.166 0.000 1.003 628 E CA 1.659 57.909 56.400 -0.250 0.000 0.809 628 E CB -0.380 29.207 29.700 -0.189 0.000 0.755 628 E HN 0.672 nan 8.360 nan 0.000 0.449 629 N N 0.692 119.324 118.700 -0.113 0.000 2.096 629 N HA -0.227 4.506 4.740 -0.012 0.000 0.195 629 N C 1.762 177.215 175.510 -0.096 0.000 1.017 629 N CA 1.896 54.895 53.050 -0.086 0.000 0.870 629 N CB -0.104 38.346 38.487 -0.061 0.000 1.024 629 N HN 0.124 nan 8.380 nan 0.000 0.434 630 M N -0.676 118.859 119.600 -0.108 0.000 2.175 630 M HA -0.076 4.397 4.480 -0.012 0.000 0.264 630 M C 1.951 178.175 176.300 -0.125 0.000 1.063 630 M CA 1.068 56.305 55.300 -0.104 0.000 1.119 630 M CB -0.267 32.271 32.600 -0.104 0.000 1.377 630 M HN 0.224 nan 8.290 nan 0.000 0.415 631 I N 0.256 120.722 120.570 -0.173 0.000 2.133 631 I HA -0.298 3.865 4.170 -0.012 0.000 0.238 631 I C 2.579 178.551 176.117 -0.242 0.000 1.074 631 I CA 1.379 62.532 61.300 -0.245 0.000 1.342 631 I CB -0.465 37.352 38.000 -0.304 0.000 1.053 631 I HN 0.254 nan 8.210 nan 0.000 0.404 632 K N 0.370 120.658 120.400 -0.186 0.000 2.218 632 K HA -0.238 4.075 4.320 -0.012 0.000 0.205 632 K C 2.307 178.849 176.600 -0.098 0.000 1.046 632 K CA 1.719 57.924 56.287 -0.137 0.000 0.933 632 K CB -0.086 32.357 32.500 -0.095 0.000 0.728 632 K HN 0.185 nan 8.250 nan 0.000 0.454 633 S N -0.402 115.244 115.700 -0.089 0.000 2.355 633 S HA -0.106 4.357 4.470 -0.012 0.000 0.222 633 S C 1.926 176.502 174.600 -0.041 0.000 1.031 633 S CA 1.720 59.886 58.200 -0.057 0.000 0.993 633 S CB -0.259 62.907 63.200 -0.056 0.000 0.859 633 S HN 0.406 nan 8.310 nan 0.000 0.453 634 S N 0.124 115.793 115.700 -0.052 0.000 2.481 634 S HA 0.056 4.519 4.470 -0.012 0.000 0.231 634 S C 1.601 176.251 174.600 0.083 0.000 0.996 634 S CA 0.681 58.892 58.200 0.018 0.000 0.942 634 S CB -0.351 62.876 63.200 0.045 0.000 0.768 634 S HN 0.466 nan 8.310 nan 0.000 0.520 635 L N 1.651 122.860 121.223 -0.023 0.000 2.127 635 L HA 0.251 4.583 4.340 -0.012 0.000 0.203 635 L C 2.214 179.123 176.870 0.064 0.000 1.080 635 L CA 1.824 56.694 54.840 0.050 0.000 0.768 635 L CB -0.821 41.173 42.059 -0.109 0.000 0.924 635 L HN 0.308 nan 8.230 nan 0.000 0.444 636 E N -0.333 119.874 120.200 0.012 0.000 2.038 636 E HA -0.278 4.064 4.350 -0.012 0.000 0.195 636 E C 2.312 178.922 176.600 0.017 0.000 1.000 636 E CA 1.353 57.757 56.400 0.006 0.000 0.803 636 E CB -0.077 29.618 29.700 -0.007 0.000 0.750 636 E HN 0.426 nan 8.360 nan 0.000 0.448 637 R N -0.130 120.383 120.500 0.023 0.000 2.117 637 R HA -0.192 4.141 4.340 -0.012 0.000 0.243 637 R C 2.338 178.658 176.300 0.032 0.000 1.143 637 R CA 1.181 57.293 56.100 0.021 0.000 0.968 637 R CB -0.328 29.985 30.300 0.022 0.000 0.863 637 R HN 0.203 nan 8.270 nan 0.000 0.444 638 A N 1.303 124.169 122.820 0.076 0.000 1.832 638 A HA -0.129 4.183 4.320 -0.012 0.000 0.214 638 A C 2.169 179.821 177.584 0.113 0.000 1.200 638 A CA 1.138 53.237 52.037 0.103 0.000 0.610 638 A CB -0.553 18.548 19.000 0.168 0.000 0.842 638 A HN 0.160 nan 8.150 nan 0.000 0.444 639 I N 0.039 120.666 120.570 0.094 0.000 2.118 639 I HA -0.337 3.826 4.170 -0.012 0.000 0.241 639 I C 3.007 179.106 176.117 -0.031 0.000 1.070 639 I CA 1.311 62.637 61.300 0.044 0.000 1.327 639 I CB -0.595 37.408 38.000 0.004 0.000 1.034 639 I HN 0.372 nan 8.210 nan 0.000 0.405 640 A N 0.973 123.767 122.820 -0.044 0.000 1.917 640 A HA -0.238 4.074 4.320 -0.012 0.000 0.219 640 A C 2.509 180.040 177.584 -0.089 0.000 1.182 640 A CA 2.163 54.153 52.037 -0.079 0.000 0.633 640 A CB -0.959 18.017 19.000 -0.039 0.000 0.819 640 A HN 0.486 nan 8.150 nan 0.000 0.448 641 A N -2.726 120.056 122.820 -0.064 0.000 2.125 641 A HA -0.034 4.279 4.320 -0.012 0.000 0.219 641 A C 1.777 179.235 177.584 -0.209 0.000 1.156 641 A CA 1.405 53.373 52.037 -0.115 0.000 0.671 641 A CB -0.559 18.371 19.000 -0.117 0.000 0.794 641 A HN 0.594 nan 8.150 nan 0.000 0.459 642 Y N -0.116 120.109 120.300 -0.124 0.000 2.458 642 Y HA 0.124 4.667 4.550 -0.012 0.000 0.256 642 Y C 1.209 176.816 175.900 -0.489 0.000 1.159 642 Y CA 0.794 58.791 58.100 -0.172 0.000 1.261 642 Y CB 0.534 38.925 38.460 -0.115 0.000 1.119 642 Y HN 0.317 nan 8.280 nan 0.000 0.524 643 T N -2.068 112.184 114.554 -0.503 0.000 3.630 643 T HA 0.408 4.751 4.350 -0.012 0.000 0.238 643 T C -2.682 171.920 174.700 -0.163 0.000 1.195 643 T CA -1.984 59.400 62.100 -1.193 0.000 1.433 643 T CB 0.626 68.579 68.868 -1.525 0.000 0.940 643 T HN -0.221 nan 8.240 nan 0.000 0.641 644 P HA 0.121 nan 4.420 nan 0.000 0.273 644 P C -0.103 177.391 177.300 0.323 0.000 1.252 644 P CA -0.451 62.774 63.100 0.208 0.000 0.809 644 P CB 0.413 32.222 31.700 0.182 0.000 1.017 645 R N 1.268 121.883 120.500 0.192 0.000 2.543 645 R HA -0.049 4.283 4.340 -0.012 0.000 0.348 645 R C 0.337 176.728 176.300 0.152 0.000 0.981 645 R CA 0.367 56.563 56.100 0.159 0.000 1.019 645 R CB -1.092 29.265 30.300 0.095 0.000 0.944 645 R HN 0.435 nan 8.270 nan 0.000 0.425 646 E N 0.116 120.414 120.200 0.163 0.000 2.609 646 E HA -0.300 4.043 4.350 -0.012 0.000 0.253 646 E C -0.648 175.933 176.600 -0.032 0.000 1.237 646 E CA 1.634 58.054 56.400 0.032 0.000 0.720 646 E CB -1.093 28.610 29.700 0.004 0.000 1.300 646 E HN 0.815 nan 8.360 nan 0.000 0.420 647 E N 1.662 121.895 120.200 0.054 0.000 1.881 647 E HA 0.239 4.582 4.350 -0.012 0.000 0.264 647 E C -0.231 176.283 176.600 -0.144 0.000 1.243 647 E CA -0.192 56.218 56.400 0.017 0.000 0.965 647 E CB -0.114 29.662 29.700 0.127 0.000 1.055 647 E HN 0.280 nan 8.360 nan 0.000 0.412 648 L N 1.801 122.912 121.223 -0.186 0.000 3.295 648 L HA -0.207 4.126 4.340 -0.012 0.000 0.686 648 L C -1.755 174.791 176.870 -0.540 0.000 1.088 648 L CA -0.611 54.078 54.840 -0.252 0.000 1.255 648 L CB -1.318 40.652 42.059 -0.147 0.000 1.713 648 L HN 0.475 nan 8.230 nan 0.000 0.868 649 P HA -0.278 nan 4.420 nan 0.000 0.241 649 P C 1.162 177.872 177.300 -0.983 0.000 0.811 649 P CA 1.773 64.471 63.100 -0.670 0.000 1.119 649 P CB 0.183 31.676 31.700 -0.344 0.000 0.732 650 E N -1.193 118.701 120.200 -0.511 0.000 2.494 650 E HA -0.066 4.277 4.350 -0.012 0.000 0.193 650 E C 0.252 176.774 176.600 -0.129 0.000 1.074 650 E CA 0.374 56.582 56.400 -0.320 0.000 