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 1w36_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSDVAETLDP LRLPLQGERL IEASAGTGKT FTIAALYLRL LLGLGGSAAF DATA SEQUENCE PRPLTVEELL VVTFTEAATA ELRGRIRSNI HELRIACLRE TTDNPLYERL DATA SEQUENCE LEEIDDKAQA AQWLLLAERQ MDEAAVFTIH GFCQRMLNLN AFESGMLFEQ DATA SEQUENCE QLIEDESLLR YQACADFWRR HCYPLPREIA QVVFETWKGP QALLRDINRY DATA SEQUENCE LQGEAPVIKA PPPDDETLAS RHAQIVARID TVKQQWRDAV GELDALIESS DATA SEQUENCE GIDRRKFNRS NQAKWIDKIS AWAEEETNSY QLPESLEKXX XXXXXXXXXX DATA SEQUENCE XXXXPRHPLF EAIDQLLAEP LSIRDLVITR ALAEIRETVA REKRRRGELG DATA SEQUENCE FDDMLSRLDS ALRSESGEVL AAAIRTRFPV AMIDEFQDTD PQQYRIFRRI DATA SEQUENCE WHHQPETALL LIGDPKQAIY AFRGADIFTY MKARSEVHAH YTLDTNWRSA DATA SEQUENCE PGMVNSVNKL FSQTDDAFMF REIPFIPVKS AGKNQALRFV FKGETQPAMK DATA SEQUENCE MWLMEGESCG VGDYQSTMAQ VCAAQIRDWL QAGQRGEALL MNGDDARPVR DATA SEQUENCE ASDISVLVRS RQEAAQVRDA LTLLEIPSVY LSNRDSVFET LEAQEMLWLL DATA SEQUENCE QAVMTPEREN TLRSALATSM MGLNALDIET LNNDEHAWDV VVEEFDGYRQ DATA SEQUENCE IWRKRGVMPM LRALMSARNI AENLLATAGG ERRLTDILHI SELLQEAGTQ DATA SEQUENCE LESEHALVRW LSQHILEPDS NASSQQMRLE SDKHLVQIVT IHKSKGLEYP DATA SEQUENCE LVWLPFITNF RVQEQAFYHD RHSFEAVLDL NAAPESVDLA EAERLAEDLR DATA SEQUENCE LLYVALTRSV WHCSLGVAPL VRRRGDKKGD TDVHQSALGR LLQKGEPQDA DATA SEQUENCE AGLRTCIEAL CDDDIAWQTA QTGDNQPWQV NDVSTAELNA KTLQRLPGDN DATA SEQUENCE WRVTSYSGLQ QRGHGIAQDL MPRLDVDAAG VASVVEEPTL TPHQFPRGAS DATA SEQUENCE PGTFLHSLFE DLDFTQPVDP NWVREKLELG GFESQWEPVL TEWITAVLQA DATA SEQUENCE PLNETGVSLS QLSARNKQVE MEFYLPISEP LIASQLDTLI RQFDPLSAGC DATA SEQUENCE PPLEFMQVRG MLKGFIDLVF RHEGRYYLLD YKSNWLGEDS SAYTQQAMAA DATA SEQUENCE AMQAHRYDLQ YQLYTLALHR YLRHRIADYD YEHHFGGVIY LFLRGVDKEH DATA SEQUENCE PQQGIYTTRP NAGLIALMDE MFAG 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 0.000 176.167 176.300 -0.222 0.000 1.140 1 M CA 0.000 55.153 55.300 -0.245 0.000 0.988 1 M CB 0.000 32.514 32.600 -0.144 0.000 1.302 2 S N 1.429 117.007 115.700 -0.203 0.000 4.136 2 S HA -0.284 4.184 4.470 -0.002 0.000 0.538 2 S C 0.067 174.578 174.600 -0.148 0.000 0.962 2 S CA 2.006 60.106 58.200 -0.166 0.000 3.423 2 S CB -1.769 61.370 63.200 -0.101 0.000 2.319 2 S HN 0.846 nan 8.310 nan 0.000 0.464 3 D N 1.387 121.743 120.400 -0.074 0.000 2.233 3 D HA 0.547 5.186 4.640 -0.002 0.000 0.240 3 D C -0.431 175.861 176.300 -0.013 0.000 1.074 3 D CA 0.346 54.331 54.000 -0.024 0.000 0.838 3 D CB 1.185 41.977 40.800 -0.013 0.000 1.124 3 D HN 1.197 nan 8.370 nan 0.000 0.475 4 V N 2.185 122.112 119.914 0.021 0.000 4.190 4 V HA -0.153 3.966 4.120 -0.002 0.000 0.437 4 V C 0.743 176.835 176.094 -0.002 0.000 0.680 4 V CA 0.354 62.661 62.300 0.011 0.000 1.799 4 V CB -1.941 29.876 31.823 -0.010 0.000 2.188 4 V HN 0.924 nan 8.190 nan 0.000 0.488 5 A N 3.852 126.688 122.820 0.028 0.000 2.639 5 A HA 0.218 4.537 4.320 -0.002 0.000 0.229 5 A C 0.659 178.216 177.584 -0.045 0.000 1.062 5 A CA 1.097 53.128 52.037 -0.010 0.000 0.761 5 A CB 0.224 19.242 19.000 0.030 0.000 0.988 5 A HN 1.145 nan 8.150 nan 0.000 0.510 6 E N 0.309 120.447 120.200 -0.102 0.000 2.331 6 E HA 0.229 4.578 4.350 -0.002 0.000 0.272 6 E C -0.485 176.154 176.600 0.066 0.000 1.036 6 E CA -0.296 56.083 56.400 -0.036 0.000 0.864 6 E CB 0.509 30.166 29.700 -0.073 0.000 1.035 6 E HN 0.554 nan 8.360 nan 0.000 0.408 7 T N 6.135 120.727 114.554 0.063 0.000 3.121 7 T HA 0.001 4.349 4.350 -0.002 0.000 0.256 7 T C 0.298 175.075 174.700 0.128 0.000 0.942 7 T CA -0.290 61.858 62.100 0.079 0.000 1.158 7 T CB -0.348 68.545 68.868 0.042 0.000 0.963 7 T HN 0.381 nan 8.240 nan 0.000 0.660 8 L N 3.976 125.319 121.223 0.199 0.000 2.822 8 L HA -0.060 4.278 4.340 -0.002 0.000 0.288 8 L C 0.098 177.017 176.870 0.083 0.000 1.182 8 L CA 1.046 55.991 54.840 0.175 0.000 0.936 8 L CB -0.162 41.965 42.059 0.114 0.000 1.269 8 L HN 0.503 nan 8.230 nan 0.000 0.476 9 D N 7.943 128.379 120.400 0.059 0.000 2.485 9 D HA 0.304 4.943 4.640 -0.002 0.000 0.229 9 D C -1.635 174.659 176.300 -0.010 0.000 1.101 9 D CA -2.174 51.845 54.000 0.032 0.000 0.906 9 D CB 1.437 42.259 40.800 0.037 0.000 1.019 9 D HN 0.310 nan 8.370 nan 0.000 0.516 10 P HA -0.243 nan 4.420 nan 0.000 0.224 10 P C 1.681 178.947 177.300 -0.057 0.000 1.153 10 P CA 1.299 64.365 63.100 -0.057 0.000 0.947 10 P CB 0.203 31.874 31.700 -0.048 0.000 0.790 11 L N -2.348 118.851 121.223 -0.040 0.000 2.187 11 L HA -0.151 4.188 4.340 -0.002 0.000 0.213 11 L C 2.296 179.153 176.870 -0.022 0.000 1.100 11 L CA 1.243 56.063 54.840 -0.033 0.000 0.765 11 L CB -0.394 41.649 42.059 -0.027 0.000 0.904 11 L HN -0.072 nan 8.230 nan 0.000 0.437 12 R N 0.066 120.556 120.500 -0.016 0.000 2.509 12 R HA 0.156 4.495 4.340 -0.002 0.000 0.300 12 R C -0.098 176.196 176.300 -0.010 0.000 0.985 12 R CA -0.362 55.736 56.100 -0.003 0.000 1.092 12 R CB -0.180 30.128 30.300 0.014 0.000 1.237 12 R HN 0.062 nan 8.270 nan 0.000 0.546 13 L N 3.120 124.309 121.223 -0.056 0.000 2.418 13 L HA 0.353 4.692 4.340 -0.002 0.000 0.274 13 L C -2.167 174.656 176.870 -0.077 0.000 1.135 13 L CA -1.729 53.037 54.840 -0.123 0.000 0.870 13 L CB 0.403 42.312 42.059 -0.250 0.000 1.154 13 L HN 0.100 nan 8.230 nan 0.000 0.462 14 P HA -0.032 nan 4.420 nan 0.000 0.263 14 P C 0.005 177.308 177.300 0.004 0.000 1.276 14 P CA 0.111 63.215 63.100 0.008 0.000 0.986 14 P CB 0.106 31.837 31.700 0.050 0.000 1.105 15 L N 3.200 124.436 121.223 0.022 0.000 3.168 15 L HA -0.020 4.319 4.340 -0.002 0.000 0.253 15 L C 1.023 177.985 176.870 0.153 0.000 1.384 15 L CA 0.514 55.394 54.840 0.065 0.000 1.131 15 L CB -1.226 40.892 42.059 0.100 0.000 1.552 15 L HN 0.433 nan 8.230 nan 0.000 0.431 16 Q N -0.242 119.610 119.800 0.086 0.000 2.303 16 Q HA 0.566 4.905 4.340 -0.002 0.000 0.267 16 Q C 0.022 176.071 176.000 0.082 0.000 1.011 16 Q CA -0.281 55.574 55.803 0.088 0.000 0.740 16 Q CB 1.798 30.548 28.738 0.020 0.000 1.250 16 Q HN 0.240 nan 8.270 nan 0.000 0.458 17 G N 3.433 112.295 108.800 0.103 0.000 3.610 17 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.341 17 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.341 17 G C -0.139 174.800 174.900 0.065 0.000 0.587 17 G CA 0.429 45.584 45.100 0.092 0.000 1.279 17 G HN 1.741 nan 8.290 nan 0.000 0.556 18 E N 1.395 121.619 120.200 0.039 0.000 3.301 18 E HA -0.251 4.098 4.350 -0.002 0.000 0.171 18 E C -0.729 175.897 176.600 0.043 0.000 2.011 18 E CA 1.245 57.659 56.400 0.024 0.000 0.763 18 E CB -0.773 28.957 29.700 0.050 0.000 1.050 18 E HN 0.798 nan 8.360 nan 0.000 0.342 19 R N 2.763 123.266 120.500 0.006 0.000 2.532 19 R HA 0.497 4.836 4.340 -0.002 0.000 0.297 19 R C -0.435 175.896 176.300 0.051 0.000 0.984 19 R CA -1.244 54.919 56.100 0.104 0.000 0.884 19 R CB 1.213 31.526 30.300 0.020 0.000 1.182 19 R HN 0.451 nan 8.270 nan 0.000 0.442 20 L N 4.736 126.058 121.223 0.166 0.000 2.264 20 L HA 0.485 4.823 4.340 -0.002 0.000 0.287 20 L C -0.648 176.313 176.870 0.152 0.000 1.039 20 L CA -0.316 54.563 54.840 0.065 0.000 0.829 20 L CB 0.484 42.527 42.059 -0.027 0.000 1.211 20 L HN 0.553 nan 8.230 nan 0.000 0.427 21 I N 4.643 125.262 120.570 0.082 0.000 2.307 21 I HA 0.280 4.449 4.170 -0.002 0.000 0.289 21 I C 0.285 176.445 176.117 0.072 0.000 1.021 21 I CA -0.352 61.009 61.300 0.102 0.000 1.224 21 I CB 1.186 39.195 38.000 0.015 0.000 1.376 21 I HN 0.572 nan 8.210 nan 0.000 0.470 22 E N 6.538 126.780 120.200 0.070 0.000 2.105 22 E HA 0.444 4.793 4.350 -0.002 0.000 0.285 22 E C -0.690 175.927 176.600 0.028 0.000 1.055 22 E CA -0.572 55.847 56.400 0.031 0.000 0.843 22 E CB 1.081 30.778 29.700 -0.005 0.000 1.067 22 E HN 0.723 nan 8.360 nan 0.000 0.398 23 A N 4.523 127.358 122.820 0.024 0.000 2.540 23 A HA 0.311 4.630 4.320 -0.002 0.000 0.340 23 A C 0.284 177.893 177.584 0.042 0.000 1.424 23 A CA -0.541 51.523 52.037 0.045 0.000 0.940 23 A CB 0.735 19.769 19.000 0.056 0.000 1.149 23 A HN 0.623 nan 8.150 nan 0.000 0.505 24 S N 0.833 116.558 115.700 0.042 0.000 2.614 24 S HA 0.324 4.793 4.470 -0.002 0.000 0.251 24 S C 1.142 175.813 174.600 0.119 0.000 1.388 24 S CA 0.324 58.574 58.200 0.084 0.000 0.973 24 S CB 0.245 63.494 63.200 0.081 0.000 0.926 24 S HN 1.306 nan 8.310 nan 0.000 0.580 25 A N 0.137 123.065 122.820 0.181 0.000 2.492 25 A HA 0.486 4.805 4.320 -0.002 0.000 0.254 25 A C 1.338 178.955 177.584 0.056 0.000 1.091 25 A CA 0.196 52.277 52.037 0.073 0.000 0.768 25 A CB -1.134 17.827 19.000 -0.065 0.000 1.028 25 A HN 1.818 nan 8.150 nan 0.000 0.498 26 G N 2.135 110.974 108.800 0.065 0.000 2.198 26 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.260 26 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.260 26 G C 0.663 175.671 174.900 0.179 0.000 1.025 26 G CA 1.308 46.468 45.100 0.101 0.000 0.769 26 G HN 1.913 nan 8.290 nan 0.000 0.507 27 T N -3.387 111.290 114.554 0.204 0.000 3.044 27 T HA 0.466 4.815 4.350 -0.002 0.000 0.250 27 T C 2.009 177.032 174.700 0.538 0.000 1.081 27 T CA 1.311 63.590 62.100 0.298 0.000 1.040 27 T CB 0.705 69.674 68.868 0.170 0.000 0.962 27 T HN 2.093 nan 8.240 nan 0.000 0.506 28 G N 1.837 110.905 108.800 0.447 0.000 2.143 28 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.175 28 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.175 28 G C 0.744 175.835 174.900 0.319 0.000 1.004 28 G CA 0.339 45.756 45.100 0.529 0.000 0.671 28 G HN 0.450 nan 8.290 nan 0.000 0.512 29 K N 0.855 121.361 120.400 0.178 0.000 2.107 29 K HA -0.261 4.058 4.320 -0.002 0.000 0.211 29 K C 2.541 179.149 176.600 0.012 0.000 1.049 29 K CA 2.907 59.238 56.287 0.073 0.000 0.927 29 K CB -0.685 31.837 32.500 0.037 0.000 0.714 29 K HN 0.663 nan 8.250 nan 0.000 0.452 30 T N -1.113 113.411 114.554 -0.050 0.000 2.701 30 T HA -0.099 4.250 4.350 -0.002 0.000 0.263 30 T C 2.026 176.613 174.700 -0.189 0.000 1.040 30 T CA 1.368 63.356 62.100 -0.187 0.000 1.147 30 T CB -0.792 67.879 68.868 -0.329 0.000 0.865 30 T HN 0.176 nan 8.240 nan 0.000 0.426 31 F N 2.225 122.112 119.950 -0.105 0.000 2.161 31 F HA -0.066 4.460 4.527 -0.002 0.000 0.300 31 F C 2.989 178.711 175.800 -0.129 0.000 1.089 31 F CA 1.267 59.181 58.000 -0.142 0.000 1.282 31 F CB -1.625 37.241 39.000 -0.223 0.000 1.010 31 F HN 0.133 nan 8.300 nan 0.000 0.485 32 T N 1.037 115.652 114.554 0.101 0.000 2.674 32 T HA -0.148 4.200 4.350 -0.002 0.000 0.265 32 T C 2.146 176.834 174.700 -0.020 0.000 1.039 32 T CA 1.475 63.589 62.100 0.024 0.000 1.150 32 T CB -0.490 68.395 68.868 0.028 0.000 0.864 32 T HN 0.134 nan 8.240 nan 0.000 0.427 33 I N 1.487 122.036 120.570 -0.037 0.000 2.074 33 I HA -0.325 3.844 4.170 -0.002 0.000 0.238 33 I C 2.957 179.053 176.117 -0.034 0.000 1.037 33 I CA 1.605 62.871 61.300 -0.056 0.000 1.301 33 I CB -0.877 37.071 38.000 -0.087 0.000 1.016 33 I HN 0.235 nan 8.210 nan 0.000 0.400 34 A N 0.884 123.668 122.820 -0.059 0.000 1.882 34 A HA -0.358 3.961 4.320 -0.002 0.000 0.220 34 A C 2.548 180.126 177.584 -0.010 0.000 1.253 34 A CA 3.122 55.131 52.037 -0.048 0.000 0.664 34 A CB -1.329 17.623 19.000 -0.079 0.000 0.838 34 A HN 0.547 nan 8.150 nan 0.000 0.460 35 A N -0.954 121.837 122.820 -0.049 0.000 1.859 35 A HA -0.173 4.146 4.320 -0.002 0.000 0.218 35 A C 2.054 179.612 177.584 -0.042 0.000 1.209 35 A CA 2.192 54.184 52.037 -0.075 0.000 0.639 35 A CB -0.948 18.004 19.000 -0.081 0.000 0.835 35 A HN 0.541 nan 8.150 nan 0.000 0.450 36 L N -1.889 119.309 121.223 -0.042 0.000 2.034 36 L HA -0.241 4.098 4.340 -0.002 0.000 0.217 36 L C 2.374 179.218 176.870 -0.042 0.000 1.077 36 L CA 2.304 57.110 54.840 -0.056 0.000 0.769 36 L CB -1.564 40.450 42.059 -0.075 0.000 0.890 36 L HN 0.593 nan 8.230 nan 0.000 0.435 37 Y N -0.430 119.798 120.300 -0.119 0.000 2.081 37 Y HA -0.306 4.243 4.550 -0.002 0.000 0.280 37 Y C 2.454 178.300 175.900 -0.089 0.000 1.163 37 Y CA 1.855 59.886 58.100 -0.116 0.000 1.135 37 Y CB -0.252 38.141 38.460 -0.111 0.000 0.970 37 Y HN 0.117 nan 8.280 nan 0.000 0.498 38 L N -0.775 120.489 121.223 0.068 0.000 1.994 38 L HA -0.264 4.075 4.340 -0.002 0.000 0.208 38 L C 2.737 179.582 176.870 -0.041 0.000 1.071 38 L CA 1.350 56.201 54.840 0.019 0.000 0.745 38 L CB -0.693 41.367 42.059 0.002 0.000 0.892 38 L HN 0.096 nan 8.230 nan 0.000 0.431 39 R N 0.449 120.918 120.500 -0.051 0.000 2.136 39 R HA -0.220 4.119 4.340 -0.002 0.000 0.242 39 R C 2.292 178.551 176.300 -0.068 0.000 1.131 39 R CA 1.936 58.008 56.100 -0.046 0.000 0.937 39 R CB -1.056 29.213 30.300 -0.051 0.000 0.863 39 R HN 0.352 nan 8.270 nan 0.000 0.435 40 L N 0.667 121.801 121.223 -0.148 0.000 2.079 40 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 40 L C 2.605 179.336 176.870 -0.230 0.000 1.081 40 L CA 1.093 55.800 54.840 -0.222 0.000 0.752 40 L CB -0.423 41.418 42.059 -0.363 0.000 0.896 40 L HN 0.214 nan 8.230 nan 0.000 0.433 41 L N -0.669 120.411 121.223 -0.238 0.000 2.046 41 L HA -0.185 4.154 4.340 -0.002 0.000 0.208 41 L C 1.778 178.615 176.870 -0.054 0.000 1.077 41 L CA 1.138 55.869 54.840 -0.183 0.000 0.747 41 L CB -0.134 41.853 42.059 -0.120 0.000 0.896 41 L HN 0.290 nan 8.230 nan 0.000 0.432 42 L N -0.373 120.879 121.223 0.049 0.000 2.791 42 L HA 0.235 4.574 4.340 -0.002 0.000 0.239 42 L C 1.274 178.250 176.870 0.177 0.000 1.203 42 L CA -0.088 54.880 54.840 0.214 0.000 1.002 42 L CB -0.398 41.772 42.059 0.185 0.000 1.295 42 L HN 0.333 nan 8.230 nan 0.000 0.504 43 G N 1.000 109.847 108.800 0.078 0.000 2.468 43 G HA2 -0.305 3.653 3.960 -0.002 0.000 0.311 43 G HA3 -0.305 3.653 3.960 -0.002 0.000 0.311 43 G C 0.384 175.346 174.900 0.104 0.000 0.942 43 G CA 0.354 45.515 45.100 0.101 0.000 0.893 43 G HN 0.217 nan 8.290 nan 0.000 0.513 44 L N -0.627 120.641 121.223 0.076 0.000 2.425 44 L HA 0.668 5.007 4.340 -0.002 0.000 0.225 44 L C 1.644 178.538 176.870 0.041 0.000 1.222 44 L CA 1.936 56.809 54.840 0.055 0.000 0.832 44 L CB -0.056 42.023 42.059 0.033 0.000 1.238 44 L HN 1.244 nan 8.230 nan 0.000 0.533 45 G N -1.594 107.222 108.800 0.026 0.000 2.408 45 G HA2 0.306 4.265 3.960 -0.002 0.000 0.204 45 G HA3 0.306 4.265 3.960 -0.002 0.000 0.204 45 G C -0.060 174.852 174.900 0.020 0.000 1.186 45 G CA -0.077 45.034 45.100 0.019 0.000 1.139 45 G HN 1.175 nan 8.290 nan 0.000 0.563 46 G N -1.917 106.894 108.800 0.018 0.000 3.409 46 G HA2 0.597 4.556 3.960 -0.002 0.000 0.168 46 G HA3 0.597 4.556 3.960 -0.002 0.000 0.168 46 G C 1.536 176.443 174.900 0.011 0.000 1.403 46 G CA 1.480 46.590 45.100 0.015 0.000 1.195 46 G HN 2.087 nan 8.290 nan 0.000 0.751 47 S N 0.385 116.090 115.700 0.009 0.000 2.524 47 S HA 0.468 4.937 4.470 -0.002 0.000 0.216 47 S C 1.803 176.406 174.600 0.005 0.000 0.987 47 S CA 1.181 59.383 58.200 0.003 0.000 0.909 47 S CB 0.673 63.876 63.200 0.005 0.000 0.781 47 S HN 1.060 nan 8.310 nan 0.000 0.521 48 A N 0.736 123.563 122.820 0.012 0.000 2.345 48 A HA 0.794 5.112 4.320 -0.002 0.000 0.225 48 A C 1.017 178.614 177.584 0.022 0.000 1.243 48 A CA 0.094 52.140 52.037 0.016 0.000 0.875 48 A CB -0.458 18.551 19.000 0.015 0.000 0.929 48 A HN 0.686 nan 8.150 nan 0.000 0.502 49 A N -0.696 122.139 122.820 0.025 0.000 2.257 49 A HA 0.639 4.958 4.320 -0.002 0.000 0.289 49 A C -0.369 177.259 177.584 0.073 0.000 1.095 49 A CA -0.480 51.590 52.037 0.054 0.000 0.836 49 A CB 0.142 19.173 19.000 0.051 0.000 1.111 49 A HN 0.519 nan 8.150 nan 0.000 0.497 50 F N 1.159 121.093 119.950 -0.027 0.000 2.385 50 F HA 0.468 4.994 4.527 -0.002 0.000 0.336 50 F C -1.248 174.541 175.800 -0.018 0.000 1.100 50 F CA -1.722 56.261 58.000 -0.028 0.000 1.116 50 F CB 1.047 40.017 39.000 -0.049 0.000 1.166 50 F HN 0.409 nan 8.300 nan 0.000 0.511 51 P HA -0.243 nan 4.420 nan 0.000 0.222 51 P C -0.644 176.597 177.300 -0.100 0.000 1.159 51 P CA 1.834 64.686 63.100 -0.413 0.000 0.920 51 P CB -0.132 31.200 31.700 -0.615 0.000 0.793 52 R N -1.468 119.103 120.500 0.117 0.000 2.888 52 R HA 0.601 4.940 4.340 -0.002 0.000 0.264 52 R C -3.043 173.379 176.300 0.203 0.000 1.045 52 R CA -2.256 53.945 56.100 0.168 0.000 0.962 52 R CB 1.103 31.474 30.300 0.119 0.000 1.210 52 R HN -0.167 nan 8.270 nan 0.000 0.479 53 P HA 0.242 nan 4.420 nan 0.000 0.292 53 P C -0.866 176.297 177.300 -0.228 0.000 1.287 53 P CA -0.424 62.587 63.100 -0.147 0.000 0.800 53 P CB 1.250 32.730 31.700 -0.365 0.000 0.945 54 L N 2.043 123.118 121.223 -0.246 0.000 2.400 54 L HA 0.560 4.899 4.340 -0.002 0.000 0.264 54 L C 1.139 177.855 176.870 -0.256 0.000 1.061 54 L CA -0.492 54.191 54.840 -0.262 0.000 0.799 54 L CB 0.817 42.671 42.059 -0.342 0.000 1.240 54 L HN 0.301 nan 8.230 nan 0.000 0.461 55 T N -1.142 113.294 114.554 -0.198 0.000 2.948 55 T HA 0.202 4.551 4.350 -0.002 0.000 0.285 55 T C 1.093 175.731 174.700 -0.104 0.000 1.019 55 T CA -0.682 61.331 62.100 -0.146 0.000 1.013 55 T CB 2.107 70.912 68.868 -0.104 0.000 1.117 55 T HN 0.264 nan 8.240 nan 0.000 0.533 56 V N 1.109 121.003 119.914 -0.034 0.000 2.332 56 V HA -0.163 3.956 4.120 -0.002 0.000 0.248 56 V C 1.874 178.011 176.094 0.072 0.000 1.055 56 V CA 1.950 64.281 62.300 0.051 0.000 1.038 56 V CB -0.706 31.172 31.823 0.091 0.000 0.651 56 V HN 0.868 nan 8.190 nan 0.000 0.450 57 E N -0.317 119.921 120.200 0.063 0.000 2.438 57 E HA -0.051 4.298 4.350 -0.002 0.000 0.192 57 E C 1.343 178.010 176.600 0.112 0.000 1.110 57 E CA 0.354 56.822 56.400 0.113 0.000 0.893 57 E CB -0.114 29.632 29.700 0.077 0.000 0.990 57 E HN 0.680 nan 8.360 nan 0.000 0.490 58 E N -0.212 120.034 120.200 0.076 0.000 2.571 58 E HA 0.159 4.507 4.350 -0.002 0.000 0.222 58 E C -0.131 176.544 176.600 0.125 0.000 0.904 58 E CA -0.126 56.325 56.400 0.085 0.000 1.157 58 E CB 0.616 30.290 29.700 -0.043 0.000 1.158 58 E HN 0.189 nan 8.360 nan 0.000 0.540 59 L N 3.067 124.299 121.223 0.013 0.000 2.334 59 L HA 0.250 4.589 4.340 -0.002 0.000 0.286 59 L C -0.175 176.672 176.870 -0.039 0.000 1.108 59 L CA -0.206 54.575 54.840 -0.098 0.000 0.875 59 L CB 0.470 42.357 42.059 -0.286 0.000 1.246 59 L HN 0.077 nan 8.230 nan 0.000 0.439 60 L N 5.002 126.170 121.223 -0.091 0.000 2.360 60 L HA 0.349 4.688 4.340 -0.002 0.000 0.276 60 L C -0.582 176.057 176.870 -0.385 0.000 1.121 60 L CA -0.062 54.574 54.840 -0.339 0.000 0.845 60 L CB 1.285 43.011 42.059 -0.555 0.000 1.143 60 L HN 0.286 nan 8.230 nan 0.000 0.452 61 V N 5.958 125.644 119.914 -0.379 0.000 2.482 61 V HA 0.319 4.438 4.120 -0.002 0.000 0.295 61 V C -0.091 175.821 176.094 -0.302 0.000 1.026 61 V CA -0.823 61.289 62.300 -0.313 0.000 0.856 61 V CB 1.799 33.492 31.823 -0.216 0.000 1.001 61 V HN 0.560 nan 8.190 nan 0.000 0.424 62 V N 2.153 121.907 119.914 -0.267 0.000 2.483 62 V HA 0.960 5.079 4.120 -0.002 0.000 0.295 62 V C -0.016 176.040 176.094 -0.065 0.000 1.035 62 V CA 0.014 62.237 62.300 -0.130 0.000 0.896 62 V CB 1.614 33.394 31.823 -0.073 0.000 0.986 62 V HN 0.886 nan 8.190 nan 0.000 0.447 63 T N 2.739 117.286 114.554 -0.012 0.000 2.888 63 T HA 0.546 4.894 4.350 -0.002 0.000 0.288 63 T C 0.064 174.806 174.700 0.070 0.000 1.063 63 T CA -0.210 61.896 62.100 0.011 0.000 1.010 63 T CB 1.879 70.725 68.868 -0.037 0.000 1.214 63 T HN 0.632 nan 8.240 nan 0.000 0.533 64 F N 1.285 121.192 119.950 -0.071 0.000 2.374 64 F HA 0.276 4.802 4.527 -0.002 0.000 0.291 64 F C 0.962 176.698 175.800 -0.106 0.000 1.084 64 F CA 0.391 58.329 58.000 -0.102 0.000 1.413 64 F CB -0.354 38.574 39.000 -0.120 0.000 1.099 64 F HN 0.508 nan 8.300 nan 0.000 0.534 65 T N 0.452 114.779 114.554 -0.378 0.000 2.918 65 T HA 0.120 4.468 4.350 -0.002 0.000 0.283 65 T C 0.865 175.413 174.700 -0.254 0.000 1.001 65 T CA -0.342 61.521 62.100 -0.395 0.000 1.041 65 T CB 1.821 70.571 68.868 -0.197 0.000 1.028 65 T HN -0.015 nan 8.240 nan 0.000 0.511 66 E N 1.322 121.388 120.200 -0.223 0.000 2.107 66 E HA 0.037 4.386 4.350 -0.002 0.000 0.191 66 E C 2.167 178.711 176.600 -0.093 0.000 0.982 66 E CA 1.152 57.474 56.400 -0.129 0.000 0.809 66 E CB -0.450 29.188 29.700 -0.103 0.000 0.756 66 E HN 0.711 nan 8.360 nan 0.000 0.459 67 A N 0.316 123.077 122.820 -0.099 0.000 2.014 67 A HA 0.066 4.385 4.320 -0.002 0.000 0.218 67 A C 2.282 179.819 177.584 -0.078 0.000 1.163 67 A CA 1.544 53.535 52.037 -0.076 0.000 0.652 67 A CB -0.575 18.385 19.000 -0.066 0.000 0.808 67 A HN 0.316 nan 8.150 nan 0.000 0.449 68 A N -0.106 122.661 122.820 -0.089 0.000 1.854 68 A HA -0.073 4.246 4.320 -0.002 0.000 0.214 68 A C 2.504 180.035 177.584 -0.089 0.000 1.192 68 A CA 2.458 54.446 52.037 -0.082 0.000 0.611 68 A CB -1.457 17.499 19.000 -0.072 0.000 0.832 68 A HN 0.756 nan 8.150 nan 0.000 0.442 69 T N -1.347 113.157 114.554 -0.083 0.000 2.684 69 T HA -0.099 4.250 4.350 -0.002 0.000 0.267 69 T C 1.951 176.601 174.700 -0.084 0.000 1.036 69 T CA 2.364 64.415 62.100 -0.082 0.000 1.148 69 T CB -0.802 68.041 68.868 -0.042 0.000 0.863 69 T HN 0.680 nan 8.240 nan 0.000 0.436 70 A N 1.850 124.629 122.820 -0.067 0.000 1.859 70 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 70 A C 2.382 179.916 177.584 -0.082 0.000 1.198 70 A CA 2.327 54.326 52.037 -0.063 0.000 0.629 70 A CB -1.277 17.692 19.000 -0.052 0.000 0.830 70 A HN 0.798 nan 8.150 nan 0.000 0.446 71 E N -0.794 119.353 120.200 -0.087 0.000 2.021 71 E HA -0.242 4.107 4.350 -0.002 0.000 0.200 71 E C 1.976 178.501 176.600 -0.125 0.000 1.015 71 E CA 1.548 57.888 56.400 -0.101 0.000 0.824 71 E CB -0.278 29.362 29.700 -0.101 0.000 0.762 71 E HN 0.325 nan 8.360 nan 0.000 0.454 72 L N 1.483 122.623 121.223 -0.138 0.000 2.010 72 L HA -0.242 4.097 4.340 -0.002 0.000 0.219 72 L C 2.508 179.258 176.870 -0.200 0.000 1.077 72 L CA 1.971 56.706 54.840 -0.175 0.000 0.773 72 L CB -1.057 40.898 42.059 -0.174 0.000 0.892 72 L HN 0.171 nan 8.230 nan 0.000 0.436 73 R N -1.234 119.162 120.500 -0.172 0.000 2.081 73 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 73 R C 2.194 178.408 176.300 -0.143 0.000 1.131 73 R CA 1.276 57.274 56.100 -0.170 0.000 0.960 73 R CB -0.729 29.501 30.300 -0.117 0.000 0.856 73 R HN 0.579 nan 8.270 nan 0.000 0.436 74 G N 0.370 109.099 108.800 -0.118 0.000 2.402 74 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.216 74 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.216 74 G C 1.449 176.286 174.900 -0.106 0.000 1.162 74 G CA 0.713 45.753 45.100 -0.099 0.000 0.777 74 G HN 0.193 nan 8.290 nan 0.000 0.539 75 R N 0.628 121.049 120.500 -0.130 0.000 2.092 75 R HA 0.106 4.445 4.340 -0.002 0.000 0.231 75 R C 2.360 178.583 176.300 -0.127 0.000 1.119 75 R CA 1.183 57.205 56.100 -0.131 0.000 0.970 75 R CB -0.625 29.574 30.300 -0.169 0.000 0.864 75 R HN 0.423 nan 8.270 nan 0.000 0.440 76 I N 0.094 120.551 120.570 -0.190 0.000 2.286 76 I HA -0.134 4.035 4.170 -0.002 0.000 0.245 76 I C 2.558 178.612 176.117 -0.105 0.000 1.104 76 I CA 0.949 62.116 61.300 -0.221 0.000 1.397 76 I CB -0.349 37.351 38.000 -0.500 0.000 1.072 76 I HN 0.212 nan 8.210 nan 0.000 0.417 77 R N 0.356 120.803 120.500 -0.088 0.000 2.249 77 R HA -0.167 4.172 4.340 -0.002 0.000 0.230 77 R C 2.241 178.554 176.300 0.022 0.000 1.121 77 R CA 1.433 57.519 56.100 -0.023 0.000 0.997 77 R CB -0.059 30.219 30.300 -0.037 0.000 0.867 77 R HN 0.247 nan 8.270 nan 0.000 0.465 78 S N 0.203 115.908 115.700 0.008 0.000 2.387 78 S HA -0.012 4.457 4.470 -0.002 0.000 0.221 78 S C 1.389 176.067 174.600 0.131 0.000 1.041 78 S CA 0.522 58.755 58.200 0.055 0.000 0.959 78 S CB -0.000 63.207 63.200 0.013 0.000 0.843 78 S HN 0.414 nan 8.310 nan 0.000 0.488 79 N N 1.984 120.759 118.700 0.125 0.000 2.149 79 N HA -0.024 4.714 4.740 -0.002 0.000 0.188 79 N C 1.729 177.384 175.510 0.242 0.000 1.019 79 N CA 1.295 54.489 53.050 0.239 0.000 0.857 79 N CB -0.601 37.969 38.487 0.138 0.000 0.997 79 N HN 0.451 nan 8.380 nan 0.000 0.426 80 I N 0.531 121.201 120.570 0.166 0.000 2.058 80 I HA -0.347 3.821 4.170 -0.002 0.000 0.235 80 I C 2.295 178.507 176.117 0.159 0.000 1.053 80 I CA 1.581 62.978 61.300 0.162 0.000 1.313 80 I CB -0.523 37.564 38.000 0.145 0.000 1.039 80 I HN 0.195 nan 8.210 nan 0.000 0.396 81 H N 0.768 119.875 119.070 0.061 0.000 2.444 81 H HA -0.244 4.310 4.556 -0.002 0.000 0.294 81 H C 2.041 177.380 175.328 0.019 0.000 1.125 81 H CA 2.355 58.422 56.048 0.033 0.000 1.230 81 H CB 0.038 29.806 29.762 0.011 0.000 1.361 81 H HN 0.424 nan 8.280 nan 0.000 0.508 82 E N -0.296 119.933 120.200 0.049 0.000 2.057 82 E HA -0.056 4.293 4.350 -0.002 0.000 0.190 82 E C 2.373 178.937 176.600 -0.060 0.000 0.969 82 E CA 0.465 56.804 56.400 -0.101 0.000 0.812 82 E CB -0.142 29.439 29.700 -0.198 0.000 0.777 82 E HN 0.389 nan 8.360 nan 0.000 0.455 83 L N 1.581 122.929 121.223 0.208 0.000 2.129 83 L HA -0.238 4.101 4.340 -0.002 0.000 0.212 83 L C 2.621 179.547 176.870 0.093 0.000 1.087 83 L CA 1.383 56.400 54.840 0.295 0.000 0.757 83 L CB -0.184 42.052 42.059 0.294 0.000 0.896 83 L HN 0.108 nan 8.230 nan 0.000 0.434 84 R N 0.023 120.541 120.500 0.031 0.000 2.066 84 R HA -0.162 4.177 4.340 -0.002 0.000 0.232 84 R C 2.303 178.555 176.300 -0.081 0.000 1.131 84 R CA 1.496 57.584 56.100 -0.021 0.000 0.955 84 R CB -0.216 30.066 30.300 -0.030 0.000 0.851 84 R HN 0.351 nan 8.270 nan 0.000 0.432 85 I N 0.835 121.308 120.570 -0.162 0.000 2.142 85 I HA -0.230 3.939 4.170 -0.002 0.000 0.240 85 I C 2.146 178.201 176.117 -0.103 0.000 1.078 85 I CA 1.311 62.513 61.300 -0.164 0.000 1.343 85 I CB -0.323 37.533 38.000 -0.240 0.000 1.046 85 I HN 0.290 nan 8.210 nan 0.000 0.405 86 A N -1.043 121.719 122.820 -0.096 0.000 2.272 86 A HA -0.207 4.111 4.320 -0.002 0.000 0.213 86 A C 2.126 179.697 177.584 -0.023 0.000 1.183 86 A CA 1.218 53.220 52.037 -0.059 0.000 0.719 86 A CB -0.965 18.002 19.000 -0.056 0.000 0.771 86 A HN 0.596 nan 8.150 nan 0.000 0.484 87 C N -1.985 117.298 119.300 -0.028 0.000 2.935 87 C HA 0.335 4.794 4.460 -0.002 0.000 0.308 87 C C 2.311 177.278 174.990 -0.039 0.000 1.263 87 C CA 0.126 59.130 59.018 -0.024 0.000 1.738 87 C CB -0.794 26.935 27.740 -0.018 0.000 2.237 87 C HN 0.668 nan 8.230 nan 0.000 0.600 88 L N 0.197 121.392 121.223 -0.047 0.000 2.127 88 L HA 0.038 4.376 4.340 -0.002 0.000 0.203 88 L C 2.553 179.398 176.870 -0.041 0.000 1.080 88 L CA 1.208 56.020 54.840 -0.046 0.000 0.768 88 L CB -0.507 41.522 42.059 -0.051 0.000 0.924 88 L HN 0.221 nan 8.230 nan 0.000 0.444 89 R N 0.172 120.647 120.500 -0.043 0.000 2.235 89 R HA -0.063 4.276 4.340 -0.002 0.000 0.213 89 R C 0.331 176.613 176.300 -0.030 0.000 1.059 89 R CA 0.331 56.409 56.100 -0.037 0.000 0.997 89 R CB -0.055 30.220 30.300 -0.043 0.000 0.884 89 R HN 0.290 nan 8.270 nan 0.000 0.462 90 E N -0.142 120.041 120.200 -0.028 0.000 3.253 90 E HA -0.227 4.122 4.350 -0.002 0.000 0.284 90 E C -0.459 176.133 176.600 -0.014 0.000 0.958 90 E CA 1.322 57.710 56.400 -0.021 0.000 0.917 90 E CB -1.516 28.171 29.700 -0.023 0.000 1.466 90 E HN 0.526 nan 8.360 nan 0.000 0.455 91 T N -2.257 112.287 114.554 -0.017 0.000 2.952 91 T HA 0.583 4.932 4.350 -0.002 0.000 0.305 91 T C -0.502 174.187 174.700 -0.017 0.000 1.064 91 T CA -0.510 61.583 62.100 -0.013 0.000 1.008 91 T CB 2.686 71.545 68.868 -0.016 0.000 1.078 91 T HN -0.047 nan 8.240 nan 0.000 0.459 92 T N 2.475 117.026 114.554 -0.005 0.000 2.971 92 T HA 0.511 4.860 4.350 -0.002 0.000 0.304 92 T C -1.422 173.277 174.700 -0.002 0.000 1.038 92 T CA -0.750 61.343 62.100 -0.012 0.000 1.007 92 T CB 1.599 70.483 68.868 0.026 0.000 1.055 92 T HN 0.646 nan 8.240 nan 0.000 0.451 93 D N 3.021 123.411 120.400 -0.017 0.000 2.634 93 D HA 0.414 5.053 4.640 -0.002 0.000 0.318 93 D C -0.660 175.637 176.300 -0.005 0.000 1.226 93 D CA -0.315 53.682 54.000 -0.006 0.000 0.899 93 D CB 0.295 41.088 40.800 -0.011 0.000 1.025 93 D HN 0.367 nan 8.370 nan 0.000 0.501 94 N N 0.410 119.121 118.700 0.018 0.000 2.999 94 N HA 0.139 4.878 4.740 -0.002 0.000 0.244 94 N C -2.182 173.392 175.510 0.108 0.000 1.106 94 N CA -0.774 52.300 53.050 0.039 0.000 1.018 94 N CB 2.072 40.563 38.487 0.006 0.000 1.600 94 N HN -0.160 nan 8.380 nan 0.000 0.621 95 P HA -0.367 nan 4.420 nan 0.000 0.252 95 P C 1.470 178.803 177.300 0.055 0.000 0.811 95 P CA 0.989 64.113 63.100 0.040 0.000 1.111 95 P CB 0.061 31.752 31.700 -0.015 0.000 0.781 96 L N -2.178 119.044 121.223 -0.002 0.000 2.056 96 L HA -0.356 3.983 4.340 -0.002 0.000 0.237 96 L C 2.589 179.387 176.870 -0.121 0.000 1.106 96 L CA 2.330 57.090 54.840 -0.134 0.000 0.829 96 L CB -1.150 40.703 42.059 -0.342 0.000 0.924 96 L HN 0.149 nan 8.230 nan 0.000 0.447 97 Y N -0.146 120.146 120.300 -0.014 0.000 2.241 97 Y HA -0.311 4.238 4.550 -0.002 0.000 0.286 97 Y C 2.583 178.476 175.900 -0.012 0.000 1.166 97 Y CA 1.720 59.814 58.100 -0.010 0.000 1.203 97 Y CB -0.596 37.858 38.460 -0.010 0.000 0.977 97 Y HN 0.417 nan 8.280 nan 0.000 0.529 98 E N 0.542 120.827 120.200 0.142 0.000 2.015 98 E HA -0.222 4.127 4.350 -0.002 0.000 0.191 98 E C 2.448 179.069 176.600 0.035 0.000 0.991 98 E CA 0.906 57.349 56.400 0.071 0.000 0.802 98 E CB -0.136 29.595 29.700 0.050 0.000 0.759 98 E HN 0.328 nan 8.360 nan 0.000 0.447 99 R N 0.194 120.703 120.500 0.015 0.000 2.117 99 R HA -0.151 4.188 4.340 -0.002 0.000 0.243 99 R C 2.527 178.824 176.300 -0.006 0.000 1.143 99 R CA 1.225 57.324 56.100 -0.002 0.000 0.968 99 R CB -0.217 30.073 30.300 -0.017 0.000 0.863 99 R HN 0.313 nan 8.270 nan 0.000 0.444 100 L N 0.313 121.527 121.223 -0.015 0.000 2.027 100 L HA -0.207 4.132 4.340 -0.002 0.000 0.206 100 L C 2.469 179.345 176.870 0.009 0.000 1.074 100 L CA 1.116 55.947 54.840 -0.015 0.000 0.745 100 L CB -0.411 41.623 42.059 -0.042 0.000 0.898 100 L HN 0.299 nan 8.230 nan 0.000 0.433 101 L N -0.159 121.081 121.223 0.028 0.000 2.043 101 L HA -0.277 4.062 4.340 -0.002 0.000 0.212 101 L C 2.609 179.486 176.870 0.012 0.000 1.075 101 L CA 1.543 56.398 54.840 0.026 0.000 0.752 101 L CB -0.450 41.630 42.059 0.035 0.000 0.891 101 L HN 0.365 nan 8.230 nan 0.000 0.432 102 E N -0.444 119.762 120.200 0.010 0.000 2.118 102 E HA -0.301 4.048 4.350 -0.002 0.000 0.195 102 E C 1.962 178.564 176.600 0.004 0.000 0.992 102 E CA 1.419 57.822 56.400 0.005 0.000 0.804 102 E CB -0.067 29.636 29.700 0.005 0.000 0.741 102 E HN 0.446 nan 8.360 nan 0.000 0.458 103 E N 0.488 120.691 120.200 0.004 0.000 2.216 103 E HA 0.002 4.350 4.350 -0.002 0.000 0.192 103 E C 0.481 177.087 176.600 0.009 0.000 0.988 103 E CA 0.088 56.492 56.400 0.006 0.000 0.834 103 E CB 0.211 29.914 29.700 0.005 0.000 0.772 103 E HN 0.126 nan 8.360 nan 0.000 0.479 104 I N 0.896 121.470 120.570 0.007 0.000 2.836 104 I HA -0.062 4.107 4.170 -0.002 0.000 0.285 104 I C 0.463 176.573 176.117 -0.010 0.000 1.174 104 I CA 0.489 61.790 61.300 0.001 0.000 1.405 104 I CB 0.609 38.606 38.000 -0.005 0.000 1.385 104 I HN -0.020 nan 8.210 nan 0.000 0.594 105 D N 1.151 121.539 120.400 -0.021 0.000 2.474 105 D HA 0.055 4.694 4.640 -0.002 0.000 0.213 105 D C -0.358 175.909 176.300 -0.054 0.000 1.120 105 D CA 0.393 54.376 54.000 -0.029 0.000 0.836 105 D CB 0.455 41.246 40.800 -0.015 0.000 1.019 105 D HN 0.428 nan 8.370 nan 0.000 0.507 106 D N -0.188 120.160 120.400 -0.086 0.000 3.118 106 D HA 0.065 4.704 4.640 -0.002 0.000 0.259 106 D C 0.812 177.029 176.300 -0.140 0.000 1.292 106 D CA -0.174 53.755 54.000 -0.117 0.000 0.784 106 D CB 0.181 40.886 40.800 -0.159 0.000 1.413 106 D HN -0.334 nan 8.370 nan 0.000 0.583 107 K N 0.649 120.993 120.400 -0.093 0.000 2.148 107 K HA -0.206 4.113 4.320 -0.002 0.000 0.213 107 K C 1.926 178.461 176.600 -0.109 0.000 1.050 107 K CA 1.867 58.105 56.287 -0.082 0.000 0.932 107 K CB -0.547 31.922 32.500 -0.052 0.000 0.717 107 K HN 0.408 nan 8.250 nan 0.000 0.462 108 A N 0.460 123.211 122.820 -0.115 0.000 1.940 108 A HA -0.267 4.052 4.320 -0.002 0.000 0.219 108 A C 2.230 179.705 177.584 -0.182 0.000 1.176 108 A CA 1.844 53.809 52.037 -0.121 0.000 0.631 108 A CB -0.424 18.515 19.000 -0.102 0.000 0.814 108 A HN 0.440 nan 8.150 nan 0.000 0.446 109 Q N -1.134 118.497 119.800 -0.281 0.000 2.062 109 Q HA 0.003 4.341 4.340 -0.002 0.000 0.196 109 Q C 2.456 178.114 176.000 -0.570 0.000 0.967 109 Q CA 0.959 56.459 55.803 -0.505 0.000 0.832 109 Q CB -0.283 28.024 28.738 -0.719 0.000 0.899 109 Q HN 0.640 nan 8.270 nan 0.000 0.442 110 A N 1.328 123.910 122.820 -0.396 0.000 1.869 110 A HA -0.274 4.045 4.320 -0.002 0.000 0.218 110 A C 2.281 179.828 177.584 -0.062 0.000 1.203 110 A CA 2.159 54.093 52.037 -0.170 0.000 0.638 110 A CB -1.254 17.708 19.000 -0.063 0.000 0.831 110 A HN 0.504 nan 8.150 nan 0.000 0.450 111 A N -1.681 121.095 122.820 -0.074 0.000 2.148 111 A HA -0.242 4.077 4.320 -0.002 0.000 0.222 111 A C 2.051 179.631 177.584 -0.006 0.000 1.161 111 A CA 2.466 54.484 52.037 -0.032 0.000 0.662 111 A CB -0.404 18.566 19.000 -0.050 0.000 0.799 111 A HN 0.642 nan 8.150 nan 0.000 0.466 112 Q N -1.976 117.805 119.800 -0.032 0.000 2.304 112 Q HA 0.016 4.355 4.340 -0.002 0.000 0.204 112 Q C 1.679 177.794 176.000 0.192 0.000 0.936 112 Q CA 0.867 56.692 55.803 0.037 0.000 0.878 112 Q CB -0.312 28.417 28.738 -0.015 0.000 0.983 112 Q HN 0.665 nan 8.270 nan 0.000 0.516 113 W N 0.944 122.250 121.300 0.009 0.000 2.333 113 W HA -0.101 4.557 4.660 -0.002 0.000 0.316 113 W C 1.901 178.430 176.519 0.016 0.000 1.215 113 W CA 0.791 58.142 57.345 0.010 0.000 1.278 113 W CB -1.167 28.296 29.460 0.005 0.000 1.154 113 W HN 0.209 nan 8.180 nan 0.000 0.486 114 L N -0.185 121.193 121.223 0.259 0.000 1.990 114 L HA -0.273 4.066 4.340 -0.002 0.000 0.213 114 L C 2.554 179.501 176.870 0.129 0.000 1.072 114 L CA 1.539 56.477 54.840 0.163 0.000 0.755 114 L CB -1.490 40.641 42.059 0.121 0.000 0.889 114 L HN -0.031 nan 8.230 nan 0.000 0.432 115 L N -0.284 121.003 121.223 0.106 0.000 2.137 115 L HA -0.253 4.086 4.340 -0.002 0.000 0.213 115 L C 2.333 179.259 176.870 0.094 0.000 1.085 115 L CA 1.630 56.522 54.840 0.088 0.000 0.760 115 L CB -0.219 41.880 42.059 0.066 0.000 0.893 115 L HN 0.148 nan 8.230 nan 0.000 0.434 116 L N -0.876 120.414 121.223 0.111 0.000 2.044 116 L HA -0.114 4.224 4.340 -0.002 0.000 0.205 116 L C 2.789 179.707 176.870 0.081 0.000 1.075 116 L CA 1.049 55.945 54.840 0.093 0.000 0.747 116 L CB -1.016 41.104 42.059 0.102 0.000 0.903 116 L HN 0.355 nan 8.230 nan 0.000 0.435 117 A N -0.162 122.712 122.820 0.091 0.000 1.908 117 A HA -0.278 4.041 4.320 -0.002 0.000 0.218 117 A C 2.253 179.892 177.584 0.092 0.000 1.181 117 A CA 1.985 54.075 52.037 0.088 0.000 0.627 117 A CB -0.576 18.487 19.000 0.105 0.000 0.818 117 A HN 0.470 nan 8.150 nan 0.000 0.445 118 E N -0.434 119.824 120.200 0.097 0.000 2.058 118 E HA -0.219 4.130 4.350 -0.002 0.000 0.194 118 E C 2.281 178.923 176.600 0.070 0.000 0.997 118 E CA 1.194 57.649 56.400 0.092 0.000 0.801 118 E CB -0.098 29.671 29.700 0.115 0.000 0.746 118 E HN 0.592 nan 8.360 nan 0.000 0.450 119 R N -0.214 120.327 120.500 0.067 0.000 2.148 119 R HA -0.094 4.244 4.340 -0.002 0.000 0.227 119 R C 2.360 178.689 176.300 0.048 0.000 1.103 119 R CA 0.880 57.012 56.100 0.053 0.000 0.983 119 R CB -0.004 30.328 30.300 0.052 0.000 0.874 119 R HN 0.171 nan 8.270 nan 0.000 0.451 120 Q N -0.134 119.698 119.800 0.054 0.000 2.269 120 Q HA 0.044 4.383 4.340 -0.002 0.000 0.201 120 Q C 1.972 178.003 176.000 0.053 0.000 0.946 120 Q CA 0.673 56.508 55.803 0.053 0.000 0.877 120 Q CB 0.014 28.786 28.738 0.055 0.000 0.963 120 Q HN 0.229 nan 8.270 nan 0.000 0.472 121 M N 1.813 121.443 119.600 0.049 0.000 2.201 121 M HA -0.232 4.247 4.480 -0.002 0.000 0.251 121 M C 1.085 177.402 176.300 0.029 0.000 1.090 121 M CA 1.588 56.908 55.300 0.033 0.000 1.063 121 M CB -1.368 31.241 32.600 0.015 0.000 1.360 121 M HN 0.287 nan 8.290 nan 0.000 0.401 122 D N -0.495 119.926 120.400 0.035 0.000 2.400 122 D HA -0.137 4.501 4.640 -0.002 0.000 0.242 122 D C 0.524 176.864 176.300 0.067 0.000 1.077 122 D CA 0.699 54.724 54.000 0.041 0.000 0.943 122 D CB -0.397 40.424 40.800 0.036 0.000 0.882 122 D HN 0.544 nan 8.370 nan 0.000 0.529 123 E N -0.990 119.256 120.200 0.077 0.000 2.835 123 E HA 0.250 4.599 4.350 -0.002 0.000 0.183 123 E C -0.287 176.387 176.600 0.125 0.000 0.934 123 E CA -0.345 56.129 56.400 0.123 0.000 1.324 123 E CB 1.014 30.784 29.700 0.117 0.000 1.038 123 E HN 0.266 nan 8.360 nan 0.000 0.481 124 A N 1.253 124.109 122.820 0.061 0.000 2.561 124 A HA 0.309 4.628 4.320 -0.002 0.000 0.234 124 A C 0.934 178.460 177.584 -0.097 0.000 1.055 124 A CA 0.665 52.712 52.037 0.016 0.000 0.756 124 A CB 0.160 19.137 19.000 -0.038 0.000 0.986 124 A HN 0.282 nan 8.150 nan 0.000 0.505 125 A N 2.881 125.616 122.820 -0.141 0.000 3.029 125 A HA 0.459 4.778 4.320 -0.002 0.000 0.251 125 A C 0.029 176.930 177.584 -1.138 0.000 1.749 125 A CA -0.131 51.549 52.037 -0.595 0.000 1.386 125 A CB -0.924 18.089 19.000 0.023 0.000 1.043 125 A HN 0.870 nan 8.150 nan 0.000 0.638 126 V N 1.869 121.186 119.914 -0.995 0.000 2.313 126 V HA 0.578 4.697 4.120 -0.002 0.000 0.278 126 V C -0.689 175.062 176.094 -0.573 0.000 1.017 126 V CA -0.279 61.623 62.300 -0.664 0.000 0.823 126 V CB -0.181 31.441 31.823 -0.335 0.000 1.010 126 V HN 0.499 nan 8.190 nan 0.000 0.443 127 F N 1.272 121.216 119.950 -0.011 0.000 2.664 127 F HA 0.769 5.295 4.527 -0.002 0.000 0.329 127 F C 0.627 176.432 175.800 0.008 0.000 1.090 127 F CA -1.097 56.920 58.000 0.028 0.000 0.978 127 F CB 1.474 40.541 39.000 0.112 0.000 1.378 127 F HN 0.421 nan 8.300 nan 0.000 0.495 128 T N -1.187 113.515 114.554 0.246 0.000 2.881 128 T HA 0.385 4.734 4.350 -0.002 0.000 0.278 128 T C 1.153 175.939 174.700 0.143 0.000 0.982 128 T CA -0.658 61.495 62.100 0.088 0.000 0.989 128 T CB 0.683 69.539 68.868 -0.020 0.000 1.058 128 T HN 0.409 nan 8.240 nan 0.000 0.529 129 I N 0.852 121.445 120.570 0.038 0.000 2.264 129 I HA -0.162 4.007 4.170 -0.002 0.000 0.248 129 I C 2.407 178.582 176.117 0.097 0.000 1.111 129 I CA 1.611 62.964 61.300 0.089 0.000 1.382 129 I CB -1.571 36.393 38.000 -0.060 0.000 1.060 129 I HN 0.716 nan 8.210 nan 0.000 0.418 130 H N 0.583 119.740 119.070 0.146 0.000 2.403 130 H HA 0.056 4.610 4.556 -0.002 0.000 0.298 130 H C 2.397 177.797 175.328 0.119 0.000 1.059 130 H CA 1.275 57.391 56.048 0.114 0.000 1.363 130 H CB -0.594 29.163 29.762 -0.008 0.000 1.410 130 H HN 0.319 nan 8.280 nan 0.000 0.528 131 G N 0.503 109.437 108.800 0.223 0.000 2.421 131 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.216 131 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.216 131 G C 1.726 176.645 174.900 0.032 0.000 1.171 131 G CA 0.518 45.686 45.100 0.113 0.000 0.775 131 G HN 0.420 nan 8.290 nan 0.000 0.543 132 F N 0.841 120.818 119.950 0.045 0.000 2.161 132 F HA -0.168 4.358 4.527 -0.002 0.000 0.300 132 F C 2.639 178.467 175.800 0.046 0.000 1.089 132 F CA 1.507 59.540 58.000 0.055 0.000 1.282 132 F CB -0.128 39.006 39.000 0.223 0.000 1.010 132 F HN 0.196 nan 8.300 nan 0.000 0.485 133 C N 1.175 120.455 119.300 -0.033 0.000 2.476 133 C HA -0.175 4.284 4.460 -0.002 0.000 0.278 133 C C 2.848 177.754 174.990 -0.140 0.000 1.274 133 C CA 1.238 60.169 59.018 -0.145 0.000 1.713 133 C CB -1.308 26.470 27.740 0.063 0.000 2.039 133 C HN 0.663 nan 8.230 nan 0.000 0.484 134 Q N 0.507 120.276 119.800 -0.051 0.000 2.364 134 Q HA -0.142 4.197 4.340 -0.002 0.000 0.207 134 Q C 1.957 177.892 176.000 -0.108 0.000 0.970 134 Q CA 1.247 57.017 55.803 -0.056 0.000 0.888 134 Q CB -0.288 28.447 28.738 -0.005 0.000 0.951 134 Q HN 0.601 nan 8.270 nan 0.000 0.469 135 R N -0.255 120.140 120.500 -0.175 0.000 2.052 135 R HA 0.029 4.368 4.340 -0.002 0.000 0.226 135 R C 2.097 178.304 176.300 -0.156 0.000 1.145 135 R CA 1.461 57.454 56.100 -0.179 0.000 0.952 135 R CB -0.050 30.090 30.300 -0.268 0.000 0.847 135 R HN 0.207 nan 8.270 nan 0.000 0.431 136 M N 0.249 119.690 119.600 -0.265 0.000 2.149 136 M HA -0.135 4.344 4.480 -0.002 0.000 0.261 136 M C 1.860 178.076 176.300 -0.139 0.000 1.064 136 M CA 1.350 56.525 55.300 -0.209 0.000 1.102 136 M CB -0.736 31.630 32.600 -0.390 0.000 1.369 136 M HN 0.095 nan 8.290 nan 0.000 0.408 137 L N 0.329 121.464 121.223 -0.146 0.000 1.943 137 L HA -0.216 4.123 4.340 -0.002 0.000 0.215 137 L C 2.049 178.866 176.870 -0.089 0.000 1.074 137 L CA 1.912 56.690 54.840 -0.103 0.000 0.759 137 L CB -1.425 40.578 42.059 -0.093 0.000 0.888 137 L HN 0.276 nan 8.230 nan 0.000 0.433 138 N N -1.051 117.602 118.700 -0.078 0.000 2.132 138 N HA -0.220 4.519 4.740 -0.002 0.000 0.191 138 N C 1.616 177.111 175.510 -0.025 0.000 1.015 138 N CA 1.078 54.101 53.050 -0.046 0.000 0.864 138 N CB -0.337 38.134 38.487 -0.028 0.000 1.006 138 N HN 0.103 nan 8.380 nan 0.000 0.430 139 L N 0.847 122.047 121.223 -0.038 0.000 1.988 139 L HA -0.021 4.318 4.340 -0.002 0.000 0.207 139 L C 0.490 177.335 176.870 -0.040 0.000 1.071 139 L CA 1.554 56.376 54.840 -0.029 0.000 0.744 139 L CB -0.610 41.438 42.059 -0.018 0.000 0.893 139 L HN 0.256 nan 8.230 nan 0.000 0.433 140 N N 0.008 118.684 118.700 -0.040 0.000 2.802 140 N HA 0.145 4.883 4.740 -0.002 0.000 0.288 140 N C 1.313 176.785 175.510 -0.064 0.000 1.268 140 N CA 0.636 53.671 53.050 -0.026 0.000 1.035 140 N CB 0.459 38.947 38.487 0.001 0.000 1.353 140 N HN 0.219 nan 8.380 nan 0.000 0.522 141 A N 0.307 123.037 122.820 -0.150 0.000 2.032 141 A HA -0.146 4.173 4.320 -0.002 0.000 0.221 141 A C 1.698 179.161 177.584 -0.200 0.000 1.165 141 A CA 1.089 52.982 52.037 -0.240 0.000 0.645 141 A CB -0.684 18.117 19.000 -0.331 0.000 0.807 141 A HN 0.381 nan 8.150 nan 0.000 0.453 142 F N -0.513 119.464 119.950 0.045 0.000 2.259 142 F HA -0.098 4.428 4.527 -0.002 0.000 0.298 142 F C 2.454 178.254 175.800 -0.000 0.000 1.088 142 F CA 1.102 59.119 58.000 0.028 0.000 1.358 142 F CB -0.079 38.955 39.000 0.056 0.000 1.040 142 F HN 0.205 nan 8.300 nan 0.000 0.505 143 E N 0.299 120.604 120.200 0.174 0.000 2.051 143 E HA -0.149 4.199 4.350 -0.002 0.000 0.189 143 E C 2.313 178.938 176.600 0.041 0.000 0.979 143 E CA 1.526 57.981 56.400 0.091 0.000 0.803 143 E CB -0.437 29.300 29.700 0.061 0.000 0.761 143 E HN 0.242 nan 8.360 nan 0.000 0.451 144 S N -0.680 115.024 115.700 0.007 0.000 2.419 144 S HA -0.025 4.444 4.470 -0.002 0.000 0.233 144 S C 1.873 176.452 174.600 -0.035 0.000 1.016 144 S CA 0.912 59.096 58.200 -0.026 0.000 0.974 144 S CB -0.365 62.800 63.200 -0.058 0.000 0.786 144 S HN 0.433 nan 8.310 nan 0.000 0.492 145 G N 0.845 109.624 108.800 -0.034 0.000 2.157 145 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.248 145 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.248 145 G C 0.126 174.951 174.900 -0.124 0.000 0.979 145 G CA 0.271 45.343 45.100 -0.046 0.000 0.650 145 G HN 0.417 nan 8.290 nan 0.000 0.529 146 M N 0.056 119.546 119.600 -0.182 0.000 2.240 146 M HA 0.349 4.828 4.480 -0.002 0.000 0.317 146 M C 1.211 177.255 176.300 -0.426 0.000 1.087 146 M CA 0.282 55.432 55.300 -0.250 0.000 1.176 146 M CB 0.241 32.702 32.600 -0.232 0.000 1.439 146 M HN 0.143 nan 8.290 nan 0.000 0.452 147 L N 0.674 121.681 121.223 -0.360 0.000 2.399 147 L HA 0.225 4.563 4.340 -0.002 0.000 0.265 147 L C 0.755 177.327 176.870 -0.496 0.000 1.089 147 L CA -0.305 54.281 54.840 -0.424 0.000 0.802 147 L CB 0.702 42.644 42.059 -0.194 0.000 1.180 147 L HN 0.607 nan 8.230 nan 0.000 0.454 148 F N -0.427 119.486 119.950 -0.062 0.000 2.456 148 F HA 0.023 4.549 4.527 -0.002 0.000 0.298 148 F C 0.653 176.421 175.800 -0.053 0.000 1.104 148 F CA 0.266 58.223 58.000 -0.072 0.000 1.435 148 F CB 0.318 39.276 39.000 -0.071 0.000 1.078 148 F HN 0.462 nan 8.300 nan 0.000 0.546 149 E N 1.070 121.308 120.200 0.064 0.000 2.346 149 E HA 0.196 4.544 4.350 -0.002 0.000 0.239 149 E C -0.480 176.112 176.600 -0.015 0.000 0.943 149 E CA -0.449 55.971 56.400 0.034 0.000 0.751 149 E CB 0.921 30.651 29.700 0.050 0.000 1.241 149 E HN 0.048 nan 8.360 nan 0.000 0.423 150 Q N 1.364 121.147 119.800 -0.029 0.000 2.215 150 Q HA 0.357 4.696 4.340 -0.002 0.000 0.256 150 Q C -0.508 175.467 176.000 -0.042 0.000 0.972 150 Q CA -0.469 55.305 55.803 -0.048 0.000 0.889 150 Q CB 2.083 30.783 28.738 -0.064 0.000 1.281 150 Q HN 0.460 nan 8.270 nan 0.000 0.456 151 Q N 1.442 121.211 119.800 -0.052 0.000 2.341 151 Q HA 0.292 4.631 4.340 -0.002 0.000 0.268 151 Q C -0.739 175.211 176.000 -0.083 0.000 1.013 151 Q CA -0.631 55.140 55.803 -0.053 0.000 0.798 151 Q CB 1.577 30.289 28.738 -0.042 0.000 1.253 151 Q HN 0.334 nan 8.270 nan 0.000 0.457 152 L N 5.781 126.945 121.223 -0.099 0.000 2.617 152 L HA 0.109 4.448 4.340 -0.002 0.000 0.282 152 L C -0.193 176.559 176.870 -0.196 0.000 1.174 152 L CA 0.274 55.011 54.840 -0.171 0.000 1.016 152 L CB -0.537 41.418 42.059 -0.173 0.000 1.337 152 L HN 0.644 nan 8.230 nan 0.000 0.460 153 I N 4.870 125.325 120.570 -0.191 0.000 2.775 153 I HA -0.060 4.109 4.170 -0.002 0.000 0.290 153 I C 1.559 177.537 176.117 -0.231 0.000 1.203 153 I CA 0.633 61.836 61.300 -0.163 0.000 1.433 153 I CB 0.627 38.549 38.000 -0.130 0.000 1.354 153 I HN 0.687 nan 8.210 nan 0.000 0.579 154 E N 6.114 126.223 120.200 -0.151 0.000 2.152 154 E HA -0.046 4.302 4.350 -0.002 0.000 0.195 154 E C 0.705 177.264 176.600 -0.068 0.000 0.934 154 E CA 0.560 56.881 56.400 -0.131 0.000 0.869 154 E CB -0.789 28.878 29.700 -0.055 0.000 0.842 154 E HN 0.734 nan 8.360 nan 0.000 0.472 155 D N 1.062 121.438 120.400 -0.040 0.000 1.825 155 D HA -0.133 4.506 4.640 -0.002 0.000 0.312 155 D C 0.485 176.773 176.300 -0.021 0.000 1.066 155 D CA 0.569 54.560 54.000 -0.015 0.000 0.826 155 D CB -0.075 40.719 40.800 -0.010 0.000 1.144 155 D HN 0.280 nan 8.370 nan 0.000 0.392 156 E N -2.220 117.971 120.200 -0.015 0.000 4.287 156 E HA -0.149 4.200 4.350 -0.002 0.000 0.423 156 E C 1.410 178.013 176.600 0.005 0.000 0.527 156 E CA 0.738 57.131 56.400 -0.011 0.000 1.509 156 E CB -1.564 28.126 29.700 -0.017 0.000 1.968 156 E HN 0.415 nan 8.360 nan 0.000 0.308 157 S N 0.294 115.999 115.700 0.009 0.000 2.425 157 S HA 0.067 4.536 4.470 -0.002 0.000 0.225 157 S C 1.839 176.461 174.600 0.037 0.000 1.024 157 S CA 0.645 58.854 58.200 0.016 0.000 0.951 157 S CB -0.057 63.144 63.200 0.003 0.000 0.796 157 S HN 0.272 nan 8.310 nan 0.000 0.498 158 L N 0.641 121.881 121.223 0.028 0.000 2.307 158 L HA 0.206 4.545 4.340 -0.002 0.000 0.211 158 L C 2.560 179.474 176.870 0.074 0.000 1.099 158 L CA 0.238 55.111 54.840 0.057 0.000 0.816 158 L CB -0.414 41.656 42.059 0.018 0.000 0.952 158 L HN 0.288 nan 8.230 nan 0.000 0.455 159 L N 0.593 121.837 121.223 0.035 0.000 2.093 159 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 159 L C 2.591 179.472 176.870 0.018 0.000 1.085 159 L CA 1.717 56.569 54.840 0.019 0.000 0.755 159 L CB -0.664 41.394 42.059 -0.002 0.000 0.904 159 L HN 0.279 nan 8.230 nan 0.000 0.435 160 R N -1.620 118.895 120.500 0.026 0.000 2.062 160 R HA -0.240 4.099 4.340 -0.002 0.000 0.231 160 R C 2.361 178.674 176.300 0.020 0.000 1.136 160 R CA 1.775 57.882 56.100 0.011 0.000 0.948 160 R CB -0.530 29.778 30.300 0.013 0.000 0.845 160 R HN 0.327 nan 8.270 nan 0.000 0.430 161 Y N 1.515 121.787 120.300 -0.046 0.000 2.128 161 Y HA -0.315 4.233 4.550 -0.002 0.000 0.284 161 Y C 2.418 178.296 175.900 -0.037 0.000 1.154 161 Y CA 2.157 60.227 58.100 -0.051 0.000 1.149 161 Y CB -0.373 38.055 38.460 -0.053 0.000 0.976 161 Y HN 0.173 nan 8.280 nan 0.000 0.505 162 Q N -0.370 119.411 119.800 -0.032 0.000 2.124 162 Q HA -0.200 4.138 4.340 -0.002 0.000 0.202 162 Q C 2.319 178.240 176.000 -0.132 0.000 0.977 162 Q CA 1.466 57.210 55.803 -0.099 0.000 0.850 162 Q CB -0.326 28.417 28.738 0.009 0.000 0.901 162 Q HN 0.602 nan 8.270 nan 0.000 0.429 163 A N -0.026 122.743 122.820 -0.085 0.000 1.930 163 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 163 A C 2.316 179.863 177.584 -0.062 0.000 1.175 163 A CA 1.348 53.354 52.037 -0.051 0.000 0.627 163 A CB -1.209 17.769 19.000 -0.036 0.000 0.815 163 A HN 0.641 nan 8.150 nan 0.000 0.443 164 C N -0.885 118.321 119.300 -0.156 0.000 2.440 164 C HA 0.128 4.587 4.460 -0.002 0.000 0.278 164 C C 3.163 178.066 174.990 -0.146 0.000 1.295 164 C CA 1.091 60.008 59.018 -0.167 0.000 1.738 164 C CB -1.243 26.339 27.740 -0.263 0.000 1.987 164 C HN 0.657 nan 8.230 nan 0.000 0.492 165 A N 0.167 122.788 122.820 -0.331 0.000 1.872 165 A HA -0.093 4.225 4.320 -0.002 0.000 0.214 165 A C 1.821 179.368 177.584 -0.062 0.000 1.187 165 A CA 1.973 53.865 52.037 -0.243 0.000 0.614 165 A CB -0.739 18.057 19.000 -0.340 0.000 0.826 165 A HN 0.553 nan 8.150 nan 0.000 0.442 166 D N -0.769 119.599 120.400 -0.054 0.000 2.149 166 D HA -0.191 4.447 4.640 -0.002 0.000 0.194 166 D C 1.530 177.854 176.300 0.040 0.000 1.001 166 D CA 1.461 55.453 54.000 -0.014 0.000 0.849 166 D CB -0.465 40.339 40.800 0.006 0.000 0.939 166 D HN 0.468 nan 8.370 nan 0.000 0.449 167 F N -0.394 119.537 119.950 -0.033 0.000 2.069 167 F HA -0.190 4.336 4.527 -0.002 0.000 0.298 167 F C 2.188 178.023 175.800 0.059 0.000 1.113 167 F CA 1.516 59.522 58.000 0.010 0.000 1.214 167 F CB -0.560 38.400 39.000 -0.067 0.000 0.978 167 F HN -0.001 nan 8.300 nan 0.000 0.474 168 W N 1.655 122.901 121.300 -0.092 0.000 2.335 168 W HA -0.177 4.481 4.660 -0.002 0.000 0.311 168 W C 2.719 178.974 176.519 -0.440 0.000 1.213 168 W CA 2.567 59.781 57.345 -0.219 0.000 1.274 168 W CB -0.419 28.954 29.460 -0.146 0.000 1.148 168 W HN -0.069 nan 8.180 nan 0.000 0.498 169 R N -0.091 120.240 120.500 -0.282 0.000 2.088 169 R HA -0.209 4.130 4.340 -0.002 0.000 0.232 169 R C 2.173 178.216 176.300 -0.428 0.000 1.136 169 R CA 2.232 57.905 56.100 -0.712 0.000 0.926 169 R CB -1.008 29.040 30.300 -0.421 0.000 0.837 169 R HN 0.275 nan 8.270 nan 0.000 0.429 170 R N -0.074 120.265 120.500 -0.269 0.000 2.316 170 R HA -0.054 4.285 4.340 -0.002 0.000 0.202 170 R C 0.637 176.664 176.300 -0.454 0.000 1.029 170 R CA 1.520 57.457 56.100 -0.272 0.000 1.018 170 R CB -0.135 30.043 30.300 -0.203 0.000 0.888 170 R HN 0.398 nan 8.270 nan 0.000 0.471 171 H N -1.787 116.967 119.070 -0.526 0.000 2.986 171 H HA 0.283 4.838 4.556 -0.002 0.000 0.267 171 H C 0.750 175.787 175.328 -0.485 0.000 1.072 171 H CA 0.131 55.843 56.048 -0.560 0.000 1.202 171 H CB 0.849 30.045 29.762 -0.943 0.000 1.535 171 H HN 0.196 nan 8.280 nan 0.000 0.522 172 C N -1.491 117.543 119.300 -0.444 0.000 2.544 172 C HA 0.107 4.566 4.460 -0.002 0.000 0.475 172 C C 2.097 177.015 174.990 -0.120 0.000 1.360 172 C CA -0.251 58.490 59.018 -0.462 0.000 2.555 172 C CB -0.593 26.464 27.740 -1.139 0.000 3.012 172 C HN 0.566 nan 8.230 nan 0.000 0.552 173 Y N 2.660 122.824 120.300 -0.226 0.000 2.014 173 Y HA -0.195 4.354 4.550 -0.002 0.000 0.272 173 Y C 0.260 176.095 175.900 -0.109 0.000 1.164 173 Y CA 1.486 59.524 58.100 -0.103 0.000 1.114 173 Y CB -1.873 36.564 38.460 -0.037 0.000 0.961 173 Y HN 0.312 nan 8.280 nan 0.000 0.489 174 P HA -0.151 nan 4.420 nan 0.000 0.224 174 P C -0.150 177.123 177.300 -0.045 0.000 1.142 174 P CA 1.139 64.227 63.100 -0.020 0.000 0.778 174 P CB -0.334 31.327 31.700 -0.064 0.000 0.764 175 L N 2.427 123.617 121.223 -0.054 0.000 2.426 175 L HA 0.221 4.559 4.340 -0.002 0.000 0.271 175 L C -1.577 175.268 176.870 -0.043 0.000 1.169 175 L CA -1.969 52.837 54.840 -0.057 0.000 0.836 175 L CB -0.407 41.609 42.059 -0.071 0.000 1.112 175 L HN -0.067 nan 8.230 nan 0.000 0.465 176 P HA 0.122 nan 4.420 nan 0.000 0.281 176 P C 0.097 177.383 177.300 -0.025 0.000 1.252 176 P CA -0.648 62.430 63.100 -0.037 0.000 0.778 176 P CB 1.346 33.017 31.700 -0.047 0.000 0.895 177 R N 4.336 124.823 120.500 -0.021 0.000 2.279 177 R HA -0.277 4.061 4.340 -0.002 0.000 0.264 177 R C 1.841 178.147 176.300 0.011 0.000 1.138 177 R CA 2.877 58.969 56.100 -0.013 0.000 0.981 177 R CB -1.228 29.063 30.300 -0.016 0.000 0.909 177 R HN 0.713 nan 8.270 nan 0.000 0.462 178 E N -0.599 119.624 120.200 0.037 0.000 2.031 178 E HA -0.175 4.173 4.350 -0.002 0.000 0.193 178 E C 2.227 178.925 176.600 0.164 0.000 0.994 178 E CA 1.694 58.168 56.400 0.124 0.000 0.800 178 E CB -0.580 29.227 29.700 0.178 0.000 0.752 178 E HN 0.461 nan 8.360 nan 0.000 0.447 179 I N 1.829 122.477 120.570 0.131 0.000 2.179 179 I HA -0.254 3.915 4.170 -0.002 0.000 0.242 179 I C 2.856 178.973 176.117 -0.000 0.000 1.088 179 I CA 1.022 62.415 61.300 0.154 0.000 1.357 179 I CB -0.706 37.366 38.000 0.120 0.000 1.051 179 I HN 0.212 nan 8.210 nan 0.000 0.409 180 A N 0.737 123.555 122.820 -0.002 0.000 1.884 180 A HA -0.366 3.953 4.320 -0.002 0.000 0.219 180 A C 2.333 179.941 177.584 0.040 0.000 1.197 180 A CA 2.561 54.599 52.037 0.002 0.000 0.637 180 A CB -1.036 17.961 19.000 -0.005 0.000 0.827 180 A HN 0.572 nan 8.150 nan 0.000 0.450 181 Q N -0.537 119.267 119.800 0.007 0.000 2.181 181 Q HA -0.127 4.212 4.340 -0.002 0.000 0.205 181 Q C 1.864 177.877 176.000 0.023 0.000 0.980 181 Q CA 1.933 57.755 55.803 0.031 0.000 0.862 181 Q CB -0.290 28.444 28.738 -0.008 0.000 0.905 181 Q HN 0.412 nan 8.270 nan 0.000 0.429 182 V N -0.300 119.504 119.914 -0.184 0.000 2.261 182 V HA -0.264 3.855 4.120 -0.002 0.000 0.246 182 V C 2.297 178.246 176.094 -0.242 0.000 1.047 182 V CA 1.645 63.669 62.300 -0.461 0.000 1.015 182 V CB -0.556 30.627 31.823 -1.068 0.000 0.642 182 V HN 0.298 nan 8.190 nan 0.000 0.446 183 V N -0.177 119.682 119.914 -0.090 0.000 2.231 183 V HA -0.338 3.781 4.120 -0.002 0.000 0.248 183 V C 2.223 178.423 176.094 0.177 0.000 1.054 183 V CA 2.683 65.033 62.300 0.082 0.000 1.015 183 V CB -0.940 30.962 31.823 0.132 0.000 0.638 183 V HN 0.583 nan 8.190 nan 0.000 0.444 184 F N 1.299 121.310 119.950 0.102 0.000 2.141 184 F HA -0.286 4.240 4.527 -0.002 0.000 0.300 184 F C 2.319 178.160 175.800 0.068 0.000 1.079 184 F CA 2.361 60.460 58.000 0.164 0.000 1.264 184 F CB -0.264 38.810 39.000 0.124 0.000 1.011 184 F HN 0.268 nan 8.300 nan 0.000 0.487 185 E N -0.966 119.210 120.200 -0.041 0.000 2.418 185 E HA -0.100 4.248 4.350 -0.002 0.000 0.197 185 E C 1.864 178.274 176.600 -0.318 0.000 1.026 185 E CA 1.197 57.477 56.400 -0.201 0.000 0.862 185 E CB -0.045 29.622 29.700 -0.056 0.000 0.799 185 E HN 0.453 nan 8.360 nan 0.000 0.518 186 T N -0.341 113.980 114.554 -0.388 0.000 3.010 186 T HA 0.000 4.349 4.350 -0.002 0.000 0.252 186 T C -0.392 173.760 174.700 -0.914 0.000 1.047 186 T CA 0.536 62.190 62.100 -0.743 0.000 1.140 186 T CB 0.128 68.423 68.868 -0.955 0.000 0.885 186 T HN 0.150 nan 8.240 nan 0.000 0.464 187 W N 0.377 121.654 121.300 -0.039 0.000 3.259 187 W HA 0.613 5.272 4.660 -0.002 0.000 0.331 187 W C 0.264 176.748 176.519 -0.060 0.000 1.144 187 W CA -1.258 56.077 57.345 -0.017 0.000 1.227 187 W CB 0.988 30.518 29.460 0.115 0.000 1.371 187 W HN -0.337 nan 8.180 nan 0.000 0.491 188 K N 1.395 121.794 120.400 -0.001 0.000 2.211 188 K HA 0.259 4.578 4.320 -0.002 0.000 0.203 188 K C 0.850 177.538 176.600 0.145 0.000 1.050 188 K CA 1.317 57.550 56.287 -0.089 0.000 0.945 188 K CB 0.147 32.572 32.500 -0.126 0.000 0.732 188 K HN 0.673 nan 8.250 nan 0.000 0.451 189 G N -1.172 107.629 108.800 0.002 0.000 2.506 189 G HA2 0.101 4.060 3.960 -0.002 0.000 0.292 189 G HA3 0.101 4.060 3.960 -0.002 0.000 0.292 189 G C -2.628 171.867 174.900 -0.675 0.000 1.425 189 G CA -0.950 43.813 45.100 -0.561 0.000 0.788 189 G HN -0.293 nan 8.290 nan 0.000 0.490 190 P HA -0.223 nan 4.420 nan 0.000 0.217 190 P C 1.397 178.549 177.300 -0.247 0.000 1.148 190 P CA 1.383 64.070 63.100 -0.688 0.000 0.834 190 P CB 0.359 31.657 31.700 -0.670 0.000 0.783 191 Q N 0.693 120.435 119.800 -0.098 0.000 2.096 191 Q HA -0.108 4.231 4.340 -0.002 0.000 0.204 191 Q C 2.272 178.279 176.000 0.011 0.000 0.982 191 Q CA 2.242 58.094 55.803 0.083 0.000 0.850 191 Q CB -1.268 27.498 28.738 0.046 0.000 0.901 191 Q HN 0.219 nan 8.270 nan 0.000 0.422 192 A N -0.090 122.726 122.820 -0.007 0.000 2.066 192 A HA -0.059 4.260 4.320 -0.002 0.000 0.218 192 A C 1.989 179.618 177.584 0.076 0.000 1.157 192 A CA 0.774 52.856 52.037 0.075 0.000 0.670 192 A CB -0.527 18.560 19.000 0.145 0.000 0.804 192 A HN 0.484 nan 8.150 nan 0.000 0.453 193 L N -0.766 120.394 121.223 -0.106 0.000 1.993 193 L HA -0.095 4.244 4.340 -0.002 0.000 0.206 193 L C 2.507 179.238 176.870 -0.233 0.000 1.074 193 L CA 1.461 56.057 54.840 -0.406 0.000 0.746 193 L CB -0.507 41.267 42.059 -0.474 0.000 0.896 193 L HN 0.425 nan 8.230 nan 0.000 0.435 194 L N -0.124 121.009 121.223 -0.151 0.000 2.034 194 L HA -0.352 3.987 4.340 -0.002 0.000 0.217 194 L C 2.824 179.662 176.870 -0.053 0.000 1.077 194 L CA 1.582 56.369 54.840 -0.088 0.000 0.769 194 L CB -0.410 41.651 42.059 0.004 0.000 0.890 194 L HN 0.355 nan 8.230 nan 0.000 0.435 195 R N -0.376 120.116 120.500 -0.015 0.000 2.139 195 R HA -0.211 4.128 4.340 -0.002 0.000 0.243 195 R C 1.437 177.746 176.300 0.016 0.000 1.145 195 R CA 1.882 57.984 56.100 0.003 0.000 0.976 195 R CB -0.077 30.241 30.300 0.029 0.000 0.866 195 R HN 0.396 nan 8.270 nan 0.000 0.449 196 D N -0.693 119.738 120.400 0.052 0.000 2.348 196 D HA -0.007 4.631 4.640 -0.002 0.000 0.211 196 D C 1.401 177.748 176.300 0.078 0.000 0.998 196 D CA 0.779 54.854 54.000 0.125 0.000 0.873 196 D CB 0.389 41.391 40.800 0.336 0.000 0.925 196 D HN 0.516 nan 8.370 nan 0.000 0.524 197 I N -4.088 116.467 120.570 -0.025 0.000 4.655 197 I HA 0.245 4.414 4.170 -0.002 0.000 0.333 197 I C 1.487 177.515 176.117 -0.149 0.000 1.312 197 I CA -0.167 61.128 61.300 -0.008 0.000 1.270 197 I CB 0.093 38.077 38.000 -0.026 0.000 1.318 197 I HN -0.288 nan 8.210 nan 0.000 0.456 198 N N 2.817 121.423 118.700 -0.156 0.000 2.096 198 N HA -0.286 4.452 4.740 -0.002 0.000 0.195 198 N C 1.933 177.302 175.510 -0.235 0.000 1.017 198 N CA 2.213 55.172 53.050 -0.152 0.000 0.870 198 N CB -0.278 38.148 38.487 -0.101 0.000 1.024 198 N HN 0.371 nan 8.380 nan 0.000 0.434 199 R N -1.156 119.092 120.500 -0.419 0.000 2.122 199 R HA -0.165 4.174 4.340 -0.002 0.000 0.236 199 R C 0.653 176.646 176.300 -0.512 0.000 1.129 199 R CA 1.601 57.373 56.100 -0.546 0.000 0.925 199 R CB -0.454 29.308 30.300 -0.896 0.000 0.850 199 R HN 0.346 nan 8.270 nan 0.000 0.431 200 Y N -0.162 120.055 120.300 -0.137 0.000 2.227 200 Y HA -0.070 4.478 4.550 -0.002 0.000 0.405 200 Y C 1.939 177.789 175.900 -0.085 0.000 1.290 200 Y CA 0.212 58.237 58.100 -0.126 0.000 1.892 200 Y CB 0.126 38.511 38.460 -0.124 0.000 1.626 200 Y HN 0.093 nan 8.280 nan 0.000 0.700 201 L N -2.957 118.311 121.223 0.076 0.000 4.977 201 L HA -0.342 3.996 4.340 -0.002 0.000 0.398 201 L C -0.271 176.600 176.870 0.001 0.000 0.818 201 L CA 1.043 55.885 54.840 0.003 0.000 2.090 201 L CB -1.050 40.986 42.059 -0.039 0.000 1.320 201 L HN 0.644 nan 8.230 nan 0.000 0.615 202 Q N -0.020 119.780 119.800 0.000 0.000 2.322 202 Q HA 0.526 4.865 4.340 -0.002 0.000 0.265 202 Q C 0.765 176.787 176.000 0.036 0.000 0.985 202 Q CA 0.264 56.074 55.803 0.010 0.000 0.849 202 Q CB 1.983 30.717 28.738 -0.007 0.000 1.274 202 Q HN 0.253 nan 8.270 nan 0.000 0.449 203 G N 2.390 111.219 108.800 0.049 0.000 2.645 203 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.246 203 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.246 203 G C -0.466 174.474 174.900 0.066 0.000 1.322 203 G CA -0.714 44.425 45.100 0.065 0.000 0.898 203 G HN 0.660 nan 8.290 nan 0.000 0.573 204 E N 0.831 121.077 120.200 0.077 0.000 2.558 204 E HA 0.334 4.683 4.350 -0.002 0.000 0.255 204 E C 1.001 177.649 176.600 0.081 0.000 0.968 204 E CA 0.612 57.057 56.400 0.076 0.000 0.939 204 E CB 0.514 30.267 29.700 0.088 0.000 0.921 204 E HN 1.025 nan 8.360 nan 0.000 0.477 205 A N 6.669 129.524 122.820 0.058 0.000 2.454 205 A HA 0.229 4.548 4.320 -0.002 0.000 0.260 205 A C -1.694 175.918 177.584 0.046 0.000 1.106 205 A CA -1.132 50.936 52.037 0.053 0.000 0.780 205 A CB -0.075 18.940 19.000 0.026 0.000 1.044 205 A HN 0.386 nan 8.150 nan 0.000 0.498 206 P HA 0.207 nan 4.420 nan 0.000 0.273 206 P C -0.338 176.940 177.300 -0.037 0.000 1.250 206 P CA -0.241 62.882 63.100 0.038 0.000 0.793 206 P CB 0.551 32.330 31.700 0.132 0.000 1.011 207 V N 1.720 121.587 119.914 -0.078 0.000 2.686 207 V HA 0.180 4.298 4.120 -0.002 0.000 0.295 207 V C 0.831 176.869 176.094 -0.093 0.000 1.057 207 V CA -0.474 61.781 62.300 -0.076 0.000 1.012 207 V CB 0.707 32.478 31.823 -0.086 0.000 1.006 207 V HN 0.332 nan 8.190 nan 0.000 0.477 208 I N 4.618 125.151 120.570 -0.062 0.000 2.304 208 I HA 0.290 4.459 4.170 -0.002 0.000 0.291 208 I C 0.464 176.564 176.117 -0.029 0.000 1.018 208 I CA -0.490 60.778 61.300 -0.054 0.000 1.260 208 I CB 1.087 39.066 38.000 -0.035 0.000 1.390 208 I HN 0.653 nan 8.210 nan 0.000 0.475 209 K N 7.146 127.536 120.400 -0.017 0.000 2.412 209 K HA 0.374 4.693 4.320 -0.002 0.000 0.284 209 K C 0.414 177.030 176.600 0.027 0.000 1.046 209 K CA 0.158 56.457 56.287 0.020 0.000 0.999 209 K CB 0.578 33.123 32.500 0.075 0.000 0.941 209 K HN 0.834 nan 8.250 nan 0.000 0.474 210 A N 3.096 125.930 122.820 0.024 0.000 2.546 210 A HA -0.086 4.233 4.320 -0.002 0.000 0.295 210 A C -2.030 175.569 177.584 0.025 0.000 1.455 210 A CA 0.106 52.158 52.037 0.026 0.000 0.730 210 A CB -1.983 17.036 19.000 0.032 0.000 1.111 210 A HN 0.808 nan 8.150 nan 0.000 0.411 211 P HA 0.502 nan 4.420 nan 0.000 0.275 211 P C -2.494 174.824 177.300 0.031 0.000 1.266 211 P CA -1.118 61.996 63.100 0.022 0.000 0.793 211 P CB -0.198 31.511 31.700 0.014 0.000 1.074 212 P HA 0.333 nan 4.420 nan 0.000 0.274 212 P C -2.435 174.889 177.300 0.040 0.000 1.246 212 P CA -1.568 61.559 63.100 0.046 0.000 0.795 212 P CB -1.361 30.375 31.700 0.060 0.000 1.006 213 P HA 0.013 nan 4.420 nan 0.000 0.263 213 P C 0.086 177.409 177.300 0.039 0.000 1.195 213 P CA 0.336 63.457 63.100 0.035 0.000 0.762 213 P CB -0.028 31.693 31.700 0.035 0.000 0.799 214 D N 2.100 122.520 120.400 0.033 0.000 2.424 214 D HA -0.180 4.459 4.640 -0.002 0.000 0.248 214 D C 0.710 177.033 176.300 0.039 0.000 1.189 214 D CA 1.374 55.394 54.000 0.034 0.000 1.021 214 D CB -0.476 40.340 40.800 0.027 0.000 0.900 214 D HN 0.529 nan 8.370 nan 0.000 0.500 215 D N -2.940 117.487 120.400 0.045 0.000 1.996 215 D HA -0.065 4.574 4.640 -0.002 0.000 0.613 215 D C -0.226 176.108 176.300 0.057 0.000 0.806 215 D CA -0.407 53.622 54.000 0.048 0.000 1.127 215 D CB -0.531 40.292 40.800 0.039 0.000 1.417 215 D HN 0.028 nan 8.370 nan 0.000 0.450 216 E N 1.568 121.804 120.200 0.060 0.000 2.829 216 E HA 0.086 4.435 4.350 -0.002 0.000 0.264 216 E C 0.185 176.835 176.600 0.085 0.000 0.922 216 E CA 1.226 57.669 56.400 0.071 0.000 0.960 216 E CB 0.503 30.250 29.700 0.077 0.000 0.918 216 E HN 0.500 nan 8.360 nan 0.000 0.497 217 T N 0.234 114.840 114.554 0.087 0.000 2.912 217 T HA 0.249 4.598 4.350 -0.002 0.000 0.280 217 T C 1.309 176.084 174.700 0.124 0.000 0.989 217 T CA -0.930 61.227 62.100 0.096 0.000 0.995 217 T CB 0.937 69.848 68.868 0.072 0.000 1.077 217 T HN 0.446 nan 8.240 nan 0.000 0.531 218 L N 0.898 122.201 121.223 0.133 0.000 2.012 218 L HA -0.064 4.275 4.340 -0.002 0.000 0.210 218 L C 3.129 180.118 176.870 0.199 0.000 1.073 218 L CA 1.913 56.856 54.840 0.171 0.000 0.748 218 L CB -1.106 41.039 42.059 0.144 0.000 0.891 218 L HN 1.016 nan 8.230 nan 0.000 0.431 219 A N -0.177 122.720 122.820 0.129 0.000 1.896 219 A HA -0.316 4.002 4.320 -0.002 0.000 0.220 219 A C 2.378 180.044 177.584 0.137 0.000 1.206 219 A CA 2.691 54.786 52.037 0.098 0.000 0.647 219 A CB -0.979 18.045 19.000 0.041 0.000 0.828 219 A HN 0.575 nan 8.150 nan 0.000 0.455 220 S N -0.252 115.519 115.700 0.117 0.000 2.380 220 S HA -0.236 4.233 4.470 -0.002 0.000 0.217 220 S C 1.947 176.631 174.600 0.140 0.000 1.036 220 S CA 1.541 59.806 58.200 0.107 0.000 1.050 220 S CB -0.611 62.638 63.200 0.081 0.000 1.016 220 S HN 0.623 nan 8.310 nan 0.000 0.419 221 R N 1.327 121.917 120.500 0.150 0.000 2.159 221 R HA -0.246 4.093 4.340 -0.002 0.000 0.252 221 R C 2.281 178.690 176.300 0.182 0.000 1.144 221 R CA 2.186 58.373 56.100 0.145 0.000 0.961 221 R CB -1.233 29.175 30.300 0.180 0.000 0.877 221 R HN 0.643 nan 8.270 nan 0.000 0.444 222 H N 0.052 119.260 119.070 0.230 0.000 2.265 222 H HA -0.169 4.386 4.556 -0.002 0.000 0.293 222 H C 1.629 177.018 175.328 0.101 0.000 1.089 222 H CA 2.312 58.587 56.048 0.378 0.000 1.244 222 H CB -0.712 29.311 29.762 0.434 0.000 1.355 222 H HN 0.343 nan 8.280 nan 0.000 0.485 223 A N 1.203 124.231 122.820 0.347 0.000 1.862 223 A HA -0.319 4.000 4.320 -0.002 0.000 0.217 223 A C 2.453 180.071 177.584 0.056 0.000 1.251 223 A CA 2.643 54.790 52.037 0.183 0.000 0.673 223 A CB -1.222 17.841 19.000 0.105 0.000 0.843 223 A HN 0.709 nan 8.150 nan 0.000 0.458 224 Q N -0.942 118.871 119.800 0.021 0.000 2.165 224 Q HA -0.257 4.082 4.340 -0.002 0.000 0.215 224 Q C 2.122 178.041 176.000 -0.134 0.000 1.010 224 Q CA 1.987 57.768 55.803 -0.037 0.000 0.896 224 Q CB -0.619 28.104 28.738 -0.025 0.000 0.956 224 Q HN 0.758 nan 8.270 nan 0.000 0.413 225 I N -0.203 120.204 120.570 -0.272 0.000 2.163 225 I HA -0.198 3.971 4.170 -0.002 0.000 0.240 225 I C 2.444 178.248 176.117 -0.523 0.000 1.081 225 I CA 0.953 61.916 61.300 -0.562 0.000 1.353 225 I CB -1.501 35.754 38.000 -1.242 0.000 1.054 225 I HN 0.071 nan 8.210 nan 0.000 0.407 226 V N 1.712 121.338 119.914 -0.480 0.000 2.231 226 V HA -0.340 3.779 4.120 -0.002 0.000 0.250 226 V C 2.939 178.991 176.094 -0.070 0.000 1.058 226 V CA 2.419 64.614 62.300 -0.175 0.000 1.022 226 V CB -1.021 30.884 31.823 0.136 0.000 0.640 226 V HN 0.523 nan 8.190 nan 0.000 0.445 227 A N -0.552 122.244 122.820 -0.041 0.000 1.940 227 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 227 A C 2.286 179.855 177.584 -0.025 0.000 1.176 227 A CA 2.028 54.056 52.037 -0.015 0.000 0.631 227 A CB -0.535 18.463 19.000 -0.004 0.000 0.814 227 A HN 0.584 nan 8.150 nan 0.000 0.446 228 R N -0.903 119.559 120.500 -0.064 0.000 2.115 228 R HA 0.029 4.367 4.340 -0.002 0.000 0.226 228 R C 1.880 178.173 176.300 -0.011 0.000 1.100 228 R CA 1.351 57.424 56.100 -0.045 0.000 0.980 228 R CB -0.393 29.855 30.300 -0.086 0.000 0.875 228 R HN 0.580 nan 8.270 nan 0.000 0.445 229 I N 0.451 121.007 120.570 -0.023 0.000 2.233 229 I HA -0.219 3.950 4.170 -0.002 0.000 0.243 229 I C 2.098 178.267 176.117 0.088 0.000 1.093 229 I CA 1.493 62.838 61.300 0.074 0.000 1.380 229 I CB -0.213 37.839 38.000 0.088 0.000 1.067 229 I HN 0.080 nan 8.210 nan 0.000 0.413 230 D N 0.392 120.808 120.400 0.026 0.000 2.117 230 D HA -0.207 4.432 4.640 -0.002 0.000 0.198 230 D C 2.200 178.512 176.300 0.020 0.000 0.982 230 D CA 1.887 55.883 54.000 -0.007 0.000 0.828 230 D CB 0.044 40.838 40.800 -0.009 0.000 0.967 230 D HN 0.355 nan 8.370 nan 0.000 0.464 231 T N -2.043 112.532 114.554 0.036 0.000 2.822 231 T HA -0.152 4.197 4.350 -0.002 0.000 0.270 231 T C 1.856 176.607 174.700 0.086 0.000 1.064 231 T CA 1.384 63.514 62.100 0.051 0.000 1.131 231 T CB -0.589 68.307 68.868 0.046 0.000 0.858 231 T HN 0.038 nan 8.240 nan 0.000 0.483 232 V N 0.380 120.360 119.914 0.109 0.000 3.506 232 V HA 0.207 4.326 4.120 -0.002 0.000 0.263 232 V C 2.458 178.666 176.094 0.189 0.000 1.203 232 V CA 0.677 63.081 62.300 0.174 0.000 1.133 232 V CB -0.378 31.561 31.823 0.193 0.000 0.802 232 V HN 0.438 nan 8.190 nan 0.000 0.459 233 K N -0.443 120.002 120.400 0.075 0.000 2.365 233 K HA 0.009 4.328 4.320 -0.002 0.000 0.197 233 K C 2.146 178.760 176.600 0.023 0.000 1.042 233 K CA 0.529 56.778 56.287 -0.063 0.000 0.987 233 K CB 0.145 32.490 32.500 -0.257 0.000 0.779 233 K HN 0.458 nan 8.250 nan 0.000 0.484 234 Q N 0.416 120.253 119.800 0.063 0.000 2.107 234 Q HA -0.035 4.303 4.340 -0.002 0.000 0.195 234 Q C 0.924 176.991 176.000 0.111 0.000 0.964 234 Q CA 0.815 56.657 55.803 0.065 0.000 0.833 234 Q CB 0.400 29.165 28.738 0.045 0.000 0.910 234 Q HN 0.312 nan 8.270 nan 0.000 0.465 235 Q N -0.740 119.150 119.800 0.149 0.000 2.362 235 Q HA -0.106 4.232 4.340 -0.002 0.000 0.215 235 Q C 0.672 176.836 176.000 0.272 0.000 0.944 235 Q CA 0.214 56.120 55.803 0.172 0.000 0.964 235 Q CB 0.123 28.973 28.738 0.187 0.000 0.998 235 Q HN 0.470 nan 8.270 nan 0.000 0.488 236 W N -0.578 120.768 121.300 0.076 0.000 2.396 236 W HA 0.189 4.848 4.660 -0.002 0.000 0.216 236 W C 0.606 177.149 176.519 0.041 0.000 0.949 236 W CA -0.155 57.245 57.345 0.092 0.000 1.168 236 W CB 0.555 30.084 29.460 0.115 0.000 0.829 236 W HN -0.007 nan 8.180 nan 0.000 0.663 237 R N 1.117 121.723 120.500 0.176 0.000 2.357 237 R HA -0.040 4.299 4.340 -0.002 0.000 0.202 237 R C -0.337 175.960 176.300 -0.005 0.000 1.047 237 R CA 0.876 57.029 56.100 0.089 0.000 1.034 237 R CB -0.116 30.214 30.300 0.049 0.000 0.875 237 R HN -0.006 nan 8.270 nan 0.000 0.473 238 D N -0.065 120.294 120.400 -0.068 0.000 2.795 238 D HA 0.120 4.759 4.640 -0.002 0.000 0.335 238 D C -0.145 176.017 176.300 -0.230 0.000 1.262 238 D CA -0.004 53.930 54.000 -0.111 0.000 0.885 238 D CB 1.459 42.221 40.800 -0.062 0.000 1.047 238 D HN 0.110 nan 8.370 nan 0.000 0.500 239 A N 0.320 122.958 122.820 -0.303 0.000 2.337 239 A HA 0.116 4.434 4.320 -0.002 0.000 0.227 239 A C 2.043 179.514 177.584 -0.188 0.000 1.259 239 A CA -0.006 51.799 52.037 -0.386 0.000 0.870 239 A CB -0.010 18.739 19.000 -0.419 0.000 0.927 239 A HN 0.218 nan 8.150 nan 0.000 0.497 240 V N 0.250 120.083 119.914 -0.135 0.000 2.219 240 V HA -0.284 3.835 4.120 -0.002 0.000 0.248 240 V C 2.832 178.874 176.094 -0.088 0.000 1.053 240 V CA 2.507 64.756 62.300 -0.084 0.000 1.009 240 V CB -1.373 30.410 31.823 -0.067 0.000 0.636 240 V HN 0.551 nan 8.190 nan 0.000 0.445 241 G N -0.269 108.467 108.800 -0.107 0.000 2.404 241 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.215 241 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.215 241 G C 0.589 175.420 174.900 -0.114 0.000 1.174 241 G CA 0.122 45.159 45.100 -0.105 0.000 0.780 241 G HN 0.651 nan 8.290 nan 0.000 0.537 242 E N 0.468 120.579 120.200 -0.149 0.000 2.734 242 E HA 0.212 4.560 4.350 -0.002 0.000 0.235 242 E C -0.215 176.348 176.600 -0.062 0.000 1.107 242 E CA 0.227 56.553 56.400 -0.123 0.000 0.951 242 E CB -0.002 29.601 29.700 -0.162 0.000 0.955 242 E HN 0.350 nan 8.360 nan 0.000 0.515 243 L N 2.120 123.309 121.223 -0.056 0.000 4.241 243 L HA 0.071 4.410 4.340 -0.002 0.000 0.426 243 L C -0.206 176.642 176.870 -0.037 0.000 1.173 243 L CA -0.599 54.226 54.840 -0.024 0.000 1.461 243 L CB 0.259 42.305 42.059 -0.022 0.000 1.481 243 L HN 0.382 nan 8.230 nan 0.000 0.591 244 D N 0.955 121.316 120.400 -0.064 0.000 2.770 244 D HA -0.002 4.637 4.640 -0.002 0.000 0.211 244 D C 1.135 177.411 176.300 -0.041 0.000 1.177 244 D CA 1.346 55.305 54.000 -0.067 0.000 0.839 244 D CB 0.943 41.680 40.800 -0.105 0.000 1.210 244 D HN 0.335 nan 8.370 nan 0.000 0.530 245 A N 2.456 125.256 122.820 -0.034 0.000 1.909 245 A HA 0.095 4.414 4.320 -0.002 0.000 0.215 245 A C 0.699 178.277 177.584 -0.008 0.000 1.392 245 A CA 0.099 52.124 52.037 -0.019 0.000 0.599 245 A CB -0.667 18.322 19.000 -0.018 0.000 1.029 245 A HN 0.565 nan 8.150 nan 0.000 0.480 246 L N 2.074 123.297 121.223 0.000 0.000 2.615 246 L HA 0.032 4.371 4.340 -0.002 0.000 0.271 246 L C 0.475 177.354 176.870 0.016 0.000 1.183 246 L CA -0.623 54.222 54.840 0.009 0.000 0.933 246 L CB -0.223 41.844 42.059 0.014 0.000 1.199 246 L HN 0.597 nan 8.230 nan 0.000 0.487 247 I N 1.671 122.246 120.570 0.008 0.000 3.176 247 I HA 0.299 4.468 4.170 -0.002 0.000 0.204 247 I C 0.295 176.417 176.117 0.007 0.000 1.334 247 I CA -0.139 61.165 61.300 0.006 0.000 0.825 247 I CB 0.070 38.070 38.000 -0.000 0.000 1.694 247 I HN 0.577 nan 8.210 nan 0.000 0.970 248 E N -1.462 118.739 120.200 0.002 0.000 2.418 248 E HA 0.086 4.435 4.350 -0.002 0.000 0.283 248 E C 0.054 176.652 176.600 -0.004 0.000 1.178 248 E CA 0.453 56.852 56.400 -0.001 0.000 0.929 248 E CB 1.018 30.718 29.700 0.000 0.000 1.177 248 E HN 0.725 nan 8.360 nan 0.000 0.429 249 S N 0.213 115.910 115.700 -0.004 0.000 2.325 249 S HA -0.156 4.313 4.470 -0.002 0.000 0.214 249 S C 1.853 176.449 174.600 -0.007 0.000 1.031 249 S CA 1.681 59.878 58.200 -0.006 0.000 0.972 249 S CB -0.673 62.525 63.200 -0.004 0.000 0.908 249 S HN 0.602 nan 8.310 nan 0.000 0.453 250 S N 3.014 118.712 115.700 -0.004 0.000 2.389 250 S HA -0.062 4.406 4.470 -0.002 0.000 0.229 250 S C 1.496 176.093 174.600 -0.005 0.000 1.048 250 S CA 0.922 59.121 58.200 -0.003 0.000 1.117 250 S CB -2.063 61.136 63.200 -0.000 0.000 1.020 250 S HN 0.914 nan 8.310 nan 0.000 0.430 251 G N 2.087 110.886 108.800 -0.003 0.000 2.195 251 G HA2 0.393 4.351 3.960 -0.002 0.000 0.264 251 G HA3 0.393 4.351 3.960 -0.002 0.000 0.264 251 G C -0.236 174.654 174.900 -0.018 0.000 1.148 251 G CA -0.219 44.879 45.100 -0.003 0.000 1.023 251 G HN 0.572 nan 8.290 nan 0.000 0.429 252 I N 1.049 121.599 120.570 -0.034 0.000 3.660 252 I HA 0.316 4.484 4.170 -0.002 0.000 0.285 252 I C 0.278 176.342 176.117 -0.088 0.000 1.266 252 I CA -1.083 60.178 61.300 -0.065 0.000 0.987 252 I CB 1.710 39.654 38.000 -0.093 0.000 1.417 252 I HN 0.337 nan 8.210 nan 0.000 0.590 253 D N 1.128 121.450 120.400 -0.131 0.000 2.402 253 D HA 0.116 4.755 4.640 -0.002 0.000 0.216 253 D C 0.382 176.498 176.300 -0.308 0.000 1.128 253 D CA 0.117 54.035 54.000 -0.137 0.000 0.833 253 D CB 0.407 41.158 40.800 -0.081 0.000 0.971 253 D HN 0.271 nan 8.370 nan 0.000 0.503 254 R N 0.439 120.632 120.500 -0.511 0.000 2.568 254 R HA 0.219 4.558 4.340 -0.002 0.000 0.288 254 R C 1.435 177.280 176.300 -0.758 0.000 1.077 254 R CA -0.174 55.129 56.100 -1.328 0.000 1.102 254 R CB 0.109 29.756 30.300 -1.089 0.000 1.278 254 R HN 0.102 nan 8.270 nan 0.000 0.560 255 R N 0.281 120.619 120.500 -0.270 0.000 2.210 255 R HA 0.071 4.410 4.340 -0.002 0.000 0.203 255 R C 1.137 177.542 176.300 0.175 0.000 1.010 255 R CA 0.551 56.682 56.100 0.052 0.000 1.008 255 R CB 0.314 30.685 30.300 0.118 0.000 0.923 255 R HN 0.026 nan 8.270 nan 0.000 0.469 256 K N -0.334 120.118 120.400 0.086 0.000 2.515 256 K HA -0.038 4.281 4.320 -0.002 0.000 0.196 256 K C 1.155 178.013 176.600 0.430 0.000 1.038 256 K CA 0.894 57.323 56.287 0.236 0.000 0.967 256 K CB 0.146 32.758 32.500 0.186 0.000 0.780 256 K HN 0.193 nan 8.250 nan 0.000 0.483 257 F N 0.794 120.800 119.950 0.094 0.000 2.123 257 F HA -0.090 4.436 4.527 -0.002 0.000 0.289 257 F C 1.951 177.781 175.800 0.050 0.000 1.099 257 F CA -0.200 57.838 58.000 0.063 0.000 1.234 257 F CB -0.195 38.837 39.000 0.054 0.000 1.034 257 F HN 0.004 nan 8.300 nan 0.000 0.479 258 N N 1.061 119.928 118.700 0.279 0.000 2.037 258 N HA -0.180 4.559 4.740 -0.002 0.000 0.196 258 N C 1.563 177.059 175.510 -0.024 0.000 1.034 258 N CA 1.137 54.254 53.050 0.113 0.000 0.861 258 N CB -0.756 37.836 38.487 0.174 0.000 1.039 258 N HN 0.233 nan 8.380 nan 0.000 0.427 259 R N 0.857 121.377 120.500 0.034 0.000 2.410 259 R HA -0.204 4.135 4.340 -0.002 0.000 0.207 259 R C 2.428 178.813 176.300 0.141 0.000 1.020 259 R CA 2.333 58.469 56.100 0.060 0.000 0.796 259 R CB -1.059 29.388 30.300 0.244 0.000 0.771 259 R HN 0.430 nan 8.270 nan 0.000 0.435 260 S N 1.128 116.937 115.700 0.181 0.000 2.434 260 S HA -0.324 4.145 4.470 -0.002 0.000 0.250 260 S C 1.690 176.363 174.600 0.121 0.000 1.102 260 S CA 2.010 60.308 58.200 0.164 0.000 1.104 260 S CB -1.073 62.204 63.200 0.128 0.000 0.957 260 S HN 0.366 nan 8.310 nan 0.000 0.456 261 N N 2.047 120.787 118.700 0.068 0.000 2.036 261 N HA -0.243 4.496 4.740 -0.002 0.000 0.199 261 N C 1.967 177.498 175.510 0.035 0.000 1.036 261 N CA 2.351 55.417 53.050 0.027 0.000 0.870 261 N CB -0.398 38.075 38.487 -0.023 0.000 1.055 261 N HN 0.718 nan 8.380 nan 0.000 0.436 262 Q N 0.161 119.928 119.800 -0.055 0.000 2.269 262 Q HA 0.176 4.515 4.340 -0.002 0.000 0.201 262 Q C 2.114 178.123 176.000 0.015 0.000 0.946 262 Q CA 0.982 56.748 55.803 -0.061 0.000 0.877 262 Q CB -0.058 28.315 28.738 -0.609 0.000 0.963 262 Q HN 0.360 nan 8.270 nan 0.000 0.472 263 A N 1.883 124.835 122.820 0.221 0.000 1.908 263 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 263 A C 1.713 179.414 177.584 0.194 0.000 1.181 263 A CA 1.454 53.770 52.037 0.465 0.000 0.627 263 A CB -0.239 19.020 19.000 0.432 0.000 0.818 263 A HN 0.183 nan 8.150 nan 0.000 0.445 264 K N -0.575 119.911 120.400 0.143 0.000 2.458 264 K HA 0.005 4.324 4.320 -0.002 0.000 0.194 264 K C 0.900 177.567 176.600 0.111 0.000 1.024 264 K CA 0.135 56.480 56.287 0.097 0.000 1.108 264 K CB -0.009 32.543 32.500 0.086 0.000 0.846 264 K HN 0.892 nan 8.250 nan 0.000 0.518 265 W N 1.636 122.903 121.300 -0.056 0.000 3.387 265 W HA 0.147 4.805 4.660 -0.002 0.000 0.403 265 W C -0.862 175.632 176.519 -0.042 0.000 1.073 265 W CA -0.264 57.034 57.345 -0.078 0.000 1.866 265 W CB 0.232 29.593 29.460 -0.165 0.000 0.981 265 W HN -0.176 nan 8.180 nan 0.000 0.802 266 I N 3.362 123.777 120.570 -0.259 0.000 3.004 266 I HA 0.156 4.325 4.170 -0.002 0.000 0.328 266 I C -0.110 175.901 176.117 -0.176 0.000 1.296 266 I CA -0.584 60.506 61.300 -0.349 0.000 1.005 266 I CB -0.776 37.103 38.000 -0.202 0.000 1.928 266 I HN -0.137 nan 8.210 nan 0.000 0.545 267 D N 1.683 121.999 120.400 -0.140 0.000 2.478 267 D HA 0.137 4.776 4.640 -0.002 0.000 0.274 267 D C 0.922 177.185 176.300 -0.062 0.000 1.234 267 D CA -0.315 53.656 54.000 -0.048 0.000 1.069 267 D CB 0.958 41.770 40.800 0.019 0.000 1.113 267 D HN -0.153 nan 8.370 nan 0.000 0.571 268 K N 0.357 120.749 120.400 -0.013 0.000 3.226 268 K HA 0.264 4.583 4.320 -0.002 0.000 0.268 268 K C 0.049 176.672 176.600 0.039 0.000 1.217 268 K CA -0.063 56.223 56.287 -0.001 0.000 1.242 268 K CB -1.555 30.953 32.500 0.012 0.000 1.389 268 K HN 0.526 nan 8.250 nan 0.000 0.406 269 I N -1.546 119.043 120.570 0.032 0.000 4.909 269 I HA -0.589 3.580 4.170 -0.002 0.000 0.038 269 I C 0.894 177.112 176.117 0.169 0.000 0.635 269 I CA 1.202 62.579 61.300 0.128 0.000 0.199 269 I CB -1.440 36.666 38.000 0.176 0.000 0.317 269 I HN 0.390 nan 8.210 nan 0.000 0.150 270 S N -1.139 114.691 115.700 0.217 0.000 2.319 270 S HA -0.116 4.353 4.470 -0.002 0.000 0.253 270 S C -0.229 174.431 174.600 0.100 0.000 1.235 270 S CA 1.239 59.530 58.200 0.153 0.000 1.388 270 S CB -0.962 62.293 63.200 0.091 0.000 1.723 270 S HN 1.872 nan 8.310 nan 0.000 0.611 271 A N -0.529 122.412 122.820 0.201 0.000 2.408 271 A HA 0.642 4.961 4.320 -0.002 0.000 0.295 271 A C -0.019 177.800 177.584 0.392 0.000 1.040 271 A CA -0.451 51.682 52.037 0.160 0.000 0.707 271 A CB 0.717 19.801 19.000 0.140 0.000 1.235 271 A HN 0.508 nan 8.150 nan 0.000 0.418 272 W N 2.182 123.485 121.300 0.006 0.000 2.961 272 W HA 0.229 4.888 4.660 -0.002 0.000 0.240 272 W C 1.262 177.752 176.519 -0.047 0.000 1.305 272 W CA 0.219 57.552 57.345 -0.020 0.000 1.465 272 W CB 0.279 29.704 29.460 -0.058 0.000 1.135 272 W HN 0.870 nan 8.180 nan 0.000 0.688 273 A N 1.675 124.600 122.820 0.177 0.000 2.351 273 A HA 0.314 4.633 4.320 -0.002 0.000 0.257 273 A C -0.082 177.416 177.584 -0.143 0.000 1.087 273 A CA 0.115 52.159 52.037 0.013 0.000 0.798 273 A CB 0.261 19.265 19.000 0.008 0.000 1.033 273 A HN 0.403 nan 8.150 nan 0.000 0.488 274 E N 1.749 121.776 120.200 -0.288 0.000 2.640 274 E HA 0.170 4.519 4.350 -0.002 0.000 0.360 274 E C -1.171 175.154 176.600 -0.458 0.000 1.014 274 E CA -0.782 55.252 56.400 -0.610 0.000 0.757 274 E CB 0.563 29.684 29.700 -0.965 0.000 1.565 274 E HN 0.562 nan 8.360 nan 0.000 0.381 275 E N 1.839 121.840 120.200 -0.332 0.000 2.516 275 E HA -0.088 4.261 4.350 -0.002 0.000 0.270 275 E C 0.231 176.668 176.600 -0.272 0.000 1.130 275 E CA 0.525 56.786 56.400 -0.232 0.000 1.023 275 E CB 0.502 30.108 29.700 -0.156 0.000 1.004 275 E HN 0.386 nan 8.360 nan 0.000 0.463 276 E N 0.968 121.059 120.200 -0.182 0.000 2.406 276 E HA -0.005 4.343 4.350 -0.002 0.000 0.258 276 E C 0.202 176.697 176.600 -0.175 0.000 1.043 276 E CA 0.285 56.585 56.400 -0.166 0.000 0.929 276 E CB 0.031 29.673 29.700 -0.096 0.000 0.969 276 E HN 0.404 nan 8.360 nan 0.000 0.462 277 T N 1.064 115.492 114.554 -0.211 0.000 3.377 277 T HA 0.255 4.603 4.350 -0.002 0.000 0.270 277 T C 0.604 175.255 174.700 -0.082 0.000 1.586 277 T CA -0.738 61.237 62.100 -0.208 0.000 1.487 277 T CB -0.065 68.581 68.868 -0.370 0.000 0.994 277 T HN 0.084 nan 8.240 nan 0.000 0.689 278 N N 2.072 120.759 118.700 -0.021 0.000 2.081 278 N HA -0.099 4.639 4.740 -0.002 0.000 0.191 278 N C 2.214 177.763 175.510 0.064 0.000 1.053 278 N CA 1.741 54.792 53.050 0.002 0.000 0.846 278 N CB -0.436 38.053 38.487 0.002 0.000 1.032 278 N HN 0.625 nan 8.380 nan 0.000 0.431 279 S N 1.077 116.863 115.700 0.144 0.000 2.380 279 S HA -0.211 4.258 4.470 -0.002 0.000 0.229 279 S C 1.168 175.882 174.600 0.191 0.000 1.050 279 S CA 1.354 59.658 58.200 0.174 0.000 1.100 279 S CB -1.166 62.168 63.200 0.222 0.000 0.984 279 S HN 0.365 nan 8.310 nan 0.000 0.434 280 Y N 3.430 123.753 120.300 0.038 0.000 3.127 280 Y HA 0.241 4.789 4.550 -0.002 0.000 0.387 280 Y C 1.711 177.368 175.900 -0.405 0.000 1.029 280 Y CA -0.736 57.337 58.100 -0.046 0.000 1.905 280 Y CB -1.439 37.162 38.460 0.234 0.000 2.007 280 Y HN 0.424 nan 8.280 nan 0.000 0.435 281 Q N -0.534 119.158 119.800 -0.180 0.000 2.141 281 Q HA 0.252 4.591 4.340 -0.002 0.000 0.207 281 Q C 1.168 177.035 176.000 -0.222 0.000 0.996 281 Q CA 0.324 55.987 55.803 -0.234 0.000 0.850 281 Q CB 0.618 29.308 28.738 -0.080 0.000 0.952 281 Q HN 0.376 nan 8.270 nan 0.000 0.512 282 L N -2.047 119.169 121.223 -0.012 0.000 1.238 282 L HA -0.063 4.276 4.340 -0.002 0.000 0.502 282 L C -1.873 175.011 176.870 0.023 0.000 0.779 282 L CA 0.503 55.423 54.840 0.134 0.000 2.266 282 L CB -1.511 40.757 42.059 0.349 0.000 1.198 282 L HN 0.180 nan 8.230 nan 0.000 0.503 283 P HA -0.109 nan 4.420 nan 0.000 0.217 283 P C 1.065 178.342 177.300 -0.038 0.000 1.154 283 P CA 2.027 65.121 63.100 -0.009 0.000 0.841 283 P CB 0.159 31.856 31.700 -0.005 0.000 0.788 284 E N 0.363 120.529 120.200 -0.058 0.000 2.364 284 E HA -0.033 4.316 4.350 -0.002 0.000 0.196 284 E C 2.036 178.557 176.600 -0.131 0.000 0.990 284 E CA 0.611 56.970 56.400 -0.069 0.000 0.886 284 E CB -0.688 28.983 29.700 -0.048 0.000 0.866 284 E HN 0.114 nan 8.360 nan 0.000 0.493 285 S N 1.745 117.311 115.700 -0.223 0.000 2.389 285 S HA -0.258 4.211 4.470 -0.002 0.000 0.231 285 S C 1.987 176.357 174.600 -0.383 0.000 1.052 285 S CA 1.506 59.364 58.200 -0.571 0.000 1.053 285 S CB -0.755 61.816 63.200 -1.048 0.000 0.886 285 S HN 0.379 nan 8.310 nan 0.000 0.456 286 L N 1.073 122.170 121.223 -0.211 0.000 2.131 286 L HA 0.070 4.409 4.340 -0.002 0.000 0.206 286 L C 2.650 179.474 176.870 -0.078 0.000 1.087 286 L CA 1.325 56.097 54.840 -0.113 0.000 0.767 286 L CB -0.508 41.515 42.059 -0.060 0.000 0.917 286 L HN 0.386 nan 8.230 nan 0.000 0.441 287 E N -0.036 120.121 120.200 -0.072 0.000 2.516 287 E HA -0.027 4.322 4.350 -0.002 0.000 0.199 287 E C 0.101 176.675 176.600 -0.044 0.000 1.069 287 E CA 0.519 56.891 56.400 -0.047 0.000 0.876 287 E CB 0.215 29.892 29.700 -0.038 0.000 0.843 287 E HN 0.396 nan 8.360 nan 0.000 0.530 306 R N -0.264 120.270 120.500 0.056 0.000 