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 1e15_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.707 174.700 0.011 0.000 1.109 3 T CA 0.000 62.114 62.100 0.023 0.000 1.349 3 T CB 0.000 68.880 68.868 0.021 0.000 0.612 4 R N 2.897 123.409 120.500 0.021 0.000 2.489 4 R HA 0.233 4.573 4.340 -0.000 0.000 0.287 4 R C -0.441 175.839 176.300 -0.033 0.000 1.053 4 R CA -0.075 56.031 56.100 0.009 0.000 1.036 4 R CB 0.426 30.748 30.300 0.036 0.000 0.966 4 R HN -0.068 nan 8.270 nan 0.000 0.432 5 K N 2.567 122.878 120.400 -0.149 0.000 2.382 5 K HA 0.109 4.429 4.320 -0.000 0.000 0.275 5 K C -0.190 176.305 176.600 -0.174 0.000 1.009 5 K CA 0.029 56.136 56.287 -0.301 0.000 0.970 5 K CB 1.212 33.170 32.500 -0.902 0.000 0.934 5 K HN 0.726 nan 8.250 nan 0.000 0.479 6 A N 2.024 124.748 122.820 -0.161 0.000 2.425 6 A HA 0.339 4.659 4.320 -0.000 0.000 0.249 6 A C -0.279 177.279 177.584 -0.044 0.000 1.084 6 A CA -0.481 51.489 52.037 -0.113 0.000 0.781 6 A CB 0.437 19.163 19.000 -0.456 0.000 1.019 6 A HN 0.362 nan 8.150 nan 0.000 0.490 7 V N 4.317 124.280 119.914 0.083 0.000 2.385 7 V HA 0.266 4.386 4.120 -0.000 0.000 0.277 7 V C -0.552 175.603 176.094 0.102 0.000 1.012 7 V CA 0.055 62.462 62.300 0.177 0.000 0.832 7 V CB 0.717 32.707 31.823 0.278 0.000 1.028 7 V HN 0.710 nan 8.190 nan 0.000 0.436 8 I N 4.135 124.668 120.570 -0.061 0.000 2.328 8 I HA 0.604 4.774 4.170 -0.000 0.000 0.287 8 I C 0.857 176.621 176.117 -0.589 0.000 1.012 8 I CA -0.161 60.998 61.300 -0.235 0.000 1.195 8 I CB 1.598 39.406 38.000 -0.321 0.000 1.350 8 I HN 0.643 nan 8.210 nan 0.000 0.464 9 G N 5.353 113.735 108.800 -0.697 0.000 2.372 9 G HA2 0.488 4.448 3.960 -0.000 0.000 0.323 9 G HA3 0.488 4.448 3.960 -0.000 0.000 0.323 9 G C -1.186 173.382 174.900 -0.554 0.000 1.152 9 G CA -0.318 44.001 45.100 -1.303 0.000 0.906 9 G HN 0.332 nan 8.290 nan 0.000 0.460 10 Y N 0.683 120.695 120.300 -0.479 0.000 2.346 10 Y HA 0.297 4.847 4.550 -0.000 0.000 0.330 10 Y C -0.239 175.561 175.900 -0.166 0.000 1.178 10 Y CA 0.227 58.197 58.100 -0.216 0.000 1.331 10 Y CB 1.312 39.678 38.460 -0.156 0.000 1.253 10 Y HN 0.523 nan 8.280 nan 0.000 0.529 11 Y N 5.577 125.837 120.300 -0.067 0.000 2.388 11 Y HA 0.365 4.915 4.550 -0.000 0.000 0.328 11 Y C -1.741 174.037 175.900 -0.204 0.000 0.963 11 Y CA -1.718 56.355 58.100 -0.044 0.000 1.240 11 Y CB 0.281 38.798 38.460 0.094 0.000 1.118 11 Y HN 0.496 nan 8.280 nan 0.000 0.484 12 F N 8.565 127.956 119.950 -0.933 0.000 2.411 12 F HA 0.606 5.133 4.527 -0.000 0.000 0.352 12 F C -1.455 173.873 175.800 -0.786 0.000 1.123 12 F CA -1.538 55.929 58.000 -0.888 0.000 1.044 12 F CB 0.715 39.065 39.000 -1.083 0.000 1.135 12 F HN 0.473 nan 8.300 nan 0.000 0.461 13 I N 9.019 128.836 120.570 -1.256 0.000 2.468 13 I HA 0.463 4.633 4.170 -0.000 0.000 0.285 13 I C -2.643 172.991 176.117 -0.805 0.000 1.039 13 I CA -2.473 58.312 61.300 -0.860 0.000 1.074 13 I CB 1.774 39.628 38.000 -0.244 0.000 1.228 13 I HN 0.421 nan 8.210 nan 0.000 0.436 14 P HA 0.181 nan 4.420 nan 0.000 0.269 14 P C 0.557 177.805 177.300 -0.088 0.000 1.215 14 P CA -0.163 62.716 63.100 -0.368 0.000 0.780 14 P CB 0.659 32.227 31.700 -0.220 0.000 0.898 15 T N 0.931 115.508 114.554 0.039 0.000 2.699 15 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 15 T C 1.443 176.192 174.700 0.083 0.000 1.036 15 T CA 2.265 64.437 62.100 0.120 0.000 1.147 15 T CB -1.101 67.865 68.868 0.164 0.000 0.862 15 T HN 0.673 nan 8.240 nan 0.000 0.446 16 N N 1.310 120.040 118.700 0.049 0.000 2.223 16 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 16 N C 1.831 177.371 175.510 0.051 0.000 1.016 16 N CA 1.037 54.113 53.050 0.044 0.000 0.863 16 N CB -0.378 38.125 38.487 0.027 0.000 0.983 16 N HN 0.430 nan 8.380 nan 0.000 0.429 17 Q N -0.098 119.728 119.800 0.043 0.000 2.245 17 Q HA 0.129 4.469 4.340 -0.000 0.000 0.201 17 Q C 1.932 178.040 176.000 0.179 0.000 0.955 17 Q CA 0.688 56.538 55.803 0.079 0.000 0.870 17 Q CB 0.045 28.808 28.738 0.042 0.000 0.945 17 Q HN 0.509 nan 8.270 nan 0.000 0.461 18 I N 1.072 121.740 120.570 0.164 0.000 2.202 18 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 18 I C 1.578 177.784 176.117 0.148 0.000 1.091 18 I CA 0.788 62.202 61.300 0.191 0.000 1.368 18 I CB -0.214 37.891 38.000 0.176 0.000 1.058 18 I HN 0.201 nan 8.210 nan 0.000 0.410 19 N N 0.989 119.751 118.700 0.103 0.000 2.289 19 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 19 N C 0.820 176.377 175.510 0.077 0.000 1.016 19 N CA 1.059 54.151 53.050 0.071 0.000 0.872 19 N CB -0.301 38.219 38.487 0.055 0.000 0.973 19 N HN 0.395 nan 8.380 nan 0.000 0.433 20 N N -0.379 118.378 118.700 0.094 0.000 2.351 20 N HA -0.023 4.717 4.740 -0.000 0.000 0.254 20 N C -0.574 174.990 175.510 0.089 0.000 1.241 20 N CA -0.298 52.794 53.050 0.070 0.000 0.883 20 N CB 0.353 38.863 38.487 0.038 0.000 1.202 20 N HN 0.184 nan 8.380 nan 0.000 0.512 21 Y N 2.192 122.507 120.300 0.024 0.000 2.903 21 Y HA -0.048 4.502 4.550 -0.000 0.000 0.338 21 Y C 0.666 176.579 175.900 0.021 0.000 1.265 21 Y CA 0.980 59.100 58.100 0.034 0.000 1.532 21 Y CB 0.467 38.954 38.460 0.045 0.000 1.293 21 Y HN -0.066 nan 8.280 nan 0.000 0.609 22 T N 5.025 119.142 114.554 -0.729 0.000 3.087 22 T HA 0.228 4.578 4.350 -0.000 0.000 0.351 22 T C -0.496 173.833 174.700 -0.618 0.000 1.520 22 T CA -0.688 61.126 62.100 -0.476 0.000 1.111 22 T CB 0.833 69.575 68.868 -0.210 0.000 1.353 22 T HN 0.759 nan 8.240 nan 0.000 0.481 23 E N 1.904 121.878 120.200 -0.376 0.000 2.463 23 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 23 E C 0.904 177.417 176.600 -0.145 0.000 1.041 23 E CA 0.348 56.597 56.400 -0.250 0.000 0.879 23 E CB 0.474 30.104 29.700 -0.117 0.000 0.997 23 E HN 0.729 nan 8.360 nan 0.000 0.478 24 T N -2.567 111.909 114.554 -0.130 0.000 3.111 24 T HA 0.126 4.476 4.350 -0.000 0.000 0.284 24 T C -0.151 174.507 174.700 -0.070 0.000 0.983 24 T CA -0.477 61.575 62.100 -0.081 0.000 0.900 24 T CB 0.128 68.961 68.868 -0.058 0.000 1.132 24 T HN -0.088 nan 8.240 nan 0.000 0.531 25 D N 0.358 120.707 120.400 -0.086 0.000 2.346 25 D HA 0.351 4.991 4.640 -0.000 0.000 0.255 25 D C 0.868 177.133 176.300 -0.058 0.000 1.276 25 D CA -0.258 53.705 54.000 -0.062 0.000 0.941 25 D CB 1.280 42.047 40.800 -0.055 0.000 1.199 25 D HN -0.114 nan 8.370 nan 0.000 0.537 26 T N 0.444 114.974 114.554 -0.040 0.000 3.025 26 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 26 T C 1.913 176.602 174.700 -0.017 0.000 1.126 26 T CA 1.339 63.426 62.100 -0.022 0.000 1.105 26 T CB -0.047 68.817 68.868 -0.006 0.000 0.884 26 T HN 0.427 nan 8.240 nan 0.000 0.522 27 S N 0.099 115.784 115.700 -0.024 0.000 2.428 27 S HA -0.028 4.442 4.470 -0.000 0.000 0.230 27 S C 1.902 176.489 174.600 -0.022 0.000 1.014 27 S CA 0.723 58.910 58.200 -0.022 0.000 0.957 27 S CB -0.085 63.102 63.200 -0.022 0.000 0.784 27 S HN 0.330 nan 8.310 nan 0.000 0.499 28 V N 0.395 120.291 119.914 -0.030 0.000 2.581 28 V HA 0.336 4.456 4.120 -0.000 0.000 0.240 28 V C 0.408 176.486 176.094 -0.027 0.000 1.054 28 V CA 0.458 62.740 62.300 -0.029 0.000 1.076 28 V CB 0.534 32.333 31.823 -0.039 0.000 0.748 28 V HN 0.354 nan 8.190 nan 0.000 0.474 29 V N 1.735 121.622 119.914 -0.045 0.000 2.380 29 V HA 0.296 4.416 4.120 -0.000 0.000 0.272 29 V C -1.849 174.247 176.094 0.004 0.000 1.011 29 V CA -0.936 61.347 62.300 -0.027 0.000 0.826 29 V CB 1.324 33.083 31.823 -0.107 0.000 1.040 29 V HN 0.272 nan 8.190 nan 0.000 0.441 30 P HA -0.138 nan 4.420 nan 0.000 0.216 30 P C 0.251 177.670 177.300 0.197 0.000 1.153 30 P CA 1.420 64.579 63.100 0.097 0.000 0.858 30 P CB 0.192 31.951 31.700 0.098 0.000 0.789 31 F N -0.185 119.802 119.950 0.062 0.000 2.564 31 F HA 0.419 4.946 4.527 -0.000 0.000 0.361 31 F C -2.718 173.239 175.800 0.260 0.000 1.161 31 F CA -3.133 54.949 58.000 0.138 0.000 1.198 31 F CB 0.782 39.870 39.000 0.146 0.000 1.424 31 F HN -0.181 nan 8.300 nan 0.000 0.517 32 P HA 0.126 nan 4.420 nan 0.000 0.274 32 P C 1.019 178.314 177.300 -0.008 0.000 1.246 32 P CA -0.233 62.914 63.100 0.079 0.000 0.795 32 P CB 1.257 32.903 31.700 -0.089 0.000 1.006 33 V N 0.703 120.717 119.914 0.168 0.000 2.469 33 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 33 V C 2.278 178.332 176.094 -0.067 0.000 1.064 33 V CA 2.656 64.932 62.300 -0.041 0.000 1.066 33 V CB -1.725 30.066 31.823 -0.052 0.000 0.667 33 V HN 0.739 nan 8.190 nan 0.000 0.461 34 S N 0.153 115.834 115.700 -0.032 0.000 2.469 34 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 34 S C 1.497 176.032 174.600 -0.108 0.000 0.998 34 S CA 1.750 59.922 58.200 -0.047 0.000 0.957 34 S CB -0.994 62.190 63.200 -0.027 0.000 0.764 34 S HN 0.766 nan 8.310 nan 0.000 0.514 35 N N 0.635 119.184 118.700 -0.251 0.000 2.515 35 N HA 0.210 4.950 4.740 -0.000 0.000 0.185 35 N C -0.314 175.124 175.510 -0.121 0.000 1.109 35 N CA 0.281 53.152 53.050 -0.297 0.000 0.903 35 N CB -0.095 37.967 38.487 -0.708 0.000 0.969 35 N HN 0.478 nan 8.380 nan 0.000 0.450 36 I N 2.157 122.690 120.570 -0.061 0.000 2.256 36 I HA 0.030 4.200 4.170 -0.000 0.000 0.294 36 I C 0.770 176.910 176.117 0.039 0.000 1.127 36 I CA -0.451 60.901 61.300 0.087 0.000 1.247 36 I CB 0.059 38.130 38.000 0.117 0.000 1.460 36 I HN 0.042 nan 8.210 nan 0.000 0.511 37 T N 2.649 117.219 114.554 0.027 0.000 2.766 37 T HA 0.215 4.565 4.350 -0.000 0.000 0.295 37 T C -1.705 172.943 174.700 -0.087 0.000 1.024 37 T CA -1.444 60.633 62.100 -0.038 0.000 1.018 37 T CB 0.888 69.738 68.868 -0.030 0.000 1.002 37 T HN 0.190 nan 8.240 nan 0.000 0.532 38 P HA -0.014 nan 4.420 nan 0.000 0.216 38 P C 1.616 178.847 177.300 -0.115 0.000 1.150 38 P CA 1.428 64.303 63.100 -0.376 0.000 0.837 38 P CB -0.316 30.999 31.700 -0.641 0.000 0.786 39 A N -0.084 122.693 122.820 -0.071 0.000 1.930 39 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 39 A C 2.028 179.628 177.584 0.026 0.000 1.175 39 A CA 1.634 53.663 52.037 -0.014 0.000 0.627 39 A CB -0.891 18.104 19.000 -0.009 0.000 0.815 39 A HN 0.169 nan 8.150 nan 0.000 0.443 40 K N -0.207 120.221 120.400 0.046 0.000 2.155 40 K HA 0.089 4.409 4.320 -0.000 0.000 0.203 40 K C 2.228 178.896 176.600 0.112 0.000 1.052 40 K CA 0.878 57.224 56.287 0.098 0.000 0.948 40 K CB -0.274 32.313 32.500 0.144 0.000 0.728 40 K HN 0.400 nan 8.250 nan 0.000 0.448 41 A N 2.125 125.000 122.820 0.092 0.000 1.933 41 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 41 A C 1.792 179.436 177.584 0.101 0.000 1.175 41 A CA 1.468 53.571 52.037 0.110 0.000 0.628 41 A CB -0.252 18.825 19.000 0.130 0.000 0.814 41 A HN 0.191 nan 8.150 nan 0.000 0.444 42 K N -0.693 119.756 120.400 0.082 0.000 2.366 42 K HA -0.053 4.267 4.320 -0.000 0.000 0.198 42 K C 1.841 178.490 176.600 0.081 0.000 1.044 42 K CA 1.058 57.390 56.287 0.075 0.000 0.973 42 K CB -0.039 32.496 32.500 0.058 0.000 0.767 42 K HN 0.604 nan 8.250 nan 0.000 0.475 43 Q N 0.180 120.034 119.800 0.091 0.000 2.424 43 Q HA 0.115 4.455 4.340 -0.000 0.000 0.204 43 Q C 0.040 176.127 176.000 0.145 0.000 0.933 43 Q CA 0.204 56.069 55.803 0.103 0.000 0.929 43 Q CB 0.325 29.116 28.738 0.088 0.000 1.037 43 Q HN 0.193 nan 8.270 nan 0.000 0.511 44 L N -0.124 121.189 121.223 0.149 0.000 2.360 44 L HA 0.224 4.564 4.340 -0.000 0.000 0.271 44 L C 1.222 178.166 176.870 0.123 0.000 1.057 44 L CA -0.196 54.744 54.840 0.166 0.000 0.803 44 L CB 1.481 43.641 42.059 0.168 0.000 1.207 44 L HN 0.069 nan 8.230 nan 0.000 0.445 45 T N -3.434 111.206 114.554 0.142 0.000 3.000 45 T HA 0.219 4.569 4.350 -0.000 0.000 0.248 45 T C 0.273 174.942 174.700 -0.051 0.000 1.034 45 T CA 0.130 62.280 62.100 0.083 0.000 1.060 45 T CB 0.078 69.055 68.868 0.181 0.000 0.983 45 T HN 0.536 nan 8.240 nan 0.000 0.482 46 H N -0.545 118.526 119.070 0.003 0.000 2.930 46 H HA 0.690 5.246 4.556 -0.000 0.000 0.371 46 H C -1.344 173.954 175.328 -0.049 0.000 1.169 46 H CA -0.889 55.149 56.048 -0.016 0.000 1.157 46 H CB 1.712 31.439 29.762 -0.059 0.000 1.789 46 H HN 0.147 nan 8.280 nan 0.000 0.547 47 I N 2.205 122.839 120.570 0.108 0.000 2.436 47 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 47 I C -0.613 175.520 176.117 0.027 0.000 1.010 47 I CA -0.828 60.504 61.300 0.053 0.000 1.098 47 I CB 1.378 39.451 38.000 0.121 0.000 1.266 47 I HN 0.495 nan 8.210 nan 0.000 0.434 48 N N 6.335 124.941 118.700 -0.157 0.000 2.485 48 N HA 0.220 4.960 4.740 -0.000 0.000 0.243 48 N C -0.691 174.778 175.510 -0.068 0.000 0.987 48 N CA -0.323 52.582 53.050 -0.243 0.000 0.940 48 N CB 0.747 38.752 38.487 -0.803 0.000 1.122 48 N HN 0.377 nan 8.380 nan 0.000 0.509 49 F N 2.652 122.620 119.950 0.030 0.000 2.541 49 F HA 0.193 4.720 4.527 -0.000 0.000 0.378 49 F C 0.424 176.245 175.800 0.035 0.000 1.068 49 F CA -0.301 57.791 58.000 0.153 0.000 1.199 49 F CB 0.257 39.426 39.000 0.282 0.000 1.091 49 F HN 0.339 nan 8.300 nan 0.000 0.555 50 S N 5.315 120.586 115.700 -0.714 0.000 2.549 50 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 50 S C -1.251 173.111 174.600 -0.396 0.000 1.109 50 S CA -0.799 57.035 58.200 -0.610 0.000 0.905 50 S CB 1.690 64.199 63.200 -1.152 0.000 1.081 50 S HN 0.449 nan 8.310 nan 0.000 0.477 51 F N 0.552 120.615 119.950 0.188 0.000 2.563 51 F HA 0.697 5.224 4.527 0.000 0.000 0.316 51 F C -0.316 175.642 175.800 0.263 0.000 1.076 51 F CA -0.897 57.267 58.000 0.273 0.000 0.921 51 F CB 1.532 40.761 39.000 0.381 0.000 1.209 51 F HN 0.480 nan 8.300 nan 0.000 0.462 52 L N 1.122 122.570 121.223 0.376 0.000 2.397 52 L HA 0.577 4.917 4.340 -0.000 0.000 0.266 52 L C -0.422 176.542 176.870 0.158 0.000 1.040 52 L CA -0.153 54.743 54.840 0.093 0.000 0.800 52 L CB 1.042 43.007 42.059 -0.156 0.000 1.324 52 L HN 0.610 nan 8.230 nan 0.000 0.469 53 D N -1.444 118.913 120.400 -0.072 0.000 2.744 53 D HA 0.542 5.182 4.640 -0.000 0.000 0.304 53 D C -1.483 174.693 176.300 -0.207 0.000 1.179 53 D CA -0.350 53.515 54.000 -0.225 0.000 1.024 53 D CB 1.390 41.747 40.800 -0.738 0.000 1.453 53 D HN 0.247 nan 8.370 nan 0.000 0.529 54 I N 2.015 122.357 120.570 -0.381 0.000 2.406 54 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 54 I C -0.089 175.827 176.117 -0.335 0.000 0.999 54 I CA -0.893 60.151 61.300 -0.426 0.000 1.124 54 I CB 1.521 38.995 38.000 -0.877 0.000 1.289 54 I HN 0.340 nan 8.210 nan 0.000 0.441 55 N N 3.075 121.653 118.700 -0.203 0.000 2.476 55 N HA 0.227 4.967 4.740 -0.000 0.000 0.287 55 N C 0.537 175.962 175.510 -0.141 0.000 1.262 55 N CA -0.759 52.203 53.050 -0.146 0.000 0.980 55 N CB 0.356 38.798 38.487 -0.075 0.000 1.163 55 N HN 0.399 nan 8.380 nan 0.000 0.592 56 S N -1.060 114.583 115.700 -0.096 0.000 2.442 56 S HA -0.142 4.328 4.470 -0.000 0.000 0.236 56 S C 1.113 175.669 174.600 -0.073 0.000 1.007 56 S CA 0.964 59.114 58.200 -0.084 0.000 0.965 56 S CB -0.626 62.542 63.200 -0.053 0.000 0.773 56 S HN 0.700 nan 8.310 nan 0.000 0.504 57 N N 1.177 119.842 118.700 -0.059 0.000 2.461 57 N HA 0.117 4.857 4.740 -0.000 0.000 0.188 57 N C 0.160 175.643 175.510 -0.045 0.000 1.134 57 N CA -0.046 52.981 53.050 -0.039 0.000 0.878 57 N CB -0.632 37.845 38.487 -0.017 0.000 0.972 57 N HN 0.341 nan 8.380 nan 0.000 0.456 58 L N -0.492 120.678 121.223 -0.088 0.000 3.717 58 L HA -0.265 4.075 4.340 -0.000 0.000 0.411 58 L C -0.868 176.003 176.870 0.002 0.000 1.233 58 L CA 0.653 55.424 54.840 -0.114 0.000 0.917 58 L CB -1.918 40.077 42.059 -0.105 0.000 1.902 58 L HN 0.282 nan 8.230 nan 0.000 0.894 59 E N -0.624 119.588 120.200 0.020 0.000 2.277 59 E HA 0.394 4.744 4.350 -0.000 0.000 0.266 59 E C -0.295 176.362 176.600 0.095 0.000 0.901 59 E CA -0.840 55.628 56.400 0.113 0.000 0.782 59 E CB 2.645 32.377 29.700 0.053 0.000 1.228 59 E HN 0.274 nan 8.360 nan 0.000 0.424 60 C N 2.194 121.586 119.300 0.154 0.000 2.642 60 C HA 0.543 5.003 4.460 -0.000 0.000 0.420 60 C C 0.070 175.059 174.990 -0.002 0.000 1.349 60 C CA 0.253 59.329 59.018 0.098 0.000 1.821 60 C CB -1.567 26.219 27.740 0.076 0.000 2.637 60 C HN 0.671 nan 8.230 nan 0.000 0.605 61 A N 5.111 127.898 122.820 -0.056 0.000 2.608 61 A HA 0.654 4.974 4.320 -0.000 0.000 0.292 61 A C -1.383 176.162 177.584 -0.066 0.000 1.066 61 A CA -0.666 51.352 52.037 -0.031 0.000 0.676 61 A CB 0.173 19.187 19.000 0.024 0.000 1.277 61 A HN 0.926 nan 8.150 nan 0.000 0.413 62 W N 0.707 121.978 121.300 -0.049 0.000 2.126 62 W HA 0.418 5.078 4.660 -0.000 0.000 0.346 62 W C 0.688 177.219 176.519 0.020 0.000 1.279 62 W CA 1.079 58.421 57.345 -0.004 0.000 1.259 62 W CB 0.432 29.878 29.460 -0.024 0.000 1.133 62 W HN 0.831 nan 8.180 nan 0.000 0.592 63 D N 1.718 122.322 120.400 0.340 0.000 2.472 63 D HA -0.007 4.633 4.640 -0.000 0.000 0.237 63 D C -1.355 175.072 176.300 0.211 0.000 1.141 63 D CA -0.680 53.460 54.000 0.234 0.000 0.875 63 D CB 1.208 42.209 40.800 0.334 0.000 1.192 63 D HN -0.025 nan 8.370 nan 0.000 0.450 64 P HA -0.137 nan 4.420 nan 0.000 0.217 64 P C 0.538 177.901 177.300 0.104 0.000 1.148 64 P CA 1.225 64.390 63.100 0.108 0.000 0.828 64 P CB 0.077 31.825 31.700 0.079 0.000 0.783 65 A N -1.485 121.408 122.820 0.122 0.000 2.235 65 A HA 0.021 4.341 4.320 -0.000 0.000 0.208 65 A C 0.896 178.536 177.584 0.093 0.000 1.172 65 A CA 0.651 52.748 52.037 0.101 0.000 0.786 65 A CB -1.311 17.754 19.000 0.108 0.000 0.804 65 A HN 0.137 nan 8.150 nan 0.000 0.479 66 T N 1.910 116.533 114.554 0.115 0.000 2.888 66 T HA 0.078 4.428 4.350 -0.000 0.000 0.301 66 T C 0.265 174.955 174.700 -0.016 0.000 1.001 66 T CA -0.336 61.808 62.100 0.074 0.000 1.147 66 T CB 0.307 69.245 68.868 0.117 0.000 0.931 66 T HN 0.403 nan 8.240 nan 0.000 0.541 67 N N 2.614 121.291 118.700 -0.038 0.000 2.402 67 N HA -0.002 4.738 4.740 -0.000 0.000 0.252 67 N