0.867 650 E CB -0.649 28.891 29.700 -0.267 0.000 0.924 650 E HN 0.206 nan 8.360 nan 0.000 0.502 651 E N -0.207 119.866 120.200 -0.212 0.000 2.411 651 E HA 0.076 4.418 4.350 -0.012 0.000 0.204 651 E C -0.645 175.979 176.600 0.039 0.000 1.059 651 E CA -0.226 56.149 56.400 -0.041 0.000 1.112 651 E CB -0.152 29.512 29.700 -0.059 0.000 1.168 651 E HN 0.201 nan 8.360 nan 0.000 0.445 652 W N 0.616 121.959 121.300 0.070 0.000 1.992 652 W HA 0.156 4.809 4.660 -0.012 0.000 0.360 652 W C 1.181 177.754 176.519 0.090 0.000 1.369 652 W CA -0.643 56.757 57.345 0.092 0.000 1.403 652 W CB 0.400 29.921 29.460 0.102 0.000 1.215 652 W HN -0.091 nan 8.180 nan 0.000 0.643 653 K N 1.651 122.284 120.400 0.388 0.000 3.233 653 K HA 0.097 4.410 4.320 -0.012 0.000 0.283 653 K C 1.091 177.695 176.600 0.006 0.000 1.209 653 K CA 0.180 56.590 56.287 0.206 0.000 1.197 653 K CB -0.939 31.729 32.500 0.280 0.000 1.431 653 K HN 0.256 nan 8.250 nan 0.000 0.326 654 L N 0.071 121.350 121.223 0.094 0.000 2.021 654 L HA -0.239 4.094 4.340 -0.012 0.000 0.215 654 L C 1.952 178.784 176.870 -0.063 0.000 1.074 654 L CA 1.829 56.680 54.840 0.019 0.000 0.760 654 L CB -0.566 41.598 42.059 0.174 0.000 0.889 654 L HN 0.456 nan 8.230 nan 0.000 0.433 655 D N -0.292 120.103 120.400 -0.008 0.000 2.221 655 D HA -0.147 4.485 4.640 -0.012 0.000 0.204 655 D C 2.136 178.402 176.300 -0.057 0.000 0.982 655 D CA 1.340 55.330 54.000 -0.017 0.000 0.857 655 D CB -0.120 40.685 40.800 0.009 0.000 0.934 655 D HN 0.337 nan 8.370 nan 0.000 0.475 656 G N 0.468 109.192 108.800 -0.127 0.000 2.394 656 G HA2 -0.192 3.760 3.960 -0.012 0.000 0.214 656 G HA3 -0.192 3.760 3.960 -0.012 0.000 0.214 656 G C 1.586 176.335 174.900 -0.251 0.000 1.176 656 G CA 0.679 45.707 45.100 -0.120 0.000 0.786 656 G HN 0.335 nan 8.290 nan 0.000 0.533 657 L N 1.245 122.025 121.223 -0.739 0.000 1.990 657 L HA -0.118 4.215 4.340 -0.012 0.000 0.213 657 L C 2.908 179.696 176.870 -0.136 0.000 1.072 657 L CA 1.716 56.219 54.840 -0.561 0.000 0.755 657 L CB -0.770 40.983 42.059 -0.511 0.000 0.889 657 L HN 0.090 nan 8.230 nan 0.000 0.432 658 V N -0.045 119.808 119.914 -0.102 0.000 2.380 658 V HA -0.340 3.773 4.120 -0.012 0.000 0.251 658 V C 2.136 178.224 176.094 -0.011 0.000 1.063 658 V CA 2.121 64.403 62.300 -0.030 0.000 1.055 658 V CB -0.995 30.818 31.823 -0.017 0.000 0.657 658 V HN 0.483 nan 8.190 nan 0.000 0.455 659 D N -0.632 119.773 120.400 0.008 0.000 2.264 659 D HA -0.083 4.550 4.640 -0.012 0.000 0.208 659 D C 1.922 178.252 176.300 0.049 0.000 0.966 659 D CA 0.672 54.693 54.000 0.034 0.000 0.864 659 D CB 0.007 40.857 40.800 0.083 0.000 0.933 659 D HN 0.369 nan 8.370 nan 0.000 0.499 660 L N 0.174 121.435 121.223 0.063 0.000 2.084 660 L HA -0.073 4.260 4.340 -0.012 0.000 0.202 660 L C 1.694 178.465 176.870 -0.165 0.000 1.074 660 L CA 0.560 55.368 54.840 -0.052 0.000 0.757 660 L CB 0.013 42.095 42.059 0.038 0.000 0.918 660 L HN -0.022 nan 8.230 nan 0.000 0.444 661 I N 0.442 120.952 120.570 -0.100 0.000 2.264 661 I HA -0.297 3.866 4.170 -0.012 0.000 0.248 661 I C 2.246 178.328 176.117 -0.058 0.000 1.111 661 I CA 1.212 62.457 61.300 -0.091 0.000 1.382 661 I CB -1.884 36.157 38.000 0.068 0.000 1.060 661 I HN 0.408 nan 8.210 nan 0.000 0.418 662 N N 1.103 119.781 118.700 -0.036 0.000 2.039 662 N HA -0.118 4.615 4.740 -0.012 0.000 0.193 662 N C 1.528 177.013 175.510 -0.041 0.000 1.044 662 N CA 2.105 55.144 53.050 -0.018 0.000 0.847 662 N CB -0.308 38.168 38.487 -0.018 0.000 1.030 662 N HN 0.497 nan 8.380 nan 0.000 0.422 663 T N -2.729 111.779 114.554 -0.076 0.000 3.332 663 T HA 0.222 4.565 4.350 -0.012 0.000 0.246 663 T C 0.894 175.509 174.700 -0.141 0.000 0.943 663 T CA 0.242 62.292 62.100 -0.083 0.000 0.922 663 T CB 0.318 69.145 68.868 -0.068 0.000 1.086 663 T HN 0.026 nan 8.240 nan 0.000 0.590 664 T N -1.492 112.944 114.554 -0.197 0.000 3.265 664 T HA 0.295 4.637 4.350 -0.012 0.000 0.263 664 T C 0.299 174.872 174.700 -0.212 0.000 0.862 664 T CA -0.179 61.726 62.100 -0.324 0.000 0.900 664 T CB 0.154 68.651 68.868 -0.617 0.000 1.260 664 T HN 0.507 nan 8.240 nan 0.000 0.547 665 Y N 0.087 120.376 120.300 -0.018 0.000 2.769 665 Y HA 0.497 5.040 4.550 -0.012 0.000 0.266 665 Y C 1.289 177.192 175.900 0.005 0.000 1.091 665 Y CA -0.627 57.469 58.100 -0.007 0.000 1.272 665 Y CB 0.724 39.181 38.460 -0.005 0.000 1.469 665 Y HN 0.035 nan 8.280 nan 0.000 0.475 666 L N -0.102 121.223 121.223 0.170 0.000 2.718 666 L HA 0.293 4.626 4.340 -0.012 0.000 0.166 666 L C -0.547 176.359 176.870 0.060 0.000 1.893 666 L CA -0.565 54.336 54.840 0.103 0.000 2.845 666 L CB 0.057 42.169 42.059 0.088 0.000 2.993 666 L HN 0.007 nan 8.230 nan 0.000 0.684 667 D N -0.904 119.521 120.400 0.042 0.000 2.527 667 D HA 0.087 4.719 4.640 -0.012 0.000 0.233 667 D C 0.309 176.615 176.300 0.011 0.000 1.063 667 D CA -0.369 53.647 54.000 0.027 0.000 0.880 667 D CB 2.369 43.189 40.800 0.032 0.000 1.457 667 D HN 0.487 nan 8.370 nan 0.000 0.475 668 E N 1.381 121.582 120.200 0.001 0.000 2.301 668 E HA -0.248 4.095 4.350 -0.012 0.000 0.224 668 E C 0.474 177.066 176.600 -0.014 0.000 1.092 668 E CA 1.738 58.130 56.400 -0.013 0.000 0.913 668 E CB -0.006 29.688 29.700 -0.011 0.000 0.776 668 E HN 0.526 nan 8.360 nan 0.000 0.465 669 G N -1.529 107.270 108.800 -0.003 0.000 4.713 669 G HA2 0.608 4.560 3.960 -0.012 0.000 0.318 669 G HA3 0.608 4.560 3.960 -0.012 0.000 0.318 669 G C -0.239 174.666 174.900 0.008 0.000 1.435 669 G CA 0.172 45.271 45.100 -0.002 0.000 0.965 669 G HN 0.314 nan 8.290 nan 0.000 0.542 670 A N 1.539 124.366 122.820 0.013 0.000 2.121 670 A HA 0.664 4.976 4.320 -0.012 0.000 0.215 670 A C 0.621 178.219 177.584 0.023 0.000 1.861 670 A CA 0.092 52.142 52.037 0.022 0.000 0.850 670 A CB -0.462 18.558 19.000 0.033 0.000 1.346 670 A HN 0.629 nan 8.150 nan 0.000 0.597 671 L N 1.589 122.828 121.223 0.027 0.000 2.461 671 L HA 0.287 4.620 4.340 -0.012 0.000 0.272 671 L C -0.424 176.458 176.870 0.020 0.000 1.197 671 L CA 0.331 55.188 54.840 0.029 0.000 0.836 671 L CB 0.244 42.324 42.059 0.035 0.000 1.105 671 L HN 0.455 nan 8.230 nan 0.000 0.477 672 E N 3.533 123.748 120.200 0.025 0.000 2.277 672 E HA 0.227 4.570 4.350 -0.012 0.000 0.266 672 E C 0.235 176.856 176.600 0.035 0.000 0.901 672 E CA -0.740 55.673 56.400 0.021 0.000 0.782 672 E CB 1.629 31.340 29.700 0.019 0.000 1.228 672 E HN 0.519 nan 8.360 nan 0.000 0.424 673 K N 0.515 120.932 120.400 0.029 0.000 2.044 673 K HA -0.162 4.151 4.320 -0.012 0.000 0.210 673 K C 1.964 178.627 176.600 0.105 0.000 1.049 673 K CA 1.754 58.074 56.287 0.055 0.000 0.927 673 K CB -0.136 32.374 32.500 0.018 0.000 0.713 673 K HN 0.264 nan 8.250 nan 0.000 0.443 674 S N 1.720 117.459 115.700 0.066 0.000 2.365 674 S HA -0.185 4.278 4.470 -0.012 0.000 0.225 674 S C 1.443 176.119 174.600 0.127 0.000 1.039 674 S CA 1.707 59.963 58.200 0.093 0.000 1.033 674 S CB -0.450 62.773 63.200 0.040 0.000 0.887 674 S HN 0.297 nan 8.310 nan 0.000 0.447 675 D N 0.780 121.233 120.400 0.087 0.000 2.265 675 D HA -0.038 4.595 4.640 -0.012 0.000 0.208 675 D C 1.602 177.955 176.300 0.088 0.000 0.977 675 D CA 0.945 54.990 54.000 0.077 0.000 0.871 675 D CB -0.100 40.734 40.800 0.055 0.000 0.925 675 D HN 0.447 nan 8.370 nan 0.000 0.485 676 I N -0.788 119.851 120.570 0.115 0.000 3.445 676 I HA -0.005 4.157 4.170 -0.012 0.000 0.288 676 I C 0.650 176.854 176.117 0.146 0.000 1.198 676 I CA -0.374 60.992 61.300 0.110 0.000 1.417 676 I CB 0.195 38.251 38.000 0.093 0.000 1.205 676 I HN -0.223 nan 8.210 nan 0.000 0.448 677 F N 3.426 123.409 119.950 0.055 0.000 2.433 677 F HA 0.137 4.657 4.527 -0.012 0.000 0.398 677 F C 1.187 177.026 175.800 0.064 0.000 1.002 677 F CA 1.132 59.170 58.000 0.064 0.000 1.053 677 F CB -0.289 38.738 39.000 0.044 0.000 0.928 677 F HN 0.297 nan 8.300 nan 0.000 0.529 678 G N 3.805 112.322 108.800 -0.473 0.000 2.339 678 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.209 678 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.209 678 G C 0.062 174.893 174.900 -0.115 0.000 1.015 678 G CA -0.263 44.617 45.100 -0.366 0.000 0.635 678 G HN 0.506 nan 8.290 nan 0.000 0.499 679 K N 1.697 122.081 120.400 -0.027 0.000 2.185 679 K HA 0.625 4.938 4.320 -0.012 0.000 0.271 679 K C 0.281 176.921 176.600 0.066 0.000 1.013 679 K CA -0.442 55.857 56.287 0.020 0.000 0.943 679 K CB 1.403 33.920 32.500 0.029 0.000 0.998 679 K HN 0.372 nan 8.250 nan 0.000 0.468 680 E N 1.974 122.217 120.200 0.072 0.000 2.391 680 E HA 0.083 4.426 4.350 -0.012 0.000 0.255 680 E C -1.567 175.072 176.600 0.065 0.000 1.187 680 E CA -1.664 54.806 56.400 0.116 0.000 0.941 680 E CB 0.106 29.863 29.700 0.094 0.000 1.010 680 E HN 0.234 nan 8.360 nan 0.000 0.458 681 P HA -0.175 nan 4.420 nan 0.000 0.217 681 P C -0.005 177.289 177.300 -0.010 0.000 1.151 681 P CA 1.348 64.424 63.100 -0.040 0.000 0.849 681 P CB 0.222 31.885 31.700 -0.062 0.000 0.787 682 D N -0.603 119.805 120.400 0.014 0.000 2.087 682 D HA -0.169 4.464 4.640 -0.012 0.000 0.192 682 D C 1.946 178.252 176.300 0.011 0.000 0.993 682 D CA 1.152 55.159 54.000 0.012 0.000 0.828 682 D CB -0.825 39.987 40.800 0.020 0.000 0.968 682 D HN 0.274 nan 8.370 nan 0.000 0.448 683 E N -0.051 120.160 120.200 0.018 0.000 2.058 683 E HA -0.165 4.178 4.350 -0.012 0.000 0.194 683 E C 2.271 178.881 176.600 0.016 0.000 0.997 683 E CA 0.816 57.227 56.400 0.019 0.000 0.801 683 E CB -0.149 29.566 29.700 0.024 0.000 0.746 683 E HN 0.325 nan 8.360 nan 0.000 0.450 684 M N 0.286 119.894 119.600 0.013 0.000 2.082 684 M HA -0.229 4.244 4.480 -0.012 0.000 0.258 684 M C 2.531 178.836 176.300 0.008 0.000 1.071 684 M CA 1.245 56.551 55.300 0.010 0.000 1.103 684 M CB -0.560 32.035 32.600 -0.009 0.000 1.307 684 M HN 0.138 nan 8.290 nan 0.000 0.409 685 L N 0.712 121.934 121.223 -0.001 0.000 2.051 685 L HA -0.237 4.096 4.340 -0.012 0.000 0.214 685 L C 2.124 178.992 176.870 -0.002 0.000 1.076 685 L CA 2.080 56.919 54.840 -0.002 0.000 0.758 685 L CB -0.753 41.301 42.059 -0.009 0.000 0.890 685 L HN 0.236 nan 8.230 nan 0.000 0.433 686 E N -0.742 119.459 120.200 0.002 0.000 2.072 686 E HA -0.185 4.158 4.350 -0.012 0.000 0.191 686 E C 2.206 178.811 176.600 0.008 0.000 0.985 686 E CA 1.386 57.788 56.400 0.003 0.000 0.801 686 E CB -0.367 29.338 29.700 0.007 0.000 0.750 686 E HN 0.553 nan 8.360 nan 0.000 0.452 687 L N -0.087 121.145 121.223 0.015 0.000 1.961 687 L HA -0.192 4.141 4.340 -0.012 0.000 0.210 687 L C 2.050 178.934 176.870 0.024 0.000 1.072 687 L CA 1.381 56.234 54.840 0.022 0.000 0.749 687 L CB -0.251 41.825 42.059 0.028 0.000 0.889 687 L HN 0.189 nan 8.230 nan 0.000 0.432 688 I N -0.559 120.028 120.570 0.028 0.000 2.315 688 I HA -0.366 3.797 4.170 -0.012 0.000 0.251 688 I C 2.413 178.542 176.117 0.020 0.000 1.125 688 I CA 1.616 62.939 61.300 0.038 0.000 1.392 688 I CB -0.289 37.745 38.000 0.057 0.000 1.065 688 I HN 0.409 nan 8.210 nan 0.000 0.424 689 M N 0.197 119.795 119.600 -0.002 0.000 2.156 689 M HA -0.168 4.305 4.480 -0.012 0.000 0.264 689 M C 1.783 178.082 176.300 -0.003 0.000 1.067 689 M CA 1.766 57.050 55.300 -0.026 0.000 1.131 689 M CB -0.382 32.197 32.600 -0.036 0.000 1.368 689 M HN 0.117 nan 8.290 nan 0.000 0.416 690 D N -0.247 120.160 120.400 0.011 0.000 2.228 690 D HA -0.189 4.443 4.640 -0.012 0.000 0.203 690 D C 1.918 178.237 176.300 0.031 0.000 0.988 690 D CA 1.074 55.087 54.000 0.022 0.000 0.864 690 D CB -0.195 40.618 40.800 0.022 0.000 0.928 690 D HN 0.469 nan 8.370 nan 0.000 0.469 691 R N -0.189 120.331 120.500 0.033 0.000 2.223 691 R HA 0.179 4.512 4.340 -0.012 0.000 0.198 691 R C 2.412 178.742 176.300 0.051 0.000 0.984 691 R CA -0.073 56.053 56.100 0.043 0.000 1.018 691 R CB 0.294 30.622 30.300 0.045 0.000 0.945 691 R HN 0.217 nan 8.270 nan 0.000 0.479 692 I N 1.374 121.965 120.570 0.035 0.000 2.353 692 I HA -0.230 3.932 4.170 -0.012 0.000 0.248 692 I C 2.385 178.542 176.117 0.067 0.000 1.119 692 I CA 1.197 62.513 61.300 0.026 0.000 1.417 692 I CB -0.122 37.843 38.000 -0.059 0.000 1.078 692 I HN 0.125 nan 8.210 nan 0.000 0.421 693 I N -2.076 118.534 120.570 0.067 0.000 2.193 693 I HA -0.199 3.964 4.170 -0.012 0.000 0.240 693 I C 2.563 178.765 176.117 0.141 0.000 1.084 693 I CA 1.573 62.955 61.300 0.136 0.000 1.365 693 I CB -1.255 36.802 38.000 0.096 0.000 1.064 693 I HN -0.014 nan 8.210 nan 0.000 0.410 694 T N 0.809 115.412 114.554 0.082 0.000 2.869 