4.480 306 R HA 0.303 4.641 4.340 -0.002 0.000 0.131 306 R C 0.026 176.496 176.300 0.284 0.000 1.015 306 R CA -0.218 55.953 56.100 0.118 0.000 0.941 306 R CB 0.549 30.872 30.300 0.039 0.000 1.426 306 R HN 0.502 nan 8.270 nan 0.000 0.435 307 H N 0.337 119.422 119.070 0.026 0.000 2.907 307 H HA 0.384 4.939 4.556 -0.002 0.000 0.361 307 H C -1.974 173.294 175.328 -0.099 0.000 1.194 307 H CA -2.048 54.010 56.048 0.018 0.000 1.152 307 H CB 2.773 32.675 29.762 0.233 0.000 1.867 307 H HN 0.143 nan 8.280 nan 0.000 0.561 308 P HA 0.239 nan 4.420 nan 0.000 0.347 308 P C -0.387 176.681 177.300 -0.387 0.000 1.277 308 P CA -0.526 62.359 63.100 -0.359 0.000 0.796 308 P CB 1.441 32.850 31.700 -0.486 0.000 1.787 309 L N 0.915 121.911 121.223 -0.378 0.000 2.648 309 L HA 0.319 4.658 4.340 -0.002 0.000 0.238 309 L C 0.015 176.878 176.870 -0.012 0.000 1.316 309 L CA -0.063 54.685 54.840 -0.155 0.000 1.241 309 L CB -1.300 40.708 42.059 -0.085 0.000 1.499 309 L HN 0.286 nan 8.230 nan 0.000 0.411 310 F N -1.931 118.085 119.950 0.109 0.000 2.619 310 F HA 0.345 4.870 4.527 -0.002 0.000 0.382 310 F C 0.611 176.502 175.800 0.150 0.000 1.466 310 F CA -0.797 57.294 58.000 0.152 0.000 1.137 310 F CB 0.127 39.258 39.000 0.218 0.000 1.205 310 F HN 0.162 nan 8.300 nan 0.000 0.525 311 E N 0.555 121.005 120.200 0.418 0.000 2.476 311 E HA 0.157 4.506 4.350 -0.002 0.000 0.191 311 E C 1.554 178.261 176.600 0.177 0.000 1.064 311 E CA 0.358 56.919 56.400 0.267 0.000 0.866 311 E CB 0.537 30.347 29.700 0.183 0.000 0.952 311 E HN 0.604 nan 8.360 nan 0.000 0.492 312 A N 0.847 123.786 122.820 0.197 0.000 2.218 312 A HA 0.137 4.456 4.320 -0.002 0.000 0.209 312 A C 1.895 179.551 177.584 0.120 0.000 1.168 312 A CA 0.084 52.206 52.037 0.142 0.000 0.804 312 A CB -0.179 18.912 19.000 0.152 0.000 0.834 312 A HN 0.185 nan 8.150 nan 0.000 0.482 313 I N -0.778 119.866 120.570 0.124 0.000 3.035 313 I HA -0.088 4.080 4.170 -0.002 0.000 0.271 313 I C 1.362 177.496 176.117 0.028 0.000 1.190 313 I CA 0.776 62.111 61.300 0.059 0.000 1.472 313 I CB -0.104 37.904 38.000 0.014 0.000 1.116 313 I HN 0.220 nan 8.210 nan 0.000 0.443 314 D N 0.871 121.301 120.400 0.051 0.000 2.144 314 D HA -0.205 4.434 4.640 -0.002 0.000 0.199 314 D C 2.131 178.446 176.300 0.025 0.000 0.984 314 D CA 1.141 55.162 54.000 0.034 0.000 0.834 314 D CB 0.014 40.846 40.800 0.054 0.000 0.955 314 D HN 0.329 nan 8.370 nan 0.000 0.465 315 Q N -0.286 119.536 119.800 0.037 0.000 2.172 315 Q HA 0.027 4.366 4.340 -0.002 0.000 0.200 315 Q C 2.117 178.123 176.000 0.010 0.000 0.964 315 Q CA 0.456 56.274 55.803 0.026 0.000 0.855 315 Q CB 0.157 28.917 28.738 0.037 0.000 0.918 315 Q HN 0.350 nan 8.270 nan 0.000 0.444 316 L N 0.324 121.554 121.223 0.011 0.000 2.131 316 L HA -0.065 4.273 4.340 -0.002 0.000 0.206 316 L C 1.695 178.546 176.870 -0.031 0.000 1.087 316 L CA 0.773 55.608 54.840 -0.010 0.000 0.767 316 L CB -0.009 42.052 42.059 0.002 0.000 0.917 316 L HN 0.286 nan 8.230 nan 0.000 0.441 317 L N -1.088 120.118 121.223 -0.030 0.000 2.627 317 L HA 0.066 4.405 4.340 -0.002 0.000 0.233 317 L C 2.102 178.956 176.870 -0.027 0.000 1.144 317 L CA -0.001 54.815 54.840 -0.039 0.000 0.892 317 L CB -0.574 41.458 42.059 -0.045 0.000 1.039 317 L HN 0.146 nan 8.230 nan 0.000 0.442 318 A N 0.990 123.799 122.820 -0.019 0.000 1.896 318 A HA -0.010 4.309 4.320 -0.002 0.000 0.213 318 A C 0.935 178.509 177.584 -0.016 0.000 1.306 318 A CA -0.049 51.980 52.037 -0.013 0.000 0.626 318 A CB -0.285 18.713 19.000 -0.005 0.000 0.994 318 A HN 0.481 nan 8.150 nan 0.000 0.475 319 E N 1.111 121.299 120.200 -0.020 0.000 2.415 319 E HA 0.202 4.551 4.350 -0.002 0.000 0.260 319 E C -2.100 174.480 176.600 -0.033 0.000 1.016 319 E CA -1.172 55.213 56.400 -0.025 0.000 0.924 319 E CB 0.162 29.841 29.700 -0.035 0.000 0.961 319 E HN 0.151 nan 8.360 nan 0.000 0.459 320 P HA -0.218 nan 4.420 nan 0.000 0.219 320 P C -0.158 177.128 177.300 -0.023 0.000 1.158 320 P CA 1.228 64.320 63.100 -0.014 0.000 0.895 320 P CB -0.012 31.691 31.700 0.005 0.000 0.792 321 L N -1.546 119.645 121.223 -0.054 0.000 3.425 321 L HA -0.189 4.150 4.340 -0.002 0.000 0.686 321 L C 0.001 176.909 176.870 0.064 0.000 1.147 321 L CA 0.114 54.886 54.840 -0.114 0.000 1.187 321 L CB -2.152 39.829 42.059 -0.129 0.000 1.670 321 L HN 0.269 nan 8.230 nan 0.000 0.874 322 S N 0.381 116.173 115.700 0.153 0.000 2.567 322 S HA 0.699 5.168 4.470 -0.002 0.000 0.270 322 S C -0.257 174.541 174.600 0.329 0.000 1.152 322 S CA -0.579 57.809 58.200 0.314 0.000 0.835 322 S CB 1.678 64.959 63.200 0.135 0.000 1.115 322 S HN 0.192 nan 8.310 nan 0.000 0.459 323 I N 2.046 122.794 120.570 0.297 0.000 4.070 323 I HA 0.442 4.610 4.170 -0.002 0.000 0.328 323 I C 2.134 178.384 176.117 0.221 0.000 1.298 323 I CA -0.097 61.364 61.300 0.268 0.000 1.173 323 I CB -0.411 37.723 38.000 0.225 0.000 1.051 323 I HN 0.838 nan 8.210 nan 0.000 0.409 324 R N 1.534 122.133 120.500 0.165 0.000 2.179 324 R HA -0.273 4.066 4.340 -0.002 0.000 0.238 324 R C 1.985 178.437 176.300 0.252 0.000 1.119 324 R CA 2.842 59.067 56.100 0.208 0.000 0.915 324 R CB -0.576 29.757 30.300 0.055 0.000 0.870 324 R HN 0.513 nan 8.270 nan 0.000 0.432 325 D N 0.483 120.984 120.400 0.168 0.000 2.149 325 D HA -0.229 4.409 4.640 -0.002 0.000 0.198 325 D C 2.010 178.391 176.300 0.135 0.000 0.990 325 D CA 1.073 55.156 54.000 0.139 0.000 0.839 325 D CB -0.558 40.300 40.800 0.097 0.000 0.948 325 D HN 0.326 nan 8.370 nan 0.000 0.460 326 L N 1.062 122.374 121.223 0.149 0.000 1.961 326 L HA -0.165 4.174 4.340 -0.002 0.000 0.210 326 L C 2.602 179.564 176.870 0.155 0.000 1.072 326 L CA 1.352 56.276 54.840 0.141 0.000 0.749 326 L CB -0.568 41.584 42.059 0.155 0.000 0.889 326 L HN -0.041 nan 8.230 nan 0.000 0.432 327 V N 0.782 120.824 119.914 0.214 0.000 2.219 327 V HA -0.376 3.743 4.120 -0.002 0.000 0.248 327 V C 2.621 178.781 176.094 0.111 0.000 1.053 327 V CA 2.265 64.701 62.300 0.227 0.000 1.009 327 V CB -0.428 31.605 31.823 0.350 0.000 0.636 327 V HN 0.393 nan 8.190 nan 0.000 0.445 328 I N -0.201 120.453 120.570 0.141 0.000 2.094 328 I HA -0.413 3.756 4.170 -0.002 0.000 0.236 328 I C 2.586 178.671 176.117 -0.053 0.000 1.016 328 I CA 2.461 63.769 61.300 0.013 0.000 1.294 328 I CB -1.060 37.021 38.000 0.134 0.000 1.006 328 I HN 0.356 nan 8.210 nan 0.000 0.397 329 T N -0.002 114.555 114.554 0.006 0.000 2.649 329 T HA -0.292 4.057 4.350 -0.002 0.000 0.268 329 T C 2.008 176.681 174.700 -0.044 0.000 1.036 329 T CA 1.890 63.981 62.100 -0.014 0.000 1.157 329 T CB -0.296 68.584 68.868 0.020 0.000 0.861 329 T HN 0.156 nan 8.240 nan 0.000 0.445 330 R N 0.944 121.433 120.500 -0.018 0.000 2.081 330 R HA 0.145 4.483 4.340 -0.002 0.000 0.235 330 R C 2.514 178.697 176.300 -0.196 0.000 1.131 330 R CA 1.420 57.511 56.100 -0.014 0.000 0.960 330 R CB -1.175 29.186 30.300 0.103 0.000 0.856 330 R HN 0.450 nan 8.270 nan 0.000 0.436 331 A N 1.368 123.874 122.820 -0.524 0.000 1.851 331 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 331 A C 2.075 179.314 177.584 -0.574 0.000 1.195 331 A CA 1.914 53.262 52.037 -1.147 0.000 0.622 331 A CB -0.926 17.418 19.000 -1.092 0.000 0.831 331 A HN 0.361 nan 8.150 nan 0.000 0.444 332 L N -2.541 118.487 121.223 -0.325 0.000 2.141 332 L HA -0.017 4.322 4.340 -0.002 0.000 0.209 332 L C 2.607 179.402 176.870 -0.125 0.000 1.094 332 L CA 1.651 56.381 54.840 -0.184 0.000 0.763 332 L CB -1.417 40.589 42.059 -0.088 0.000 0.908 332 L HN 0.304 nan 8.230 nan 0.000 0.437 333 A N 0.982 123.739 122.820 -0.105 0.000 1.877 333 A HA -0.256 4.063 4.320 -0.002 0.000 0.216 333 A C 2.343 179.901 177.584 -0.043 0.000 1.186 333 A CA 1.965 53.972 52.037 -0.050 0.000 0.620 333 A CB -0.568 18.418 19.000 -0.023 0.000 0.822 333 A HN 0.618 nan 8.150 nan 0.000 0.443 334 E N -0.410 119.752 120.200 -0.063 0.000 2.076 334 E HA -0.057 4.291 4.350 -0.002 0.000 0.190 334 E C 1.827 178.414 176.600 -0.021 0.000 0.979 334 E CA 0.766 57.168 56.400 0.003 0.000 0.807 334 E CB -0.197 29.578 29.700 0.127 0.000 0.761 334 E HN 0.620 nan 8.360 nan 0.000 0.454 335 I N 0.773 121.267 120.570 -0.127 0.000 2.361 335 I HA -0.260 3.909 4.170 -0.002 0.000 0.251 335 I C 2.647 178.726 176.117 -0.064 0.000 1.133 335 I CA 0.852 62.085 61.300 -0.112 0.000 1.413 335 I CB -0.230 37.646 38.000 -0.206 0.000 1.073 335 I HN 0.101 nan 8.210 nan 0.000 0.424 336 R N 1.145 121.609 120.500 -0.060 0.000 2.070 336 R HA -0.200 4.139 4.340 -0.002 0.000 0.232 336 R C 2.148 178.439 176.300 -0.017 0.000 1.138 336 R CA 2.041 58.121 56.100 -0.033 0.000 0.936 336 R CB -0.496 29.789 30.300 -0.025 0.000 0.839 336 R HN 0.548 nan 8.270 nan 0.000 0.429 337 E N -0.031 120.164 120.200 -0.008 0.000 2.338 337 E HA -0.093 4.256 4.350 -0.002 0.000 0.197 337 E C 1.444 178.047 176.600 0.006 0.000 1.007 337 E CA 1.369 57.771 56.400 0.002 0.000 0.849 337 E CB -0.222 29.484 29.700 0.011 0.000 0.774 337 E HN 0.213 nan 8.360 nan 0.000 0.506 338 T N 1.137 115.696 114.554 0.008 0.000 2.701 338 T HA -0.124 4.225 4.350 -0.002 0.000 0.263 338 T C 2.131 176.831 174.700 -0.001 0.000 1.040 338 T CA 1.260 63.367 62.100 0.012 0.000 1.147 338 T CB -0.404 68.475 68.868 0.018 0.000 0.865 338 T HN 0.028 nan 8.240 nan 0.000 0.426 339 V N 2.032 121.941 119.914 -0.009 0.000 2.252 339 V HA -0.261 3.858 4.120 -0.002 0.000 0.249 339 V C 2.934 179.020 176.094 -0.014 0.000 1.056 339 V CA 1.964 64.256 62.300 -0.014 0.000 1.022 339 V CB -1.390 30.422 31.823 -0.018 0.000 0.641 339 V HN 0.577 nan 8.190 nan 0.000 0.445 340 A N -0.219 122.594 122.820 -0.012 0.000 1.849 340 A HA -0.291 4.028 4.320 -0.002 0.000 0.217 340 A C 2.344 179.921 177.584 -0.012 0.000 1.202 340 A CA 2.345 54.375 52.037 -0.012 0.000 0.629 340 A CB -0.690 18.305 19.000 -0.008 0.000 0.834 340 A HN 0.501 nan 8.150 nan 0.000 0.447 341 R N -0.924 119.572 120.500 -0.007 0.000 2.096 341 R HA -0.222 4.117 4.340 -0.002 0.000 0.240 341 R C 2.327 178.621 176.300 -0.010 0.000 1.139 341 R CA 1.811 57.908 56.100 -0.006 0.000 0.952 341 R CB -0.356 29.944 30.300 0.000 0.000 0.854 341 R HN 0.685 nan 8.270 nan 0.000 0.436 342 E N 1.207 121.401 120.200 -0.009 0.000 2.038 342 E HA -0.201 4.148 4.350 -0.002 0.000 0.195 342 E C 1.589 178.178 176.600 -0.018 0.000 1.000 342 E CA 1.757 58.150 56.400 -0.011 0.000 0.803 342 E CB -0.010 29.684 29.700 -0.010 0.000 0.750 342 E HN 0.162 nan 8.360 nan 0.000 0.448 343 K N -0.117 120.270 120.400 -0.023 0.000 2.103 343 K HA -0.152 4.167 4.320 -0.002 0.000 0.207 343 K C 2.456 179.037 176.600 -0.033 0.000 1.048 343 K CA 1.458 57.725 56.287 -0.032 0.000 0.930 343 K CB -0.165 32.312 32.500 -0.037 0.000 0.716 343 K HN 0.096 nan 8.250 nan 0.000 0.444 344 R N 0.457 120.940 120.500 -0.028 0.000 2.064 344 R HA -0.079 4.260 4.340 -0.002 0.000 0.228 344 R C 2.477 178.761 176.300 -0.026 0.000 1.144 344 R CA 1.189 57.272 56.100 -0.029 0.000 0.932 344 R CB -0.343 29.943 30.300 -0.024 0.000 0.833 344 R HN 0.126 nan 8.270 nan 0.000 0.429 345 R N 1.038 121.526 120.500 -0.019 0.000 2.134 345 R HA -0.203 4.136 4.340 -0.002 0.000 0.248 345 R C 2.089 178.378 176.300 -0.017 0.000 1.143 345 R CA 1.842 57.933 56.100 -0.016 0.000 0.957 345 R CB -0.131 30.162 30.300 -0.011 0.000 0.867 345 R HN 0.216 nan 8.270 nan 0.000 0.441 346 R N -1.102 119.386 120.500 -0.020 0.000 2.189 346 R HA -0.034 4.305 4.340 -0.002 0.000 0.223 346 R C 1.088 177.372 176.300 -0.026 0.000 1.092 346 R CA 0.956 57.044 56.100 -0.021 0.000 0.989 346 R CB -0.078 30.208 30.300 -0.023 0.000 0.876 346 R HN 0.575 nan 8.270 nan 0.000 0.457 347 G N 1.842 110.623 108.800 -0.031 0.000 2.255 347 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.239 347 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.239 347 G C -0.412 174.460 174.900 -0.047 0.000 1.083 347 G CA 0.006 45.083 45.100 -0.038 0.000 0.826 347 G HN 0.368 nan 8.290 nan 0.000 0.493 348 E N -1.458 118.710 120.200 -0.053 0.000 2.355 348 E HA 0.828 5.177 4.350 -0.002 0.000 0.261 348 E C -0.983 175.570 176.600 -0.079 0.000 0.943 348 E CA -1.196 55.163 56.400 -0.067 0.000 0.806 348 E CB 1.964 31.623 29.700 -0.068 0.000 1.286 348 E HN 0.095 nan 8.360 nan 0.000 0.424 349 L N 0.650 121.809 121.223 -0.106 0.000 2.505 349 L HA 0.527 4.866 4.340 -0.002 0.000 0.266 349 L C -0.232 176.522 176.870 -0.193 0.000 0.954 349 L CA -0.115 54.653 54.840 -0.120 0.000 0.852 349 L CB 1.627 43.621 42.059 -0.108 0.000 1.282 349 L HN 0.670 nan 8.230 nan 0.000 0.403 350 G N 2.282 110.978 108.800 -0.174 0.000 2.557 350 G HA2 0.386 4.345 3.960 -0.002 0.000 0.302 350 G HA3 0.386 4.345 3.960 -0.002 0.000 0.302 350 G C 0.446 175.193 174.900 -0.255 0.000 1.311 350 G CA -0.241 44.709 45.100 -0.251 0.000 1.030 350 G HN 0.521 nan 8.290 nan 0.000 0.509 351 F N -0.713 119.155 119.950 -0.136 0.000 2.149 351 F HA 0.011 4.537 4.527 -0.002 0.000 0.294 351 F C 2.451 178.157 175.800 -0.158 0.000 1.095 351 F CA 0.710 58.548 58.000 -0.269 0.000 1.276 351 F CB 0.305 39.016 39.000 -0.482 0.000 1.023 351 F HN 0.225 nan 8.300 nan 0.000 0.480 352 D N 0.355 120.830 120.400 0.125 0.000 2.221 352 D HA -0.167 4.472 4.640 -0.002 0.000 0.204 352 D C 1.603 177.955 176.300 0.087 0.000 0.982 352 D CA 1.236 55.307 54.000 0.118 0.000 0.857 352 D CB -0.470 40.383 40.800 0.088 0.000 0.934 352 D HN 0.336 nan 8.370 nan 0.000 0.475 353 D N 0.151 120.579 120.400 0.046 0.000 2.123 353 D HA -0.105 4.534 4.640 -0.002 0.000 0.200 353 D C 2.111 178.433 176.300 0.036 0.000 0.976 353 D CA 0.318 54.332 54.000 0.023 0.000 0.831 353 D CB -0.243 40.548 40.800 -0.014 0.000 0.974 353 D HN 0.200 nan 8.370 nan 0.000 0.469 354 M N 0.696 120.331 119.600 0.058 0.000 2.163 354 M HA -0.222 4.257 4.480 -0.002 0.000 0.258 354 M C 1.895 178.247 176.300 0.087 0.000 1.071 354 M CA 1.683 57.031 55.300 0.079 0.000 1.093 354 M CB -0.148 32.548 32.600 0.160 0.000 1.285 354 M HN 0.099 nan 8.290 nan 0.000 0.420 355 L N -2.477 118.834 121.223 0.146 0.000 2.599 355 L HA 0.204 4.543 4.340 -0.002 0.000 0.230 355 L C 1.868 178.775 176.870 0.063 0.000 1.141 355 L CA 0.956 55.862 54.840 0.110 0.000 0.877 355 L CB -0.812 41.342 42.059 0.158 0.000 1.009 355 L HN 0.131 nan 8.230 nan 0.000 0.447 356 S N -0.060 115.675 115.700 0.059 0.000 2.371 356 S HA 0.041 4.510 4.470 -0.002 0.000 0.219 356 S C 2.072 176.682 174.600 0.018 0.000 1.040 356 S CA 0.269 58.492 58.200 0.039 0.000 0.958 356 S CB -0.066 63.157 63.200 0.039 0.000 0.860 356 S HN 0.477 nan 8.310 nan 0.000 0.487 357 R N 1.077 121.582 120.500 0.009 0.000 2.159 357 R HA 0.010 4.349 4.340 -0.002 0.000 0.237 357 R C 2.151 178.443 176.300 -0.013 0.000 1.131 357 R CA 0.665 56.761 56.100 -0.007 0.000 0.982 357 R CB -0.931 29.357 30.300 -0.020 0.000 0.868 357 R HN 0.439 nan 8.270 nan 0.000 0.453 358 L N 0.705 121.921 121.223 -0.012 0.000 2.313 358 L HA -0.145 4.194 4.340 -0.002 0.000 0.214 358 L C 1.730 178.590 176.870 -0.017 0.000 1.119 358 L CA 1.222 56.046 54.840 -0.027 0.000 0.809 358 L CB -0.159 41.874 42.059 -0.042 0.000 0.933 358 L HN 0.071 nan 8.230 nan 0.000 0.449 359 D N -0.763 119.634 120.400 -0.006 0.000 2.091 359 D HA -0.167 4.471 4.640 -0.002 0.000 0.199 359 D C 2.166 178.465 176.300 -0.001 0.000 0.980 359 D CA 1.520 55.517 54.000 -0.004 0.000 0.831 359 D CB 0.205 41.008 40.800 0.005 0.000 0.987 359 D HN 0.215 nan 8.370 nan 0.000 0.460 360 S N 0.232 115.933 115.700 0.002 0.000 2.420 360 S HA -0.193 4.276 4.470 -0.002 0.000 0.237 360 S C 2.120 176.720 174.600 -0.000 0.000 1.023 360 S CA 1.055 59.257 58.200 0.003 0.000 0.991 360 S CB -0.541 62.660 63.200 0.002 0.000 0.792 360 S HN 0.439 nan 8.310 nan 0.000 0.488 361 A N 1.443 124.260 122.820 -0.006 0.000 1.968 361 A HA 0.212 4.530 4.320 -0.002 0.000 0.217 361 A C 2.018 179.599 177.584 -0.004 0.000 1.169 361 A CA 0.774 52.807 52.037 -0.006 0.000 0.638 361 A CB -0.524 18.467 19.000 -0.016 0.000 0.812 361 A HN 0.489 nan 8.150 nan 0.000 0.446 362 L N -1.598 119.621 121.223 -0.007 0.000 2.554 362 L HA 0.076 4.415 4.340 -0.002 0.000 0.226 362 L C 2.378 179.248 176.870 -0.000 0.000 1.137 362 L CA 0.410 55.246 54.840 -0.007 0.000 0.863 362 L CB -0.152 41.900 42.059 -0.011 0.000 0.985 362 L HN 0.327 nan 8.230 nan 0.000 0.451 363 R N -0.712 119.789 120.500 0.003 0.000 2.307 363 R HA 0.080 4.419 4.340 -0.002 0.000 0.200 363 R C 1.291 177.596 176.300 0.008 0.000 0.893 363 R CA 0.095 56.200 56.100 0.007 0.000 1.042 363 R CB 0.456 30.762 30.300 0.009 0.000 1.059 363 R HN 0.281 nan 8.270 nan 0.000 0.530 364 S N 0.653 116.357 115.700 0.007 0.000 2.598 364 S HA -0.008 4.460 4.470 -0.002 0.000 0.256 364 S C 0.999 175.604 174.600 0.009 0.000 1.350 364 S CA -0.409 57.795 58.200 0.008 0.000 0.984 364 S CB 0.869 64.075 63.200 0.009 0.000 0.930 364 S HN 0.158 nan 8.310 nan 0.000 0.577 365 E N 0.914 121.120 120.200 0.009 0.000 2.072 365 E HA -0.104 4.245 4.350 -0.002 0.000 0.191 365 E C 1.688 178.293 176.600 0.010 0.000 0.985 365 E CA 1.346 57.751 56.400 0.009 0.000 0.801 365 E CB -0.363 29.342 29.700 0.007 0.000 0.750 365 E HN 0.845 nan 8.360 nan 0.000 0.452 366 S N 0.443 116.150 115.700 0.012 0.000 2.981 366 S HA 0.049 4.518 4.470 -0.002 0.000 0.235 366 S C 1.425 176.034 174.600 0.015 0.000 0.983 366 S CA 0.231 58.441 58.200 0.017 0.000 1.051 366 S CB -0.040 63.175 63.200 0.025 0.000 0.814 366 S HN 0.292 nan 8.310 nan 0.000 0.518 367 G N 0.786 109.592 108.800 0.009 0.000 2.838 367 G HA2 0.088 4.047 3.960 -0.002 0.000 0.210 367 G HA3 0.088 4.047 3.960 -0.002 0.000 0.210 367 G C 1.383 176.283 174.900 0.000 0.000 1.153 367 G CA -0.142 44.961 45.100 0.004 0.000 0.778 367 G HN 0.402 nan 8.290 nan 0.000 0.539 368 E N 0.470 120.672 120.200 0.003 0.000 2.102 368 E HA 0.033 4.382 4.350 -0.002 0.000 0.190 368 E C 2.807 179.406 176.600 -0.001 0.000 0.971 368 E CA 0.163 56.563 56.400 -0.001 0.000 0.821 368 E CB -0.528 29.173 29.700 0.002 0.000 0.777 368 E HN 0.197 nan 8.360 nan 0.000 0.460 369 V N 1.777 121.696 119.914 0.007 0.000 2.282 369 V HA -0.260 3.859 4.120 -0.002 0.000 0.249 369 V C 2.465 178.564 176.094 0.009 0.000 1.057 369 V CA 1.684 63.992 62.300 0.012 0.000 1.032 369 V CB -0.560 31.277 31.823 0.024 0.000 0.645 369 V HN 0.176 nan 8.190 nan 0.000 0.447 370 L N 0.746 121.974 121.223 0.008 0.000 1.994 370 L HA -0.078 4.261 4.340 -0.002 0.000 0.208 370 L C 2.505 179.365 176.870 -0.017 0.000 1.071 370 L CA 2.439 57.280 54.840 0.001 0.000 0.745 370 L CB -1.148 40.910 42.059 -0.001 0.000 0.892 370 L HN 0.229 nan 8.230 nan 0.000 0.431 371 A N -0.479 122.322 122.820 -0.031 0.000 1.917 371 A HA -0.208 4.111 4.320 -0.002 0.000 0.219 371 A C 2.440 179.979 177.584 -0.076 0.000 1.182 371 A CA 2.287 54.283 52.037 -0.068 0.000 0.633 371 A CB -1.275 17.687 19.000 -0.063 0.000 0.819 371 A HN 0.617 nan 8.150 nan 0.000 0.448 372 A N -0.294 122.503 122.820 -0.039 0.000 1.873 372 A HA 0.190 4.509 4.320 -0.002 0.000 0.215 372 A C 2.538 180.114 177.584 -0.013 0.000 1.186 372 A CA 2.155 54.178 52.037 -0.024 0.000 0.616 372 A CB -1.190 17.805 19.000 -0.008 0.000 0.823 372 A HN 1.136 nan 8.150 nan 0.000 0.442 373 A N 0.392 123.209 122.820 -0.005 0.000 1.852 373 A HA -0.217 4.101 4.320 -0.002 0.000 0.217 373 A C 2.121 179.710 177.584 0.009 0.000 1.215 373 A CA 1.879 53.918 52.037 0.003 0.000 0.641 373 A CB -0.960 18.046 19.000 0.010 0.000 0.838 373 A HN 0.515 nan 8.150 nan 0.000 0.450 374 I N -1.207 119.379 120.570 0.027 0.000 2.087 374 I HA -0.343 3.825 4.170 -0.002 0.000 0.240 374 I C 2.727 178.910 176.117 0.110 0.000 1.054 374 I CA 2.145 63.514 61.300 0.114 0.000 1.311 374 I CB -0.448 37.617 38.000 0.109 0.000 1.024 374 I HN 0.389 nan 8.210 nan 0.000 0.402 375 R N 0.214 120.693 120.500 -0.035 0.000 2.174 375 R HA -0.209 4.129 4.340 -0.002 0.000 0.253 375 R C 2.199 178.567 176.300 0.113 0.000 1.165 375 R CA 2.187 58.277 56.100 -0.016 0.000 0.984 375 R CB -0.272 29.969 30.300 -0.098 0.000 0.873 375 R HN 0.374 nan 8.270 nan 0.000 0.456 376 T N -0.111 114.474 114.554 0.053 0.000 2.851 376 T HA -0.019 4.330 4.350 -0.002 0.000 0.262 376 T C 1.727 176.416 174.700 -0.018 0.000 1.043 376 T CA 0.552 62.672 62.100 0.033 0.000 1.140 376 T CB -0.083 68.788 68.868 0.005 0.000 0.872 376 T HN 0.165 nan 8.240 nan 0.000 0.446 377 R N 0.293 120.727 120.500 -0.109 0.000 2.073 377 R HA 0.027 4.366 4.340 -0.002 0.000 0.234 377 R C -0.211 175.825 176.300 -0.439 0.000 1.134 377 R CA 1.037 56.902 56.100 -0.392 0.000 0.952 377 R CB -0.321 29.555 30.300 -0.707 0.000 0.850 377 R HN 0.362 nan 8.270 nan 0.000 0.433 378 F N 1.248 121.352 119.950 0.256 0.000 2.363 378 F HA 0.329 4.854 4.527 -0.002 0.000 0.366 378 F C -1.417 174.612 175.800 0.382 0.000 1.083 378 F CA -2.651 55.531 58.000 0.303 0.000 1.176 378 F CB 1.533 40.821 39.000 0.480 0.000 1.432 378 F HN -0.021 nan 8.300 nan 0.000 0.482 379 P HA -0.101 nan 4.420 nan 0.000 0.216 379 P C 0.420 177.886 177.300 0.276 0.000 1.153 379 P CA 1.145 64.435 63.100 0.316 0.000 0.844 379 P CB 0.982 32.791 31.700 0.183 0.000 0.787 380 V N -1.212 118.700 119.914 -0.003 0.000 2.680 380 V HA 0.804 4.922 4.120 -0.002 0.000 0.309 380 V C -1.547 174.326 176.094 -0.368 0.000 1.052 380 V CA -1.041 61.125 62.300 -0.223 0.000 0.908 380 V CB 1.639 33.244 31.823 -0.364 0.000 1.001 380 V HN 0.216 nan 8.190 nan 0.000 0.431 381 A N 7.166 129.575 122.820 -0.686 0.000 2.422 381 A HA 0.843 5.162 4.320 -0.002 0.000 0.302 381 A C -0.778 176.395 177.584 -0.686 0.000 1.041 381 A CA -0.764 50.801 52.037 -0.786 0.000 0.708 381 A CB 1.770 19.966 19.000 -1.340 0.000 1.257 381 A HN 0.919 nan 8.150 nan 0.000 0.414 382 M N 3.546 122.839 119.600 -0.513 0.000 2.088 382 M HA 0.364 4.843 4.480 -0.002 0.000 0.346 382 M C -0.978 175.059 176.300 -0.438 0.000 1.111 382 M CA -0.404 54.649 55.300 -0.412 0.000 1.017 382 M CB 0.950 33.392 32.600 -0.264 0.000 1.568 382 M HN 0.428 nan 8.290 nan 0.000 0.445 383 I N 3.300 123.587 120.570 -0.473 0.000 2.321 383 I HA 0.259 4.428 4.170 -0.002 0.000 0.291 383 I C 0.081 176.079 176.117 -0.198 0.000 0.998 383 I CA -0.382 60.676 61.300 -0.404 0.000 1.227 383 I CB 0.901 38.549 38.000 -0.587 0.000 1.368 383 I HN 0.686 nan 8.210 nan 0.000 0.466 384 D N 6.289 126.630 120.400 -0.098 0.000 2.326 384 D HA 0.124 4.763 4.640 -0.002 0.000 0.251 384 D C 0.074 176.402 176.300 0.048 0.000 1.023 384 D CA -0.085 53.895 54.000 -0.033 0.000 0.966 384 D CB 1.695 42.461 40.800 -0.057 0.000 1.156 384 D HN 0.431 nan 8.370 nan 0.000 0.494 385 E N 0.487 120.715 120.200 0.048 0.000 2.805 385 E HA -0.267 4.081 4.350 -0.002 0.000 0.266 385 E C 0.873 177.513 176.600 0.068 0.000 1.092 385 E CA 0.288 56.715 56.400 0.046 0.000 0.781 385 E CB -2.131 27.605 29.700 0.059 0.000 1.379 385 E HN 0.589 nan 8.360 nan 0.000 0.433 386 F N 2.134 122.058 119.950 -0.043 0.000 2.214 386 F HA -0.289 4.237 4.527 -0.002 0.000 0.302 386 F C 2.553 178.343 175.800 -0.017 0.000 1.063 386 F CA 2.424 60.428 58.000 0.006 0.000 1.319 386 F CB -0.009 39.020 39.000 0.048 0.000 1.046 386 F HN 0.198 nan 8.300 nan 0.000 0.505 387 Q N -0.400 119.257 119.800 -0.238 0.000 2.368 387 Q HA -0.199 4.139 4.340 -0.002 0.000 0.210 387 Q C 0.347 176.105 176.000 -0.404 0.000 0.982 387 Q CA 1.779 57.234 55.803 -0.581 0.000 0.884 387 Q CB -0.877 27.499 28.738 -0.603 0.000 0.933 387 Q HN 0.391 nan 8.270 nan 0.000 0.460 388 D N 2.202 122.431 120.400 -0.284 0.000 2.587 388 D HA 0.094 4.732 4.640 -0.002 0.000 0.233 388 D C 0.296 176.430 176.300 -0.278 0.000 1.213 388 D CA 0.342 54.182 54.000 -0.267 0.000 0.827 388 D CB 0.328 40.963 40.800 -0.276 0.000 1.006 388 D HN 0.449 nan 8.370 nan 0.000 0.490 389 T N -1.307 113.077 114.554 -0.285 0.000 2.900 389 T HA 0.380 4.729 4.350 -0.002 0.000 0.326 389 T C 0.154 174.788 174.700 -0.111 0.000 1.145 389 T CA -0.652 61.352 62.100 -0.161 0.000 0.963 389 T CB 1.466 70.277 68.868 -0.095 0.000 1.512 389 T HN 0.123 nan 8.240 nan 0.000 0.552 390 D N -1.778 118.616 120.400 -0.010 0.000 2.648 390 D HA 0.215 4.854 4.640 -0.002 0.000 0.244 390 D C -2.496 173.871 176.300 0.112 0.000 1.244 390 D CA -1.534 52.489 54.000 0.038 0.000 0.772 390 D CB 1.201 42.022 40.800 0.034 0.000 1.379 390 D HN 0.330 nan 8.370 nan 0.000 0.428 391 P HA -0.347 nan 4.420 nan 0.000 0.221 391 P C 1.433 178.819 177.300 0.144 0.000 1.160 391 P CA 1.842 65.047 63.100 0.176 0.000 0.933 391 P CB 0.293 32.080 31.700 0.146 0.000 0.793 392 Q N -0.520 119.336 119.800 0.093 0.000 2.077 392 Q HA -0.232 4.107 4.340 -0.002 0.000 0.206 392 Q C 2.723 178.725 176.000 0.004 0.000 0.989 392 Q CA 1.842 57.675 55.803 0.051 0.000 0.853 392 Q CB -0.366 28.402 28.738 0.051 0.000 0.907 392 Q HN 0.458 nan 8.270 nan 0.000 0.418 393 Q N -0.872 118.929 119.800 0.001 0.000 2.016 393 Q HA -0.207 4.132 4.340 -0.002 0.000 0.200 393 Q C 1.931 177.847 176.000 -0.140 0.000 0.978 393 Q CA 1.424 57.132 55.803 -0.159 0.000 0.833 393 Q CB -0.257 28.459 28.738 -0.037 0.000 0.895 393 Q HN 0.394 nan 8.270 nan 0.000 0.427 394 Y N 1.539 121.891 120.300 0.087 0.000 2.114 394 Y HA -0.279 4.270 4.550 -0.002 0.000 0.282 394 Y C 2.336 178.354 175.900 0.197 0.000 1.165 394 Y CA 1.783 60.052 58.100 0.281 0.000 1.148 394 Y CB -0.248 38.355 38.460 0.238 0.000 0.972 394 Y HN -0.046 nan 8.280 nan 0.000 0.504 395 R N 0.114 120.558 120.500 -0.093 0.000 2.073 395 R HA -0.171 4.167 4.340 -0.002 0.000 0.234 395 R C 2.398 178.635 176.300 -0.105 0.000 1.134 395 R CA 2.035 58.043 56.100 -0.153 0.000 0.952 395 R CB -0.533 29.751 30.300 -0.027 0.000 0.850 395 R HN 0.458 nan 8.270 nan 0.000 0.433 396 I N 0.085 120.594 120.570 -0.102 0.000 2.151 396 I HA -0.350 3.819 4.170 -0.002 0.000 0.243 396 I C 2.015 178.172 176.117 0.067 0.000 1.080 396 I CA 1.723 62.977 61.300 -0.078 0.000 1.339 396 I CB -0.383 37.501 38.000 -0.193 0.000 1.039 396 I HN 0.214 nan 8.210 nan 0.000 0.409 397 F N 0.903 120.959 119.950 0.177 0.000 2.146 397 F HA -0.183 4.342 4.527 -0.002 0.000 0.298 397 F C 2.858 178.782 175.800 0.205 0.000 1.096 397 F CA 0.867 59.049 58.000 0.303 0.000 1.275 397 F CB -0.291 38.892 39.000 0.306 0.000 1.008 397 F HN 0.088 nan 8.300 nan 0.000 0.480 398 R N 1.041 121.604 120.500 0.105 0.000 2.062 398 R HA -0.091 4.248 4.340 -0.002 0.000 0.226 398 R C 2.124 178.503 176.300 0.133 0.000 1.125 398 R CA 1.176 57.315 56.100 0.064 0.000 0.966 398 R CB -0.897 29.243 30.300 -0.267 0.000 0.861 398 R HN 0.101 nan 8.270 nan 0.000 0.433 399 R N 1.382 121.908 120.500 0.043 0.000 2.174 399 R HA -0.107 4.232 4.340 -0.002 0.000 0.253 399 R C 1.884 178.185 176.300 0.000 0.000 1.165 399 R CA 1.956 58.078 56.100 0.035 0.000 0.984 399 R CB -0.316 29.986 30.300 0.004 0.000 0.873 399 R HN 0.489 nan 8.270 nan 0.000 0.456 400 I N -2.348 118.196 120.570 -0.043 0.000 2.731 400 I HA -0.057 4.111 4.170 -0.002 0.000 0.260 400 I C 1.615 177.499 176.117 -0.388 0.000 1.138 400 I CA 0.420 61.531 61.300 -0.315 0.000 1.461 400 I CB -0.170 37.412 38.000 -0.697 0.000 1.128 400 I HN 0.208 nan 8.210 nan 0.000 0.438 401 W N -0.034 121.364 121.300 0.163 0.000 2.842 401 W HA 0.175 4.834 4.660 -0.002 0.000 0.267 401 W C 1.265 177.869 176.519 0.142 0.000 1.219 401 W CA -0.115 57.310 57.345 0.133 0.000 1.458 401 W CB -0.365 29.148 29.460 0.090 0.000 1.006 401 W HN 0.075 nan 8.180 nan 0.000 0.603 402 H N 1.412 120.613 119.070 0.219 0.000 2.972 402 H HA -0.092 4.462 4.556 -0.002 0.000 0.343 402 H C 0.257 175.671 175.328 0.144 0.000 1.054 402 H CA 0.757 56.873 56.048 0.113 0.000 1.412 402 H CB 0.319 30.121 29.762 0.067 0.000 1.385 402 H HN -0.013 nan 8.280 nan 0.000 0.600 403 H N 2.442 121.362 119.070 -0.250 0.000 2.385 403 H HA -0.231 4.324 4.556 -0.002 0.000 0.319 403 H C -0.474 174.810 175.328 -0.075 0.000 0.985 403 H CA 1.100 57.000 56.048 -0.246 0.000 1.067 403 H CB -0.829 28.655 29.762 -0.463 0.000 1.610 403 H HN 0.573 nan 8.280 nan 0.000 0.361 404 Q N 1.411 121.288 119.800 0.128 0.000 2.444 404 Q HA 0.360 4.699 4.340 -0.002 0.000 0.251 404 Q C -2.593 173.483 176.000 0.127 0.000 0.939 404 Q CA -1.543 54.330 55.803 0.116 0.000 0.740 404 Q CB 1.701 30.516 28.738 0.129 0.000 1.308 404 Q HN 0.103 nan 8.270 nan 0.000 0.461 405 P HA 0.025 nan 4.420 nan 0.000 0.271 405 P C -0.398 176.951 177.300 0.082 0.000 1.238 405 P CA 0.265 63.407 63.100 0.070 0.000 0.794 405 P CB 0.536 32.258 31.700 0.036 0.000 0.959 406 E N -2.728 117.496 120.200 0.041 0.000 3.673 406 E HA -0.171 4.178 4.350 -0.002 0.000 0.309 406 E C 0.201 176.942 176.600 0.235 0.000 0.819 406 E CA 1.745 58.172 56.400 0.046 0.000 1.111 406 E CB -2.123 27.613 29.700 0.060 0.000 1.561 406 E HN 0.744 nan 8.360 nan 0.000 0.450 407 T N -3.357 111.366 114.554 0.282 0.000 2.883 407 T HA 0.848 5.197 4.350 -0.002 0.000 0.296 407 T C -0.828 174.069 174.700 0.327 0.000 1.117 407 T CA -0.182 62.160 62.100 0.403 0.000 1.006 407 T CB 2.826 71.974 68.868 0.467 0.000 1.191 407 T HN 0.440 nan 8.240 nan 0.000 0.508 408 A N 1.195 124.148 122.820 0.221 0.000 2.486 408 A HA 0.771 5.090 4.320 -0.002 0.000 0.300 408 A C -1.626 175.864 177.584 -0.156 0.000 1.048 408 A CA -0.760 51.321 52.037 0.073 0.000 0.696 408 A CB 1.778 20.843 19.000 0.108 0.000 1.278 408 A HN 1.033 nan 8.150 nan 0.000 0.405 409 L N 3.031 124.153 121.223 -0.167 0.000 2.401 409 L HA 0.546 4.885 4.340 -0.002 0.000 0.263 409 L C -1.300 175.386 176.870 -0.306 0.000 1.004 409 L CA -0.139 54.491 54.840 -0.349 0.000 0.881 409 L CB 0.761 42.669 42.059 -0.251 0.000 1.219 409 L HN 0.606 nan 8.230 nan 0.000 0.441 410 L N 5.799 126.810 121.223 -0.353 0.000 2.278 410 L HA 0.409 4.748 4.340 -0.002 0.000 0.287 410 L C -0.561 176.087 176.870 -0.372 0.000 1.072 410 L CA -0.304 54.359 54.840 -0.295 0.000 0.819 410 L CB 0.615 42.522 42.059 -0.255 0.000 1.176 410 L HN 0.446 nan 8.230 nan 0.000 0.435 411 L N 5.922 126.926 121.223 -0.364 0.000 2.277 411 L HA 0.555 4.894 4.340 -0.002 0.000 0.284 411 L C -0.347 176.388 176.870 -0.225 0.000 1.028 411 L CA -0.200 54.345 54.840 -0.492 0.000 0.835 411 L CB 1.664 43.205 42.059 -0.864 0.000 1.215 411 L HN 0.583 nan 8.230 nan 0.000 0.425 412 I N 2.374 122.861 120.570 -0.138 0.000 2.530 412 I HA 0.929 5.097 4.170 -0.002 0.000 0.297 412 I C 0.166 176.313 176.117 0.050 0.000 1.011 412 I CA 0.114 61.396 61.300 -0.030 0.000 1.107 412 I CB 1.781 39.745 38.000 -0.059 0.000 1.285 412 I HN 0.631 nan 8.210 nan 0.000 0.436 413 G N 4.821 113.656 108.800 0.060 0.000 2.392 413 G HA2 0.225 4.184 3.960 -0.002 0.000 0.260 413 G HA3 0.225 4.184 3.960 -0.002 0.000 0.260 413 G C -2.213 172.660 174.900 -0.044 0.000 1.226 413 G CA -0.352 44.762 45.100 0.023 0.000 0.913 413 G HN 0.607 nan 8.290 nan 0.000 0.483 414 D N -0.060 120.240 120.400 -0.166 0.000 2.591 414 D HA 0.348 4.987 4.640 -0.002 0.000 0.222 414 D C -1.864 174.188 176.300 -0.413 0.000 1.360 414 D CA -1.167 52.699 54.000 -0.223 0.000 0.967 414 D CB 2.510 43.240 40.800 -0.116 0.000 1.456 414 D HN 0.089 nan 8.370 nan 0.000 0.588 415 P HA -0.106 nan 4.420 nan 0.000 0.222 415 P C 0.812 177.785 177.300 -0.545 0.000 1.147 415 P CA 0.641 63.332 63.100 -0.682 0.000 0.790 415 P CB 0.474 31.840 31.700 -0.557 0.000 0.780 416 K N -0.374 119.672 120.400 -0.591 0.000 2.504 416 K HA -0.043 4.275 4.320 -0.002 0.000 0.195 416 K C 1.517 177.909 176.600 -0.346 0.000 1.036 416 K CA 0.748 56.543 56.287 -0.821 0.000 0.984 416 K CB -0.075 31.725 32.500 -1.167 0.000 0.788 416 K HN 0.329 nan 8.250 nan 0.000 0.488 417 Q N -0.149 119.514 119.800 -0.229 0.000 2.157 417 Q HA 0.221 4.560 4.340 -0.002 0.000 0.229 417 Q C -0.720 175.188 176.000 -0.153 0.000 0.827 417 Q CA -0.383 55.353 55.803 -0.113 0.000 1.055 417 Q CB 1.542 30.254 28.738 -0.043 0.000 1.157 417 Q HN 0.114 nan 8.270 nan 0.000 0.482 418 A N 1.749 124.442 122.820 -0.211 0.000 2.666 418 A HA 0.284 4.603 4.320 -0.002 0.000 0.312 418 A C 0.751 178.239 177.584 -0.160 0.000 1.471 418 A CA -0.201 51.723 52.037 -0.189 0.000 1.134 418 A CB -0.773 18.078 19.000 -0.247 0.000 1.129 418 A HN 0.572 nan 8.150 nan 0.000 0.539 419 I N -2.004 118.438 120.570 -0.214 0.000 4.081 419 I HA 0.253 4.422 4.170 -0.002 0.000 0.333 419 I C -0.166 175.751 176.117 -0.332 0.000 1.413 419 I CA -0.165 60.959 61.300 -0.293 0.000 1.110 419 I CB 0.024 37.722 38.000 -0.503 0.000 1.082 419 I HN 0.489 nan 8.210 nan 0.000 0.402 420 Y N 2.082 122.334 120.300 -0.081 0.000 2.881 420 Y HA 0.505 5.054 4.550 -0.002 0.000 0.369 420 Y C 2.224 177.896 175.900 -0.381 0.000 1.066 420 Y CA -0.010 57.913 58.100 -0.294 0.000 1.616 420 Y CB 0.087 38.336 38.460 -0.352 0.000 1.436 420 Y HN 0.275 nan 8.280 nan 0.000 0.505 421 A N 0.907 123.691 122.820 -0.061 0.000 1.859 421 A HA -0.298 4.020 4.320 -0.002 0.000 0.217 421 A C 1.981 179.576 177.584 0.018 0.000 1.198 421 A CA 2.291 54.358 52.037 0.050 0.000 0.629 421 A CB -1.223 17.884 19.000 0.179 0.000 0.830 421 A HN 0.739 nan 8.150 nan 0.000 0.446 422 F N -0.256 119.777 119.950 0.138 0.000 2.192 422 F HA -0.163 4.363 4.527 -0.002 0.000 0.301 422 F C 2.056 177.913 175.800 0.095 0.000 1.079 422 F CA 1.646 59.704 58.000 0.096 0.000 1.303 422 F CB -0.564 38.476 39.000 0.066 0.000 1.024 422 F HN 0.071 nan 8.300 nan 0.000 0.494 423 R N 0.142 120.241 120.500 -0.667 0.000 2.119 423 R HA 0.227 4.566 4.340 -0.002 0.000 0.222 423 R C 1.754 177.990 176.300 -0.106 0.000 1.088 423 R CA 1.038 56.971 56.100 -0.278 0.000 0.984 423 R CB -0.254 29.839 30.300 -0.345 0.000 0.884 423 R HN 0.625 nan 8.270 nan 0.000 0.447 424 G N -1.246 107.493 108.800 -0.102 0.000 3.254 424 G HA2 -0.113 3.845 3.960 -0.002 0.000 0.219 424 G HA3 -0.113 3.845 3.960 -0.002 0.000 0.219 424 G C -0.157 174.733 174.900 -0.017 0.000 0.964 424 G CA -0.211 44.882 45.100 -0.012 0.000 0.823 424 G HN 0.386 nan 8.290 nan 0.000 0.579 425 A N 0.902 123.668 122.820 -0.091 0.000 2.522 425 A HA 0.486 4.805 4.320 -0.002 0.000 0.256 425 A C -0.202 177.359 177.584 -0.038 0.000 1.086 425 A CA 0.744 52.720 52.037 -0.102 0.000 0.763 425 A CB 0.280 19.198 19.000 -0.138 0.000 1.024 425 A HN 0.227 nan 8.150 nan 0.000 0.502 426 D N 2.764 123.142 120.400 -0.038 0.000 2.443 426 D HA 0.261 4.900 4.640 -0.002 0.000 0.221 426 D C 0.781 177.022 176.300 -0.099 0.000 1.097 426 D CA -0.516 53.472 54.000 -0.020 0.000 0.865 426 D CB 0.610 41.450 40.800 0.066 0.000 1.034 426 D HN 0.304 nan 8.370 nan 0.000 0.511 427 I N 3.881 124.374 120.570 -0.128 0.000 2.361 427 I HA -0.131 4.038 4.170 -0.002 0.000 0.251 427 I C 1.336 177.259 176.117 -0.324 0.000 1.133 427 I CA 1.356 62.531 61.300 -0.208 0.000 1.413 427 I CB -0.261 37.619 38.000 -0.201 0.000 1.073 427 I HN 0.383 nan 8.210 nan 0.000 0.424 428 F N -0.008 119.695 119.950 -0.412 0.000 2.163 428 F HA -0.174 4.351 4.527 -0.002 0.000 0.297 428 F C 2.716 178.282 175.800 -0.390 0.000 1.094 428 F CA 1.866 59.533 58.000 -0.556 0.000 1.290 428 F CB -0.987 37.667 39.000 -0.578 0.000 1.017 428 F HN 0.123 nan 8.300 nan 0.000 0.483 429 T N -1.586 112.946 114.554 -0.036 0.000 3.051 429 T HA -0.251 4.098 4.350 -0.002 0.000 0.269 429 T C 1.763 176.305 174.700 -0.263 0.000 1.127 429 T CA 1.069 63.133 62.100 -0.060 0.000 1.107 429 T CB -0.626 68.264 68.868 0.037 0.000 0.898 429 T HN 0.442 nan 8.240 nan 0.000 0.517 430 Y N 1.168 121.226 120.300 -0.404 0.000 2.243 430 Y HA 0.203 4.752 4.550 -0.002 0.000 0.293 430 Y C 2.238 177.930 175.900 -0.348 0.000 1.124 430 Y CA 1.170 58.978 58.100 -0.487 0.000 1.159 430 Y CB -0.264 37.911 38.460 -0.476 0.000 1.008 430 Y HN 0.140 nan 8.280 nan 0.000 0.527 431 M N 0.443 119.817 119.600 -0.377 0.000 2.202 431 M HA -0.196 4.283 4.480 -0.002 0.000 0.262 431 M C 2.174 178.329 176.300 -0.241 0.000 1.063 431 M CA 2.213 57.261 55.300 -0.419 0.000 1.097 431 M CB -0.427 31.773 32.600 -0.666 0.000 1.382 431 M HN 0.267 nan 8.290 nan 0.000 0.413 432 K N 1.208 121.533 120.400 -0.125 0.000 2.001 432 K HA -0.037 4.281 4.320 -0.002 0.000 0.208 432 K C 1.970 178.515 176.600 -0.092 0.000 1.048 432 K CA 1.674 58.061 56.287 0.167 0.000 0.932 432 K CB -0.423 32.258 32.500 0.302 0.000 0.715 432 K HN 0.134 nan 8.250 nan 0.000 0.437 433 A N 1.497 124.082 122.820 -0.391 0.000 1.948 433 A HA -0.224 4.095 4.320 -0.002 0.000 0.220 433 A C 2.289 179.706 177.584 -0.280 0.000 1.177 433 A CA 1.887 53.636 52.037 -0.479 0.000 0.636 433 A CB -0.758 17.816 19.000 -0.710 0.000 0.815 433 A HN 0.493 nan 8.150 nan 0.000 0.449 434 R N -0.409 119.861 120.500 -0.382 0.000 2.120 434 R HA -0.089 4.249 4.340 -0.002 0.000 0.234 434 R C 2.183 178.447 176.300 -0.059 0.000 1.123 434 R CA 1.599 57.524 56.100 -0.292 0.000 0.975 434 R CB -0.231 29.817 30.300 -0.420 0.000 0.866 434 R HN 0.512 nan 8.270 nan 0.000 0.446 435 S N 0.555 116.231 115.700 -0.040 0.000 2.368 435 S HA -0.101 4.368 4.470 -0.002 0.000 0.224 435 S C 1.527 176.080 174.600 -0.078 0.000 1.029 435 S CA 1.241 59.452 58.200 0.017 0.000 0.988 435 S CB -0.028 63.219 63.200 0.078 0.000 0.838 435 S HN 0.419 nan 8.310 nan 0.000 0.462 436 E N 0.649 120.795 120.200 -0.090 0.000 2.208 436 E HA -0.029 4.320 4.350 -0.002 0.000 0.193 436 E C 0.537 176.936 176.600 -0.335 0.000 0.988 436 E CA 0.473 56.782 56.400 -0.151 0.000 0.828 436 E CB 0.169 29.832 29.700 -0.061 0.000 0.763 436 E HN 0.442 nan 8.360 nan 0.000 0.478 437 V N -1.075 118.676 119.914 -0.273 0.000 2.472 437 V HA 0.224 4.342 4.120 -0.002 0.000 0.290 437 V C 0.488 176.389 176.094 -0.322 0.000 1.037 437 V CA -0.639 61.515 62.300 -0.244 0.000 0.908 437 V CB 1.530 33.315 31.823 -0.065 0.000 0.985 437 V HN 0.094 nan 8.190 nan 0.000 0.454 438 H N 3.424 122.506 119.070 0.020 0.000 2.582 438 H HA 0.435 4.990 4.556 -0.002 0.000 0.269 438 H C 1.204 176.418 175.328 -0.191 0.000 0.962 438 H CA 0.907 56.886 56.048 -0.115 0.000 1.230 438 H CB 0.659 30.377 29.762 -0.075 0.000 1.445 438 H HN 0.864 nan 8.280 nan 0.000 0.528 439 A N 2.198 125.056 122.820 0.063 0.000 2.350 439 A HA 0.253 4.572 4.320 -0.002 0.000 0.293 439 A C -0.413 177.225 177.584 0.090 0.000 1.231 439 A CA -0.100 51.941 52.037 0.006 0.000 0.883 439 A CB -0.464 18.659 19.000 0.204 0.000 1.133 439 A HN 0.398 nan 8.150 nan 0.000 0.533 440 H N 0.680 119.541 119.070 -0.348 0.000 2.533 440 H HA 0.650 5.205 4.556 -0.002 0.000 0.343 440 H C -1.355 173.620 175.328 -0.589 0.000 1.160 440 H CA -0.364 55.532 56.048 -0.254 0.000 1.218 440 H CB 1.600 31.274 29.762 -0.145 0.000 1.566 440 H HN 0.709 nan 8.280 nan 0.000 0.522 441 Y N -0.618 119.741 120.300 0.099 0.000 2.638 441 Y HA 0.327 4.876 4.550 -0.002 0.000 0.335 441 Y C -0.465 175.447 175.900 0.019 0.000 1.155 441 Y CA -0.769 57.360 58.100 0.049 0.000 1.046 441 Y CB 2.498 40.977 38.460 0.032 0.000 1.303 441 Y HN 0.543 nan 8.280 nan 0.000 0.460 442 T N 2.013 116.668 114.554 0.168 0.000 2.894 442 T HA 0.538 4.887 4.350 -0.002 0.000 0.309 442 T C -1.393 173.355 174.700 0.081 0.000 1.208 442 T CA -0.900 61.249 62.100 0.081 0.000 1.016 442 T CB 1.392 70.270 68.868 0.017 0.000 1.192 442 T HN 0.397 nan 8.240 nan 0.000 0.491 443 L N 2.954 124.215 121.223 0.064 0.000 2.264 443 L HA 0.343 4.682 4.340 -0.002 0.000 0.289 443 L C 1.096 177.972 176.870 0.011 0.000 1.044 443 L CA -0.683 54.205 54.840 0.080 0.000 0.807 443 L CB 1.058 43.196 42.059 0.132 0.000 1.192 443 L HN 0.848 nan 8.230 nan 0.000 0.425 444 D N 0.397 120.784 120.400 -0.022 0.000 2.213 444 D HA -0.074 4.565 4.640 -0.002 0.000 0.205 444 D C 0.942 177.120 176.300 -0.203 0.000 0.961 444 D CA 0.401 54.345 54.000 -0.093 0.000 0.853 444 D CB 0.195 40.952 40.800 -0.071 0.000 0.967 444 D HN 0.437 nan 8.370 nan 0.000 0.496 445 T N -0.148 114.188 114.554 -0.364 0.000 2.867 445 T HA 0.189 4.538 4.350 -0.002 0.000 0.282 445 T C -0.351 173.840 174.700 -0.850 0.000 1.000 445 T CA -0.945 60.731 62.100 -0.708 0.000 1.042 445 T CB 1.181 69.403 68.868 -1.078 0.000 0.973 445 T HN -0.030 nan 8.240 nan 0.000 0.465 446 N N 5.302 123.631 118.700 -0.618 0.000 2.918 446 N HA 0.103 4.842 4.740 -0.002 0.000 0.247 446 N C -0.067 175.216 175.510 -0.379 0.000 1.117 446 N CA -0.520 52.321 53.050 -0.350 0.000 1.005 446 N CB 0.056 38.437 38.487 -0.177 0.000 1.297 446 N HN 0.619 nan 8.380 nan 0.000 0.513 447 W N 1.686 122.956 121.300 -0.050 0.000 1.900 447 W HA 0.023 4.682 4.660 -0.002 0.000 0.357 447 W C 1.514 178.001 176.519 -0.054 0.000 1.390 447 W CA -0.100 57.202 57.345 -0.072 0.000 1.428 447 W CB 0.217 29.611 29.460 -0.110 0.000 1.295 447 W HN 0.520 nan 8.180 nan 0.000 0.666 448 R N -1.154 119.437 120.500 0.151 0.000 3.569 448 R HA -0.234 4.105 4.340 -0.002 0.000 0.372 448 R C 0.130 176.381 176.300 -0.081 0.000 0.548 448 R CA 1.730 57.852 56.100 0.037 0.000 1.528 448 R CB -1.680 28.662 30.300 0.070 0.000 1.868 448 R HN 0.320 nan 8.270 nan 0.000 0.376 449 S N -1.349 114.288 115.700 -0.105 0.000 2.632 449 S HA 0.848 5.316 4.470 -0.002 0.000 0.289 449 S C -0.842 173.650 174.600 -0.180 0.000 1.115 449 S CA -0.258 57.841 58.200 -0.169 0.000 0.889 449 S CB 1.651 64.776 63.200 -0.124 0.000 1.116 449 S HN 0.562 nan 8.310 nan 0.000 0.486 450 A N 2.978 125.672 122.820 -0.210 0.000 2.445 450 A HA 0.454 4.773 4.320 -0.002 0.000 0.242 450 A C -1.351 176.190 177.584 -0.072 0.000 1.075 450 A CA -0.952 50.997 52.037 -0.146 0.000 0.777 450 A CB -0.271 18.664 19.000 -0.108 0.000 1.013 450 A HN 0.734 nan 8.150 nan 0.000 0.493 451 P HA -0.136 nan 4.420 nan 0.000 0.218 451 P C 1.451 178.753 177.300 0.004 0.000 1.149 451 P CA 1.940 65.026 63.100 -0.023 0.000 0.817 451 P CB -0.004 31.687 31.700 -0.015 0.000 0.785 452 