C 0.722 176.142 175.510 -0.150 0.000 1.118 67 N CA -0.158 52.854 53.050 -0.063 0.000 0.945 67 N CB 1.038 39.504 38.487 -0.034 0.000 1.147 67 N HN 0.627 nan 8.380 nan 0.000 0.495 68 D N 3.701 123.999 120.400 -0.169 0.000 2.158 68 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 68 D C 1.651 177.826 176.300 -0.208 0.000 0.995 68 D CA 1.758 55.609 54.000 -0.248 0.000 0.846 68 D CB 0.291 40.997 40.800 -0.157 0.000 0.941 68 D HN 0.664 nan 8.370 nan 0.000 0.456 69 A N 0.200 122.938 122.820 -0.137 0.000 1.933 69 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 69 A C 2.105 179.616 177.584 -0.121 0.000 1.175 69 A CA 1.190 53.158 52.037 -0.115 0.000 0.628 69 A CB -0.320 18.634 19.000 -0.077 0.000 0.814 69 A HN 0.057 nan 8.150 nan 0.000 0.444 70 K N -0.061 120.272 120.400 -0.112 0.000 2.057 70 K HA 0.023 4.343 4.320 -0.000 0.000 0.206 70 K C 2.316 178.816 176.600 -0.167 0.000 1.050 70 K CA 1.245 57.477 56.287 -0.092 0.000 0.935 70 K CB -0.901 31.580 32.500 -0.030 0.000 0.715 70 K HN 0.422 nan 8.250 nan 0.000 0.439 71 A N 2.016 124.677 122.820 -0.265 0.000 1.892 71 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 71 A C 2.261 179.644 177.584 -0.335 0.000 1.188 71 A CA 1.738 53.511 52.037 -0.440 0.000 0.631 71 A CB -0.513 17.835 19.000 -1.085 0.000 0.822 71 A HN 0.287 nan 8.150 nan 0.000 0.447 72 R N -0.836 119.514 120.500 -0.250 0.000 2.105 72 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 72 R C 2.015 178.212 176.300 -0.172 0.000 1.135 72 R CA 1.564 57.576 56.100 -0.148 0.000 0.967 72 R CB -0.470 29.742 30.300 -0.147 0.000 0.861 72 R HN 0.698 nan 8.270 nan 0.000 0.442 73 D N 0.240 120.538 120.400 -0.171 0.000 2.117 73 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 73 D C 1.779 177.940 176.300 -0.231 0.000 0.987 73 D CA 0.915 54.818 54.000 -0.163 0.000 0.829 73 D CB 0.166 40.895 40.800 -0.118 0.000 0.961 73 D HN -0.067 nan 8.370 nan 0.000 0.460 74 V N -0.044 119.684 119.914 -0.309 0.000 2.261 74 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 74 V C 2.672 178.616 176.094 -0.249 0.000 1.047 74 V CA 1.527 63.594 62.300 -0.389 0.000 1.015 74 V CB -0.525 31.127 31.823 -0.286 0.000 0.642 74 V HN 0.166 nan 8.190 nan 0.000 0.446 75 V N 0.732 120.492 119.914 -0.258 0.000 2.332 75 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 75 V C 2.299 178.247 176.094 -0.243 0.000 1.055 75 V CA 2.161 64.277 62.300 -0.306 0.000 1.038 75 V CB -0.963 30.602 31.823 -0.431 0.000 0.651 75 V HN 0.572 nan 8.190 nan 0.000 0.450 76 N N 0.350 118.926 118.700 -0.207 0.000 2.223 76 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 76 N C 1.950 177.384 175.510 -0.126 0.000 1.016 76 N CA 1.208 54.161 53.050 -0.161 0.000 0.863 76 N CB -0.341 38.063 38.487 -0.139 0.000 0.983 76 N HN 0.521 nan 8.380 nan 0.000 0.429 77 R N 0.289 120.711 120.500 -0.130 0.000 2.115 77 R HA 0.077 4.417 4.340 -0.000 0.000 0.230 77 R C 2.139 178.389 176.300 -0.084 0.000 1.111 77 R CA 0.581 56.626 56.100 -0.092 0.000 0.976 77 R CB -0.216 30.029 30.300 -0.091 0.000 0.870 77 R HN 0.199 nan 8.270 nan 0.000 0.445 78 L N 0.167 121.326 121.223 -0.108 0.000 2.072 78 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 78 L C 2.585 179.431 176.870 -0.039 0.000 1.079 78 L CA 1.614 56.410 54.840 -0.073 0.000 0.752 78 L CB -0.667 41.364 42.059 -0.046 0.000 0.906 78 L HN 0.338 nan 8.230 nan 0.000 0.436 79 T N -2.803 111.711 114.554 -0.066 0.000 2.962 79 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 79 T C 1.839 176.507 174.700 -0.054 0.000 1.088 79 T CA 0.766 62.835 62.100 -0.052 0.000 1.127 79 T CB -0.275 68.542 68.868 -0.084 0.000 0.883 79 T HN 0.287 nan 8.240 nan 0.000 0.493 80 A N 1.601 124.383 122.820 -0.063 0.000 2.070 80 A HA 0.209 4.529 4.320 -0.000 0.000 0.220 80 A C 2.300 179.833 177.584 -0.086 0.000 1.159 80 A CA 0.861 52.853 52.037 -0.075 0.000 0.656 80 A CB -0.876 18.087 19.000 -0.061 0.000 0.800 80 A HN 0.578 nan 8.150 nan 0.000 0.453 81 L N -0.806 120.404 121.223 -0.022 0.000 2.353 81 L HA -0.177 4.163 4.340 -0.000 0.000 0.220 81 L C 2.141 179.011 176.870 0.001 0.000 1.133 81 L CA 1.205 56.075 54.840 0.049 0.000 0.798 81 L CB -0.379 41.734 42.059 0.090 0.000 0.922 81 L HN 0.366 nan 8.230 nan 0.000 0.445 82 K N 0.160 120.537 120.400 -0.037 0.000 2.442 82 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 82 K C 2.128 178.678 176.600 -0.083 0.000 1.042 82 K CA 0.883 57.148 56.287 -0.037 0.000 0.958 82 K CB -0.123 32.358 32.500 -0.032 0.000 0.766 82 K HN 0.295 nan 8.250 nan 0.000 0.474 83 A N 0.596 123.302 122.820 -0.189 0.000 2.015 83 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 83 A C 1.348 178.787 177.584 -0.241 0.000 1.163 83 A CA 1.182 53.068 52.037 -0.253 0.000 0.646 83 A CB -0.463 18.314 19.000 -0.371 0.000 0.806 83 A HN 0.376 nan 8.150 nan 0.000 0.448 84 H N -2.139 116.933 119.070 0.003 0.000 2.547 84 H HA 0.140 4.696 4.556 -0.000 0.000 0.272 84 H C 0.153 175.488 175.328 0.012 0.000 0.971 84 H CA 0.631 56.684 56.048 0.009 0.000 1.245 84 H CB 0.353 30.123 29.762 0.014 0.000 1.440 84 H HN 0.438 nan 8.280 nan 0.000 0.540 85 N N 0.239 118.998 118.700 0.098 0.000 2.653 85 N HA 0.044 4.784 4.740 -0.000 0.000 0.261 85 N C -2.256 173.268 175.510 0.023 0.000 1.216 85 N CA -1.987 51.101 53.050 0.063 0.000 0.784 85 N CB 1.293 39.824 38.487 0.074 0.000 1.327 85 N HN -0.094 nan 8.380 nan 0.000 0.539 86 P HA -0.090 nan 4.420 nan 0.000 0.219 86 P C 0.585 177.874 177.300 -0.018 0.000 1.146 86 P CA 0.984 64.078 63.100 -0.011 0.000 0.808 86 P CB 0.474 32.168 31.700 -0.010 0.000 0.779 87 S N -0.661 115.031 115.700 -0.013 0.000 2.558 87 S HA 0.067 4.537 4.470 -0.000 0.000 0.217 87 S C 0.924 175.488 174.600 -0.060 0.000 0.975 87 S CA -0.410 57.771 58.200 -0.031 0.000 0.912 87 S CB -0.670 62.520 63.200 -0.016 0.000 0.776 87 S HN 0.080 nan 8.310 nan 0.000 0.526 88 L N 3.039 124.240 121.223 -0.037 0.000 2.453 88 L HA 0.253 4.593 4.340 -0.000 0.000 0.272 88 L C 0.031 176.861 176.870 -0.066 0.000 1.182 88 L CA 0.428 55.239 54.840 -0.048 0.000 0.858 88 L CB 0.324 42.389 42.059 0.010 0.000 1.120 88 L HN -0.004 nan 8.230 nan 0.000 0.474 89 R N 5.669 126.096 120.500 -0.122 0.000 2.494 89 R HA 0.527 4.867 4.340 -0.000 0.000 0.305 89 R C -1.140 175.203 176.300 0.071 0.000 0.959 89 R CA -0.952 55.120 56.100 -0.045 0.000 0.864 89 R CB 1.545 31.765 30.300 -0.134 0.000 1.159 89 R HN 0.493 nan 8.270 nan 0.000 0.446 90 I N 4.928 125.596 120.570 0.164 0.000 2.307 90 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 90 I C 0.260 176.610 176.117 0.388 0.000 1.054 90 I CA -0.274 61.186 61.300 0.266 0.000 1.218 90 I CB 0.673 38.841 38.000 0.279 0.000 1.398 90 I HN 0.500 nan 8.210 nan 0.000 0.475 91 M N 6.479 126.235 119.600 0.259 0.000 2.368 91 M HA 0.461 4.941 4.480 -0.000 0.000 0.311 91 M C -0.295 176.009 176.300 0.008 0.000 1.168 91 M CA -0.522 54.855 55.300 0.129 0.000 1.044 91 M CB 1.258 33.868 32.600 0.017 0.000 1.506 91 M HN 0.358 nan 8.290 nan 0.000 0.475 92 F N -1.083 118.619 119.950 -0.413 0.000 2.508 92 F HA 0.751 5.278 4.527 -0.000 0.000 0.325 92 F C -0.448 175.230 175.800 -0.204 0.000 1.090 92 F CA -0.925 56.755 58.000 -0.534 0.000 0.945 92 F CB 0.924 39.160 39.000 -1.273 0.000 1.156 92 F HN 0.397 nan 8.300 nan 0.000 0.463 93 S N 3.710 119.422 115.700 0.020 0.000 2.489 93 S HA 0.669 5.139 4.470 -0.000 0.000 0.291 93 S C -0.427 174.393 174.600 0.366 0.000 1.151 93 S CA -0.590 57.694 58.200 0.139 0.000 1.082 93 S CB 0.960 64.325 63.200 0.275 0.000 1.019 93 S HN 0.564 nan 8.310 nan 0.000 0.492 94 I N 2.773 123.544 120.570 0.335 0.000 2.378 94 I HA 0.654 4.823 4.170 -0.000 0.000 0.291 94 I C 0.893 177.253 176.117 0.405 0.000 0.992 94 I CA -0.015 61.516 61.300 0.385 0.000 1.154 94 I CB 1.254 39.442 38.000 0.314 0.000 1.315 94 I HN 0.901 nan 8.210 nan 0.000 0.448 95 G N 4.173 113.198 108.800 0.375 0.000 2.785 95 G HA2 0.318 4.278 3.960 -0.000 0.000 0.218 95 G HA3 0.318 4.278 3.960 -0.000 0.000 0.218 95 G C 0.059 174.672 174.900 -0.478 0.000 1.251 95 G CA 0.031 45.178 45.100 0.078 0.000 1.129 95 G HN 1.603 nan 8.290 nan 0.000 0.573 96 G N -1.984 106.375 108.800 -0.735 0.000 2.707 96 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 96 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 96 G C 0.706 175.203 174.900 -0.671 0.000 1.315 96 G CA 0.491 44.843 45.100 -1.246 0.000 0.832 96 G HN 1.925 nan 8.290 nan 0.000 0.573 97 W N 0.286 121.172 121.300 -0.689 0.000 2.335 97 W HA -0.185 4.475 4.660 -0.000 0.000 0.311 97 W C 2.078 178.357 176.519 -0.401 0.000 1.213 97 W CA 2.550 59.592 57.345 -0.506 0.000 1.274 97 W CB -0.304 28.904 29.460 -0.421 0.000 1.148 97 W HN 0.698 nan 8.180 nan 0.000 0.498 98 Y N 0.543 120.596 120.300 -0.412 0.000 2.081 98 Y HA -0.358 4.192 4.550 -0.000 0.000 0.280 98 Y C 2.464 178.111 175.900 -0.421 0.000 1.163 98 Y CA 2.826 60.675 58.100 -0.418 0.000 1.135 98 Y CB -1.290 36.913 38.460 -0.428 0.000 0.970 98 Y HN -0.091 nan 8.280 nan 0.000 0.498 99 Y N -0.694 119.385 120.300 -0.370 0.000 2.220 99 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 99 Y C 2.865 178.410 175.900 -0.591 0.000 1.129 99 Y CA 1.284 59.143 58.100 -0.401 0.000 1.161 99 Y CB -1.009 37.357 38.460 -0.157 0.000 0.997 99 Y HN 0.287 nan 8.280 nan 0.000 0.522 100 S N -0.201 115.121 115.700 -0.630 0.000 2.540 100 S HA 0.075 4.545 4.470 -0.000 0.000 0.218 100 S C 0.422 174.618 174.600 -0.675 0.000 0.977 100 S CA -0.335 57.314 58.200 -0.919 0.000 0.918 100 S CB -1.193 61.206 63.200 -1.335 0.000 0.806 100 S HN 0.500 nan 8.310 nan 0.000 0.496 101 N N 1.755 119.904 118.700 -0.919 0.000 2.340 101 N HA 0.047 4.787 4.740 -0.000 0.000 0.236 101 N C 0.248 175.304 175.510 -0.756 0.000 1.296 101 N CA 0.154 52.528 53.050 -1.126 0.000 0.896 101 N CB 0.173 37.244 38.487 -2.359 0.000 1.127 101 N HN -0.158 nan 8.380 nan 0.000 0.442 102 D N -0.039 119.943 120.400 -0.696 0.000 2.158 102 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 102 D C 0.981 176.886 176.300 -0.658 0.000 0.995 102 D CA 1.399 54.892 54.000 -0.845 0.000 0.846 102 D CB -0.127 40.420 40.800 -0.422 0.000 0.941 102 D HN 0.518 nan 8.370 nan 0.000 0.456 103 L N 0.049 120.993 121.223 -0.466 0.000 2.872 103 L HA 0.323 4.663 4.340 -0.000 0.000 0.245 103 L C 1.162 177.830 176.870 -0.336 0.000 1.211 103 L CA -0.525 54.127 54.840 -0.312 0.000 1.013 103 L CB 0.376 42.316 42.059 -0.199 0.000 1.326 103 L HN -0.136 nan 8.230 nan 0.000 0.525 104 G N -0.018 108.522 108.800 -0.434 0.000 2.537 104 G HA2 0.309 4.269 3.960 -0.000 0.000 0.273 104 G HA3 0.309 4.269 3.960 -0.000 0.000 0.273 104 G C 1.219 175.929 174.900 -0.318 0.000 1.189 104 G CA -0.021 44.797 45.100 -0.470 0.000 0.881 104 G HN 0.005 nan 8.290 nan 0.000 0.535 105 V N -1.089 118.596 119.914 -0.381 0.000 2.380 105 V HA -0.117 4.003 4.120 -0.000 0.000 0.251 105 V C 1.835 177.871 176.094 -0.096 0.000 1.063 105 V CA 2.421 64.599 62.300 -0.203 0.000 1.055 105 V CB -0.480 31.242 31.823 -0.170 0.000 0.657 105 V HN 0.437 nan 8.190 nan 0.000 0.455 106 S N -1.289 114.365 115.700 -0.076 0.000 2.593 106 S HA 0.204 4.674 4.470 -0.000 0.000 0.236 106 S C 1.439 176.037 174.600 -0.003 0.000 0.991 106 S CA 0.168 58.352 58.200 -0.028 0.000 0.963 106 S CB -0.567 62.639 63.200 0.009 0.000 0.865 106 S HN 0.809 nan 8.310 nan 0.000 0.488 107 H N 2.552 121.515 119.070 -0.178 0.000 2.325 107 H HA -0.227 4.329 4.556 -0.000 0.000 0.293 107 H C 2.155 177.405 175.328 -0.131 0.000 1.106 107 H CA 1.986 57.902 56.048 -0.219 0.000 1.247 107 H CB -0.132 29.484 29.762 -0.242 0.000 1.359 107 H HN 0.481 nan 8.280 nan 0.000 0.488 108 A N 0.716 123.430 122.820 -0.175 0.000 1.978 108 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 108 A C 2.252 179.676 177.584 -0.266 0.000 1.170 108 A CA 1.678 53.591 52.037 -0.207 0.000 0.636 108 A CB -0.704 18.244 19.000 -0.088 0.000 0.810 108 A HN 0.709 nan 8.150 nan 0.000 0.448 109 N N -1.732 116.811 118.700 -0.261 0.000 2.244 109 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 109 N C 1.447 176.598 175.510 -0.598 0.000 1.016 109 N CA 1.436 54.267 53.050 -0.366 0.000 0.866 109 N CB -0.298 37.962 38.487 -0.378 0.000 0.980 109 N HN 0.614 nan 8.380 nan 0.000 0.430 110 Y N 0.965 120.806 120.300 -0.766 0.000 2.163 110 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 110 Y C 2.450 177.780 175.900 -0.949 0.000 1.136 110 Y CA 0.543 57.940 58.100 -1.171 0.000 1.147 110 Y CB -0.749 36.505 38.460 -2.011 0.000 0.987 110 Y HN -0.149 nan 8.280 nan 0.000 0.509 111 V N 0.561 120.146 119.914 -0.548 0.000 2.287 111 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 111 V C 1.724 177.742 176.094 -0.126 0.000 1.053 111 V CA 2.441 64.640 62.300 -0.168 0.000 1.027 111 V CB -0.806 30.933 31.823 -0.140 0.000 0.646 111 V HN 0.489 nan 8.190 nan 0.000 0.447 112 N N 0.043 118.626 118.700 -0.195 0.000 2.188 112 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 112 N C 1.917 177.335 175.510 -0.153 0.000 1.018 112 N CA 1.050 54.016 53.050 -0.141 0.000 0.858 112 N CB -0.318 38.086 38.487 -0.138 0.000 0.989 112 N HN 0.472 nan 8.380 nan 0.000 0.426 113 A N 0.861 123.517 122.820 -0.274 0.000 1.978 113 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 113 A C 2.073 179.557 177.584 -0.166 0.000 1.170 113 A CA 1.648 53.505 52.037 -0.299 0.000 0.636 113 A CB -0.606 17.995 19.000 -0.666 0.000 0.810 113 A HN 0.278 nan 8.150 nan 0.000 0.448 114 V N -3.680 116.176 119.914 -0.096 0.000 3.542 114 V HA 0.257 4.377 4.120 -0.000 0.000 0.296 114 V C 1.505 177.643 176.094 0.073 0.000 1.364 114 V CA 0.894 63.228 62.300 0.056 0.000 1.118 114 V CB -0.327 31.625 31.823 0.215 0.000 0.972 114 V HN 0.422 nan 8.190 nan 0.000 0.430 115 K N 1.752 122.171 120.400 0.031 0.000 2.025 115 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 115 K C 1.176 177.798 176.600 0.036 0.000 1.049 115 K CA 1.839 58.146 56.287 0.035 0.000 0.933 115 K CB -0.040 32.465 32.500 0.009 0.000 0.714 115 K HN 0.786 nan 8.250 nan 0.000 0.438 116 T N -3.586 110.985 114.554 0.029 0.000 2.930 116 T HA 0.305 4.655 4.350 -0.000 0.000 0.290 116 T C -2.413 172.308 174.700 0.035 0.000 1.052 116 T CA -2.034 60.084 62.100 0.029 0.000 1.017 116 T CB 1.783 70.662 68.868 0.019 0.000 1.137 116 T HN -0.232 nan 8.240 nan 0.000 0.511 117 P HA -0.004 nan 4.420 nan 0.000 0.218 117 P C 1.493 178.812 177.300 0.032 0.000 1.148 117 P CA 1.452 64.571 63.100 0.032 0.000 0.822 117 P CB -0.182 31.533 31.700 0.025 0.000 0.784 118 A N -0.189 122.647 122.820 0.027 0.000 1.897 118 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 118 A C 2.374 179.977 177.584 0.033 0.000 1.181 118 A CA 2.000 54.052 52.037 0.025 0.000 0.620 118 A CB -1.495 17.515 19.000 0.017 0.000 0.821 118 A HN 0.313 nan 8.150 nan 0.000 0.443 119 S N 0.162 115.881 115.700 0.031 0.000 2.368 119 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 119 S C 2.038 176.688 174.600 0.083 0.000 1.029 119 S CA 1.145 59.365 58.200 0.035 0.000 0.988 119 S CB -0.526 62.676 63.200 0.005 0.000 0.838 119 S HN 0.581 nan 8.310 nan 0.000 0.462 120 R N 1.678 122.233 120.500 0.090 0.000 2.083 120 R HA 0.007 4.347 4.340 -0.000 0.000 0.237 120 R C 2.821 179.201 176.300 0.133 0.000 1.137 120 R CA 1.389 57.578 56.100 0.147 0.000 0.951 120 R CB -0.964 29.402 30.300 0.111 0.000 0.851 120 R HN 0.581 nan 8.270 nan 0.000 0.434 121 A N 1.636 124.499 122.820 0.073 0.000 1.883 121 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 121 A C 2.117 179.721 177.584 0.033 0.000 1.186 121 A CA 1.715 53.775 52.037 0.039 0.000 0.624 121 A CB -0.438 18.577 19.000 0.025 0.000 0.822 121 A HN 0.271 nan 8.150 nan 0.000 0.444 122 K N -1.639 118.792 120.400 0.053 0.000 2.057 122 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 122 K C 1.844 178.485 176.600 0.068 0.000 1.049 122 K CA 1.699 58.014 56.287 0.048 0.000 0.931 122 K CB -0.347 32.184 32.500 0.050 0.000 0.714 122 K HN 0.395 nan 8.250 nan 0.000 0.440 123 F N 1.429 121.362 119.950 -0.028 0.000 2.102 123 F HA -0.092 4.435 4.527 0.000 0.000 0.298 123 F C 2.005 177.796 175.800 -0.014 0.000 1.105 123 F CA 1.416 59.394 58.000 -0.036 0.000 1.239 123 F CB -0.813 38.157 39.000 -0.050 0.000 0.991 123 F HN 0.094 nan 8.300 nan 0.000 0.474 124 A N 0.321 122.983 122.820 -0.264 0.000 1.883 124 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 124 A C 2.170 179.610 177.584 -0.241 0.000 1.186 124 A CA 1.988 53.830 52.037 -0.326 0.000 0.624 124 A CB -1.015 17.915 19.000 -0.118 0.000 0.822 124 A HN 0.635 nan 8.150 nan 0.000 0.444 125 Q N -0.011 119.710 119.800 -0.131 0.000 2.170 125 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 125 Q C 2.412 178.355 176.000 -0.094 0.000 0.976 125 Q CA 1.786 57.536 55.803 -0.089 0.000 0.858 125 Q CB -0.309 28.402 28.738 -0.044 0.000 0.907 125 Q HN 0.875 nan 8.270 nan 0.000 0.433 126 S N -0.450 115.180 115.700 -0.116 0.000 2.423 126 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 126 S C 2.115 176.658 174.600 -0.095 0.000 1.014 126 S CA 0.829 58.982 58.200 -0.078 0.000 0.965 126 S CB -0.483 62.694 63.200 -0.038 0.000 0.785 126 S HN 0.374 nan 8.310 nan 0.000 0.495 127 C N 1.098 120.277 119.300 -0.202 0.000 2.453 127 C HA 0.080 4.540 4.460 -0.000 0.000 0.277 127 C C 2.781 177.799 174.990 0.047 0.000 1.262 127 C CA 0.610 59.586 59.018 -0.069 0.000 1.718 127 C CB -1.304 26.282 27.740 -0.256 0.000 2.031 127 C HN 0.535 nan 8.230 nan 0.000 0.480 128 V N 0.984 120.871 119.914 -0.046 0.000 2.427 128 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 128 V C 2.605 178.690 176.094 -0.016 0.000 1.051 128 V CA 2.065 64.340 62.300 -0.042 0.000 1.048 128 V CB -0.776 30.997 31.823 -0.083 0.000 0.666 