694 T HA -0.234 4.109 4.350 -0.012 0.000 0.270 694 T C 1.814 176.551 174.700 0.062 0.000 1.082 694 T CA 2.239 64.374 62.100 0.059 0.000 1.123 694 T CB -0.327 68.567 68.868 0.043 0.000 0.856 694 T HN 0.549 nan 8.240 nan 0.000 0.499 695 K N -0.976 119.476 120.400 0.087 0.000 2.099 695 K HA 0.004 4.317 4.320 -0.012 0.000 0.203 695 K C 2.072 178.745 176.600 0.123 0.000 1.047 695 K CA 0.660 57.000 56.287 0.090 0.000 0.963 695 K CB -0.565 31.991 32.500 0.093 0.000 0.759 695 K HN 0.501 nan 8.250 nan 0.000 0.451 696 Y N 1.835 122.145 120.300 0.017 0.000 2.241 696 Y HA -0.310 4.233 4.550 -0.012 0.000 0.286 696 Y C 1.501 177.415 175.900 0.024 0.000 1.166 696 Y CA 1.613 59.724 58.100 0.018 0.000 1.203 696 Y CB -0.046 38.420 38.460 0.010 0.000 0.977 696 Y HN 0.256 nan 8.280 nan 0.000 0.529 697 N N 0.827 119.469 118.700 -0.097 0.000 2.120 697 N HA -0.198 4.535 4.740 -0.012 0.000 0.188 697 N C 1.507 176.940 175.510 -0.129 0.000 1.024 697 N CA 1.855 54.798 53.050 -0.178 0.000 0.852 697 N CB -0.510 37.940 38.487 -0.062 0.000 1.003 697 N HN 0.562 nan 8.380 nan 0.000 0.424 698 E N 0.859 121.033 120.200 -0.042 0.000 2.219 698 E HA -0.164 4.179 4.350 -0.012 0.000 0.198 698 E C 1.698 178.308 176.600 0.018 0.000 0.998 698 E CA 1.019 57.420 56.400 0.001 0.000 0.818 698 E CB 0.047 29.770 29.700 0.039 0.000 0.741 698 E HN 0.476 nan 8.360 nan 0.000 0.477 699 K N 0.621 120.998 120.400 -0.039 0.000 2.062 699 K HA -0.108 4.205 4.320 -0.012 0.000 0.205 699 K C 1.991 178.565 176.600 -0.044 0.000 1.051 699 K CA 1.041 57.305 56.287 -0.039 0.000 0.941 699 K CB -0.055 32.399 32.500 -0.076 0.000 0.719 699 K HN 0.127 nan 8.250 nan 0.000 0.440 700 E N 0.897 121.001 120.200 -0.159 0.000 2.106 700 E HA -0.193 4.149 4.350 -0.012 0.000 0.192 700 E C 1.992 178.563 176.600 -0.049 0.000 0.984 700 E CA 0.972 57.299 56.400 -0.122 0.000 0.806 700 E CB 0.122 29.704 29.700 -0.198 0.000 0.750 700 E HN 0.231 nan 8.360 nan 0.000 0.458 701 E N 0.733 120.908 120.200 -0.043 0.000 2.076 701 E HA -0.156 4.187 4.350 -0.012 0.000 0.190 701 E C 1.886 178.487 176.600 0.002 0.000 0.979 701 E CA 1.074 57.461 56.400 -0.021 0.000 0.807 701 E CB 0.156 29.842 29.700 -0.023 0.000 0.761 701 E HN 0.042 nan 8.360 nan 0.000 0.454 702 Q N -0.848 118.986 119.800 0.056 0.000 1.864 702 Q HA 0.027 4.360 4.340 -0.012 0.000 0.219 702 Q C 1.739 177.745 176.000 0.012 0.000 0.975 702 Q CA 1.768 57.603 55.803 0.053 0.000 0.862 702 Q CB -0.410 28.454 28.738 0.211 0.000 0.913 702 Q HN 0.296 nan 8.270 nan 0.000 0.431 703 F N -0.797 119.093 119.950 -0.101 0.000 2.365 703 F HA 0.241 4.761 4.527 -0.012 0.000 0.300 703 F C 0.945 176.688 175.800 -0.095 0.000 1.090 703 F CA 1.027 58.958 58.000 -0.116 0.000 1.408 703 F CB -0.047 38.842 39.000 -0.185 0.000 1.060 703 F HN 0.160 nan 8.300 nan 0.000 0.534 704 G N -0.066 108.790 108.800 0.093 0.000 2.387 704 G HA2 0.221 4.174 3.960 -0.012 0.000 0.309 704 G HA3 0.221 4.174 3.960 -0.012 0.000 0.309 704 G C 0.283 175.194 174.900 0.019 0.000 1.641 704 G CA -0.625 44.500 45.100 0.041 0.000 0.904 704 G HN -0.099 nan 8.290 nan 0.000 0.661 705 K N 0.913 121.316 120.400 0.006 0.000 2.103 705 K HA 0.006 4.318 4.320 -0.012 0.000 0.204 705 K C 1.134 177.736 176.600 0.005 0.000 1.052 705 K CA 1.796 58.080 56.287 -0.006 0.000 0.945 705 K CB 0.433 32.928 32.500 -0.008 0.000 0.722 705 K HN 0.619 nan 8.250 nan 0.000 0.443 706 E N -0.080 120.131 120.200 0.020 0.000 2.606 706 E HA 0.024 4.367 4.350 -0.012 0.000 0.224 706 E C 1.703 178.334 176.600 0.052 0.000 0.930 706 E CA -0.164 56.255 56.400 0.031 0.000 1.125 706 E CB 0.483 30.197 29.700 0.023 0.000 1.123 706 E HN 0.323 nan 8.360 nan 0.000 0.522 707 Q N 0.379 120.212 119.800 0.055 0.000 2.436 707 Q HA -0.103 4.230 4.340 -0.012 0.000 0.209 707 Q C 1.876 177.949 176.000 0.122 0.000 0.965 707 Q CA 0.642 56.492 55.803 0.078 0.000 0.910 707 Q CB 0.125 28.902 28.738 0.065 0.000 0.980 707 Q HN 0.304 nan 8.270 nan 0.000 0.491 708 M N 0.468 120.136 119.600 0.113 0.000 2.059 708 M HA -0.196 4.277 4.480 -0.012 0.000 0.259 708 M C 1.858 178.292 176.300 0.224 0.000 1.072 708 M CA 1.719 57.126 55.300 0.178 0.000 1.117 708 M CB -0.075 32.591 32.600 0.111 0.000 1.320 708 M HN 0.050 nan 8.290 nan 0.000 0.408 709 R N -0.279 120.304 120.500 0.138 0.000 2.143 709 R HA -0.253 4.080 4.340 -0.012 0.000 0.239 709 R C 2.207 178.565 176.300 0.096 0.000 1.126 709 R CA 2.130 58.290 56.100 0.100 0.000 0.927 709 R CB -1.075 29.263 30.300 0.063 0.000 0.860 709 R HN 0.424 nan 8.270 nan 0.000 0.433 710 E N 0.311 120.576 120.200 0.109 0.000 2.267 710 E HA -0.185 4.157 4.350 -0.012 0.000 0.197 710 E C 1.446 178.129 176.600 0.140 0.000 0.998 710 E CA 0.936 57.399 56.400 0.105 0.000 0.830 710 E CB -0.211 29.558 29.700 0.116 0.000 0.751 710 E HN 0.293 nan 8.360 nan 0.000 0.491 711 F N 0.677 120.645 119.950 0.029 0.000 2.234 711 F HA 0.098 4.618 4.527 -0.012 0.000 0.296 711 F C 1.790 177.599 175.800 0.016 0.000 1.089 711 F CA 1.218 59.235 58.000 0.028 0.000 1.343 711 F CB -0.022 39.000 39.000 0.036 0.000 1.040 711 F HN 0.004 nan 8.300 nan 0.000 0.498 712 E N 0.448 120.605 120.200 -0.072 0.000 2.015 712 E HA -0.182 4.160 4.350 -0.012 0.000 0.191 712 E C 2.122 178.608 176.600 -0.191 0.000 0.991 712 E CA 1.257 57.556 56.400 -0.169 0.000 0.802 712 E CB -0.186 29.504 29.700 -0.016 0.000 0.759 712 E HN 0.290 nan 8.360 nan 0.000 0.447 713 K N 0.670 121.001 120.400 -0.115 0.000 2.127 713 K HA -0.203 4.110 4.320 -0.012 0.000 0.208 713 K C 2.384 178.880 176.600 -0.174 0.000 1.047 713 K CA 1.829 58.038 56.287 -0.131 0.000 0.927 713 K CB -0.504 31.939 32.500 -0.096 0.000 0.716 713 K HN 0.202 nan 8.250 nan 0.000 0.450 714 V N 0.205 120.010 119.914 -0.182 0.000 2.323 714 V HA -0.195 3.918 4.120 -0.012 0.000 0.244 714 V C 2.283 178.227 176.094 -0.250 0.000 1.041 714 V CA 1.489 63.673 62.300 -0.192 0.000 1.025 714 V CB -0.929 30.811 31.823 -0.139 0.000 0.656 714 V HN 0.277 nan 8.190 nan 0.000 0.451 715 I N 0.016 120.384 120.570 -0.336 0.000 2.439 715 I HA -0.011 4.152 4.170 -0.012 0.000 0.251 715 I C 2.167 178.083 176.117 -0.336 0.000 1.139 715 I CA 1.507 62.566 61.300 -0.403 0.000 1.438 715 I CB -1.135 36.572 38.000 -0.488 