G N -0.327 108.488 108.800 0.026 0.000 2.394 452 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.215 452 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.215 452 G C 1.605 176.526 174.900 0.036 0.000 1.165 452 G CA 0.565 45.691 45.100 0.043 0.000 0.784 452 G HN 0.052 nan 8.290 nan 0.000 0.535 453 M N 0.576 120.190 119.600 0.023 0.000 2.065 453 M HA -0.044 4.435 4.480 -0.002 0.000 0.259 453 M C 2.801 179.108 176.300 0.012 0.000 1.069 453 M CA 0.930 56.234 55.300 0.006 0.000 1.110 453 M CB -1.015 31.571 32.600 -0.023 0.000 1.328 453 M HN 0.116 nan 8.290 nan 0.000 0.405 454 V N 0.618 120.533 119.914 0.001 0.000 2.407 454 V HA -0.295 3.824 4.120 -0.002 0.000 0.248 454 V C 1.952 178.077 176.094 0.052 0.000 1.055 454 V CA 1.792 64.103 62.300 0.018 0.000 1.049 454 V CB -0.995 30.818 31.823 -0.017 0.000 0.662 454 V HN 0.540 nan 8.190 nan 0.000 0.455 455 N N 0.477 119.200 118.700 0.039 0.000 2.106 455 N HA -0.160 4.579 4.740 -0.002 0.000 0.188 455 N C 2.004 177.554 175.510 0.068 0.000 1.029 455 N CA 1.528 54.609 53.050 0.052 0.000 0.848 455 N CB -0.176 38.333 38.487 0.037 0.000 1.007 455 N HN 0.587 nan 8.380 nan 0.000 0.423 456 S N 0.182 115.915 115.700 0.056 0.000 2.453 456 S HA -0.005 4.464 4.470 -0.002 0.000 0.231 456 S C 1.990 176.634 174.600 0.073 0.000 1.005 456 S CA 0.412 58.642 58.200 0.049 0.000 0.949 456 S CB -0.297 62.920 63.200 0.029 0.000 0.774 456 S HN 0.025 nan 8.310 nan 0.000 0.510 457 V N 2.902 122.882 119.914 0.111 0.000 2.346 457 V HA -0.134 3.985 4.120 -0.002 0.000 0.244 457 V C 2.450 178.699 176.094 0.259 0.000 1.037 457 V CA 1.955 64.375 62.300 0.199 0.000 1.029 457 V CB -1.031 30.906 31.823 0.190 0.000 0.663 457 V HN 0.590 nan 8.190 nan 0.000 0.454 458 N N -0.074 118.782 118.700 0.259 0.000 2.069 458 N HA -0.275 4.463 4.740 -0.002 0.000 0.191 458 N C 1.916 177.574 175.510 0.247 0.000 1.031 458 N CA 1.688 54.955 53.050 0.362 0.000 0.852 458 N CB -0.183 38.467 38.487 0.272 0.000 1.018 458 N HN 0.410 nan 8.380 nan 0.000 0.423 459 K N 1.126 121.610 120.400 0.140 0.000 2.001 459 K HA -0.202 4.117 4.320 -0.002 0.000 0.214 459 K C 2.136 178.751 176.600 0.025 0.000 1.050 459 K CA 1.194 57.528 56.287 0.077 0.000 0.934 459 K CB -0.352 32.173 32.500 0.041 0.000 0.718 459 K HN 0.018 nan 8.250 nan 0.000 0.443 460 L N 0.648 121.860 121.223 -0.017 0.000 1.997 460 L HA -0.182 4.157 4.340 -0.002 0.000 0.216 460 L C 1.839 178.532 176.870 -0.296 0.000 1.074 460 L CA 1.884 56.623 54.840 -0.168 0.000 0.763 460 L CB -0.629 41.299 42.059 -0.218 0.000 0.890 460 L HN 0.249 nan 8.230 nan 0.000 0.434 461 F N -1.377 118.379 119.950 -0.323 0.000 2.816 461 F HA 0.045 4.571 4.527 -0.002 0.000 0.302 461 F C 2.274 177.850 175.800 -0.373 0.000 1.178 461 F CA 0.627 58.261 58.000 -0.610 0.000 1.421 461 F CB -0.281 37.934 39.000 -1.308 0.000 1.114 461 F HN 0.039 nan 8.300 nan 0.000 0.573 462 S N -1.128 114.601 115.700 0.048 0.000 2.492 462 S HA -0.046 4.423 4.470 -0.002 0.000 0.218 462 S C 1.899 176.524 174.600 0.042 0.000 1.016 462 S CA -0.099 58.194 58.200 0.155 0.000 0.916 462 S CB 0.059 63.376 63.200 0.194 0.000 0.791 462 S HN 0.228 nan 8.310 nan 0.000 0.513 463 Q N 1.419 121.200 119.800 -0.032 0.000 1.759 463 Q HA -0.188 4.151 4.340 -0.002 0.000 0.363 463 Q C 1.569 177.546 176.000 -0.038 0.000 1.050 463 Q CA 2.115 57.886 55.803 -0.054 0.000 0.878 463 Q CB -1.696 26.975 28.738 -0.111 0.000 0.983 463 Q HN 0.641 nan 8.270 nan 0.000 0.411 464 T N -0.474 114.042 114.554 -0.063 0.000 2.732 464 T HA 0.206 4.555 4.350 -0.002 0.000 0.287 464 T C -0.326 174.363 174.700 -0.018 0.000 0.993 464 T CA -0.571 61.502 62.100 -0.046 0.000 0.966 464 T CB 0.571 69.396 68.868 -0.072 0.000 1.047 464 T HN 0.099 nan 8.240 nan 0.000 0.527 465 D N 0.122 120.520 120.400 -0.004 0.000 2.340 465 D HA 0.414 5.052 4.640 -0.002 0.000 0.251 465 D C -0.757 175.554 176.300 0.018 0.000 1.080 465 D CA -0.227 53.788 54.000 0.024 0.000 0.971 465 D CB 0.334 41.152 40.800 0.030 0.000 1.137 465 D HN 0.676 nan 8.370 nan 0.000 0.475 466 D N 0.199 120.631 120.400 0.054 0.000 3.003 466 D HA -0.168 4.471 4.640 -0.002 0.000 0.223 466 D C 0.511 176.798 176.300 -0.021 0.000 1.204 466 D CA 0.657 54.694 54.000 0.062 0.000 0.828 466 D CB -0.856 39.986 40.800 0.071 0.000 0.918 466 D HN 0.433 nan 8.370 nan 0.000 0.401 467 A N 0.183 122.949 122.820 -0.089 0.000 1.898 467 A HA -0.046 4.273 4.320 -0.002 0.000 0.216 467 A C 1.533 178.878 177.584 -0.398 0.000 1.181 467 A CA 0.766 52.619 52.037 -0.307 0.000 0.620 467 A CB -0.278 18.442 19.000 -0.467 0.000 0.819 467 A HN 0.426 nan 8.150 nan 0.000 0.442 468 F N 0.607 120.554 119.950 -0.004 0.000 2.769 468 F HA 0.161 4.687 4.527 -0.002 0.000 0.304 468 F C 1.163 176.843 175.800 -0.200 0.000 1.158 468 F CA 0.537 58.487 58.000 -0.084 0.000 1.398 468 F CB -0.761 38.193 39.000 -0.077 0.000 1.094 468 F HN 0.339 nan 8.300 nan 0.000 0.553 469 M N -0.718 118.851 119.600 -0.051 0.000 2.217 469 M HA -0.302 4.176 4.480 -0.002 0.000 0.187 469 M C -1.363 174.878 176.300 -0.099 0.000 0.642 469 M CA 1.456 56.698 55.300 -0.097 0.000 0.450 469 M CB -2.396 30.093 32.600 -0.185 0.000 1.039 469 M HN 0.269 nan 8.290 nan 0.000 0.916 470 F N 0.148 120.126 119.950 0.046 0.000 3.588 470 F HA 0.269 4.795 4.527 -0.002 0.000 0.396 470 F C 1.222 177.031 175.800 0.015 0.000 1.213 470 F CA -1.252 56.745 58.000 -0.006 0.000 1.387 470 F CB 0.719 39.658 39.000 -0.101 0.000 2.059 470 F HN 0.363 nan 8.300 nan 0.000 0.754 471 R N -0.045 120.593 120.500 0.229 0.000 2.208 471 R HA -0.277 4.062 4.340 -0.002 0.000 0.262 471 R C 0.737 177.111 176.300 0.123 0.000 1.166 471 R CA 2.376 58.565 56.100 0.150 0.000 0.987 471 R CB -0.520 29.852 30.300 0.120 0.000 0.887 471 R HN 0.441 nan 8.270 nan 0.000 0.459 472 E N 0.889 121.145 120.200 0.093 0.000 2.409 472 E HA 0.029 4.377 4.350 -0.002 0.000 0.198 472 E C 0.467 177.101 176.600 0.056 0.000 1.024 472 E CA 0.744 57.169 56.400 0.042 0.000 0.861 472 E CB 0.124 29.790 29.700 -0.058 0.000 0.788 472 E HN 0.499 nan 8.360 nan 0.000 0.521 473 I N 2.454 123.088 120.570 0.107 0.000 2.692 473 I HA 0.218 4.387 4.170 -0.002 0.000 0.285 473 I C -2.326 173.895 176.117 0.173 0.000 1.191 473 I CA -2.090 59.259 61.300 0.081 0.000 1.128 473 I CB 0.482 38.507 38.000 0.043 0.000 1.585 473 I HN -0.157 nan 8.210 nan 0.000 0.558 474 P HA 0.082 nan 4.420 nan 0.000 0.278 474 P C -0.901 176.515 177.300 0.193 0.000 1.238 474 P CA -0.147 63.047 63.100 0.157 0.000 0.794 474 P CB 1.171 32.919 31.700 0.081 0.000 0.955 475 F N 5.260 125.284 119.950 0.124 0.000 2.332 475 F HA 0.437 4.963 4.527 -0.002 0.000 0.368 475 F C -0.034 175.788 175.800 0.037 0.000 1.110 475 F CA -1.396 56.667 58.000 0.106 0.000 1.087 475 F CB 0.146 39.230 39.000 0.141 0.000 1.235 475 F HN 0.174 nan 8.300 nan 0.000 0.470 476 I N 6.350 126.379 120.570 -0.901 0.000 2.339 476 I HA 0.614 4.783 4.170 -0.002 0.000 0.290 476 I C -2.665 172.906 176.117 -0.910 0.000 0.994 476 I CA -2.299 58.577 61.300 -0.706 0.000 1.191 476 I CB 1.161 38.971 38.000 -0.317 0.000 1.343 476 I HN 0.337 nan 8.210 nan 0.000 0.458 477 P HA 0.068 nan 4.420 nan 0.000 0.271 477 P C -0.632 176.563 177.300 -0.174 0.000 1.233 477 P CA -0.151 62.783 63.100 -0.277 0.000 0.795 477 P CB 0.581 32.232 31.700 -0.081 0.000 0.936 478 V N -2.860 117.017 119.914 -0.062 0.000 3.078 478 V HA 0.625 4.744 4.120 -0.002 0.000 0.311 478 V C -0.725 175.318 176.094 -0.085 0.000 1.138 478 V CA -1.206 61.042 62.300 -0.085 0.000 1.007 478 V CB 2.114 33.895 31.823 -0.070 0.000 1.045 478 V HN 0.531 nan 8.190 nan 0.000 0.432 479 K N 1.489 121.807 120.400 -0.136 0.000 2.098 479 K HA 0.713 5.032 4.320 -0.002 0.000 0.261 479 K C -0.140 176.338 176.600 -0.203 0.000 0.987 479 K CA -0.234 55.968 56.287 -0.143 0.000 0.916 479 K CB 1.465 33.879 32.500 -0.144 0.000 1.039 479 K HN 0.832 nan 8.250 nan 0.000 0.455 480 S N 0.531 116.132 115.700 -0.165 0.000 2.585 480 S HA 0.498 4.967 4.470 -0.002 0.000 0.277 480 S C 0.051 174.511 174.600 -0.233 0.000 1.241 480 S CA -1.117 56.968 58.200 -0.192 0.000 1.041 480 S CB 1.425 64.555 63.200 -0.116 0.000 0.987 480 S HN 0.779 nan 8.310 nan 0.000 0.512 481 A N 1.561 124.204 122.820 -0.294 0.000 2.366 481 A HA 0.605 4.923 4.320 -0.002 0.000 0.249 481 A C 1.416 178.945 177.584 -0.092 0.000 1.084 481 A CA -0.193 51.695 52.037 -0.249 0.000 0.794 481 A CB -0.478 18.364 19.000 -0.262 0.000 1.034 481 A HN 1.039 nan 8.150 nan 0.000 0.491 482 G N 0.534 109.315 108.800 -0.032 0.000 2.394 482 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.214 482 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.214 482 G C 1.368 176.275 174.900 0.012 0.000 1.176 482 G CA 0.977 46.074 45.100 -0.006 0.000 0.786 482 G HN 0.950 nan 8.290 nan 0.000 0.533 483 K N 0.283 120.709 120.400 0.043 0.000 2.366 483 K HA -0.095 4.223 4.320 -0.002 0.000 0.202 483 K C 1.197 177.808 176.600 0.018 0.000 1.045 483 K CA 1.766 58.079 56.287 0.043 0.000 0.934 483 K CB -0.365 32.178 32.500 0.072 0.000 0.746 483 K HN 0.420 nan 8.250 nan 0.000 0.470 484 N N -0.138 118.558 118.700 -0.007 0.000 2.204 484 N HA 0.059 4.798 4.740 -0.002 0.000 0.219 484 N C 0.585 176.070 175.510 -0.040 0.000 1.151 484 N CA -0.373 52.649 53.050 -0.047 0.000 0.867 484 N CB 0.510 38.941 38.487 -0.092 0.000 1.043 484 N HN 0.141 nan 8.380 nan 0.000 0.516 485 Q N 0.612 120.403 119.800 -0.015 0.000 2.291 485 Q HA 0.024 4.362 4.340 -0.002 0.000 0.205 485 Q C 1.750 177.762 176.000 0.021 0.000 0.970 485 Q CA 0.654 56.455 55.803 -0.004 0.000 0.876 485 Q CB -0.018 28.720 28.738 -0.000 0.000 0.935 485 Q HN 0.412 nan 8.270 nan 0.000 0.455 486 A N 0.141 122.982 122.820 0.035 0.000 2.208 486 A HA 0.122 4.441 4.320 -0.002 0.000 0.209 486 A C 0.968 178.628 177.584 0.126 0.000 1.161 486 A CA -0.129 51.951 52.037 0.071 0.000 0.782 486 A CB -0.156 18.887 19.000 0.071 0.000 0.816 486 A HN 0.223 nan 8.150 nan 0.000 0.477 487 L N 1.072 122.359 121.223 0.108 0.000 2.485 487 L HA 0.285 4.624 4.340 -0.002 0.000 0.275 487 L C 0.652 177.721 176.870 0.332 0.000 1.207 487 L CA 0.233 55.211 54.840 0.230 0.000 0.855 487 L CB 0.168 42.113 42.059 -0.189 0.000 1.114 487 L HN 0.606 nan 8.230 nan 0.000 0.485 488 R N 2.765 123.602 120.500 0.561 0.000 2.687 488 R HA 0.421 4.759 4.340 -0.002 0.000 0.265 488 R C -1.908 174.638 176.300 0.409 0.000 1.048 488 R CA -0.913 55.433 56.100 0.411 0.000 0.884 488 R CB 1.099 31.533 30.300 0.223 0.000 1.258 488 R HN 0.303 nan 8.270 nan 0.000 0.469 489 F N 3.092 123.120 119.950 0.130 0.000 2.449 489 F HA 0.568 5.093 4.527 -0.002 0.000 0.342 489 F C -0.780 174.998 175.800 -0.037 0.000 1.127 489 F CA -0.849 57.121 58.000 -0.050 0.000 0.975 489 F CB 1.780 40.740 39.000 -0.067 0.000 1.146 489 F HN 0.501 nan 8.300 nan 0.000 0.444 490 V N 4.347 124.005 119.914 -0.427 0.000 2.667 490 V HA 0.733 4.852 4.120 -0.002 0.000 0.308 490 V C -1.742 174.008 176.094 -0.572 0.000 1.048 490 V CA -0.844 61.188 62.300 -0.447 0.000 0.928 490 V CB 1.727 33.441 31.823 -0.180 0.000 1.004 490 V HN 0.793 nan 8.190 nan 0.000 0.444 491 F N 2.799 122.405 119.950 -0.574 0.000 2.574 491 F HA 0.562 5.088 4.527 -0.002 0.000 0.313 491 F C 0.541 176.234 175.800 -0.178 0.000 1.130 491 F CA -1.169 56.590 58.000 -0.401 0.000 0.936 491 F CB 1.931 40.675 39.000 -0.428 0.000 1.219 491 F HN 0.814 nan 8.300 nan 0.000 0.445 492 K N 3.841 123.797 120.400 -0.740 0.000 3.034 492 K HA -0.211 4.107 4.320 -0.002 0.000 0.255 492 K C 0.570 176.994 176.600 -0.293 0.000 0.903 492 K CA 1.225 57.161 56.287 -0.585 0.000 0.667 492 K CB -1.287 30.723 32.500 -0.817 0.000 1.335 492 K HN 1.212 nan 8.250 nan 0.000 0.479 493 G N -0.418 108.262 108.800 -0.200 0.000 1.838 493 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.067 493 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.067 493 G C -0.948 173.895 174.900 -0.095 0.000 1.666 493 G CA -0.060 44.966 45.100 -0.123 0.000 1.135 493 G HN 0.280 nan 8.290 nan 0.000 0.333 494 E N 1.602 121.755 120.200 -0.078 0.000 2.303 494 E HA 0.546 4.895 4.350 -0.002 0.000 0.254 494 E C 0.096 176.648 176.600 -0.080 0.000 0.979 494 E CA 0.218 56.580 56.400 -0.062 0.000 0.843 494 E CB 0.281 29.959 29.700 -0.036 0.000 1.245 494 E HN 0.877 nan 8.360 nan 0.000 0.413 495 T N -0.228 114.294 114.554 -0.053 0.000 2.871 495 T HA 0.032 4.380 4.350 -0.002 0.000 0.296 495 T C 0.439 175.120 174.700 -0.033 0.000 0.998 495 T CA -0.349 61.725 62.100 -0.044 0.000 1.162 495 T CB 0.375 69.254 68.868 0.019 0.000 0.947 495 T HN 0.353 nan 8.240 nan 0.000 0.536 496 Q N 3.212 122.968 119.800 -0.073 0.000 2.260 496 Q HA 0.334 4.673 4.340 -0.002 0.000 0.242 496 Q C -2.063 174.032 176.000 0.159 0.000 0.932 496 Q CA -1.991 53.818 55.803 0.011 0.000 0.891 496 Q CB 1.412 30.087 28.738 -0.105 0.000 1.222 496 Q HN 0.608 nan 8.270 nan 0.000 0.453 497 P HA 0.079 nan 4.420 nan 0.000 0.274 497 P C -0.500 176.994 177.300 0.324 0.000 1.231 497 P CA 0.094 63.313 63.100 0.199 0.000 0.790 497 P CB 0.815 32.593 31.700 0.130 0.000 0.951 498 A N 2.923 125.872 122.820 0.216 0.000 2.125 498 A HA -0.037 4.282 4.320 -0.002 0.000 0.219 498 A C 1.249 178.837 177.584 0.007 0.000 1.156 498 A CA 1.125 53.263 52.037 0.168 0.000 0.671 498 A CB -0.609 18.449 19.000 0.095 0.000 0.794 498 A HN 0.675 nan 8.150 nan 0.000 0.459 499 M N -0.465 119.144 119.600 0.014 0.000 2.206 499 M HA 0.348 4.827 4.480 -0.002 0.000 0.272 499 M C -1.663 174.625 176.300 -0.019 0.000 1.012 499 M CA -0.371 54.866 55.300 -0.105 0.000 0.986 499 M CB 1.510 34.075 32.600 -0.059 0.000 1.740 499 M HN 0.047 nan 8.290 nan 0.000 0.472 500 K N 5.309 125.694 120.400 -0.024 0.000 2.376 500 K HA 0.544 4.863 4.320 -0.002 0.000 0.257 500 K C -1.627 174.946 176.600 -0.046 0.000 0.939 500 K CA -0.541 55.750 56.287 0.006 0.000 0.809 500 K CB 1.947 34.510 32.500 0.105 0.000 1.121 500 K HN 0.848 nan 8.250 nan 0.000 0.425 501 M N 3.893 123.468 119.600 -0.041 0.000 2.108 501 M HA 0.251 4.730 4.480 -0.002 0.000 0.354 501 M C -1.346 174.949 176.300 -0.008 0.000 1.229 501 M CA -0.384 54.943 55.300 0.045 0.000 1.081 501 M CB 0.606 33.259 32.600 0.089 0.000 1.606 501 M HN 0.435 nan 8.290 nan 0.000 0.467 502 W N 5.452 126.839 121.300 0.145 0.000 2.390 502 W HA 0.538 5.197 4.660 -0.002 0.000 0.312 502 W C -1.011 175.653 176.519 0.243 0.000 1.123 502 W CA -0.495 56.975 57.345 0.209 0.000 1.202 502 W CB 0.796 30.395 29.460 0.233 0.000 1.251 502 W HN 0.390 nan 8.180 nan 0.000 0.511 503 L N 5.078 126.543 121.223 0.404 0.000 2.377 503 L HA 0.482 4.820 4.340 -0.002 0.000 0.270 503 L C -0.205 176.832 176.870 0.279 0.000 0.991 503 L CA -0.655 54.371 54.840 0.311 0.000 0.851 503 L CB 0.785 42.980 42.059 0.226 0.000 1.218 503 L HN 0.427 nan 8.230 nan 0.000 0.420 504 M N 2.573 122.328 119.600 0.259 0.000 2.243 504 M HA 0.064 4.543 4.480 -0.002 0.000 0.309 504 M C 0.329 176.721 176.300 0.153 0.000 1.050 504 M CA 0.920 56.347 55.300 0.212 0.000 1.139 504 M CB 0.446 33.176 32.600 0.216 0.000 1.457 504 M HN 0.660 nan 8.290 nan 0.000 0.440 505 E N 0.056 120.334 120.200 0.131 0.000 2.302 505 E HA 0.698 5.047 4.350 -0.002 0.000 0.255 505 E C 0.037 176.680 176.600 0.071 0.000 1.099 505 E CA -0.233 56.226 56.400 0.097 0.000 0.929 505 E CB 1.233 30.990 29.700 0.095 0.000 1.203 505 E HN 0.848 nan 8.360 nan 0.000 0.459 506 G N 0.194 109.024 108.800 0.051 0.000 2.631 506 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.504 506 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.504 506 G C 0.000 174.914 174.900 0.023 0.000 1.306 506 G CA -0.129 44.993 45.100 0.037 0.000 0.897 506 G HN 0.580 nan 8.290 nan 0.000 0.520 507 E N -0.820 119.390 120.200 0.017 0.000 2.228 507 E HA 0.234 4.583 4.350 -0.002 0.000 0.197 507 E C 1.764 178.368 176.600 0.007 0.000 0.909 507 E CA 0.572 56.975 56.400 0.006 0.000 0.911 507 E CB 0.504 30.205 29.700 0.002 0.000 0.887 507 E HN 0.451 nan 8.360 nan 0.000 0.481 508 S N -0.768 114.941 115.700 0.014 0.000 2.566 508 S HA 0.482 4.951 4.470 -0.002 0.000 0.277 508 S C -0.715 173.900 174.600 0.024 0.000 1.150 508 S CA -0.440 57.770 58.200 0.017 0.000 1.032 508 S CB 1.508 64.718 63.200 0.017 0.000 1.157 508 S HN 0.326 nan 8.310 nan 0.000 0.507 509 C N 0.647 119.963 119.300 0.027 0.000 3.177 509 C HA 0.457 4.916 4.460 -0.002 0.000 0.422 509 C C -0.052 174.956 174.990 0.031 0.000 0.930 509 C CA -0.252 58.789 59.018 0.038 0.000 1.264 509 C CB -0.821 26.944 27.740 0.042 0.000 1.696 509 C HN 1.137 nan 8.230 nan 0.000 0.586 510 G N 3.317 112.136 108.800 0.032 0.000 2.477 510 G HA2 0.500 4.459 3.960 -0.002 0.000 0.304 510 G HA3 0.500 4.459 3.960 -0.002 0.000 0.304 510 G C 0.852 175.767 174.900 0.025 0.000 1.175 510 G CA 0.184 45.291 45.100 0.012 0.000 0.907 510 G HN 1.110 nan 8.290 nan 0.000 0.509 511 V N 1.744 121.648 119.914 -0.017 0.000 2.392 511 V HA -0.145 3.974 4.120 -0.002 0.000 0.249 511 V C 3.003 179.083 176.094 -0.024 0.000 1.059 511 V CA 2.496 64.790 62.300 -0.011 0.000 1.051 511 V CB -1.016 30.750 31.823 -0.095 0.000 0.658 511 V HN 0.841 nan 8.190 nan 0.000 0.455 512 G N -0.410 108.362 108.800 -0.046 0.000 2.421 512 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.216 512 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.216 512 G C 1.187 176.052 174.900 -0.059 0.000 1.171 512 G CA 1.098 46.155 45.100 -0.072 0.000 0.775 512 G HN 0.500 nan 8.290 nan 0.000 0.543 513 D N -0.487 119.909 120.400 -0.007 0.000 2.081 513 D HA -0.107 4.531 4.640 -0.002 0.000 0.194 513 D C 1.131 177.453 176.300 0.037 0.000 0.986 513 D CA 0.464 54.473 54.000 0.016 0.000 0.837 513 D CB -0.580 40.249 40.800 0.048 0.000 0.985 513 D HN 0.315 nan 8.370 nan 0.000 0.448 514 Y N 1.640 121.924 120.300 -0.027 0.000 2.601 514 Y HA -0.061 4.488 4.550 -0.002 0.000 0.349 514 Y C 0.882 176.741 175.900 -0.068 0.000 1.274 514 Y CA 0.674 58.777 58.100 0.004 0.000 1.863 514 Y CB -0.617 37.859 38.460 0.028 0.000 1.629 514 Y HN 0.054 nan 8.280 nan 0.000 0.439 515 Q N 0.822 120.430 119.800 -0.320 0.000 6.070 515 Q HA -0.154 4.185 4.340 -0.002 0.000 0.312 515 Q C 1.753 177.624 176.000 -0.215 0.000 0.804 515 Q CA 0.545 56.049 55.803 -0.499 0.000 0.725 515 Q CB -0.516 27.863 28.738 -0.597 0.000 0.651 515 Q HN 0.467 nan 8.270 nan 0.000 0.691 516 S N 1.075 116.675 115.700 -0.166 0.000 2.380 516 S HA -0.255 4.214 4.470 -0.002 0.000 0.229 516 S C 1.870 176.427 174.600 -0.071 0.000 1.050 516 S CA 2.705 60.845 58.200 -0.100 0.000 1.100 516 S CB -0.574 62.582 63.200 -0.073 0.000 0.984 516 S HN 0.636 nan 8.310 nan 0.000 0.434 517 T N 1.020 115.546 114.554 -0.046 0.000 2.674 517 T HA -0.099 4.250 4.350 -0.002 0.000 0.265 517 T C 1.836 176.517 174.700 -0.033 0.000 1.039 517 T CA 1.423 63.513 62.100 -0.016 0.000 1.150 517 T CB -0.312 68.582 68.868 0.043 0.000 0.864 517 T HN 0.096 nan 8.240 nan 0.000 0.427 518 M N 1.286 120.861 119.600 -0.041 0.000 2.159 518 M HA 0.211 4.690 4.480 -0.002 0.000 0.263 518 M C 2.770 179.012 176.300 -0.096 0.000 1.063 518 M CA 1.409 56.686 55.300 -0.037 0.000 1.110 518 M CB -1.782 30.776 32.600 -0.070 0.000 1.374 518 M HN 0.540 nan 8.290 nan 0.000 0.411 519 A N -0.704 122.127 122.820 0.018 0.000 1.902 519 A HA -0.211 4.108 4.320 -0.002 0.000 0.217 519 A C 2.156 179.595 177.584 -0.242 0.000 1.181 519 A CA 1.587 53.579 52.037 -0.076 0.000 0.623 519 A CB -0.715 18.310 19.000 0.043 0.000 0.818 519 A HN 0.553 nan 8.150 nan 0.000 0.443 520 Q N -0.281 119.413 119.800 -0.177 0.000 1.935 520 Q HA -0.208 4.131 4.340 -0.002 0.000 0.212 520 Q C 2.159 177.987 176.000 -0.288 0.000 1.008 520 Q CA 2.698 58.389 55.803 -0.187 0.000 0.868 520 Q CB -0.496 28.172 28.738 -0.116 0.000 0.946 520 Q HN 0.422 nan 8.270 nan 0.000 0.418 521 V N 0.604 120.352 119.914 -0.277 0.000 2.277 521 V HA -0.403 3.716 4.120 -0.002 0.000 0.253 521 V C 2.545 178.211 176.094 -0.714 0.000 1.067 521 V CA 2.058 64.133 62.300 -0.375 0.000 1.047 521 V CB -0.975 30.704 31.823 -0.239 0.000 0.649 521 V HN 0.688 nan 8.190 nan 0.000 0.447 522 C N 0.187 118.891 119.300 -0.994 0.000 2.432 522 C HA -0.114 4.344 4.460 -0.002 0.000 0.277 522 C C 3.081 177.366 174.990 -1.174 0.000 1.249 522 C CA 0.992 58.954 59.018 -1.760 0.000 1.725 522 C CB -1.328 25.411 27.740 -1.669 0.000 2.028 522 C HN 0.610 nan 8.230 nan 0.000 0.477 523 A N 0.497 122.884 122.820 -0.722 0.000 1.902 523 A HA 0.106 4.425 4.320 -0.002 0.000 0.217 523 A C 2.500 179.802 177.584 -0.469 0.000 1.181 523 A CA 2.390 54.116 52.037 -0.518 0.000 0.623 523 A CB -1.232 17.560 19.000 -0.348 0.000 0.818 523 A HN 0.900 nan 8.150 nan 0.000 0.443 524 A N -0.938 121.621 122.820 -0.435 0.000 1.841 524 A HA -0.238 4.081 4.320 -0.002 0.000 0.216 524 A C 2.053 179.386 177.584 -0.418 0.000 1.199 524 A CA 1.811 53.644 52.037 -0.340 0.000 0.621 524 A CB -0.674 18.157 19.000 -0.281 0.000 0.835 524 A HN 0.468 nan 8.150 nan 0.000 0.445 525 Q N -0.847 118.593 119.800 -0.600 0.000 2.308 525 Q HA -0.163 4.176 4.340 -0.002 0.000 0.209 525 Q C 1.954 177.388 176.000 -0.945 0.000 0.985 525 Q CA 1.190 56.535 55.803 -0.762 0.000 0.881 525 Q CB -0.538 27.690 28.738 -0.850 0.000 0.917 525 Q HN 0.680 nan 8.270 nan 0.000 0.443 526 I N 0.612 120.747 120.570 -0.725 0.000 2.193 526 I HA -0.249 3.919 4.170 -0.002 0.000 0.240 526 I C 2.340 178.276 176.117 -0.302 0.000 1.084 526 I CA 1.268 62.282 61.300 -0.476 0.000 1.365 526 I CB -0.378 37.371 38.000 -0.419 0.000 1.064 526 I HN 0.181 nan 8.210 nan 0.000 0.410 527 R N 0.457 120.770 120.500 -0.311 0.000 2.092 527 R HA -0.100 4.239 4.340 -0.002 0.000 0.231 527 R C 1.602 177.873 176.300 -0.049 0.000 1.119 527 R CA 1.594 57.556 56.100 -0.229 0.000 0.970 527 R CB -1.536 28.676 30.300 -0.147 0.000 0.864 527 R HN 0.182 nan 8.270 nan 0.000 0.440 528 D N -0.115 120.247 120.400 -0.064 0.000 2.158 528 D HA -0.170 4.468 4.640 -0.002 0.000 0.197 528 D C 1.298 177.804 176.300 0.342 0.000 0.995 528 D CA 1.117 55.186 54.000 0.115 0.000 0.846 528 D CB -0.202 40.626 40.800 0.047 0.000 0.941 528 D HN 0.288 nan 8.370 nan 0.000 0.456 529 W N 0.797 122.131 121.300 0.057 0.000 2.413 529 W HA 0.111 4.769 4.660 -0.002 0.000 0.315 529 W C 2.416 179.012 176.519 0.128 0.000 1.186 529 W CA -0.044 57.358 57.345 0.096 0.000 1.326 529 W CB -1.301 28.139 29.460 -0.033 0.000 1.153 529 W HN 0.003 nan 8.180 nan 0.000 0.489 530 L N 0.547 121.902 121.223 0.221 0.000 2.051 530 L HA -0.307 4.032 4.340 -0.002 0.000 0.214 530 L C 2.583 179.593 176.870 0.234 0.000 1.076 530 L CA 2.325 57.176 54.840 0.017 0.000 0.758 530 L CB -0.880 40.829 42.059 -0.584 0.000 0.890 530 L HN 0.188 nan 8.230 nan 0.000 0.433 531 Q N -1.118 118.857 119.800 0.292 0.000 2.354 531 Q HA 0.015 4.354 4.340 -0.002 0.000 0.203 531 Q C 2.007 178.171 176.000 0.274 0.000 0.933 531 Q CA 0.862 56.900 55.803 0.392 0.000 0.901 531 Q CB -0.096 28.860 28.738 0.362 0.000 1.007 531 Q HN 0.366 nan 8.270 nan 0.000 0.495 532 A N 1.380 124.374 122.820 0.291 0.000 2.119 532 A HA 0.125 4.444 4.320 -0.002 0.000 0.217 532 A C 2.149 179.852 177.584 0.198 0.000 1.153 532 A CA 0.984 53.150 52.037 0.216 0.000 0.692 532 A CB -0.598 18.577 19.000 0.293 0.000 0.799 532 A HN 0.533 nan 8.150 nan 0.000 0.458 533 G N -0.515 108.436 108.800 0.252 0.000 2.494 533 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.216 533 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.216 533 G C 1.477 176.476 174.900 0.166 0.000 1.140 533 G CA 0.662 45.880 45.100 0.198 0.000 0.801 533 G HN 0.656 nan 8.290 nan 0.000 0.536 534 Q N 0.088 120.009 119.800 0.201 0.000 2.172 534 Q HA 0.039 4.378 4.340 -0.002 0.000 0.200 534 Q C 2.263 178.320 176.000 0.094 0.000 0.964 534 Q CA 0.629 56.525 55.803 0.154 0.000 0.855 534 Q CB -0.061 28.773 28.738 0.161 0.000 0.918 534 Q HN 0.325 nan 8.270 nan 0.000 0.444 535 R N -0.239 120.315 120.500 0.089 0.000 2.310 535 R HA 0.081 4.420 4.340 -0.002 0.000 0.202 535 R C 1.012 177.330 176.300 0.031 0.000 0.933 535 R CA 0.556 56.686 56.100 0.049 0.000 1.054 535 R CB 0.365 30.689 30.300 0.040 0.000 0.985 535 R HN 0.437 nan 8.270 nan 0.000 0.489 536 G N 1.113 109.939 108.800 0.044 0.000 2.176 536 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.253 536 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.253 536 G C 0.421 175.322 174.900 0.002 0.000 0.979 536 G CA 0.329 45.443 45.100 0.023 0.000 0.641 536 G HN 0.481 nan 8.290 nan 0.000 0.530 537 E N 0.212 120.407 120.200 -0.008 0.000 2.437 537 E HA 0.533 4.882 4.350 -0.002 0.000 0.189 537 E C 0.805 177.378 176.600 -0.044 0.000 1.054 537 E CA 0.499 56.856 56.400 -0.070 0.000 0.874 537 E CB 0.630 30.238 29.700 -0.153 0.000 1.011 537 E HN 0.816 nan 8.360 nan 0.000 0.474 538 A N 1.697 124.566 122.820 0.082 0.000 2.410 538 A HA 0.559 4.878 4.320 -0.002 0.000 0.289 538 A C -0.901 176.744 177.584 0.103 0.000 1.200 538 A CA -0.601 51.555 52.037 0.197 0.000 0.751 538 A CB 0.358 19.611 19.000 0.422 0.000 1.161 538 A HN 0.140 nan 8.150 nan 0.000 0.459 539 L N 2.422 123.658 121.223 0.022 0.000 2.362 539 L HA 0.569 4.908 4.340 -0.002 0.000 0.271 539 L C -0.654 176.173 176.870 -0.072 0.000 1.002 539 L CA -0.579 54.246 54.840 -0.026 0.000 0.818 539 L CB 2.109 44.139 42.059 -0.049 0.000 1.298 539 L HN 0.544 nan 8.230 nan 0.000 0.420 540 L N 3.807 124.852 121.223 -0.297 0.000 2.265 540 L HA 0.569 4.908 4.340 -0.002 0.000 0.289 540 L C -0.443 176.090 176.870 -0.563 0.000 1.033 540 L CA -0.068 54.262 54.840 -0.850 0.000 0.814 540 L CB 1.142 42.510 42.059 -1.151 0.000 1.203 540 L HN 0.578 nan 8.230 nan 0.000 0.423 541 M N 3.588 122.951 119.600 -0.394 0.000 2.464 541 M HA 0.373 4.852 4.480 -0.002 0.000 0.308 541 M C -0.725 175.800 176.300 0.374 0.000 1.127 541 M CA -0.603 54.712 55.300 0.025 0.000 0.913 541 M CB 2.385 35.015 32.600 0.051 0.000 1.689 541 M HN 0.328 nan 8.290 nan 0.000 0.445 542 N N 1.477 120.357 118.700 0.299 0.000 2.626 542 N HA 0.459 5.197 4.740 -0.002 0.000 0.249 542 N C 0.200 175.804 175.510 0.157 0.000 1.021 542 N CA 1.011 54.229 53.050 0.280 0.000 0.886 542 N CB 0.900 39.534 38.487 0.245 0.000 1.149 542 N HN 0.948 nan 8.380 nan 0.000 0.517 543 G N 3.573 112.454 108.800 0.136 0.000 2.574 543 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.301 543 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.301 543 G C -0.002 174.943 174.900 0.075 0.000 1.166 543 G CA 0.459 45.612 45.100 0.089 0.000 0.971 543 G HN 0.547 nan 8.290 nan 0.000 0.542 544 D N 2.821 123.257 120.400 0.060 0.000 2.615 544 D HA 0.447 5.086 4.640 -0.002 0.000 0.236 544 D C -0.406 175.921 176.300 0.045 0.000 1.233 544 D CA 0.183 54.210 54.000 0.045 0.000 0.829 544 D CB 0.019 40.840 40.800 0.034 0.000 1.024 544 D HN 0.447 nan 8.370 nan 0.000 0.490 545 D N 0.122 120.558 120.400 0.059 0.000 2.457 545 D HA 0.745 5.383 4.640 -0.002 0.000 0.240 545 D C -0.558 175.770 176.300 0.047 0.000 1.041 545 D CA -0.757 53.276 54.000 0.055 0.000 0.861 545 D CB 2.147 42.990 40.800 0.072 0.000 1.394 545 D HN -0.024 nan 8.370 nan 0.000 0.473 546 A N 1.507 124.342 122.820 0.025 0.000 2.574 546 A HA 0.818 5.136 4.320 -0.002 0.000 0.297 546 A C -1.232 176.346 177.584 -0.010 0.000 1.062 546 A CA -1.022 51.012 52.037 -0.005 0.000 0.686 546 A CB 1.599 20.593 19.000 -0.010 0.000 1.285 546 A HN 0.639 nan 8.150 nan 0.000 0.403 547 R N 1.671 122.147 120.500 -0.041 0.000 2.651 547 R HA 0.737 5.076 4.340 -0.002 0.000 0.278 547 R C -3.199 173.075 176.300 -0.042 0.000 1.010 547 R CA -1.661 54.424 56.100 -0.025 0.000 0.896 547 R CB 2.493 32.785 30.300 -0.013 0.000 1.211 547 R HN 0.461 nan 8.270 nan 0.000 0.456 548 P HA 0.000 nan 4.420 nan 0.000 0.274 548 P C 0.101 177.406 177.300 0.009 0.000 1.237 548 P CA -0.468 62.643 63.100 0.019 0.000 0.793 548 P CB 1.151 32.882 31.700 0.052 0.000 0.977 549 V N 1.374 121.303 119.914 0.026 0.000 2.488 549 V HA 0.339 4.458 4.120 -0.002 0.000 0.277 549 V C 0.337 176.468 176.094 0.063 0.000 1.046 549 V CA -0.402 61.893 62.300 -0.008 0.000 0.986 549 V CB -0.002 31.791 31.823 -0.050 0.000 0.989 549 V HN 0.399 nan 8.190 nan 0.000 0.475 550 R N 3.930 124.466 120.500 0.059 0.000 2.705 550 R HA 0.696 5.035 4.340 -0.002 0.000 0.246 550 R C 1.407 177.761 176.300 0.090 0.000 1.142 550 R CA -0.314 55.856 56.100 0.116 0.000 1.114 550 R CB 1.314 31.687 30.300 0.120 0.000 1.256 550 R HN 0.804 nan 8.270 nan 0.000 0.536 551 A N 0.561 123.453 122.820 0.120 0.000 2.015 551 A HA -0.135 4.184 4.320 -0.002 0.000 0.219 551 A C 1.858 179.488 177.584 0.076 0.000 1.163 551 A CA 1.714 53.795 52.037 0.074 0.000 0.646 551 A CB -0.510 18.554 19.000 0.105 0.000 0.806 551 A HN 0.741 nan 8.150 nan 0.000 0.448 552 S N -0.490 115.255 115.700 0.076 0.000 2.603 552 S HA -0.048 4.420 4.470 -0.002 0.000 0.229 552 S C 0.438 175.082 174.600 0.073 0.000 0.972 552 S CA 1.022 59.249 58.200 0.045 0.000 0.935 552 S CB -0.206 62.970 63.200 -0.040 0.000 0.769 552 S HN 0.511 nan 8.310 nan 0.000 0.536 553 D N 0.120 120.562 120.400 0.070 0.000 2.441 553 D HA 0.347 4.986 4.640 -0.002 0.000 0.210 553 D C -0.118 176.233 176.300 0.086 0.000 1.102 553 D CA -0.135 53.910 54.000 0.074 0.000 0.840 553 D CB 0.199 40.995 40.800 -0.008 0.000 0.990 553 D HN 0.365 nan 8.370 nan 0.000 0.505 554 I N 0.252 120.875 120.570 0.089 0.000 2.677 554 I HA 0.335 4.504 4.170 -0.002 0.000 0.305 554 I C 0.211 176.370 176.117 0.071 0.000 0.988 554 I CA -0.336 61.034 61.300 0.117 0.000 1.260 554 I CB 1.737 39.831 38.000 0.156 0.000 1.410 554 I HN -0.310 nan 8.210 nan 0.000 0.523 555 S N 2.805 118.511 115.700 0.010 0.000 2.543 555 S HA 0.669 5.138 4.470 -0.002 0.000 0.273 555 S C -1.581 172.945 174.600 -0.124 0.000 1.152 555 S CA -0.562 57.518 58.200 -0.201 0.000 0.910 555 S CB 1.097 63.872 63.200 -0.708 0.000 1.105 555 S HN 0.238 nan 8.310 nan 0.000 0.465 556 V N 5.774 125.613 119.914 -0.125 0.000 2.378 556 V HA 0.478 4.597 4.120 -0.002 0.000 0.288 556 V C -0.169 175.872 176.094 -0.089 0.000 1.016 556 V CA -0.734 61.522 62.300 -0.073 0.000 0.840 556 V CB 1.346 33.107 31.823 -0.103 0.000 0.994 556 V HN 0.773 nan 8.190 nan 0.000 0.431 557 L N 4.987 126.165 121.223 -0.075 0.000 2.371 557 L HA 0.653 4.991 4.340 -0.002 0.000 0.272 557 L C -0.210 176.654 176.870 -0.010 0.000 1.124 557 L CA -0.107 54.709 54.840 -0.040 0.000 0.816 557 L CB 1.666 43.706 42.059 -0.032 0.000 1.129 557 L HN 0.419 nan 8.230 nan 0.000 0.448 558 V N 3.763 123.714 119.914 0.063 0.000 3.087 558 V HA 0.380 4.499 4.120 -0.002 0.000 0.306 558 V C 0.487 176.679 176.094 0.164 0.000 1.187 558 V CA -0.588 61.775 62.300 0.106 0.000 0.999 558 V CB 2.885 34.777 31.823 0.115 0.000 1.049 558 V HN 0.731 nan 8.190 nan 0.000 0.431 559 R N 1.348 121.955 120.500 0.180 0.000 2.280 559 R HA 0.262 4.601 4.340 -0.002 0.000 0.195 559 R C 0.309 176.679 176.300 0.116 0.000 0.935 559 R CA 0.922 57.118 56.100 0.161 0.000 1.033 559 R CB 0.475 30.870 30.300 0.159 0.000 0.964 559 R HN 0.872 nan 8.270 nan 0.000 0.489 560 S N -2.307 113.460 115.700 0.111 0.000 2.587 560 S HA 0.258 4.727 4.470 -0.002 0.000 0.269 560 S C 0.320 174.930 174.600 0.017 0.000 1.154 560 S CA -0.906 57.331 58.200 0.061 0.000 0.824 560 S CB 2.019 65.224 63.200 0.007 0.000 1.118 560 S HN 0.012 nan 8.310 nan 0.000 0.462 561 R N 0.745 121.247 120.500 0.004 0.000 2.117 561 R HA -0.152 4.187 4.340 -0.002 0.000 0.243 561 R C 2.082 178.254 176.300 -0.213 0.000 1.143 561 R CA 2.512 58.538 56.100 -0.125 0.000 0.968 561 R CB -0.614 29.675 30.300 -0.018 0.000 0.863 561 R HN 0.785 nan 8.270 nan 0.000 0.444 562 Q N -0.209 119.517 119.800 -0.123 0.000 2.020 562 Q HA -0.139 4.200 4.340 -0.002 0.000 0.198 562 Q C 2.055 177.981 176.000 -0.124 0.000 0.974 562 Q CA 1.840 57.569 55.803 -0.125 0.000 0.829 562 Q CB -0.051 28.625 28.738 -0.104 0.000 0.894 562 Q HN 0.479 nan 8.270 nan 0.000 0.433 563 E N 0.796 120.954 120.200 -0.070 0.000 2.070 563 E HA -0.274 4.075 4.350 -0.002 0.000 0.197 563 E C 2.043 178.679 176.600 0.059 0.000 1.004 563 E CA 1.093 57.527 56.400 0.056 0.000 0.805 563 E CB -0.287 29.572 29.700 0.265 0.000 0.744 563 E HN 0.373 nan 8.360 nan 0.000 0.451 564 A N 1.641 124.387 122.820 -0.125 0.000 1.917 564 A HA -0.236 4.083 4.320 -0.002 0.000 0.219 564 A C 2.416 179.851 177.584 -0.249 0.000 1.182 564 A CA 2.153 54.013 52.037 -0.296 0.000 0.633 564 A CB -0.761 17.643 19.000 -0.993 0.000 0.819 564 A HN 0.328 nan 8.150 nan 0.000 0.448 565 A N -1.443 121.228 122.820 -0.248 0.000 1.845 565 A HA -0.204 4.115 4.320 -0.002 0.000 0.215 565 A C 2.084 179.605 177.584 -0.105 0.000 1.195 565 A CA 1.593 53.529 52.037 -0.168 0.000 0.616 565 A CB -0.696 18.214 19.000 -0.150 0.000 0.832 565 A HN 0.520 nan 8.150 nan 0.000 0.443 566 Q N -0.332 119.418 119.800 -0.083 0.000 2.242 566 Q HA -0.201 4.138 4.340 -0.002 0.000 0.211 566 Q C 2.227 178.215 176.000 -0.020 0.000 0.992 566 Q CA 2.066 57.836 55.803 -0.055 0.000 0.889 566 Q CB -0.517 28.178 28.738 -0.071 0.000 0.913 566 Q HN 0.566 nan 8.270 nan 0.000 0.422 567 V N -0.040 119.867 119.914 -0.010 0.000 2.273 567 V HA -0.196 3.923 4.120 -0.002 0.000 0.242 567 V C 2.370 178.402 176.094 -0.105 0.000 1.035 567 V CA 1.740 63.995 62.300 -0.074 0.000 1.013 567 V CB -0.672 31.088 31.823 -0.105 0.000 0.652 567 V HN 0.289 nan 8.190 nan 0.000 0.452 568 R N 0.329 120.774 120.500 -0.092 0.000 2.133 568 R HA -0.256 4.082 4.340 -0.002 0.000 0.247 568 R C 1.853 178.111 176.300 -0.069 0.000 1.151 568 R CA 2.425 58.480 56.100 -0.075 0.000 0.971 568 R CB -0.387 29.873 30.300 -0.066 0.000 0.866 568 R HN 0.579 nan 8.270 nan 0.000 0.447 569 D N -0.085 120.271 120.400 -0.073 0.000 2.075 569 D HA -0.082 4.557 4.640 -0.002 0.000 0.196 569 D C 1.776 178.031 176.300 -0.075 0.000 0.985 569 D CA 1.783 55.743 54.000 -0.065 0.000 0.834 569 D CB -0.483 40.278 40.800 -0.064 0.000 0.987 569 D HN 0.372 nan 8.370 nan 0.000 0.452 570 A N 0.213 122.976 122.820 -0.095 0.000 2.024 570 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 570 A C 1.995 179.498 177.584 -0.135 0.000 1.164 570 A CA 0.943 52.909 52.037 -0.117 0.000 0.643 570 A CB -0.461 18.451 19.000 -0.146 0.000 0.806 570 A HN 0.147 nan 8.150 nan 0.000 0.451 571 L N -1.248 119.892 121.223 -0.138 0.000 2.049 571 L HA -0.025 4.314 4.340 -0.002 0.000 0.203 571 L C 2.608 179.427 176.870 -0.085 0.000 1.074 571 L CA 2.401 57.155 54.840 -0.145 0.000 0.749 571 L CB -1.400 40.572 42.059 -0.146 0.000 0.907 571 L HN 0.338 nan 8.230 nan 0.000 0.439 572 T N -0.418 114.103 114.554 -0.055 0.000 2.778 572 T HA -0.206 4.142 4.350 -0.002 0.000 0.269 572 T C 1.933 176.626 174.700 -0.012 0.000 1.050 572 T CA 1.098 63.187 62.100 -0.018 0.000 1.137 572 T CB -0.254 68.604 68.868 -0.016 0.000 0.860 572 T HN 0.176 nan 8.240 nan 0.000 0.468 573 L N 0.256 121.459 121.223 -0.033 0.000 2.456 573 L HA 0.108 4.446 4.340 -0.002 0.000 0.224 573 L C 1.259 178.119 176.870 -0.017 0.000 1.148 573 L CA 0.970 55.793 54.840 -0.028 0.000 0.825 573 L CB -0.010 42.020 42.059 -0.048 0.000 0.937 573 L HN 0.327 nan 8.230 nan 0.000 0.450 574 L N -1.225 119.987 121.223 -0.018 0.000 2.857 574 L HA 0.150 4.488 4.340 -0.002 0.000 0.249 574 L C 0.607 177.530 176.870 0.089 0.000 1.172 574 L CA 0.008 54.852 54.840 0.008 0.000 0.980 574 L CB 0.218 42.245 42.059 -0.054 0.000 1.299 574 L HN 0.196 nan 8.230 nan 0.000 0.535 575 E N -0.412 119.841 120.200 0.088 0.000 3.916 575 E HA -0.234 4.115 4.350 -0.002 0.000 0.331 575 E C 0.332 177.102 176.600 0.283 0.000 0.729 575 E CA 0.670 57.170 56.400 0.166 0.000 1.222 575 E CB -1.292 28.530 29.700 0.203 0.000 1.633 575 E HN 0.456 nan 8.360 nan 0.000 0.437 576 I N 3.754 124.403 120.570 0.130 0.000 2.329 576 I HA 0.116 4.285 4.170 -0.002 0.000 0.295 576 I C -1.642 174.497 176.117 0.036 0.000 1.109 576 I CA -1.558 59.744 61.300 0.003 0.000 1.297 576 I CB 0.064 37.888 38.000 -0.293 0.000 1.433 576 I HN -0.180 nan 8.210 nan 0.000 0.509 577 P HA 0.039 nan 4.420 nan 0.000 0.266 577 P C -0.579 176.756 177.300 0.059 0.000 1.195 577 P CA 0.092 63.253 63.100 0.101 0.000 0.768 577 P CB 0.980 32.768 31.700 0.148 0.000 0.838 578 S N 1.263 116.990 115.700 0.045 0.000 2.651 578 S HA 0.675 5.143 4.470 -0.002 0.000 0.279 578 S C -0.964 173.672 174.600 0.061 0.000 1.148 578 S CA -0.871 57.351 58.200 0.037 0.000 0.837 578 S CB 1.777 64.979 63.200 0.003 0.000 1.138 578 S HN 0.435 nan 8.310 nan 0.000 0.478 579 V N 1.346 121.305 119.914 0.075 0.000 2.760 579 V HA 0.625 4.744 4.120 -0.002 0.000 0.309 579 V C -2.216 173.970 176.094 0.153 0.000 1.077 579 V CA -0.703 61.657 62.300 0.100 0.000 0.910 579 V CB 1.950 33.821 31.823 0.081 0.000 1.008 579 V HN 1.012 nan 8.190 nan 0.000 0.424 580 Y N 6.427 126.735 120.300 0.015 0.000 2.804 580 Y HA 0.454 5.003 4.550 -0.002 0.000 0.330 580 Y C 0.763 176.679 175.900 0.027 0.000 1.092 580 Y CA -0.606 57.503 58.100 0.014 0.000 1.315 580 Y CB 0.934 39.400 38.460 0.010 0.000 1.188 580 Y HN 0.717 nan 8.280 nan 0.000 0.512 581 L N 2.260 123.389 121.223 -0.156 0.000 2.261 581 L HA -0.203 4.136 4.340 -0.002 0.000 0.216 581 L C 1.528 178.211 176.870 -0.311 0.000 1.114 581 L CA 1.521 56.261 54.840 -0.166 0.000 0.777 581 L CB -0.065 41.961 42.059 -0.056 0.000 0.910 581 L HN 0.503 nan 8.230 nan 0.000 0.440 582 S N -0.732 114.544 115.700 -0.706 0.000 2.622 582 S HA 0.031 4.500 4.470 -0.002 0.000 0.236 582 S C 0.551 174.786 174.600 -0.609 0.000 0.956 582 S CA -0.334 57.498 58.200 -0.615 0.000 0.971 582 S CB -0.624 62.233 63.200 -0.572 0.000 0.782 582 S HN 0.360 nan 8.310 nan 0.000 0.468 583 N N 2.121 120.535 118.700 -0.476 0.000 2.468 583 N HA 0.055 4.793 4.740 -0.002 0.000 0.265 583 N C 0.638 176.157 175.510 0.014 0.000 1.199 583 N CA 0.211 53.247 53.050 -0.024 0.000 0.928 583 N CB 0.472 39.034 38.487 0.125 0.000 1.059 583 N HN 0.321 nan 8.380 nan 0.000 0.467 584 R N 1.573 122.117 120.500 0.074 0.000 2.307 584 R HA 0.095 4.434 4.340 -0.002 0.000 0.200 584 R C -0.286 176.048 176.300 0.057 0.000 0.893 584 R CA -0.398 55.734 56.100 0.053 0.000 1.042 584 R CB 0.266 30.597 30.300 0.051 0.000 1.059 584 R HN 0.600 nan 8.270 nan 0.000 0.530 585 D N 2.102 122.541 120.400 0.065 0.000 2.429 585 D HA -0.062 4.576 4.640 -0.002 0.000 0.233 585 D C 0.482 176.806 176.300 0.040 0.000 1.202 585 D CA 0.841 54.870 54.000 0.049 0.000 0.879 585 D CB 0.633 41.460 40.800 0.045 0.000 1.212 585 D HN 0.085 nan 8.370 nan 0.000 0.465 586 S N -0.790 114.931 115.700 0.034 0.000 2.638 586 S HA 0.289 4.758 4.470 -0.002 0.000 0.298 586 S C 0.820 175.379 174.600 -0.068 0.000 1.111 586 S CA -0.928 57.281 58.200 0.015 0.000 1.027 586 S CB 1.622 64.879 63.200 0.096 0.000 1.064 586 S HN 0.156 nan 8.310 nan 0.000 0.525 587 V N 1.503 121.272 119.914 -0.243 0.000 3.305 587 V HA 0.001 4.120 4.120 -0.002 0.000 0.269 587 V C 1.124 176.969 176.094 -0.414 0.000 1.157 587 V CA 1.304 63.376 62.300 -0.380 0.000 1.157 587 V CB -1.430 29.987 31.823 -0.677 0.000 0.772 587 V HN 0.863 nan 8.190 nan 0.000 0.498 588 F N 0.696 120.581 119.950 -0.109 0.000 2.811 588 F HA 0.087 4.613 4.527 -0.002 0.000 0.301 588 F C 1.586 177.334 175.800 -0.087 0.000 1.151 588 F CA 0.367 58.304 58.000 -0.104 0.000 1.412 588 F CB 0.442 39.383 39.000 -0.098 0.000 1.113 588 F HN 0.268 nan 8.300 nan 0.000 0.579 589 E N 0.417 120.659 120.200 0.070 0.000 3.846 589 E HA 0.078 4.427 4.350 -0.002 0.000 0.216 589 E C 0.075 176.675 176.600 0.000 0.000 1.092 589 E CA -0.143 56.277 56.400 0.033 0.000 1.370 589 E CB -0.728 28.990 29.700 0.030 0.000 1.227 589 E HN 0.246 nan 8.360 nan 0.000 0.442 590 T N -1.366 113.175 114.554 -0.021 0.000 3.176 590 T HA 0.191 4.540 4.350 -0.002 0.000 0.263 590 T C 1.133 175.819 174.700 -0.023 0.000 1.021 590 T CA 0.062 62.145 62.100 -0.028 0.000 0.905 590 T CB 0.171 69.008 68.868 -0.052 0.000 1.057 590 T HN 0.171 nan 8.240 nan 0.000 0.558 591 L N 0.405 121.613 121.223 -0.026 0.000 4.252 591 L HA -0.306 4.033 4.340 -0.002 0.000 0.370 591 L C 1.193 178.047 176.870 -0.027 0.000 0.743 591 L CA 2.693 57.525 54.840 -0.014 0.000 2.767 591 L CB -1.756 40.313 42.059 0.017 0.000 0.809 591 L HN 0.395 nan 8.230 nan 0.000 0.696 592 E N -0.359 119.823 120.200 -0.030 0.000 2.274 592 E HA 0.173 4.522 4.350 -0.002 0.000 0.194 592 E C 2.099 178.661 176.600 -0.063 0.000 0.996 592 E CA 1.361 57.742 56.400 -0.032 0.000 0.840 592 E CB -0.173 29.505 29.700 -0.037 0.000 0.772 592 E HN 0.727 nan 8.360 nan 0.000 0.491 593 A N 0.352 123.124 122.820 -0.079 0.000 1.897 593 A HA -0.159 4.160 4.320 -0.002 0.000 0.215 593 A C 2.058 179.549 177.584 -0.154 0.000 1.181 593 A CA 0.904 52.900 52.037 -0.069 0.000 0.620 593 A CB -0.266 18.738 19.000 0.007 0.000 0.821 593 A HN 0.083 nan 8.150 nan 0.000 0.443 594 Q N 0.152 119.803 119.800 -0.248 0.000 2.096 594 Q HA -0.201 4.137 4.340 -0.002 0.000 0.204 594 Q C 1.922 177.484 176.000 -0.730 0.000 0.982 594 Q CA 1.952 57.403 55.803 -0.585 0.000 0.850 594 Q CB -0.338 28.039 28.738 -0.602 0.000 0.901 594 Q HN 0.813 nan 8.270 nan 0.000 0.422 595 E N -0.327 119.706 120.200 -0.278 0.000 2.072 595 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 595 E C 2.110 178.725 176.600 0.025 0.000 0.985 595 E CA 0.772 57.194 56.400 0.037 0.000 0.801 595 E CB -0.133 29.655 29.700 0.147 0.000 0.750 595 E HN 0.360 nan 8.360 nan 0.000 0.452 596 M N 0.643 120.218 119.600 -0.040 0.000 2.149 596 M HA -0.149 4.329 4.480 -0.002 0.000 0.261 596 M C 2.540 178.838 176.300 -0.003 0.000 1.064 596 M CA 1.090 56.382 55.300 -0.014 0.000 1.102 