128 V HN 0.519 nan 8.190 nan 0.000 0.456 129 R N 0.021 120.514 120.500 -0.012 0.000 2.073 129 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 129 R C 2.282 178.619 176.300 0.061 0.000 1.134 129 R CA 1.779 57.885 56.100 0.011 0.000 0.952 129 R CB -0.210 30.096 30.300 0.010 0.000 0.850 129 R HN 0.317 nan 8.270 nan 0.000 0.433 130 I N 1.090 121.697 120.570 0.062 0.000 2.226 130 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 130 I C 2.491 178.701 176.117 0.155 0.000 1.100 130 I CA 1.366 62.728 61.300 0.102 0.000 1.374 130 I CB -0.922 36.936 38.000 -0.236 0.000 1.057 130 I HN 0.452 nan 8.210 nan 0.000 0.413 131 M N 0.346 120.024 119.600 0.130 0.000 2.065 131 M HA -0.258 4.222 4.480 -0.000 0.000 0.259 131 M C 2.196 178.615 176.300 0.197 0.000 1.069 131 M CA 1.872 57.361 55.300 0.316 0.000 1.110 131 M CB -0.114 32.652 32.600 0.276 0.000 1.328 131 M HN -0.015 nan 8.290 nan 0.000 0.405 132 K N 0.192 120.631 120.400 0.065 0.000 2.062 132 K HA -0.135 4.184 4.320 -0.000 0.000 0.205 132 K C 1.683 178.276 176.600 -0.012 0.000 1.051 132 K CA 1.490 57.783 56.287 0.010 0.000 0.941 132 K CB -0.875 31.607 32.500 -0.029 0.000 0.719 132 K HN 0.424 nan 8.250 nan 0.000 0.440 133 D N -0.296 120.097 120.400 -0.011 0.000 2.144 133 D HA -0.151 4.488 4.640 -0.000 0.000 0.199 133 D C 1.353 177.429 176.300 -0.375 0.000 0.984 133 D CA 1.197 55.092 54.000 -0.176 0.000 0.834 133 D CB 0.079 40.774 40.800 -0.176 0.000 0.955 133 D HN 0.201 nan 8.370 nan 0.000 0.465 134 Y N -1.069 119.180 120.300 -0.084 0.000 2.478 134 Y HA 0.318 4.868 4.550 -0.000 0.000 0.261 134 Y C 1.761 177.414 175.900 -0.412 0.000 1.127 134 Y CA 0.471 58.428 58.100 -0.238 0.000 1.288 134 Y CB 0.714 39.050 38.460 -0.207 0.000 1.084 134 Y HN 0.068 nan 8.280 nan 0.000 0.530 135 G N -0.257 108.456 108.800 -0.145 0.000 2.142 135 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.225 135 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.225 135 G C -0.194 174.659 174.900 -0.080 0.000 1.015 135 G CA -0.521 44.507 45.100 -0.121 0.000 0.716 135 G HN 0.119 nan 8.290 nan 0.000 0.508 136 F N 0.321 120.361 119.950 0.151 0.000 2.378 136 F HA 0.446 4.973 4.527 -0.000 0.000 0.319 136 F C 1.386 177.335 175.800 0.248 0.000 1.155 136 F CA -0.431 57.698 58.000 0.215 0.000 1.157 136 F CB 0.666 39.881 39.000 0.358 0.000 1.252 136 F HN -0.004 nan 8.300 nan 0.000 0.550 137 D N 0.239 120.933 120.400 0.490 0.000 2.369 137 D HA 0.299 4.939 4.640 -0.000 0.000 0.211 137 D C 0.641 177.192 176.300 0.418 0.000 1.077 137 D CA 0.464 54.719 54.000 0.425 0.000 0.842 137 D CB 0.738 41.686 40.800 0.247 0.000 0.947 137 D HN 0.637 nan 8.370 nan 0.000 0.509 138 G N -0.381 108.607 108.800 0.313 0.000 2.313 138 G HA2 0.312 4.272 3.960 -0.000 0.000 0.296 138 G HA3 0.312 4.272 3.960 -0.000 0.000 0.296 138 G C -1.871 172.955 174.900 -0.124 0.000 1.356 138 G CA -0.629 44.557 45.100 0.144 0.000 0.833 138 G HN -0.058 nan 8.290 nan 0.000 0.552 139 V N 0.453 120.205 119.914 -0.270 0.000 2.656 139 V HA 0.675 4.795 4.120 -0.000 0.000 0.307 139 V C -1.015 174.860 176.094 -0.364 0.000 1.051 139 V CA -0.472 61.444 62.300 -0.640 0.000 0.893 139 V CB 1.876 33.424 31.823 -0.457 0.000 0.999 139 V HN 0.936 nan 8.190 nan 0.000 0.426 140 D N 3.403 123.564 120.400 -0.397 0.000 2.505 140 D HA 0.627 5.267 4.640 -0.000 0.000 0.249 140 D C -1.011 175.279 176.300 -0.016 0.000 1.082 140 D CA -0.275 53.650 54.000 -0.125 0.000 0.839 140 D CB 1.546 42.295 40.800 -0.085 0.000 1.317 140 D HN 0.452 nan 8.370 nan 0.000 0.497 141 I N 2.719 123.361 120.570 0.120 0.000 2.406 141 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 141 I C -0.714 175.579 176.117 0.294 0.000 0.999 141 I CA -0.759 60.694 61.300 0.254 0.000 1.124 141 I CB 1.897 40.114 38.000 0.362 0.000 1.289 141 I HN 0.287 nan 8.210 nan 0.000 0.441 142 D N 5.925 126.497 120.400 0.285 0.000 2.683 142 D HA 0.094 4.734 4.640 -0.000 0.000 0.309 142 D C -0.864 175.463 176.300 0.045 0.000 1.238 142 D CA -0.189 53.922 54.000 0.185 0.000 0.936 142 D CB 0.396 41.338 40.800 0.236 0.000 1.001 142 D HN 0.315 nan 8.370 nan 0.000 0.505 143 W N 2.125 123.320 121.300 -0.175 0.000 2.335 143 W HA 0.281 4.941 4.660 -0.000 0.000 0.306 143 W C -0.371 175.781 176.519 -0.613 0.000 1.216 143 W CA -0.922 56.172 57.345 -0.417 0.000 1.237 143 W CB 0.435 29.698 29.460 -0.329 0.000 1.243 143 W HN 0.075 nan 8.180 nan 0.000 0.493 144 E N 6.837 126.766 120.200 -0.453 0.000 2.546 144 E HA 0.219 4.569 4.350 -0.000 0.000 0.227 144 E C -1.520 174.587 176.600 -0.823 0.000 1.009 144 E CA -0.323 55.231 56.400 -1.410 0.000 0.813 144 E CB 0.709 29.701 29.700 -1.179 0.000 1.269 144 E HN 0.293 nan 8.360 nan 0.000 0.432 145 Y N 0.354 120.516 120.300 -0.229 0.000 2.581 145 Y HA 0.276 4.826 4.550 -0.000 0.000 0.337 145 Y C -2.403 173.062 175.900 -0.725 0.000 1.108 145 Y CA -2.635 55.198 58.100 -0.445 0.000 1.033 145 Y CB 1.565 39.910 38.460 -0.191 0.000 1.318 145 Y HN 0.224 nan 8.280 nan 0.000 0.459 146 P HA 0.077 nan 4.420 nan 0.000 0.268 146 P C -1.118 175.951 177.300 -0.385 0.000 1.205 146 P CA -0.022 62.304 63.100 -1.290 0.000 0.771 146 P CB 1.010 31.615 31.700 -1.825 0.000 0.858 147 Q N 0.965 120.666 119.800 -0.166 0.000 2.199 147 Q HA 0.430 4.770 4.340 -0.000 0.000 0.232 147 Q C 1.658 177.643 176.000 -0.024 0.000 0.969 147 Q CA -0.698 55.092 55.803 -0.021 0.000 0.925 147 Q CB 0.769 29.535 28.738 0.047 0.000 1.198 147 Q HN 0.444 nan 8.270 nan 0.000 0.494 148 A N 1.047 123.871 122.820 0.006 0.000 1.940 148 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 148 A C 1.989 179.583 177.584 0.016 0.000 1.190 148 A CA 2.418 54.462 52.037 0.011 0.000 0.647 148 A CB -1.103 17.901 19.000 0.006 0.000 0.821 148 A HN 0.818 nan 8.150 nan 0.000 0.457 149 A N -0.945 121.889 122.820 0.023 0.000 2.066 149 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 149 A C 1.751 179.362 177.584 0.044 0.000 1.157 149 A CA 1.498 53.556 52.037 0.035 0.000 0.670 149 A CB -0.307 18.717 19.000 0.041 0.000 0.804 149 A HN 0.645 nan 8.150 nan 0.000 0.453 150 E N -0.797 119.422 120.200 0.031 0.000 2.452 150 E HA 0.072 4.422 4.350 -0.000 0.000 0.197 150 E C 1.550 178.165 176.600 0.025 0.000 1.022 150 E CA 0.240 56.668 56.400 0.048 0.000 0.890 150 E CB 0.237 29.962 29.700 0.042 0.000 0.918 150 E HN 0.345 nan 8.360 nan 0.000 0.496 151 V N 1.827 121.743 119.914 0.003 0.000 2.343 151 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 151 V C 1.536 177.700 176.094 0.118 0.000 1.051 151 V CA 1.888 64.219 62.300 0.052 0.000 1.036 151 V CB -0.315 31.541 31.823 0.056 0.000 0.654 151 V HN 0.257 nan 8.190 nan 0.000 0.451 152 D N 0.690 121.141 120.400 0.085 0.000 2.144 152 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 152 D C 2.202 178.559 176.300 0.094 0.000 0.984 152 D CA 1.597 55.643 54.000 0.078 0.000 0.834 152 D CB -0.451 40.383 40.800 0.057 0.000 0.955 152 D HN 0.490 nan 8.370 nan 0.000 0.465 153 G N 0.135 109.008 108.800 0.121 0.000 2.402 153 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 153 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 153 G C 1.446 176.469 174.900 0.205 0.000 1.162 153 G CA 0.115 45.300 45.100 0.141 0.000 0.777 153 G HN 0.184 nan 8.290 nan 0.000 0.539 154 F N 1.633 121.623 119.950 0.067 0.000 2.095 154 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 154 F C 2.471 178.305 175.800 0.058 0.000 1.104 154 F CA 1.030 59.079 58.000 0.081 0.000 1.232 154 F CB -0.389 38.579 39.000 -0.054 0.000 0.987 154 F HN 0.102 nan 8.300 nan 0.000 0.475 155 I N 0.106 120.673 120.570 -0.006 0.000 2.163 155 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 155 I C 2.660 178.729 176.117 -0.079 0.000 1.085 155 I CA 1.406 62.639 61.300 -0.112 0.000 1.347 155 I CB -0.955 37.038 38.000 -0.012 0.000 1.044 155 I HN 0.223 nan 8.210 nan 0.000 0.408 156 A N 0.533 123.350 122.820 -0.004 0.000 1.972 156 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 156 A C 2.491 180.081 177.584 0.011 0.000 1.169 156 A CA 1.825 53.867 52.037 0.009 0.000 0.635 156 A CB -0.724 18.299 19.000 0.037 0.000 0.810 156 A HN 0.461 nan 8.150 nan 0.000 0.446 157 A N -0.328 122.511 122.820 0.033 0.000 1.929 157 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 157 A C 2.133 179.718 177.584 0.002 0.000 1.176 157 A CA 1.267 53.355 52.037 0.085 0.000 0.628 157 A CB -0.496 18.638 19.000 0.223 0.000 0.816 157 A HN 0.461 nan 8.150 nan 0.000 0.444 158 L N -0.853 120.292 121.223 -0.129 0.000 2.046 158 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 158 L C 2.880 179.691 176.870 -0.099 0.000 1.077 158 L CA 1.606 56.344 54.840 -0.170 0.000 0.747 158 L CB -0.680 41.188 42.059 -0.318 0.000 0.896 158 L HN 0.473 nan 8.230 nan 0.000 0.432 159 Q N -0.313 119.439 119.800 -0.079 0.000 2.096 159 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 159 Q C 2.109 178.089 176.000 -0.033 0.000 0.982 159 Q CA 1.813 57.587 55.803 -0.048 0.000 0.850 159 Q CB -0.087 28.632 28.738 -0.033 0.000 0.901 159 Q HN 0.349 nan 8.270 nan 0.000 0.422 160 E N 0.995 121.181 120.200 -0.023 0.000 2.051 160 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 160 E C 1.665 178.244 176.600 -0.035 0.000 0.991 160 E CA 1.113 57.503 56.400 -0.017 0.000 0.799 160 E CB -0.154 29.547 29.700 0.003 0.000 0.748 160 E HN 0.342 nan 8.360 nan 0.000 0.449 161 I N 0.213 120.752 120.570 -0.052 0.000 2.226 161 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 161 I C 2.510 178.595 176.117 -0.053 0.000 1.100 161 I CA 1.149 62.403 61.300 -0.076 0.000 1.374 161 I CB -0.295 37.645 38.000 -0.101 0.000 1.057 161 I HN 0.091 nan 8.210 nan 0.000 0.413 162 R N 1.205 121.678 120.500 -0.045 0.000 2.091 162 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 162 R C 2.105 178.396 176.300 -0.015 0.000 1.136 162 R CA 2.387 58.469 56.100 -0.029 0.000 0.959 162 R CB -1.281 28.999 30.300 -0.034 0.000 0.856 162 R HN 0.218 nan 8.270 nan 0.000 0.437 163 T N 1.301 115.845 114.554 -0.018 0.000 2.708 163 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 163 T C 1.746 176.443 174.700 -0.006 0.000 1.037 163 T CA 1.693 63.788 62.100 -0.009 0.000 1.146 163 T CB -0.201 68.661 68.868 -0.010 0.000 0.865 163 T HN 0.168 nan 8.240 nan 0.000 0.435 164 L N 0.311 121.524 121.223 -0.017 0.000 2.093 164 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 164 L C 2.488 179.352 176.870 -0.011 0.000 1.085 164 L CA 0.989 55.817 54.840 -0.021 0.000 0.755 164 L CB -0.612 41.421 42.059 -0.043 0.000 0.904 164 L HN 0.248 nan 8.230 nan 0.000 0.435 165 L N -0.357 120.862 121.223 -0.006 0.000 2.056 165 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 165 L C 2.343 179.280 176.870 0.111 0.000 1.078 165 L CA 1.000 55.861 54.840 0.036 0.000 0.749 165 L CB -0.604 41.486 42.059 0.052 0.000 0.901 165 L HN 0.327 nan 8.230 nan 0.000 0.433 166 N N -0.010 118.730 118.700 0.067 0.000 2.120 166 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 166 N C 1.881 177.431 175.510 0.066 0.000 1.024 166 N CA 1.184 54.272 53.050 0.063 0.000 0.852 166 N CB -0.177 38.328 38.487 0.029 0.000 1.003 166 N HN 0.395 nan 8.380 nan 0.000 0.424 167 Q N -0.155 119.674 119.800 0.048 0.000 2.119 167 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 167 Q C 1.855 177.896 176.000 0.070 0.000 0.972 167 Q CA 1.031 56.859 55.803 0.043 0.000 0.847 167 Q CB -0.044 28.708 28.738 0.023 0.000 0.903 167 Q HN 0.277 nan 8.270 nan 0.000 0.433 168 Q N 0.032 119.887 119.800 0.092 0.000 2.119 168 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 168 Q C 1.837 178.012 176.000 0.292 0.000 0.972 168 Q CA 1.684 57.571 55.803 0.140 0.000 0.847 168 Q CB -0.192 28.564 28.738 0.029 0.000 0.903 168 Q HN 0.239 nan 8.270 nan 0.000 0.433 169 T N 0.794 115.538 114.554 0.316 0.000 2.759 169 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 169 T C 1.446 176.186 174.700 0.066 0.000 1.042 169 T CA 1.227 63.425 62.100 0.163 0.000 1.140 169 T CB -0.105 68.809 68.868 0.076 0.000 0.864 169 T HN 0.205 nan 8.240 nan 0.000 0.455 170 I N 1.372 121.982 120.570 0.066 0.000 2.286 170 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 170 I C 2.617 178.757 176.117 0.039 0.000 1.104 170 I CA 1.374 62.694 61.300 0.035 0.000 1.397 170 I CB -1.836 36.181 38.000 0.028 0.000 1.072 170 I HN 0.225 nan 8.210 nan 0.000 0.417 171 T N 0.902 115.490 114.554 0.057 0.000 2.833 171 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 171 T C 1.187 175.921 174.700 0.056 0.000 1.054 171 T CA 1.361 63.490 62.100 0.050 0.000 1.135 171 T CB -0.166 68.733 68.868 0.052 0.000 0.869 171 T HN 0.252 nan 8.240 nan 0.000 0.466 172 D N 0.068 120.521 120.400 0.088 0.000 2.339 172 D HA 0.247 4.887 4.640 -0.000 0.000 0.217 172 D C 1.455 177.769 176.300 0.022 0.000 1.050 172 D CA 0.355 54.404 54.000 0.081 0.000 0.856 172 D CB -0.187 40.720 40.800 0.177 0.000 0.922 172 D HN 0.427 nan 8.370 nan 0.000 0.518 173 G N 1.735 110.538 108.800 0.006 0.000 2.221 173 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 173 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 173 G C 0.831 175.700 174.900 -0.052 0.000 1.041 173 G CA -0.210 44.879 45.100 -0.018 0.000 0.807 173 G HN 0.204 nan 8.290 nan 0.000 0.502 174 R N -0.553 119.892 120.500 -0.091 0.000 2.555 174 R HA 0.169 4.509 4.340 -0.000 0.000 0.272 174 R C 1.979 178.195 176.300 -0.140 0.000 1.089 174 R CA 0.183 56.180 56.100 -0.171 0.000 1.126 174 R CB 0.124 30.188 30.300 -0.394 0.000 1.250 174 R HN 0.547 nan 8.270 nan 0.000 0.551 175 Q N 0.382 120.134 119.800 -0.080 0.000 2.197 175 Q HA -0.118 4.222 4.340 -0.000 0.000 0.207 175 Q C 1.952 177.916 176.000 -0.059 0.000 0.984 175 Q CA 2.152 57.920 55.803 -0.058 0.000 0.869 175 Q CB -0.200 28.516 28.738 -0.036 0.000 0.906 175 Q HN 0.347 nan 8.270 nan 0.000 0.426 176 A N -0.821 121.962 122.820 -0.062 0.000 2.066 176 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 176 A C 0.784 178.331 177.584 -0.063 0.000 1.157 176 A CA 0.575 52.581 52.037 -0.052 0.000 0.670 176 A CB 0.275 19.248 19.000 -0.044 0.000 0.804 176 A HN 0.278 nan 8.150 nan 0.000 0.453 177 L N -0.050 121.114 121.223 -0.098 0.000 2.435 177 L HA 0.382 4.722 4.340 -0.000 0.000 0.259 177 L C -2.957 173.804 176.870 -0.180 0.000 1.563 177 L CA -1.742 53.032 54.840 -0.110 0.000 0.789 177 L CB 1.418 43.413 42.059 -0.108 0.000 0.989 177 L HN -0.136 nan 8.230 nan 0.000 0.522 178 P HA 0.035 nan 4.420 nan 0.000 0.268 178 P C -0.968 176.256 177.300 -0.127 0.000 1.208 178 P CA 0.288 63.292 63.100 -0.160 0.000 0.777 178 P CB 0.206 31.874 31.700 -0.054 0.000 0.875 179 Y N 0.790 121.107 120.300 0.028 0.000 2.497 179 Y HA 0.136 4.686 4.550 -0.000 0.000 0.334 179 Y C 1.356 177.275 175.900 0.033 0.000 1.199 179 Y CA 0.834 58.959 58.100 0.042 0.000 1.425 179 Y CB 0.136 38.622 38.460 0.042 0.000 1.291 179 Y HN 0.321 nan 8.280 nan 0.000 0.562 180 Q N 1.650 121.581 119.800 0.218 0.000 2.416 180 Q HA 0.664 5.004 4.340 -0.000 0.000 0.279 180 Q C -1.732 174.313 176.000 0.074 0.000 1.101 180 Q CA -1.378 54.502 55.803 0.129 0.000 0.830 180 Q CB 2.783 31.623 28.738 0.171 0.000 1.402 180 Q HN 0.508 nan 8.270 nan 0.000 0.445 181 L N 0.902 122.144 121.223 0.031 0.000 2.406 181 L HA 0.608 4.948 4.340 -0.000 0.000 0.272 181 L C -1.116 175.758 176.870 0.006 0.000 0.980 181 L CA 0.079 54.913 54.840 -0.011 0.000 0.831 181 L CB 2.042 44.081 42.059 -0.032 0.000 1.253 181 L HN 0.813 nan 8.230 nan 0.000 0.406 182 T N 2.908 117.470 114.554 0.013 0.000 2.865 182 T HA 0.841 5.191 4.350 -0.000 0.000 0.294 182 T C -0.374 174.366 174.700 0.067 0.000 1.119 182 T CA -0.635 61.498 62.100 0.056 0.000 1.007 182 T CB 1.634 70.549 68.868 0.078 0.000 1.225 182 T HN 0.828 nan 8.240 nan 0.000 0.515 183 I N -1.636 119.001 120.570 0.112 0.000 2.969 183 I HA 0.896 5.066 4.170 -0.000 0.000 0.307 183 I C -0.648 175.579 176.117 0.183 0.000 1.149 183 I CA -1.847 59.554 61.300 0.168 0.000 1.008 183 I CB 1.853 39.984 38.000 0.219 0.000 1.232 183 I HN 0.943 nan 8.210 nan 0.000 0.435 184 A N 2.545 125.495 122.820 0.216 0.000 2.309 184 A HA 0.825 5.145 4.320 -0.000 0.000 0.298 184 A C 0.121 177.838 177.584 0.221 0.000 1.165 184 A CA -0.031 52.137 52.037 0.219 0.000 0.821 184 A CB 0.551 19.694 19.000 0.238 0.000 1.102 184 A HN 1.121 nan 8.150 nan 0.000 0.500 185 G N 0.050 108.986 108.800 0.226 0.000 2.511 185 G HA2 0.661 4.621 3.960 -0.000 0.000 0.318 185 G HA3 0.661 4.621 3.960 -0.000 0.000 0.318 185 G C 0.068 175.153 174.900 0.308 0.000 1.210 185 G CA -0.095 45.196 45.100 0.318 0.000 0.969 185 G HN 1.390 nan 8.290 nan 0.000 0.484 186 A N -0.738 122.261 122.820 0.298 0.000 2.483 186 A HA 0.526 4.846 4.320 -0.000 0.000 0.238 186 A C 1.287 178.912 177.584 0.070 0.000 1.070 186 A CA 0.569 52.618 52.037 0.019 0.000 0.770 186 A CB 0.450 19.243 19.000 -0.344 0.000 1.008 186 A HN 1.549 nan 8.150 nan 0.000 0.497 187 G N 0.789 109.593 108.800 0.007 0.000 3.575 187 G HA2 0.484 4.444 3.960 -0.000 0.000 0.273 187 G HA3 0.484 4.444 3.960 -0.000 0.000 0.273 187 G C 0.354 175.254 174.900 -0.000 0.000 1.053 187 G CA 0.577 45.674 45.100 -0.005 0.000 0.803 187 G HN 1.266 nan 8.290 nan 0.000 0.528 188 G N -1.561 107.234 108.800 -0.008 0.000 2.667 188 G HA2 0.544 4.504 3.960 -0.000 0.000 0.298 188 G HA3 0.544 4.504 3.960 -0.000 0.000 0.298 188 G C 0.723 175.534 174.900 -0.148 0.000 1.377 188 G CA 0.301 45.381 45.100 -0.034 0.000 0.964 188 G HN 0.322 nan 8.290 nan 0.000 0.493 189 A N 0.778 123.434 122.820 -0.274 0.000 1.978 189 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 189 A C 1.918 179.176 177.584 -0.543 0.000 1.170 189 A CA 1.665 53.400 52.037 -0.503 0.000 0.636 189 A CB -0.551 18.077 19.000 -0.620 0.000 