0.000 1.085 715 I HN 0.083 nan 8.210 nan 0.000 0.427 716 V N 0.716 120.472 119.914 -0.263 0.000 3.041 716 V HA -0.012 4.101 4.120 -0.012 0.000 0.260 716 V C 2.295 178.276 176.094 -0.188 0.000 1.105 716 V CA 1.302 63.478 62.300 -0.208 0.000 1.125 716 V CB -0.417 31.304 31.823 -0.169 0.000 0.730 716 V HN 0.478 nan 8.190 nan 0.000 0.479 717 L N -1.161 119.945 121.223 -0.195 0.000 2.286 717 L HA 0.139 4.472 4.340 -0.012 0.000 0.203 717 L C 2.435 179.208 176.870 -0.162 0.000 1.068 717 L CA 0.515 55.253 54.840 -0.169 0.000 0.811 717 L CB -0.363 41.588 42.059 -0.181 0.000 0.989 717 L HN 0.063 nan 8.230 nan 0.000 0.467 718 R N 0.306 120.689 120.500 -0.195 0.000 2.339 718 R HA 0.040 4.372 4.340 -0.012 0.000 0.199 718 R C 1.419 177.576 176.300 -0.239 0.000 1.018 718 R CA 0.835 56.819 56.100 -0.193 0.000 1.036 718 R CB -0.030 30.145 30.300 -0.208 0.000 0.899 718 R HN 0.334 nan 8.270 nan 0.000 0.473 719 A N -0.122 122.554 122.820 -0.241 0.000 2.051 719 A HA 0.032 4.345 4.320 -0.012 0.000 0.218 719 A C 2.066 179.564 177.584 -0.143 0.000 1.575 719 A CA 0.030 51.919 52.037 -0.246 0.000 0.700 719 A CB -0.557 18.290 19.000 -0.256 0.000 1.245 719 A HN 0.009 nan 8.150 nan 0.000 0.536 720 V N 1.428 121.271 119.914 -0.118 0.000 2.370 720 V HA -0.312 3.801 4.120 -0.012 0.000 0.252 720 V C 2.112 178.222 176.094 0.027 0.000 1.068 720 V CA 2.677 64.940 62.300 -0.061 0.000 1.061 720 V CB -0.862 30.902 31.823 -0.097 0.000 0.656 720 V HN 0.524 nan 8.190 nan 0.000 0.455 721 D N -0.684 119.718 120.400 0.003 0.000 2.120 721 D HA -0.056 4.576 4.640 -0.012 0.000 0.202 721 D C 2.480 178.844 176.300 0.107 0.000 0.972 721 D CA 1.377 55.428 54.000 0.086 0.000 0.837 721 D CB -0.255 40.558 40.800 0.021 0.000 0.989 721 D HN 0.316 nan 8.370 nan 0.000 0.469 722 S N 0.448 116.153 115.700 0.008 0.000 2.374 722 S HA -0.164 4.299 4.470 -0.012 0.000 0.227 722 S C 1.802 176.439 174.600 0.061 0.000 1.037 722 S CA 1.165 59.365 58.200 0.000 0.000 1.024 722 S CB -0.003 63.106 63.200 -0.151 0.000 0.861 722 S HN 0.189 nan 8.310 nan 0.000 0.456 723 K N 0.447 120.882 120.400 0.059 0.000 2.007 723 K HA -0.030 4.282 4.320 -0.012 0.000 0.206 723 K C 1.780 178.505 176.600 0.207 0.000 1.047 723 K CA 0.711 57.066 56.287 0.114 0.000 0.937 723 K CB -0.950 31.592 32.500 0.069 0.000 0.718 723 K HN 0.548 nan 8.250 nan 0.000 0.438 724 W N 2.295 123.620 121.300 0.043 0.000 2.290 724 W HA -0.300 4.354 4.660 -0.011 0.000 0.328 724 W C 1.737 178.341 176.519 0.142 0.000 1.272 724 W CA 1.636 59.041 57.345 0.099 0.000 1.262 724 W CB -0.094 29.424 29.460 0.096 0.000 1.151 724 W HN 0.003 nan 8.180 nan 0.000 0.473 725 M N 0.218 119.878 119.600 0.100 0.000 2.106 725 M HA -0.239 4.234 4.480 -0.012 0.000 0.259 725 M C 1.609 177.877 176.300 -0.054 0.000 1.068 725 M CA 2.394 57.678 55.300 -0.025 0.000 1.100 725 M CB -1.983 30.660 32.600 0.072 0.000 1.351 725 M HN 0.088 nan 8.290 nan 0.000 0.404 726 D N -0.551 119.862 120.400 0.023 0.000 2.084 726 D HA -0.222 4.411 4.640 -0.012 0.000 0.194 726 D C 1.979 178.260 176.300 -0.031 0.000 0.990 726 D CA 1.694 55.708 54.000 0.023 0.000 0.826 726 D CB -0.058 40.794 40.800 0.086 0.000 0.971 726 D HN 0.492 nan 8.370 nan 0.000 0.453 727 H N -0.901 118.102 119.070 -0.112 0.000 2.353 727 H HA -0.084 4.465 4.556 -0.012 0.000 0.300 727 H C 1.959 177.120 175.328 -0.279 0.000 1.090 727 H CA 1.519 57.474 56.048 -0.156 0.000 1.327 727 H CB -0.226 29.473 29.762 -0.105 0.000 1.383 727 H HN 0.179 nan 8.280 nan 0.000 0.508 728 I N 0.595 120.939 120.570 -0.376 0.000 2.335 728 I HA -0.211 3.952 4.170 -0.012 0.000 0.251 728 I C 1.900 177.864 176.117 -0.255 0.000 1.129 728 I CA 1.800 62.843 61.300 -0.429 0.000 1.402 728 I CB -0.390 37.266 38.000 -0.574 0.000 1.069 728 I HN 0.442 nan 8.210 nan 0.000 0.424 729 D N -0.217 120.064 120.400 -0.198 0.000 2.123 729 D HA -0.099 4.534 4.640 -0.012 0.000 0.200 729 D C 2.258 178.459 176.300 -0.165 0.000 0.976 729 D CA 1.226 55.144 54.000 -0.137 0.000 0.831 729 D CB -0.044 40.703 40.800 -0.089 0.000 0.974 729 D HN 0.314 nan 8.370 nan 0.000 0.469 730 A N 0.388 123.077 122.820 -0.219 0.000 1.908 730 A HA -0.192 4.121 4.320 -0.012 0.000 0.218 730 A C 2.191 179.628 177.584 -0.245 0.000 1.181 730 A CA 1.628 53.518 52.037 -0.244 0.000 0.627 730 A CB -0.544 18.278 19.000 -0.297 0.000 0.818 730 A HN 0.260 nan 8.150 nan 0.000 0.445 731 M N -0.704 118.711 119.600 -0.308 0.000 2.077 731 M HA -0.107 4.365 4.480 -0.012 0.000 0.261 731 M C 1.513 177.801 176.300 -0.020 0.000 1.070 731 M CA 1.655 56.852 55.300 -0.171 0.000 1.125 731 M CB -1.631 30.856 32.600 -0.188 0.000 1.339 731 M HN 0.456 nan 8.290 nan 0.000 0.409 732 D N 0.295 120.649 120.400 -0.076 0.000 2.379 732 D HA -0.103 4.530 4.640 -0.012 0.000 0.243 732 D C 1.802 178.047 176.300 -0.092 0.000 1.088 732 D CA 0.482 54.437 54.000 -0.075 0.000 0.925 732 D CB 0.347 41.102 40.800 -0.074 0.000 0.888 732 D HN 0.298 nan 8.370 nan 0.000 0.529 733 Q N -0.654 119.090 119.800 -0.093 0.000 2.652 733 Q HA 0.040 4.373 4.340 -0.012 0.000 0.211 733 Q C 2.092 178.037 176.000 -0.092 0.000 0.858 733 Q CA 0.064 55.807 55.803 -0.100 0.000 0.895 733 Q CB -0.224 28.442 28.738 -0.119 0.000 1.194 733 Q HN 0.407 nan 8.270 nan 0.000 0.645 734 L N 0.401 121.578 121.223 -0.076 0.000 2.353 734 L HA 0.006 4.339 4.340 -0.012 0.000 0.220 734 L C 2.369 179.221 176.870 -0.030 0.000 1.133 734 L CA 1.528 56.339 54.840 -0.048 0.000 0.798 734 L CB -0.433 41.600 42.059 -0.043 0.000 0.922 734 L HN 0.094 nan 8.230 nan 0.000 0.445 735 R N 0.016 120.483 120.500 -0.056 0.000 2.091 735 R HA -0.169 4.164 4.340 -0.012 0.000 0.238 735 R C 2.263 178.320 176.300 -0.405 0.000 1.136 735 R CA 2.203 58.098 56.100 -0.342 0.000 0.959 735 R CB -0.247 29.716 30.300 -0.562 0.000 0.856 735 R HN 0.635 nan 8.270 nan 0.000 0.437 736 Q N -1.103 118.546 119.800 -0.253 0.000 2.245 736 Q HA 0.016 4.349 4.340 -0.012 0.000 0.201 736 Q C 2.014 177.977 176.000 -0.063 0.000 0.955 736 Q CA 0.910 56.617 55.803 -0.160 0.000 0.870 736 Q CB 0.139 28.820 28.738 -0.095 0.000 0.945 736 Q HN 0.521 nan 8.270 nan 0.000 0.461 737 G N 1.969 110.729 108.800 -0.067 0.000 2.453 737 G HA2 -0.285 3.667 3.960 -0.012 0.000 0.215 