596 M CB -0.482 32.100 32.600 -0.029 0.000 1.369 596 M HN 0.188 nan 8.290 nan 0.000 0.408 597 L N -0.525 120.639 121.223 -0.099 0.000 2.046 597 L HA -0.204 4.134 4.340 -0.002 0.000 0.208 597 L C 2.373 179.241 176.870 -0.003 0.000 1.077 597 L CA 1.328 56.109 54.840 -0.098 0.000 0.747 597 L CB -0.277 41.618 42.059 -0.273 0.000 0.896 597 L HN 0.341 nan 8.230 nan 0.000 0.432 598 W N -0.215 121.135 121.300 0.084 0.000 2.355 598 W HA -0.180 4.479 4.660 -0.002 0.000 0.309 598 W C 2.481 179.060 176.519 0.100 0.000 1.206 598 W CA 0.757 58.150 57.345 0.080 0.000 1.284 598 W CB -1.031 28.463 29.460 0.056 0.000 1.145 598 W HN 0.194 nan 8.180 nan 0.000 0.502 599 L N -0.112 121.291 121.223 0.301 0.000 2.013 599 L HA -0.287 4.052 4.340 -0.002 0.000 0.212 599 L C 2.486 179.518 176.870 0.269 0.000 1.073 599 L CA 1.379 56.374 54.840 0.257 0.000 0.753 599 L CB -0.812 41.347 42.059 0.166 0.000 0.890 599 L HN -0.066 nan 8.230 nan 0.000 0.432 600 L N -1.118 120.231 121.223 0.210 0.000 2.017 600 L HA -0.263 4.076 4.340 -0.002 0.000 0.208 600 L C 2.736 179.829 176.870 0.371 0.000 1.073 600 L CA 1.339 56.348 54.840 0.282 0.000 0.745 600 L CB -0.718 41.493 42.059 0.254 0.000 0.894 600 L HN 0.385 nan 8.230 nan 0.000 0.432 601 Q N 0.021 120.003 119.800 0.302 0.000 2.077 601 Q HA -0.268 4.071 4.340 -0.002 0.000 0.206 601 Q C 2.409 178.564 176.000 0.258 0.000 0.989 601 Q CA 1.836 57.805 55.803 0.277 0.000 0.853 601 Q CB -0.437 28.463 28.738 0.270 0.000 0.907 601 Q HN 0.587 nan 8.270 nan 0.000 0.418 602 A N 0.833 123.802 122.820 0.250 0.000 1.865 602 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 602 A C 2.442 180.211 177.584 0.308 0.000 1.191 602 A CA 1.875 54.011 52.037 0.164 0.000 0.623 602 A CB -0.908 18.122 19.000 0.050 0.000 0.826 602 A HN 0.224 nan 8.150 nan 0.000 0.444 603 V N -0.997 119.225 119.914 0.513 0.000 2.343 603 V HA -0.249 3.870 4.120 -0.002 0.000 0.247 603 V C 2.445 178.772 176.094 0.389 0.000 1.051 603 V CA 2.172 64.830 62.300 0.597 0.000 1.036 603 V CB -0.672 31.479 31.823 0.547 0.000 0.654 603 V HN 0.571 nan 8.190 nan 0.000 0.451 604 M N -0.054 119.730 119.600 0.308 0.000 2.748 604 M HA 0.032 4.510 4.480 -0.002 0.000 0.241 604 M C 0.770 177.143 176.300 0.122 0.000 1.080 604 M CA 1.012 56.358 55.300 0.077 0.000 1.068 604 M CB -0.468 32.099 32.600 -0.054 0.000 1.536 604 M HN 0.433 nan 8.290 nan 0.000 0.540 605 T N -1.010 113.649 114.554 0.176 0.000 3.970 605 T HA 0.139 4.487 4.350 -0.002 0.000 0.160 605 T C -2.703 172.077 174.700 0.133 0.000 0.529 605 T CA -0.658 61.532 62.100 0.150 0.000 1.005 605 T CB 0.078 69.040 68.868 0.157 0.000 1.287 605 T HN 0.094 nan 8.240 nan 0.000 0.532 606 P HA 0.033 nan 4.420 nan 0.000 0.234 606 P C 1.203 178.561 177.300 0.097 0.000 1.167 606 P CA 0.499 63.638 63.100 0.065 0.000 0.763 606 P CB 0.369 32.135 31.700 0.109 0.000 0.835 607 E N 1.311 121.581 120.200 0.116 0.000 2.038 607 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 607 E C 1.050 177.731 176.600 0.135 0.000 1.000 607 E CA 0.886 57.359 56.400 0.122 0.000 0.803 607 E CB -0.856 28.901 29.700 0.096 0.000 0.750 607 E HN 0.398 nan 8.360 nan 0.000 0.448 608 R N 2.398 122.967 120.500 0.116 0.000 2.824 608 R HA 0.029 4.368 4.340 -0.002 0.000 0.240 608 R C 1.190 177.578 176.300 0.147 0.000 1.548 608 R CA -0.006 56.158 56.100 0.107 0.000 1.119 608 R CB -0.204 30.147 30.300 0.085 0.000 1.189 608 R HN 0.325 nan 8.270 nan 0.000 0.596 609 E N 2.501 122.816 120.200 0.191 0.000 2.434 609 E HA -0.466 3.883 4.350 -0.002 0.000 0.245 609 E C 0.998 177.769 176.600 0.286 0.000 1.097 609 E CA 2.329 58.901 56.400 0.287 0.000 1.123 609 E CB -0.032 29.651 29.700 -0.028 0.000 0.977 609 E HN 0.641 nan 8.360 nan 0.000 0.480 610 N N -1.362 117.409 118.700 0.118 0.000 2.043 610 N HA -0.163 4.576 4.740 -0.002 0.000 0.193 610 N C 1.953 177.501 175.510 0.063 0.000 1.037 610 N CA 1.933 55.028 53.050 0.075 0.000 0.851 610 N CB -0.156 38.347 38.487 0.027 0.000 1.027 610 N HN 0.404 nan 8.380 nan 0.000 0.422 611 T N -0.720 113.873 114.554 0.065 0.000 3.007 611 T HA -0.042 4.307 4.350 -0.002 0.000 0.270 611 T C 1.772 176.481 174.700 0.014 0.000 1.107 611 T CA 0.443 62.574 62.100 0.053 0.000 1.118 611 T CB -0.095 68.829 68.868 0.093 0.000 0.889 611 T HN 0.170 nan 8.240 nan 0.000 0.506 612 L N -0.216 121.002 121.223 -0.008 0.000 2.145 612 L HA 0.268 4.607 4.340 -0.002 0.000 0.201 612 L C 3.094 179.855 176.870 -0.181 0.000 1.075 612 L CA 0.577 55.298 54.840 -0.197 0.000 0.773 612 L CB -0.289 41.589 42.059 -0.302 0.000 0.936 612 L HN 0.151 nan 8.230 nan 0.000 0.451 613 R N -0.724 119.786 120.500 0.015 0.000 2.117 613 R HA -0.198 4.141 4.340 -0.002 0.000 0.243 613 R C 2.339 178.612 176.300 -0.045 0.000 1.143 613 R CA 1.867 58.007 56.100 0.066 0.000 0.968 613 R CB -0.153 30.284 30.300 0.230 0.000 0.863 613 R HN 0.283 nan 8.270 nan 0.000 0.444 614 S N -0.282 115.367 115.700 -0.086 0.000 2.356 614 S HA -0.120 4.349 4.470 -0.002 0.000 0.223 614 S C 1.859 176.382 174.600 -0.129 0.000 1.032 614 S CA 1.193 59.276 58.200 -0.196 0.000 1.005 614 S CB -0.156 62.850 63.200 -0.323 0.000 0.867 614 S HN 0.573 nan 8.310 nan 0.000 0.449 615 A N 1.314 124.111 122.820 -0.037 0.000 1.877 615 A HA -0.029 4.290 4.320 -0.002 0.000 0.216 615 A C 2.055 179.651 177.584 0.020 0.000 1.186 615 A CA 1.300 53.375 52.037 0.062 0.000 0.620 615 A CB -0.800 18.237 19.000 0.062 0.000 0.822 615 A HN 0.511 nan 8.150 nan 0.000 0.443 616 L N -0.868 120.312 121.223 -0.071 0.000 2.191 616 L HA -0.168 4.171 4.340 -0.002 0.000 0.212 616 L C 2.865 179.729 176.870 -0.010 0.000 1.103 616 L CA 0.848 55.662 54.840 -0.044 0.000 0.769 616 L CB -0.442 41.547 42.059 -0.116 0.000 0.908 616 L HN 0.448 nan 8.230 nan 0.000 0.438 617 A N -0.396 122.407 122.820 -0.028 0.000 2.067 617 A HA -0.026 4.293 4.320 -0.002 0.000 0.217 617 A C 1.380 178.965 177.584 0.001 0.000 1.156 617 A CA 0.752 52.773 52.037 -0.027 0.000 0.683 617 A CB -0.778 18.178 19.000 -0.073 0.000 0.808 617 A HN 0.453 nan 8.150 nan 0.000 0.455 618 T N -0.439 114.142 114.554 0.044 0.000 2.946 618 T HA 0.150 4.498 4.350 -0.002 0.000 0.312 618 T C 1.232 175.984 174.700 0.087 0.000 1.066 618 T CA 0.399 62.572 62.100 0.121 0.000 1.138 618 T CB 0.764 69.764 68.868 0.219 0.000 1.014 618 T HN 0.670 nan 8.240 nan 0.000 0.544 619 S N 3.553 119.306 115.700 0.089 0.000 2.419 619 S HA -0.236 4.233 4.470 -0.002 0.000 0.233 619 S C 2.002 176.635 174.600 0.054 0.000 1.016 619 S CA 1.116 59.352 58.200 0.061 0.000 0.974 619 S CB -0.787 62.448 63.200 0.058 0.000 0.786 619 S HN 0.798 nan 8.310 nan 0.000 0.492 620 M N 0.576 120.216 119.600 0.066 0.000 2.106 620 M HA -0.069 4.409 4.480 -0.002 0.000 0.259 620 M C 1.639 177.965 176.300 0.043 0.000 1.068 620 M CA 1.702 57.032 55.300 0.049 0.000 1.100 620 M CB -0.335 32.298 32.600 0.056 0.000 1.351 620 M HN 0.296 nan 8.290 nan 0.000 0.404 621 M N -0.274 119.359 119.600 0.055 0.000 2.619 621 M HA 0.101 4.580 4.480 -0.002 0.000 0.251 621 M C 1.419 177.742 176.300 0.039 0.000 1.106 621 M CA 1.117 56.448 55.300 0.052 0.000 1.086 621 M CB -1.252 31.390 32.600 0.070 0.000 1.465 621 M HN 0.605 nan 8.290 nan 0.000 0.506 622 G N 1.855 110.676 108.800 0.035 0.000 2.203 622 G HA2 -0.247 3.711 3.960 -0.002 0.000 0.263 622 G HA3 -0.247 3.711 3.960 -0.002 0.000 0.263 622 G C 0.290 175.205 174.900 0.024 0.000 1.012 622 G CA 0.104 45.220 45.100 0.027 0.000 0.749 622 G HN 0.425 nan 8.290 nan 0.000 0.512 623 L N -0.935 120.303 121.223 0.025 0.000 2.475 623 L HA 0.345 4.684 4.340 -0.002 0.000 0.250 623 L C 0.827 177.706 176.870 0.016 0.000 1.224 623 L CA -0.626 54.226 54.840 0.020 0.000 0.821 623 L CB 0.246 42.316 42.059 0.019 0.000 1.141 623 L HN 0.096 nan 8.230 nan 0.000 0.494 624 N N -0.921 117.787 118.700 0.015 0.000 2.443 624 N HA 0.363 5.102 4.740 -0.002 0.000 0.293 624 N C 0.429 175.946 175.510 0.011 0.000 1.159 624 N CA 0.013 53.071 53.050 0.012 0.000 0.904 624 N CB 1.924 40.418 38.487 0.012 0.000 1.214 624 N HN 0.638 nan 8.380 nan 0.000 0.513 625 A N 1.929 124.754 122.820 0.008 0.000 1.877 625 A HA -0.112 4.207 4.320 -0.002 0.000 0.216 625 A C 1.937 179.526 177.584 0.009 0.000 1.186 625 A CA 0.966 53.006 52.037 0.006 0.000 0.620 625 A CB -0.662 18.339 19.000 0.003 0.000 0.822 625 A HN 0.663 nan 8.150 nan 0.000 0.443 626 L N -0.229 120.999 121.223 0.009 0.000 2.083 626 L HA -0.184 4.154 4.340 -0.002 0.000 0.209 626 L C 1.624 178.503 176.870 0.014 0.000 1.083 626 L CA 2.447 57.293 54.840 0.010 0.000 0.752 626 L CB -1.091 40.973 42.059 0.009 0.000 0.899 626 L HN 0.371 nan 8.230 nan 0.000 0.433 627 D N 0.273 120.683 120.400 0.016 0.000 2.078 627 D HA -0.204 4.435 4.640 -0.002 0.000 0.193 627 D C 2.344 178.661 176.300 0.029 0.000 0.990 627 D CA 1.354 55.366 54.000 0.021 0.000 0.827 627 D CB 0.015 40.826 40.800 0.019 0.000 0.975 627 D HN 0.272 nan 8.370 nan 0.000 0.451 628 I N 1.331 121.919 120.570 0.029 0.000 2.145 628 I HA -0.265 3.904 4.170 -0.002 0.000 0.244 628 I C 2.449 178.598 176.117 0.053 0.000 1.075 628 I CA 1.220 62.546 61.300 0.045 0.000 1.332 628 I CB -1.323 36.695 38.000 0.029 0.000 1.033 628 I HN 0.045 nan 8.210 nan 0.000 0.410 629 E N 1.559 121.777 120.200 0.030 0.000 2.021 629 E HA -0.240 4.109 4.350 -0.002 0.000 0.200 629 E C 2.265 178.879 176.600 0.024 0.000 1.015 629 E CA 2.970 59.382 56.400 0.020 0.000 0.824 629 E CB -0.613 29.092 29.700 0.009 0.000 0.762 629 E HN 0.566 nan 8.360 nan 0.000 0.454 630 T N -0.807 113.760 114.554 0.022 0.000 2.737 630 T HA -0.205 4.144 4.350 -0.002 0.000 0.269 630 T C 2.094 176.811 174.700 0.029 0.000 1.040 630 T CA 1.591 63.701 62.100 0.017 0.000 1.142 630 T CB -0.577 68.299 68.868 0.014 0.000 0.861 630 T HN 0.234 nan 8.240 nan 0.000 0.456 631 L N 0.619 121.882 121.223 0.066 0.000 2.376 631 L HA 0.065 4.404 4.340 -0.002 0.000 0.219 631 L C 2.305 179.297 176.870 0.203 0.000 1.133 631 L CA 0.792 55.710 54.840 0.131 0.000 0.816 631 L CB -0.329 41.816 42.059 0.145 0.000 0.933 631 L HN 0.276 nan 8.230 nan 0.000 0.449 632 N N -0.145 118.619 118.700 0.108 0.000 2.376 632 N HA -0.069 4.669 4.740 -0.002 0.000 0.177 632 N C 1.130 176.604 175.510 -0.061 0.000 1.024 632 N CA 0.728 53.780 53.050 0.003 0.000 0.893 632 N CB -0.058 38.418 38.487 -0.019 0.000 0.980 632 N HN 0.397 nan 8.380 nan 0.000 0.439 633 N N 0.352 119.035 118.700 -0.030 0.000 2.392 633 N HA -0.056 4.683 4.740 -0.002 0.000 0.177 633 N C -0.151 175.322 175.510 -0.062 0.000 1.066 633 N CA 0.390 53.414 53.050 -0.043 0.000 0.895 633 N CB 0.302 38.775 38.487 -0.023 0.000 0.988 633 N HN 0.133 nan 8.380 nan 0.000 0.457 634 D N 1.070 121.416 120.400 -0.091 0.000 2.518 634 D HA 0.051 4.690 4.640 -0.002 0.000 0.230 634 D C 0.586 176.736 176.300 -0.251 0.000 1.138 634 D CA -0.137 53.706 54.000 -0.262 0.000 0.964 634 D CB 0.643 41.290 40.800 -0.255 0.000 1.011 634 D HN 0.089 nan 8.370 nan 0.000 0.517 635 E N 1.139 121.254 120.200 -0.140 0.000 2.267 635 E HA -0.221 4.128 4.350 -0.002 0.000 0.197 635 E C 1.436 178.100 176.600 0.107 0.000 0.998 635 E CA 1.176 57.578 56.400 0.004 0.000 0.830 635 E CB 0.223 29.937 29.700 0.023 0.000 0.751 635 E HN 0.544 nan 8.360 nan 0.000 0.491 636 H N -1.252 117.874 119.070 0.094 0.000 2.403 636 H HA 0.127 4.682 4.556 -0.002 0.000 0.298 636 H C 1.998 177.393 175.328 0.113 0.000 1.059 636 H CA 1.027 57.129 56.048 0.090 0.000 1.363 636 H CB -0.711 29.086 29.762 0.058 0.000 1.410 636 H HN 0.234 nan 8.280 nan 0.000 0.528 637 A N 2.445 125.248 122.820 -0.028 0.000 1.933 637 A HA -0.152 4.167 4.320 -0.002 0.000 0.218 637 A C 2.250 179.889 177.584 0.092 0.000 1.175 637 A CA 1.124 53.178 52.037 0.028 0.000 0.628 637 A CB -1.158 17.824 19.000 -0.031 0.000 0.814 637 A HN 0.617 nan 8.150 nan 0.000 0.444 638 W N 1.547 122.817 121.300 -0.050 0.000 2.354 638 W HA -0.156 4.503 4.660 -0.002 0.000 0.315 638 W C 0.819 177.341 176.519 0.006 0.000 1.206 638 W CA 2.026 59.356 57.345 -0.025 0.000 1.290 638 W CB -0.489 28.948 29.460 -0.039 0.000 1.152 638 W HN 0.442 nan 8.180 nan 0.000 0.489 639 D N 0.470 121.063 120.400 0.323 0.000 2.351 639 D HA -0.137 4.501 4.640 -0.002 0.000 0.216 639 D C 2.190 178.541 176.300 0.085 0.000 0.968 639 D CA 0.929 55.057 54.000 0.213 0.000 0.899 639 D CB -0.158 40.768 40.800 0.209 0.000 0.907 639 D HN 0.099 nan 8.370 nan 0.000 0.514 640 V N 0.520 120.471 119.914 0.061 0.000 2.407 640 V HA -0.160 3.959 4.120 -0.002 0.000 0.245 640 V C 2.564 178.654 176.094 -0.008 0.000 1.041 640 V CA 0.804 63.122 62.300 0.030 0.000 1.040 640 V CB 0.062 31.909 31.823 0.040 0.000 0.671 640 V HN 0.038 nan 8.190 nan 0.000 0.455 641 V N -0.407 119.469 119.914 -0.063 0.000 2.515 641 V HA -0.171 3.948 4.120 -0.002 0.000 0.250 641 V C 2.383 178.454 176.094 -0.039 0.000 1.058 641 V CA 1.545 63.804 62.300 -0.069 0.000 1.064 641 V CB -0.258 31.413 31.823 -0.253 0.000 0.675 641 V HN 0.401 nan 8.190 nan 0.000 0.461 642 V N -0.154 119.678 119.914 -0.137 0.000 2.343 642 V HA -0.265 3.853 4.120 -0.002 0.000 0.247 642 V C 2.471 178.596 176.094 0.052 0.000 1.051 642 V CA 2.094 64.368 62.300 -0.045 0.000 1.036 642 V CB -0.530 31.304 31.823 0.018 0.000 0.654 642 V HN 0.529 nan 8.190 nan 0.000 0.451 643 E N 0.055 120.269 120.200 0.023 0.000 2.051 643 E HA -0.237 4.111 4.350 -0.002 0.000 0.192 643 E C 2.280 178.841 176.600 -0.064 0.000 0.991 643 E CA 1.468 57.867 56.400 -0.002 0.000 0.799 643 E CB -0.255 29.440 29.700 -0.009 0.000 0.748 643 E HN 0.689 nan 8.360 nan 0.000 0.449 644 E N -0.486 119.662 120.200 -0.087 0.000 2.086 644 E HA -0.261 4.088 4.350 -0.002 0.000 0.200 644 E C 1.656 177.931 176.600 -0.540 0.000 1.012 644 E CA 1.400 57.627 56.400 -0.289 0.000 0.812 644 E CB -0.232 29.381 29.700 -0.145 0.000 0.743 644 E HN 0.283 nan 8.360 nan 0.000 0.453 645 F N 0.803 120.608 119.950 -0.242 0.000 2.325 645 F HA -0.042 4.484 4.527 -0.002 0.000 0.299 645 F C 2.092 177.870 175.800 -0.037 0.000 1.090 645 F CA 1.347 59.303 58.000 -0.073 0.000 1.392 645 F CB -0.117 38.905 39.000 0.038 0.000 1.053 645 F HN 0.103 nan 8.300 nan 0.000 0.521 646 D N -0.529 119.914 120.400 0.073 0.000 2.183 646 D HA -0.077 4.562 4.640 -0.002 0.000 0.203 646 D C 2.504 178.793 176.300 -0.018 0.000 0.969 646 D CA 1.284 55.318 54.000 0.055 0.000 0.842 646 D CB -0.432 40.392 40.800 0.040 0.000 0.957 646 D HN 0.209 nan 8.370 nan 0.000 0.484 647 G N -0.801 107.906 108.800 -0.154 0.000 2.418 647 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.217 647 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.217 647 G C 1.192 176.002 174.900 -0.149 0.000 1.158 647 G CA 0.763 45.740 45.100 -0.204 0.000 0.771 647 G HN 0.260 nan 8.290 nan 0.000 0.545 648 Y N 1.633 121.893 120.300 -0.067 0.000 2.145 648 Y HA -0.136 4.413 4.550 -0.002 0.000 0.286 648 Y C 2.961 178.914 175.900 0.088 0.000 1.145 648 Y CA 1.301 59.364 58.100 -0.062 0.000 1.148 648 Y CB -0.797 37.531 38.460 -0.220 0.000 0.981 648 Y HN 0.332 nan 8.280 nan 0.000 0.507 649 R N 0.037 120.702 120.500 0.275 0.000 2.139 649 R HA -0.244 4.095 4.340 -0.002 0.000 0.243 649 R C 1.919 178.330 176.300 0.184 0.000 1.145 649 R CA 1.837 58.095 56.100 0.263 0.000 0.976 649 R CB -0.692 29.694 30.300 0.143 0.000 0.866 649 R HN 0.198 nan 8.270 nan 0.000 0.449 650 Q N 0.763 120.637 119.800 0.123 0.000 2.079 650 Q HA -0.030 4.309 4.340 -0.002 0.000 0.200 650 Q C 2.009 178.076 176.000 0.112 0.000 0.974 650 Q CA 1.612 57.465 55.803 0.082 0.000 0.840 650 Q CB 0.027 28.790 28.738 0.043 0.000 0.898 650 Q HN 0.410 nan 8.270 nan 0.000 0.430 651 I N -0.887 119.768 120.570 0.141 0.000 2.179 651 I HA -0.243 3.926 4.170 -0.002 0.000 0.242 651 I C 2.015 178.254 176.117 0.203 0.000 1.088 651 I CA 0.971 62.353 61.300 0.136 0.000 1.357 651 I CB -1.835 36.240 38.000 0.126 0.000 1.051 651 I HN 0.397 nan 8.210 nan 0.000 0.409 652 W N 3.067 124.378 121.300 0.018 0.000 2.311 652 W HA -0.233 4.426 4.660 -0.002 0.000 0.326 652 W C 2.903 179.418 176.519 -0.006 0.000 1.239 652 W CA 1.814 59.159 57.345 0.000 0.000 1.258 652 W CB -1.013 28.448 29.460 0.002 0.000 1.165 652 W HN 0.105 nan 8.180 nan 0.000 0.466 653 R N -0.036 120.588 120.500 0.207 0.000 2.133 653 R HA -0.211 4.128 4.340 -0.002 0.000 0.247 653 R C 2.376 178.719 176.300 0.072 0.000 1.151 653 R CA 2.383 58.500 56.100 0.028 0.000 0.971 653 R CB -0.172 30.108 30.300 -0.033 0.000 0.866 653 R HN 0.241 nan 8.270 nan 0.000 0.447 654 K N -0.927 119.530 120.400 0.095 0.000 2.121 654 K HA 0.073 4.392 4.320 -0.002 0.000 0.203 654 K C 1.882 178.527 176.600 0.076 0.000 1.041 654 K CA 0.439 56.767 56.287 0.069 0.000 0.969 654 K CB 0.179 32.712 32.500 0.055 0.000 0.799 654 K HN -0.020 nan 8.250 nan 0.000 0.456 655 R N 0.296 120.849 120.500 0.087 0.000 2.308 655 R HA 0.206 4.545 4.340 -0.002 0.000 0.202 655 R C 0.568 176.906 176.300 0.063 0.000 0.898 655 R CA 0.456 56.594 56.100 0.063 0.000 1.046 655 R CB 1.087 31.413 30.300 0.043 0.000 1.026 655 R HN 0.390 nan 8.270 nan 0.000 0.512 656 G N -0.765 108.104 108.800 0.116 0.000 2.392 656 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.677 656 G HA3 -0.174 3.784 3.960 -0.002 0.000 0.677 656 G C 0.338 175.186 174.900 -0.086 0.000 1.334 656 G CA -0.506 44.638 45.100 0.073 0.000 0.961 656 G HN -0.172 nan 8.290 nan 0.000 0.616 657 V N 0.486 120.252 119.914 -0.247 0.000 2.379 657 V HA -0.096 4.023 4.120 -0.002 0.000 0.245 657 V C 2.884 178.748 176.094 -0.384 0.000 1.044 657 V CA 2.886 64.822 62.300 -0.607 0.000 1.036 657 V CB -0.657 30.831 31.823 -0.557 0.000 0.664 657 V HN 0.754 nan 8.190 nan 0.000 0.453 658 M N 0.469 119.936 119.600 -0.223 0.000 2.059 658 M HA -0.070 4.409 4.480 -0.002 0.000 0.259 658 M C -0.317 175.892 176.300 -0.151 0.000 1.072 658 M CA 2.477 57.678 55.300 -0.167 0.000 1.117 658 M CB -1.262 31.272 32.600 -0.109 0.000 1.320 658 M HN 0.148 nan 8.290 nan 0.000 0.408 659 P HA -0.222 nan 4.420 nan 0.000 0.216 659 P C 1.822 179.064 177.300 -0.096 0.000 1.150 659 P CA 1.377 64.431 63.100 -0.077 0.000 0.843 659 P CB -0.419 31.260 31.700 -0.035 0.000 0.787 660 M N -0.720 118.796 119.600 -0.139 0.000 2.059 660 M HA -0.131 4.348 4.480 -0.002 0.000 0.259 660 M C 1.923 178.060 176.300 -0.272 0.000 1.072 660 M CA 1.967 57.176 55.300 -0.152 0.000 1.117 660 M CB -1.402 31.085 32.600 -0.187 0.000 1.320 660 M HN -0.093 nan 8.290 nan 0.000 0.408 661 L N -0.327 120.707 121.223 -0.316 0.000 2.129 661 L HA -0.240 4.099 4.340 -0.002 0.000 0.212 661 L C 2.676 179.399 176.870 -0.246 0.000 1.087 661 L CA 1.438 56.090 54.840 -0.313 0.000 0.757 661 L CB -0.760 41.140 42.059 -0.265 0.000 0.896 661 L HN 0.394 nan 8.230 nan 0.000 0.434 662 R N -0.028 120.364 120.500 -0.180 0.000 2.090 662 R HA -0.079 4.260 4.340 -0.002 0.000 0.228 662 R C 2.376 178.605 176.300 -0.119 0.000 1.110 662 R CA 1.138 57.162 56.100 -0.126 0.000 0.973 662 R CB -0.164 30.084 30.300 -0.087 0.000 0.869 662 R HN 0.316 nan 8.270 nan 0.000 0.440 663 A N 1.228 123.975 122.820 -0.122 0.000 1.845 663 A HA -0.188 4.131 4.320 -0.002 0.000 0.215 663 A C 1.965 179.470 177.584 -0.132 0.000 1.195 663 A CA 1.526 53.530 52.037 -0.054 0.000 0.616 663 A CB -0.976 18.051 19.000 0.045 0.000 0.832 663 A HN 0.374 nan 8.150 nan 0.000 0.443 664 L N -0.216 120.718 121.223 -0.482 0.000 1.978 664 L HA -0.248 4.091 4.340 -0.002 0.000 0.218 664 L C 2.459 179.169 176.870 -0.267 0.000 1.075 664 L CA 2.727 57.141 54.840 -0.709 0.000 0.767 664 L CB -0.854 40.616 42.059 -0.981 0.000 0.890 664 L HN 0.502 nan 8.230 nan 0.000 0.434 665 M N -1.023 118.452 119.600 -0.209 0.000 2.149 665 M HA -0.219 4.260 4.480 -0.002 0.000 0.261 665 M C 2.152 178.414 176.300 -0.063 0.000 1.064 665 M CA 2.020 57.252 55.300 -0.112 0.000 1.102 665 M CB -0.436 32.105 32.600 -0.100 0.000 1.369 665 M HN 0.361 nan 8.290 nan 0.000 0.408 666 S N 0.419 116.086 115.700 -0.054 0.000 2.402 666 S HA -0.037 4.432 4.470 -0.002 0.000 0.229 666 S C 1.975 176.572 174.600 -0.004 0.000 1.021 666 S CA 1.083 59.269 58.200 -0.023 0.000 0.974 666 S CB -0.291 62.899 63.200 -0.016 0.000 0.800 666 S HN 0.550 nan 8.310 nan 0.000 0.484 667 A N 2.669 125.494 122.820 0.008 0.000 1.823 667 A HA 0.019 4.338 4.320 -0.002 0.000 0.214 667 A C 1.818 179.419 177.584 0.028 0.000 1.225 667 A CA 0.649 52.709 52.037 0.038 0.000 0.604 667 A CB -0.427 18.633 19.000 0.101 0.000 0.878 667 A HN 0.278 nan 8.150 nan 0.000 0.450 668 R N 0.911 121.426 120.500 0.025 0.000 2.395 668 R HA -0.033 4.305 4.340 -0.002 0.000 0.202 668 R C -0.529 175.777 176.300 0.009 0.000 1.088 668 R CA 0.369 56.485 56.100 0.025 0.000 1.090 668 R CB -1.053 29.264 30.300 0.029 0.000 0.876 668 R HN 0.580 nan 8.270 nan 0.000 0.477 669 N N 1.405 120.106 118.700 0.002 0.000 2.702 669 N HA -0.210 4.529 4.740 -0.002 0.000 0.261 669 N C 0.931 176.437 175.510 -0.006 0.000 0.965 669 N CA 0.596 53.644 53.050 -0.003 0.000 0.795 669 N CB -0.581 37.907 38.487 0.002 0.000 0.909 669 N HN 0.261 nan 8.380 nan 0.000 0.546 670 I N -0.071 120.490 120.570 -0.015 0.000 2.110 670 I HA -0.229 3.939 4.170 -0.002 0.000 0.236 670 I C 2.506 178.615 176.117 -0.014 0.000 1.068 670 I CA 1.688 62.979 61.300 -0.014 0.000 1.333 670 I CB -1.476 36.508 38.000 -0.028 0.000 1.054 670 I HN 0.373 nan 8.210 nan 0.000 0.402 671 A N 1.096 123.904 122.820 -0.021 0.000 1.873 671 A HA -0.266 4.052 4.320 -0.002 0.000 0.218 671 A C 2.191 179.767 177.584 -0.012 0.000 1.193 671 A CA 2.304 54.330 52.037 -0.018 0.000 0.629 671 A CB -0.956 18.030 19.000 -0.023 0.000 0.826 671 A HN 0.597 nan 8.150 nan 0.000 0.447 672 E N 0.148 120.341 120.200 -0.011 0.000 2.033 672 E HA -0.248 4.101 4.350 -0.002 0.000 0.199 672 E C 1.885 178.482 176.600 -0.005 0.000 1.011 672 E CA 1.435 57.830 56.400 -0.008 0.000 0.815 672 E CB -0.408 29.288 29.700 -0.007 0.000 0.755 672 E HN 0.594 nan 8.360 nan 0.000 0.451 673 N N 0.954 119.652 118.700 -0.003 0.000 2.058 673 N HA -0.135 4.604 4.740 -0.002 0.000 0.191 673 N C 2.039 177.549 175.510 0.001 0.000 1.037 673 N CA 0.854 53.904 53.050 0.000 0.000 0.848 673 N CB -0.504 37.985 38.487 0.003 0.000 1.021 673 N HN 0.112 nan 8.380 nan 0.000 0.422 674 L N 1.051 122.274 121.223 -0.000 0.000 1.997 674 L HA -0.189 4.150 4.340 -0.002 0.000 0.216 674 L C 2.244 179.115 176.870 0.001 0.000 1.074 674 L CA 1.130 55.971 54.840 0.001 0.000 0.763 674 L CB -0.485 41.573 42.059 -0.001 0.000 0.890 674 L HN 0.161 nan 8.230 nan 0.000 0.434 675 L N -0.813 120.409 121.223 -0.003 0.000 2.189 675 L HA -0.248 4.091 4.340 -0.002 0.000 0.214 675 L C 2.559 179.428 176.870 -0.003 0.000 1.097 675 L CA 1.052 55.890 54.840 -0.003 0.000 0.764 675 L CB -0.614 41.441 42.059 -0.006 0.000 0.900 675 L HN 0.317 nan 8.230 nan 0.000 0.436 676 A N -1.290 121.528 122.820 -0.003 0.000 2.123 676 A HA -0.042 4.277 4.320 -0.002 0.000 0.214 676 A C 1.690 179.273 177.584 -0.001 0.000 1.152 676 A CA 1.038 53.073 52.037 -0.003 0.000 0.728 676 A CB -0.334 18.664 19.000 -0.003 0.000 0.814 676 A HN 0.325 nan 8.150 nan 0.000 0.464 677 T N 1.302 115.857 114.554 0.002 0.000 3.327 677 T HA 0.510 4.859 4.350 -0.002 0.000 0.241 677 T C 0.330 175.034 174.700 0.006 0.000 0.907 677 T CA 0.547 62.650 62.100 0.004 0.000 0.931 677 T CB -1.053 67.819 68.868 0.007 0.000 1.112 677 T HN 1.428 nan 8.240 nan 0.000 0.589 678 A N 0.431 123.254 122.820 0.005 0.000 1.478 678 A HA 0.223 4.542 4.320 -0.002 0.000 0.209 678 A C 1.511 179.102 177.584 0.012 0.000 1.187 678 A CA 0.608 52.650 52.037 0.009 0.000 0.583 678 A CB -1.687 17.318 19.000 0.008 0.000 1.272 678 A HN 1.730 nan 8.150 nan 0.000 0.177 679 G N 1.139 109.948 108.800 0.015 0.000 2.189 679 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.267 679 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.267 679 G C 1.937 176.845 174.900 0.014 0.000 0.975 679 G CA 1.537 46.648 45.100 0.017 0.000 0.644 679 G HN 2.574 nan 8.290 nan 0.000 0.537 680 G N -0.201 108.605 108.800 0.011 0.000 2.535 680 G HA2 0.089 4.047 3.960 -0.002 0.000 0.218 680 G HA3 0.089 4.047 3.960 -0.002 0.000 0.218 680 G C 1.161 176.065 174.900 0.006 0.000 1.122 680 G CA 1.487 46.592 45.100 0.008 0.000 0.769 680 G HN 0.643 nan 8.290 nan 0.000 0.549 681 E N -0.231 119.974 120.200 0.008 0.000 2.086 681 E HA -0.051 4.297 4.350 -0.002 0.000 0.190 681 E C 2.592 179.197 176.600 0.009 0.000 0.975 681 E CA -0.028 56.376 56.400 0.007 0.000 0.813 681 E CB 0.005 29.711 29.700 0.009 0.000 0.768 681 E HN 0.080 nan 8.360 nan 0.000 0.457 682 R N 1.516 122.024 120.500 0.014 0.000 2.132 682 R HA -0.173 4.166 4.340 -0.002 0.000 0.233 682 R C 2.177 178.483 176.300 0.009 0.000 1.125 682 R CA 2.087 58.197 56.100 0.015 0.000 0.914 682 R CB -0.810 29.502 30.300 0.019 0.000 0.845 682 R HN 0.189 nan 8.270 nan 0.000 0.431 683 R N 0.117 120.621 120.500 0.007 0.000 2.113 683 R HA -0.197 4.142 4.340 -0.002 0.000 0.244 683 R C 2.304 178.602 176.300 -0.004 0.000 1.142 683 R CA 1.816 57.916 56.100 0.001 0.000 0.953 683 R CB -0.792 29.511 30.300 0.005 0.000 0.860 683 R HN 0.216 nan 8.270 nan 0.000 0.438 684 L N 0.869 122.091 121.223 -0.003 0.000 2.093 684 L HA -0.131 4.208 4.340 -0.002 0.000 0.208 684 L C 2.417 179.282 176.870 -0.008 0.000 1.085 684 L CA 2.446 57.281 54.840 -0.008 0.000 0.755 684 L CB -0.838 41.215 42.059 -0.009 0.000 0.904 684 L HN 0.305 nan 8.230 nan 0.000 0.435 685 T N -3.390 111.163 114.554 -0.002 0.000 2.985 685 T HA -0.112 4.237 4.350 -0.002 0.000 0.266 685 T C 1.625 176.338 174.700 0.021 0.000 1.076 685 T CA 1.105 63.205 62.100 0.000 0.000 1.135 685 T CB -0.456 68.410 68.868 -0.004 0.000 0.890 685 T HN 0.351 nan 8.240 nan 0.000 0.480 686 D N 1.279 121.689 120.400 0.017 0.000 2.117 686 D HA 0.012 4.650 4.640 -0.002 0.000 0.197 686 D C 2.073 178.360 176.300 -0.023 0.000 0.987 686 D CA 0.935 54.941 54.000 0.011 0.000 0.829 686 D CB -0.340 40.445 40.800 -0.026 0.000 0.961 686 D HN 0.461 nan 8.370 nan 0.000 0.460 687 I N 0.396 120.949 120.570 -0.029 0.000 2.208 687 I HA -0.259 3.909 4.170 -0.002 0.000 0.245 687 I C 2.017 178.111 176.117 -0.039 0.000 1.097 687 I CA 0.571 61.844 61.300 -0.044 0.000 1.363 687 I CB -0.040 37.938 38.000 -0.037 0.000 1.051 687 I HN 0.030 nan 8.210 nan 0.000 0.413 688 L N -0.152 121.061 121.223 -0.016 0.000 2.093 688 L HA -0.240 4.099 4.340 -0.002 0.000 0.208 688 L C 2.482 179.370 176.870 0.030 0.000 1.085 688 L CA 1.838 56.670 54.840 -0.013 0.000 0.755 688 L CB -1.640 40.409 42.059 -0.016 0.000 0.904 688 L HN 0.362 nan 8.230 nan 0.000 0.435 689 H N -0.772 118.244 119.070 -0.090 0.000 2.353 689 H HA -0.129 4.425 4.556 -0.002 0.000 0.300 689 H C 2.425 177.676 175.328 -0.128 0.000 1.090 689 H CA 1.373 57.359 56.048 -0.103 0.000 1.327 689 H CB 0.299 29.991 29.762 -0.116 0.000 1.383 689 H HN 0.224 nan 8.280 nan 0.000 0.508 690 I N 0.435 120.926 120.570 -0.132 0.000 2.208 690 I HA -0.283 3.886 4.170 -0.002 0.000 0.245 690 I C 2.453 178.531 176.117 -0.064 0.000 1.097 690 I CA 1.365 62.540 61.300 -0.209 0.000 1.363 690 I CB -0.193 37.693 38.000 -0.191 0.000 1.051 690 I HN 0.303 nan 8.210 nan 0.000 0.413 691 S N 0.143 115.811 115.700 -0.054 0.000 2.382 691 S HA -0.218 4.251 4.470 -0.002 0.000 0.228 691 S C 1.814 176.384 174.600 -0.050 0.000 1.027 691 S CA 1.284 59.443 58.200 -0.069 0.000 0.991 691 S CB -0.344 62.803 63.200 -0.088 0.000 0.823 691 S HN 0.476 nan 8.310 nan 0.000 0.469 692 E N 1.048 121.243 120.200 -0.007 0.000 2.072 692 E HA -0.051 4.298 4.350 -0.002 0.000 0.191 692 E C 1.990 178.592 176.600 0.004 0.000 0.985 692 E CA 0.895 57.297 56.400 0.004 0.000 0.801 692 E CB -0.253 29.470 29.700 0.039 0.000 0.750 692 E HN 0.437 nan 8.360 nan 0.000 0.452 693 L N 0.159 121.403 121.223 0.036 0.000 2.027 693 L HA -0.170 4.169 4.340 -0.002 0.000 0.206 693 L C 2.332 179.148 176.870 -0.089 0.000 1.074 693 L CA 0.361 55.227 54.840 0.044 0.000 0.745 693 L CB -0.388 41.772 42.059 0.168 0.000 0.898 693 L HN 0.192 nan 8.230 nan 0.000 0.433 694 L N -0.112 121.090 121.223 -0.035 0.000 2.081 694 L HA -0.245 4.094 4.340 -0.002 0.000 0.212 694 L C 2.683 179.435 176.870 -0.196 0.000 1.080 694 L CA 1.725 56.502 54.840 -0.105 0.000 0.754 694 L CB -0.966 41.074 42.059 -0.032 0.000 0.893 694 L HN 0.331 nan 8.230 nan 0.000 0.433 695 Q N -0.767 118.947 119.800 -0.143 0.000 2.172 695 Q HA -0.164 4.174 4.340 -0.002 0.000 0.200 695 Q C 2.012 177.931 176.000 -0.135 0.000 0.964 695 Q CA 1.204 56.932 55.803 -0.125 0.000 0.855 695 Q CB 0.209 28.893 28.738 -0.090 0.000 0.918 695 Q HN 0.650 nan 8.270 nan 0.000 0.444 696 E N 0.271 120.376 120.200 -0.159 0.000 2.028 696 E HA -0.096 4.253 4.350 -0.002 0.000 0.190 696 E C 1.979 178.429 176.600 -0.249 0.000 0.984 696 E CA 0.784 57.093 56.400 -0.151 0.000 0.800 696 E CB -0.129 29.501 29.700 -0.117 0.000 0.758 696 E HN 0.263 nan 8.360 nan 0.000 0.448 697 A N 1.607 124.140 122.820 -0.477 0.000 1.948 697 A HA -0.172 4.147 4.320 -0.002 0.000 0.220 697 A C 2.442 179.753 177.584 -0.454 0.000 1.177 697 A CA 1.893 53.470 52.037 -0.767 0.000 0.636 697 A CB -1.283 16.538 19.000 -1.965 0.000 0.815 697 A HN 0.367 nan 8.150 nan 0.000 0.449 698 G N -0.581 108.047 108.800 -0.287 0.000 2.432 698 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.219 698 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.219 698 G C 1.455 176.318 174.900 -0.061 0.000 1.135 698 G CA 1.652 46.690 45.100 -0.104 0.000 0.767 698 G HN 0.801 nan 8.290 nan 0.000 0.550 699 T N -1.781 112.726 114.554 -0.078 0.000 3.439 699 T HA 0.233 4.582 4.350 -0.002 0.000 0.251 699 T C 1.019 175.692 174.700 -0.046 0.000 1.108 699 T CA 0.286 62.359 62.100 -0.045 0.000 0.982 699 T CB 0.040 68.883 68.868 -0.041 0.000 1.024 699 T HN 0.369 nan 8.240 nan 0.000 0.573 700 Q N 0.655 120.418 119.800 -0.062 0.000 2.013 700 Q HA 0.411 4.749 4.340 -0.002 0.000 0.233 700 Q C -0.744 175.240 176.000 -0.026 0.000 0.834 700 Q CA -0.142 55.636 55.803 -0.042 0.000 1.040 700 Q CB 1.037 29.742 28.738 -0.055 0.000 1.248 700 Q HN 0.490 nan 8.270 nan 0.000 0.425 701 L N 0.278 121.489 121.223 -0.020 0.000 2.549 701 L HA 0.354 4.693 4.340 -0.002 0.000 0.259 701 L C -0.048 176.826 176.870 0.008 0.000 0.934 701 L CA -0.494 54.349 54.840 0.005 0.000 0.865 701 L CB 2.594 44.661 42.059 0.012 0.000 1.352 701 L HN -0.138 nan 8.230 nan 0.000 0.410 702 E N 1.008 121.214 120.200 0.011 0.000 2.496 702 E HA 0.243 4.592 4.350 -0.002 0.000 0.200 702 E C -0.620 175.975 176.600 -0.009 0.000 1.016 702 E CA 0.165 56.567 56.400 0.002 0.000 0.962 702 E CB 0.595 30.297 29.700 0.003 0.000 1.071 702 E HN 0.417 nan 8.360 nan 0.000 0.457 703 S N -0.405 115.290 115.700 -0.008 0.000 2.541 703 S HA 0.230 4.698 4.470 -0.002 0.000 0.280 703 S C 0.701 175.245 174.600 -0.092 0.000 1.112 703 S CA -0.669 57.507 58.200 -0.041 0.000 0.925 703 S CB 0.908 64.124 63.200 0.026 0.000 1.067 703 S HN 0.143 nan 8.310 nan 0.000 0.479 704 E N 2.913 122.924 120.200 -0.315 0.000 2.028 704 E HA -0.181 4.168 4.350 -0.002 0.000 0.191 704 E C 1.256 177.707 176.600 -0.249 0.000 0.988 704 E CA 1.446 57.502 56.400 -0.573 0.000 0.799 704 E CB -0.800 28.021 29.700 -1.464 0.000 0.755 704 E HN 0.779 nan 8.360 nan 0.000 0.447 705 H N 1.510 120.483 119.070 -0.160 0.000 2.357 705 H HA -0.096 4.459 4.556 -0.002 0.000 0.296 705 H C 2.191 177.555 175.328 0.060 0.000 1.108 705 H CA 1.648 57.681 56.048 -0.024 0.000 1.273 705 H CB -0.460 29.284 29.762 -0.030 0.000 1.367 705 H HN 0.321 nan 8.280 nan 0.000 0.498 706 A N 1.414 124.340 122.820 0.176 0.000 1.892 706 A HA -0.160 4.158 4.320 -0.002 0.000 0.218 706 A C 2.766 180.489 177.584 0.232 0.000 1.188 706 A CA 1.375 53.512 52.037 0.166 0.000 0.631 706 A CB -1.026 18.044 19.000 0.117 0.000 0.822 706 A HN 0.335 nan 8.150 nan 0.000 0.447 707 L N -0.278 121.087 121.223 0.237 0.000 2.012 707 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 707 L C 2.599 179.708 176.870 0.397 0.000 1.073 707 L CA 1.812 56.847 54.840 0.324 0.000 0.748 707 L CB -0.439 41.835 42.059 0.358 0.000 0.891 707 L HN 0.319 nan 8.230 nan 0.000 0.431 708 V N -0.350 119.774 119.914 0.350 0.000 2.252 708 V HA -0.364 3.755 4.120 -0.002 0.000 0.249 708 V C 2.587 178.825 176.094 0.240 0.000 1.056 708 V CA 2.214 64.697 62.300 0.305 0.000 1.022 708 V CB -0.736 31.255 31.823 0.280 0.000 0.641 708 V HN 0.431 nan 8.190 nan 0.000 0.445 709 R N -0.968 119.663 120.500 0.219 0.000 2.103 709 R HA -0.238 4.101 4.340 -0.002 0.000 0.242 709 R C 1.974 178.365 176.300 0.152 0.000 1.142 709 R CA 2.150 58.340 56.100 0.150 0.000 0.960 709 R CB -0.738 29.643 30.300 0.135 0.000 0.858 709 R HN 0.675 nan 8.270 nan 0.000 0.439 710 W N 0.090 121.436 121.300 0.077 0.000 2.350 710 W HA -0.182 4.477 4.660 -0.002 0.000 0.289 710 W C 1.573 178.165 176.519 0.121 0.000 1.215 710 W CA 1.399 58.803 57.345 0.098 0.000 1.236 710 W CB -0.181 29.350 29.460 0.118 0.000 1.130 710 W HN 0.132 nan 8.180 nan 0.000 0.541 711 L N -0.309 121.052 121.223 0.230 0.000 1.988 711 L HA -0.242 4.097 4.340 -0.002 0.000 0.207 711 L C 2.597 179.394 176.870 -0.121 0.000 1.071 711 L CA 2.015 56.888 54.840 0.055 0.000 0.744 711 L CB -1.096 41.062 42.059 0.164 0.000 0.893 711 L HN -0.156 nan 8.230 nan 0.000 0.433 712 S N -0.316 115.350 115.700 -0.057 0.000 2.378 712 S HA -0.367 4.102 4.470 -0.002 0.000 0.229 712 S C 1.745 176.230 174.600 -0.192 0.000 1.052 712 S CA 1.976 60.115 58.200 -0.100 0.000 1.084 712 S CB -0.401 62.771 63.200 -0.046 0.000 0.950 712 S HN 0.412 nan 8.310 nan 0.000 0.440 713 Q N 0.105 119.750 119.800 -0.259 0.000 2.077 713 Q HA -0.138 4.200 4.340 -0.002 0.000 0.206 713 Q C 2.054 177.733 176.000 -0.535 0.000 0.989 713 Q CA 1.626 57.197 55.803 -0.387 0.000 0.853 713 Q CB -0.232 28.224 28.738 -0.470 0.000 0.907 713 Q HN 0.642 nan 8.270 nan 0.000 0.418 714 H N -0.908 117.729 119.070 -0.722 0.000 2.495 714 H HA -0.005 4.550 4.556 -0.002 0.000 0.287 714 H C 1.754 176.710 175.328 -0.620 0.000 1.033 714 H CA 1.005 56.480 56.048 -0.955 0.000 1.307 714 H CB 0.260 28.880 29.762 -1.903 0.000 1.401 714 H HN 0.314 nan 8.280 nan 0.000 0.555 715 I N 0.274 120.672 120.570 -0.287 0.000 2.716 715 I HA -0.147 4.022 4.170 -0.002 0.000 0.259 715 I C 1.947 177.992 176.117 -0.120 0.000 1.172 715 I CA 0.511 61.737 61.300 -0.122 0.000 1.478 715 I CB 0.140 38.081 38.000 -0.099 0.000 1.104 715 I HN 0.121 nan 8.210 nan 0.000 0.439 716 L N -0.073 121.052 121.223 -0.163 0.000 2.307 716 L HA 0.030 4.369 4.340 -0.002 0.000 0.211 716 L C 0.653 177.438 176.870 -0.141 0.000 1.099 716 L CA 0.602 55.363 54.840 -0.132 0.000 0.816 716 L CB 0.102 42.084 42.059 -0.129 0.000 0.952 716 L HN 0.083 nan 8.230 nan 0.000 0.455 717 E N 0.510 120.595 120.200 -0.193 0.000 3.117 717 E HA 0.223 4.572 4.350 -0.002 0.000 0.262 717 E C -2.251 174.235 176.600 -0.190 0.000 1.202 717 E CA -1.644 54.647 56.400 -0.181 0.000 0.853 717 E CB 0.726 30.307 29.700 -0.198 0.000 1.426 717 E HN -0.025 nan 8.360 nan 0.000 0.387 718 P HA 0.279 nan 4.420 nan 0.000 0.342 718 P C -0.164 177.132 177.300 -0.007 0.000 1.384 718 P CA -0.005 63.069 63.100 -0.043 0.000 0.837 718 P CB 0.386 32.108 31.700 0.037 0.000 2.025 719 D N -2.070 118.361 120.400 0.052 0.000 3.018 719 D HA -0.203 4.435 4.640 -0.002 0.000 0.224 719 D C 0.884 177.218 176.300 0.057 0.000 1.185 719 D CA 1.141 55.174 54.000 0.055 0.000 0.858 719 D CB -1.220 39.596 40.800 0.027 0.000 1.112 719 D HN 0.323 nan 8.370 nan 0.000 0.415 720 S N -0.808 114.932 115.700 0.065 0.000 2.298 720 S HA -0.204 4.265 4.470 -0.002 0.000 0.261 720 S C 0.989 175.641 174.600 0.087 0.000 1.347 720 S CA 0.933 59.172 58.200 0.066 0.000 2.316 720 S CB -0.656 62.594 63.200 0.083 0.000 0.678 720 S HN 0.547 nan 8.310 nan 0.000 0.358 721 N N 0.999 119.768 118.700 0.115 0.000 2.288 721 N HA 0.423 5.161 4.740 -0.002 0.000 0.237 721 N C 1.020 176.594 175.510 0.106 0.000 1.311 721 N CA 0.099 53.216 53.050 0.111 0.000 0.909 721 N CB 0.150 38.712 38.487 0.125 0.000 1.167 721 N HN 0.578 nan 8.380 nan 0.000 0.476 722 A N 0.082 122.958 122.820 0.093 0.000 2.123 722 A HA -0.075 4.244 4.320 -0.002 0.000 0.214 722 A C 2.059 179.700 177.584 0.094 0.000 1.152 722 A CA 0.852 52.937 52.037 0.081 0.000 0.728 722 A CB -0.535 18.503 19.000 0.063 0.000 0.814 722 A HN 0.685 nan 8.150 nan 0.000 0.464 723 S N 0.409 116.176 115.700 0.112 0.000 2.428 723 S HA -0.099 4.370 4.470 -0.002 0.000 0.230 723 S C 1.642 176.357 174.600 0.192 0.000 1.014 723 S CA 1.317 59.600 58.200 0.137 0.000 0.957 723 S CB -0.615 62.665 63.200 0.134 0.000 0.784 723 S HN 0.782 nan 8.310 nan 0.000 0.499 724 S N 0.348 116.144 115.700 0.160 0.000 2.597 724 S HA 0.270 4.738 4.470 -0.002 0.000 0.224 724 S C 0.454 175.078 174.600 0.040 0.000 0.955 724 S CA -0.692 57.554 58.200 0.077 0.000 0.933 724 S CB -0.286 63.056 63.200 0.238 0.000 0.788 724 S HN 0.503 nan 8.310 nan 0.000 0.488 725 Q N 1.492 121.363 119.800 0.119 0.000 2.417 725 Q HA 0.217 4.555 4.340 -0.002 0.000 0.241 725 Q C -0.085 176.006 176.000 0.151 0.000 1.008 725 Q CA 0.044 55.906 55.803 0.098 0.000 0.901 725 Q CB 0.522 29.308 28.738 0.079 0.000 1.259 725 Q HN 0.508 nan 8.270 nan 0.000 0.489 726 Q N 1.415 121.269 119.800 0.091 0.000 2.314 726 Q HA 0.189 4.528 4.340 -0.002 0.000 0.258 726 Q C -0.323 175.717 176.000 0.067 0.000 0.954 726 Q CA 0.141 56.006 55.803 0.104 0.000 0.890 726 Q CB 0.713 29.485 28.738 0.057 0.000 1.210 726 Q HN 0.392 nan 8.270 nan 0.000 0.410 727 M N 2.599 122.222 119.600 0.038 0.000 2.235 727 M HA 0.315 4.794 4.480 -0.002 0.000 0.351 727 M C -0.192 176.099 176.300 -0.013 0.000 1.178 727 M CA -0.439 54.831 55.300 -0.049 0.000 1.143 727 M CB 0.324 32.823 32.600 -0.167 0.000 1.530 727 M HN 0.394 nan 8.290 nan 0.000 0.461 728 R N 1.890 122.381 120.500 -0.014 0.000 2.404 728 R HA 0.622 4.961 4.340 -0.002 0.000 0.291 728 R C -0.870 175.431 176.300 0.002 0.000 1.025 728 R CA -0.753 55.350 56.100 0.004 0.000 0.991 728 R CB 0.186 30.491 30.300 0.008 0.000 1.053 728 R HN 0.470 nan 8.270 nan 0.000 0.479 729 L N 1.117 122.350 121.223 0.016 0.000 2.439 729 L HA 0.247 4.586 4.340 -0.002 0.000 0.269 729 L C 0.478 177.367 176.870 0.032 0.000 1.179 729 L CA -0.244 54.608 54.840 0.019 0.000 0.828 729 L CB 0.007 42.083 42.059 0.029 0.000 1.106 729 L HN 0.740 nan 8.230 nan 0.000 0.467 730 E N 1.748 121.965 120.200 0.029 0.000 2.217 730 E HA 0.262 4.611 4.350 -0.002 0.000 0.279 730 E C 0.428 177.076 176.600 0.080 0.000 1.068 730 E CA 0.757 57.185 56.400 0.047 0.000 0.882 730 E CB 0.399 30.119 29.700 0.033 0.000 1.039 730 E HN 0.727 nan 8.360 nan 0.000 0.418 731 S N 2.426 118.209 115.700 0.138 0.000 1.598 731 S HA -0.148 4.321 4.470 -0.002 0.000 0.245 731 S C 0.941 175.684 174.600 0.237 0.000 0.755 731 S CA 0.195 58.530 58.200 0.225 0.000 0.994 731 S CB -1.345 61.915 63.200 0.099 0.000 1.015 731 S HN 0.437 nan 8.310 nan 0.000 0.508 732 D N 2.163 122.642 120.400 0.131 0.000 2.311 732 D HA 0.020 4.659 4.640 -0.002 0.000 0.212 732 D C 1.555 177.914 176.300 0.098 0.000 0.972 732 D CA 1.285 55.348 54.000 0.104 0.000 0.887 732 D CB -0.218 40.622 40.800 0.067 0.000 0.915 732 D HN 0.727 nan 8.370 nan 0.000 0.497 733 K N -0.439 120.014 120.400 0.087 0.000 2.283 733 K HA -0.110 4.209 4.320 -0.002 0.000 0.202 733 K C 0.547 177.040 176.600 -0.179 0.000 1.048 733 K CA 0.795 57.045 56.287 -0.060 0.000 0.948 733 K CB -0.029 32.383 32.500 -0.146 0.000 0.742 733 K HN 0.326 nan 8.250 nan 0.000 0.458 734 H N -0.337 118.774 119.070 0.068 0.000 2.503 734 H HA 0.303 4.858 4.556 -0.002 0.000 0.296 734 H C -0.656 174.732 175.328 0.100 0.000 1.097 734 H CA -0.178 55.921 56.048 0.085 0.000 1.055 734 H CB -0.001 29.813 29.762 0.088 0.000 1.580 734 H HN -0.074 nan 8.280 nan 0.000 0.546 735 L N 0.684 122.008 121.223 0.168 0.000 2.354 735 L HA 0.369 4.708 4.340 -0.002 0.000 0.269 735 L C 0.084 177.005 176.870 0.085 0.000 1.005 735 L CA -1.674 53.245 54.840 0.131 0.000 0.819 735 L CB 2.296 44.423 42.059 0.113 0.000 1.311 735 L HN 0.104 nan 8.230 nan 0.000 0.423 736 V N 0.757 120.698 119.914 0.046 0.000 2.763 736 V HA 0.112 4.231 4.120 -0.002 0.000 0.306 736 V C -0.201 175.913 176.094 0.033 0.000 1.059 736 V CA -0.139 62.174 62.300 0.022 0.000 1.138 736 V CB 0.658 32.459 31.823 -0.036 0.000 0.940 736 V HN 0.833 nan 8.190 nan 0.000 0.489 737 Q N 4.932 124.755 119.800 0.039 0.000 2.325 737 Q HA 0.554 4.893 4.340 -0.002 0.000 0.262 737 Q C -0.493 175.507 176.000 0.001 0.000 0.968 737 Q CA -0.458 55.373 55.803 0.046 0.000 0.877 737 Q CB 2.504 31.305 28.738 0.105 0.000 1.253 737 Q HN 0.936 nan 8.270 nan 0.000 0.448 738 I N 2.773 123.375 120.570 0.053 0.000 2.330 738 I HA 0.495 4.663 4.170 -0.002 0.000 0.289 738 I C -1.233 174.981 176.117 0.161 0.000 1.001 738 I CA -0.685 60.664 61.300 0.081 0.000 1.193 738 I CB 0.894 38.953 38.000 0.099 0.000 1.345 738 I HN 0.410 nan 8.210 nan 0.000 0.461 739 V N 6.074 126.028 119.914 0.066 0.000 3.126 739 V HA 0.661 4.780 4.120 -0.002 0.000 0.314 739 V C 0.096 176.252 176.094 0.103 0.000 1.138 739 V CA -0.042 62.280 62.300 0.036 0.000 1.034 739 V CB 2.624 34.452 31.823 0.007 0.000 1.075 739 V HN 0.877 nan 8.190 nan 0.000 0.442 740 T N 2.060 116.675 114.554 0.101 0.000 2.899 740 T HA 0.382 4.731 4.350 -0.002 0.000 0.284 740 T C 1.359 176.150 174.700 0.152 0.000 1.004 740 T CA -0.557 61.641 62.100 0.165 0.000 1.043 740 T CB 0.960 69.933 68.868 0.176 0.000 1.013 740 T HN 0.502 nan 8.240 nan 0.000 0.518 741 I N 0.869 121.540 120.570 0.169 0.000 2.248 741 