0.810 189 A HN 0.599 nan 8.150 nan 0.000 0.448 190 F N -1.402 118.415 119.950 -0.221 0.000 2.102 190 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 190 F C 1.959 177.525 175.800 -0.391 0.000 1.105 190 F CA 1.374 59.179 58.000 -0.326 0.000 1.239 190 F CB -0.783 37.963 39.000 -0.423 0.000 0.991 190 F HN 0.226 nan 8.300 nan 0.000 0.474 191 F N -1.160 118.711 119.950 -0.133 0.000 2.473 191 F HA 0.037 4.564 4.527 -0.000 0.000 0.294 191 F C 2.082 177.573 175.800 -0.516 0.000 1.103 191 F CA 0.174 57.977 58.000 -0.329 0.000 1.442 191 F CB -0.880 37.758 39.000 -0.603 0.000 1.097 191 F HN -0.122 nan 8.300 nan 0.000 0.547 192 L N 0.465 121.468 121.223 -0.367 0.000 2.131 192 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 192 L C 2.537 178.992 176.870 -0.691 0.000 1.092 192 L CA 1.985 56.431 54.840 -0.656 0.000 0.759 192 L CB -1.137 40.639 42.059 -0.472 0.000 0.903 192 L HN 0.174 nan 8.230 nan 0.000 0.435 193 S N -1.021 114.387 115.700 -0.486 0.000 2.440 193 S HA -0.245 4.225 4.470 -0.000 0.000 0.238 193 S C 2.079 176.513 174.600 -0.276 0.000 1.010 193 S CA 1.034 58.990 58.200 -0.406 0.000 0.972 193 S CB -0.687 62.303 63.200 -0.349 0.000 0.774 193 S HN 0.563 nan 8.310 nan 0.000 0.501 194 R N 0.282 120.635 120.500 -0.244 0.000 2.096 194 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 194 R C 1.578 177.873 176.300 -0.010 0.000 1.127 194 R CA 1.853 57.904 56.100 -0.082 0.000 0.968 194 R CB -0.298 30.030 30.300 0.047 0.000 0.861 194 R HN 0.911 nan 8.270 nan 0.000 0.440 195 Y N -5.248 115.020 120.300 -0.053 0.000 2.672 195 Y HA 0.231 4.780 4.550 -0.000 0.000 0.252 195 Y C 1.218 177.113 175.900 -0.008 0.000 1.132 195 Y CA -1.252 56.826 58.100 -0.037 0.000 1.228 195 Y CB -0.728 37.703 38.460 -0.048 0.000 1.310 195 Y HN -0.118 nan 8.280 nan 0.000 0.549 196 Y N 2.701 122.783 120.300 -0.362 0.000 2.151 196 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 196 Y C 2.677 178.486 175.900 -0.151 0.000 1.166 196 Y CA 2.474 60.387 58.100 -0.313 0.000 1.163 196 Y CB -0.406 37.798 38.460 -0.427 0.000 0.974 196 Y HN 0.360 nan 8.280 nan 0.000 0.511 197 S N -0.651 114.988 115.700 -0.101 0.000 2.440 197 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 197 S C 1.373 175.906 174.600 -0.113 0.000 1.010 197 S CA 1.420 59.524 58.200 -0.160 0.000 0.972 197 S CB -0.403 62.734 63.200 -0.105 0.000 0.774 197 S HN 0.554 nan 8.310 nan 0.000 0.501 198 K N 0.413 120.789 120.400 -0.041 0.000 2.514 198 K HA 0.419 4.739 4.320 -0.000 0.000 0.207 198 K C 1.060 177.672 176.600 0.021 0.000 1.035 198 K CA -0.230 56.060 56.287 0.005 0.000 1.113 198 K CB 0.092 32.622 32.500 0.051 0.000 0.846 198 K HN 0.254 nan 8.250 nan 0.000 0.491 199 L N 0.816 122.013 121.223 -0.044 0.000 2.043 199 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 199 L C 2.369 179.250 176.870 0.018 0.000 1.075 199 L CA 1.689 56.532 54.840 0.004 0.000 0.752 199 L CB -0.363 41.608 42.059 -0.148 0.000 0.891 199 L HN 0.351 nan 8.230 nan 0.000 0.432 200 A N -0.760 122.051 122.820 -0.015 0.000 1.902 200 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 200 A C 2.079 179.671 177.584 0.012 0.000 1.181 200 A CA 1.690 53.731 52.037 0.007 0.000 0.623 200 A CB -0.462 18.541 19.000 0.005 0.000 0.818 200 A HN 0.535 nan 8.150 nan 0.000 0.443 201 Q N -0.667 119.139 119.800 0.011 0.000 2.167 201 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 201 Q C 1.939 177.935 176.000 -0.006 0.000 0.970 201 Q CA 1.304 57.109 55.803 0.005 0.000 0.855 201 Q CB -0.259 28.486 28.738 0.010 0.000 0.911 201 Q HN 0.746 nan 8.270 nan 0.000 0.438 202 I N -0.333 120.244 120.570 0.012 0.000 2.315 202 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 202 I C 1.895 178.003 176.117 -0.016 0.000 1.117 202 I CA 0.780 62.074 61.300 -0.011 0.000 1.404 202 I CB 0.019 38.048 38.000 0.049 0.000 1.071 202 I HN 0.033 nan 8.210 nan 0.000 0.419 203 V N 0.761 120.688 119.914 0.023 0.000 2.871 203 V HA -0.108 4.012 4.120 -0.000 0.000 0.256 203 V C 2.617 178.709 176.094 -0.003 0.000 1.082 203 V CA 1.271 63.587 62.300 0.027 0.000 1.105 203 V CB -0.651 31.212 31.823 0.067 0.000 0.713 203 V HN 0.427 nan 8.190 nan 0.000 0.473 204 A N 1.681 124.494 122.820 -0.010 0.000 1.892 204 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 204 A C 0.782 178.345 177.584 -0.035 0.000 1.188 204 A CA 2.358 54.383 52.037 -0.020 0.000 0.631 204 A CB -1.819 17.172 19.000 -0.016 0.000 0.822 204 A HN 0.600 nan 8.150 nan 0.000 0.447 205 P HA 0.167 nan 4.420 nan 0.000 0.249 205 P C 0.044 177.310 177.300 -0.057 0.000 1.229 205 P CA 0.286 63.354 63.100 -0.053 0.000 0.788 205 P CB -0.070 31.589 31.700 -0.067 0.000 1.072 206 L N 0.014 121.204 121.223 -0.055 0.000 2.421 206 L HA 0.265 4.605 4.340 -0.000 0.000 0.263 206 L C 1.523 178.333 176.870 -0.100 0.000 1.122 206 L CA -0.547 54.261 54.840 -0.054 0.000 0.804 206 L CB 0.606 42.654 42.059 -0.019 0.000 1.150 206 L HN -0.249 nan 8.230 nan 0.000 0.457 207 D N 0.014 120.332 120.400 -0.137 0.000 2.162 207 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 207 D C -0.474 175.480 176.300 -0.578 0.000 0.964 207 D CA 1.650 55.439 54.000 -0.352 0.000 0.847 207 D CB 0.420 41.042 40.800 -0.296 0.000 0.988 207 D HN 0.288 nan 8.370 nan 0.000 0.480 208 Y N -0.760 119.533 120.300 -0.011 0.000 2.571 208 Y HA 0.434 4.984 4.550 -0.000 0.000 0.341 208 Y C -0.620 175.283 175.900 0.005 0.000 1.076 208 Y CA -0.976 57.115 58.100 -0.014 0.000 1.029 208 Y CB 2.138 40.564 38.460 -0.056 0.000 1.308 208 Y HN -0.284 nan 8.280 nan 0.000 0.461 209 I N 2.808 123.499 120.570 0.201 0.000 2.389 209 I HA 0.465 4.635 4.170 -0.000 0.000 0.288 209 I C -1.301 174.888 176.117 0.119 0.000 0.999 209 I CA -0.659 60.730 61.300 0.149 0.000 1.129 209 I CB 0.657 38.746 38.000 0.149 0.000 1.288 209 I HN 0.583 nan 8.210 nan 0.000 0.444 210 N N 8.775 127.545 118.700 0.116 0.000 2.462 210 N HA 0.350 5.090 4.740 -0.000 0.000 0.242 210 N C -0.793 174.775 175.510 0.096 0.000 1.010 210 N CA -0.250 52.857 53.050 0.095 0.000 0.939 210 N CB 1.463 40.021 38.487 0.119 0.000 1.127 210 N HN 0.559 nan 8.380 nan 0.000 0.509 211 L N 1.984 123.231 121.223 0.040 0.000 2.367 211 L HA 0.284 4.624 4.340 -0.000 0.000 0.275 211 L C 1.065 177.916 176.870 -0.033 0.000 1.129 211 L CA -0.024 54.813 54.840 -0.005 0.000 0.839 211 L CB 0.509 42.514 42.059 -0.090 0.000 1.133 211 L HN 0.334 nan 8.230 nan 0.000 0.453 212 M N 3.208 122.737 119.600 -0.118 0.000 3.561 212 M HA 0.081 4.560 4.480 -0.000 0.000 0.230 212 M C 0.346 176.319 176.300 -0.544 0.000 1.387 212 M CA -0.213 54.792 55.300 -0.492 0.000 1.570 212 M CB -0.359 31.981 32.600 -0.433 0.000 1.057 212 M HN 0.554 nan 8.290 nan 0.000 0.607 213 T N -0.335 114.040 114.554 -0.299 0.000 4.099 213 T HA 0.260 4.610 4.350 -0.000 0.000 0.223 213 T C -0.480 174.249 174.700 0.048 0.000 0.968 213 T CA -0.201 61.843 62.100 -0.093 0.000 0.966 213 T CB -1.185 67.687 68.868 0.007 0.000 1.328 213 T HN 0.532 nan 8.240 nan 0.000 0.783 214 Y N -3.184 117.182 120.300 0.111 0.000 2.764 214 Y HA 0.567 5.117 4.550 -0.000 0.000 0.331 214 Y C -0.323 175.672 175.900 0.158 0.000 1.280 214 Y CA -1.847 56.327 58.100 0.123 0.000 1.065 214 Y CB 0.063 38.602 38.460 0.132 0.000 1.319 214 Y HN 0.069 nan 8.280 nan 0.000 0.453 215 D N 0.195 120.885 120.400 0.482 0.000 2.837 215 D HA -0.166 4.474 4.640 -0.000 0.000 0.230 215 D C 0.525 177.056 176.300 0.386 0.000 1.152 215 D CA 1.176 55.449 54.000 0.454 0.000 0.736 215 D CB -0.909 40.138 40.800 0.411 0.000 1.084 215 D HN 0.729 nan 8.370 nan 0.000 0.429 216 L N -1.469 119.915 121.223 0.267 0.000 2.552 216 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 216 L C 1.200 178.194 176.870 0.207 0.000 1.146 216 L CA 0.823 55.774 54.840 0.184 0.000 0.858 216 L CB -0.006 42.096 42.059 0.071 0.000 0.969 216 L HN 0.182 nan 8.230 nan 0.000 0.451 217 A N -0.470 122.497 122.820 0.245 0.000 2.414 217 A HA 0.801 5.121 4.320 -0.000 0.000 0.306 217 A C -0.272 177.258 177.584 -0.090 0.000 1.054 217 A CA -0.030 52.082 52.037 0.125 0.000 0.724 217 A CB 1.583 20.664 19.000 0.135 0.000 1.267 217 A HN 0.108 nan 8.150 nan 0.000 0.418 218 G N 0.208 108.509 108.800 -0.833 0.000 2.645 218 G HA2 0.669 4.629 3.960 -0.000 0.000 0.292 218 G HA3 0.669 4.629 3.960 -0.000 0.000 0.292 218 G C -2.597 171.554 174.900 -1.248 0.000 1.415 218 G CA -0.643 43.324 45.100 -1.889 0.000 0.785 218 G HN 0.339 nan 8.290 nan 0.000 0.483 219 P HA -0.021 nan 4.420 nan 0.000 0.230 219 P C 0.977 178.338 177.300 0.102 0.000 1.158 219 P CA 0.833 63.836 63.100 -0.162 0.000 0.769 219 P CB -0.040 31.634 31.700 -0.044 0.000 0.807 220 W N -0.215 121.205 121.300 0.201 0.000 3.180 220 W HA 0.277 4.937 4.660 -0.000 0.000 0.254 220 W C 0.157 176.773 176.519 0.161 0.000 1.318 220 W CA -0.297 57.135 57.345 0.146 0.000 1.608 220 W CB -0.808 28.698 29.460 0.076 0.000 1.124 220 W HN -0.242 nan 8.180 nan 0.000 0.694 221 E N 1.504 121.688 120.200 -0.028 0.000 2.250 221 E HA 0.101 4.451 4.350 -0.000 0.000 0.269 221 E C 1.106 177.827 176.600 0.202 0.000 1.018 221 E CA -0.380 56.086 56.400 0.110 0.000 0.873 221 E CB 1.285 31.005 29.700 0.033 0.000 1.134 221 E HN -0.120 nan 8.360 nan 0.000 0.403 222 K N -0.033 120.442 120.400 0.124 0.000 2.062 222 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 222 K C 1.189 177.835 176.600 0.077 0.000 1.051 222 K CA 0.926 57.247 56.287 0.057 0.000 0.941 222 K CB -0.953 31.544 32.500 -0.006 0.000 0.719 222 K HN 0.349 nan 8.250 nan 0.000 0.440 223 V N -0.921 119.019 119.914 0.045 0.000 2.864 223 V HA 0.550 4.670 4.120 -0.000 0.000 0.314 223 V C 0.069 176.047 176.094 -0.193 0.000 1.073 223 V CA -1.116 61.170 62.300 -0.023 0.000 0.956 223 V CB 1.399 33.175 31.823 -0.079 0.000 1.023 223 V HN 0.327 nan 8.190 nan 0.000 0.435 224 T N 1.078 115.348 114.554 -0.473 0.000 2.903 224 T HA 0.435 4.785 4.350 -0.000 0.000 0.314 224 T C -0.126 174.187 174.700 -0.645 0.000 1.078 224 T CA 0.160 61.631 62.100 -1.049 0.000 1.114 224 T CB 0.669 68.678 68.868 -1.431 0.000 0.987 224 T HN 1.253 nan 8.240 nan 0.000 0.548 225 N N -0.788 117.596 118.700 -0.528 0.000 3.046 225 N HA 0.222 4.962 4.740 -0.000 0.000 0.243 225 N C -1.999 173.443 175.510 -0.114 0.000 1.452 225 N CA -0.732 52.200 53.050 -0.198 0.000 0.882 225 N CB 0.947 39.459 38.487 0.042 0.000 1.425 225 N HN 0.808 nan 8.380 nan 0.000 0.517 226 H N 0.509 119.670 119.070 0.151 0.000 2.764 226 H HA 0.133 4.689 4.556 -0.000 0.000 0.341 226 H C 0.627 176.028 175.328 0.122 0.000 1.072 226 H CA 0.229 56.357 56.048 0.133 0.000 1.444 226 H CB 1.058 30.851 29.762 0.051 0.000 1.458 226 H HN 0.496 nan 8.280 nan 0.000 0.572 227 Q N 2.003 121.935 119.800 0.221 0.000 2.432 227 Q HA 0.179 4.519 4.340 -0.000 0.000 0.205 227 Q C 0.304 176.411 176.000 0.179 0.000 0.945 227 Q CA 0.798 56.721 55.803 0.200 0.000 0.924 227 Q CB 0.720 29.579 28.738 0.202 0.000 1.016 227 Q HN 0.539 nan 8.270 nan 0.000 0.503 228 A N 0.433 123.341 122.820 0.147 0.000 3.165 228 A HA 0.665 4.985 4.320 -0.000 0.000 0.212 228 A C -0.110 177.492 177.584 0.030 0.000 0.935 228 A CA -0.240 51.862 52.037 0.108 0.000 1.100 228 A CB 0.128 19.218 19.000 0.149 0.000 1.260 228 A HN 0.366 nan 8.150 nan 0.000 0.532 229 A N 0.070 122.906 122.820 0.025 0.000 2.546 229 A HA 0.390 4.710 4.320 -0.000 0.000 0.243 229 A C 1.179 178.675 177.584 -0.147 0.000 1.063 229 A CA 0.293 52.287 52.037 -0.073 0.000 0.757 229 A CB 0.067 19.057 19.000 -0.017 0.000 0.991 229 A HN 1.397 nan 8.150 nan 0.000 0.503 230 L N 2.940 124.006 121.223 -0.261 0.000 2.044 230 L HA 0.263 4.603 4.340 -0.000 0.000 0.205 230 L C 0.061 176.558 176.870 -0.621 0.000 1.075 230 L CA 1.748 56.282 54.840 -0.511 0.000 0.747 230 L CB -0.432 41.236 42.059 -0.651 0.000 0.903 230 L HN 0.605 nan 8.230 nan 0.000 0.435 231 F N -1.308 118.582 119.950 -0.100 0.000 2.631 231 F HA 0.661 5.188 4.527 -0.000 0.000 0.328 231 F C 0.867 176.639 175.800 -0.047 0.000 1.067 231 F CA -0.882 57.089 58.000 -0.048 0.000 0.969 231 F CB 0.547 39.528 39.000 -0.030 0.000 1.332 231 F HN -0.140 nan 8.300 nan 0.000 0.490 232 G N -0.298 108.627 108.800 0.208 0.000 2.448 232 G HA2 0.407 4.367 3.960 -0.000 0.000 0.285 232 G HA3 0.407 4.367 3.960 -0.000 0.000 0.285 232 G C -1.668 173.259 174.900 0.044 0.000 1.176 232 G CA -0.237 44.918 45.100 0.092 0.000 0.852 232 G HN 0.492 nan 8.290 nan 0.000 0.530 233 D N 0.861 121.265 120.400 0.005 0.000 2.414 233 D HA 0.436 5.076 4.640 -0.000 0.000 0.232 233 D C 1.226 177.478 176.300 -0.080 0.000 1.070 233 D CA -0.182 53.810 54.000 -0.013 0.000 0.839 233 D CB 1.526 42.360 40.800 0.056 0.000 1.079 233 D HN 0.300 nan 8.370 nan 0.000 0.521 234 A N 3.622 126.408 122.820 -0.058 0.000 2.032 234 A HA -0.113 4.207 4.320 -0.000 0.000 0.221 234 A C 1.922 179.425 177.584 -0.135 0.000 1.165 234 A CA 1.971 53.960 52.037 -0.080 0.000 0.645 234 A CB -0.336 18.636 19.000 -0.047 0.000 0.807 234 A HN 0.615 nan 8.150 nan 0.000 0.453 235 A N -0.669 122.068 122.820 -0.139 0.000 2.119 235 A HA 0.429 4.749 4.320 -0.000 0.000 0.216 235 A C 1.469 178.720 177.584 -0.556 0.000 1.152 235 A CA 0.926 52.854 52.037 -0.182 0.000 0.708 235 A CB -0.748 18.262 19.000 0.017 0.000 0.805 235 A HN 0.709 nan 8.150 nan 0.000 0.460 236 G N 0.058 108.360 108.800 -0.829 0.000 2.557 236 G HA2 0.483 4.443 3.960 -0.000 0.000 0.292 236 G HA3 0.483 4.443 3.960 -0.000 0.000 0.292 236 G C -2.339 172.169 174.900 -0.654 0.000 1.237 236 G CA -1.206 43.059 45.100 -1.392 0.000 0.978 236 G HN 0.204 nan 8.290 nan 0.000 0.498 237 P HA 0.263 nan 4.420 nan 0.000 0.274 237 P C -0.169 176.923 177.300 -0.347 0.000 1.246 237 P CA -0.032 62.831 63.100 -0.396 0.000 0.795 237 P CB 1.100 32.565 31.700 -0.391 0.000 1.006 238 T N -2.112 112.172 114.554 -0.451 0.000 2.907 238 T HA 0.761 5.111 4.350 -0.000 0.000 0.290 238 T C -0.695 173.648 174.700 -0.595 0.000 1.066 238 T CA -0.524 61.387 62.100 -0.314 0.000 1.012 238 T CB 0.984 69.763 68.868 -0.149 0.000 1.184 238 T HN 0.205 nan 8.240 nan 0.000 0.522 239 F N -0.668 119.222 119.950 -0.101 0.000 2.629 239 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 239 F C -0.566 175.396 175.800 0.270 0.000 1.081 239 F CA -1.534 56.523 58.000 0.093 0.000 0.954 239 F CB 1.381 40.437 39.000 0.092 0.000 1.337 239 F HN 0.740 nan 8.300 nan 0.000 0.474 240 Y N 1.779 122.359 120.300 0.466 0.000 2.465 240 Y HA 0.101 4.651 4.550 -0.000 0.000 0.331 240 Y C 0.375 176.454 175.900 0.297 0.000 1.102 240 Y CA -0.150 58.151 58.100 0.336 0.000 1.358 240 Y CB 0.299 38.944 38.460 0.308 0.000 1.213 240 Y HN 0.594 nan 8.280 nan 0.000 0.525 241 N N 5.008 123.650 118.700 -0.097 0.000 2.508 241 N HA 0.241 4.981 4.740 -0.000 0.000 0.253 241 N C 0.717 176.004 175.510 -0.372 0.000 1.145 241 N CA 0.277 53.152 53.050 -0.292 0.000 0.973 241 N CB 0.403 38.634 38.487 -0.427 0.000 1.305 241 N HN 0.887 nan 8.380 nan 0.000 0.506 242 A N 3.822 126.499 122.820 -0.238 0.000 2.076 242 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 242 A C 1.864 179.189 177.584 -0.432 0.000 1.160 242 A CA 0.888 52.837 52.037 -0.146 0.000 0.653 242 A CB -0.316 18.533 19.000 -0.252 0.000 0.801 242 A HN 0.733 nan 8.150 nan 0.000 0.455 243 L N -0.375 120.372 121.223 -0.793 0.000 2.275 243 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 243 L C 2.668 178.767 176.870 -1.285 0.000 1.119 243 L CA 1.395 55.499 54.840 -1.226 0.000 0.790 243 L CB -0.515 40.400 42.059 -1.907 0.000 0.919 243 L HN 0.610 nan 8.230 nan 0.000 0.443 244 R N -0.117 119.834 120.500 -0.914 0.000 2.285 244 R HA -0.108 4.232 4.340 -0.000 0.000 0.213 244 R C 1.099 177.240 176.300 -0.266 0.000 1.068 244 R CA 0.922 56.748 56.100 -0.457 0.000 1.004 244 R CB -0.185 29.980 30.300 -0.225 0.000 0.873 244 R HN 0.297 nan 8.270 nan 0.000 0.467 245 E N 0.860 120.908 120.200 -0.253 0.000 2.474 245 E HA 0.204 4.554 4.350 -0.000 0.000 0.195 245 E C 0.255 176.751 176.600 -0.174 0.000 1.039 245 E CA 0.295 56.618 56.400 -0.129 0.000 0.881 245 E CB 0.875 30.560 29.700 -0.026 0.000 0.970 245 E HN 0.433 nan 8.360 nan 0.000 0.486 246 A N 2.821 125.468 122.820 -0.287 0.000 2.406 246 A HA 0.086 4.406 4.320 -0.000 0.000 0.243 246 A C 0.554 178.025 177.584 -0.189 0.000 1.082 246 A CA -0.472 51.420 52.037 -0.242 0.000 0.786 246 A CB -0.011 18.811 19.000 -0.297 0.000 1.029 246 A HN 0.158 nan 8.150 nan 0.000 0.495 247 N N 2.148 120.768 118.700 -0.135 0.000 2.971 247 N HA 0.113 4.853 4.740 -0.000 0.000 0.294 247 N C -0.112 175.313 175.510 -0.142 0.000 1.210 247 N CA 0.133 53.122 53.050 -0.102 0.000 1.157 247 N CB -0.063 38.392 38.487 -0.054 0.000 1.450 247 N HN 0.576 nan 8.380 nan 0.000 0.527 248 L N -0.077 120.999 121.223 -0.245 0.000 2.408 248 L HA 0.270 4.610 4.340 -0.000 0.000 0.215 248 L C 1.558 178.305 176.870 -0.204 0.000 1.081 248 L CA 0.492 55.078 54.840 -0.423 0.000 0.840 248 L CB -0.114 41.293 42.059 -1.087 0.000 1.002 248 L HN 0.609 nan 8.230 nan 0.000 0.468 249 G N -1.295 107.472 108.800 -0.054 0.000 2.143 249 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.249 249 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.249 249 G C -0.161 174.923 174.900 0.307 0.000 0.981 249 G CA -0.294 44.878 45.100 0.120 0.000 0.665 249 G HN 0.084 nan 8.290 nan 0.000 0.528 250 W N 1.376 122.723 121.300 0.079 0.000 2.141 250 W HA 0.687 5.347 4.660 -0.000 0.000 0.354 250 W C 1.226 177.804 176.519 0.097 0.000 1.297 250 W CA -0.737 56.654 57.345 0.077 0.000 1.380 250 W CB 0.317 29.819 29.460 0.071 0.000 1.168 250 W HN 0.543 nan 8.180 nan 0.000 0.639 251 S N 0.003 115.909 115.700 0.343 0.000 2.645 251 S HA 0.047 4.517 4.470 -0.000 0.000 0.266 251 S C 0.616 175.408 174.600 0.319 0.000 1.258 251 S CA -0.476 