737 G HA3 -0.285 3.667 3.960 -0.012 0.000 0.215 737 G C 1.426 176.325 174.900 -0.001 0.000 1.201 737 G CA 0.823 45.905 45.100 -0.029 0.000 0.784 737 G HN 0.328 nan 8.290 nan 0.000 0.545 738 I N 0.413 120.974 120.570 -0.014 0.000 2.185 738 I HA -0.255 3.908 4.170 -0.012 0.000 0.246 738 I C 2.266 178.423 176.117 0.068 0.000 1.088 738 I CA 1.945 63.255 61.300 0.016 0.000 1.347 738 I CB -0.894 37.113 38.000 0.012 0.000 1.041 738 I HN 0.437 nan 8.210 nan 0.000 0.415 739 H N -0.960 118.080 119.070 -0.049 0.000 2.472 739 H HA -0.224 4.325 4.556 -0.010 0.000 0.296 739 H C 1.595 176.913 175.328 -0.016 0.000 1.120 739 H CA 1.538 57.560 56.048 -0.044 0.000 1.250 739 H CB 0.139 29.853 29.762 -0.079 0.000 1.366 739 H HN 0.336 nan 8.280 nan 0.000 0.524 740 L N -0.520 120.768 121.223 0.108 0.000 2.415 740 L HA 0.060 4.393 4.340 -0.012 0.000 0.194 740 L C 0.919 177.828 176.870 0.065 0.000 1.256 740 L CA 0.035 54.909 54.840 0.056 0.000 1.974 740 L CB -0.370 41.711 42.059 0.037 0.000 1.753 740 L HN -0.030 nan 8.230 nan 0.000 0.948 741 R N 1.424 121.961 120.500 0.062 0.000 2.543 741 R HA 0.342 4.675 4.340 -0.012 0.000 0.348 741 R C -1.127 175.221 176.300 0.080 0.000 0.981 741 R CA 0.621 56.771 56.100 0.083 0.000 1.019 741 R CB -0.674 29.670 30.300 0.074 0.000 0.944 741 R HN 0.402 nan 8.270 nan 0.000 0.425 742 A N 5.421 128.305 122.820 0.107 0.000 2.770 742 A HA 0.195 4.507 4.320 -0.012 0.000 0.295 742 A C -1.063 176.588 177.584 0.113 0.000 1.256 742 A CA -0.549 51.531 52.037 0.072 0.000 0.870 742 A CB -0.280 18.762 19.000 0.070 0.000 1.451 742 A HN 0.808 nan 8.150 nan 0.000 0.505 743 Y N 0.019 120.336 120.300 0.028 0.000 2.636 743 Y HA 0.724 5.273 4.550 -0.002 0.000 0.260 743 Y C 0.566 176.482 175.900 0.026 0.000 1.177 743 Y CA -0.461 57.654 58.100 0.024 0.000 1.209 743 Y CB -0.471 38.000 38.460 0.018 0.000 1.166 743 Y HN 0.684 nan 8.280 nan 0.000 0.531 744 A N 1.966 124.638 122.820 -0.246 0.000 2.429 744 A HA 0.090 4.403 4.320 -0.012 0.000 0.242 744 A C 1.676 179.219 177.584 -0.068 0.000 1.088 744 A CA 0.199 52.105 52.037 -0.219 0.000 0.784 744 A CB 0.397 19.314 19.000 -0.140 0.000 1.038 744 A HN 0.636 nan 8.150 nan 0.000 0.501 745 Q N 0.625 120.398 119.800 -0.044 0.000 2.135 745 Q HA -0.097 4.236 4.340 -0.012 0.000 0.204 745 Q C 0.382 176.384 176.000 0.004 0.000 0.981 745 Q CA 1.965 57.768 55.803 0.000 0.000 0.856 745 Q CB -1.362 27.380 28.738 0.007 0.000 0.902 745 Q HN 0.664 nan 8.270 nan 0.000 0.425 746 T N 3.379 117.930 114.554 -0.005 0.000 2.816 746 T HA 0.221 4.564 4.350 -0.012 0.000 0.282 746 T C 0.402 175.108 174.700 0.010 0.000 0.993 746 T CA -0.388 61.712 62.100 0.001 0.000 0.994 746 T CB 0.628 69.495 68.868 -0.002 0.000 1.025 746 T HN 0.493 nan 8.240 nan 0.000 0.529 747 N N 1.757 120.464 118.700 0.011 0.000 2.483 747 N HA 0.125 4.857 4.740 -0.012 0.000 0.269 747 N C -1.942 173.595 175.510 0.043 0.000 1.209 747 N CA -1.866 51.198 53.050 0.024 0.000 0.969 747 N CB 0.875 39.365 38.487 0.006 0.000 1.173 747 N HN 0.198 nan 8.380 nan 0.000 0.475 748 P HA -0.189 nan 4.420 nan 0.000 0.216 748 P C 1.765 179.169 177.300 0.172 0.000 1.153 748 P CA 0.996 64.167 63.100 0.119 0.000 0.858 748 P CB 0.312 32.100 31.700 0.146 0.000 0.789 749 L N -0.825 120.467 121.223 0.115 0.000 2.081 749 L HA -0.201 4.131 4.340 -0.012 0.000 0.212 749 L C 2.974 179.874 176.870 0.051 0.000 1.080 749 L CA 1.622 56.441 54.840 -0.035 0.000 0.754 749 L CB -0.365 41.460 42.059 -0.390 0.000 0.893 749 L HN -0.139 nan 8.230 nan 0.000 0.433 750 R N 0.112 120.629 120.500 0.029 0.000 2.070 750 R HA -0.177 4.156 4.340 -0.012 0.000 0.233 750 R C 2.200 178.542 176.300 0.069 0.000 1.137 750 R CA 1.609 57.724 56.100 0.026 0.000 0.945 750 R CB -0.497 29.805 30.300 0.002 0.000 0.845 750 R HN 0.298 nan 8.270 nan 0.000 0.430 751 E N -0.465 119.785 120.200 0.084 0.000 2.097 751 E HA -0.250 4.092 4.350 -0.012 0.000 0.196 751 E C 1.797 178.473 176.600 0.126 0.000 1.000 751 E CA 1.397 57.846 56.400 0.082 0.000 0.804 751 E CB -0.566 29.177 29.700 0.072 0.000 0.740 751 E HN 0.382 nan 8.360 nan 0.000 0.454 752 Y N 2.110 122.447 120.300 0.062 0.000 2.053 752 Y HA -0.316 4.227 4.550 -0.012 0.000 0.277 752 Y C 2.441 178.381 175.900 0.067 0.000 1.159 752 Y CA 2.422 60.570 58.100 0.081 0.000 1.125 752 Y CB -0.456 38.134 38.460 0.216 0.000 0.969 752 Y HN 0.114 nan 8.280 nan 0.000 0.492 753 Q N -0.807 119.082 119.800 0.148 0.000 1.998 753 Q HA -0.295 4.038 4.340 -0.012 0.000 0.209 753 Q C 2.243 178.252 176.000 0.016 0.000 1.002 753 Q CA 2.064 57.888 55.803 0.035 0.000 0.858 753 Q CB -0.435 28.314 28.738 0.018 0.000 0.932 753 Q HN 0.466 nan 8.270 nan 0.000 0.416 754 M N 0.872 120.488 119.600 0.028 0.000 2.800 754 M HA -0.243 4.229 4.480 -0.012 0.000 0.271 754 M C 2.071 178.395 176.300 0.039 0.000 1.059 754 M CA 1.910 57.232 55.300 0.037 0.000 1.071 754 M CB -1.291 31.320 32.600 0.020 0.000 1.227 754 M HN 0.272 nan 8.290 nan 0.000 0.505 755 E N -0.189 120.009 120.200 -0.003 0.000 2.085 755 E HA -0.142 4.201 4.350 -0.012 0.000 0.194 755 E C 2.058 178.621 176.600 -0.062 0.000 0.994 755 E CA 1.096 57.474 56.400 -0.036 0.000 0.801 755 E CB -0.423 29.250 29.700 -0.046 0.000 0.743 755 E HN 0.706 nan 8.360 nan 0.000 0.453 756 G N 1.388 110.112 108.800 -0.127 0.000 2.545 756 G HA2 -0.324 3.629 3.960 -0.012 0.000 0.217 756 G HA3 -0.324 3.629 3.960 -0.012 0.000 0.217 756 G C 1.341 176.276 174.900 0.059 0.000 1.218 756 G CA 0.845 45.850 45.100 -0.157 0.000 0.787 756 G HN 0.276 nan 8.290 nan 0.000 0.571 757 F N 2.717 122.634 119.950 -0.055 0.000 2.184 757 F HA -0.089 4.430 4.527 -0.012 0.000 0.301 757 F C 2.720 178.551 175.800 0.053 0.000 1.076 757 F CA 1.169 59.179 58.000 0.017 0.000 1.295 757 F CB -0.340 38.645 39.000 -0.025 0.000 1.026 757 F HN 0.238 nan 8.300 nan 0.000 0.494 758 A N 0.301 123.067 122.820 -0.090 0.000 1.873 758 A HA -0.175 4.138 4.320 -0.012 0.000 0.215 758 A C 2.315 179.697 177.584 -0.337 0.000 1.186 758 A CA 1.790 53.661 52.037 -0.277 0.000 0.616 758 A CB -0.757 18.131 19.000 -0.187 0.000 0.823 758 A HN 0.453 nan 8.150 nan 0.000 0.442 759 M N -1.941 117.584 119.600 -0.125 0.000 2.065 759 M HA -0.142 4.331 4.480 -0.012 0.000 