I HA -0.219 3.950 4.170 -0.002 0.000 0.248 741 I C 2.229 178.369 176.117 0.039 0.000 1.107 741 I CA 1.865 63.212 61.300 0.078 0.000 1.373 741 I CB -1.524 36.487 38.000 0.019 0.000 1.055 741 I HN 0.757 nan 8.210 nan 0.000 0.418 742 H N 1.013 120.112 119.070 0.047 0.000 2.299 742 H HA -0.016 4.539 4.556 -0.002 0.000 0.302 742 H C 2.152 177.565 175.328 0.141 0.000 1.078 742 H CA 1.093 57.183 56.048 0.070 0.000 1.323 742 H CB -0.253 29.572 29.762 0.106 0.000 1.381 742 H HN 0.124 nan 8.280 nan 0.000 0.498 743 K N 0.864 121.415 120.400 0.252 0.000 2.442 743 K HA -0.074 4.245 4.320 -0.002 0.000 0.198 743 K C 1.888 178.578 176.600 0.151 0.000 1.044 743 K CA 1.054 57.446 56.287 0.176 0.000 0.948 743 K CB 0.001 32.558 32.500 0.095 0.000 0.762 743 K HN 0.391 nan 8.250 nan 0.000 0.472 744 S N 0.054 115.840 115.700 0.144 0.000 2.527 744 S HA 0.021 4.490 4.470 -0.002 0.000 0.222 744 S C 0.783 175.455 174.600 0.120 0.000 0.985 744 S CA -0.012 58.285 58.200 0.160 0.000 0.921 744 S CB 0.116 63.396 63.200 0.133 0.000 0.772 744 S HN 0.055 nan 8.310 nan 0.000 0.529 745 K N 1.215 121.669 120.400 0.091 0.000 2.489 745 K HA 0.280 4.599 4.320 -0.002 0.000 0.278 745 K C 1.371 178.011 176.600 0.067 0.000 1.000 745 K CA 1.102 57.427 56.287 0.063 0.000 1.012 745 K CB 0.096 32.652 32.500 0.092 0.000 0.903 745 K HN 0.457 nan 8.250 nan 0.000 0.485 746 G N 2.683 111.504 108.800 0.036 0.000 2.812 746 G HA2 -0.278 3.680 3.960 -0.002 0.000 0.219 746 G HA3 -0.278 3.680 3.960 -0.002 0.000 0.219 746 G C -0.174 174.722 174.900 -0.007 0.000 1.275 746 G CA -0.155 44.955 45.100 0.017 0.000 0.769 746 G HN 0.465 nan 8.290 nan 0.000 0.527 747 L N 1.836 123.065 121.223 0.010 0.000 2.483 747 L HA 0.579 4.918 4.340 -0.002 0.000 0.275 747 L C 0.695 177.502 176.870 -0.104 0.000 1.220 747 L CA 0.380 55.177 54.840 -0.073 0.000 0.833 747 L CB 0.923 42.985 42.059 0.005 0.000 1.102 747 L HN 0.550 nan 8.230 nan 0.000 0.490 748 E N 1.111 121.125 120.200 -0.310 0.000 2.238 748 E HA 0.530 4.879 4.350 -0.002 0.000 0.267 748 E C -1.842 174.470 176.600 -0.480 0.000 0.887 748 E CA -0.586 55.681 56.400 -0.222 0.000 0.769 748 E CB 1.491 31.100 29.700 -0.151 0.000 1.187 748 E HN 0.417 nan 8.360 nan 0.000 0.416 749 Y N 1.705 122.009 120.300 0.007 0.000 2.513 749 Y HA 0.249 4.798 4.550 -0.002 0.000 0.340 749 Y C -2.084 173.853 175.900 0.062 0.000 1.055 749 Y CA -1.614 56.505 58.100 0.031 0.000 1.020 749 Y CB 1.985 40.462 38.460 0.028 0.000 1.301 749 Y HN 0.441 nan 8.280 nan 0.000 0.453 750 P HA -0.043 nan 4.420 nan 0.000 0.215 750 P C -0.653 176.796 177.300 0.249 0.000 1.157 750 P CA 1.540 64.863 63.100 0.372 0.000 0.863 750 P CB 0.559 32.420 31.700 0.269 0.000 0.787 751 L N -1.151 120.115 121.223 0.071 0.000 2.410 751 L HA 0.572 4.911 4.340 -0.002 0.000 0.270 751 L C -0.530 176.381 176.870 0.069 0.000 0.983 751 L CA -1.078 53.735 54.840 -0.044 0.000 0.822 751 L CB 2.603 44.431 42.059 -0.384 0.000 1.285 751 L HN -0.278 nan 8.230 nan 0.000 0.409 752 V N 0.311 120.264 119.914 0.065 0.000 2.876 752 V HA 0.625 4.743 4.120 -0.002 0.000 0.312 752 V C -1.971 174.170 176.094 0.079 0.000 1.085 752 V CA -0.396 61.938 62.300 0.057 0.000 0.945 752 V CB 2.408 34.211 31.823 -0.034 0.000 1.017 752 V HN 0.772 nan 8.190 nan 0.000 0.428 753 W N 4.331 125.623 121.300 -0.013 0.000 2.573 753 W HA 0.755 5.414 4.660 -0.002 0.000 0.326 753 W C -0.767 175.676 176.519 -0.128 0.000 1.049 753 W CA -0.617 56.697 57.345 -0.050 0.000 1.220 753 W CB 2.249 31.634 29.460 -0.124 0.000 1.373 753 W HN 0.483 nan 8.180 nan 0.000 0.507 754 L N 7.620 128.952 121.223 0.182 0.000 2.581 754 L HA 0.278 4.617 4.340 -0.002 0.000 0.241 754 L C -1.282 175.663 176.870 0.124 0.000 1.265 754 L CA -2.094 52.794 54.840 0.079 0.000 0.954 754 L CB 0.590 42.669 42.059 0.033 0.000 1.269 754 L HN 0.219 nan 8.230 nan 0.000 0.475 755 P HA -0.143 nan 4.420 nan 0.000 0.218 755 P C 0.617 177.772 177.300 -0.243 0.000 1.148 755 P CA 1.504 64.432 63.100 -0.286 0.000 0.822 755 P CB 0.083 31.192 31.700 -0.986 0.000 0.784 756 F N -2.011 117.965 119.950 0.044 0.000 2.881 756 F HA 0.312 4.837 4.527 -0.002 0.000 0.343 756 F C 1.529 177.491 175.800 0.271 0.000 1.233 756 F CA -0.824 57.215 58.000 0.065 0.000 1.262 756 F CB -0.313 38.662 39.000 -0.042 0.000 0.980 756 F HN -0.278 nan 8.300 nan 0.000 0.506 757 I N 0.686 121.475 120.570 0.365 0.000 3.241 757 I HA -0.133 4.036 4.170 -0.002 0.000 0.280 757 I C 1.704 177.978 176.117 0.261 0.000 1.320 757 I CA 1.484 62.940 61.300 0.260 0.000 1.413 757 I CB -0.554 37.544 38.000 0.164 0.000 1.060 757 I HN 0.109 nan 8.210 nan 0.000 0.500 758 T N -0.031 114.734 114.554 0.351 0.000 3.060 758 T HA 0.153 4.501 4.350 -0.002 0.000 0.249 758 T C 0.912 175.731 174.700 0.199 0.000 1.079 758 T CA -0.243 61.953 62.100 0.161 0.000 1.013 758 T CB -0.261 68.550 68.868 -0.095 0.000 0.975 758 T HN 0.198 nan 8.240 nan 0.000 0.518 759 N N 1.530 120.393 118.700 0.272 0.000 2.416 759 N HA 0.171 4.910 4.740 -0.002 0.000 0.246 759 N C 0.187 175.829 175.510 0.220 0.000 1.260 759 N CA 0.353 53.499 53.050 0.159 0.000 0.897 759 N CB 0.602 39.176 38.487 0.144 0.000 1.110 759 N HN 0.240 nan 8.380 nan 0.000 0.439 760 F N 0.169 120.143 119.950 0.039 0.000 2.083 760 F HA 0.528 5.054 4.527 -0.002 0.000 0.225 760 F C -0.015 175.805 175.800 0.032 0.000 1.146 760 F CA -0.623 57.393 58.000 0.027 0.000 1.267 760 F CB 0.064 39.061 39.000 -0.005 0.000 1.684 760 F HN 0.235 nan 8.300 nan 0.000 0.436 761 R N 0.581 121.141 120.500 0.100 0.000 1.533 761 R HA 0.040 4.378 4.340 -0.002 0.000 0.408 761 R C -1.733 174.683 176.300 0.192 0.000 1.161 761 R CA 0.027 56.172 56.100 0.075 0.000 0.652 761 R CB -1.553 28.769 30.300 0.038 0.000 2.432 761 R HN 0.306 nan 8.270 nan 0.000 0.497 762 V N 3.610 123.652 119.914 0.212 0.000 2.585 762 V HA 0.010 4.129 4.120 -0.002 0.000 0.296 762 V C 1.043 177.211 176.094 0.122 0.000 1.035 762 V CA 0.102 62.504 62.300 0.170 0.000 1.084 762 V CB 1.287 33.200 31.823 0.150 0.000 0.953 762 V HN 0.394 nan 8.190 nan 0.000 0.483 763 Q N 3.342 123.214 119.800 0.120 0.000 2.297 763 Q HA 0.114 4.453 4.340 -0.002 0.000 0.267 763 Q C 0.470 176.538 176.000 0.114 0.000 1.006 763 Q CA 0.277 56.156 55.803 0.127 0.000 0.896 763 Q CB 1.138 29.964 28.738 0.147 0.000 1.186 763 Q HN 0.700 nan 8.270 nan 0.000 0.392 764 E N 1.864 122.132 120.200 0.113 0.000 2.514 764 E HA 0.082 4.431 4.350 -0.002 0.000 0.215 764 E C -0.386 176.284 176.600 0.118 0.000 0.946 764 E CA 0.141 56.600 56.400 0.099 0.000 1.038 764 E CB 0.697 30.444 29.700 0.078 0.000 1.069 764 E HN 0.562 nan 8.360 nan 0.000 0.503 765 Q N 0.391 120.282 119.800 0.151 0.000 2.288 765 Q HA 0.394 4.733 4.340 -0.002 0.000 0.258 765 Q C -0.430 175.709 176.000 0.231 0.000 0.957 765 Q CA -0.277 55.639 55.803 0.188 0.000 0.919 765 Q CB 1.427 30.294 28.738 0.215 0.000 1.185 765 Q HN -0.012 nan 8.270 nan 0.000 0.408 766 A N 4.802 127.753 122.820 0.219 0.000 3.063 766 A HA 0.137 4.456 4.320 -0.002 0.000 0.263 766 A C -0.807 176.988 177.584 0.352 0.000 1.736 766 A CA -0.040 52.148 52.037 0.251 0.000 1.408 766 A CB -0.726 18.387 19.000 0.188 0.000 1.108 766 A HN 0.545 nan 8.150 nan 0.000 0.621 767 F N 3.386 123.457 119.950 0.202 0.000 2.403 767 F HA 0.620 5.146 4.527 -0.002 0.000 0.355 767 F C -0.729 175.154 175.800 0.139 0.000 1.119 767 F CA -1.553 56.506 58.000 0.098 0.000 1.007 767 F CB 0.707 39.795 39.000 0.146 0.000 1.194 767 F HN 0.487 nan 8.300 nan 0.000 0.443 768 Y N 2.905 122.876 120.300 -0.550 0.000 2.638 768 Y HA 0.600 5.149 4.550 -0.002 0.000 0.339 768 Y C -1.324 174.144 175.900 -0.720 0.000 1.084 768 Y CA -1.378 56.464 58.100 -0.431 0.000 1.068 768 Y CB 1.135 39.496 38.460 -0.165 0.000 1.294 768 Y HN 0.426 nan 8.280 nan 0.000 0.480 769 H N 1.237 119.925 119.070 -0.637 0.000 2.458 769 H HA 0.166 4.721 4.556 -0.002 0.000 0.330 769 H C -1.269 173.745 175.328 -0.523 0.000 1.111 769 H CA -0.636 54.885 56.048 -0.878 0.000 1.245 769 H CB 1.870 30.671 29.762 -1.601 0.000 1.456 769 H HN 0.839 nan 8.280 nan 0.000 0.488 770 D N 1.544 121.749 120.400 -0.325 0.000 2.417 770 D HA -0.032 4.607 4.640 -0.002 0.000 0.250 770 D C 1.014 177.328 176.300 0.024 0.000 1.166 770 D CA -0.191 53.801 54.000 -0.014 0.000 0.881 770 D CB 0.810 41.611 40.800 0.001 0.000 1.164 770 D HN 0.292 nan 8.370 nan 0.000 0.467 771 R N 1.804 122.296 120.500 -0.013 0.000 2.293 771 R HA -0.069 4.270 4.340 -0.002 0.000 0.219 771 R C 0.959 177.086 176.300 -0.287 0.000 1.091 771 R CA 1.208 57.244 56.100 -0.107 0.000 1.004 771 R CB -0.184 29.979 30.300 -0.228 0.000 0.865 771 R HN 0.633 nan 8.270 nan 0.000 0.469 772 H N -2.620 116.504 119.070 0.091 0.000 2.426 772 H HA 0.221 4.775 4.556 -0.002 0.000 0.286 772 H C 1.594 176.750 175.328 -0.286 0.000 0.990 772 H CA 1.215 57.197 56.048 -0.111 0.000 1.237 772 H CB -0.037 29.693 29.762 -0.053 0.000 1.466 772 H HN 0.204 nan 8.280 nan 0.000 0.525 773 S N 0.414 116.110 115.700 -0.006 0.000 2.558 773 S HA 0.020 4.489 4.470 -0.002 0.000 0.217 773 S C 0.822 175.463 174.600 0.069 0.000 0.975 773 S CA -0.251 57.925 58.200 -0.040 0.000 0.912 773 S CB -0.708 62.502 63.200 0.017 0.000 0.776 773 S HN 0.457 nan 8.310 nan 0.000 0.526 774 F N 1.570 121.523 119.950 0.005 0.000 3.048 774 F HA -0.257 4.269 4.527 -0.002 0.000 0.287 774 F C 0.250 176.040 175.800 -0.017 0.000 0.796 774 F CA 0.397 58.411 58.000 0.024 0.000 1.111 774 F CB -1.896 37.196 39.000 0.154 0.000 1.320 774 F HN 0.451 nan 8.300 nan 0.000 0.430 775 E N 0.983 121.220 120.200 0.063 0.000 2.250 775 E HA 0.726 5.075 4.350 -0.002 0.000 0.265 775 E C -0.022 176.378 176.600 -0.333 0.000 1.033 775 E CA -0.474 55.897 56.400 -0.048 0.000 0.888 775 E CB 1.308 30.978 29.700 -0.051 0.000 1.151 775 E HN 0.187 nan 8.360 nan 0.000 0.412 776 A N 1.399 123.967 122.820 -0.420 0.000 2.301 776 A HA 0.448 4.767 4.320 -0.002 0.000 0.298 776 A C -0.545 176.661 177.584 -0.630 0.000 1.185 776 A CA -0.606 50.919 52.037 -0.853 0.000 0.830 776 A CB 0.537 19.175 19.000 -0.603 0.000 1.112 776 A HN 0.329 nan 8.150 nan 0.000 0.508 777 V N 3.784 123.128 119.914 -0.950 0.000 2.487 777 V HA 0.353 4.472 4.120 -0.002 0.000 0.298 777 V C -0.773 174.990 176.094 -0.552 0.000 1.028 777 V CA -0.558 61.320 62.300 -0.704 0.000 0.860 777 V CB 1.475 32.756 31.823 -0.904 0.000 0.991 777 V HN 0.793 nan 8.190 nan 0.000 0.427 778 L N 4.345 125.446 121.223 -0.204 0.000 2.280 778 L HA 0.591 4.930 4.340 -0.002 0.000 0.287 778 L C -0.371 176.489 176.870 -0.017 0.000 1.023 778 L CA -0.031 54.774 54.840 -0.059 0.000 0.819 778 L CB 1.184 43.115 42.059 -0.214 0.000 1.212 778 L HN 0.626 nan 8.230 nan 0.000 0.420 779 D N 4.427 124.884 120.400 0.095 0.000 2.380 779 D HA 0.177 4.816 4.640 -0.002 0.000 0.230 779 D C 0.864 177.216 176.300 0.087 0.000 1.154 779 D CA -0.039 54.032 54.000 0.119 0.000 0.859 779 D CB 0.742 41.659 40.800 0.194 0.000 1.045 779 D HN 0.591 nan 8.370 nan 0.000 0.495 780 L N 3.032 124.291 121.223 0.060 0.000 2.650 780 L HA 0.086 4.424 4.340 -0.002 0.000 0.235 780 L C 0.134 177.048 176.870 0.073 0.000 1.149 780 L CA 0.286 55.167 54.840 0.068 0.000 0.887 780 L CB -0.392 41.704 42.059 0.061 0.000 1.021 780 L HN 0.211 nan 8.230 nan 0.000 0.441 781 N N 0.861 119.601 118.700 0.067 0.000 2.531 781 N HA 0.261 5.000 4.740 -0.002 0.000 0.268 781 N C 0.013 175.557 175.510 0.056 0.000 1.023 781 N CA -0.236 52.847 53.050 0.054 0.000 0.896 781 N CB 1.874 40.387 38.487 0.043 0.000 1.233 781 N HN -0.102 nan 8.380 nan 0.000 0.512 782 A N 1.459 124.312 122.820 0.055 0.000 3.078 782 A HA 0.206 4.525 4.320 -0.002 0.000 0.258 782 A C 0.956 178.561 177.584 0.034 0.000 1.971 782 A CA -0.206 51.864 52.037 0.056 0.000 1.524 782 A CB -1.187 17.845 19.000 0.053 0.000 0.871 782 A HN 0.701 nan 8.150 nan 0.000 0.609 783 A N 1.818 124.655 122.820 0.028 0.000 2.515 783 A HA 0.412 4.731 4.320 -0.002 0.000 0.263 783 A C -0.622 176.953 177.584 -0.016 0.000 1.096 783 A CA -0.790 51.249 52.037 0.005 0.000 0.769 783 A CB -0.059 18.942 19.000 0.001 0.000 1.040 783 A HN 0.455 nan 8.150 nan 0.000 0.505 784 P HA -0.288 nan 4.420 nan 0.000 0.219 784 P C 1.431 178.701 177.300 -0.050 0.000 1.153 784 P CA 1.975 65.063 63.100 -0.020 0.000 0.865 784 P CB 0.255 31.947 31.700 -0.012 0.000 0.788 785 E N -0.138 120.020 120.200 -0.070 0.000 2.085 785 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 785 E C 1.759 178.228 176.600 -0.218 0.000 0.994 785 E CA 2.256 58.590 56.400 -0.111 0.000 0.801 785 E CB -0.685 28.955 29.700 -0.099 0.000 0.743 785 E HN 0.262 nan 8.360 nan 0.000 0.453 786 S N -0.142 115.398 115.700 -0.268 0.000 2.395 786 S HA -0.058 4.410 4.470 -0.002 0.000 0.225 786 S C 2.130 176.604 174.600 -0.211 0.000 1.027 786 S CA 0.830 58.730 58.200 -0.499 0.000 0.965 786 S CB -0.331 62.635 63.200 -0.390 0.000 0.812 786 S HN 0.167 nan 8.310 nan 0.000 0.482 787 V N 2.793 122.671 119.914 -0.060 0.000 2.490 787 V HA -0.159 3.959 4.120 -0.002 0.000 0.250 787 V C 2.142 178.241 176.094 0.009 0.000 1.061 787 V CA 2.028 64.341 62.300 0.021 0.000 1.064 787 V CB -0.923 30.922 31.823 0.036 0.000 0.670 787 V HN 0.352 nan 8.190 nan 0.000 0.461 788 D N -0.033 120.347 120.400 -0.034 0.000 2.117 788 D HA -0.097 4.541 4.640 -0.002 0.000 0.198 788 D C 2.059 178.350 176.300 -0.014 0.000 0.982 788 D CA 1.054 55.041 54.000 -0.022 0.000 0.828 788 D CB -0.167 40.611 40.800 -0.036 0.000 0.967 788 D HN 0.313 nan 8.370 nan 0.000 0.464 789 L N 0.104 121.281 121.223 -0.077 0.000 2.141 789 L HA -0.066 4.273 4.340 -0.002 0.000 0.209 789 L C 2.280 179.213 176.870 0.105 0.000 1.094 789 L CA 0.851 55.672 54.840 -0.031 0.000 0.763 789 L CB -0.184 41.730 42.059 -0.241 0.000 0.908 789 L HN -0.000 nan 8.230 nan 0.000 0.437 790 A N -0.798 122.090 122.820 0.114 0.000 1.898 790 A HA -0.183 4.136 4.320 -0.002 0.000 0.216 790 A C 2.251 179.938 177.584 0.171 0.000 1.181 790 A CA 1.251 53.410 52.037 0.203 0.000 0.620 790 A CB -0.355 18.777 19.000 0.221 0.000 0.819 790 A HN 0.275 nan 8.150 nan 0.000 0.442 791 E N 0.113 120.382 120.200 0.114 0.000 2.110 791 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 791 E C 2.308 178.950 176.600 0.069 0.000 0.988 791 E CA 1.201 57.653 56.400 0.086 0.000 0.804 791 E CB -0.391 29.338 29.700 0.048 0.000 0.745 791 E HN 0.519 nan 8.360 nan 0.000 0.458 792 A N 1.115 123.981 122.820 0.075 0.000 1.877 792 A HA -0.200 4.119 4.320 -0.002 0.000 0.216 792 A C 2.040 179.666 177.584 0.069 0.000 1.186 792 A CA 1.606 53.676 52.037 0.055 0.000 0.620 792 A CB -0.575 18.486 19.000 0.102 0.000 0.822 792 A HN 0.236 nan 8.150 nan 0.000 0.443 793 E N -0.964 119.352 120.200 0.193 0.000 2.267 793 E HA -0.209 4.140 4.350 -0.002 0.000 0.197 793 E C 2.241 178.937 176.600 0.160 0.000 0.998 793 E CA 0.746 57.306 56.400 0.266 0.000 0.830 793 E CB -0.103 29.824 29.700 0.377 0.000 0.751 793 E HN 0.521 nan 8.360 nan 0.000 0.491 794 R N 0.776 121.353 120.500 0.128 0.000 2.057 794 R HA -0.140 4.198 4.340 -0.002 0.000 0.229 794 R C 2.337 178.673 176.300 0.061 0.000 1.136 794 R CA 1.313 57.480 56.100 0.112 0.000 0.952 794 R CB -0.130 30.239 30.300 0.115 0.000 0.848 794 R HN 0.156 nan 8.270 nan 0.000 0.430 795 L N -1.027 120.200 121.223 0.007 0.000 2.313 795 L HA 0.283 4.622 4.340 -0.002 0.000 0.214 795 L C 2.263 179.099 176.870 -0.057 0.000 1.119 795 L CA 1.531 56.358 54.840 -0.023 0.000 0.809 795 L CB -1.175 40.842 42.059 -0.070 0.000 0.933 795 L HN 0.013 nan 8.230 nan 0.000 0.449 796 A N 0.004 122.747 122.820 -0.128 0.000 2.042 796 A HA -0.275 4.044 4.320 -0.002 0.000 0.222 796 A C 2.423 179.956 177.584 -0.084 0.000 1.167 796 A CA 2.150 54.026 52.037 -0.269 0.000 0.649 796 A CB -0.595 18.081 19.000 -0.541 0.000 0.809 796 A HN 0.673 nan 8.150 nan 0.000 0.457 797 E N -0.867 119.335 120.200 0.004 0.000 2.127 797 E HA -0.121 4.228 4.350 -0.002 0.000 0.191 797 E C 0.983 177.625 176.600 0.070 0.000 0.964 797 E CA 0.704 57.134 56.400 0.049 0.000 0.832 797 E CB -0.005 29.751 29.700 0.093 0.000 0.790 797 E HN 0.505 nan 8.360 nan 0.000 0.465 798 D N 0.929 121.373 120.400 0.073 0.000 2.178 798 D HA -0.116 4.523 4.640 -0.002 0.000 0.202 798 D C 2.129 178.499 176.300 0.117 0.000 0.974 798 D CA 0.576 54.631 54.000 0.091 0.000 0.841 798 D CB -0.105 40.747 40.800 0.086 0.000 0.953 798 D HN 0.230 nan 8.370 nan 0.000 0.478 799 L N 0.336 121.632 121.223 0.121 0.000 2.042 799 L HA -0.159 4.179 4.340 -0.002 0.000 0.210 799 L C 2.606 179.725 176.870 0.416 0.000 1.076 799 L CA 1.204 56.184 54.840 0.233 0.000 0.749 799 L CB -0.259 41.918 42.059 0.196 0.000 0.893 799 L HN -0.067 nan 8.230 nan 0.000 0.432 800 R N -0.126 120.544 120.500 0.285 0.000 2.073 800 R HA -0.151 4.187 4.340 -0.002 0.000 0.234 800 R C 2.344 178.735 176.300 0.152 0.000 1.134 800 R CA 1.350 57.552 56.100 0.169 0.000 0.952 800 R CB -0.454 29.834 30.300 -0.021 0.000 0.850 800 R HN 0.281 nan 8.270 nan 0.000 0.433 801 L N 0.596 121.875 121.223 0.092 0.000 2.042 801 L HA -0.224 4.114 4.340 -0.002 0.000 0.210 801 L C 2.524 179.460 176.870 0.111 0.000 1.076 801 L CA 1.090 55.956 54.840 0.042 0.000 0.749 801 L CB -0.427 41.655 42.059 0.040 0.000 0.893 801 L HN 0.297 nan 8.230 nan 0.000 0.432 802 L N -1.077 120.263 121.223 0.194 0.000 2.012 802 L HA -0.306 4.032 4.340 -0.002 0.000 0.210 802 L C 2.665 179.737 176.870 0.337 0.000 1.073 802 L CA 1.880 56.858 54.840 0.230 0.000 0.748 802 L CB -0.439 41.755 42.059 0.224 0.000 0.891 802 L HN 0.304 nan 8.230 nan 0.000 0.431 803 Y N -0.217 120.296 120.300 0.355 0.000 2.274 803 Y HA -0.212 4.337 4.550 -0.002 0.000 0.290 803 Y C 2.298 178.204 175.900 0.011 0.000 1.145 803 Y CA 1.609 59.777 58.100 0.115 0.000 1.203 803 Y CB -0.306 38.060 38.460 -0.156 0.000 0.984 803 Y HN -0.069 nan 8.280 nan 0.000 0.533 804 V N -0.068 119.800 119.914 -0.076 0.000 2.453 804 V HA -0.221 3.898 4.120 -0.002 0.000 0.247 804 V C 2.568 178.582 176.094 -0.133 0.000 1.048 804 V CA 1.441 63.636 62.300 -0.176 0.000 1.049 804 V CB -1.169 30.594 31.823 -0.100 0.000 0.672 804 V HN 0.541 nan 8.190 nan 0.000 0.457 805 A N -0.258 122.533 122.820 -0.049 0.000 1.877 805 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 805 A C 2.056 179.619 177.584 -0.036 0.000 1.186 805 A CA 1.551 53.576 52.037 -0.020 0.000 0.620 805 A CB -0.512 18.504 19.000 0.026 0.000 0.822 805 A HN 0.392 nan 8.150 nan 0.000 0.443 806 L N -0.238 120.969 121.223 -0.028 0.000 2.141 806 L HA -0.059 4.280 4.340 -0.002 0.000 0.209 806 L C 2.358 179.175 176.870 -0.088 0.000 1.094 806 L CA 2.047 56.869 54.840 -0.030 0.000 0.763 806 L CB -1.529 40.571 42.059 0.069 0.000 0.908 806 L HN 0.311 nan 8.230 nan 0.000 0.437 807 T N -0.649 113.794 114.554 -0.186 0.000 3.163 807 T HA -0.053 4.296 4.350 -0.002 0.000 0.260 807 T C 1.816 176.452 174.700 -0.108 0.000 1.156 807 T CA 0.364 62.334 62.100 -0.217 0.000 1.072 807 T CB -0.056 68.524 68.868 -0.480 0.000 0.937 807 T HN 0.226 nan 8.240 nan 0.000 0.528 808 R N 1.483 121.960 120.500 -0.039 0.000 2.200 808 R HA 0.161 4.500 4.340 -0.002 0.000 0.208 808 R C 1.261 177.615 176.300 0.091 0.000 1.033 808 R CA 0.155 56.291 56.100 0.061 0.000 1.000 808 R CB -0.476 29.923 30.300 0.165 0.000 0.906 808 R HN 0.360 nan 8.270 nan 0.000 0.462 809 S N 0.268 115.993 115.700 0.042 0.000 2.593 809 S HA 0.202 4.670 4.470 -0.002 0.000 0.269 809 S C 1.419 176.003 174.600 -0.026 0.000 1.334 809 S CA -0.629 57.594 58.200 0.038 0.000 1.015 809 S CB 1.790 64.987 63.200 -0.005 0.000 0.912 809 S HN -0.146 nan 8.310 nan 0.000 0.541 810 V N -0.661 119.222 119.914 -0.051 0.000 2.840 810 V HA 0.088 4.207 4.120 -0.002 0.000 0.234 810 V C 1.218 177.132 176.094 -0.300 0.000 1.159 810 V CA 0.528 62.663 62.300 -0.276 0.000 1.194 810 V CB -0.642 30.879 31.823 -0.504 0.000 0.971 810 V HN 1.010 nan 8.190 nan 0.000 0.494 811 W N -0.505 120.763 121.300 -0.053 0.000 2.580 811 W HA 0.339 4.998 4.660 -0.002 0.000 0.287 811 W C 1.297 177.820 176.519 0.007 0.000 1.175 811 W CA 0.645 57.970 57.345 -0.033 0.000 1.409 811 W CB -0.132 29.281 29.460 -0.079 0.000 1.101 811 W HN 0.248 nan 8.180 nan 0.000 0.558 812 H N -0.837 118.259 119.070 0.043 0.000 3.008 812 H HA 0.479 5.033 4.556 -0.002 0.000 0.354 812 H C -1.233 174.060 175.328 -0.058 0.000 1.252 812 H CA -1.167 54.864 56.048 -0.029 0.000 1.117 812 H CB 2.173 31.878 29.762 -0.096 0.000 1.857 812 H HN 0.000 nan 8.280 nan 0.000 0.547 813 C N 3.026 121.673 119.300 -1.087 0.000 3.006 813 C HA 0.660 5.119 4.460 -0.002 0.000 0.359 813 C C -1.444 173.046 174.990 -0.833 0.000 1.103 813 C CA 0.091 58.704 59.018 -0.675 0.000 1.286 813 C CB 0.546 28.100 27.740 -0.309 0.000 1.694 813 C HN 0.836 nan 8.230 nan 0.000 0.511 814 S N 6.529 121.912 115.700 -0.528 0.000 2.571 814 S HA 0.834 5.303 4.470 -0.002 0.000 0.284 814 S C -0.987 173.324 174.600 -0.482 0.000 1.128 814 S CA -0.737 57.231 58.200 -0.386 0.000 0.970 814 S CB 1.485 64.615 63.200 -0.117 0.000 1.039 814 S HN 1.216 nan 8.310 nan 0.000 0.485 815 L N 0.282 121.413 121.223 -0.153 0.000 2.333 815 L HA 0.940 5.279 4.340 -0.002 0.000 0.269 815 L C 0.208 177.193 176.870 0.191 0.000 1.010 815 L CA -0.820 54.012 54.840 -0.013 0.000 0.818 815 L CB 0.500 42.576 42.059 0.027 0.000 1.306 815 L HN 0.916 nan 8.230 nan 0.000 0.430 816 G N 1.057 110.050 108.800 0.321 0.000 2.338 816 G HA2 0.553 4.512 3.960 -0.002 0.000 0.298 816 G HA3 0.553 4.512 3.960 -0.002 0.000 0.298 816 G C -0.626 174.571 174.900 0.495 0.000 1.140 816 G CA -0.320 45.062 45.100 0.469 0.000 0.860 816 G HN 0.472 nan 8.290 nan 0.000 0.470 817 V N 0.775 120.940 119.914 0.419 0.000 2.735 817 V HA 0.901 5.020 4.120 -0.002 0.000 0.310 817 V C 0.199 176.408 176.094 0.192 0.000 1.061 817 V CA -0.768 61.678 62.300 0.242 0.000 0.913 817 V CB 1.380 33.279 31.823 0.125 0.000 1.005 817 V HN 1.222 nan 8.190 nan 0.000 0.428 818 A N 4.200 126.986 122.820 -0.058 0.000 2.572 818 A HA 0.885 5.204 4.320 -0.002 0.000 0.295 818 A C -2.881 174.635 177.584 -0.112 0.000 1.072 818 A CA -1.522 50.479 52.037 -0.061 0.000 0.691 818 A CB 2.170 21.116 19.000 -0.090 0.000 1.291 818 A HN 0.603 nan 8.150 nan 0.000 0.404 819 P HA 0.114 nan 4.420 nan 0.000 0.238 819 P C -0.240 177.048 177.300 -0.021 0.000 1.714 819 P CA 0.119 63.201 63.100 -0.030 0.000 0.908 819 P CB -0.364 31.330 31.700 -0.010 0.000 1.893 820 L N 1.122 122.312 121.223 -0.054 0.000 2.578 820 L HA 0.036 4.375 4.340 -0.002 0.000 0.279 820 L C 0.228 177.154 176.870 0.093 0.000 1.227 820 L CA 0.640 55.471 54.840 -0.014 0.000 0.900 820 L CB 0.478 42.513 42.059 -0.039 0.000 1.144 820 L HN 0.013 nan 8.230 nan 0.000 0.496 821 V N 5.385 125.349 119.914 0.084 0.000 2.888 821 V HA 0.462 4.580 4.120 -0.002 0.000 0.309 821 V C 0.222 176.375 176.094 0.098 0.000 1.114 821 V CA -0.773 61.599 62.300 0.119 0.000 0.940 821 V CB 2.132 33.995 31.823 0.066 0.000 1.021 821 V HN 0.776 nan 8.190 nan 0.000 0.426 822 R N 0.920 121.509 120.500 0.149 0.000 2.470 822 R HA 0.230 4.569 4.340 -0.002 0.000 0.210 822 R C 0.978 177.325 176.300 0.079 0.000 0.873 822 R CA -0.512 55.637 56.100 0.081 0.000 1.015 822 R CB 0.654 31.000 30.300 0.076 0.000 1.348 822 R HN 0.685 nan 8.270 nan 0.000 0.650 823 R N 2.221 122.785 120.500 0.106 0.000 2.537 823 R HA -0.034 4.305 4.340 -0.002 0.000 0.281 823 R C -0.124 176.204 176.300 0.047 0.000 0.988 823 R CA 0.357 56.501 56.100 0.073 0.000 1.077 823 R CB 0.499 30.842 30.300 0.073 0.000 0.932 823 R HN -0.172 nan 8.270 nan 0.000 0.409 824 R N 2.723 123.243 120.500 0.033 0.000 2.541 824 R HA 0.138 4.477 4.340 -0.002 0.000 0.245 824 R C 0.267 176.578 176.300 0.019 0.000 1.154 824 R CA 0.469 56.582 56.100 0.022 0.000 1.179 824 R CB 0.348 30.657 30.300 0.016 0.000 1.189 824 R HN 0.680 nan 8.270 nan 0.000 0.526 825 G N 0.069 108.883 108.800 0.023 0.000 2.349 825 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.281 825 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.281 825 G C -0.567 174.341 174.900 0.014 0.000 1.182 825 G CA -0.507 44.604 45.100 0.017 0.000 0.899 825 G HN 0.131 nan 8.290 nan 0.000 0.455 826 D N 1.947 122.352 120.400 0.009 0.000 2.389 826 D HA -0.021 4.618 4.640 -0.002 0.000 0.278 826 D C 0.968 177.270 176.300 0.004 0.000 1.398 826 D CA 0.370 54.374 54.000 0.007 0.000 1.090 826 D CB 0.376 41.179 40.800 0.005 0.000 1.108 826 D HN 0.397 nan 8.370 nan 0.000 0.532 827 K N 2.441 122.845 120.400 0.005 0.000 4.298 827 K HA -0.247 4.071 4.320 -0.002 0.000 0.272 827 K C -0.294 176.302 176.600 -0.007 0.000 0.757 827 K CA 0.652 56.940 56.287 0.001 0.000 0.665 827 K CB -0.941 31.560 32.500 0.001 0.000 1.918 827 K HN 0.378 nan 8.250 nan 0.000 0.412 828 K N 1.164 121.559 120.400 -0.009 0.000 3.173 828 K HA 0.205 4.524 4.320 -0.002 0.000 0.255 828 K C 0.953 177.535 176.600 -0.029 0.000 1.235 828 K CA 0.272 56.550 56.287 -0.015 0.000 1.250 828 K CB -0.064 32.429 32.500 -0.012 0.000 1.382 828 K HN 0.623 nan 8.250 nan 0.000 0.421 829 G N 1.085 109.865 108.800 -0.033 0.000 2.176 829 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.252 829 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.252 829 G C 0.320 175.179 174.900 -0.069 0.000 1.024 829 G CA 0.320 45.390 45.100 -0.049 0.000 0.755 829 G HN 0.479 nan 8.290 nan 0.000 0.507 830 D N 0.198 120.569 120.400 -0.049 0.000 1.711 830 D HA 0.052 4.691 4.640 -0.002 0.000 0.300 830 D C 1.608 177.868 176.300 -0.067 0.000 1.097 830 D CA 3.040 57.011 54.000 -0.048 0.000 0.964 830 D CB -0.333 40.466 40.800 -0.003 0.000 1.518 830 D HN 1.325 nan 8.370 nan 0.000 0.541 831 T N 1.023 115.567 114.554 -0.016 0.000 3.501 831 T HA -0.166 4.182 4.350 -0.002 0.000 0.411 831 T C -0.669 174.046 174.700 0.026 0.000 0.766 831 T CA 0.706 62.805 62.100 -0.001 0.000 2.129 831 T CB -2.194 66.651 68.868 -0.038 0.000 1.711 831 T HN 0.270 nan 8.240 nan 0.000 0.712 832 D N 0.703 121.171 120.400 0.114 0.000 2.848 832 D HA 0.300 4.939 4.640 -0.002 0.000 0.232 832 D C 1.233 177.611 176.300 0.131 0.000 1.107 832 D CA -0.384 53.773 54.000 0.263 0.000 1.020 832 D CB 0.305 41.222 40.800 0.194 0.000 1.148 832 D HN 0.434 nan 8.370 nan 0.000 0.453 833 V N 0.373 120.366 119.914 0.132 0.000 3.041 833 V HA -0.160 3.959 4.120 -0.002 0.000 0.260 833 V C 1.749 177.820 176.094 -0.038 0.000 1.105 833 V CA 1.225 63.536 62.300 0.019 0.000 1.125 833 V CB -0.906 30.916 31.823 -0.002 0.000 0.730 833 V HN 0.676 nan 8.190 nan 0.000 0.479 834 H N -1.333 117.617 119.070 -0.200 0.000 2.553 834 H HA 0.110 4.665 4.556 -0.002 0.000 0.269 834 H C 1.581 176.753 175.328 -0.260 0.000 1.011 834 H CA 0.268 56.199 56.048 -0.195 0.000 1.150 834 H CB -0.066 29.605 29.762 -0.151 0.000 1.339 834 H HN 0.428 nan 8.280 nan 0.000 0.604 835 Q N 1.189 120.570 119.800 -0.698 0.000 2.198 835 Q HA 0.149 4.488 4.340 -0.002 0.000 0.209 835 Q C -0.156 175.471 176.000 -0.623 0.000 0.848 835 Q CA -0.104 55.218 55.803 -0.803 0.000 0.974 835 Q CB 1.122 29.221 28.738 -1.064 0.000 1.115 835 Q HN 0.521 nan 8.270 nan 0.000 0.494 836 S N -1.567 113.899 115.700 -0.390 0.000 2.607 836 S HA 0.673 5.142 4.470 -0.002 0.000 0.303 836 S C 0.862 175.399 174.600 -0.105 0.000 1.086 836 S CA -0.376 57.747 58.200 -0.129 0.000 0.995 836 S CB 1.853 65.063 63.200 0.016 0.000 1.084 836 S HN 0.123 nan 8.310 nan 0.000 0.507 837 A N 1.480 124.274 122.820 -0.043 0.000 1.845 837 A HA -0.003 4.316 4.320 -0.002 0.000 0.215 837 A C 1.976 179.487 177.584 -0.121 0.000 1.195 837 A CA 1.237 53.231 52.037 -0.071 0.000 0.616 837 A CB -1.058 17.939 19.000 -0.005 0.000 0.832 837 A HN 0.860 nan 8.150 nan 0.000 0.443 838 L N -0.292 120.882 121.223 -0.081 0.000 2.079 838 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 838 L C 2.413 179.211 176.870 -0.120 0.000 1.081 838 L CA 2.174 56.946 54.840 -0.114 0.000 0.752 838 L CB -1.297 40.736 42.059 -0.044 0.000 0.896 838 L HN 0.466 nan 8.230 nan 0.000 0.433 839 G N -0.467 108.278 108.800 -0.091 0.000 2.418 839 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.217 839 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.217 839 G C 1.753 176.589 174.900 -0.107 0.000 1.158 839 G CA 0.652 45.698 45.100 -0.090 0.000 0.771 839 G HN 0.365 nan 8.290 nan 0.000 0.545 840 R N 0.001 120.421 120.500 -0.134 0.000 2.115 840 R HA 0.120 4.459 4.340 -0.002 0.000 0.230 840 R C 2.298 178.501 176.300 -0.161 0.000 1.111 840 R CA 0.722 56.739 56.100 -0.138 0.000 0.976 840 R CB -0.241 29.964 30.300 -0.158 0.000 0.870 840 R HN 0.387 nan 8.270 nan 0.000 0.445 841 L N 0.325 121.420 121.223 -0.213 0.000 2.162 841 L HA -0.068 4.271 4.340 -0.002 0.000 0.205 841 L C 2.327 179.079 176.870 -0.196 0.000 1.086 841 L CA 0.636 55.322 54.840 -0.257 0.000 0.778 841 L CB -0.255 41.555 42.059 -0.415 0.000 0.928 841 L HN 0.251 nan 8.230 nan 0.000 0.446 842 L N -0.533 120.589 121.223 -0.169 0.000 2.072 842 L HA -0.160 4.179 4.340 -0.002 0.000 0.205 842 L C 1.580 178.379 176.870 -0.118 0.000 1.079 842 L CA 1.216 55.972 54.840 -0.139 0.000 0.752 842 L CB -0.196 41.787 42.059 -0.126 0.000 0.906 842 L HN 0.334 nan 8.230 nan 0.000 0.436 843 Q N -0.118 119.620 119.800 -0.103 0.000 2.242 843 Q HA 0.061 4.400 4.340 -0.002 0.000 0.246 843 Q C 0.080 176.034 176.000 -0.078 0.000 0.883 843 Q CA -0.177 55.574 55.803 -0.086 0.000 0.984 843 Q CB 0.425 29.121 28.738 -0.070 0.000 1.096 843 Q HN 0.182 nan 8.270 nan 0.000 0.452 844 K N -0.495 119.850 120.400 -0.091 0.000 2.850 844 K HA -0.360 3.959 4.320 -0.002 0.000 0.254 844 K C 0.891 177.450 176.600 -0.068 0.000 0.991 844 K CA 0.751 56.987 56.287 -0.084 0.000 0.751 844 K CB -0.978 31.480 32.500 -0.070 0.000 1.215 844 K HN 0.713 nan 8.250 nan 0.000 0.473 845 G N 0.127 108.891 108.800 -0.059 0.000 2.659 845 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.202 845 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.202 845 G C -0.342 174.563 174.900 0.008 0.000 1.186 845 G CA -0.038 45.041 45.100 -0.036 0.000 0.783 845 G HN 0.530 nan 8.290 nan 0.000 0.521 846 E N 3.534 123.723 120.200 -0.018 0.000 2.360 846 E HA 0.500 4.849 4.350 -0.002 0.000 0.269 846 E C -2.320 174.236 176.600 -0.074 0.000 1.022 846 E CA -1.443 54.941 56.400 -0.027 0.000 0.887 846 E CB 0.986 30.657 29.700 -0.048 0.000 0.990 846 E HN 0.373 nan 8.360 nan 0.000 0.426 847 P HA -0.049 nan 4.420 nan 0.000 0.269 847 P C -0.668 176.455 177.300 -0.295 0.000 1.215 847 P CA 0.116 62.888 63.100 -0.546 0.000 0.780 847 P CB 0.776 31.921 31.700 -0.925 0.000 0.898 848 Q N 0.372 120.014 119.800 -0.263 0.000 2.605 848 Q HA 0.298 4.637 4.340 -0.002 0.000 0.296 848 Q C -0.385 175.533 176.000 -0.137 0.000 1.056 848 Q CA -0.741 54.964 55.803 -0.163 0.000 0.778 848 Q CB 1.411 30.074 28.738 -0.125 0.000 1.497 848 Q HN 0.471 nan 8.270 nan 0.000 0.443 849 D N -0.153 120.185 120.400 -0.103 0.000 2.371 849 D HA 0.194 4.832 4.640 -0.002 0.000 0.242 849 D C 0.535 176.790 176.300 -0.074 0.000 1.218 849 D CA 0.314 54.266 54.000 -0.079 0.000 0.945 849 D CB 1.328 42.087 40.800 -0.068 0.000 1.137 849 D HN 0.607 nan 8.370 nan 0.000 0.464 850 A N 1.441 124.227 122.820 -0.056 0.000 2.067 850 A HA 0.014 4.333 4.320 -0.002 0.000 0.219 850 A C 1.736 179.284 177.584 -0.060 0.000 1.158 850 A CA 1.794 53.802 52.037 -0.048 0.000 0.661 850 A CB -0.210 18.773 19.000 -0.027 0.000 0.801 850 A HN 0.518 nan 8.150 nan 0.000 0.452 851 A N -1.083 121.700 122.820 -0.062 0.000 2.147 851 A HA 0.394 4.713 4.320 -0.002 0.000 0.211 851 A C 2.098 179.625 177.584 -0.095 0.000 1.160 851 A CA 1.025 53.018 52.037 -0.073 0.000 0.781 851 A CB -0.671 18.297 19.000 -0.053 0.000 0.842 851 A HN 0.605 nan 8.150 nan 0.000 0.475 852 G N -0.378 108.368 108.800 -0.091 0.000 2.534 852 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.217 852 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.217 852 G C 1.404 176.231 174.900 -0.121 0.000 1.128 852 G CA 0.718 45.758 45.100 -0.099 0.000 0.784 852 G HN 0.402 nan 8.290 nan 0.000 0.542 853 L N -0.424 120.723 121.223 -0.127 0.000 1.993 853 L HA 0.066 4.404 4.340 -0.002 0.000 0.206 853 L C 2.913 179.656 176.870 -0.212 0.000 1.074 853 L CA 1.171 55.923 54.840 -0.146 0.000 0.746 853 L CB -0.361 41.624 42.059 -0.124 0.000 0.896 853 L HN 0.200 nan 8.230 nan 0.000 0.435 854 R N -0.445 119.908 120.500 -0.245 0.000 2.165 854 R HA -0.266 4.073 4.340 -0.002 0.000 0.254 854 R C 2.138 178.198 176.300 -0.400 0.000 1.153 854 R CA 2.531 58.390 56.100 -0.403 0.000 0.971 854 R CB -0.434 29.671 30.300 -0.325 0.000 0.878 854 R HN 0.594 nan 8.270 nan 0.000 0.449 855 T N -2.971 111.436 114.554 -0.245 0.000 3.035 855 T HA -0.058 4.291 4.350 -0.002 0.000 0.268 855 T C 1.988 176.583 174.700 -0.175 0.000 1.109 855 T CA 1.104 63.090 62.100 -0.190 0.000 1.119 855 T CB -0.333 68.462 68.868 -0.121 0.000 0.900 855 T HN 0.381 nan 8.240 nan 0.000 0.503 856 C N 0.275 119.466 119.300 -0.182 0.000 2.485 856 C HA 0.391 4.850 4.460 -0.002 0.000 0.278 856 C C 2.616 177.506 174.990 -0.167 0.000 1.356 856 C CA -0.374 58.555 59.018 -0.149 0.000 1.747 856 C CB -1.116 26.544 27.740 -0.134 0.000 2.001 856 C HN 0.561 nan 8.230 nan 0.000 0.501 857 I N 1.363 121.787 120.570 -0.243 0.000 2.163 857 I HA -0.202 3.966 4.170 -0.002 0.000 0.240 857 I C 2.582 178.555 176.117 -0.239 0.000 1.081 857 I CA 1.630 62.770 61.300 -0.266 0.000 1.353 857 I CB -0.567 37.178 38.000 -0.424 0.000 1.054 857 I HN 0.395 nan 8.210 nan 0.000 0.407 858 E N 0.932 120.926 120.200 -0.343 0.000 2.130 858 E HA -0.274 4.075 4.350 -0.002 0.000 0.196 858 E C 2.307 178.882 176.600 -0.041 0.000 0.998 858 E CA 1.311 57.630 56.400 -0.135 0.000 0.806 858 E CB -0.257 29.376 29.700 -0.111 0.000 0.738 858 E HN 0.545 nan 8.360 nan 0.000 0.459 859 A N 1.984 124.757 122.820 -0.079 0.000 1.892 859 A HA -0.150 4.169 4.320 -0.002 0.000 0.218 859 A C 1.637 179.204 177.584 -0.028 0.000 1.188 859 A CA 1.120 53.128 52.037 -0.049 0.000 0.631 859 A CB -0.819 18.142 19.000 -0.066 0.000 0.822 859 A HN 0.340 nan 8.150 nan 0.000 0.447 860 L N -4.530 116.672 121.223 -0.036 0.000 2.277 860 L HA 0.671 5.009 4.340 -0.002 0.000 0.284 860 L C -0.435 176.440 176.870 0.009 0.000 1.028 860 L CA -0.731 54.099 54.840 -0.017 0.000 0.835 860 L CB 1.143 43.181 42.059 -0.034 0.000 1.215 860 L HN 0.068 nan 8.230 nan 0.000 0.425 861 C N 1.882 121.201 119.300 0.031 0.000 3.861 861 C HA 0.309 4.768 4.460 -0.002 0.000 0.356 861 C C -0.375 174.653 174.990 0.063 0.000 2.866 861 C CA -0.243 58.814 59.018 0.065 0.000 1.551 861 C CB -0.479 27.332 27.740 0.119 0.000 2.907 861 C HN 0.916 nan 8.230 nan 0.000 0.387 862 D N 0.967 121.393 120.400 0.044 0.000 2.269 862 D HA 0.167 4.805 4.640 -0.002 0.000 0.244 862 D C -0.352 175.971 176.300 0.038 0.000 0.992 862 D CA 0.074 54.098 54.000 0.040 0.000 0.894 862 D CB 1.434 42.253 40.800 0.032 0.000 1.248 862 D HN 0.274 nan 8.370 nan 0.000 0.468 863 D N 1.426 121.847 120.400 0.036 0.000 8.176 863 D HA -0.227 4.411 4.640 -0.002 0.000 0.129 863 D C -0.194 176.135 176.300 0.049 0.000 1.240 863 D CA 1.348 55.373 54.000 0.042 0.000 0.870 863 D CB 0.119 40.941 40.800 0.037 0.000 1.709 863 D HN 0.380 nan 8.370 nan 0.000 0.979 864 D N 1.290 121.726 120.400 0.060 0.000 1.944 864 D HA -0.056 4.583 4.640 -0.002 0.000 0.311 864 D C 0.062 176.396 176.300 0.057 0.000 0.368 864 D CA 0.056 54.092 54.000 0.061 0.000 0.966 864 D CB -0.667 40.162 40.800 0.048 0.000 1.535 864 D HN 0.391 nan 8.370 nan 0.000 0.762 865 I N 1.492 122.090 120.570 0.048 0.000 2.433 865 I HA 0.710 4.879 4.170 -0.002 0.000 0.292 865 I C -0.363 175.791 176.117 0.062 0.000 1.001 865 I CA -0.495 60.832 61.300 0.045 0.000 1.119 865 I CB 1.932 39.951 38.000 0.032 0.000 1.289 865 I HN 0.215 nan 8.210 nan 0.000 0.438 866 A N 6.953 129.811 122.820 0.063 0.000 2.609 866 A HA 0.835 5.153 4.320 -0.002 0.000 0.291 866 A C -1.967 175.654 177.584 0.061 0.000 1.096 866 A CA -0.574 51.498 52.037 0.059 0.000 0.684 866 A CB 1.938 20.923 19.000 -0.024 0.000 1.282 866 A HN 0.810 nan 8.150 nan 0.000 0.412 867 W N 0.382 121.585 121.300 -0.162 0.000 3.029 867 W HA 0.818 5.476 4.660 -0.002 0.000 0.339 867 W C -1.452 174.891 176.519 -0.294 0.000 1.198 867 W CA -0.653 56.549 57.345 -0.239 0.000 1.148 867 W CB 1.101 30.473 29.460 -0.147 0.000 1.451 867 W HN 0.817 nan 8.180 nan 0.000 0.564 868 Q N 0.766 120.263 119.800 -0.506 0.000 2.565 868 Q HA 0.368 4.707 4.340 -0.002 0.000 0.294 868 Q C -0.504 175.417 176.000 -0.133 0.000 1.005 868 Q CA -0.643 54.742 55.803 -0.697 0.000 0.771 868 Q CB 3.211 31.423 28.738 -0.877 0.000 1.486 868 Q HN 0.544 nan 8.270 nan 0.000 0.422 869 T N -2.238 112.305 114.554 -0.019 0.000 2.928 869 T HA 0.600 4.949 4.350 -0.002 0.000 0.284 869 T C 0.224 175.114 174.700 0.317 0.000 1.008 869 T CA -0.440 61.815 62.100 0.260 0.000 1.057 869 T CB 1.170 70.188 68.868 0.250 0.000 1.018 869 T HN 0.641 nan 8.240 nan 0.000 0.493 870 A N 3.290 126.332 122.820 0.371 0.000 2.888 870 A HA 0.088 4.407 4.320 -0.002 0.000 0.290 870 A C 0.792 178.554 177.584 0.297 0.000 1.736 870 A CA -0.048 52.227 52.037 0.397 0.000 1.244 870 A CB -0.839 18.335 19.000 0.291 0.000 0.973 870 A HN 0.692 nan 8.150 nan 0.000 0.595 871 Q N 2.339 122.362 119.800 0.371 0.000 2.402 871 Q HA 0.145 4.484 4.340 -0.002 0.000 0.238 871 Q C 0.889 176.965 176.000 0.126 0.000 1.126 871 Q CA 0.309 56.250 55.803 0.231 0.000 0.904 871 Q CB 0.255 29.148 28.738 0.259 0.000 1.357 871 Q HN 0.854 nan 8.270 nan 0.000 0.491 872 T N -0.672 113.927 114.554 0.075 0.000 2.663 872 T HA 0.513 4.862 4.350 -0.002 0.000 0.325 872 T C 0.624 175.319 174.700 -0.007 0.000 1.059 872 T CA -0.110 61.996 62.100 0.011 0.000 1.039 872 T CB 0.904 69.780 68.868 0.014 0.000 0.996 872 T HN 0.552 nan 8.240 nan 0.000 0.539 873 G N -0.760 108.017 108.800 -0.038 0.000 2.576 873 G HA2 0.505 4.463 3.960 -0.002 0.000 0.290 873 G HA3 0.505 4.463 3.960 -0.002 0.000 0.290 873 G C -2.200 172.674 174.900 -0.043 0.000 1.442 873 G CA -0.697 44.383 45.100 -0.034 0.000 0.792 873 G HN 0.908 nan 8.290 nan 0.000 0.491 874 D N -1.347 119.037 120.400 -0.027 0.000 2.654 874 D HA 0.626 5.265 4.640 -0.002 0.000 0.231 874 D C -0.874 175.420 176.300 -0.010 0.000 1.239 874 D CA -0.324 53.662 54.000 -0.024 0.000 0.790 874 D CB 2.003 42.793 40.800 -0.016 0.000 1.480 874 D HN 0.558 nan 8.370 nan 0.000 0.442 875 N N 1.667 120.364 118.700 -0.005 0.000 4.143 875 N HA -0.075 4.664 4.740 -0.002 0.000 0.110 875 N C -0.136 175.386 175.510 0.019 0.000 1.071 875 N CA -0.029 53.028 53.050 0.011 0.000 2.216 875 N CB -0.240 38.258 38.487 0.019 0.000 1.546 875 N HN 0.413 nan 8.380 nan 0.000 0.783 876 Q N -0.277 119.533 119.800 0.016 0.000 2.421 876 Q HA -0.124 4.215 4.340 -0.002 0.000 0.215 876 Q C -1.492 174.543 176.000 0.059 0.000 0.994 876 Q CA 1.221 57.039 55.803 0.025 0.000 0.909 876 Q CB -0.307 28.442 28.738 0.019 0.000 0.920 876 Q HN 0.503 nan 8.270 nan 0.000 0.451 877 P HA -0.064 nan 4.420 nan 0.000 0.278 877 P C -1.082 176.353 177.300 0.226 0.000 1.258 877 P CA -0.114 63.056 63.100 0.117 0.000 0.811 877 P CB 0.238 31.986 31.700 0.081 0.000 1.063 878 W N 1.942 123.243 121.300 0.002 0.000 0.923 878 W HA 0.186 4.845 4.660 -0.002 0.000 0.297 878 W C -0.680 175.848 176.519 0.015 0.000 0.847 878 W CA -0.650 56.701 57.345 0.010 0.000 1.867 878 W CB 0.361 29.824 29.460 0.005 0.000 1.493 878 W HN 0.319 nan 8.180 nan 0.000 0.494 879 Q N 2.542 122.423 119.800 0.134 0.000 1.978 879 Q HA -0.107 4.232 4.340 -0.002 0.000 0.138 879 Q C -0.094 175.784 176.000 -0.205 0.000 0.923 879 Q CA 0.616 56.398 55.803 -0.034 0.000 1.024 879 Q CB -0.215 28.541 28.738 0.030 0.000 1.469 879 Q HN 0.162 nan 8.270 nan 0.000 0.369 880 V N 1.734 121.366 119.914 -0.471 0.000 2.604 880 V HA 0.381 4.500 4.120 -0.002 0.000 0.305 880 V C -0.341 175.532 176.094 -0.369 0.000 1.043 880 V CA -0.786 61.176 62.300 -0.563 0.000 0.888 880 V CB 2.024 33.164 31.823 -1.139 0.000 0.995 880 V HN 0.605 nan 8.190 nan 0.000 0.429 881 N N 2.567 121.121 118.700 -0.243 0.000 2.725 881 N HA 0.563 5.302 4.740 -0.002 0.000 0.312 881 N C -1.384 174.040 175.510 -0.143 0.000 1.295 881 N CA -0.262 52.690 53.050 -0.163 0.000 0.914 881 N CB 1.857 40.279 38.487 -0.108 0.000 1.177 881 N HN 0.927 nan 8.380 nan 0.000 0.601 882 D N -1.763 118.577 120.400 -0.100 0.000 2.798 882 D HA 0.715 5.354 4.640 -0.002 0.000 0.308 882 D C -1.254 175.011 176.300 -0.058 0.000 1.187 882 D CA -0.596 53.356 54.000 -0.080 0.000 1.033 882 D CB 1.241 41.996 40.800 -0.075 0.000 1.445 882 D HN 0.194 nan 8.370 nan 0.000 0.550 883 V N -1.233 118.652 119.914 -0.048 0.000 3.174 883 V HA 0.694 4.813 4.120 -0.002 0.000 0.280 883 V C -1.465 174.609 176.094 -0.034 0.000 1.554 883 V CA -0.730 61.548 62.300 -0.036 0.000 1.016 883 V CB 1.471 33.276 31.823 -0.031 0.000 1.197 883 V HN 0.915 nan 8.190 nan 0.000 0.453 884 S N 1.568 117.251 115.700 -0.027 0.000 2.570 884 S HA 0.724 5.193 4.470 -0.002 0.000 0.286 884 S C -0.927 173.662 174.600 -0.020 0.000 1.143 884 S CA 0.253 58.438 58.200 -0.025 0.000 0.921 884 S CB 1.985 65.168 63.200 -0.027 0.000 1.108 884 S HN 1.435 nan 8.310 nan 0.000 0.456 885 T N 2.070 116.614 114.554 -0.017 0.000 3.141 885 T HA 0.627 4.976 4.350 -0.002 0.000 0.377 885 T C 0.053 174.746 174.700 -0.013 0.000 1.258 885 T CA -0.267 61.824 62.100 -0.014 0.000 1.263 885 T CB 0.924 69.785 68.868 -0.012 0.000 1.066 885 T HN 1.076 nan 8.240 nan 0.000 0.546 886 A N 2.921 125.733 122.820 -0.013 0.000 2.981 886 A HA 0.339 4.658 4.320 -0.002 0.000 0.280 