57.897 58.200 0.288 0.000 0.990 251 S CB 0.768 64.111 63.200 0.239 0.000 0.967 251 S HN 0.585 nan 8.310 nan 0.000 0.556 252 W N 1.278 122.665 121.300 0.144 0.000 2.338 252 W HA -0.111 4.549 4.660 -0.000 0.000 0.304 252 W C 2.163 178.748 176.519 0.109 0.000 1.212 252 W CA 1.883 59.301 57.345 0.123 0.000 1.264 252 W CB -0.152 29.366 29.460 0.095 0.000 1.142 252 W HN 0.810 nan 8.180 nan 0.000 0.512 253 E N 0.189 120.671 120.200 0.469 0.000 2.110 253 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 253 E C 1.850 178.475 176.600 0.041 0.000 0.988 253 E CA 1.765 58.334 56.400 0.282 0.000 0.804 253 E CB -0.500 29.354 29.700 0.258 0.000 0.745 253 E HN 0.580 nan 8.360 nan 0.000 0.458 254 E N 0.586 120.820 120.200 0.057 0.000 2.072 254 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 254 E C 2.339 178.973 176.600 0.057 0.000 0.985 254 E CA 0.568 56.949 56.400 -0.032 0.000 0.801 254 E CB -0.057 29.600 29.700 -0.072 0.000 0.750 254 E HN 0.183 nan 8.360 nan 0.000 0.452 255 L N 0.540 121.854 121.223 0.151 0.000 2.056 255 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 255 L C 2.549 179.362 176.870 -0.095 0.000 1.078 255 L CA 1.176 56.117 54.840 0.169 0.000 0.749 255 L CB -0.467 41.660 42.059 0.114 0.000 0.901 255 L HN 0.142 nan 8.230 nan 0.000 0.433 256 T N -0.233 114.107 114.554 -0.357 0.000 2.821 256 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 256 T C 1.818 176.345 174.700 -0.289 0.000 1.046 256 T CA 1.539 63.356 62.100 -0.472 0.000 1.139 256 T CB -0.197 68.129 68.868 -0.904 0.000 0.871 256 T HN 0.438 nan 8.240 nan 0.000 0.454 257 R N 1.262 121.619 120.500 -0.237 0.000 2.236 257 R HA 0.371 4.711 4.340 -0.000 0.000 0.208 257 R C 2.299 178.427 176.300 -0.285 0.000 1.036 257 R CA 0.955 56.926 56.100 -0.215 0.000 1.001 257 R CB -0.273 29.930 30.300 -0.162 0.000 0.896 257 R HN 0.290 nan 8.270 nan 0.000 0.464 258 A N 0.819 123.393 122.820 -0.409 0.000 1.984 258 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 258 A C 0.150 177.290 177.584 -0.740 0.000 1.173 258 A CA 0.243 51.880 52.037 -0.667 0.000 0.673 258 A CB 0.105 18.491 19.000 -1.024 0.000 0.830 258 A HN 0.291 nan 8.150 nan 0.000 0.453 259 F N 1.134 121.027 119.950 -0.095 0.000 2.531 259 F HA 0.336 4.863 4.527 -0.000 0.000 0.333 259 F C -2.550 173.108 175.800 -0.237 0.000 1.292 259 F CA -3.658 54.238 58.000 -0.172 0.000 1.184 259 F CB 0.447 39.305 39.000 -0.237 0.000 1.426 259 F HN -0.017 nan 8.300 nan 0.000 0.559 260 P HA 0.091 nan 4.420 nan 0.000 0.267 260 P C -0.140 177.137 177.300 -0.038 0.000 1.200 260 P CA 0.260 63.294 63.100 -0.110 0.000 0.772 260 P CB 1.731 33.341 31.700 -0.151 0.000 0.855 261 S N 1.663 117.340 115.700 -0.038 0.000 2.543 261 S HA 0.545 5.014 4.470 -0.000 0.000 0.271 261 S C -2.669 171.933 174.600 0.003 0.000 1.148 261 S CA -1.117 57.077 58.200 -0.010 0.000 0.914 261 S CB 0.740 63.816 63.200 -0.207 0.000 1.096 261 S HN 0.324 nan 8.310 nan 0.000 0.471 262 P HA 0.511 nan 4.420 nan 0.000 0.274 262 P C -0.950 176.502 177.300 0.254 0.000 1.256 262 P CA -0.269 62.919 63.100 0.147 0.000 0.795 262 P CB 0.212 31.951 31.700 0.066 0.000 1.038 263 F N -2.433 117.569 119.950 0.088 0.000 2.650 263 F HA 0.610 5.137 4.527 -0.000 0.000 0.320 263 F C -0.856 175.058 175.800 0.189 0.000 1.091 263 F CA -1.415 56.659 58.000 0.123 0.000 0.962 263 F CB 0.564 39.674 39.000 0.183 0.000 1.363 263 F HN 0.111 nan 8.300 nan 0.000 0.482 264 S N 1.946 117.591 115.700 -0.092 0.000 2.489 264 S HA 0.418 4.888 4.470 -0.000 0.000 0.277 264 S C -0.550 173.841 174.600 -0.348 0.000 1.230 264 S CA -0.447 57.660 58.200 -0.156 0.000 1.053 264 S CB 0.935 64.144 63.200 0.015 0.000 0.955 264 S HN 0.674 nan 8.310 nan 0.000 0.488 265 L N 5.783 126.766 121.223 -0.399 0.000 2.401 265 L HA 0.302 4.642 4.340 -0.000 0.000 0.283 265 L C 0.502 177.302 176.870 -0.117 0.000 1.151 265 L CA 0.507 55.106 54.840 -0.401 0.000 0.942 265 L CB -0.909 40.785 42.059 -0.608 0.000 1.283 265 L HN 0.822 nan 8.230 nan 0.000 0.442 266 T N -0.325 114.218 114.554 -0.018 0.000 2.888 266 T HA 0.429 4.778 4.350 -0.000 0.000 0.288 266 T C 1.095 175.780 174.700 -0.025 0.000 1.063 266 T CA -0.448 61.647 62.100 -0.009 0.000 1.010 266 T CB 1.071 69.949 68.868 0.017 0.000 1.214 266 T HN -0.045 nan 8.240 nan 0.000 0.533 267 V N 0.806 120.663 119.914 -0.094 0.000 2.358 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 267 V C 2.537 178.540 176.094 -0.151 0.000 1.047 267 V CA 2.457 64.683 62.300 -0.124 0.000 1.035 267 V CB -1.057 30.649 31.823 -0.195 0.000 0.658 267 V HN 1.097 nan 8.190 nan 0.000 0.452 268 D N 0.565 120.819 120.400 -0.243 0.000 2.123 268 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 268 D C 2.082 178.454 176.300 0.120 0.000 0.992 268 D CA 1.602 55.547 54.000 -0.092 0.000 0.833 268 D CB -0.149 40.666 40.800 0.026 0.000 0.954 268 D HN 0.363 nan 8.370 nan 0.000 0.455 269 A N 0.546 123.426 122.820 0.099 0.000 1.877 269 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 269 A C 2.441 179.927 177.584 -0.163 0.000 1.186 269 A CA 2.352 54.362 52.037 -0.045 0.000 0.620 269 A CB -1.254 17.845 19.000 0.165 0.000 0.822 269 A HN 0.368 nan 8.150 nan 0.000 0.443 270 A N -0.602 122.206 122.820 -0.021 0.000 1.877 270 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 270 A C 2.251 179.933 177.584 0.163 0.000 1.186 270 A CA 1.886 53.952 52.037 0.048 0.000 0.620 270 A CB -1.042 17.985 19.000 0.045 0.000 0.822 270 A HN 0.420 nan 8.150 nan 0.000 0.443 271 V N 0.110 120.100 119.914 0.125 0.000 2.295 271 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 271 V C 2.731 178.964 176.094 0.232 0.000 1.049 271 V CA 2.073 64.486 62.300 0.188 0.000 1.024 271 V CB -0.781 31.220 31.823 0.296 0.000 0.648 271 V HN 0.545 nan 8.190 nan 0.000 0.447 272 Q N -0.249 119.672 119.800 0.201 0.000 2.167 272 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 272 Q C 2.257 178.352 176.000 0.159 0.000 0.970 272 Q CA 1.513 57.441 55.803 0.209 0.000 0.855 272 Q CB -0.394 28.530 28.738 0.310 0.000 0.911 272 Q HN 0.721 nan 8.270 nan 0.000 0.438 273 Q N -0.648 119.163 119.800 0.018 0.000 2.124 273 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 273 Q C 1.994 178.141 176.000 0.246 0.000 0.977 273 Q CA 0.987 56.821 55.803 0.052 0.000 0.850 273 Q CB -0.095 28.524 28.738 -0.198 0.000 0.901 273 Q HN 0.603 nan 8.270 nan 0.000 0.429 274 H N 0.073 119.253 119.070 0.184 0.000 2.363 274 H HA -0.024 4.532 4.556 -0.000 0.000 0.301 274 H C 2.096 177.510 175.328 0.143 0.000 1.074 274 H CA 0.945 57.104 56.048 0.185 0.000 1.354 274 H CB 0.147 29.995 29.762 0.144 0.000 1.397 274 H HN 0.227 nan 8.280 nan 0.000 0.516 275 L N 0.423 121.800 121.223 0.257 0.000 2.362 275 L HA -0.113 4.227 4.340 -0.000 0.000 0.219 275 L C 2.414 179.370 176.870 0.144 0.000 1.134 275 L CA 0.428 55.372 54.840 0.173 0.000 0.807 275 L CB -0.249 41.902 42.059 0.153 0.000 0.927 275 L HN 0.263 nan 8.230 nan 0.000 0.447 276 M N -1.214 118.492 119.600 0.176 0.000 2.394 276 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 276 M C 0.462 176.850 176.300 0.146 0.000 1.073 276 M CA 0.859 56.255 55.300 0.160 0.000 1.111 276 M CB 0.012 32.744 32.600 0.221 0.000 1.401 276 M HN 0.146 nan 8.290 nan 0.000 0.448 277 M N 1.123 120.796 119.600 0.121 0.000 2.180 277 M HA 0.156 4.636 4.480 -0.000 0.000 0.358 277 M C 0.120 176.448 176.300 0.048 0.000 1.233 277 M CA -0.052 55.284 55.300 0.059 0.000 1.114 277 M CB 0.512 33.049 32.600 -0.105 0.000 1.594 277 M HN 0.088 nan 8.290 nan 0.000 0.467 278 E N 0.944 121.172 120.200 0.048 0.000 2.413 278 E HA 0.262 4.612 4.350 -0.000 0.000 0.263 278 E C 0.955 177.574 176.600 0.031 0.000 1.015 278 E CA 0.959 57.381 56.400 0.037 0.000 0.916 278 E CB 0.445 30.165 29.700 0.034 0.000 0.947 278 E HN 0.914 nan 8.360 nan 0.000 0.440 279 G N 2.508 111.327 108.800 0.031 0.000 2.159 279 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.256 279 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.256 279 G C -0.127 174.791 174.900 0.030 0.000 0.977 279 G CA 0.157 45.273 45.100 0.026 0.000 0.652 279 G HN 0.468 nan 8.290 nan 0.000 0.531 280 V N 3.171 123.110 119.914 0.043 0.000 2.293 280 V HA 0.470 4.590 4.120 -0.000 0.000 0.275 280 V C -1.354 174.780 176.094 0.066 0.000 1.021 280 V CA -1.341 60.997 62.300 0.063 0.000 0.815 280 V CB 1.511 33.388 31.823 0.090 0.000 1.025 280 V HN 0.295 nan 8.190 nan 0.000 0.448 281 P HA 0.195 nan 4.420 nan 0.000 0.280 281 P C 0.975 178.312 177.300 0.062 0.000 1.244 281 P CA -0.198 62.930 63.100 0.047 0.000 0.784 281 P CB 1.614 33.329 31.700 0.026 0.000 0.913 282 S N 2.521 118.257 115.700 0.059 0.000 2.400 282 S HA -0.186 4.284 4.470 -0.000 0.000 0.232 282 S C 1.860 176.502 174.600 0.069 0.000 1.025 282 S CA 1.022 59.262 58.200 0.066 0.000 0.993 282 S CB -1.198 62.031 63.200 0.049 0.000 0.808 282 S HN 0.524 nan 8.310 nan 0.000 0.478 283 A N 1.620 124.475 122.820 0.058 0.000 2.121 283 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 283 A C 2.134 179.789 177.584 0.118 0.000 1.154 283 A CA 1.109 53.189 52.037 0.072 0.000 0.679 283 A CB -0.381 18.644 19.000 0.041 0.000 0.795 283 A HN 0.613 nan 8.150 nan 0.000 0.458 284 K N -0.693 119.764 120.400 0.095 0.000 2.393 284 K HA 0.274 4.594 4.320 -0.000 0.000 0.193 284 K C -0.300 176.425 176.600 0.208 0.000 1.026 284 K CA -0.012 56.351 56.287 0.125 0.000 1.064 284 K CB 0.240 32.760 32.500 0.032 0.000 0.833 284 K HN 0.453 nan 8.250 nan 0.000 0.521 285 I N 1.980 122.637 120.570 0.146 0.000 2.395 285 I HA 0.075 4.245 4.170 -0.000 0.000 0.289 285 I C -0.287 175.884 176.117 0.090 0.000 1.023 285 I CA -0.561 60.799 61.300 0.100 0.000 1.350 285 I CB 1.327 39.366 38.000 0.064 0.000 1.409 285 I HN -0.283 nan 8.210 nan 0.000 0.507 286 V N 7.396 127.343 119.914 0.054 0.000 2.495 286 V HA 0.312 4.432 4.120 -0.000 0.000 0.298 286 V C 0.068 176.186 176.094 0.041 0.000 1.031 286 V CA -0.688 61.617 62.300 0.008 0.000 0.871 286 V CB 1.872 33.639 31.823 -0.094 0.000 0.988 286 V HN 0.699 nan 8.190 nan 0.000 0.432 287 M N 4.282 123.931 119.600 0.081 0.000 2.146 287 M HA 0.513 4.993 4.480 -0.000 0.000 0.352 287 M C 0.520 176.908 176.300 0.147 0.000 1.343 287 M CA -0.096 55.269 55.300 0.109 0.000 1.115 287 M CB 0.508 33.197 32.600 0.149 0.000 1.657 287 M HN 0.796 nan 8.290 nan 0.000 0.471 288 G N 4.248 113.153 108.800 0.176 0.000 2.395 288 G HA2 0.541 4.501 3.960 -0.000 0.000 0.283 288 G HA3 0.541 4.501 3.960 -0.000 0.000 0.283 288 G C -0.852 174.310 174.900 0.437 0.000 1.178 288 G CA -0.552 44.751 45.100 0.338 0.000 0.837 288 G HN 0.822 nan 8.290 nan 0.000 0.518 289 V N -0.323 119.858 119.914 0.444 0.000 2.962 289 V HA 0.876 4.996 4.120 -0.000 0.000 0.313 289 V C -2.697 173.557 176.094 0.267 0.000 1.099 289 V CA -2.704 59.827 62.300 0.385 0.000 0.971 289 V CB 2.614 34.563 31.823 0.211 0.000 1.028 289 V HN 0.648 nan 8.190 nan 0.000 0.430 290 P HA 0.461 nan 4.420 nan 0.000 0.292 290 P C -0.840 176.662 177.300 0.337 0.000 1.283 290 P CA -0.306 62.731 63.100 -0.105 0.000 0.835 290 P CB 1.516 32.846 31.700 -0.617 0.000 1.017 291 F N 2.169 122.179 119.950 0.100 0.000 2.668 291 F HA 0.233 4.760 4.527 -0.000 0.000 0.297 291 F C 0.392 176.286 175.800 0.157 0.000 1.124 291 F CA -0.502 57.557 58.000 0.099 0.000 1.353 291 F CB -0.673 38.350 39.000 0.038 0.000 0.992 291 F HN 0.249 nan 8.300 nan 0.000 0.524 292 Y N -2.593 117.841 120.300 0.222 0.000 2.644 292 Y HA 0.868 5.418 4.550 -0.000 0.000 0.338 292 Y C -0.175 175.818 175.900 0.155 0.000 1.119 292 Y CA -2.433 55.749 58.100 0.138 0.000 1.060 292 Y CB 0.825 39.345 38.460 0.099 0.000 1.294 292 Y HN -0.124 nan 8.280 nan 0.000 0.472 293 G N 0.838 109.721 108.800 0.139 0.000 2.511 293 G HA2 0.709 4.669 3.960 -0.000 0.000 0.318 293 G HA3 0.709 4.669 3.960 -0.000 0.000 0.318 293 G C -1.515 173.477 174.900 0.153 0.000 1.210 293 G CA -1.536 43.618 45.100 0.090 0.000 0.969 293 G HN 0.649 nan 8.290 nan 0.000 0.484 294 R N -0.317 120.252 120.500 0.115 0.000 2.514 294 R HA 0.664 5.004 4.340 -0.000 0.000 0.301 294 R C -0.520 175.786 176.300 0.010 0.000 0.962 294 R CA -0.567 55.568 56.100 0.058 0.000 0.882 294 R CB 2.221 32.553 30.300 0.052 0.000 1.143 294 R HN 0.615 nan 8.270 nan 0.000 0.452 295 A N 3.068 125.840 122.820 -0.079 0.000 2.337 295 A HA 0.780 5.100 4.320 -0.000 0.000 0.329 295 A C -1.197 176.405 177.584 0.030 0.000 1.146 295 A CA -0.500 51.591 52.037 0.091 0.000 0.800 295 A CB 0.703 19.784 19.000 0.136 0.000 1.220 295 A HN 0.550 nan 8.150 nan 0.000 0.472 296 F N 0.677 120.779 119.950 0.254 0.000 2.577 296 F HA 0.615 5.142 4.527 -0.000 0.000 0.318 296 F C 0.497 176.287 175.800 -0.016 0.000 1.065 296 F CA -0.502 57.557 58.000 0.098 0.000 0.929 296 F CB 2.473 41.461 39.000 -0.019 0.000 1.237 296 F HN 0.702 nan 8.300 nan 0.000 0.468 297 K N -0.584 119.734 120.400 -0.137 0.000 2.352 297 K HA 0.815 5.135 4.320 -0.000 0.000 0.240 297 K C 0.342 176.884 176.600 -0.097 0.000 1.017 297 K CA -0.771 55.312 56.287 -0.340 0.000 0.851 297 K CB 1.883 33.709 32.500 -1.124 0.000 1.261 297 K HN 0.884 nan 8.250 nan 0.000 0.451 298 G N -0.121 108.625 108.800 -0.090 0.000 2.176 298 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.252 298 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.252 298 G C 0.093 175.022 174.900 0.048 0.000 1.024 298 G CA 0.248 45.334 45.100 -0.025 0.000 0.755 298 G HN 0.899 nan 8.290 nan 0.000 0.507 299 V N -1.777 118.195 119.914 0.097 0.000 3.295 299 V HA 0.912 5.032 4.120 -0.000 0.000 0.308 299 V C 0.765 176.922 176.094 0.104 0.000 1.068 299 V CA 0.052 62.413 62.300 0.103 0.000 1.062 299 V CB 1.572 33.480 31.823 0.142 0.000 1.162 299 V HN 1.343 nan 8.190 nan 0.000 0.456 300 S N 0.660 116.394 115.700 0.057 0.000 2.651 300 S HA 0.798 5.268 4.470 -0.000 0.000 0.291 300 S C 0.175 174.816 174.600 0.067 0.000 1.141 300 S CA -0.120 58.109 58.200 0.049 0.000 1.027 300 S CB 1.150 64.344 63.200 -0.011 0.000 1.043 300 S HN 1.618 nan 8.310 nan 0.000 0.530 301 G N -0.931 107.920 108.800 0.086 0.000 2.425 301 G HA2 0.608 4.568 3.960 -0.000 0.000 0.302 301 G HA3 0.608 4.568 3.960 -0.000 0.000 0.302 301 G C 0.618 175.499 174.900 -0.033 0.000 1.159 301 G CA -0.252 44.892 45.100 0.073 0.000 0.865 301 G HN 1.600 nan 8.290 nan 0.000 0.515 302 G N 0.745 109.488 108.800 -0.096 0.000 3.154 302 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.114 302 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.114 302 G C 0.498 175.321 174.900 -0.127 0.000 2.421 302 G CA 0.298 45.347 45.100 -0.086 0.000 1.271 302 G HN 1.011 nan 8.290 nan 0.000 0.371 303 N N 1.690 120.278 118.700 -0.187 0.000 2.635 303 N HA 0.467 5.207 4.740 -0.000 0.000 0.307 303 N C 1.104 176.452 175.510 -0.270 0.000 1.433 303 N CA 0.942 53.878 53.050 -0.191 0.000 0.973 303 N CB 0.019 38.401 38.487 -0.175 0.000 1.304 303 N HN 1.685 nan 8.380 nan 0.000 0.507 304 G N -0.287 108.285 108.800 -0.380 0.000 2.203 304 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.263 304 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.263 304 G C 0.972 175.566 174.900 -0.510 0.000 1.012 304 G CA 0.407 45.179 45.100 -0.546 0.000 0.749 304 G HN 1.350 nan 8.290 nan 0.000 0.512 305 G N -1.945 106.543 108.800 -0.520 0.000 2.217 305 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 305 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 305 G C 0.366 174.736 174.900 -0.883 0.000 0.990 305 G CA 0.837 45.780 45.100 -0.262 0.000 0.627 305 G HN 1.193 nan 8.290 nan 0.000 0.522 306 Q N -0.512 118.704 119.800 -0.974 0.000 2.332 306 Q HA 0.454 4.794 4.340 -0.000 0.000 0.263 306 Q C 0.457 175.835 176.000 -1.037 0.000 0.979 306 Q CA -0.312 54.615 55.803 -1.461 0.000 0.885 306 Q CB 0.274 28.041 28.738 -1.617 0.000 1.218 306 Q HN 0.653 nan 8.270 nan 0.000 0.405 307 Y N -1.375 118.536 120.300 -0.648 0.000 3.589 307 Y HA -0.261 4.289 4.550 -0.000 0.000 0.218 307 Y C 0.051 175.758 175.900 -0.323 0.000 1.234 307 Y CA 0.707 58.562 58.100 -0.409 0.000 1.576 307 Y CB -2.369 35.920 38.460 -0.285 0.000 1.487 307 Y HN 0.482 nan 8.280 nan 0.000 0.616 308 S N 0.103 115.635 115.700 -0.279 0.000 2.549 308 S HA 0.766 5.236 4.470 -0.000 0.000 0.297 308 S C 0.468 175.012 174.600 -0.093 0.000 1.115 308 S CA -0.073 58.022 58.200 -0.176 0.000 1.059 308 S CB 1.182 64.267 63.200 -0.193 0.000 1.046 308 S HN 0.506 nan 8.310 nan 0.000 0.506 309 S N 3.352 119.021 115.700 -0.051 0.000 2.589 309 S HA 0.461 4.931 4.470 -0.000 0.000 0.265 309 S C -0.096 174.520 174.600 0.027 0.000 1.342 309 S CA -0.370 57.810 58.200 -0.032 0.000 1.005 309 S CB 0.148 63.303 63.200 -0.075 0.000 0.909 309 S HN 1.003 nan 8.310 nan 0.000 0.555 310 H N -1.949 117.097 119.070 -0.041 0.000 2.933 310 H HA 0.560 5.116 4.556 -0.000 0.000 0.310 310 H C -1.118 174.208 175.328 -0.003 0.000 1.351 310 H CA -0.512 55.530 56.048 -0.010 0.000 1.137 310 H CB 0.853 30.654 29.762 0.065 0.000 1.853 310 H HN 0.737 nan 8.280 nan 0.000 0.539 311 S N -0.213 115.488 115.700 0.001 0.000 2.751 311 S HA 0.220 4.690 4.470 -0.000 0.000 0.247 311 S C -0.551 174.072 174.600 0.037 0.000 1.103 311 S CA -0.515 57.647 58.200 -0.062 0.000 1.090 311 S CB -0.556 62.598 63.200 -0.078 0.000 0.928 311 S HN 0.567 nan 8.310 nan 0.000 0.502 312 T N 4.670 119.408 114.554 0.306 0.000 2.817 312 T HA 0.429 4.779 4.350 -0.000 0.000 0.293 312 T C -2.609 172.253 174.700 0.271 0.000 0.964 312 T CA -0.959 61.303 62.100 0.270 0.000 1.085 312 T CB 0.733 69.777 68.868 0.292 0.000 0.921 312 T HN 0.206 nan 8.240 nan 0.000 0.502 313 P HA 0.263 nan 4.420 nan 0.000 0.268 313 P C 0.694 178.157 177.300 0.271 0.000 1.205 313 P CA -0.186 63.061 63.100 0.245 0.000 0.771 313 P CB 0.493 32.340 