0.259 759 M C 2.151 178.499 176.300 0.081 0.000 1.069 759 M CA 2.106 57.424 55.300 0.029 0.000 1.110 759 M CB -0.590 32.106 32.600 0.162 0.000 1.328 759 M HN 0.503 nan 8.290 nan 0.000 0.405 760 F N 1.406 121.328 119.950 -0.047 0.000 2.147 760 F HA -0.266 4.254 4.527 -0.012 0.000 0.301 760 F C 2.132 177.766 175.800 -0.276 0.000 1.084 760 F CA 1.929 59.768 58.000 -0.268 0.000 1.268 760 F CB -0.248 38.636 39.000 -0.192 0.000 1.009 760 F HN 0.195 nan 8.300 nan 0.000 0.486 761 E N -1.366 118.619 120.200 -0.359 0.000 2.106 761 E HA -0.211 4.132 4.350 -0.012 0.000 0.192 761 E C 2.031 178.504 176.600 -0.212 0.000 0.984 761 E CA 1.073 57.231 56.400 -0.402 0.000 0.806 761 E CB -0.306 29.118 29.700 -0.459 0.000 0.750 761 E HN 0.498 nan 8.360 nan 0.000 0.458 762 H N 0.376 119.344 119.070 -0.171 0.000 2.423 762 H HA -0.095 4.454 4.556 -0.012 0.000 0.297 762 H C 2.027 177.285 175.328 -0.116 0.000 1.075 762 H CA 1.348 57.336 56.048 -0.100 0.000 1.342 762 H CB -0.310 29.438 29.762 -0.024 0.000 1.395 762 H HN 0.262 nan 8.280 nan 0.000 0.530 763 M N -0.132 119.440 119.600 -0.046 0.000 2.099 763 M HA -0.127 4.346 4.480 -0.012 0.000 0.262 763 M C 1.464 177.652 176.300 -0.187 0.000 1.067 763 M CA 1.559 56.798 55.300 -0.101 0.000 1.124 763 M CB 0.019 32.523 32.600 -0.159 0.000 1.353 763 M HN 0.001 nan 8.290 nan 0.000 0.410 764 I N 1.463 121.820 120.570 -0.354 0.000 2.127 764 I HA -0.264 3.899 4.170 -0.012 0.000 0.241 764 I C 2.259 178.274 176.117 -0.170 0.000 1.075 764 I CA 1.865 62.971 61.300 -0.323 0.000 1.334 764 I CB -1.861 35.879 38.000 -0.433 0.000 1.040 764 I HN 0.468 nan 8.210 nan 0.000 0.405 765 E N 0.443 120.568 120.200 -0.125 0.000 2.118 765 E HA -0.209 4.134 4.350 -0.012 0.000 0.195 765 E C 2.319 178.893 176.600 -0.044 0.000 0.992 765 E CA 1.629 57.992 56.400 -0.061 0.000 0.804 765 E CB -0.176 29.511 29.700 -0.022 0.000 0.741 765 E HN 0.394 nan 8.360 nan 0.000 0.458 766 S N 0.666 116.341 115.700 -0.043 0.000 2.355 766 S HA -0.126 4.337 4.470 -0.012 0.000 0.222 766 S C 2.028 176.608 174.600 -0.033 0.000 1.031 766 S CA 0.699 58.886 58.200 -0.022 0.000 0.993 766 S CB -0.199 62.999 63.200 -0.003 0.000 0.859 766 S HN 0.183 nan 8.310 nan 0.000 0.453 767 I N 1.555 122.086 120.570 -0.065 0.000 2.118 767 I HA -0.246 3.917 4.170 -0.012 0.000 0.241 767 I C 2.627 178.701 176.117 -0.073 0.000 1.070 767 I CA 1.976 63.225 61.300 -0.083 0.000 1.327 767 I CB -0.612 37.323 38.000 -0.108 0.000 1.034 767 I HN 0.473 nan 8.210 nan 0.000 0.405 768 E N 0.774 120.934 120.200 -0.068 0.000 2.023 768 E HA -0.236 4.106 4.350 -0.012 0.000 0.196 768 E C 1.876 178.468 176.600 -0.013 0.000 1.003 768 E CA 1.470 57.838 56.400 -0.054 0.000 0.809 768 E CB -0.244 29.422 29.700 -0.056 0.000 0.755 768 E HN 0.470 nan 8.360 nan 0.000 0.449 769 D N 0.707 121.115 120.400 0.014 0.000 2.127 769 D HA -0.236 4.397 4.640 -0.012 0.000 0.190 769 D C 1.966 178.325 176.300 0.098 0.000 1.000 769 D CA 1.328 55.369 54.000 0.068 0.000 0.839 769 D CB -0.237 40.592 40.800 0.048 0.000 0.955 769 D HN 0.239 nan 8.370 nan 0.000 0.446 770 E N 0.502 120.748 120.200 0.077 0.000 2.038 770 E HA -0.167 4.176 4.350 -0.012 0.000 0.195 770 E C 2.295 178.992 176.600 0.161 0.000 1.000 770 E CA 1.113 57.601 56.400 0.147 0.000 0.803 770 E CB 0.083 29.805 29.700 0.036 0.000 0.750 770 E HN 0.002 nan 8.360 nan 0.000 0.448 771 V N 1.483 121.404 119.914 0.012 0.000 2.231 771 V HA -0.341 3.771 4.120 -0.012 0.000 0.248 771 V C 2.543 178.659 176.094 0.038 0.000 1.054 771 V CA 2.110 64.391 62.300 -0.031 0.000 1.015 771 V CB -1.095 30.672 31.823 -0.093 0.000 0.638 771 V HN 0.507 nan 8.190 nan 0.000 0.444 772 A N -0.701 122.134 122.820 0.024 0.000 1.997 772 A HA -0.333 3.980 4.320 -0.012 0.000 0.221 772 A C 2.321 179.979 177.584 0.122 0.000 1.172 772 A CA 2.534 54.577 52.037 0.010 0.000 0.645 772 A CB -0.508 18.473 19.000 -0.032 0.000 0.813 772 A HN 0.593 nan 8.150 nan 0.000 0.454 773 K N -1.558 118.963 120.400 0.202 0.000 1.980 773 K HA -0.039 4.274 4.320 -0.012 0.000 0.208 773 K C 1.680 178.369 176.600 0.148 0.000 1.043 773 K CA 1.364 57.757 56.287 0.177 0.000 0.938 773 K CB -0.332 32.231 32.500 0.106 0.000 0.724 773 K HN 0.322 nan 8.250 nan 0.000 0.438 774 F N 1.333 121.299 119.950 0.026 0.000 2.091 774 F HA -0.255 4.265 4.527 -0.012 0.000 0.299 774 F C 2.256 178.101 175.800 0.074 0.000 1.103 774 F CA 1.621 59.640 58.000 0.033 0.000 1.228 774 F CB -1.065 37.910 39.000 -0.043 0.000 0.984 774 F HN -0.009 nan 8.300 nan 0.000 0.477 775 V N -2.192 117.850 119.914 0.213 0.000 2.764 775 V HA -0.298 3.815 4.120 -0.012 0.000 0.261 775 V C 1.766 178.021 176.094 0.269 0.000 1.108 775 V CA 1.662 64.091 62.300 0.215 0.000 1.129 775 V CB -0.578 31.283 31.823 0.063 0.000 0.701 775 V HN 0.308 nan 8.190 nan 0.000 0.495 776 M N 0.355 120.065 119.600 0.184 0.000 2.961 776 M HA 0.214 4.687 4.480 -0.012 0.000 0.224 776 M C 2.055 178.412 176.300 0.094 0.000 1.418 776 M CA 1.047 56.428 55.300 0.136 0.000 1.341 776 M CB -0.952 31.722 32.600 0.123 0.000 1.087 776 M HN 0.198 nan 8.290 nan 0.000 0.554 777 K N 1.018 121.457 120.400 0.064 0.000 2.574 777 K HA 0.213 4.526 4.320 -0.012 0.000 0.193 777 K C 0.271 176.901 176.600 0.050 0.000 1.035 777 K CA 0.158 56.463 56.287 0.028 0.000 0.982 777 K CB -0.156 32.326 32.500 -0.030 0.000 0.795 777 K HN 0.256 nan 8.250 nan 0.000 0.491 778 A N 2.154 125.043 122.820 0.115 0.000 2.249 778 A HA 0.215 4.528 4.320 -0.012 0.000 0.314 778 A C -0.673 177.007 177.584 0.161 0.000 1.290 778 A CA -0.629 51.538 52.037 0.217 0.000 0.893 778 A CB 0.340 19.568 19.000 0.380 0.000 1.165 778 A HN 0.135 nan 8.150 nan 0.000 0.530 779 E N 2.115 122.350 120.200 0.059 0.000 2.266 779 E HA 0.400 4.743 4.350 -0.012 0.000 0.277 779 E C -0.651 175.912 176.600 -0.061 0.000 1.018 779 E CA -0.433 55.872 56.400 -0.160 0.000 0.840 779 E CB 1.506 31.196 29.700 -0.016 0.000 1.082 779 E HN 0.660 nan 8.360 nan 0.000 0.395 780 I N 2.598 123.043 120.570 -0.208 0.000 2.634 780 I HA -0.043 4.120 4.170 -0.012 0.000 0.284 780 I C 1.104 177.279 176.117 0.096 0.000 1.124 780 I CA 0.416 61.700 61.300 -0.026 0.000 1.417 780 I CB 0.319 38.251 38.000 -0.112 0.000 1.396 780 I HN 0.664 