886 A C 0.662 178.241 177.584 -0.009 0.000 1.797 886 A CA -0.418 51.612 52.037 -0.011 0.000 1.456 886 A CB -0.245 18.748 19.000 -0.012 0.000 1.057 886 A HN 0.636 nan 8.150 nan 0.000 0.602 887 E N 2.351 122.546 120.200 -0.008 0.000 1.964 887 E HA 0.354 4.703 4.350 -0.002 0.000 0.264 887 E C -0.491 176.105 176.600 -0.006 0.000 1.120 887 E CA 0.263 56.659 56.400 -0.007 0.000 1.061 887 E CB -0.030 29.666 29.700 -0.006 0.000 1.190 887 E HN 0.660 nan 8.360 nan 0.000 0.459 888 L N 1.345 122.565 121.223 -0.006 0.000 2.279 888 L HA 0.564 4.903 4.340 -0.002 0.000 0.262 888 L C 0.219 177.086 176.870 -0.005 0.000 1.019 888 L CA -1.063 53.773 54.840 -0.006 0.000 0.823 888 L CB 1.689 43.743 42.059 -0.007 0.000 1.358 888 L HN 0.243 nan 8.230 nan 0.000 0.432 889 N N -0.635 118.063 118.700 -0.005 0.000 3.322 889 N HA 0.715 5.454 4.740 -0.002 0.000 0.233 889 N C -1.694 173.813 175.510 -0.004 0.000 1.399 889 N CA -1.115 51.933 53.050 -0.004 0.000 0.894 889 N CB 1.793 40.278 38.487 -0.003 0.000 1.440 889 N HN 0.679 nan 8.380 nan 0.000 0.503 890 A N 0.531 123.349 122.820 -0.004 0.000 2.355 890 A HA 0.478 4.797 4.320 -0.002 0.000 0.317 890 A C -0.418 177.165 177.584 -0.003 0.000 1.094 890 A CA -0.709 51.325 52.037 -0.004 0.000 0.764 890 A CB 1.232 20.229 19.000 -0.004 0.000 1.230 890 A HN 0.527 nan 8.150 nan 0.000 0.448 891 K N 1.819 122.218 120.400 -0.003 0.000 2.491 891 K HA 0.118 4.437 4.320 -0.002 0.000 0.279 891 K C 0.143 176.743 176.600 -0.001 0.000 1.026 891 K CA 0.801 57.087 56.287 -0.002 0.000 1.070 891 K CB 0.104 32.603 32.500 -0.002 0.000 0.887 891 K HN 0.866 nan 8.250 nan 0.000 0.481 892 T N 1.752 116.306 114.554 -0.000 0.000 2.855 892 T HA 0.427 4.776 4.350 -0.002 0.000 0.281 892 T C -0.078 174.623 174.700 0.002 0.000 1.007 892 T CA -1.251 60.850 62.100 0.001 0.000 1.009 892 T CB 0.992 69.861 68.868 0.001 0.000 0.983 892 T HN 0.261 nan 8.240 nan 0.000 0.455 893 L N 1.314 122.538 121.223 0.002 0.000 2.334 893 L HA 0.554 4.893 4.340 -0.002 0.000 0.277 893 L C 0.595 177.468 176.870 0.005 0.000 1.075 893 L CA -0.630 54.212 54.840 0.003 0.000 0.804 893 L CB 0.134 42.195 42.059 0.004 0.000 1.174 893 L HN 0.734 nan 8.230 nan 0.000 0.438 894 Q N 1.293 121.096 119.800 0.005 0.000 2.198 894 Q HA 0.221 4.560 4.340 -0.002 0.000 0.209 894 Q C 0.302 176.307 176.000 0.007 0.000 0.848 894 Q CA -0.024 55.783 55.803 0.006 0.000 0.974 894 Q CB 0.814 29.555 28.738 0.005 0.000 1.115 894 Q HN 0.770 nan 8.270 nan 0.000 0.494 895 R N 0.666 121.171 120.500 0.008 0.000 2.541 895 R HA 0.440 4.779 4.340 -0.002 0.000 0.263 895 R C -0.592 175.716 176.300 0.012 0.000 1.112 895 R CA -0.349 55.757 56.100 0.010 0.000 1.170 895 R CB 0.523 30.828 30.300 0.009 0.000 1.167 895 R HN -0.002 nan 8.270 nan 0.000 0.582 896 L N -1.498 119.734 121.223 0.016 0.000 2.415 896 L HA 0.610 4.948 4.340 -0.002 0.000 0.256 896 L C -2.085 174.799 176.870 0.023 0.000 1.010 896 L CA -1.461 53.390 54.840 0.018 0.000 0.826 896 L CB 0.563 42.633 42.059 0.018 0.000 1.405 896 L HN 0.520 nan 8.230 nan 0.000 0.410 897 P HA 0.069 nan 4.420 nan 0.000 0.212 897 P C 1.141 178.465 177.300 0.040 0.000 1.178 897 P CA 2.110 65.230 63.100 0.032 0.000 0.915 897 P CB -0.299 31.420 31.700 0.031 0.000 0.788 898 G N -0.513 108.310 108.800 0.038 0.000 3.181 898 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.322 898 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.322 898 G C -0.095 174.838 174.900 0.056 0.000 1.246 898 G CA 0.752 45.879 45.100 0.044 0.000 0.989 898 G HN 0.406 nan 8.290 nan 0.000 0.607 899 D N 1.735 122.176 120.400 0.069 0.000 2.340 899 D HA 0.539 5.177 4.640 -0.002 0.000 0.240 899 D C -0.460 175.904 176.300 0.107 0.000 1.001 899 D CA -0.192 53.862 54.000 0.089 0.000 0.888 899 D CB 1.576 42.439 40.800 0.105 0.000 1.310 899 D HN 0.623 nan 8.370 nan 0.000 0.474 900 N N 0.510 119.282 118.700 0.121 0.000 2.346 900 N HA 0.150 4.889 4.740 -0.002 0.000 0.289 900 N C -1.163 174.461 175.510 0.189 0.000 1.027 900 N CA -0.870 52.266 53.050 0.143 0.000 0.864 900 N CB 1.631 40.178 38.487 0.099 0.000 1.370 900 N HN 0.411 nan 8.380 nan 0.000 0.481 901 W N 4.563 125.885 121.300 0.037 0.000 2.433 901 W HA 0.574 5.233 4.660 -0.002 0.000 0.315 901 W C -1.193 175.345 176.519 0.033 0.000 1.087 901 W CA -0.416 56.951 57.345 0.037 0.000 1.205 901 W CB 0.879 30.359 29.460 0.033 0.000 1.288 901 W HN 0.637 nan 8.180 nan 0.000 0.504 902 R N 2.892 123.076 120.500 -0.526 0.000 2.795 902 R HA 0.576 4.915 4.340 -0.002 0.000 0.268 902 R C -1.521 174.484 176.300 -0.492 0.000 1.041 902 R CA -1.118 54.787 56.100 -0.324 0.000 0.927 902 R CB 2.096 32.320 30.300 -0.126 0.000 1.235 902 R HN 0.193 nan 8.270 nan 0.000 0.463 903 V N 1.762 121.553 119.914 -0.206 0.000 2.376 903 V HA 0.373 4.492 4.120 -0.002 0.000 0.287 903 V C -0.204 175.825 176.094 -0.108 0.000 1.015 903 V CA -0.431 61.781 62.300 -0.148 0.000 0.834 903 V CB 1.380 33.211 31.823 0.014 0.000 1.001 903 V HN 0.906 nan 8.190 nan 0.000 0.428 904 T N 1.223 115.694 114.554 -0.139 0.000 2.841 904 T HA 0.707 5.056 4.350 -0.002 0.000 0.276 904 T C 0.231 174.880 174.700 -0.086 0.000 1.003 904 T CA -0.272 61.764 62.100 -0.107 0.000 0.995 904 T CB 1.839 70.623 68.868 -0.140 0.000 1.260 904 T HN 0.721 nan 8.240 nan 0.000 0.581 905 S N -0.866 114.810 115.700 -0.040 0.000 2.565 905 S HA 0.205 4.673 4.470 -0.002 0.000 0.207 905 S C -0.339 174.373 174.600 0.188 0.000 0.769 905 S CA -0.654 57.571 58.200 0.042 0.000 0.945 905 S CB -1.237 61.968 63.200 0.008 0.000 1.653 905 S HN 1.229 nan 8.310 nan 0.000 0.509 906 Y N 1.336 121.632 120.300 -0.006 0.000 3.081 906 Y HA -0.262 4.287 4.550 -0.002 0.000 0.167 906 Y C 0.443 176.379 175.900 0.060 0.000 1.809 906 Y CA 0.772 58.893 58.100 0.034 0.000 1.121 906 Y CB -1.265 37.249 38.460 0.090 0.000 1.518 906 Y HN 1.078 nan 8.280 nan 0.000 0.409 907 S N -1.393 114.185 115.700 -0.204 0.000 2.475 907 S HA 0.217 4.686 4.470 -0.002 0.000 0.270 907 S C 1.501 176.021 174.600 -0.133 0.000 1.026 907 S CA 0.192 58.291 58.200 -0.168 0.000 1.437 907 S CB -0.053 63.104 63.200 -0.070 0.000 1.215 907 S HN 0.916 nan 8.310 nan 0.000 0.648 908 G N 2.621 111.331 108.800 -0.151 0.000 2.432 908 G HA2 0.026 3.985 3.960 -0.002 0.000 0.219 908 G HA3 0.026 3.985 3.960 -0.002 0.000 0.219 908 G C 1.168 176.068 174.900 0.001 0.000 1.135 908 G CA 1.126 46.132 45.100 -0.156 0.000 0.767 908 G HN 0.374 nan 8.290 nan 0.000 0.550 909 L N 0.398 121.581 121.223 -0.066 0.000 2.040 909 L HA 0.214 4.552 4.340 -0.002 0.000 0.208 909 L C 0.988 177.786 176.870 -0.119 0.000 1.186 909 L CA 0.779 55.599 54.840 -0.032 0.000 1.017 909 L CB -1.485 40.526 42.059 -0.080 0.000 1.011 909 L HN 0.285 nan 8.230 nan 0.000 0.561 910 Q N 2.366 122.015 119.800 -0.250 0.000 3.178 910 Q HA -0.160 4.179 4.340 -0.002 0.000 0.340 910 Q C -0.147 175.676 176.000 -0.294 0.000 1.183 910 Q CA 0.086 55.731 55.803 -0.263 0.000 1.188 910 Q CB -0.269 28.300 28.738 -0.281 0.000 1.043 910 Q HN 0.302 nan 8.270 nan 0.000 0.438 911 Q N 1.972 121.638 119.800 -0.224 0.000 2.450 911 Q HA -0.053 4.286 4.340 -0.002 0.000 0.294 911 Q C 0.735 176.563 176.000 -0.286 0.000 1.129 911 Q CA 0.573 56.263 55.803 -0.189 0.000 0.970 911 Q CB 0.440 29.105 28.738 -0.122 0.000 1.294 911 Q HN 0.423 nan 8.270 nan 0.000 0.453 912 R N -0.320 120.081 120.500 -0.165 0.000 3.213 912 R HA 0.065 4.404 4.340 -0.002 0.000 0.284 912 R C 1.223 177.465 176.300 -0.098 0.000 1.096 912 R CA 1.065 57.092 56.100 -0.122 0.000 1.168 912 R CB -0.661 29.615 30.300 -0.039 0.000 1.133 912 R HN 0.958 nan 8.270 nan 0.000 0.540 913 G N -1.247 107.565 108.800 0.021 0.000 2.391 913 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.204 913 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.204 913 G C 0.469 175.493 174.900 0.206 0.000 1.012 913 G CA 0.205 45.361 45.100 0.094 0.000 0.651 913 G HN 0.563 nan 8.290 nan 0.000 0.494 914 H N 1.799 120.864 119.070 -0.008 0.000 2.553 914 H HA 0.381 4.936 4.556 -0.002 0.000 0.269 914 H C 1.868 177.192 175.328 -0.007 0.000 1.011 914 H CA 0.081 56.124 56.048 -0.009 0.000 1.150 914 H CB -0.515 29.237 29.762 -0.015 0.000 1.339 914 H HN 0.583 nan 8.280 nan 0.000 0.604 915 G N 0.781 109.649 108.800 0.112 0.000 2.313 915 G HA2 0.276 4.235 3.960 -0.002 0.000 0.250 915 G HA3 0.276 4.235 3.960 -0.002 0.000 0.250 915 G C 0.748 175.676 174.900 0.047 0.000 1.281 915 G CA 0.054 45.191 45.100 0.062 0.000 0.917 915 G HN 0.562 nan 8.290 nan 0.000 0.501 916 I N -0.317 120.275 120.570 0.037 0.000 4.242 916 I HA -0.383 3.785 4.170 -0.002 0.000 0.173 916 I C 2.104 178.227 176.117 0.009 0.000 1.359 916 I CA 0.947 62.260 61.300 0.021 0.000 1.270 916 I CB -1.718 36.292 38.000 0.016 0.000 1.939 916 I HN 0.566 nan 8.210 nan 0.000 0.247 917 A N 0.462 123.289 122.820 0.011 0.000 1.855 917 A HA -0.147 4.171 4.320 -0.002 0.000 0.213 917 A C 2.082 179.638 177.584 -0.047 0.000 1.195 917 A CA 1.976 53.993 52.037 -0.034 0.000 0.610 917 A CB -0.396 18.556 19.000 -0.080 0.000 0.837 917 A HN 0.497 nan 8.150 nan 0.000 0.444 918 Q N -0.153 119.635 119.800 -0.021 0.000 2.437 918 Q HA -0.105 4.234 4.340 -0.002 0.000 0.210 918 Q C 1.336 177.333 176.000 -0.005 0.000 0.972 918 Q CA 1.347 57.139 55.803 -0.018 0.000 0.903 918 Q CB -0.135 28.618 28.738 0.025 0.000 0.967 918 Q HN 0.664 nan 8.270 nan 0.000 0.486 919 D N -1.028 119.374 120.400 0.003 0.000 2.149 919 D HA -0.030 4.608 4.640 -0.002 0.000 0.206 919 D C 1.551 177.851 176.300 -0.000 0.000 0.967 919 D CA 0.683 54.690 54.000 0.010 0.000 0.848 919 D CB 0.250 41.060 40.800 0.016 0.000 0.998 919 D HN 0.295 nan 8.370 nan 0.000 0.474 920 L N -0.214 121.003 121.223 -0.011 0.000 2.109 920 L HA 0.002 4.341 4.340 -0.002 0.000 0.207 920 L C 0.670 177.524 176.870 -0.027 0.000 1.086 920 L CA 0.731 55.561 54.840 -0.015 0.000 0.760 920 L CB 0.153 42.202 42.059 -0.017 0.000 0.910 920 L HN -0.022 nan 8.230 nan 0.000 0.437 921 M N -0.889 118.684 119.600 -0.045 0.000 2.035 921 M HA 0.267 4.746 4.480 -0.002 0.000 0.286 921 M C -2.043 174.200 176.300 -0.096 0.000 0.907 921 M CA -1.764 53.495 55.300 -0.068 0.000 0.935 921 M CB 1.240 33.793 32.600 -0.078 0.000 1.557 921 M HN -0.279 nan 8.290 nan 0.000 0.426 922 P HA -0.012 nan 4.420 nan 0.000 0.220 922 P C 0.306 177.413 177.300 -0.323 0.000 1.148 922 P CA 1.240 64.266 63.100 -0.124 0.000 0.803 922 P CB 0.302 31.982 31.700 -0.034 0.000 0.782 923 R N -1.333 118.959 120.500 -0.346 0.000 2.700 923 R HA 0.283 4.622 4.340 -0.002 0.000 0.377 923 R C 0.145 176.253 176.300 -0.320 0.000 1.130 923 R CA -0.391 55.426 56.100 -0.471 0.000 1.055 923 R CB -0.073 29.918 30.300 -0.516 0.000 1.387 923 R HN 0.194 nan 8.270 nan 0.000 0.580 924 L N 1.644 122.727 121.223 -0.234 0.000 2.483 924 L HA 0.011 4.350 4.340 -0.002 0.000 0.276 924 L C 0.608 177.351 176.870 -0.212 0.000 1.213 924 L CA 0.284 55.015 54.840 -0.182 0.000 0.843 924 L CB 0.587 42.559 42.059 -0.146 0.000 1.107 924 L HN 0.167 nan 8.230 nan 0.000 0.487 925 D N 3.295 123.584 120.400 -0.186 0.000 2.826 925 D HA -0.044 4.594 4.640 -0.002 0.000 0.229 925 D C 1.463 177.721 176.300 -0.070 0.000 1.091 925 D CA 0.109 54.000 54.000 -0.183 0.000 1.061 925 D CB 0.066 40.821 40.800 -0.074 0.000 1.155 925 D HN 0.366 nan 8.370 nan 0.000 0.450 926 V N 1.274 121.125 119.914 -0.106 0.000 2.592 926 V HA -0.289 3.830 4.120 -0.002 0.000 0.262 926 V C 1.650 177.780 176.094 0.060 0.000 1.108 926 V CA 1.890 64.120 62.300 -0.117 0.000 1.121 926 V CB -0.224 31.527 31.823 -0.119 0.000 0.689 926 V HN 0.451 nan 8.190 nan 0.000 0.479 927 D N -0.338 120.164 120.400 0.169 0.000 2.348 927 D HA 0.106 4.745 4.640 -0.002 0.000 0.216 927 D C 0.882 177.384 176.300 0.338 0.000 0.970 927 D CA 0.977 55.186 54.000 0.349 0.000 0.889 927 D CB 0.191 41.248 40.800 0.428 0.000 0.912 927 D HN 0.569 nan 8.370 nan 0.000 0.524 928 A N 0.316 123.273 122.820 0.227 0.000 2.261 928 A HA 0.787 5.106 4.320 -0.002 0.000 0.323 928 A C -0.455 177.221 177.584 0.152 0.000 1.107 928 A CA 0.042 52.212 52.037 0.222 0.000 0.883 928 A CB 1.547 20.665 19.000 0.197 0.000 1.251 928 A HN 0.135 nan 8.150 nan 0.000 0.502 929 A N -1.356 121.552 122.820 0.147 0.000 2.588 929 A HA 0.681 5.000 4.320 -0.002 0.000 0.305 929 A C -0.010 177.637 177.584 0.105 0.000 0.991 929 A CA 0.464 52.564 52.037 0.106 0.000 0.784 929 A CB -0.234 18.829 19.000 0.106 0.000 1.189 929 A HN 2.961 nan 8.150 nan 0.000 0.390 930 G N -0.793 108.053 108.800 0.077 0.000 2.316 930 G HA2 0.566 4.525 3.960 -0.002 0.000 0.349 930 G HA3 0.566 4.525 3.960 -0.002 0.000 0.349 930 G C -0.742 174.193 174.900 0.058 0.000 1.274 930 G CA 0.330 45.473 45.100 0.072 0.000 1.018 930 G HN 1.953 nan 8.290 nan 0.000 0.486 931 V N -0.486 119.463 119.914 0.060 0.000 3.229 931 V HA 1.016 5.135 4.120 -0.002 0.000 0.310 931 V C 0.723 176.855 176.094 0.064 0.000 1.206 931 V CA -0.150 62.179 62.300 0.047 0.000 1.051 931 V CB 1.360 33.206 31.823 0.038 0.000 1.183 931 V HN 2.482 nan 8.190 nan 0.000 0.466 932 A N 0.238 123.092 122.820 0.056 0.000 2.520 932 A HA 0.882 5.200 4.320 -0.002 0.000 0.298 932 A C -0.337 177.283 177.584 0.061 0.000 1.051 932 A CA 0.236 52.316 52.037 0.072 0.000 0.690 932 A CB 1.907 20.950 19.000 0.073 0.000 1.281 932 A HN 1.289 nan 8.150 nan 0.000 0.402 933 S N -0.233 115.509 115.700 0.069 0.000 3.728 933 S HA 0.503 4.972 4.470 -0.002 0.000 0.253 933 S C 0.164 174.799 174.600 0.059 0.000 1.032 933 S CA 0.287 58.521 58.200 0.057 0.000 1.323 933 S CB -0.120 63.110 63.200 0.050 0.000 1.223 933 S HN 1.260 nan 8.310 nan 0.000 0.728 934 V N 2.343 122.287 119.914 0.050 0.000 2.359 934 V HA 0.103 4.222 4.120 -0.002 0.000 0.283 934 V C 0.279 176.405 176.094 0.052 0.000 1.732 934 V CA 0.370 62.697 62.300 0.045 0.000 1.675 934 V CB -1.294 30.550 31.823 0.036 0.000 1.395 934 V HN 0.564 nan 8.190 nan 0.000 0.465 935 V N 0.095 120.049 119.914 0.066 0.000 3.159 935 V HA 0.129 4.248 4.120 -0.002 0.000 0.333 935 V C 1.854 177.995 176.094 0.079 0.000 1.424 935 V CA 0.050 62.395 62.300 0.075 0.000 1.125 935 V CB 0.543 32.424 31.823 0.096 0.000 1.075 935 V HN 0.729 nan 8.190 nan 0.000 0.482 936 E N 1.509 121.749 120.200 0.067 0.000 2.331 936 E HA -0.181 4.168 4.350 -0.002 0.000 0.199 936 E C 0.271 176.896 176.600 0.042 0.000 1.008 936 E CA 0.298 56.735 56.400 0.062 0.000 0.843 936 E CB 0.052 29.779 29.700 0.046 0.000 0.761 936 E HN 0.722 nan 8.360 nan 0.000 0.507 937 E N 2.123 122.343 120.200 0.034 0.000 1.414 937 E HA -0.169 4.180 4.350 -0.002 0.000 0.351 937 E C -1.771 174.830 176.600 0.002 0.000 0.578 937 E CA 0.135 56.547 56.400 0.019 0.000 1.318 937 E CB -0.177 29.537 29.700 0.023 0.000 0.433 937 E HN 0.383 nan 8.360 nan 0.000 0.382 938 P HA -0.191 nan 4.420 nan 0.000 0.255 938 P C -0.246 177.025 177.300 -0.048 0.000 1.234 938 P CA 1.269 64.350 63.100 -0.031 0.000 0.755 938 P CB -0.511 31.175 31.700 -0.023 0.000 0.969 939 T N -2.464 112.063 114.554 -0.046 0.000 3.089 939 T HA 0.376 4.725 4.350 -0.002 0.000 0.340 939 T C 0.012 174.675 174.700 -0.061 0.000 1.008 939 T CA -0.871 61.194 62.100 -0.058 0.000 1.096 939 T CB 0.160 69.007 68.868 -0.035 0.000 1.024 939 T HN -0.110 nan 8.240 nan 0.000 0.477 940 L N 3.811 124.957 121.223 -0.128 0.000 2.700 940 L HA 0.241 4.580 4.340 -0.002 0.000 0.276 940 L C 1.121 177.979 176.870 -0.021 0.000 1.200 940 L CA 0.409 55.164 54.840 -0.142 0.000 0.951 940 L CB -0.328 41.465 42.059 -0.444 0.000 1.226 940 L HN 0.888 nan 8.230 nan 0.000 0.489 941 T N 0.079 114.666 114.554 0.055 0.000 2.907 941 T HA 0.410 4.759 4.350 -0.002 0.000 0.292 941 T C -2.122 172.523 174.700 -0.092 0.000 1.043 941 T CA -2.092 60.000 62.100 -0.013 0.000 1.003 941 T CB 2.263 71.158 68.868 0.044 0.000 1.084 941 T HN 0.168 nan 8.240 nan 0.000 0.483 942 P HA -0.066 nan 4.420 nan 0.000 0.229 942 P C 1.036 177.868 177.300 -0.779 0.000 1.150 942 P CA 0.867 63.327 63.100 -1.066 0.000 0.765 942 P CB -0.110 30.264 31.700 -2.211 0.000 0.783 943 H N -1.268 117.638 119.070 -0.273 0.000 2.535 943 H HA 0.120 4.675 4.556 -0.002 0.000 0.273 943 H C 1.080 176.427 175.328 0.030 0.000 0.983 943 H CA 0.865 56.833 56.048 -0.134 0.000 1.238 943 H CB 0.039 29.738 29.762 -0.104 0.000 1.412 943 H HN 0.377 nan 8.280 nan 0.000 0.562 944 Q N 0.254 120.180 119.800 0.209 0.000 2.222 944 Q HA 0.075 4.414 4.340 -0.002 0.000 0.206 944 Q C -0.395 175.845 176.000 0.401 0.000 0.877 944 Q CA -0.391 55.596 55.803 0.306 0.000 0.958 944 Q CB 0.257 29.200 28.738 0.342 0.000 1.075 944 Q HN 0.098 nan 8.270 nan 0.000 0.483 945 F N 4.339 124.284 119.950 -0.007 0.000 2.467 945 F HA 0.223 4.749 4.527 -0.002 0.000 0.362 945 F C -1.869 173.893 175.800 -0.063 0.000 1.090 945 F CA -3.269 54.543 58.000 -0.313 0.000 1.202 945 F CB 0.588 39.366 39.000 -0.370 0.000 1.113 945 F HN -0.010 nan 8.300 nan 0.000 0.541 946 P HA -0.199 nan 4.420 nan 0.000 0.261 946 P C -0.413 176.750 177.300 -0.228 0.000 1.133 946 P CA 0.633 63.535 63.100 -0.330 0.000 0.756 946 P CB 0.292 31.763 31.700 -0.381 0.000 0.726 947 R N 1.794 122.263 120.500 -0.052 0.000 2.528 947 R HA 0.561 4.899 4.340 -0.002 0.000 0.271 947 R C 0.766 177.090 176.300 0.040 0.000 1.056 947 R CA 0.770 56.892 56.100 0.036 0.000 1.117 947 R CB 0.804 31.163 30.300 0.097 0.000 1.085 947 R HN 0.832 nan 8.270 nan 0.000 0.530 948 G N -0.027 108.829 108.800 0.093 0.000 2.483 948 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.521 948 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.521 948 G C 0.055 175.008 174.900 0.089 0.000 1.278 948 G CA -0.190 44.961 45.100 0.085 0.000 0.965 948 G HN 0.674 nan 8.290 nan 0.000 0.504 949 A N -0.778 122.078 122.820 0.061 0.000 1.898 949 A HA 0.338 4.656 4.320 -0.002 0.000 0.214 949 A C 2.769 180.382 177.584 0.048 0.000 1.183 949 A CA 2.760 54.824 52.037 0.045 0.000 0.622 949 A CB -0.853 18.146 19.000 -0.002 0.000 0.824 949 A HN 2.074 nan 8.150 nan 0.000 0.444 950 S N 0.173 115.893 115.700 0.033 0.000 2.359 950 S HA -0.104 4.365 4.470 -0.002 0.000 0.224 950 S C 0.235 174.923 174.600 0.145 0.000 1.035 950 S CA 1.792 60.020 58.200 0.046 0.000 1.018 950 S CB -0.766 62.428 63.200 -0.010 0.000 0.876 950 S HN 0.513 nan 8.310 nan 0.000 0.448 951 P HA 0.094 nan 4.420 nan 0.000 0.217 951 P C 1.778 179.250 177.300 0.286 0.000 1.154 951 P CA 1.503 64.769 63.100 0.276 0.000 0.841 951 P CB -0.796 30.918 31.700 0.024 0.000 0.788 952 G N 0.546 109.464 108.800 0.198 0.000 2.491 952 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.218 952 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.218 952 G C 1.750 176.787 174.900 0.228 0.000 1.180 952 G CA 2.152 47.385 45.100 0.222 0.000 0.774 952 G HN 0.439 nan 8.290 nan 0.000 0.562 953 T N -1.326 113.311 114.554 0.138 0.000 3.072 953 T HA -0.030 4.319 4.350 -0.002 0.000 0.266 953 T C 1.971 176.734 174.700 0.105 0.000 1.127 953 T CA 1.159 63.302 62.100 0.071 0.000 1.107 953 T CB -0.310 68.534 68.868 -0.041 0.000 0.910 953 T HN 0.189 nan 8.240 nan 0.000 0.513 954 F N 2.004 121.981 119.950 0.045 0.000 2.113 954 F HA 0.125 4.650 4.527 -0.002 0.000 0.297 954 F C 1.765 177.502 175.800 -0.105 0.000 1.103 954 F CA 0.869 58.860 58.000 -0.014 0.000 1.248 954 F CB -0.577 38.427 39.000 0.007 0.000 0.999 954 F HN 0.138 nan 8.300 nan 0.000 0.475 955 L N -0.240 120.783 121.223 -0.332 0.000 1.955 955 L HA -0.304 4.035 4.340 -0.002 0.000 0.213 955 L C 2.577 179.151 176.870 -0.494 0.000 1.072 955 L CA 2.099 56.612 54.840 -0.545 0.000 0.755 955 L CB -1.565 40.342 42.059 -0.253 0.000 0.888 955 L HN 0.153 nan 8.230 nan 0.000 0.432 956 H N -0.561 118.335 119.070 -0.291 0.000 2.362 956 H HA -0.237 4.318 4.556 -0.002 0.000 0.294 956 H C 2.623 177.772 175.328 -0.298 0.000 1.113 956 H CA 2.027 57.921 56.048 -0.257 0.000 1.253 956 H CB -0.382 29.294 29.762 -0.143 0.000 1.363 956 H HN 0.302 nan 8.280 nan 0.000 0.494 957 S N -0.295 115.294 115.700 -0.186 0.000 2.365 957 S HA -0.180 4.288 4.470 -0.002 0.000 0.225 957 S C 2.108 176.508 174.600 -0.333 0.000 1.039 957 S CA 1.247 59.312 58.200 -0.225 0.000 1.033 957 S CB -0.366 62.695 63.200 -0.232 0.000 0.887 957 S HN 0.189 nan 8.310 nan 0.000 0.447 958 L N 0.779 121.629 121.223 -0.622 0.000 1.963 958 L HA -0.049 4.290 4.340 -0.002 0.000 0.220 958 L C 2.001 178.587 176.870 -0.473 0.000 1.076 958 L CA 1.929 56.359 54.840 -0.685 0.000 0.772 958 L CB -1.671 39.693 42.059 -1.159 0.000 0.892 958 L HN 0.429 nan 8.230 nan 0.000 0.435 959 F N -0.490 119.245 119.950 -0.357 0.000 2.795 959 F HA 0.004 4.530 4.527 -0.002 0.000 0.303 959 F C 2.183 177.922 175.800 -0.103 0.000 1.186 959 F CA 0.065 57.902 58.000 -0.271 0.000 1.415 959 F CB -0.780 37.733 39.000 -0.812 0.000 1.106 959 F HN 0.263 nan 8.300 nan 0.000 0.558 960 E N 0.310 120.519 120.200 0.016 0.000 2.051 960 E HA -0.117 4.232 4.350 -0.002 0.000 0.189 960 E C 0.067 176.698 176.600 0.052 0.000 0.979 960 E CA 1.151 57.578 56.400 0.045 0.000 0.803 960 E CB 0.099 29.805 29.700 0.010 0.000 0.761 960 E HN 0.312 nan 8.360 nan 0.000 0.451 961 D N 0.214 120.653 120.400 0.065 0.000 2.389 961 D HA 0.289 4.928 4.640 -0.002 0.000 0.256 961 D C -0.574 175.769 176.300 0.070 0.000 1.239 961 D CA -0.170 53.858 54.000 0.047 0.000 0.925 961 D CB 0.655 41.484 40.800 0.048 0.000 1.145 961 D HN 0.015 nan 8.370 nan 0.000 0.542 962 L N 0.299 121.541 121.223 0.031 0.000 2.235 962 L HA 0.500 4.839 4.340 -0.002 0.000 0.260 962 L C -0.675 176.163 176.870 -0.053 0.000 1.025 962 L CA -0.939 53.901 54.840 -0.001 0.000 0.836 962 L CB 2.273 44.532 42.059 0.333 0.000 1.395 962 L HN 0.104 nan 8.230 nan 0.000 0.443 963 D N -0.443 119.926 120.400 -0.051 0.000 2.795 963 D HA 0.259 4.897 4.640 -0.002 0.000 0.335 963 D C 0.956 177.314 176.300 0.098 0.000 1.262 963 D CA -0.085 53.888 54.000 -0.045 0.000 0.885 963 D CB 0.178 40.904 40.800 -0.123 0.000 1.047 963 D HN 0.299 nan 8.370 nan 0.000 0.500 964 F N 0.139 120.025 119.950 -0.107 0.000 2.094 964 F HA -0.408 4.118 4.527 -0.002 0.000 0.296 964 F C 2.770 178.514 175.800 -0.093 0.000 1.070 964 F CA 1.380 59.326 58.000 -0.091 0.000 1.255 964 F CB -0.639 38.307 39.000 -0.090 0.000 1.000 964 F HN 0.300 nan 8.300 nan 0.000 0.490 965 T N -1.240 113.386 114.554 0.121 0.000 2.555 965 T HA -0.242 4.107 4.350 -0.002 0.000 0.264 965 T C 0.990 175.690 174.700 -0.001 0.000 1.083 965 T CA 1.066 63.188 62.100 0.037 0.000 1.179 965 T CB -0.693 68.180 68.868 0.009 0.000 0.863 965 T HN 0.283 nan 8.240 nan 0.000 0.412 966 Q N 2.168 121.952 119.800 -0.026 0.000 2.414 966 Q HA 0.372 4.711 4.340 -0.002 0.000 0.206 966 Q C -2.175 173.787 176.000 -0.062 0.000 1.058 966 Q CA -1.912 53.863 55.803 -0.046 0.000 1.025 966 Q CB -0.000 28.701 28.738 -0.061 0.000 1.196 966 Q HN 0.457 nan 8.270 nan 0.000 0.586 967 P HA 0.100 nan 4.420 nan 0.000 0.279 967 P C -0.764 176.478 177.300 -0.098 0.000 1.252 967 P CA -0.291 62.770 63.100 -0.065 0.000 0.811 967 P CB 0.683 32.358 31.700 -0.041 0.000 1.035 968 V N 2.740 122.601 119.914 -0.088 0.000 2.403 968 V HA -0.004 4.115 4.120 -0.002 0.000 0.265 968 V C 1.033 177.104 176.094 -0.039 0.000 1.034 968 V CA 0.102 62.340 62.300 -0.102 0.000 1.036 968 V CB -0.670 31.122 31.823 -0.051 0.000 1.032 968 V HN 0.595 nan 8.190 nan 0.000 0.478 969 D N 7.190 127.555 120.400 -0.058 0.000 2.455 969 D HA 0.072 4.711 4.640 -0.002 0.000 0.241 969 D C -1.724 174.656 176.300 0.134 0.000 1.138 969 D CA -1.370 52.653 54.000 0.038 0.000 0.877 969 D CB 2.082 42.915 40.800 0.056 0.000 1.187 969 D HN 0.225 nan 8.370 nan 0.000 0.451 970 P HA 0.042 nan 4.420 nan 0.000 0.228 970 P C 0.965 178.351 177.300 0.144 0.000 1.166 970 P CA 0.148 63.323 63.100 0.126 0.000 0.812 970 P CB 0.405 32.154 31.700 0.082 0.000 0.857 971 N N -0.894 117.886 118.700 0.133 0.000 2.036 971 N HA -0.209 4.530 4.740 -0.002 0.000 0.195 971 N C 1.540 177.149 175.510 0.164 0.000 1.037 971 N CA 1.224 54.347 53.050 0.122 0.000 0.855 971 N CB -1.122 37.429 38.487 0.108 0.000 1.033 971 N HN 0.198 nan 8.380 nan 0.000 0.423 972 W N 2.331 123.631 121.300 -0.001 0.000 2.290 972 W HA -0.264 4.395 4.660 -0.002 0.000 0.328 972 W C 2.158 178.673 176.519 -0.006 0.000 1.272 972 W CA 1.854 59.194 57.345 -0.009 0.000 1.262 972 W CB -0.681 28.764 29.460 -0.024 0.000 1.151 972 W HN -0.174 nan 8.180 nan 0.000 0.473 973 V N 1.948 121.984 119.914 0.203 0.000 2.332 973 V HA -0.370 3.749 4.120 -0.002 0.000 0.248 973 V C 2.519 178.582 176.094 -0.052 0.000 1.055 973 V CA 2.762 65.049 62.300 -0.022 0.000 1.038 973 V CB -1.287 30.620 31.823 0.140 0.000 0.651 973 V HN 0.432 nan 8.190 nan 0.000 0.450 974 R N 0.982 121.494 120.500 0.019 0.000 2.120 974 R HA -0.185 4.154 4.340 -0.002 0.000 0.234 974 R C 2.095 178.384 176.300 -0.018 0.000 1.123 974 R CA 2.174 58.290 56.100 0.026 0.000 0.975 974 R CB -0.631 29.697 30.300 0.046 0.000 0.866 974 R HN 0.601 nan 8.270 nan 0.000 0.446 975 E N 0.439 120.599 120.200 -0.066 0.000 2.072 975 E HA -0.183 4.166 4.350 -0.002 0.000 0.191 975 E C 1.301 177.812 176.600 -0.149 0.000 0.985 975 E CA 1.012 57.353 56.400 -0.099 0.000 0.801 975 E CB 0.144 29.776 29.700 -0.112 0.000 0.750 975 E HN 0.161 nan 8.360 nan 0.000 0.452 976 K N 0.676 120.908 120.400 -0.279 0.000 2.009 976 K HA -0.121 4.198 4.320 -0.002 0.000 0.210 976 K C 2.121 178.720 176.600 -0.001 0.000 1.049 976 K CA 1.123 57.290 56.287 -0.201 0.000 0.929 976 K CB -0.641 31.605 32.500 -0.423 0.000 0.714 976 K HN 0.155 nan 8.250 nan 0.000 0.440 977 L N 0.788 122.002 121.223 -0.015 0.000 2.083 977 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 977 L C 2.518 179.396 176.870 0.013 0.000 1.083 977 L CA 1.522 56.322 54.840 -0.067 0.000 0.752 977 L CB -0.426 41.655 42.059 0.037 0.000 0.899 977 L HN 0.351 nan 8.230 nan 0.000 0.433 978 E N 0.652 120.859 120.200 0.013 0.000 2.106 978 E HA -0.201 4.147 4.350 -0.002 0.000 0.192 978 E C 2.306 178.906 176.600 -0.000 0.000 0.984 978 E CA 1.042 57.453 56.400 0.018 0.000 0.806 978 E CB 0.016 29.722 29.700 0.009 0.000 0.750 978 E HN 0.506 nan 8.360 nan 0.000 0.458 979 L N 0.077 121.291 121.223 -0.014 0.000 2.072 979 L HA 0.006 4.345 4.340 -0.002 0.000 0.205 979 L C 2.437 179.305 176.870 -0.003 0.000 1.079 979 L CA 1.027 55.859 54.840 -0.012 0.000 0.752 979 L CB -0.289 41.758 42.059 -0.020 0.000 0.906 979 L HN 0.235 nan 8.230 nan 0.000 0.436 980 G N -1.085 107.718 108.800 0.005 0.000 2.956 980 G HA2 0.181 4.140 3.960 -0.002 0.000 0.207 980 G HA3 0.181 4.140 3.960 -0.002 0.000 0.207 980 G C 1.146 176.034 174.900 -0.020 0.000 1.162 980 G CA 0.403 45.513 45.100 0.016 0.000 0.796 980 G HN 0.518 nan 8.290 nan 0.000 0.527 981 G N -1.008 107.767 108.800 -0.042 0.000 2.198 981 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.257 981 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.257 981 G C -0.026 174.732 174.900 -0.237 0.000 1.042 981 G CA -0.060 44.958 45.100 -0.137 0.000 0.791 981 G HN 0.307 nan 8.290 nan 0.000 0.502 982 F N 0.035 119.879 119.950 -0.176 0.000 2.483 982 F HA 0.600 5.126 4.527 -0.002 0.000 0.329 982 F C 0.811 176.639 175.800 0.047 0.000 1.064 982 F CA -1.159 56.782 58.000 -0.098 0.000 0.986 982 F CB 1.083 39.960 39.000 -0.205 0.000 1.218 982 F HN 0.082 nan 8.300 nan 0.000 0.484 983 E N 0.168 120.592 120.200 0.372 0.000 2.384 983 E HA 0.110 4.459 4.350 -0.002 0.000 0.266 983 E C 0.690 177.470 176.600 0.299 0.000 1.012 983 E CA 0.048 56.610 56.400 0.270 0.000 0.901 983 E CB 0.583 30.413 29.700 0.217 0.000 0.967 983 E HN 0.570 nan 8.360 nan 0.000 0.435 984 S N 2.826 118.624 115.700 0.164 0.000 2.374 984 S HA -0.269 4.200 4.470 -0.002 0.000 0.227 984 S C 1.258 175.940 174.600 0.135 0.000 1.037 984 S CA 1.250 59.530 58.200 0.133 0.000 1.024 984 S CB -0.239 63.005 63.200 0.073 0.000 0.861 984 S HN 0.506 nan 8.310 nan 0.000 0.456 985 Q N -0.243 119.601 119.800 0.074 0.000 2.631 985 Q HA -0.026 4.313 4.340 -0.002 0.000 0.220 985 Q C 0.832 176.794 176.000 -0.063 0.000 0.978 985 Q CA 0.735 56.525 55.803 -0.021 0.000 0.961 985 Q CB -0.716 27.961 28.738 -0.102 0.000 0.988 985 Q HN 0.739 nan 8.270 nan 0.000 0.567 986 W N -0.389 120.952 121.300 0.069 0.000 3.013 986 W HA 0.080 4.739 4.660 -0.002 0.000 0.280 986 W C 1.909 178.452 176.519 0.040 0.000 1.249 986 W CA 0.145 57.536 57.345 0.077 0.000 1.577 986 W CB 0.514 30.056 29.460 0.138 0.000 1.057 986 W HN 0.250 nan 8.180 nan 0.000 0.613 987 E N 1.486 121.830 120.200 0.239 0.000 2.097 987 E HA -0.221 4.128 4.350 -0.002 0.000 0.196 987 E C -0.818 175.859 176.600 0.128 0.000 1.000 987 E CA 1.930 58.423 56.400 0.156 0.000 0.804 987 E CB -1.784 27.981 29.700 0.108 0.000 0.740 987 E HN 0.065 nan 8.360 nan 0.000 0.454 988 P HA -0.140 nan 4.420 nan 0.000 0.214 988 P C 1.648 179.003 177.300 0.091 0.000 1.163 988 P CA 1.785 64.926 63.100 0.068 0.000 0.883 988 P CB -0.039 31.677 31.700 0.027 0.000 0.788 989 V N -0.809 119.178 119.914 0.121 0.000 2.343 989 V HA -0.199 3.919 4.120 -0.002 0.000 0.247 989 V C 2.368 178.585 176.094 0.205 0.000 1.051 989 V CA 1.487 63.877 62.300 0.151 0.000 1.036 989 V CB -1.232 30.728 31.823 0.228 0.000 0.654 989 V HN 0.049 nan 8.190 nan 0.000 0.451 990 L N 0.169 121.535 121.223 0.238 0.000 2.023 990 L HA -0.104 4.234 4.340 -0.002 0.000 0.205 990 L C 2.684 179.638 176.870 0.140 0.000 1.073 990 L CA 2.677 57.636 54.840 0.199 0.000 0.745 990 L CB -1.071 41.027 42.059 0.065 0.000 0.900 990 L HN 0.404 nan 8.230 nan 0.000 0.435 991 T N -1.314 113.304 114.554 0.108 0.000 2.759 991 T HA -0.283 4.066 4.350 -0.002 0.000 0.269 991 T C 1.856 176.608 174.700 0.087 0.000 1.042 991 T CA 1.837 63.988 62.100 0.083 0.000 1.140 991 T CB -0.291 68.628 68.868 0.086 0.000 0.864 991 T HN 0.583 nan 8.240 nan 0.000 0.455 992 E N -1.571 118.695 120.200 0.111 0.000 2.274 992 E HA -0.112 4.237 4.350 -0.002 0.000 0.194 992 E C 1.860 178.563 176.600 0.172 0.000 0.996 992 E CA 0.826 57.290 56.400 0.107 0.000 0.840 992 E CB -0.252 29.498 29.700 0.084 0.000 0.772 992 E HN 0.716 nan 8.360 nan 0.000 0.491 993 W N 1.239 122.513 121.300 -0.044 0.000 2.480 993 W HA 0.046 4.704 4.660 -0.002 0.000 0.299 993 W C 1.680 178.171 176.519 -0.047 0.000 1.187 993 W CA 0.706 58.010 57.345 -0.068 0.000 1.347 993 W CB -0.596 28.789 29.460 -0.125 0.000 1.121 993 W HN 0.016 nan 8.180 nan 0.000 0.533 994 I N 1.012 121.587 120.570 0.007 0.000 2.099 994 I HA -0.404 3.765 4.170 -0.002 0.000 0.239 994 I C 2.571 178.671 176.117 -0.027 0.000 1.066 994 I CA 2.467 63.703 61.300 -0.107 0.000 1.324 994 I CB -1.303 36.612 38.000 -0.143 0.000 1.037 994 I HN 0.023 nan 8.210 nan 0.000 0.401 995 T N 0.045 114.595 114.554 -0.007 0.000 2.652 995 T HA -0.230 4.119 4.350 -0.002 0.000 0.267 995 T C 2.067 176.762 174.700 -0.010 0.000 1.039 995 T CA 1.265 63.353 62.100 -0.021 0.000 1.153 995 T CB -0.896 67.970 68.868 -0.003 0.000 0.863 995 T HN 0.390 nan 8.240 nan 0.000 0.428 996 A N 1.045 123.893 122.820 0.046 0.000 1.896 996 A HA -0.098 4.221 4.320 -0.002 0.000 0.220 996 A C 2.674 180.272 177.584 0.023 0.000 1.206 996 A CA 2.171 54.246 52.037 0.063 0.000 0.647 996 A CB -1.441 17.641 19.000 0.136 0.000 0.828 996 A HN 0.444 nan 8.150 nan 0.000 0.455 997 V N -0.448 119.475 119.914 0.016 0.000 2.913 997 V HA -0.133 3.985 4.120 -0.002 0.000 0.260 997 V C 2.313 178.291 176.094 -0.193 0.000 1.098 997 V CA 1.609 63.863 62.300 -0.077 0.000 1.121 997 V CB -0.327 31.417 31.823 -0.131 0.000 0.714 997 V HN 0.558 nan 8.190 nan 0.000 0.487 998 L N -1.182 119.934 121.223 -0.178 0.000 2.102 998 L HA -0.038 4.301 4.340 -0.002 0.000 0.202 998 L C 1.888 178.633 176.870 -0.208 0.000 1.076 998 L CA 1.080 55.753 54.840 -0.279 0.000 0.761 998 L CB -0.141 41.771 42.059 -0.245 0.000 0.921 998 L HN 0.254 nan 8.230 nan 0.000 0.444 999 Q N 0.237 119.964 119.800 -0.123 0.000 2.247 999 Q HA 0.242 4.581 4.340 -0.002 0.000 0.234 999 Q C -0.113 175.847 176.000 -0.068 0.000 0.899 999 Q CA -0.421 55.330 55.803 -0.088 0.000 0.951 999 Q CB 0.342 29.049 28.738 -0.052 0.000 1.057 999 Q HN 0.344 nan 8.270 nan 0.000 0.444 1000 A N 1.812 124.580 122.820 -0.088 0.000 2.294 1000 A HA 0.584 4.902 4.320 -0.002 0.000 0.330 1000 A C -2.409 175.130 177.584 -0.075 0.000 1.133 1000 A CA -1.727 50.278 52.037 -0.054 0.000 0.836 1000 A CB 0.516 19.496 19.000 -0.033 0.000 1.190 1000 A HN 0.037 nan 8.150 nan 0.000 0.492 1001 P HA 0.262 nan 4.420 nan 0.000 0.258 1001 P C 0.139 177.420 177.300 -0.032 0.000 1.647 1001 P CA -0.318 62.755 63.100 -0.046 0.000 1.099 1001 P CB 0.674 32.362 31.700 -0.019 0.000 1.604 1002 L N 2.484 123.669 121.223 -0.064 0.000 1.955 1002 L HA -0.093 4.246 4.340 -0.002 0.000 0.213 1002 L C 1.632 178.508 176.870 0.009 0.000 1.072 1002 L CA 1.899 56.723 54.840 -0.027 0.000 0.755 1002 L CB -1.118 40.906 42.059 -0.058 0.000 0.888 1002 L HN 0.326 nan 8.230 nan 0.000 0.432 1003 N N -0.559 118.135 118.700 -0.009 0.000 2.467 1003 N HA 0.090 4.829 4.740 -0.002 0.000 0.278 1003 N C 0.285 175.811 175.510 0.026 0.000 1.306 1003 N CA 0.064 53.133 53.050 0.032 0.000 0.905 1003 N CB 0.699 39.239 38.487 0.088 0.000 1.236 1003 N HN 0.282 nan 8.380 nan 0.000 0.509 1004 E N -1.178 119.029 120.200 0.010 0.000 5.189 1004 E HA -0.277 4.072 4.350 -0.002 0.000 0.170 1004 E C 0.030 176.642 176.600 0.018 0.000 1.351 1004 E CA 2.122 58.530 56.400 0.013 0.000 2.132 1004 E CB -1.180 28.533 29.700 0.021 0.000 1.904 1004 E HN 0.508 nan 8.360 nan 0.000 0.332 1005 T N -0.655 113.922 114.554 0.039 0.000 3.474 1005 T HA 0.446 4.795 4.350 -0.002 0.000 0.270 1005 T C 0.928 175.686 174.700 0.097 0.000 1.079 1005 T CA 0.531 62.671 62.100 0.068 0.000 1.110 1005 T CB 0.444 69.366 68.868 0.090 0.000 1.087 1005 T HN 0.737 nan 8.240 nan 0.000 0.784 1006 G N 2.686 111.526 108.800 0.066 0.000 3.031 1006 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.289 1006 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.289 1006 G C 0.330 175.179 174.900 -0.085 0.000 1.393 1006 G CA 0.357 45.502 45.100 0.076 0.000 1.010 1006 G HN 1.660 nan 8.290 nan 0.000 0.579 1007 V N -0.775 118.961 119.914 -0.297 0.000 0.690 1007 V HA 0.001 4.120 4.120 -0.002 0.000 0.092 1007 V C 1.505 177.416 176.094 -0.304 0.000 0.774 1007 V CA 3.313 65.407 62.300 -0.343 0.000 3.098 1007 V CB -1.433 30.284 31.823 -0.177 0.000 0.185 1007 V HN 3.161 nan 8.190 nan 0.000 0.075 1008 S N -0.887 114.668 115.700 -0.242 0.000 3.312 1008 S HA -0.158 4.311 4.470 -0.002 0.000 0.667 1008 S C 0.456 174.887 174.600 -0.282 0.000 0.777 1008 S CA 0.927 58.993 58.200 -0.223 0.000 1.365 1008 S CB -0.898 62.214 63.200 -0.147 0.000 1.146 1008 S HN 1.405 nan 8.310 nan 0.000 0.726 1009 L N 4.577 125.590 121.223 -0.350 0.000 2.064 1009 L HA -0.249 4.090 4.340 -0.002 0.000 0.216 1009 L C 2.755 179.550 176.870 -0.125 0.000 1.077 1009 L CA 2.223 56.855 54.840 -0.347 0.000 0.766 1009 L CB -1.016 40.705 42.059 -0.565 0.000 0.890 1009 L HN 1.024 nan 8.230 nan 0.000 0.435 1010 S N -0.633 114.977 115.700 -0.150 0.000 2.462 1010 S HA -0.265 4.203 4.470 -0.002 0.000 0.243 1010 S C 1.595 176.192 174.600 -0.005 0.000 1.003 1010 S CA 1.279 59.450 58.200 -0.049 0.000 0.970 1010 S CB -0.470 62.684 63.200 -0.076 0.000 0.762 1010 S HN 0.614 nan 8.310 nan 0.000 0.510 1011 Q N 0.403 120.179 119.800 -0.040 0.000 2.320 1011 Q HA 0.372 4.711 4.340 -0.002 0.000 0.201 1011 Q C -0.442 175.577 176.000 0.032 0.000 0.910 1011 Q CA 0.018 55.818 55.803 -0.005 0.000 0.946 1011 Q CB 0.026 28.749 28.738 -0.025 0.000 1.062 1011 Q HN 0.545 nan 8.270 nan 0.000 0.503 1012 L N 2.073 123.314 121.223 0.030 0.000 2.264 1012 L HA 0.277 4.615 4.340 -0.002 0.000 0.287 1012 L C 0.401 177.284 176.870 0.021 0.000 1.039 1012 L CA -0.689 54.179 54.840 0.047 0.000 0.829 1012 L CB 0.948 43.004 42.059 -0.006 0.000 1.211 1012 L HN 0.079 nan 8.230 nan 0.000 0.427 1013 S N 2.147 117.866 115.700 0.032 0.000 2.624 1013 S HA 0.436 4.905 4.470 -0.002 0.000 0.263 1013 S C 1.369 175.951 174.600 -0.031 0.000 1.287 1013 S CA -0.028 58.170 58.200 -0.003 0.000 0.990 1013 S CB 1.665 64.876 63.200 0.018 0.000 0.950 1013 S HN 0.621 nan 8.310 nan 0.000 0.561 1014 A N 2.008 124.796 122.820 -0.055 0.000 1.859 1014 A HA -0.184 4.135 4.320 -0.002 0.000 0.218 1014 A C 2.194 179.772 177.584 -0.010 0.000 1.209 1014 A CA 2.104 54.104 52.037 -0.063 0.000 0.639 1014 A CB -1.261 17.709 19.000 -0.050 0.000 0.835 1014 A HN 0.847 nan 8.150 nan 0.000 0.450 1015 R N 0.387 120.897 120.500 0.016 0.000 2.294 1015 R HA -0.104 4.235 4.340 -0.002 0.000 0.250 1015 R C 0.748 177.099 176.300 0.085 0.000 1.181 1015 R CA 1.482 57.609 56.100 0.045 0.000 1.016 1015 R CB -0.579 29.747 30.300 0.044 0.000 0.869 1015 R HN 0.617 nan 8.270 nan 0.000 0.476 1016 N N -0.121 118.639 118.700 0.100 0.000 2.203 1016 N HA 0.072 4.811 4.740 -0.002 0.000 0.207 1016 N C -0.556 175.085 175.510 0.219 0.000 1.130 1016 N CA 0.241 53.398 53.050 0.178 0.000 0.861 1016 N CB 0.677 39.289 38.487 0.208 0.000 1.005 1016 N HN 0.195 nan 8.380 nan 0.000 0.507 1017 K N 0.132 120.607 120.400 0.125 0.000 2.340 1017 K HA 0.473 4.792 4.320 -0.002 0.000 0.244 1017 K C -0.788 175.856 176.600 0.073 0.000 0.973 1017 K CA -0.726 55.630 56.287 0.114 0.000 0.828 1017 K CB 1.913 34.386 32.500 -0.045 0.000 1.226 1017 K HN -0.275 nan 8.250 nan 0.000 0.437 1018 Q N 1.430 121.278 119.800 0.079 0.000 2.275 1018 Q HA 0.266 4.605 4.340 -0.002 0.000 0.258 1018 Q C -1.562 174.464 176.000 0.045 0.000 0.960 1018 Q CA -0.552 55.274 55.803 0.038 0.000 0.801 1018 Q CB 1.846 30.594 28.738 0.017 0.000 1.302 1018 Q HN 0.469 nan 8.270 nan 0.000 0.433 1019 V N 2.207 122.141 119.914 0.033 0.000 2.743 1019 V HA 0.415 4.534 4.120 -0.002 0.000 0.301 1019 V C 0.067 176.199 176.094 0.063 0.000 1.057 1019 V CA -0.753 61.587 62.300 0.067 0.000 1.006 1019 V CB 1.372 33.231 31.823 0.059 0.000 1.024 1019 V HN 0.923 nan 8.190 nan 0.000 0.473 1020 E N 1.487 121.747 120.200 0.100 0.000 2.216 1020 E HA -0.241 4.108 4.350 -0.002 0.000 0.162 1020 E C -0.378 176.257 176.600 0.058 0.000 1.642 1020 E CA 0.325 56.800 56.400 0.124 0.000 0.599 1020 E CB -0.478 29.316 29.700 0.156 0.000 1.045 1020 E HN 0.606 nan 8.360 nan 0.000 0.308 1021 M N 1.290 120.878 119.600 -0.020 0.000 2.288 1021 M HA 0.188 4.667 4.480 -0.002 0.000 0.334 1021 M C 0.269 176.449 176.300 -0.200 0.000 1.150 1021 M CA 0.106 55.332 55.300 -0.124 0.000 1.118 1021 M CB 1.119 33.599 32.600 -0.199 0.000 1.501 1021 M HN 0.204 nan 8.290 nan 0.000 0.462 1022 E N 3.355 123.383 120.200 -0.287 0.000 2.218 1022 E HA 0.404 4.753 4.350 -0.002 0.000 0.263 1022 E C -1.859 174.506 176.600 -0.393 0.000 0.879 1022 E CA -0.452 55.617 56.400 -0.552 0.000 0.762 1022 E CB 1.399 30.722 29.700 -0.628 0.000 1.166 1022 E HN 0.476 nan 8.360 nan 0.000 0.415 1023 F N 1.720 121.402 119.950 -0.446 0.000 2.556 1023 F HA 0.642 5.168 4.527 -0.002 0.000 0.327 1023 F C -1.476 174.087 175.800 -0.395 0.000 1.059 1023 F CA -0.989 56.827 58.000 -0.307 0.000 0.953 1023 F CB 0.924 39.763 39.000 -0.268 0.000 1.227 1023 F HN 0.236 nan 8.300 nan 0.000 0.478 1024 Y N 2.234 122.549 120.300 0.024 0.000 2.329 1024 Y HA 0.598 5.147 4.550 -0.002 0.000 0.328 1024 Y C -1.333 174.587 175.900 0.032 0.000 0.992 1024 Y CA -0.766 57.314 58.100 -0.033 0.000 1.151 1024 Y CB 1.926 40.334 38.460 -0.087 0.000 1.150 1024 Y HN 0.547 nan 8.280 nan 0.000 0.450 1025 L N 7.464 128.759 121.223 0.120 0.000 2.305 1025 L HA 0.548 4.887 4.340 -0.002 0.000 0.284 1025 L C -2.299 174.441 176.870 -0.217 0.000 1.013 1025 L CA -2.128 52.687 54.840 -0.041 0.000 0.819 1025 L CB 1.363 43.392 42.059 -0.051 0.000 1.227 1025 L HN 0.360 nan 8.230 nan 0.000 0.417 1026 P HA 0.227 nan 4.420 nan 0.000 0.275 1026 P C -0.880 175.812 177.300 -1.013 0.000 1.228 1026 P CA -0.142 62.672 63.100 -0.477 0.000 0.786 1026 P CB 0.901 32.401 31.700 -0.332 0.000 0.927 1027 I N -0.829 119.397 120.570 -0.573 0.000 2.563 1027 I HA 0.374 4.543 4.170 -0.002 0.000 0.276 1027 I C 0.174 176.352 176.117 0.101 0.000 1.074 1027 I CA -0.773 60.336 61.300 -0.319 0.000 1.124 1027 I CB 1.415 39.332 38.000 -0.137 0.000 1.225 1027 I HN 0.144 nan 8.210 nan 0.000 0.482 1028 S N 4.197 120.256 115.700 0.599 0.000 2.686 1028 S HA 0.351 4.820 4.470 -0.002 0.000 0.270 1028 S C 0.130 174.909 174.600 0.299 0.000 1.194 1028 S CA 0.137 58.608 58.200 0.452 0.000 0.990 1028 S CB 0.561 64.055 63.200 0.490 0.000 1.029 1028 S HN 0.775 nan 8.310 nan 0.000 0.560 1029 E N 1.466 121.782 120.200 0.194 0.000 4.395 1029 E HA -0.107 4.242 4.350 -0.002 0.000 0.190 1029 E C -2.439 174.243 176.600 0.136 0.000 1.926 1029 E CA 0.065 56.544 56.400 0.131 0.000 1.001 1029 E CB -0.862 28.891 29.700 0.088 0.000 1.026 1029 E HN 0.513 nan 8.360 nan 0.000 0.337 1030 P HA -0.157 nan 4.420 nan 0.000 0.267 1030 P C -0.237 177.139 177.300 0.127 0.000 1.158 1030 P CA 0.420 63.587 63.100 0.112 0.000 0.756 1030 P CB 0.467 32.226 31.700 0.099 0.000 0.766 1031 L N 4.392 125.704 121.223 0.148 0.000 2.287 1031 L HA 0.318 4.657 4.340 -0.002 0.000 0.280 1031 L C -0.381 176.649 176.870 0.266 0.000 1.055 1031 L CA -0.574 54.381 54.840 0.191 0.000 0.863 1031 L CB -0.445 41.716 42.059 0.169 0.000 1.245 1031 L HN 0.085 nan 8.230 nan 0.000 0.432 1032 I N 4.950 125.617 120.570 0.163 0.000 2.379 1032 I HA 0.228 4.397 4.170 -0.002 0.000 0.290 1032 I C 1.733 177.849 176.117 -0.003 0.000 1.063 1032 I CA 0.452 61.801 61.300 0.081 0.000 1.351 1032 I CB 1.126 39.145 38.000 0.032 0.000 1.410 1032 I HN 0.763 nan 