31.700 0.244 0.000 0.858 314 G N 1.485 110.420 108.800 0.226 0.000 3.393 314 G HA2 0.085 4.045 3.960 -0.000 0.000 0.255 314 G HA3 0.085 4.045 3.960 -0.000 0.000 0.255 314 G C -0.074 174.971 174.900 0.242 0.000 1.097 314 G CA -0.104 45.153 45.100 0.261 0.000 0.780 314 G HN 0.413 nan 8.290 nan 0.000 0.540 315 E N 0.146 120.465 120.200 0.199 0.000 2.283 315 E HA 0.498 4.848 4.350 -0.000 0.000 0.267 315 E C -1.280 175.426 176.600 0.178 0.000 1.045 315 E CA -0.485 56.013 56.400 0.164 0.000 0.884 315 E CB 1.432 31.199 29.700 0.111 0.000 1.106 315 E HN -0.035 nan 8.360 nan 0.000 0.408 316 D N 1.539 122.031 120.400 0.154 0.000 2.453 316 D HA 0.311 4.951 4.640 -0.000 0.000 0.238 316 D C -1.945 174.435 176.300 0.134 0.000 1.088 316 D CA -1.195 52.898 54.000 0.155 0.000 0.854 316 D CB 0.783 41.681 40.800 0.163 0.000 1.076 316 D HN 0.268 nan 8.370 nan 0.000 0.533 317 P HA 0.286 nan 4.420 nan 0.000 0.341 317 P C -1.306 176.106 177.300 0.186 0.000 1.297 317 P CA -0.549 62.648 63.100 0.162 0.000 0.761 317 P CB 0.399 32.189 31.700 0.150 0.000 1.574 318 Y N 0.182 120.534 120.300 0.087 0.000 2.360 318 Y HA 0.428 4.978 4.550 0.000 0.000 0.337 318 Y C -2.304 173.637 175.900 0.068 0.000 1.039 318 Y CA -2.370 55.782 58.100 0.087 0.000 1.109 318 Y CB 1.109 39.624 38.460 0.091 0.000 1.201 318 Y HN 0.117 nan 8.280 nan 0.000 0.458 319 P HA 0.119 nan 4.420 nan 0.000 0.274 319 P C 0.501 177.577 177.300 -0.373 0.000 1.470 319 P CA 0.176 63.063 63.100 -0.354 0.000 1.001 319 P CB 1.041 32.566 31.700 -0.291 0.000 1.332 320 S N 2.597 118.209 115.700 -0.145 0.000 2.607 320 S HA -0.292 4.178 4.470 -0.000 0.000 0.333 320 S C 0.904 175.282 174.600 -0.370 0.000 1.308 320 S CA 2.047 60.111 58.200 -0.226 0.000 1.164 320 S CB -1.695 61.463 63.200 -0.070 0.000 0.646 320 S HN 0.673 nan 8.310 nan 0.000 0.505 321 T N 2.521 116.934 114.554 -0.236 0.000 2.656 321 T HA 0.148 4.498 4.350 -0.000 0.000 0.258 321 T C -0.010 174.663 174.700 -0.044 0.000 1.020 321 T CA 0.410 62.447 62.100 -0.104 0.000 1.191 321 T CB -0.774 68.061 68.868 -0.056 0.000 1.004 321 T HN 0.731 nan 8.240 nan 0.000 0.498 322 D N 1.212 121.577 120.400 -0.058 0.000 4.557 322 D HA -0.263 4.377 4.640 -0.000 0.000 0.058 322 D C -0.951 175.264 176.300 -0.141 0.000 0.881 322 D CA 0.457 54.455 54.000 -0.004 0.000 0.494 322 D CB -0.216 40.705 40.800 0.201 0.000 1.051 322 D HN 0.711 nan 8.370 nan 0.000 0.520 323 Y N 1.600 121.887 120.300 -0.022 0.000 2.714 323 Y HA 0.103 4.653 4.550 -0.000 0.000 0.333 323 Y C 1.279 177.030 175.900 -0.248 0.000 1.220 323 Y CA -0.864 57.069 58.100 -0.279 0.000 1.513 323 Y CB -0.146 38.191 38.460 -0.205 0.000 1.435 323 Y HN 0.515 nan 8.280 nan 0.000 0.489 324 W N 0.976 122.311 121.300 0.058 0.000 2.848 324 W HA 0.013 4.673 4.660 -0.000 0.000 0.241 324 W C -0.347 176.169 176.519 -0.006 0.000 1.289 324 W CA -0.161 57.199 57.345 0.024 0.000 1.396 324 W CB 0.014 29.493 29.460 0.031 0.000 1.138 324 W HN 0.263 nan 8.180 nan 0.000 0.677 325 L N 3.230 124.369 121.223 -0.140 0.000 2.385 325 L HA 0.167 4.507 4.340 -0.000 0.000 0.285 325 L C 0.293 177.148 176.870 -0.025 0.000 1.125 325 L CA -0.429 54.379 54.840 -0.054 0.000 0.890 325 L CB 0.324 42.203 42.059 -0.299 0.000 1.251 325 L HN -0.293 nan 8.230 nan 0.000 0.445 326 V N 6.052 125.986 119.914 0.034 0.000 2.539 326 V HA 0.094 4.214 4.120 -0.000 0.000 0.294 326 V C 1.530 177.547 176.094 -0.127 0.000 0.994 326 V CA 1.365 63.643 62.300 -0.036 0.000 1.169 326 V CB -0.097 31.598 31.823 -0.214 0.000 0.898 326 V HN 1.092 nan 8.190 nan 0.000 0.471 327 G N 3.442 112.079 108.800 -0.271 0.000 2.176 327 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.253 327 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.253 327 G C 0.455 175.073 174.900 -0.470 0.000 0.979 327 G CA -0.020 44.649 45.100 -0.719 0.000 0.641 327 G HN 0.991 nan 8.290 nan 0.000 0.530 328 C N 1.617 120.743 119.300 -0.291 0.000 2.145 328 C HA 0.651 5.111 4.460 -0.000 0.000 0.374 328 C C 1.788 176.653 174.990 -0.208 0.000 1.035 328 C CA 0.050 58.914 59.018 -0.257 0.000 1.431 328 C CB -0.953 26.635 27.740 -0.254 0.000 1.789 328 C HN 0.535 nan 8.230 nan 0.000 0.483 329 E N 1.005 121.099 120.200 -0.177 0.000 2.150 329 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 329 E C 2.084 178.586 176.600 -0.163 0.000 0.985 329 E CA 1.233 57.547 56.400 -0.143 0.000 0.814 329 E CB 0.028 29.670 29.700 -0.097 0.000 0.752 329 E HN 0.898 nan 8.360 nan 0.000 0.466 330 E N 0.195 120.300 120.200 -0.159 0.000 2.153 330 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 330 E C 1.441 177.925 176.600 -0.194 0.000 0.988 330 E CA 1.192 57.503 56.400 -0.149 0.000 0.811 330 E CB -0.045 29.579 29.700 -0.126 0.000 0.746 330 E HN 0.299 nan 8.360 nan 0.000 0.466 331 C N 0.219 119.375 119.300 -0.240 0.000 2.432 331 C HA -0.027 4.433 4.460 -0.000 0.000 0.282 331 C C 2.533 177.242 174.990 -0.468 0.000 1.388 331 C CA 0.253 59.087 59.018 -0.306 0.000 1.777 331 C CB -0.653 26.895 27.740 -0.320 0.000 1.882 331 C HN 0.349 nan 8.230 nan 0.000 0.520 332 V N 2.172 121.805 119.914 -0.468 0.000 2.407 332 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 332 V C 2.575 178.383 176.094 -0.477 0.000 1.041 332 V CA 2.130 64.026 62.300 -0.673 0.000 1.040 332 V CB -0.624 30.964 31.823 -0.392 0.000 0.671 332 V HN 0.582 nan 8.190 nan 0.000 0.455 333 R N 0.623 120.958 120.500 -0.276 0.000 2.189 333 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 333 R C 1.236 177.443 176.300 -0.155 0.000 1.074 333 R CA 1.522 57.515 56.100 -0.178 0.000 0.991 333 R CB -0.565 29.669 30.300 -0.111 0.000 0.883 333 R HN 0.361 nan 8.270 nan 0.000 0.457 334 D N 0.970 121.261 120.400 -0.183 0.000 2.349 334 D HA 0.063 4.703 4.640 -0.000 0.000 0.214 334 D C -0.264 175.967 176.300 -0.115 0.000 1.063 334 D CA 0.173 54.103 54.000 -0.116 0.000 0.847 334 D CB 0.246 40.993 40.800 -0.089 0.000 0.933 334 D HN 0.213 nan 8.370 nan 0.000 0.513 335 K N 1.065 121.324 120.400 -0.235 0.000 3.125 335 K HA -0.166 4.154 4.320 -0.000 0.000 0.268 335 K C -0.622 176.045 176.600 0.111 0.000 1.078 335 K CA 0.546 56.772 56.287 -0.101 0.000 0.775 335 K CB -1.103 31.452 32.500 0.092 0.000 1.253 335 K HN 0.101 nan 8.250 nan 0.000 0.486 336 D N -0.739 119.602 120.400 -0.098 0.000 2.804 336 D HA 0.115 4.755 4.640 -0.000 0.000 0.209 336 D C -2.489 173.567 176.300 -0.406 0.000 1.314 336 D CA -1.357 52.507 54.000 -0.227 0.000 0.894 336 D CB 1.685 42.410 40.800 -0.124 0.000 1.615 336 D HN -0.138 nan 8.370 nan 0.000 0.571 337 P HA 0.234 nan 4.420 nan 0.000 0.268 337 P C 0.690 177.513 177.300 -0.796 0.000 1.329 337 P CA -0.073 62.523 63.100 -0.840 0.000 0.899 337 P CB 0.577 31.458 31.700 -1.365 0.000 1.378 338 R N -0.450 119.730 120.500 -0.533 0.000 2.276 338 R HA 0.308 4.648 4.340 -0.000 0.000 0.196 338 R C 0.850 177.056 176.300 -0.158 0.000 0.961 338 R CA 0.442 56.384 56.100 -0.263 0.000 1.024 338 R CB 0.190 30.408 30.300 -0.137 0.000 0.940 338 R HN 0.236 nan 8.270 nan 0.000 0.480 339 I N 0.292 120.771 120.570 -0.151 0.000 2.533 339 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 339 I C -1.047 175.026 176.117 -0.074 0.000 1.056 339 I CA -0.964 60.310 61.300 -0.043 0.000 1.057 339 I CB 2.203 40.179 38.000 -0.041 0.000 1.240 339 I HN -0.087 nan 8.210 nan 0.000 0.423 340 A N 3.907 126.718 122.820 -0.015 0.000 2.455 340 A HA 0.679 4.999 4.320 -0.000 0.000 0.300 340 A C -0.259 177.326 177.584 0.002 0.000 1.040 340 A CA -0.577 51.415 52.037 -0.075 0.000 0.697 340 A CB 1.685 20.579 19.000 -0.178 0.000 1.265 340 A HN 0.733 nan 8.150 nan 0.000 0.407 341 S N 1.396 117.082 115.700 -0.025 0.000 2.579 341 S HA 0.172 4.642 4.470 -0.000 0.000 0.275 341 S C 0.867 175.444 174.600 -0.038 0.000 1.345 341 S CA 0.308 58.516 58.200 0.013 0.000 1.031 341 S CB 0.105 63.276 63.200 -0.047 0.000 0.892 341 S HN 1.183 nan 8.310 nan 0.000 0.529 342 Y N 2.722 122.976 120.300 -0.076 0.000 2.193 342 Y HA -0.203 4.347 4.550 -0.000 0.000 0.285 342 Y C 2.651 178.457 175.900 -0.157 0.000 1.166 342 Y CA 2.168 60.184 58.100 -0.140 0.000 1.181 342 Y CB -0.320 38.034 38.460 -0.178 0.000 0.976 342 Y HN 0.844 nan 8.280 nan 0.000 0.520 343 R N -0.121 120.285 120.500 -0.157 0.000 2.083 343 R HA -0.279 4.061 4.340 -0.000 0.000 0.237 343 R C 2.384 178.527 176.300 -0.261 0.000 1.137 343 R CA 2.080 58.067 56.100 -0.189 0.000 0.951 343 R CB -0.369 29.894 30.300 -0.061 0.000 0.851 343 R HN 0.410 nan 8.270 nan 0.000 0.434 344 Q N 0.536 120.198 119.800 -0.230 0.000 2.079 344 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 344 Q C 2.031 177.824 176.000 -0.344 0.000 0.974 344 Q CA 1.540 57.197 55.803 -0.243 0.000 0.840 344 Q CB -0.205 28.409 28.738 -0.207 0.000 0.898 344 Q HN 0.455 nan 8.270 nan 0.000 0.430 345 L N 0.171 121.132 121.223 -0.436 0.000 2.046 345 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 345 L C 2.516 179.051 176.870 -0.559 0.000 1.077 345 L CA 1.827 56.327 54.840 -0.566 0.000 0.747 345 L CB -0.533 41.107 42.059 -0.698 0.000 0.896 345 L HN 0.409 nan 8.230 nan 0.000 0.432 346 E N 0.063 119.877 120.200 -0.643 0.000 2.058 346 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 346 E C 2.210 178.646 176.600 -0.273 0.000 0.997 346 E CA 1.408 57.504 56.400 -0.508 0.000 0.801 346 E CB 0.045 29.389 29.700 -0.593 0.000 0.746 346 E HN 0.501 nan 8.360 nan 0.000 0.450 347 Q N -0.467 119.191 119.800 -0.237 0.000 2.170 347 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 347 Q C 2.143 178.110 176.000 -0.053 0.000 0.976 347 Q CA 1.509 57.244 55.803 -0.113 0.000 0.858 347 Q CB -0.035 28.642 28.738 -0.101 0.000 0.907 347 Q HN 0.397 nan 8.270 nan 0.000 0.433 348 M N -0.201 119.291 119.600 -0.180 0.000 2.254 348 M HA -0.118 4.362 4.480 -0.000 0.000 0.265 348 M C 1.970 178.315 176.300 0.076 0.000 1.066 348 M CA 1.097 56.306 55.300 -0.152 0.000 1.123 348 M CB -0.032 32.303 32.600 -0.441 0.000 1.388 348 M HN 0.216 nan 8.290 nan 0.000 0.425 349 L N 0.371 121.554 121.223 -0.068 0.000 2.027 349 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 349 L C 2.239 179.153 176.870 0.074 0.000 1.074 349 L CA 1.271 56.115 54.840 0.006 0.000 0.745 349 L CB -0.343 41.672 42.059 -0.075 0.000 0.898 349 L HN 0.438 nan 8.230 nan 0.000 0.433 350 Q N -0.226 119.597 119.800 0.038 0.000 2.247 350 Q HA 0.184 4.524 4.340 -0.000 0.000 0.234 350 Q C 0.388 176.432 176.000 0.075 0.000 0.899 350 Q CA -0.019 55.809 55.803 0.042 0.000 0.951 350 Q CB 0.113 28.856 28.738 0.007 0.000 1.057 350 Q HN 0.296 nan 8.270 nan 0.000 0.444 351 G N 0.885 109.786 108.800 0.169 0.000 2.795 351 G HA2 0.269 4.229 3.960 -0.000 0.000 0.267 351 G HA3 0.269 4.229 3.960 -0.000 0.000 0.267 351 G C -0.106 174.770 174.900 -0.040 0.000 1.362 351 G CA -0.806 44.373 45.100 0.132 0.000 1.048 351 G HN 0.259 nan 8.290 nan 0.000 0.547 352 N N -0.276 118.207 118.700 -0.361 0.000 2.541 352 N HA 0.164 4.904 4.740 -0.000 0.000 0.297 352 N C -0.270 175.071 175.510 -0.281 0.000 1.503 352 N CA -0.184 52.725 53.050 -0.236 0.000 0.919 352 N CB 0.816 39.166 38.487 -0.227 0.000 1.305 352 N HN 0.420 nan 8.380 nan 0.000 0.501 353 Y N 0.062 120.407 120.300 0.075 0.000 2.523 353 Y HA 0.201 4.751 4.550 -0.000 0.000 0.279 353 Y C 1.946 177.874 175.900 0.048 0.000 1.139 353 Y CA 0.466 58.614 58.100 0.080 0.000 1.296 353 Y CB 0.378 38.946 38.460 0.179 0.000 1.045 353 Y HN 0.321 nan 8.280 nan 0.000 0.538 354 G N -1.548 107.312 108.800 0.100 0.000 2.159 354 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.227 354 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.227 354 G C -0.235 174.517 174.900 -0.247 0.000 0.986 354 G CA -0.519 44.505 45.100 -0.127 0.000 0.651 354 G HN 0.261 nan 8.290 nan 0.000 0.523 355 Y N 1.029 121.403 120.300 0.122 0.000 2.301 355 Y HA 0.569 5.119 4.550 -0.000 0.000 0.328 355 Y C 1.074 176.991 175.900 0.029 0.000 1.242 355 Y CA 0.059 58.215 58.100 0.093 0.000 1.323 355 Y CB 0.779 39.307 38.460 0.113 0.000 1.266 355 Y HN 0.288 nan 8.280 nan 0.000 0.527 356 Q N 2.028 121.955 119.800 0.211 0.000 2.353 356 Q HA 0.455 4.795 4.340 -0.000 0.000 0.268 356 Q C -0.926 175.149 176.000 0.126 0.000 1.045 356 Q CA -1.122 54.763 55.803 0.137 0.000 0.811 356 Q CB 2.636 31.450 28.738 0.127 0.000 1.305 356 Q HN 0.519 nan 8.270 nan 0.000 0.447 357 R N 2.979 123.526 120.500 0.078 0.000 2.229 357 R HA 0.411 4.751 4.340 -0.000 0.000 0.328 357 R C -1.126 175.154 176.300 -0.034 0.000 1.009 357 R CA -0.303 55.831 56.100 0.056 0.000 0.864 357 R CB 0.549 30.911 30.300 0.104 0.000 1.085 357 R HN 0.458 nan 8.270 nan 0.000 0.453 358 L N 3.945 125.020 121.223 -0.247 0.000 2.303 358 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 358 L C -0.502 176.244 176.870 -0.207 0.000 1.011 358 L CA -0.716 53.903 54.840 -0.369 0.000 0.818 358 L CB 1.592 43.137 42.059 -0.856 0.000 1.326 358 L HN 0.765 nan 8.230 nan 0.000 0.435 359 W N 2.533 123.740 121.300 -0.155 0.000 2.785 359 W HA 0.315 4.975 4.660 0.000 0.000 0.333 359 W C -1.042 175.587 176.519 0.184 0.000 1.062 359 W CA -0.511 56.850 57.345 0.026 0.000 1.233 359 W CB 2.048 31.503 29.460 -0.007 0.000 1.413 359 W HN 0.503 nan 8.180 nan 0.000 0.489 360 N N 3.773 122.212 118.700 -0.434 0.000 2.469 360 N HA 0.040 4.780 4.740 -0.000 0.000 0.253 360 N C -0.102 174.955 175.510 -0.755 0.000 0.970 360 N CA 0.155 52.977 53.050 -0.379 0.000 0.940 360 N CB 1.367 39.603 38.487 -0.418 0.000 1.128 360 N HN 0.468 nan 8.380 nan 0.000 0.503 361 D N 2.690 122.901 120.400 -0.314 0.000 2.355 361 D HA 0.070 4.710 4.640 -0.000 0.000 0.218 361 D C 0.941 177.157 176.300 -0.140 0.000 1.004 361 D CA 1.010 54.923 54.000 -0.145 0.000 0.880 361 D CB 0.607 41.504 40.800 0.161 0.000 0.911 361 D HN 0.493 nan 8.370 nan 0.000 0.528 362 K N -1.303 119.002 120.400 -0.158 0.000 2.141 362 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 362 K C 2.056 178.602 176.600 -0.090 0.000 1.045 362 K CA 1.295 57.533 56.287 -0.081 0.000 0.971 362 K CB -0.006 32.469 32.500 -0.042 0.000 0.795 362 K HN 0.119 nan 8.250 nan 0.000 0.459 363 T N -1.108 113.302 114.554 -0.240 0.000 3.067 363 T HA 0.032 4.382 4.350 -0.000 0.000 0.261 363 T C 0.356 174.809 174.700 -0.411 0.000 1.110 363 T CA 0.123 62.048 62.100 -0.291 0.000 1.113 363 T CB -0.034 68.554 68.868 -0.467 0.000 0.917 363 T HN -0.055 nan 8.240 nan 0.000 0.499 364 K N 2.091 122.122 120.400 -0.615 0.000 3.125 364 K HA -0.117 4.203 4.320 -0.000 0.000 0.268 364 K C 0.040 176.080 176.600 -0.933 0.000 1.078 364 K CA 1.271 57.070 56.287 -0.813 0.000 0.775 364 K CB -2.819 29.359 32.500 -0.535 0.000 1.253 364 K HN 0.904 nan 8.250 nan 0.000 0.486 365 T N -2.478 111.372 114.554 -1.174 0.000 2.903 365 T HA 0.736 5.086 4.350 -0.000 0.000 0.299 365 T C -2.958 171.339 174.700 -0.672 0.000 1.093 365 T CA -1.806 59.844 62.100 -0.750 0.000 1.002 365 T CB 3.805 72.433 68.868 -0.400 0.000 1.127 365 T HN -0.157 nan 8.240 nan 0.000 0.488 366 P HA 0.569 nan 4.420 nan 0.000 0.283 366 P C -1.678 175.674 177.300 0.086 0.000 1.278 366 P CA -0.550 62.548 63.100 -0.002 0.000 0.834 366 P CB 0.749 32.379 31.700 -0.116 0.000 1.150 367 Y N -1.997 118.366 120.300 0.104 0.000 2.624 367 Y HA 0.655 5.205 4.550 -0.000 0.000 0.334 367 Y C -1.748 174.304 175.900 0.254 0.000 1.155 367 Y CA -1.467 56.725 58.100 0.154 0.000 1.046 367 Y CB 0.578 39.075 38.460 0.061 0.000 1.316 367 Y HN 0.098 nan 8.280 nan 0.000 0.457 368 L N 2.802 124.162 121.223 0.228 0.000 2.334 368 L HA 0.546 4.886 4.340 -0.000 0.000 0.276 368 L C -1.404 175.688 176.870 0.370 0.000 1.014 368 L CA -1.110 53.843 54.840 0.188 0.000 0.815 368 L CB 1.927 44.001 42.059 0.026 0.000 1.268 368 L HN 0.768 nan 8.230 nan 0.000 0.428 369 Y N 1.266 121.726 120.300 0.266 0.000 2.406 369 Y HA 0.371 4.921 4.550 -0.000 0.000 0.340 369 Y C -1.001 175.069 175.900 0.284 0.000 0.975 369 Y CA -1.052 57.242 58.100 0.323 0.000 1.056 369 Y CB 1.381 40.005 38.460 0.275 0.000 1.210 369 Y HN 0.536 nan 8.280 nan 0.000 0.448 370 H N 5.155 124.001 119.070 -0.372 0.000 2.691 370 H HA 0.570 5.126 4.556 -0.000 0.000 0.281 370 H C 0.522 175.354 175.328 -0.826 0.000 1.121 370 H CA 0.269 56.020 56.048 -0.495 0.000 1.254 370 H CB 1.212 30.738 29.762 -0.394 0.000 1.390 370 H HN 0.867 nan 8.280 nan 0.000 0.491 371 A N 3.462 125.679 122.820 -1.004 0.000 1.883 371 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 371 A C 2.182 179.579 177.584 -0.311 0.000 1.186 371 A CA 1.902 53.540 52.037 -0.666 0.000 0.624 371 A CB -0.477 18.366 19.000 -0.262 0.000 0.822 371 A HN 0.821 nan 8.150 nan 0.000 0.444 372 Q N -0.605 118.999 119.800 -0.328 0.000 2.020 372 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 372 Q C 1.082 177.118 176.000 0.060 0.000 0.982 372 Q CA 1.955 57.700 55.803 -0.098 0.000 0.838 372 Q CB -0.124 28.560 28.738 -0.090 0.000 0.899 372 Q HN 0.626 nan 8.270 nan 0.000 0.423 373 N N -0.649 118.227 118.700 0.293 0.000 2.336 373 N HA 0.159 4.899 4.740 -0.000 0.000 0.189 373 N C -0.275 175.274 175.510 0.066 0.000 1.113 373 N CA 0.815 53.948 53.050 0.138 0.000 0.858 373 N CB 1.037 39.517 38.487 -0.011 0.000 0.970 373 N HN 0.417 nan 8.380 nan 0.000 0.471 374 G N 0.905 109.733 108.800 0.047 0.000 2.351 374 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.297 374 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.297 374 G C -0.514 174.464 174.900 0.130 0.000 1.054 374 G CA 0.072 45.217 45.100 0.075 0.000 1.123 374 G HN 0.247 nan 8.290 nan 0.000 0.512 375 L N -0.773 120.554 121.223 0.173 0.000 2.334 375 L HA 0.879 5.219 4.340 -0.000 0.000 0.273 375 L C -0.162 176.994 176.870 0.477 0.000 1.013 375 L CA -1.332 53.685 54.840 0.295 0.000 0.816 375 L CB 1.933 44.175 42.059 0.305 0.000 