nan 8.210 nan 0.000 0.571 781 E N 5.012 125.267 120.200 0.092 0.000 4.092 781 E HA 0.258 4.601 4.350 -0.012 0.000 0.295 781 E C 0.198 176.834 176.600 0.060 0.000 0.821 781 E CA -0.606 55.831 56.400 0.062 0.000 1.543 781 E CB 0.120 29.848 29.700 0.046 0.000 2.143 781 E HN 0.630 nan 8.360 nan 0.000 0.465 782 N N 0.598 119.330 118.700 0.053 0.000 2.426 782 N HA -0.040 4.693 4.740 -0.012 0.000 0.205 782 N C 0.163 175.711 175.510 0.063 0.000 1.040 782 N CA -0.063 53.016 53.050 0.048 0.000 0.990 782 N CB -0.730 37.777 38.487 0.033 0.000 1.215 782 N HN 0.140 nan 8.380 nan 0.000 0.491 783 N N 1.313 120.052 118.700 0.065 0.000 2.418 783 N HA -0.012 4.721 4.740 -0.012 0.000 0.277 783 N C -0.726 174.842 175.510 0.095 0.000 1.317 783 N CA -0.057 53.037 53.050 0.072 0.000 0.922 783 N CB 0.439 38.965 38.487 0.065 0.000 1.194 783 N HN 0.224 nan 8.380 nan 0.000 0.485 784 L N 4.144 125.427 121.223 0.100 0.000 2.999 784 L HA 0.224 4.557 4.340 -0.012 0.000 0.263 784 L C -0.409 176.528 176.870 0.112 0.000 1.320 784 L CA -0.054 54.861 54.840 0.125 0.000 0.913 784 L CB -0.222 41.922 42.059 0.141 0.000 1.296 784 L HN 0.596 nan 8.230 nan 0.000 0.546 785 E N 0.073 120.332 120.200 0.099 0.000 2.179 785 E HA 0.463 4.805 4.350 -0.012 0.000 0.275 785 E C -0.568 176.065 176.600 0.055 0.000 0.945 785 E CA -0.919 55.550 56.400 0.116 0.000 0.792 785 E CB 1.325 31.101 29.700 0.127 0.000 1.125 785 E HN 0.150 nan 8.360 nan 0.000 0.397 786 R N 2.761 123.261 120.500 0.001 0.000 2.446 786 R HA 0.043 4.375 4.340 -0.012 0.000 0.314 786 R C -0.205 176.037 176.300 -0.096 0.000 1.003 786 R CA 0.252 56.265 56.100 -0.146 0.000 1.018 786 R CB 0.157 30.205 30.300 -0.420 0.000 0.945 786 R HN 0.568 nan 8.270 nan 0.000 0.419 787 E N 3.113 123.272 120.200 -0.069 0.000 2.216 787 E HA 0.070 4.413 4.350 -0.012 0.000 0.279 787 E C -0.267 176.303 176.600 -0.049 0.000 0.997 787 E CA -0.643 55.737 56.400 -0.033 0.000 0.817 787 E CB 1.619 31.313 29.700 -0.010 0.000 1.096 787 E HN 0.479 nan 8.360 nan 0.000 0.393 788 E N 1.156 121.341 120.200 -0.025 0.000 2.478 788 E HA -0.039 4.304 4.350 -0.012 0.000 0.262 788 E C -0.114 176.478 176.600 -0.014 0.000 1.243 788 E CA 0.099 56.487 56.400 -0.021 0.000 1.039 788 E CB 0.603 30.304 29.700 0.002 0.000 0.983 788 E HN 0.274 nan 8.360 nan 0.000 0.479 789 V N 1.667 121.581 119.914 -0.001 0.000 3.111 789 V HA 0.194 4.307 4.120 -0.012 0.000 0.343 789 V C -0.897 175.218 176.094 0.034 0.000 1.417 789 V CA -0.299 62.009 62.300 0.013 0.000 1.142 789 V CB 0.219 32.048 31.823 0.009 0.000 1.114 789 V HN 0.448 nan 8.190 nan 0.000 0.520 790 V N -2.603 117.329 119.914 0.030 0.000 2.924 790 V HA 0.598 4.711 4.120 -0.012 0.000 0.300 790 V C -1.027 175.084 176.094 0.028 0.000 1.227 790 V CA -0.991 61.331 62.300 0.036 0.000 0.954 790 V CB 1.833 33.679 31.823 0.037 0.000 1.055 790 V HN 0.173 nan 8.190 nan 0.000 0.429 791 Q N 2.803 122.621 119.800 0.030 0.000 2.286 791 Q HA 0.574 4.906 4.340 -0.012 0.000 0.267 791 Q C 1.220 177.230 176.000 0.017 0.000 1.028 791 Q CA 1.748 57.565 55.803 0.023 0.000 0.901 791 Q CB 0.884 29.638 28.738 0.026 0.000 1.183 791 Q HN 1.660 nan 8.270 nan 0.000 0.392 792 G N 3.131 111.939 108.800 0.013 0.000 2.684 792 G HA2 -0.428 3.525 3.960 -0.012 0.000 0.342 792 G HA3 -0.428 3.525 3.960 -0.012 0.000 0.342 792 G C -0.515 174.386 174.900 0.001 0.000 1.316 792 G CA 0.580 45.685 45.100 0.008 0.000 0.994 792 G HN 0.854 nan 8.290 nan 0.000 0.541 793 Q N 0.762 120.559 119.800 -0.005 0.000 2.436 793 Q HA 0.405 4.737 4.340 -0.012 0.000 0.326 793 Q C 0.005 175.990 176.000 -0.024 0.000 1.079 793 Q CA 1.088 56.881 55.803 -0.017 0.000 1.049 793 Q CB -0.230 28.496 28.738 -0.020 0.000 1.047 793 Q HN 0.988 nan 8.270 nan 0.000 0.386 794 T N 1.065 115.596 114.554 -0.039 0.000 2.881 794 T HA 0.607 4.950 4.350 -0.012 0.000 0.290 794 T C -0.389 174.250 174.700 -0.102 0.000 1.000 794 T CA -0.935 61.136 62.100 -0.050 0.000 0.978 794 T CB 1.767 70.621 68.868 -0.024 0.000 0.997 794 T HN 0.563 nan 8.240 nan 0.000 0.443 795 T N 1.861 116.316 114.554 -0.164 0.000 2.925 795 T HA 0.779 5.122 4.350 -0.012 0.000 0.285 795 T C -0.168 174.317 174.700 -0.359 0.000 1.021 795 T CA -0.869 61.059 62.100 -0.286 0.000 1.042 795 T CB 1.533 70.166 68.868 -0.393 0.000 1.037 795 T HN 1.028 nan 8.240 nan 0.000 0.481 796 A N 2.550 125.122 122.820 -0.413 0.000 2.318 796 A HA 0.816 5.129 4.320 -0.012 0.000 0.324 796 A C -0.474 176.950 177.584 -0.267 0.000 1.170 796 A CA -0.746 50.983 52.037 -0.514 0.000 0.810 796 A CB 0.336 18.674 19.000 -1.103 0.000 1.198 796 A HN 1.154 nan 8.150 nan 0.000 0.484 797 H N -0.473 118.632 119.070 0.058 0.000 3.024 797 H HA 0.580 5.129 4.556 -0.012 0.000 0.324 797 H C -1.304 174.196 175.328 0.286 0.000 1.347 797 H CA -0.878 55.287 56.048 0.195 0.000 1.182 797 H CB 1.078 30.883 29.762 0.073 0.000 1.889 797 H HN 0.576 nan 8.280 nan 0.000 0.528 798 Q N 1.957 121.900 119.800 0.239 0.000 2.310 798 Q HA 0.340 4.672 4.340 -0.012 0.000 0.270 798 Q C -2.761 173.213 176.000 -0.044 0.000 1.025 798 Q CA -2.050 53.768 55.803 0.025 0.000 0.772 798 Q CB 2.132 30.863 28.738 -0.012 0.000 1.253 798 Q HN 0.478 nan 8.270 nan 0.000 0.450 799 P HA -0.137 nan 4.420 nan 0.000 0.263 799 P C 0.135 177.408 177.300 -0.044 0.000 1.175 799 P CA 0.425 63.466 63.100 -0.098 0.000 0.761 799 P CB 0.630 32.261 31.700 -0.114 0.000 0.794 800 Q N 2.029 121.817 119.800 -0.020 0.000 2.030 800 Q HA -0.160 4.173 4.340 -0.012 0.000 0.204 800 Q C 0.110 176.108 176.000 -0.003 0.000 0.986 800 Q CA 1.564 57.368 55.803 0.002 0.000 0.843 800 Q CB 0.241 28.984 28.738 0.009 0.000 0.904 800 Q HN 0.538 nan 8.270 nan 0.000 0.420 801 E N -2.488 117.704 120.200 -0.015 0.000 2.419 801 E HA 0.448 4.791 4.350 -0.012 0.000 0.285 801 E C -1.335 175.251 176.600 -0.023 0.000 1.079 801 E CA 0.237 56.629 56.400 -0.015 0.000 0.864 801 E CB 1.841 31.541 29.700 -0.001 0.000 1.216 801 E HN 0.421 nan 8.360 nan 0.000 0.428 802 G N 0.000 108.785 108.800 -0.025 0.000 5.446 802 G HA2 0.000 3.953 3.960 -0.012 0.000 0.244 802 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 802 G CA 0.000 45.084 45.100 -0.026 0.000 0.502 802 G HN 0.000 nan 8.290 nan 0.000 0.925