8.210 nan 0.000 0.505 1033 A N 4.611 127.249 122.820 -0.303 0.000 2.023 1033 A HA -0.285 4.034 4.320 -0.002 0.000 0.223 1033 A C 2.320 179.754 177.584 -0.250 0.000 1.180 1033 A CA 2.588 54.215 52.037 -0.682 0.000 0.659 1033 A CB -0.897 17.382 19.000 -1.201 0.000 0.817 1033 A HN 0.824 nan 8.150 nan 0.000 0.466 1034 S N -0.669 114.939 115.700 -0.152 0.000 2.329 1034 S HA -0.228 4.241 4.470 -0.002 0.000 0.215 1034 S C 1.902 176.491 174.600 -0.017 0.000 1.031 1034 S CA 1.189 59.346 58.200 -0.073 0.000 0.985 1034 S CB -0.839 62.328 63.200 -0.054 0.000 0.917 1034 S HN 0.648 nan 8.310 nan 0.000 0.441 1035 Q N 0.398 120.201 119.800 0.005 0.000 2.308 1035 Q HA -0.052 4.287 4.340 -0.002 0.000 0.209 1035 Q C 1.999 178.031 176.000 0.054 0.000 0.985 1035 Q CA 1.230 57.053 55.803 0.033 0.000 0.881 1035 Q CB -0.397 28.366 28.738 0.042 0.000 0.917 1035 Q HN 0.501 nan 8.270 nan 0.000 0.443 1036 L N 0.369 121.635 121.223 0.071 0.000 2.307 1036 L HA -0.067 4.272 4.340 -0.002 0.000 0.211 1036 L C 1.885 178.806 176.870 0.084 0.000 1.099 1036 L CA 1.309 56.210 54.840 0.102 0.000 0.816 1036 L CB -0.195 41.974 42.059 0.182 0.000 0.952 1036 L HN 0.169 nan 8.230 nan 0.000 0.455 1037 D N -0.926 119.508 120.400 0.056 0.000 2.084 1037 D HA -0.272 4.367 4.640 -0.002 0.000 0.194 1037 D C 1.843 178.174 176.300 0.052 0.000 0.990 1037 D CA 2.227 56.254 54.000 0.045 0.000 0.826 1037 D CB 0.027 40.831 40.800 0.008 0.000 0.971 1037 D HN 0.488 nan 8.370 nan 0.000 0.453 1038 T N 0.771 115.353 114.554 0.047 0.000 2.597 1038 T HA -0.264 4.085 4.350 -0.002 0.000 0.267 1038 T C 2.490 177.246 174.700 0.092 0.000 1.053 1038 T CA 2.945 65.078 62.100 0.055 0.000 1.165 1038 T CB -1.238 67.659 68.868 0.048 0.000 0.863 1038 T HN 0.381 nan 8.240 nan 0.000 0.427 1039 L N -0.854 120.439 121.223 0.117 0.000 2.217 1039 L HA 0.200 4.538 4.340 -0.002 0.000 0.211 1039 L C 2.749 179.750 176.870 0.219 0.000 1.107 1039 L CA 0.770 55.730 54.840 0.201 0.000 0.783 1039 L CB -0.911 41.221 42.059 0.123 0.000 0.919 1039 L HN 0.099 nan 8.230 nan 0.000 0.442 1040 I N 0.904 121.551 120.570 0.128 0.000 2.226 1040 I HA -0.203 3.966 4.170 -0.002 0.000 0.245 1040 I C 2.875 179.066 176.117 0.123 0.000 1.100 1040 I CA 1.484 62.852 61.300 0.113 0.000 1.374 1040 I CB -0.848 37.203 38.000 0.086 0.000 1.057 1040 I HN 0.381 nan 8.210 nan 0.000 0.413 1041 R N 0.381 120.939 120.500 0.097 0.000 2.075 1041 R HA -0.198 4.141 4.340 -0.002 0.000 0.230 1041 R C 2.276 178.610 176.300 0.056 0.000 1.140 1041 R CA 1.546 57.682 56.100 0.061 0.000 0.928 1041 R CB -0.488 29.835 30.300 0.037 0.000 0.834 1041 R HN 0.439 nan 8.270 nan 0.000 0.429 1042 Q N -0.381 119.457 119.800 0.065 0.000 2.082 1042 Q HA -0.230 4.109 4.340 -0.002 0.000 0.211 1042 Q C 1.865 177.752 176.000 -0.189 0.000 1.002 1042 Q CA 2.094 57.856 55.803 -0.068 0.000 0.868 1042 Q CB -0.277 28.416 28.738 -0.074 0.000 0.931 1042 Q HN 0.315 nan 8.270 nan 0.000 0.414 1043 F N -0.408 119.535 119.950 -0.011 0.000 2.664 1043 F HA 0.128 4.654 4.527 -0.001 0.000 0.296 1043 F C 0.252 176.044 175.800 -0.014 0.000 1.125 1043 F CA 0.136 58.127 58.000 -0.014 0.000 1.444 1043 F CB 0.359 39.348 39.000 -0.018 0.000 1.114 1043 F HN -0.077 nan 8.300 nan 0.000 0.576 1044 D N 0.455 120.936 120.400 0.135 0.000 2.408 1044 D HA 0.229 4.868 4.640 -0.002 0.000 0.243 1044 D C -1.623 174.691 176.300 0.023 0.000 1.075 1044 D CA -2.251 51.790 54.000 0.067 0.000 0.832 1044 D CB 1.882 42.713 40.800 0.052 0.000 1.162 1044 D HN -0.203 nan 8.370 nan 0.000 0.515 1045 P HA -0.101 nan 4.420 nan 0.000 0.221 1045 P C 1.505 178.803 177.300 -0.003 0.000 1.150 1045 P CA 0.475 63.573 63.100 -0.003 0.000 0.800 1045 P CB 0.781 32.479 31.700 -0.004 0.000 0.787 1046 L N 0.711 121.931 121.223 -0.005 0.000 2.007 1046 L HA -0.072 4.267 4.340 -0.002 0.000 0.205 1046 L C 2.268 179.123 176.870 -0.024 0.000 1.073 1046 L CA 1.989 56.819 54.840 -0.016 0.000 0.744 1046 L CB -0.632 41.404 42.059 -0.039 0.000 0.898 1046 L HN 0.036 nan 8.230 nan 0.000 0.435 1047 S N -0.278 115.410 115.700 -0.020 0.000 2.723 1047 S HA 0.025 4.494 4.470 -0.002 0.000 0.231 1047 S C 1.558 176.161 174.600 0.005 0.000 0.967 1047 S CA 0.479 58.676 58.200 -0.004 0.000 0.958 1047 S CB -0.160 63.047 63.200 0.013 0.000 0.778 1047 S HN 0.399 nan 8.310 nan 0.000 0.537 1048 A N 1.420 124.239 122.820 -0.001 0.000 2.119 1048 A HA 0.401 4.719 4.320 -0.002 0.000 0.216 1048 A C 1.598 179.178 177.584 -0.007 0.000 1.152 1048 A CA 0.493 52.529 52.037 -0.003 0.000 0.708 1048 A CB -0.826 18.169 19.000 -0.008 0.000 0.805 1048 A HN 0.618 nan 8.150 nan 0.000 0.460 1049 G N -0.868 107.926 108.800 -0.010 0.000 2.916 1049 G HA2 0.261 4.219 3.960 -0.002 0.000 0.280 1049 G HA3 0.261 4.219 3.960 -0.002 0.000 0.280 1049 G C 0.262 175.158 174.900 -0.007 0.000 0.758 1049 G CA -0.207 44.885 45.100 -0.014 0.000 1.993 1049 G HN 0.290 nan 8.290 nan 0.000 0.564 1050 C N 2.816 122.114 119.300 -0.004 0.000 2.427 1050 C HA 0.117 4.576 4.460 -0.002 0.000 0.407 1050 C C -0.207 174.783 174.990 -0.001 0.000 1.327 1050 C CA -0.642 58.377 59.018 0.000 0.000 1.516 1050 C CB -0.685 27.054 27.740 -0.001 0.000 1.641 1050 C HN 0.557 nan 8.230 nan 0.000 0.596 1051 P HA 0.027 nan 4.420 nan 0.000 0.231 1051 P C -1.142 176.158 177.300 0.000 0.000 1.168 1051 P CA 0.228 63.327 63.100 -0.003 0.000 0.779 1051 P CB -0.715 30.983 31.700 -0.004 0.000 0.844 1052 P HA -0.225 nan 4.420 nan 0.000 0.298 1052 P C 0.802 178.091 177.300 -0.017 0.000 1.956 1052 P CA 1.000 64.117 63.100 0.028 0.000 1.750 1052 P CB -0.163 31.563 31.700 0.044 0.000 0.289 1053 L N -4.192 116.999 121.223 -0.053 0.000 3.829 1053 L HA -0.223 4.116 4.340 -0.002 0.000 0.440 1053 L C 1.046 177.779 176.870 -0.229 0.000 1.192 1053 L CA 1.356 56.056 54.840 -0.233 0.000 0.848 1053 L CB -2.798 39.147 42.059 -0.190 0.000 1.744 1053 L HN 0.570 nan 8.230 nan 0.000 0.920 1054 E N 0.619 120.765 120.200 -0.089 0.000 2.489 1054 E HA 0.117 4.466 4.350 -0.002 0.000 0.193 1054 E C 0.617 177.232 176.600 0.025 0.000 1.057 1054 E CA 0.130 56.517 56.400 -0.022 0.000 0.866 1054 E CB -0.027 29.699 29.700 0.045 0.000 0.916 1054 E HN 0.804 nan 8.360 nan 0.000 0.500 1055 F N 0.746 120.703 119.950 0.012 0.000 2.671 1055 F HA 0.660 5.186 4.527 -0.002 0.000 0.373 1055 F C -0.244 175.562 175.800 0.010 0.000 1.122 1055 F CA -1.884 56.120 58.000 0.007 0.000 1.082 1055 F CB 0.848 39.855 39.000 0.013 0.000 1.399 1055 F HN -0.180 nan 8.300 nan 0.000 0.509 1056 M N -0.078 119.719 119.600 0.328 0.000 2.457 1056 M HA 0.440 4.918 4.480 -0.002 0.000 0.300 1056 M C -1.194 175.275 176.300 0.282 0.000 1.141 1056 M CA -0.866 54.535 55.300 0.170 0.000 0.901 1056 M CB 2.101 34.754 32.600 0.088 0.000 1.687 1056 M HN 0.736 nan 8.290 nan 0.000 0.449 1057 Q N 1.615 121.521 119.800 0.177 0.000 3.464 1057 Q HA -0.007 4.332 4.340 -0.002 0.000 0.397 1057 Q C -1.144 174.945 176.000 0.148 0.000 1.094 1057 Q CA 0.820 56.724 55.803 0.169 0.000 1.107 1057 Q CB -0.160 28.637 28.738 0.099 0.000 1.235 1057 Q HN 0.614 nan 8.270 nan 0.000 0.547 1058 V N 3.773 123.766 119.914 0.131 0.000 2.655 1058 V HA 0.406 4.524 4.120 -0.002 0.000 0.301 1058 V C -0.153 175.939 176.094 -0.004 0.000 1.082 1058 V CA -0.889 61.433 62.300 0.036 0.000 0.899 1058 V CB 1.840 33.644 31.823 -0.032 0.000 1.014 1058 V HN 0.657 nan 8.190 nan 0.000 0.429 1059 R N 1.562 122.048 120.500 -0.024 0.000 2.700 1059 R HA 0.915 5.254 4.340 -0.002 0.000 0.253 1059 R C 0.742 176.846 176.300 -0.326 0.000 1.091 1059 R CA 0.271 56.348 56.100 -0.038 0.000 1.104 1059 R CB 1.959 32.328 30.300 0.115 0.000 1.202 1059 R HN 1.121 nan 8.270 nan 0.000 0.532 1060 G N 0.159 108.579 108.800 -0.633 0.000 2.130 1060 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.151 1060 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.151 1060 G C -1.213 172.974 174.900 -1.189 0.000 1.173 1060 G CA -0.661 43.425 45.100 -1.689 0.000 1.278 1060 G HN 0.354 nan 8.290 nan 0.000 0.479 1061 M N -0.262 118.896 119.600 -0.736 0.000 2.667 1061 M HA 0.767 5.246 4.480 -0.002 0.000 0.286 1061 M C -1.697 174.477 176.300 -0.211 0.000 1.270 1061 M CA -0.632 54.482 55.300 -0.310 0.000 0.826 1061 M CB 1.812 34.372 32.600 -0.067 0.000 1.743 1061 M HN 0.879 nan 8.290 nan 0.000 0.460 1062 L N 1.775 122.923 121.223 -0.125 0.000 2.471 1062 L HA 0.451 4.789 4.340 -0.002 0.000 0.263 1062 L C -0.610 176.117 176.870 -0.238 0.000 0.985 1062 L CA -0.141 54.631 54.840 -0.113 0.000 0.868 1062 L CB 0.886 42.930 42.059 -0.024 0.000 1.203 1062 L HN 0.555 nan 8.230 nan 0.000 0.429 1063 K N 2.536 122.682 120.400 -0.422 0.000 2.180 1063 K HA 0.816 5.135 4.320 -0.002 0.000 0.251 1063 K C -0.073 176.016 176.600 -0.851 0.000 1.014 1063 K CA -0.058 55.708 56.287 -0.868 0.000 0.913 1063 K CB 1.041 33.166 32.500 -0.626 0.000 1.008 1063 K HN 0.810 nan 8.250 nan 0.000 0.490 1064 G N 0.962 108.934 108.800 -1.381 0.000 2.443 1064 G HA2 0.392 4.351 3.960 -0.002 0.000 0.303 1064 G HA3 0.392 4.351 3.960 -0.002 0.000 0.303 1064 G C -1.869 172.302 174.900 -1.216 0.000 1.613 1064 G CA -0.856 43.521 45.100 -1.205 0.000 0.879 1064 G HN 0.267 nan 8.290 nan 0.000 0.632 1065 F N 1.467 121.157 119.950 -0.433 0.000 2.469 1065 F HA 0.645 5.171 4.527 -0.002 0.000 0.332 1065 F C 0.260 175.866 175.800 -0.324 0.000 1.103 1065 F CA -1.196 56.625 58.000 -0.298 0.000 0.979 1065 F CB 2.101 41.003 39.000 -0.163 0.000 1.137 1065 F HN 0.150 nan 8.300 nan 0.000 0.463 1066 I N 3.210 123.725 120.570 -0.093 0.000 2.328 1066 I HA 0.160 4.329 4.170 -0.002 0.000 0.287 1066 I C 0.732 176.863 176.117 0.023 0.000 1.012 1066 I CA -0.495 60.704 61.300 -0.168 0.000 1.195 1066 I CB 1.009 38.904 38.000 -0.175 0.000 1.350 1066 I HN 0.619 nan 8.210 nan 0.000 0.464 1067 D N 4.077 124.527 120.400 0.084 0.000 2.133 1067 D HA -0.157 4.482 4.640 -0.002 0.000 0.192 1067 D C 0.499 176.927 176.300 0.213 0.000 1.001 1067 D CA 1.936 56.061 54.000 0.208 0.000 0.844 1067 D CB 0.401 41.374 40.800 0.288 0.000 0.944 1067 D HN 0.361 nan 8.370 nan 0.000 0.447 1068 L N -0.982 120.311 121.223 0.117 0.000 2.591 1068 L HA 0.360 4.699 4.340 -0.002 0.000 0.257 1068 L C -1.845 175.132 176.870 0.178 0.000 0.935 1068 L CA -0.582 54.349 54.840 0.151 0.000 0.873 1068 L CB 2.355 44.517 42.059 0.172 0.000 1.397 1068 L HN -0.293 nan 8.230 nan 0.000 0.414 1069 V N 5.265 125.300 119.914 0.202 0.000 2.525 1069 V HA 0.701 4.819 4.120 -0.002 0.000 0.299 1069 V C -0.790 175.492 176.094 0.313 0.000 1.034 1069 V CA -0.320 62.098 62.300 0.196 0.000 0.863 1069 V CB 1.469 33.323 31.823 0.052 0.000 0.999 1069 V HN 0.718 nan 8.190 nan 0.000 0.423 1070 F N 3.512 123.600 119.950 0.230 0.000 2.650 1070 F HA 0.928 5.453 4.527 -0.002 0.000 0.320 1070 F C -0.512 175.534 175.800 0.411 0.000 1.091 1070 F CA -1.476 56.667 58.000 0.239 0.000 0.962 1070 F CB 1.727 40.810 39.000 0.138 0.000 1.363 1070 F HN 0.510 nan 8.300 nan 0.000 0.482 1071 R N 0.454 121.182 120.500 0.380 0.000 2.740 1071 R HA 0.535 4.874 4.340 -0.002 0.000 0.282 1071 R C -1.810 174.706 176.300 0.360 0.000 0.969 1071 R CA -0.937 55.322 56.100 0.265 0.000 0.918 1071 R CB 1.654 32.052 30.300 0.164 0.000 1.175 1071 R HN 0.881 nan 8.270 nan 0.000 0.464 1072 H N 2.199 121.369 119.070 0.167 0.000 2.336 1072 H HA 0.171 4.726 4.556 -0.002 0.000 0.230 1072 H C -0.939 174.434 175.328 0.076 0.000 1.426 1072 H CA -0.393 55.749 56.048 0.156 0.000 1.359 1072 H CB 0.029 29.891 29.762 0.166 0.000 1.555 1072 H HN 0.704 nan 8.280 nan 0.000 0.512 1073 E N 1.068 121.227 120.200 -0.070 0.000 3.301 1073 E HA -0.132 4.217 4.350 -0.002 0.000 0.171 1073 E C 0.612 177.144 176.600 -0.114 0.000 2.011 1073 E CA 1.336 57.665 56.400 -0.119 0.000 0.763 1073 E CB -1.860 27.726 29.700 -0.189 0.000 1.050 1073 E HN 1.062 nan 8.360 nan 0.000 0.342 1074 G N 2.513 111.233 108.800 -0.135 0.000 3.276 1074 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.679 1074 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.679 1074 G C -0.522 174.287 174.900 -0.152 0.000 0.911 1074 G CA 0.102 45.123 45.100 -0.131 0.000 0.797 1074 G HN 0.790 nan 8.290 nan 0.000 0.503 1075 R N 0.167 120.516 120.500 -0.252 0.000 1.144 1075 R HA -0.106 4.233 4.340 -0.002 0.000 0.425 1075 R C -0.871 175.256 176.300 -0.288 0.000 1.259 1075 R CA 0.044 56.010 56.100 -0.224 0.000 0.652 1075 R CB -1.563 28.706 30.300 -0.053 0.000 2.527 1075 R HN 0.825 nan 8.270 nan 0.000 0.514 1076 Y N 3.201 123.441 120.300 -0.099 0.000 2.387 1076 Y HA 0.595 5.143 4.550 -0.002 0.000 0.330 1076 Y C 0.558 176.268 175.900 -0.317 0.000 1.133 1076 Y CA -0.598 57.459 58.100 -0.072 0.000 1.152 1076 Y CB 1.354 39.836 38.460 0.036 0.000 1.215 1076 Y HN 0.352 nan 8.280 nan 0.000 0.466 1077 Y N 1.386 121.606 120.300 -0.133 0.000 2.598 1077 Y HA 0.583 5.132 4.550 -0.002 0.000 0.340 1077 Y C -1.128 174.778 175.900 0.010 0.000 1.038 1077 Y CA -1.297 56.698 58.100 -0.176 0.000 1.100 1077 Y CB 1.282 39.267 38.460 -0.791 0.000 1.281 1077 Y HN 0.311 nan 8.280 nan 0.000 0.488 1078 L N 2.659 124.067 121.223 0.308 0.000 2.316 1078 L HA 0.462 4.801 4.340 -0.002 0.000 0.280 1078 L C -1.262 175.753 176.870 0.241 0.000 1.006 1078 L CA -0.339 54.648 54.840 0.245 0.000 0.836 1078 L CB 1.277 43.495 42.059 0.266 0.000 1.221 1078 L HN 0.434 nan 8.230 nan 0.000 0.418 1079 L N 3.665 124.982 121.223 0.157 0.000 2.334 1079 L HA 0.665 5.004 4.340 -0.002 0.000 0.276 1079 L C -0.957 175.782 176.870 -0.219 0.000 1.014 1079 L CA 0.044 54.870 54.840 -0.023 0.000 0.815 1079 L CB 1.716 43.711 42.059 -0.107 0.000 1.268 1079 L HN 0.517 nan 8.230 nan 0.000 0.428 1080 D N 3.083 123.207 120.400 -0.460 0.000 2.476 1080 D HA 0.189 4.828 4.640 -0.002 0.000 0.251 1080 D C -1.460 174.470 176.300 -0.617 0.000 1.291 1080 D CA -0.220 53.432 54.000 -0.579 0.000 0.939 1080 D CB 0.616 40.782 40.800 -1.057 0.000 1.221 1080 D HN 0.371 nan 8.370 nan 0.000 0.567 1081 Y N 2.082 122.149 120.300 -0.388 0.000 2.377 1081 Y HA 0.262 4.811 4.550 -0.002 0.000 0.330 1081 Y C 0.996 176.644 175.900 -0.419 0.000 1.108 1081 Y CA -0.050 57.770 58.100 -0.467 0.000 1.308 1081 Y CB 0.910 39.015 38.460 -0.591 0.000 1.216 1081 Y HN -0.063 nan 8.280 nan 0.000 0.518 1082 K N 2.925 123.169 120.400 -0.260 0.000 2.575 1082 K HA 0.271 4.590 4.320 -0.002 0.000 0.236 1082 K C -0.676 175.900 176.600 -0.040 0.000 0.976 1082 K CA -0.465 55.692 56.287 -0.217 0.000 0.985 1082 K CB 1.326 33.439 32.500 -0.645 0.000 1.198 1082 K HN 0.757 nan 8.250 nan 0.000 0.464 1083 S N 2.465 118.236 115.700 0.118 0.000 2.564 1083 S HA 0.350 4.819 4.470 -0.002 0.000 0.278 1083 S C -0.183 174.583 174.600 0.278 0.000 1.333 1083 S CA -0.341 57.980 58.200 0.201 0.000 1.048 1083 S CB 0.607 63.946 63.200 0.232 0.000 0.900 1083 S HN 0.641 nan 8.310 nan 0.000 0.505 1084 N N 0.287 119.183 118.700 0.328 0.000 2.710 1084 N HA 0.398 5.137 4.740 -0.002 0.000 0.257 1084 N C -1.546 174.192 175.510 0.380 0.000 1.140 1084 N CA -0.381 52.954 53.050 0.475 0.000 0.953 1084 N CB 0.864 39.810 38.487 0.765 0.000 1.664 1084 N HN 1.050 nan 8.380 nan 0.000 0.497 1085 W N 2.862 124.378 121.300 0.360 0.000 2.805 1085 W HA -0.245 4.414 4.660 -0.002 0.000 0.216 1085 W C -1.798 174.910 176.519 0.315 0.000 0.660 1085 W CA -0.232 57.289 57.345 0.294 0.000 0.525 1085 W CB -0.346 29.264 29.460 0.251 0.000 2.092 1085 W HN 0.367 nan 8.180 nan 0.000 0.393 1086 L N 5.532 126.984 121.223 0.383 0.000 2.494 1086 L HA 0.397 4.736 4.340 -0.002 0.000 0.251 1086 L C 1.237 178.367 176.870 0.434 0.000 1.119 1086 L CA -0.079 54.922 54.840 0.269 0.000 1.026 1086 L CB -0.054 42.139 42.059 0.222 0.000 1.370 1086 L HN 0.776 nan 8.230 nan 0.000 0.426 1087 G N 1.045 110.186 108.800 0.569 0.000 3.515 1087 G HA2 0.227 4.186 3.960 -0.002 0.000 0.288 1087 G HA3 0.227 4.186 3.960 -0.002 0.000 0.288 1087 G C 0.645 175.788 174.900 0.406 0.000 1.012 1087 G CA -0.200 45.339 45.100 0.732 0.000 1.689 1087 G HN 0.556 nan 8.290 nan 0.000 0.572 1088 E N 0.665 121.009 120.200 0.240 0.000 3.676 1088 E HA -0.258 4.090 4.350 -0.002 0.000 0.424 1088 E C 0.189 176.754 176.600 -0.058 0.000 1.535 1088 E CA 2.153 58.617 56.400 0.107 0.000 1.478 1088 E CB -0.548 29.203 29.700 0.086 0.000 1.384 1088 E HN 0.559 nan 8.360 nan 0.000 0.349 1089 D N -2.317 118.014 120.400 -0.115 0.000 2.626 1089 D HA 0.220 4.859 4.640 -0.002 0.000 0.278 1089 D C 1.061 177.251 176.300 -0.185 0.000 1.211 1089 D CA 0.463 54.191 54.000 -0.453 0.000 0.903 1089 D CB 1.044 41.656 40.800 -0.314 0.000 1.408 1089 D HN 0.238 nan 8.370 nan 0.000 0.454 1090 S N 0.524 116.065 115.700 -0.265 0.000 2.692 1090 S HA -0.393 4.076 4.470 -0.002 0.000 0.347 1090 S C 1.831 176.548 174.600 0.196 0.000 1.359 1090 S CA 3.004 61.223 58.200 0.033 0.000 1.123 1090 S CB -1.703 61.480 63.200 -0.028 0.000 1.261 1090 S HN 0.644 nan 8.310 nan 0.000 0.445 1091 S N 2.672 118.437 115.700 0.109 0.000 2.462 1091 S HA -0.060 4.409 4.470 -0.002 0.000 0.251 1091 S C 1.656 176.346 174.600 0.150 0.000 1.018 1091 S CA 1.328 59.594 58.200 0.111 0.000 0.988 1091 S CB -1.007 62.234 63.200 0.068 0.000 0.766 1091 S HN 1.381 nan 8.310 nan 0.000 0.504 1092 A N -0.663 122.315 122.820 0.263 0.000 2.348 1092 A HA 0.468 4.786 4.320 -0.002 0.000 0.224 1092 A C 0.419 178.044 177.584 0.069 0.000 1.227 1092 A CA -0.306 51.858 52.037 0.212 0.000 0.885 1092 A CB -0.022 19.217 19.000 0.397 0.000 0.933 1092 A HN 0.543 nan 8.150 nan 0.000 0.506 1093 Y N 0.990 121.436 120.300 0.243 0.000 2.736 1093 Y HA 0.252 4.801 4.550 -0.002 0.000 0.293 1093 Y C 0.729 176.706 175.900 0.130 0.000 1.062 1093 Y CA -0.620 57.601 58.100 0.201 0.000 1.247 1093 Y CB -0.106 38.461 38.460 0.179 0.000 1.200 1093 Y HN 0.208 nan 8.280 nan 0.000 0.552 1094 T N -3.362 111.297 114.554 0.174 0.000 2.902 1094 T HA 0.140 4.488 4.350 -0.002 0.000 0.283 1094 T C 1.101 175.859 174.700 0.097 0.000 1.009 1094 T CA -0.782 61.401 62.100 0.137 0.000 1.051 1094 T CB 1.675 70.607 68.868 0.107 0.000 0.999 1094 T HN 0.087 nan 8.240 nan 0.000 0.474 1095 Q N 0.859 120.736 119.800 0.128 0.000 2.407 1095 Q HA -0.281 4.058 4.340 -0.002 0.000 0.217 1095 Q C 1.791 177.856 176.000 0.108 0.000 1.000 1095 Q CA 2.059 57.954 55.803 0.152 0.000 0.940 1095 Q CB -0.305 28.517 28.738 0.140 0.000 0.930 1095 Q HN 0.844 nan 8.270 nan 0.000 0.433 1096 Q N -0.988 118.838 119.800 0.044 0.000 2.123 1096 Q HA 0.119 4.458 4.340 -0.002 0.000 0.193 1096 Q C 2.181 178.138 176.000 -0.073 0.000 0.981 1096 Q CA 0.679 56.482 55.803 -0.000 0.000 0.833 1096 Q CB -0.284 28.451 28.738 -0.005 0.000 0.914 1096 Q HN 0.357 nan 8.270 nan 0.000 0.484 1097 A N 1.261 124.029 122.820 -0.088 0.000 1.929 1097 A HA -0.326 3.993 4.320 -0.002 0.000 0.221 1097 A C 2.111 179.519 177.584 -0.294 0.000 1.211 1097 A CA 2.287 54.218 52.037 -0.177 0.000 0.657 1097 A CB -0.823 18.096 19.000 -0.135 0.000 0.827 1097 A HN 0.357 nan 8.150 nan 0.000 0.462 1098 M N -1.081 118.356 119.600 -0.271 0.000 2.066 1098 M HA -0.135 4.344 4.480 -0.002 0.000 0.259 1098 M C 2.600 178.634 176.300 -0.444 0.000 1.074 1098 M CA 1.590 56.612 55.300 -0.464 0.000 1.114 1098 M CB -0.588 31.799 32.600 -0.354 0.000 1.306 1098 M HN 0.464 nan 8.290 nan 0.000 0.411 1099 A N 0.492 123.116 122.820 -0.325 0.000 2.042 1099 A HA -0.163 4.156 4.320 -0.002 0.000 0.222 1099 A C 2.292 179.740 177.584 -0.228 0.000 1.167 1099 A CA 2.152 54.020 52.037 -0.281 0.000 0.649 1099 A CB -0.987 18.010 19.000 -0.004 0.000 0.809 1099 A HN 0.569 nan 8.150 nan 0.000 0.457 1100 A N -0.169 122.517 122.820 -0.223 0.000 1.825 1100 A HA 0.206 4.524 4.320 -0.002 0.000 0.214 1100 A C 2.577 180.009 177.584 -0.254 0.000 1.206 1100 A CA 2.174 54.086 52.037 -0.208 0.000 0.609 1100 A CB -1.409 17.463 19.000 -0.214 0.000 0.851 1100 A HN 1.254 nan 8.150 nan 0.000 0.445 1101 A N -0.924 121.677 122.820 -0.366 0.000 1.958 1101 A HA -0.257 4.062 4.320 -0.002 0.000 0.221 1101 A C 2.182 179.520 177.584 -0.410 0.000 1.178 1101 A CA 2.351 54.116 52.037 -0.453 0.000 0.642 1101 A CB -0.667 17.979 19.000 -0.590 0.000 0.816 1101 A HN 0.483 nan 8.150 nan 0.000 0.453 1102 M N -1.155 118.288 119.600 -0.263 0.000 2.108 1102 M HA -0.256 4.223 4.480 -0.002 0.000 0.257 1102 M C 2.228 178.450 176.300 -0.130 0.000 1.071 1102 M CA 2.066 57.289 55.300 -0.128 0.000 1.093 1102 M CB -1.274 31.171 32.600 -0.259 0.000 1.345 1102 M HN 0.583 nan 8.290 nan 0.000 0.403 1103 Q N -1.026 118.692 119.800 -0.137 0.000 2.212 1103 Q HA 0.081 4.420 4.340 -0.002 0.000 0.199 1103 Q C 2.175 178.150 176.000 -0.042 0.000 0.950 1103 Q CA 1.102 56.860 55.803 -0.075 0.000 0.863 1103 Q CB -0.085 28.612 28.738 -0.070 0.000 0.944 1103 Q HN 0.561 nan 8.270 nan 0.000 0.465 1104 A N 0.650 123.441 122.820 -0.049 0.000 1.883 1104 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 1104 A C 1.181 178.850 177.584 0.142 0.000 1.186 1104 A CA 1.527 53.602 52.037 0.062 0.000 0.624 1104 A CB -0.742 18.339 19.000 0.134 0.000 0.822 1104 A HN 0.513 nan 8.150 nan 0.000 0.444 1105 H N -1.629 117.282 119.070 -0.265 0.000 2.517 1105 H HA 0.219 4.773 4.556 -0.002 0.000 0.282 1105 H C -0.153 175.099 175.328 -0.127 0.000 1.023 1105 H CA -0.484 55.365 56.048 -0.331 0.000 1.169 1105 H CB 0.203 29.432 29.762 -0.887 0.000 1.454 1105 H HN 0.290 nan 8.280 nan 0.000 0.556 1106 R N 0.382 120.927 120.500 0.075 0.000 3.460 1106 R HA -0.263 4.076 4.340 -0.002 0.000 0.254 1106 R C -0.075 176.413 176.300 0.312 0.000 1.028 1106 R CA 0.462 56.656 56.100 0.157 0.000 0.688 1106 R CB -2.518 27.895 30.300 0.188 0.000 1.062 1106 R HN 0.678 nan 8.270 nan 0.000 0.463 1107 Y N 0.660 121.111 120.300 0.251 0.000 2.333 1107 Y HA -0.248 4.300 4.550 -0.002 0.000 0.290 1107 Y C 2.500 178.529 175.900 0.216 0.000 1.144 1107 Y CA 0.862 59.135 58.100 0.288 0.000 1.228 1107 Y CB -0.073 38.634 38.460 0.412 0.000 0.985 1107 Y HN 0.394 nan 8.280 nan 0.000 0.542 1108 D N 0.772 121.212 120.400 0.068 0.000 2.203 1108 D HA -0.266 4.373 4.640 -0.002 0.000 0.199 1108 D C 2.014 178.315 176.300 0.003 0.000 0.997 1108 D CA 1.154 54.967 54.000 -0.312 0.000 0.863 1108 D CB -0.717 39.946 40.800 -0.228 0.000 0.928 1108 D HN 0.421 nan 8.370 nan 0.000 0.458 1109 L N 0.135 121.408 121.223 0.083 0.000 2.046 1109 L HA -0.231 4.108 4.340 -0.002 0.000 0.208 1109 L C 2.988 179.811 176.870 -0.079 0.000 1.077 1109 L CA 1.424 56.303 54.840 0.066 0.000 0.747 1109 L CB -0.354 41.818 42.059 0.188 0.000 0.896 1109 L HN 0.100 nan 8.230 nan 0.000 0.432 1110 Q N -1.162 118.452 119.800 -0.310 0.000 2.077 1110 Q HA -0.266 4.073 4.340 -0.002 0.000 0.206 1110 Q C 2.073 177.796 176.000 -0.462 0.000 0.989 1110 Q CA 2.291 57.645 55.803 -0.749 0.000 0.853 1110 Q CB -0.194 28.019 28.738 -0.875 0.000 0.907 1110 Q HN 0.455 nan 8.270 nan 0.000 0.418 1111 Y N 0.721 120.858 120.300 -0.272 0.000 2.006 1111 Y HA -0.344 4.205 4.550 -0.002 0.000 0.266 1111 Y C 2.461 178.361 175.900 0.000 0.000 1.133 1111 Y CA 1.898 59.966 58.100 -0.054 0.000 1.098 1111 Y CB -1.126 37.316 38.460 -0.030 0.000 0.969 1111 Y HN 0.230 nan 8.280 nan 0.000 0.482 1112 Q N -0.031 119.903 119.800 0.224 0.000 2.082 1112 Q HA -0.232 4.106 4.340 -0.002 0.000 0.211 1112 Q C 2.350 178.385 176.000 0.058 0.000 1.002 1112 Q CA 2.332 58.207 55.803 0.119 0.000 0.868 1112 Q CB -0.718 28.067 28.738 0.079 0.000 0.931 1112 Q HN 0.482 nan 8.270 nan 0.000 0.414 1113 L N -0.662 120.569 121.223 0.013 0.000 1.989 1113 L HA -0.225 4.114 4.340 -0.002 0.000 0.211 1113 L C 2.435 179.322 176.870 0.027 0.000 1.071 1113 L CA 1.582 56.429 54.840 0.013 0.000 0.749 1113 L CB -0.736 41.334 42.059 0.018 0.000 0.890 1113 L HN 0.359 nan 8.230 nan 0.000 0.431 1114 Y N 0.284 120.516 120.300 -0.114 0.000 2.151 1114 Y HA -0.328 4.221 4.550 -0.002 0.000 0.284 1114 Y C 3.127 178.876 175.900 -0.252 0.000 1.166 1114 Y CA 1.403 59.373 58.100 -0.217 0.000 1.163 1114 Y CB -0.418 38.008 38.460 -0.057 0.000 0.974 1114 Y HN 0.416 nan 8.280 nan 0.000 0.511 1115 T N -1.207 113.384 114.554 0.062 0.000 2.951 1115 T HA -0.150 4.199 4.350 -0.002 0.000 0.268 1115 T C 1.795 176.451 174.700 -0.073 0.000 1.073 1115 T CA 0.608 62.676 62.100 -0.053 0.000 1.134 1115 T CB -0.558 68.368 68.868 0.097 0.000 0.884 1115 T HN 0.390 nan 8.240 nan 0.000 0.479 1116 L N 0.361 121.560 121.223 -0.040 0.000 2.131 1116 L HA 0.068 4.407 4.340 -0.002 0.000 0.210 1116 L C 2.821 179.652 176.870 -0.066 0.000 1.092 1116 L CA 1.542 56.379 54.840 -0.006 0.000 0.759 1116 L CB -0.915 41.136 42.059 -0.012 0.000 0.903 1116 L HN 0.467 nan 8.230 nan 0.000 0.435 1117 A N 0.051 122.704 122.820 -0.278 0.000 1.840 1117 A HA -0.191 4.128 4.320 -0.002 0.000 0.214 1117 A C 2.198 179.613 177.584 -0.283 0.000 1.198 1117 A CA 1.261 53.010 52.037 -0.480 0.000 0.608 1117 A CB -0.830 17.385 19.000 -1.309 0.000 0.839 1117 A HN 0.437 nan 8.150 nan 0.000 0.443 1118 L N -0.955 120.099 121.223 -0.281 0.000 2.079 1118 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 1118 L C 2.619 179.377 176.870 -0.186 0.000 1.081 1118 L CA 2.333 57.037 54.840 -0.226 0.000 0.752 1118 L CB -0.581 41.298 42.059 -0.300 0.000 0.896 1118 L HN 0.755 nan 8.230 nan 0.000 0.433 1119 H N 0.265 119.188 119.070 -0.246 0.000 2.280 1119 H HA -0.198 4.357 4.556 -0.002 0.000 0.294 1119 H C 2.368 177.613 175.328 -0.139 0.000 1.064 1119 H CA 2.037 58.028 56.048 -0.095 0.000 1.208 1119 H CB -0.094 29.707 29.762 0.065 0.000 1.365 1119 H HN 0.028 nan 8.280 nan 0.000 0.511 1120 R N -0.665 119.721 120.500 -0.190 0.000 2.133 1120 R HA -0.255 4.084 4.340 -0.002 0.000 0.245 1120 R C 2.457 178.632 176.300 -0.208 0.000 1.137 1120 R CA 1.982 57.950 56.100 -0.221 0.000 0.947 1120 R CB -1.421 28.845 30.300 -0.056 0.000 0.865 1120 R HN 0.499 nan 8.270 nan 0.000 0.437 1121 Y N 1.740 121.879 120.300 -0.268 0.000 2.081 1121 Y HA -0.229 4.320 4.550 -0.002 0.000 0.280 1121 Y C 2.344 178.046 175.900 -0.330 0.000 1.163 1121 Y CA 1.677 59.633 58.100 -0.239 0.000 1.135 1121 Y CB -0.563 37.762 38.460 -0.224 0.000 0.970 1121 Y HN -0.033 nan 8.280 nan 0.000 0.498 1122 L N -0.110 120.794 121.223 -0.532 0.000 1.989 1122 L HA -0.276 4.063 4.340 -0.002 0.000 0.211 1122 L C 2.734 178.975 176.870 -1.048 0.000 1.071 1122 L CA 2.004 56.331 54.840 -0.856 0.000 0.749 1122 L CB -0.717 40.833 42.059 -0.848 0.000 0.890 1122 L HN 0.175 nan 8.230 nan 0.000 0.431 1123 R N -0.568 119.216 120.500 -1.193 0.000 2.117 1123 R HA -0.274 4.065 4.340 -0.002 0.000 0.243 1123 R C 2.386 178.465 176.300 -0.368 0.000 1.143 1123 R CA 2.079 57.740 56.100 -0.731 0.000 0.968 1123 R CB -0.317 29.730 30.300 -0.422 0.000 0.863 1123 R HN 0.415 nan 8.270 nan 0.000 0.444 1124 H N -0.370 118.434 119.070 -0.444 0.000 2.428 1124 H HA 0.070 4.624 4.556 -0.002 0.000 0.296 1124 H C 1.810 176.916 175.328 -0.370 0.000 1.062 1124 H CA 1.281 57.133 56.048 -0.326 0.000 1.350 1124 H CB 0.284 29.883 29.762 -0.272 0.000 1.403 1124 H HN 0.023 nan 8.280 nan 0.000 0.533 1125 R N 0.015 120.174 120.500 -0.569 0.000 2.057 1125 R HA 0.080 4.418 4.340 -0.002 0.000 0.224 1125 R C 0.235 176.300 176.300 -0.391 0.000 1.136 1125 R CA 0.266 56.031 56.100 -0.557 0.000 0.968 1125 R CB -0.445 29.416 30.300 -0.732 0.000 0.863 1125 R HN 0.198 nan 8.270 nan 0.000 0.433 1126 I N 2.291 122.636 120.570 -0.376 0.000 2.471 1126 I HA 0.040 4.209 4.170 -0.002 0.000 0.294 1126 I C 0.175 176.206 176.117 -0.143 0.000 1.123 1126 I CA -0.427 60.742 61.300 -0.218 0.000 1.336 1126 I CB 0.153 38.035 38.000 -0.197 0.000 1.430 1126 I HN 0.057 nan 8.210 nan 0.000 0.533 1127 A N 4.973 127.723 122.820 -0.117 0.000 2.515 1127 A HA 0.227 4.546 4.320 -0.002 0.000 0.263 1127 A C 0.587 178.167 177.584 -0.006 0.000 1.096 1127 A CA -0.021 51.972 52.037 -0.074 0.000 0.769 1127 A CB -0.499 18.457 19.000 -0.073 0.000 1.040 1127 A HN 0.812 nan 8.150 nan 0.000 0.505 1128 D N -0.131 120.290 120.400 0.034 0.000 3.241 1128 D HA -0.184 4.455 4.640 -0.002 0.000 0.248 1128 D C -0.726 175.663 176.300 0.148 0.000 1.093 1128 D CA 1.628 55.679 54.000 0.085 0.000 0.940 1128 D CB -1.401 39.434 40.800 0.060 0.000 0.980 1128 D HN 0.846 nan 8.370 nan 0.000 0.421 1129 Y N 1.126 121.429 120.300 0.005 0.000 2.509 1129 Y HA 0.653 5.201 4.550 -0.002 0.000 0.341 1129 Y C -1.108 174.935 175.900 0.239 0.000 1.038 1129 Y CA -1.250 56.841 58.100 -0.015 0.000 1.089 1129 Y CB 1.764 40.071 38.460 -0.255 0.000 1.241 1129 Y HN 0.096 nan 8.280 nan 0.000 0.468 1130 D N 3.779 124.044 120.400 -0.225 0.000 2.787 1130 D HA 0.048 4.687 4.640 -0.002 0.000 0.246 1130 D C 0.049 176.006 176.300 -0.572 0.000 1.150 1130 D CA -0.455 53.346 54.000 -0.331 0.000 0.864 1130 D CB 1.366 42.213 40.800 0.078 0.000 1.481 1130 D HN 0.849 nan 8.370 nan 0.000 0.509 1131 Y N 3.613 123.582 120.300 -0.551 0.000 2.139 1131 Y HA -0.230 4.319 4.550 -0.002 0.000 0.282 1131 Y C 1.482 177.368 175.900 -0.023 0.000 1.179 1131 Y CA 1.915 59.950 58.100 -0.109 0.000 1.161 1131 Y CB 0.359 38.893 38.460 0.122 0.000 0.970 1131 Y HN 0.496 nan 8.280 nan 0.000 0.511 1132 E N -1.489 118.699 120.200 -0.019 0.000 2.394 1132 E HA 0.009 4.358 4.350 -0.002 0.000 0.191 1132 E C 0.422 176.763 176.600 -0.432 0.000 1.044 1132 E CA -0.056 56.234 56.400 -0.183 0.000 0.939 1132 E CB 0.086 29.708 29.700 -0.130 0.000 1.089 1132 E HN 0.523 nan 8.360 nan 0.000 0.456 1133 H N -1.894 117.026 119.070 -0.250 0.000 3.360 1133 H HA 0.198 4.753 4.556 -0.002 0.000 0.262 1133 H C 0.782 175.753 175.328 -0.596 0.000 1.149 1133 H CA 0.351 56.136 56.048 -0.437 0.000 1.181 1133 H CB 0.774 30.192 29.762 -0.572 0.000 1.564 1133 H HN 0.268 nan 8.280 nan 0.000 0.565 1134 H N -1.967 117.106 119.070 0.006 0.000 3.583 1134 H HA 0.062 4.617 4.556 -0.002 0.000 0.251 1134 H C 1.250 176.629 175.328 0.086 0.000 1.060 1134 H CA -0.216 55.872 56.048 0.066 0.000 1.159 1134 H CB 0.897 30.842 29.762 0.305 0.000 1.496 1134 H HN 0.142 nan 8.280 nan 0.000 0.540 1135 F N 1.868 121.735 119.950 -0.140 0.000 2.261 1135 F HA 0.326 4.851 4.527 -0.002 0.000 0.262 1135 F C 1.048 176.587 175.800 -0.436 0.000 1.304 1135 F CA 0.767 58.580 58.000 -0.313 0.000 1.054 1135 F CB 0.084 38.653 39.000 -0.719 0.000 0.988 1135 F HN 0.244 nan 8.300 nan 0.000 0.551 1136 G N 1.392 109.448 108.800 -1.240 0.000 2.392 1136 G HA2 0.009 3.968 3.960 -0.002 0.000 0.290 1136 G HA3 0.009 3.968 3.960 -0.002 0.000 0.290 1136 G C -0.285 173.885 174.900 -1.217 0.000 1.032 1136 G CA 0.197 44.655 45.100 -1.070 0.000 1.269 1136 G HN 1.018 nan 8.290 nan 0.000 0.511 1137 G N -1.667 106.267 108.800 -1.444 0.000 3.264 1137 G HA2 0.838 4.797 3.960 -0.002 0.000 0.168 1137 G HA3 0.838 4.797 3.960 -0.002 0.000 0.168 1137 G C 0.260 175.173 174.900 0.021 0.000 1.145 1137 G CA 0.417 45.255 45.100 -0.437 0.000 0.855 1137 G HN 1.780 nan 8.290 nan 0.000 0.629 1138 V N 0.660 120.752 119.914 0.295 0.000 3.964 1138 V HA -0.124 3.994 4.120 -0.002 0.000 0.444 1138 V C -0.959 175.324 176.094 0.315 0.000 0.680 1138 V CA -0.236 62.254 62.300 0.316 0.000 1.854 1138 V CB -1.972 30.041 31.823 0.316 0.000 2.264 1138 V HN 0.616 nan 8.190 nan 0.000 0.491 1139 I N 4.782 125.563 120.570 0.352 0.000 2.569 1139 I HA 0.582 4.751 4.170 -0.002 0.000 0.296 1139 I C -0.281 176.087 176.117 0.418 0.000 1.028 1139 I CA -0.898 60.594 61.300 0.319 0.000 1.082 1139 I CB 2.035 40.160 38.000 0.208 0.000 1.264 1139 I HN 0.563 nan 8.210 nan 0.000 0.429 1140 Y N 5.189 125.602 120.300 0.188 0.000 2.488 1140 Y HA 0.416 4.965 4.550 -0.002 0.000 0.330 1140 Y C -0.310 175.713 175.900 0.205 0.000 1.013 1140 Y CA -0.598 57.605 58.100 0.172 0.000 1.304 1140 Y CB 1.558 40.252 38.460 0.390 0.000 1.098 1140 Y HN 0.328 nan 8.280 nan 0.000 0.498 1141 L N 5.003 126.223 121.223 -0.004 0.000 2.363 1141 L HA 0.222 4.561 4.340 -0.002 0.000 0.286 1141 L C -0.715 176.176 176.870 0.035 0.000 1.106 1141 L CA -0.197 54.669 54.840 0.042 0.000 0.859 1141 L CB -0.053 41.916 42.059 -0.149 0.000 1.223 1141 L HN 0.517 nan 8.230 nan 0.000 0.446 1142 F N 4.045 124.125 119.950 0.217 0.000 2.464 1142 F HA 0.122 4.648 4.527 -0.002 0.000 0.353 1142 F C 1.394 177.322 175.800 0.214 0.000 1.191 1142 F CA -0.211 57.955 58.000 0.277 0.000 1.147 1142 F CB 0.297 39.561 39.000 0.440 0.000 1.294 1142 F HN 0.439 nan 8.300 nan 0.000 0.583 1143 L N 1.949 123.296 121.223 0.207 0.000 2.085 1143 L HA -0.267 4.072 4.340 -0.002 0.000 0.218 1143 L C 1.613 178.771 176.870 0.479 0.000 1.080 1143 L CA 1.607 56.576 54.840 0.216 0.000 0.776 1143 L CB -0.397 41.689 42.059 0.044 0.000 0.891 1143 L HN 0.485 nan 8.230 nan 0.000 0.437 1144 R N -1.057 119.619 120.500 0.294 0.000 2.580 1144 R HA 0.332 4.671 4.340 -0.002 0.000 0.267 1144 R C 1.032 176.982 176.300 -0.583 0.000 1.125 1144 R CA 0.304 56.240 56.100 -0.273 0.000 1.188 1144 R CB 0.003 29.968 30.300 -0.558 0.000 1.155 1144 R HN 0.191 nan 8.270 nan 0.000 0.586 1145 G N -0.365 107.901 108.800 -0.889 0.000 2.198 1145 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.260 1145 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.260 1145 G C -0.418 174.439 174.900 -0.071 0.000 1.025 1145 G CA 0.109 44.908 45.100 -0.502 0.000 0.769 1145 G HN 0.315 nan 8.290 nan 0.000 0.507 1146 V N 1.054 120.943 119.914 -0.040 0.000 2.349 1146 V HA 0.447 4.566 4.120 -0.002 0.000 0.284 1146 V C -0.544 175.590 176.094 0.068 0.000 1.014 1146 V CA -0.951 61.403 62.300 0.090 0.000 0.826 1146 V CB 1.623 33.563 31.823 0.194 0.000 1.009 1146 V HN 0.286 nan 8.190 nan 0.000 0.431 1147 D N 3.069 123.516 120.400 0.079 0.000 2.299 1147 D HA 0.381 5.020 4.640 -0.002 0.000 0.243 1147 D C 0.629 177.043 176.300 0.191 0.000 0.982 1147 D CA -0.655 53.413 54.000 0.114 0.000 0.924 1147 D CB 2.468 43.297 40.800 0.048 0.000 1.238 1147 D HN 0.254 nan 8.370 nan 0.000 0.484 1148 K N 0.242 120.740 120.400 0.164 0.000 2.147 1148 K HA -0.071 4.247 4.320 -0.002 0.000 0.205 1148 K C 0.424 177.081 176.600 0.094 0.000 1.049 1148 K CA 1.151 57.504 56.287 0.109 0.000 0.936 1148 K CB 0.235 32.782 32.500 0.077 0.000 0.722 1148 K HN 0.239 nan 8.250 nan 0.000 0.446 1149 E N 0.596 120.878 120.200 0.136 0.000 3.666 1149 E HA 0.159 4.508 4.350 -0.002 0.000 0.230 1149 E C -1.099 175.158 176.600 -0.570 0.000 1.235 1149 E CA -0.163 56.163 56.400 -0.122 0.000 1.096 1149 E CB 0.668 30.256 29.700 -0.188 0.000 1.287 1149 E HN 0.285 nan 8.360 nan 0.000 0.406 1150 H N -0.760 118.331 119.070 0.036 0.000 3.383 1150 H HA 0.129 4.684 4.556 -0.002 0.000 0.204 1150 H C -2.488 172.873 175.328 0.056 0.000 1.262 1150 H CA -0.986 55.090 56.048 0.046 0.000 1.350 1150 H CB 0.062 29.855 29.762 0.052 0.000 2.400 1150 H HN 0.193 nan 8.280 nan 0.000 0.547 1151 P HA -0.064 nan 4.420 nan 0.000 0.271 1151 P C 0.150 177.517 177.300 0.112 0.000 1.233 1151 P CA 0.363 63.520 63.100 0.095 0.000 0.795 1151 P CB 0.989 32.719 31.700 0.051 0.000 0.936 1152 Q N -3.308 116.558 119.800 0.111 0.000 2.406 1152 Q HA -0.254 4.085 4.340 -0.002 0.000 0.236 1152 Q C 0.158 176.255 176.000 0.161 0.000 0.799 1152 Q CA 1.191 57.069 55.803 0.125 0.000 1.286 1152 Q CB -1.428 27.369 28.738 0.098 0.000 1.615 1152 Q HN 0.597 nan 8.270 nan 0.000 0.621 1153 Q N -1.173 118.733 119.800 0.176 0.000 2.341 1153 Q HA 0.429 4.768 4.340 -0.002 0.000 0.268 1153 Q C 0.754 176.890 176.000 0.228 0.000 1.013 1153 Q CA 0.611 56.537 55.803 0.205 0.000 0.798 1153 Q CB 1.332 30.186 28.738 0.193 0.000 1.253 1153 Q HN 0.342 nan 8.270 nan 0.000 0.457 1154 G N 3.624 112.604 108.800 0.300 0.000 2.313 1154 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.215 1154 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.215 1154 G C 0.027 175.170 174.900 0.405 0.000 1.023 1154 G CA 0.099 45.419 45.100 0.366 0.000 0.626 1154 G HN 0.700 nan 8.290 nan 0.000 0.503 1155 I N -1.104 119.657 120.570 0.318 0.000 2.498 1155 I HA 0.869 5.038 4.170 -0.002 0.000 0.301 1155 I C -0.690 175.672 176.117 0.409 0.000 0.984 1155 I CA -1.535 59.963 61.300 0.330 0.000 1.204 1155 I CB 1.767 39.883 38.000 0.193 0.000 1.362 1155 I HN 0.161 nan 8.210 nan 0.000 0.471 1156 Y N 4.160 124.645 120.300 0.310 0.000 2.457 1156 Y HA 0.611 5.160 4.550 -0.002 0.000 0.343 1156 Y C -1.214 174.852 175.900 0.277 0.000 0.994 1156 Y CA -0.339 57.936 58.100 0.292 0.000 1.031 1156 Y CB 2.196 40.892 38.460 0.393 0.000 1.246 1156 Y HN 0.757 nan 8.280 nan 0.000 0.449 1157 T N 3.873 118.276 114.554 -0.252 0.000 2.900 1157 T HA 0.748 5.097 4.350 -0.002 0.000 0.295 1157 T C -1.100 173.436 174.700 -0.274 0.000 1.044 1157 T CA -0.751 61.279 62.100 -0.116 0.000 0.995 1157 T CB 1.925 70.786 68.868 -0.011 0.000 1.072 1157 T HN 0.601 nan 8.240 nan 0.000 0.473 1158 T N 1.470 115.992 114.554 -0.054 0.000 2.843 1158 T HA 0.692 5.041 4.350 -0.002 0.000 0.302 1158 T C -1.076 173.637 174.700 0.021 0.000 1.232 1158 T CA -0.916 61.166 62.100 -0.030 0.000 1.009 1158 T CB 1.987 70.893 68.868 0.063 0.000 1.254 1158 T HN 0.443 nan 8.240 nan 0.000 0.504 1159 R N 1.830 122.333 120.500 0.005 0.000 2.684 1159 R HA 0.411 4.750 4.340 -0.002 0.000 0.252 1159 R C -2.994 173.352 176.300 0.076 0.000 1.628 1159 R CA -1.882 54.192 56.100 -0.044 0.000 1.622 1159 R CB -0.712 29.507 30.300 -0.135 0.000 1.418 1159 R HN 0.351 nan 8.270 nan 0.000 0.697 1160 P HA -0.120 nan 4.420 nan 0.000 0.262 1160 P C -0.163 177.237 177.300 0.166 0.000 1.126 1160 P CA 0.625 63.847 63.100 0.204 0.000 0.755 1160 P CB 0.559 32.441 31.700 0.303 0.000 0.716 1161 N N 3.803 122.566 118.700 0.105 0.000 2.471 1161 N HA -0.267 4.472 4.740 -0.002 0.000 0.198 1161 N C 1.481 176.979 175.510 -0.020 0.000 1.016 1161 N CA 1.518 54.627 53.050 0.099 0.000 0.915 1161 N CB -0.450 38.198 38.487 0.268 0.000 0.948 1161 N HN 0.612 nan 8.380 nan 0.000 0.453 1162 A N -2.255 120.428 122.820 -0.228 0.000 4.529 1162 A HA -0.261 4.058 4.320 -0.002 0.000 0.259 1162 A C 1.859 179.190 177.584 -0.421 0.000 0.736 1162 A CA 2.049 53.724 52.037 -0.603 0.000 1.138 1162 A CB -2.106 16.744 19.000 -0.249 0.000 1.079 1162 A HN 0.537 nan 8.150 nan 0.000 0.725 1163 G N -1.704 106.953 108.800 -0.239 0.000 2.833 1163 G HA2 0.365 4.323 3.960 -0.002 0.000 0.210 1163 G HA3 0.365 4.323 3.960 -0.002 0.000 0.210 1163 G C 1.279 175.798 174.900 -0.635 0.000 1.139 1163 G CA 0.850 45.816 45.100 -0.222 0.000 0.771 1163 G HN 0.693 nan 8.290 nan 0.000 0.535 1164 L N 0.416 121.227 121.223 -0.688 0.000 2.071 1164 L HA 0.083 4.422 4.340 -0.002 0.000 0.201 1164 L C 2.637 179.232 176.870 -0.459 0.000 1.076 1164 L CA 0.583 54.958 54.840 -0.775 0.000 0.755 1164 L CB -0.162 41.648 42.059 -0.415 0.000 0.915 1164 L HN 0.000 nan 8.230 nan 0.000 0.445 1165 I N 0.781 121.110 120.570 -0.402 0.000 2.145 1165 I HA -0.341 3.828 4.170 -0.002 0.000 0.244 1165 I C 2.884 178.793 176.117 -0.347 0.000 1.075 1165 I CA 1.636 62.700 61.300 -0.393 0.000 1.332 1165 I CB -1.855 35.750 38.000 -0.658 0.000 1.033 1165 I HN 0.333 nan 8.210 nan 0.000 0.410 1166 A N 1.575 124.170 122.820 -0.374 0.000 1.848 1166 A HA -0.236 4.082 4.320 -0.002 0.000 0.217 1166 A C 2.414 179.903 177.584 -0.158 0.000 1.220 1166 A CA 2.077 53.980 52.037 -0.224 0.000 0.645 1166 A CB -1.200 17.677 19.000 -0.205 0.000 0.842 1166 A HN 0.419 nan 8.150 nan 0.000 0.451 1167 L N -1.596 119.501 121.223 -0.209 0.000 2.013 1167 L HA -0.276 4.063 4.340 -0.002 0.000 0.212 1167 L C 2.893 179.705 176.870 -0.098 0.000 1.073 1167 L CA 2.179 56.929 54.840 -0.150 0.000 0.753 1167 L CB -0.613 41.322 42.059 -0.207 0.000 0.890 1167 L HN 0.616 nan 8.230 nan 0.000 0.432 1168 M N 0.221 119.744 119.600 -0.127 0.000 2.065 1168 M HA -0.282 4.197 4.480 -0.002 0.000 0.259 1168 M C 2.001 178.314 176.300 0.022 0.000 1.069 1168 M CA 2.319 57.588 55.300 -0.051 0.000 1.110 1168 M CB -0.247 32.307 32.600 -0.077 0.000 1.328 1168 M HN 0.205 nan 8.290 nan 0.000 0.405 1169 D N 0.228 120.640 120.400 0.019 0.000 2.116 1169 D HA -0.251 4.388 4.640 -0.002 0.000 0.193 1169 D C 1.560 177.932 176.300 0.119 0.000 0.998 1169 D CA 2.053 56.123 54.000 0.117 0.000 0.836 1169 D CB -0.227 40.664 40.800 0.152 0.000 0.951 1169 D HN 0.739 nan 8.370 nan 0.000 0.449 1170 E N -0.524 119.696 120.200 0.033 0.000 2.489 1170 E HA -0.047 4.301 4.350 -0.002 0.000 0.193 1170 E C 2.132 178.714 176.600 -0.031 0.000 1.057 1170 E CA -0.025 56.359 56.400 -0.028 0.000 0.866 1170 E CB -0.488 29.189 29.700 -0.038 0.000 0.916 1170 E HN 0.385 nan 8.360 nan 0.000 0.500 1171 M N 0.760 120.376 119.600 0.027 0.000 2.419 1171 M HA 0.004 4.483 4.480 -0.002 0.000 0.264 1171 M C 1.591 177.956 176.300 0.107 0.000 1.082 1171 M CA 0.847 56.175 55.300 0.046 0.000 1.119 1171 M CB -0.068 32.565 32.600 0.055 0.000 1.398 1171 M HN 0.213 nan 8.290 nan 0.000 0.453 1172 F N 1.263 121.228 119.950 0.025 0.000 2.025 1172 F HA 0.195 4.720 4.527 -0.002 0.000 0.291 1172 F C 2.019 177.842 175.800 0.038 0.000 1.150 1172 F CA 1.633 59.652 58.000 0.032 0.000 1.166 1172 F CB -1.316 37.704 39.000 0.033 0.000 0.995 1172 F HN 0.066 nan 8.300 nan 0.000 0.474 1173 A N 0.342 122.345 122.820 -1.361 0.000 2.167 1173 A HA 0.440 4.759 4.320 -0.002 0.000 0.214 1173 A C 1.469 178.761 177.584 -0.487 0.000 1.151 1173 A CA 0.978 52.182 52.037 -1.389 0.000 0.735 1173 A CB -1.563 16.543 19.000 -1.490 0.000 0.802 1173 A HN 1.434 nan 8.150 nan 0.000 0.467 1174 G N 0.000 108.638 108.800 -0.270 0.000 5.446 1174 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 1174 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 1174 G CA 0.000 45.020 45.100 -0.134 0.000 0.502 1174 G HN 0.000 nan 8.290 nan 0.000 0.925