1.278 375 L HN 0.174 nan 8.230 nan 0.000 0.431 376 F N 2.399 122.555 119.950 0.344 0.000 2.547 376 F HA 0.725 5.252 4.527 -0.000 0.000 0.316 376 F C -1.233 174.791 175.800 0.374 0.000 1.121 376 F CA -0.667 57.544 58.000 0.352 0.000 0.911 376 F CB 1.733 40.838 39.000 0.175 0.000 1.179 376 F HN 0.037 nan 8.300 nan 0.000 0.443 377 V N 4.373 124.028 119.914 -0.431 0.000 2.577 377 V HA 0.496 4.616 4.120 -0.000 0.000 0.303 377 V C -0.482 175.369 176.094 -0.406 0.000 1.042 377 V CA -0.716 61.419 62.300 -0.273 0.000 0.872 377 V CB 1.778 33.510 31.823 -0.151 0.000 0.998 377 V HN 0.848 nan 8.190 nan 0.000 0.423 378 T N 5.017 119.458 114.554 -0.188 0.000 2.797 378 T HA 0.788 5.138 4.350 -0.000 0.000 0.279 378 T C -0.941 173.884 174.700 0.209 0.000 0.991 378 T CA -0.205 61.897 62.100 0.002 0.000 0.979 378 T CB 0.705 69.605 68.868 0.053 0.000 0.943 378 T HN 0.835 nan 8.240 nan 0.000 0.444 379 Y N 1.520 121.810 120.300 -0.016 0.000 2.840 379 Y HA 0.824 5.374 4.550 -0.000 0.000 0.324 379 Y C -1.593 174.288 175.900 -0.031 0.000 1.378 379 Y CA -1.581 56.491 58.100 -0.045 0.000 1.077 379 Y CB 0.468 38.904 38.460 -0.040 0.000 1.361 379 Y HN 0.512 nan 8.280 nan 0.000 0.459 380 D N 0.149 120.437 120.400 -0.187 0.000 2.490 380 D HA 0.517 5.157 4.640 -0.000 0.000 0.232 380 D C -1.471 174.485 176.300 -0.574 0.000 1.053 380 D CA -0.202 53.554 54.000 -0.406 0.000 0.914 380 D CB 2.049 42.711 40.800 -0.231 0.000 1.431 380 D HN 0.732 nan 8.370 nan 0.000 0.483 381 D N -0.817 119.127 120.400 -0.760 0.000 2.812 381 D HA 0.407 5.047 4.640 -0.000 0.000 0.318 381 D C 0.343 176.137 176.300 -0.843 0.000 1.234 381 D CA -0.748 52.812 54.000 -0.734 0.000 0.989 381 D CB 0.341 41.046 40.800 -0.158 0.000 1.442 381 D HN 0.292 nan 8.370 nan 0.000 0.537 382 A N -0.539 121.980 122.820 -0.502 0.000 2.019 382 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 382 A C 1.862 179.444 177.584 -0.003 0.000 1.164 382 A CA 2.107 54.020 52.037 -0.207 0.000 0.644 382 A CB -0.886 18.042 19.000 -0.120 0.000 0.805 382 A HN 0.673 nan 8.150 nan 0.000 0.449 383 E N 0.212 120.380 120.200 -0.054 0.000 2.086 383 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 383 E C 2.159 178.905 176.600 0.242 0.000 0.975 383 E CA 1.149 57.555 56.400 0.010 0.000 0.813 383 E CB -0.070 29.537 29.700 -0.155 0.000 0.768 383 E HN 0.702 nan 8.360 nan 0.000 0.457 384 S N 0.077 115.947 115.700 0.284 0.000 2.402 384 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 384 S C 1.730 176.577 174.600 0.412 0.000 1.021 384 S CA 0.524 58.986 58.200 0.437 0.000 0.974 384 S CB -0.475 62.807 63.200 0.136 0.000 0.800 384 S HN 0.207 nan 8.310 nan 0.000 0.484 385 F N 2.464 122.502 119.950 0.148 0.000 2.333 385 F HA 0.181 4.708 4.527 -0.000 0.000 0.300 385 F C 2.247 178.070 175.800 0.038 0.000 1.083 385 F CA -0.010 58.067 58.000 0.129 0.000 1.395 385 F CB -0.729 38.352 39.000 0.136 0.000 1.056 385 F HN 0.264 nan 8.300 nan 0.000 0.529 386 K N -0.780 119.597 120.400 -0.040 0.000 2.057 386 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 386 K C 1.985 178.389 176.600 -0.327 0.000 1.049 386 K CA 1.757 57.674 56.287 -0.618 0.000 0.931 386 K CB -0.468 31.574 32.500 -0.764 0.000 0.714 386 K HN 0.227 nan 8.250 nan 0.000 0.440 387 Y N 1.233 121.584 120.300 0.084 0.000 2.200 387 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 387 Y C 2.200 178.190 175.900 0.151 0.000 1.137 387 Y CA 1.164 59.349 58.100 0.142 0.000 1.163 387 Y CB -0.151 38.411 38.460 0.171 0.000 0.988 387 Y HN -0.049 nan 8.280 nan 0.000 0.518 388 K N -0.055 120.515 120.400 0.282 0.000 2.057 388 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 388 K C 2.398 179.150 176.600 0.252 0.000 1.049 388 K CA 1.115 57.533 56.287 0.218 0.000 0.931 388 K CB -0.386 32.233 32.500 0.199 0.000 0.714 388 K HN 0.273 nan 8.250 nan 0.000 0.440 389 A N 1.774 124.703 122.820 0.181 0.000 1.902 389 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 389 A C 2.046 179.806 177.584 0.293 0.000 1.181 389 A CA 1.664 53.815 52.037 0.190 0.000 0.623 389 A CB -0.362 18.595 19.000 -0.072 0.000 0.818 389 A HN 0.219 nan 8.150 nan 0.000 0.443 390 K N -1.872 118.654 120.400 0.210 0.000 2.097 390 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 390 K C 1.883 178.649 176.600 0.276 0.000 1.049 390 K CA 1.630 58.050 56.287 0.221 0.000 0.933 390 K CB -0.362 32.236 32.500 0.165 0.000 0.717 390 K HN 0.538 nan 8.250 nan 0.000 0.442 391 Y N 1.296 121.711 120.300 0.190 0.000 2.145 391 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 391 Y C 1.778 177.780 175.900 0.170 0.000 1.145 391 Y CA 1.729 59.937 58.100 0.181 0.000 1.148 391 Y CB -0.074 38.461 38.460 0.124 0.000 0.981 391 Y HN 0.015 nan 8.280 nan 0.000 0.507 392 I N 0.149 120.932 120.570 0.355 0.000 2.208 392 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 392 I C 2.260 178.459 176.117 0.138 0.000 1.097 392 I CA 1.755 63.207 61.300 0.254 0.000 1.363 392 I CB -0.359 37.856 38.000 0.359 0.000 1.051 392 I HN 0.224 nan 8.210 nan 0.000 0.413 393 K N 0.249 120.763 120.400 0.189 0.000 2.062 393 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 393 K C 2.156 178.791 176.600 0.058 0.000 1.051 393 K CA 1.187 57.551 56.287 0.129 0.000 0.941 393 K CB -0.181 32.433 32.500 0.191 0.000 0.719 393 K HN 0.381 nan 8.250 nan 0.000 0.440 394 Q N 0.456 120.279 119.800 0.038 0.000 2.124 394 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 394 Q C 1.766 177.724 176.000 -0.070 0.000 0.977 394 Q CA 1.005 56.803 55.803 -0.010 0.000 0.850 394 Q CB 0.158 28.889 28.738 -0.011 0.000 0.901 394 Q HN 0.251 nan 8.270 nan 0.000 0.429 395 Q N 0.111 119.819 119.800 -0.154 0.000 2.403 395 Q HA 0.006 4.346 4.340 -0.000 0.000 0.203 395 Q C -0.256 175.714 176.000 -0.050 0.000 0.932 395 Q CA 0.231 55.940 55.803 -0.156 0.000 0.945 395 Q CB 0.559 29.102 28.738 -0.325 0.000 1.045 395 Q HN 0.402 nan 8.270 nan 0.000 0.511 396 Q N 0.519 120.307 119.800 -0.020 0.000 2.451 396 Q HA -0.190 4.150 4.340 -0.000 0.000 0.305 396 Q C -0.560 175.450 176.000 0.017 0.000 1.345 396 Q CA 0.271 56.076 55.803 0.004 0.000 0.854 396 Q CB -1.932 26.811 28.738 0.008 0.000 1.162 396 Q HN 0.371 nan 8.270 nan 0.000 0.440 397 L N -1.627 119.610 121.223 0.024 0.000 2.468 397 L HA 0.268 4.608 4.340 -0.000 0.000 0.254 397 L C 1.806 178.693 176.870 0.029 0.000 1.171 397 L CA 0.495 55.364 54.840 0.047 0.000 0.809 397 L CB 0.186 42.293 42.059 0.080 0.000 1.155 397 L HN 0.322 nan 8.230 nan 0.000 0.473 398 G N -0.795 108.043 108.800 0.063 0.000 2.572 398 G HA2 0.378 4.338 3.960 -0.000 0.000 0.216 398 G HA3 0.378 4.338 3.960 -0.000 0.000 0.216 398 G C 0.534 175.384 174.900 -0.083 0.000 1.133 398 G CA 0.735 45.884 45.100 0.083 0.000 0.791 398 G HN 0.949 nan 8.290 nan 0.000 0.538 399 G N -2.025 106.702 108.800 -0.122 0.000 2.356 399 G HA2 0.374 4.334 3.960 -0.000 0.000 0.266 399 G HA3 0.374 4.334 3.960 -0.000 0.000 0.266 399 G C -1.718 173.177 174.900 -0.008 0.000 1.312 399 G CA 0.088 45.069 45.100 -0.197 0.000 0.922 399 G HN 0.852 nan 8.290 nan 0.000 0.480 400 V N 0.968 120.931 119.914 0.081 0.000 3.040 400 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 400 V C -0.613 175.544 176.094 0.104 0.000 1.115 400 V CA -0.697 61.702 62.300 0.165 0.000 0.998 400 V CB 1.889 33.891 31.823 0.299 0.000 1.042 400 V HN 1.253 nan 8.190 nan 0.000 0.433 401 M N 5.992 125.673 119.600 0.134 0.000 2.572 401 M HA 0.676 5.156 4.480 -0.000 0.000 0.299 401 M C -2.142 174.298 176.300 0.234 0.000 1.205 401 M CA -0.523 54.831 55.300 0.089 0.000 0.876 401 M CB 2.036 34.695 32.600 0.099 0.000 1.728 401 M HN 0.785 nan 8.290 nan 0.000 0.458 402 F N 1.543 121.532 119.950 0.065 0.000 2.613 402 F HA 0.750 5.277 4.527 -0.000 0.000 0.310 402 F C -2.072 173.759 175.800 0.052 0.000 1.085 402 F CA -1.075 56.884 58.000 -0.068 0.000 0.945 402 F CB 1.206 39.838 39.000 -0.615 0.000 1.298 402 F HN 0.688 nan 8.300 nan 0.000 0.455 403 W N 5.399 126.722 121.300 0.037 0.000 2.411 403 W HA 0.558 5.218 4.660 0.000 0.000 0.317 403 W C -1.894 174.702 176.519 0.127 0.000 1.030 403 W CA -0.624 56.745 57.345 0.039 0.000 1.239 403 W CB 1.392 30.790 29.460 -0.104 0.000 1.304 403 W HN 1.025 nan 8.180 nan 0.000 0.437 404 H N 1.924 120.786 119.070 -0.347 0.000 2.977 404 H HA 0.371 4.927 4.556 -0.000 0.000 0.350 404 H C 0.454 175.655 175.328 -0.211 0.000 1.238 404 H CA -0.957 54.774 56.048 -0.529 0.000 1.124 404 H CB 1.228 30.209 29.762 -1.301 0.000 1.866 404 H HN 0.262 nan 8.280 nan 0.000 0.550 405 L N 0.347 121.606 121.223 0.059 0.000 2.081 405 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 405 L C 2.346 178.886 176.870 -0.549 0.000 1.080 405 L CA 1.881 56.749 54.840 0.048 0.000 0.754 405 L CB -0.527 41.678 42.059 0.243 0.000 0.893 405 L HN 1.032 nan 8.230 nan 0.000 0.433 406 G N -1.549 106.867 108.800 -0.639 0.000 2.776 406 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.209 406 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.209 406 G C 1.310 175.864 174.900 -0.578 0.000 1.145 406 G CA -0.009 44.458 45.100 -1.055 0.000 0.791 406 G HN 0.448 nan 8.290 nan 0.000 0.530 407 Q N -0.330 119.166 119.800 -0.507 0.000 2.356 407 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 407 Q C 0.167 176.160 176.000 -0.010 0.000 0.901 407 Q CA -0.413 55.250 55.803 -0.234 0.000 0.938 407 Q CB 0.551 29.145 28.738 -0.239 0.000 1.081 407 Q HN 0.270 nan 8.270 nan 0.000 0.517 408 D N 1.749 122.169 120.400 0.032 0.000 2.360 408 D HA -0.020 4.620 4.640 -0.000 0.000 0.242 408 D C -0.072 176.270 176.300 0.070 0.000 1.184 408 D CA -0.132 53.887 54.000 0.032 0.000 0.930 408 D CB 0.680 41.525 40.800 0.075 0.000 1.161 408 D HN 0.090 nan 8.370 nan 0.000 0.447 409 N N 0.790 119.561 118.700 0.119 0.000 2.317 409 N HA 0.044 4.784 4.740 -0.000 0.000 0.245 409 N C 0.838 176.411 175.510 0.105 0.000 1.294 409 N CA -0.001 53.108 53.050 0.098 0.000 0.924 409 N CB 0.298 38.849 38.487 0.107 0.000 1.186 409 N HN 0.326 nan 8.380 nan 0.000 0.495 410 R N -0.735 119.820 120.500 0.091 0.000 2.105 410 R HA -0.037 4.303 4.340 -0.000 0.000 0.239 410 R C 0.953 177.309 176.300 0.094 0.000 1.135 410 R CA 1.348 57.512 56.100 0.107 0.000 0.967 410 R CB -0.360 29.982 30.300 0.069 0.000 0.861 410 R HN 0.585 nan 8.270 nan 0.000 0.442 411 N N -0.168 118.571 118.700 0.065 0.000 2.515 411 N HA -0.033 4.707 4.740 -0.000 0.000 0.185 411 N C 0.710 176.248 175.510 0.047 0.000 1.109 411 N CA 1.152 54.230 53.050 0.047 0.000 0.903 411 N CB 0.564 39.066 38.487 0.026 0.000 0.969 411 N HN 0.412 nan 8.380 nan 0.000 0.450 412 G N 1.510 110.348 108.800 0.063 0.000 2.246 412 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 412 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 412 G C 0.460 175.343 174.900 -0.030 0.000 1.055 412 G CA 0.400 45.531 45.100 0.051 0.000 0.851 412 G HN 0.223 nan 8.290 nan 0.000 0.500 413 D N -0.179 120.187 120.400 -0.058 0.000 2.144 413 D HA -0.056 4.584 4.640 -0.000 0.000 0.199 413 D C 2.718 178.878 176.300 -0.233 0.000 0.984 413 D CA 0.964 54.894 54.000 -0.117 0.000 0.834 413 D CB -0.004 40.750 40.800 -0.076 0.000 0.955 413 D HN 0.542 nan 8.370 nan 0.000 0.465 414 L N 0.071 121.069 121.223 -0.374 0.000 2.027 414 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 414 L C 2.408 179.109 176.870 -0.282 0.000 1.074 414 L CA 0.492 55.021 54.840 -0.519 0.000 0.745 414 L CB -0.352 40.961 42.059 -1.242 0.000 0.898 414 L HN 0.096 nan 8.230 nan 0.000 0.433 415 L N 0.417 121.533 121.223 -0.179 0.000 2.046 415 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 415 L C 2.598 179.401 176.870 -0.111 0.000 1.077 415 L CA 2.001 56.794 54.840 -0.077 0.000 0.747 415 L CB -0.731 41.356 42.059 0.047 0.000 0.896 415 L HN 0.128 nan 8.230 nan 0.000 0.432 416 A N -0.457 122.288 122.820 -0.124 0.000 1.933 416 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 416 A C 2.458 179.861 177.584 -0.301 0.000 1.175 416 A CA 1.701 53.647 52.037 -0.152 0.000 0.628 416 A CB -1.106 17.827 19.000 -0.111 0.000 0.814 416 A HN 0.593 nan 8.150 nan 0.000 0.444 417 A N -0.012 122.575 122.820 -0.389 0.000 1.877 417 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 417 A C 2.162 179.098 177.584 -1.080 0.000 1.186 417 A CA 1.538 53.119 52.037 -0.759 0.000 0.620 417 A CB -0.684 18.001 19.000 -0.526 0.000 0.822 417 A HN 0.474 nan 8.150 nan 0.000 0.443 418 L N -0.553 120.308 121.223 -0.603 0.000 2.042 418 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 418 L C 2.429 178.988 176.870 -0.518 0.000 1.076 418 L CA 1.949 56.440 54.840 -0.582 0.000 0.749 418 L CB -0.646 41.206 42.059 -0.344 0.000 0.893 418 L HN 0.548 nan 8.230 nan 0.000 0.432 419 D N -0.102 120.136 120.400 -0.270 0.000 2.144 419 D HA -0.222 4.418 4.640 -0.000 0.000 0.200 419 D C 2.316 178.529 176.300 -0.144 0.000 0.978 419 D CA 0.969 54.919 54.000 -0.083 0.000 0.833 419 D CB 0.078 40.865 40.800 -0.023 0.000 0.961 419 D HN 0.084 nan 8.370 nan 0.000 0.470 420 R N -1.080 119.217 120.500 -0.339 0.000 2.073 420 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 420 R C 1.798 177.928 176.300 -0.283 0.000 1.134 420 R CA 1.296 57.210 56.100 -0.310 0.000 0.952 420 R CB -0.424 29.603 30.300 -0.455 0.000 0.850 420 R HN 0.253 nan 8.270 nan 0.000 0.433 421 Y N -0.476 119.515 120.300 -0.515 0.000 2.333 421 Y HA -0.118 4.432 4.550 -0.000 0.000 0.290 421 Y C 1.845 177.696 175.900 -0.080 0.000 1.144 421 Y CA 0.587 58.354 58.100 -0.555 0.000 1.228 421 Y CB -0.410 37.685 38.460 -0.608 0.000 0.985 421 Y HN 0.066 nan 8.280 nan 0.000 0.542 422 F N -0.795 119.230 119.950 0.126 0.000 2.446 422 F HA 0.067 4.594 4.527 -0.000 0.000 0.292 422 F C 1.385 177.253 175.800 0.113 0.000 1.096 422 F CA 0.577 58.653 58.000 0.127 0.000 1.438 422 F CB -0.624 38.426 39.000 0.084 0.000 1.107 422 F HN 0.039 nan 8.300 nan 0.000 0.546 423 N N -1.031 117.828 118.700 0.265 0.000 2.239 423 N HA 0.285 5.025 4.740 -0.000 0.000 0.208 423 N C 0.264 175.859 175.510 0.141 0.000 1.200 423 N CA 0.066 53.226 53.050 0.185 0.000 0.895 423 N CB 0.541 39.117 38.487 0.149 0.000 1.085 423 N HN -0.012 nan 8.380 nan 0.000 0.500 424 A N 0.874 123.774 122.820 0.134 0.000 2.454 424 A HA 0.560 4.880 4.320 -0.000 0.000 0.260 424 A C 1.351 179.029 177.584 0.156 0.000 1.106 424 A CA -0.084 52.027 52.037 0.124 0.000 0.780 424 A CB 0.281 19.342 19.000 0.102 0.000 1.044 424 A HN 0.308 nan 8.150 nan 0.000 0.498 425 A N 2.214 125.101 122.820 0.112 0.000 2.070 425 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 425 A C 1.122 178.764 177.584 0.097 0.000 1.159 425 A CA 1.732 53.827 52.037 0.097 0.000 0.656 425 A CB -0.353 18.688 19.000 0.069 0.000 0.800 425 A HN 0.844 nan 8.150 nan 0.000 0.453 426 D N -2.810 117.658 120.400 0.113 0.000 2.388 426 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 426 D C -0.140 176.250 176.300 0.150 0.000 1.133 426 D CA -0.372 53.689 54.000 0.102 0.000 0.831 426 D CB -0.533 40.315 40.800 0.080 0.000 0.962 426 D HN 0.419 nan 8.370 nan 0.000 0.502 427 Y N 1.152 121.485 120.300 0.055 0.000 2.352 427 Y HA 0.478 5.028 4.550 -0.000 0.000 0.339 427 Y C -1.521 174.410 175.900 0.052 0.000 0.992 427 Y CA -1.431 56.709 58.100 0.066 0.000 1.100 427 Y CB 1.755 40.286 38.460 0.119 0.000 1.192 427 Y HN -0.174 nan 8.280 nan 0.000 0.458 428 D N 4.367 124.374 120.400 -0.656 0.000 2.479 428 D HA 0.165 4.805 4.640 -0.000 0.000 0.246 428 D C -1.030 174.898 176.300 -0.619 0.000 1.336 428 D CA -0.594 53.131 54.000 -0.458 0.000 0.967 428 D CB 0.889 41.567 40.800 -0.204 0.000 1.275 428 D HN 0.668 nan 8.370 nan 0.000 0.577 429 D N 1.472 121.549 120.400 -0.538 0.000 2.427 429 D HA 0.006 4.646 4.640 -0.000 0.000 0.224 429 D C 1.308 177.518 176.300 -0.150 0.000 1.157 429 D CA 0.036 53.816 54.000 -0.367 0.000 0.828 429 D CB 0.055 40.715 40.800 -0.234 0.000 0.974 429 D HN 0.192 nan 8.370 nan 0.000 0.498 430 S N 0.462 116.089 115.700 -0.121 0.000 2.387 430 S HA -0.295 4.175 4.470 -0.000 0.000 0.230 430 S C 1.618 176.197 174.600 -0.034 0.000 1.035 430 S CA 0.990 59.159 58.200 -0.051 0.000 1.014 430 S CB -0.546 62.628 63.200 -0.043 0.000 0.836 430 S HN 0.375 nan 8.310 nan 0.000 0.466 431 Q N 0.317 120.085 119.800 -0.054 0.000 2.280 431 Q HA 0.400 4.740 4.340 -0.000 0.000 0.201 431 Q C -0.393 175.603 176.000 -0.007 0.000 0.890 431 Q CA -0.456 55.333 55.803 -0.023 0.000 0.947 431 Q CB 0.159 28.881 28.738 -0.027 0.000 1.081 431 Q HN 0.473 nan 8.270 nan 0.000 0.502 432 L N 2.358 123.568 121.223 -0.023 0.000 2.513 432 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 432 L C -0.267 176.674 176.870 0.118 0.000 1.187 432 L CA 0.327 55.171 54.840 0.006 0.000 0.895 432 L CB 0.474 42.480 42.059 -0.089 0.000 1.147 432 L HN -0.060 nan 8.230 nan 0.000 0.483 433 D N 5.103 125.615 120.400 0.186 0.000 2.338 433 D HA 0.056 4.696 4.640 -0.000 0.000 0.255 433 D C 0.886 177.385 176.300 0.332 0.000 1.237 433 D CA -0.130 53.995 54.000 0.209 0.000 0.883 433 D CB 0.772 41.671 40.800 0.166 0.000 1.087 433 D HN 0.493 nan 8.370 nan 0.000 0.485 434 M N 2.580 122.347 119.600 0.279 0.000 2.630 434 M HA 0.175 4.655 4.480 -0.000 0.000 0.254 434 M C 1.250 177.658 176.300 0.179 0.000 1.092 434 M CA 0.563 56.073 55.300 0.350 0.000 1.087 434 M CB -1.467 31.338 32.600 0.342 0.000 1.453 434 M HN 0.623 nan 8.290 nan 0.000 0.509 435 G N 0.634 109.490 108.800 0.092 0.000 2.725 435 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 435 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 435 G C 0.208 175.063 174.900 -0.076 0.000 1.357 435 G CA 0.068 45.178 45.100 0.017 0.000 0.866 435 G HN 0.393 nan 8.290 nan 0.000 0.548 436 T N -1.614 112.899 114.554 -0.069 0.000 3.174 436 T HA 0.604 4.954 4.350 -0.000 0.000 0.269 436 T C 1.278 175.917 174.700 -0.103 0.000 1.017 436 T CA 1.091 63.137 62.100 -0.091 0.000 0.899 436 T CB 0.393 69.237 68.868 -0.041 0.000 1.077 436 T HN 1.972 nan 8.240 nan 0.000 0.552 437 G N 1.840 110.569 108.800 -0.118 0.000 2.664 437 G HA2 0.451 4.411 3.960 -0.000 0.000 0.242 437 G HA3 0.451 4.411 3.960 -0.000 0.000 0.242 437 G C -0.082 174.771 174.900 -0.079 0.000 1.225 437 G CA -0.692 44.383 45.100 -0.041 0.000 0.849 437 G HN 0.367 nan 8.290 nan 0.000 0.581 438 L N 0.668 121.903 121.223 0.019 0.000 2.410 438 L HA 0.282 4.622 4.340 -0.000 0.000 0.273 438 L C 0.803 177.739 176.870 0.110 0.000 1.152 438 L CA 0.106 54.966 54.840 0.034 0.000 0.855 438 L CB 0.807 42.900 42.059 0.056 0.000 1.129 438 L HN 0.479 nan 8.230 nan 0.000 0.463 439 R N 2.195 122.738 120.500 0.072 0.000 2.536 439 R HA 0.288 4.628 4.340 -0.000 0.000 0.279 439 R C -0.743 175.695 176.300 0.229 0.000 1.001 439 R CA -0.604 55.612 56.100 0.193 0.000 1.027 439 R CB 0.649 31.008 30.300 0.099 0.000 1.096 439 R HN 0.318 nan 8.270 nan 0.000 0.502 440 Y N 0.903 121.325 120.300 0.204 0.000 2.402 440 Y HA 0.096 4.646 4.550 -0.000 0.000 0.333 440 Y C 0.764 176.731 175.900 0.112 0.000 1.076 440 Y CA 0.340 58.542 58.100 0.170 0.000 1.299 440 Y CB 0.866 39.441 38.460 0.192 0.000 1.197 440 Y HN 0.713 nan 8.280 nan 0.000 0.517 441 T N 1.782 116.124 114.554 -0.353 0.000 3.174 441 T HA 0.348 4.698 4.350 -0.000 0.000 0.269 441 T C 0.743 175.252 174.700 -0.318 0.000 1.017 441 T CA -0.044 61.919 62.100 -0.229 0.000 0.899 441 T CB -0.446 68.332 68.868 -0.150 0.000 1.077 441 T HN 0.791 nan 8.240 nan 0.000 0.552 442 G N 0.941 109.388 108.800 -0.588 0.000 2.554 442 G HA2 0.477 4.437 3.960 -0.000 0.000 0.238 442 G HA3 0.477 4.437 3.960 -0.000 0.000 0.238 442 G C -0.739 174.086 174.900 -0.126 0.000 1.259 442 G CA -0.281 44.609 45.100 -0.350 0.000 0.843 442 G HN 0.403 nan 8.290 nan 0.000 0.582 443 V N 1.180 121.000 119.914 -0.156 0.000 2.487 443 V HA 0.801 4.921 4.120 -0.000 0.000 0.298 443 V C 0.728 176.719 176.094 -0.171 0.000 1.028 443 V CA 0.105 62.332 62.300 -0.121 0.000 0.860 443 V CB 1.329 33.075 31.823 -0.128 0.000 0.991 443 V HN 1.141 nan 8.190 nan 0.000 0.427 444 G N 4.016 112.740 108.800 -0.127 0.000 3.105 444 G HA2 0.612 4.572 3.960 -0.000 0.000 0.277 444 G HA3 0.612 4.572 3.960 -0.000 0.000 0.277 444 G C -2.474 172.304 174.900 -0.204 0.000 1.375 444 G CA -1.242 43.746 45.100 -0.186 0.000 0.962 444 G HN 0.456 nan 8.290 nan 0.000 0.541 445 P HA -0.029 nan 4.420 nan 0.000 0.218 445 P C 1.855 179.107 177.300 -0.080 0.000 1.148 445 P CA 1.774 64.741 63.100 -0.221 0.000 0.822 445 P CB 0.173 31.746 31.700 -0.212 0.000 0.784 446 G N -0.541 108.248 108.800 -0.019 0.000 2.511 446 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 446 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 446 G C 0.723 175.633 174.900 0.017 0.000 1.133 446 G CA 0.361 45.472 45.100 0.019 0.000 0.792 446 G HN 0.499 nan 8.290 nan 0.000 0.539 447 N N -0.870 117.831 118.700 0.002 0.000 2.497 447 N HA 0.350 5.090 4.740 -0.000 0.000 0.284 447 N C -0.150 175.345 175.510 -0.024 0.000 1.459 447 N CA -0.502 52.551 53.050 0.005 0.000 0.899 447 N CB 0.234 38.740 38.487 0.032 0.000 1.316 447 N HN 0.020 nan 8.380 nan 0.000 0.500 448 L N 0.749 121.945 121.223 -0.043 0.000 2.456 448 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 448 L C -1.877 174.969 176.870 -0.040 0.000 1.189 448 L CA -1.677 53.125 54.840 -0.063 0.000 0.846 448 L CB 0.241 42.256 42.059 -0.073 0.000 1.111 448 L HN 0.108 nan 8.230 nan 0.000 0.475 449 P HA 0.169 nan 4.420 nan 0.000 0.274 449 P C -0.525 176.755 177.300 -0.033 0.000 1.231 449 P CA -0.271 62.810 63.100 -0.032 0.000 0.790 449 P CB 0.541 32.222 31.700 -0.032 0.000 0.951 450 I N 2.468 123.020 120.570 -0.028 0.000 2.441 450 I HA 0.229 4.398 4.170 -0.000 0.000 0.287 450 I C 0.695 176.796 176.117 -0.027 0.000 1.049 450 I CA 0.378 61.658 61.300 -0.033 0.000 1.381 450 I CB 0.050 38.032 38.000 -0.030 0.000 1.409 450 I HN 0.207 nan 8.210 nan 0.000 0.523 451 M N 4.207 123.790 119.600 -0.028 0.000 2.704 451 M HA 0.459 4.939 4.480 -0.000 0.000 0.284 451 M C -0.875 175.421 176.300 -0.007 0.000 1.275 451 M CA -0.644 54.648 55.300 -0.014 0.000 0.811 451 M CB 2.748 35.341 32.600 -0.012 0.000 1.741 451 M HN 0.357 nan 8.290 nan 0.000 0.458 452 T N 1.069 115.627 114.554 0.007 0.000 2.861 452 T HA 0.862 5.212 4.350 -0.000 0.000 0.287 452 T C -1.281 173.440 174.700 0.035 0.000 1.003 452 T CA -0.691 61.419 62.100 0.016 0.000 0.977 452 T CB 1.709 70.586 68.868 0.014 0.000 0.996 452 T HN 0.742 nan 8.240 nan 0.000 0.448 453 A N 3.836 126.686 122.820 0.049 0.000 2.604 453 A HA 0.868 5.188 4.320 -0.000 0.000 0.295 453 A C -3.008 174.625 177.584 0.081 0.000 1.067 453 A CA -1.610 50.470 52.037 0.072 0.000 0.683 453 A CB 0.999 20.056 19.000 0.094 0.000 1.281 453 A HN 0.563 nan 8.150 nan 0.000 0.407 454 P HA 0.400 nan 4.420 nan 0.000 0.271 454 P C 0.234 177.603 177.300 0.114 0.000 1.218 454 P CA 0.297 63.453 63.100 0.093 0.000 0.780 454 P CB 0.794 32.553 31.700 0.099 0.000 0.901 455 A N 3.327 126.209 122.820 0.103 0.000 2.520 455 A HA 0.004 4.324 4.320 -0.000 0.000 0.235 455 A C -0.058 177.607 177.584 0.135 0.000 1.065 455 A CA -0.060 52.053 52.037 0.128 0.000 0.764 455 A CB -0.588 18.472 19.000 0.100 0.000 1.002 455 A HN 0.600 nan 8.150 nan 0.000 0.502 456 Y N 2.251 122.566 120.300 0.025 0.000 2.425 456 Y HA 0.397 4.947 4.550 -0.000 0.000 0.331 456 Y C -0.276 175.627 175.900 0.004 0.000 1.157 456 Y CA -0.000 58.042 58.100 -0.097 0.000 1.372 456 Y CB 0.607 38.783 38.460 -0.474 0.000 1.253 456 Y HN 0.369 nan 8.280 nan 0.000 0.536 457 V N 9.278 128.766 119.914 -0.710 0.000 2.350 457 V HA 0.318 4.438 4.120 -0.000 0.000 0.285 457 V C -2.230 173.381 176.094 -0.805 0.000 1.014 457 V CA -2.124 59.843 62.300 -0.555 0.000 0.831 457 V CB 1.228 32.918 31.823 -0.223 0.000 1.000 457 V HN 0.748 nan 8.190 nan 0.000 0.433 458 P HA 0.257 nan 4.420 nan 0.000 0.266 458 P C 1.047 178.249 177.300 -0.164 0.000 1.195 458 P CA 1.407 64.322 63.100 -0.309 0.000 0.768 458 P CB 0.770 32.422 31.700 -0.080 0.000 0.838 459 G N 1.193 109.959 108.800 -0.057 0.000 2.213 459 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.236 459 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.236 459 G C 0.312 175.173 174.900 -0.065 0.000 0.991 459 G CA 0.012 45.088 45.100 -0.040 0.000 0.629 459 G HN 0.602 nan 8.290 nan 0.000 0.517 460 T N 2.070 116.550 114.554 -0.123 0.000 2.889 460 T HA 0.546 4.896 4.350 -0.000 0.000 0.291 460 T C 0.229 174.804 174.700 -0.209 0.000 0.995 460 T CA 0.625 62.576 62.100 -0.250 0.000 1.092 460 T CB 1.528 70.096 68.868 -0.500 0.000 0.954 460 T HN 0.203 nan 8.240 nan 0.000 0.506 461 T N 3.453 117.857 114.554 -0.250 0.000 2.749 461 T HA 0.421 4.771 4.350 -0.000 0.000 0.287 461 T C -0.833 173.712 174.700 -0.259 0.000 0.970 461 T CA -0.319 61.718 62.100 -0.104 0.000 0.980 461 T CB 0.059 68.928 68.868 0.003 0.000 0.924 461 T HN 0.381 nan 8.240 nan 0.000 0.456 462 Y N 1.429 121.735 120.300 0.009 0.000 2.360 462 Y HA 0.596 5.146 4.550 -0.000 0.000 0.337 462 Y C 0.685 176.467 175.900 -0.196 0.000 1.039 462 Y CA -1.054 57.011 58.100 -0.057 0.000 1.109 462 Y CB 1.047 39.508 38.460 0.001 0.000 1.201 462 Y HN 0.772 nan 8.280 nan 0.000 0.458 463 A N 2.459 125.245 122.820 -0.056 0.000 2.296 463 A HA 0.231 4.551 4.320 -0.000 0.000 0.264 463 A C -0.099 177.393 177.584 -0.153 0.000 1.097 463 A CA -0.685 51.240 52.037 -0.187 0.000 0.811 463 A CB 0.294 19.206 19.000 -0.147 0.000 1.072 463 A HN 0.803 nan 8.150 nan 0.000 0.495 464 Q N -0.474 119.231 119.800 -0.159 0.000 2.330 464 Q HA 0.370 4.710 4.340 -0.000 0.000 0.279 464 Q C 1.074 177.023 176.000 -0.085 0.000 1.024 464 Q CA 1.140 56.870 55.803 -0.121 0.000 0.900 464 Q CB 0.192 28.898 28.738 -0.054 0.000 1.221 464 Q HN 1.800 nan 8.270 nan 0.000 0.396 465 G N 2.030 110.774 108.800 -0.094 0.000 2.179 465 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 465 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 465 G C 0.158 175.051 174.900 -0.011 0.000 0.977 465 G CA 0.069 45.143 45.100 -0.043 0.000 0.641 465 G HN 0.983 nan 8.290 nan 0.000 0.533 466 A N -0.311 122.501 122.820 -0.014 0.000 2.445 466 A HA 0.716 5.036 4.320 -0.000 0.000 0.242 466 A C 0.335 177.993 177.584 0.123 0.000 1.075 466 A CA 0.307 52.392 52.037 0.081 0.000 0.777 466 A CB 0.407 19.515 19.000 0.180 0.000 1.013 466 A HN 0.956 nan 8.150 nan 0.000 0.493 467 L N 1.920 123.238 121.223 0.157 0.000 2.346 467 L HA 0.713 5.053 4.340 -0.000 0.000 0.276 467 L C -0.292 176.687 176.870 0.181 0.000 1.006 467 L CA -0.811 54.138 54.840 0.180 0.000 0.817 467 L CB 1.924 44.056 42.059 0.121 0.000 1.272 467 L HN 0.694 nan 8.230 nan 0.000 0.421 468 V N -0.856 119.171 119.914 0.188 0.000 3.114 468 V HA 0.808 4.928 4.120 -0.000 0.000 0.308 468 V C -0.417 175.791 176.094 0.189 0.000 1.168 468 V CA -0.703 61.672 62.300 0.124 0.000 1.015 468 V CB 2.002 33.796 31.823 -0.048 0.000 1.050 468 V HN 0.754 nan 8.190 nan 0.000 0.433 469 S N 1.863 117.677 115.700 0.190 0.000 2.475 469 S HA 0.864 5.334 4.470 -0.000 0.000 0.298 469 S C -1.129 173.665 174.600 0.323 0.000 1.119 469 S CA -0.551 57.793 58.200 0.240 0.000 1.085 469 S CB 1.373 64.656 63.200 0.138 0.000 1.028 469 S HN 1.532 nan 8.310 nan 0.000 0.489 470 Y N 1.140 121.567 120.300 0.212 0.000 2.436 470 Y HA 0.268 4.818 4.550 -0.000 0.000 0.327 470 Y C -0.450 175.595 175.900 0.242 0.000 1.138 470 Y CA -0.678 57.477 58.100 0.091 0.000 1.042 470 Y CB 1.311 39.592 38.460 -0.298 0.000 1.302 470 Y HN 0.960 nan 8.280 nan 0.000 0.439 471 Q N 4.083 123.690 119.800 -0.322 0.000 2.435 471 Q HA -0.246 4.094 4.340 -0.000 0.000 0.312 471 Q C 1.050 177.019 176.000 -0.052 0.000 1.333 471 Q CA 1.472 57.143 55.803 -0.219 0.000 0.883 471 Q CB -1.472 27.107 28.738 -0.266 0.000 1.170 471 Q HN 1.473 nan 8.270 nan 0.000 0.443 472 G N -2.194 106.523 108.800 -0.139 0.000 2.176 472 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.253 472 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.253 472 G C -0.366 174.145 174.900 -0.650 0.000 0.979 472 G CA 0.415 45.278 45.100 -0.397 0.000 0.641 472 G HN 0.392 nan 8.290 nan 0.000 0.530 473 Y N -1.336 118.961 120.300 -0.005 0.000 2.605 473 Y HA 0.663 5.213 4.550 -0.000 0.000 0.343 473 Y C 0.231 176.028 175.900 -0.171 0.000 1.036 473 Y CA -1.169 56.805 58.100 -0.210 0.000 1.065 473 Y CB 2.084 40.200 38.460 -0.575 0.000 1.288 473 Y HN 0.098 nan 8.280 nan 0.000 0.481 474 V N 1.443 121.292 119.914 -0.109 0.000 2.435 474 V HA 0.345 4.465 4.120 -0.000 0.000 0.290 474 V C -1.207 174.775 176.094 -0.186 0.000 1.030 474 V CA -0.871 61.419 62.300 -0.016 0.000 0.881 474 V CB 0.676 32.502 31.823 0.006 0.000 0.983 474 V HN 0.665 nan 8.190 nan 0.000 0.445 475 W N 2.568 123.889 121.300 0.035 0.000 2.781 475 W HA 0.752 5.412 4.660 -0.000 0.000 0.345 475 W C -0.151 176.492 176.519 0.205 0.000 1.085 475 W CA -0.614 56.780 57.345 0.082 0.000 1.198 475 W CB 1.392 30.835 29.460 -0.028 0.000 1.423 475 W HN 0.460 nan 8.180 nan 0.000 0.532 476 Q N 0.966 121.044 119.800 0.464 0.000 2.372 476 Q HA 0.484 4.824 4.340 -0.000 0.000 0.273 476 Q C -0.430 175.599 176.000 0.048 0.000 1.078 476 Q CA -0.637 55.315 55.803 0.248 0.000 0.806 476 Q CB 2.020 30.817 28.738 0.098 0.000 1.332 476 Q HN 0.539 nan 8.270 nan 0.000 0.435 477 T N 0.617 114.992 114.554 -0.298 0.000 2.884 477 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 477 T C 0.530 174.981 174.700 -0.414 0.000 0.998 477 T CA -0.406 61.273 62.100 -0.701 0.000 1.124 477 T CB 1.094 69.460 68.868 -0.837 0.000 0.931 477 T HN 0.705 nan 8.240 nan 0.000 0.531 478 K N 1.533 121.623 120.400 -0.516 0.000 2.314 478 K HA 0.178 4.498 4.320 -0.000 0.000 0.198 478 K C 0.048 176.659 176.600 0.018 0.000 1.045 478 K CA 0.279 56.441 56.287 -0.208 0.000 0.988 478 K CB 0.215 32.629 32.500 -0.142 0.000 0.783 478 K HN 0.860 nan 8.250 nan 0.000 0.484 479 W N -1.111 120.102 121.300 -0.145 0.000 3.098 479 W HA 0.624 5.284 4.660 0.000 0.000 0.367 479 W C -0.331 176.104 176.519 -0.140 0.000 1.163 479 W CA -1.421 55.860 57.345 -0.106 0.000 1.113 479 W CB -0.100 29.321 29.460 -0.065 0.000 1.501 479 W HN -0.193 nan 8.180 nan 0.000 0.598 480 G N -0.923 107.991 108.800 0.190 0.000 2.488 480 G HA2 0.491 4.451 3.960 -0.000 0.000 0.318 480 G HA3 0.491 4.451 3.960 -0.000 0.000 0.318 480 G C -1.431 173.526 174.900 0.095 0.000 1.188 480 G CA -0.866 44.219 45.100 -0.025 0.000 0.944 480 G HN 0.938 nan 8.290 nan 0.000 0.495 481 Y N -2.086 118.236 120.300 0.036 0.000 3.091 481 Y HA -0.151 4.399 4.550 -0.000 0.000 0.189 481 Y C 0.299 176.226 175.900 0.044 0.000 1.520 481 Y CA -0.332 57.794 58.100 0.044 0.000 1.121 481 Y CB -1.830 36.666 38.460 0.060 0.000 1.411 481 Y HN 0.261 nan 8.280 nan 0.000 0.459 482 I N 0.974 121.579 120.570 0.058 0.000 2.315 482 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 482 I C 1.333 177.570 176.117 0.200 0.000 1.006 482 I CA 0.356 61.667 61.300 0.018 0.000 1.265 482 I CB 1.357 39.154 38.000 -0.339 0.000 1.387 482 I HN 0.445 nan 8.210 nan 0.000 0.475 483 T N 0.207 114.881 114.554 0.199 0.000 3.044 483 T HA 0.126 4.476 4.350 -0.000 0.000 0.260 483 T C 0.744 175.596 174.700 0.253 0.000 1.019 483 T CA -0.281 61.956 62.100 0.228 0.000 0.921 483 T CB 0.045 69.004 68.868 0.152 0.000 1.053 483 T HN 0.542 nan 8.240 nan 0.000 0.533 484 S N 1.224 117.073 115.700 0.247 0.000 2.652 484 S HA 0.801 5.271 4.470 -0.000 0.000 0.270 484 S C 0.262 174.963 174.600 0.169 0.000 1.243 484 S CA -0.708 57.606 58.200 0.191 0.000 0.999 484 S CB 1.113 64.402 63.200 0.147 0.000 0.973 484 S HN 0.617 nan 8.310 nan 0.000 0.544 485 A N 1.308 124.006 122.820 -0.203 0.000 2.286 485 A HA 0.713 5.033 4.320 -0.000 0.000 0.286 485 A C -2.714 174.141 177.584 -1.215 0.000 1.097 485 A CA -2.162 49.284 52.037 -0.984 0.000 0.821 485 A CB -0.529 17.931 19.000 -0.901 0.000 1.076 485 A HN 0.660 nan 8.150 nan 0.000 0.490 486 P HA 0.287 nan 4.420 nan 0.000 0.268 486 P C 1.018 177.512 177.300 -1.343 0.000 1.204 486 P CA 1.905 63.658 63.100 -2.246 0.000 0.768 486 P CB 0.804 30.711 31.700 -2.989 0.000 0.842 487 G N 2.170 110.421 108.800 -0.914 0.000 2.268 487 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.240 487 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.240 487 G C 1.153 175.942 174.900 -0.185 0.000 1.010 487 G CA 0.473 45.329 45.100 -0.406 0.000 0.618 487 G HN 0.485 nan 8.290 nan 0.000 0.516 488 S N 0.077 115.650 115.700 -0.211 0.000 2.540 488 S HA 0.402 4.872 4.470 -0.000 0.000 0.218 488 S C 0.046 174.639 174.600 -0.012 0.000 0.977 488 S CA 0.612 58.761 58.200 -0.086 0.000 0.918 488 S CB 0.555 63.696 63.200 -0.099 0.000 0.806 488 S HN 0.616 nan 8.310 nan 0.000 0.496 489 D N -0.191 120.217 120.400 0.014 0.000 2.756 489 D HA 0.310 4.950 4.640 -0.000 0.000 0.226 489 D C 0.525 176.884 176.300 0.099 0.000 1.186 489 D CA -0.344 53.708 54.000 0.087 0.000 0.845 489 D CB 1.740 42.617 40.800 0.128 0.000 1.610 489 D HN -0.042 nan 8.370 nan 0.000 0.465 490 S N 1.134 116.906 115.700 0.120 0.000 2.607 490 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 490 S C 1.471 176.054 174.600 -0.028 0.000 0.969 490 S CA 0.509 58.791 58.200 0.136 0.000 0.927 490 S CB -0.024 63.312 63.200 0.227 0.000 0.772 490 S HN 0.431 nan 8.310 nan 0.000 0.533 491 A N 0.004 122.652 122.820 -0.287 0.000 2.208 491 A HA 0.314 4.634 4.320 -0.000 0.000 0.209 491 A C 0.147 177.248 177.584 -0.804 0.000 1.161 491 A CA -0.272 51.124 52.037 -1.069 0.000 0.782 491 A CB -0.348 17.928 19.000 -1.207 0.000 0.816 491 A HN 0.690 nan 8.150 nan 0.000 0.477 492 W N -1.274 119.842 121.300 -0.306 0.000 2.606 492 W HA 0.601 5.261 4.660 -0.000 0.000 0.332 492 W C -0.580 175.979 176.519 0.067 0.000 1.052 492 W CA -0.883 56.382 57.345 -0.133 0.000 1.223 492 W CB 1.305 30.662 29.460 -0.171 0.000 1.383 492 W HN 0.032 nan 8.180 nan 0.000 0.524 493 L N 3.677 125.111 121.223 0.350 0.000 2.333 493 L HA 0.461 4.801 4.340 -0.000 0.000 0.280 493 L C -0.150 176.789 176.870 0.114 0.000 1.004 493 L CA -1.135 53.816 54.840 0.184 0.000 0.820 493 L CB 1.201 43.298 42.059 0.063 0.000 1.247 493 L HN 0.351 nan 8.230 nan 0.000 0.416 494 K N 3.813 124.091 120.400 -0.204 0.000 2.349 494 K HA 0.321 4.641 4.320 -0.000 0.000 0.288 494 K C 0.398 176.760 176.600 -0.397 0.000 1.058 494 K CA 0.204 56.073 56.287 -0.698 0.000 0.953 494 K CB 0.688 32.525 32.500 -1.104 0.000 0.997 494 K HN 0.676 nan 8.250 nan 0.000 0.477 495 V N 0.599 120.333 119.914 -0.300 0.000 3.502 495 V HA 0.463 4.583 4.120 -0.000 0.000 0.288 495 V C 0.408 176.416 176.094 -0.144 0.000 1.461 495 V CA 0.331 62.526 62.300 -0.174 0.000 1.029 495 V CB 0.402 32.177 31.823 -0.080 0.000 0.843 495 V HN 0.731 nan 8.190 nan 0.000 0.438 496 G N 0.856 109.562 108.800 -0.158 0.000 2.608 496 G HA2 0.676 4.636 3.960 -0.000 0.000 0.291 496 G HA3 0.676 4.636 3.960 -0.000 0.000 0.291 496 G C -1.286 173.590 174.900 -0.040 0.000 1.425 496 G CA -0.712 44.337 45.100 -0.085 0.000 0.787 496 G HN 0.614 nan 8.290 nan 0.000 0.484 497 R N -1.259 119.218 120.500 -0.039 0.000 2.930 497 R HA 0.906 5.246 4.340 -0.000 0.000 0.257 497 R C -0.491 175.733 176.300 -0.126 0.000 1.107 497 R CA -0.644 55.401 56.100 -0.093 0.000 0.999 497 R CB 1.610 31.852 30.300 -0.096 0.000 1.209 497 R HN 1.403 nan 8.270 nan 0.000 0.486 498 V N 0.000 119.791 119.914 -0.206 0.000 2.409 498 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 498 V CA 0.000 62.211 62.300 -0.149 0.000 1.235 498 V CB 0.000 31.769 31.823 -0.090 0.000 1.184 498 V HN 0.000 nan 8.190 nan 0.000 0.556