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 2gl6_1_E DATA FIRST_RESID 47 DATA SEQUENCE LFPPSADYPD LRKHNNCMAE CLTPAIYAKL RNKVTPNGYT LDQCIQTGVD DATA SEQUENCE NPGHPFIKTV GMVAGDEESY EVFADLFDPV IKLRHNGYDP RVMKHTTDLD DATA SEQUENCE ASKITQGQFD EHYVLSSRVR TGRSIRGLSL PPACTRAERR EVENVAITAL DATA SEQUENCE EGLKGDLAGR YYKLSEMTEQ DQQRLIDDHF LFDKPVSPLL TCAGMARDWP DATA SEQUENCE DARGIWHNYD KTFLIWINEE DHTRVISMEK GGNMKRVFER FCRGLKEVER DATA SEQUENCE LIQERGWEFM WNERLGYILT CPSNLGTGLR AGVHVRIPKL SKDPRFSKIL DATA SEQUENCE ENLRLQKRGT GGVDTAAVAD VYDISNIDRI GRSEVELVQI VIDGVNYLVD DATA SEQUENCE CEKKLERGQD IKVPPPL 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 47 L HA 0.000 nan 4.340 nan 0.000 0.249 47 L C 0.000 176.731 176.870 -0.232 0.000 1.165 47 L CA 0.000 54.804 54.840 -0.061 0.000 0.813 47 L CB 0.000 42.076 42.059 0.028 0.000 0.961 48 F N 1.613 121.578 119.950 0.025 0.000 2.509 48 F HA 0.686 5.216 4.527 0.004 0.000 0.334 48 F C -1.756 174.066 175.800 0.036 0.000 1.060 48 F CA -2.062 55.955 58.000 0.029 0.000 0.997 48 F CB -0.000 39.019 39.000 0.032 0.000 1.271 48 F HN -0.145 nan 8.300 nan 0.000 0.488 49 P HA 0.090 nan 4.420 nan 0.000 0.268 49 P C -2.168 175.240 177.300 0.179 0.000 1.205 49 P CA -0.815 62.375 63.100 0.151 0.000 0.771 49 P CB 0.187 31.959 31.700 0.120 0.000 0.858 50 P HA -0.222 nan 4.420 nan 0.000 0.217 50 P C 1.234 178.718 177.300 0.307 0.000 1.158 50 P CA 1.805 65.024 63.100 0.199 0.000 0.887 50 P CB -0.207 31.572 31.700 0.132 0.000 0.792 51 S N -0.942 114.887 115.700 0.214 0.000 2.474 51 S HA -0.067 4.405 4.470 0.003 0.000 0.235 51 S C 1.947 176.614 174.600 0.111 0.000 0.997 51 S CA 1.014 59.311 58.200 0.163 0.000 0.949 51 S CB -0.851 62.381 63.200 0.054 0.000 0.766 51 S HN 0.186 nan 8.310 nan 0.000 0.517 52 A N 1.413 124.301 122.820 0.114 0.000 2.067 52 A HA -0.091 4.231 4.320 0.003 0.000 0.219 52 A C 1.580 179.152 177.584 -0.019 0.000 1.158 52 A CA 1.134 53.198 52.037 0.045 0.000 0.661 52 A CB -0.184 18.865 19.000 0.082 0.000 0.801 52 A HN 0.315 nan 8.150 nan 0.000 0.452 53 D N -2.206 118.227 120.400 0.055 0.000 2.349 53 D HA 0.077 4.718 4.640 0.003 0.000 0.214 53 D C -0.370 175.799 176.300 -0.218 0.000 1.063 53 D CA -0.162 53.838 54.000 0.001 0.000 0.847 53 D CB -0.046 40.869 40.800 0.191 0.000 0.933 53 D HN 0.496 nan 8.370 nan 0.000 0.513 54 Y N 3.703 123.748 120.300 -0.425 0.000 2.632 54 Y HA 0.067 4.619 4.550 0.003 0.000 0.329 54 Y C -1.808 173.772 175.900 -0.534 0.000 1.174 54 Y CA -1.491 56.135 58.100 -0.791 0.000 1.469 54 Y CB 0.421 38.604 38.460 -0.461 0.000 1.242 54 Y HN -0.043 nan 8.280 nan 0.000 0.540 55 P HA 0.022 nan 4.420 nan 0.000 0.272 55 P C -1.108 175.880 177.300 -0.521 0.000 1.223 55 P CA -0.258 62.442 63.100 -0.666 0.000 0.784 55 P CB 0.843 32.149 31.700 -0.657 0.000 0.923 56 D N 1.961 122.169 120.400 -0.320 0.000 2.411 56 D HA 0.144 4.785 4.640 0.003 0.000 0.225 56 D C 0.172 176.264 176.300 -0.347 0.000 1.156 56 D CA -0.144 53.730 54.000 -0.210 0.000 0.874 56 D CB -0.239 40.496 40.800 -0.108 0.000 1.034 56 D HN 0.232 nan 8.370 nan 0.000 0.502 57 L N 3.716 124.731 121.223 -0.347 0.000 3.017 57 L HA 0.292 4.633 4.340 0.003 0.000 0.255 57 L C 0.858 177.669 176.870 -0.098 0.000 1.247 57 L CA -0.421 54.101 54.840 -0.530 0.000 1.038 57 L CB 0.054 41.858 42.059 -0.424 0.000 1.380 57 L HN 0.067 nan 8.230 nan 0.000 0.548 58 R N 1.057 121.576 120.500 0.031 0.000 2.537 58 R HA 0.069 4.411 4.340 0.003 0.000 0.280 58 R C 0.408 176.843 176.300 0.225 0.000 1.058 58 R CA -0.038 56.126 56.100 0.106 0.000 1.057 58 R CB 0.164 30.500 30.300 0.059 0.000 0.973 58 R HN 0.099 nan 8.270 nan 0.000 0.438 59 K N 0.816 121.291 120.400 0.125 0.000 3.160 59 K HA -0.216 4.106 4.320 0.003 0.000 0.280 59 K C -0.986 175.619 176.600 0.008 0.000 1.154 59 K CA 0.898 57.215 56.287 0.052 0.000 0.822 59 K CB -1.263 31.235 32.500 -0.003 0.000 1.239 59 K HN 0.611 nan 8.250 nan 0.000 0.489 60 H N 0.364 119.418 119.070 -0.027 0.000 2.597 60 H HA 0.252 4.810 4.556 0.003 0.000 0.303 60 H C -0.044 175.272 175.328 -0.020 0.000 1.057 60 H CA -0.817 55.214 56.048 -0.029 0.000 1.261 60 H CB 0.965 30.701 29.762 -0.043 0.000 1.397 60 H HN 0.088 nan 8.280 nan 0.000 0.461 61 N N 3.347 122.073 118.700 0.043 0.000 3.105 61 N HA 0.070 4.812 4.740 0.003 0.000 0.256 61 N C -1.298 174.232 175.510 0.033 0.000 1.174 61 N CA -0.659 52.410 53.050 0.030 0.000 1.030 61 N CB -0.223 38.267 38.487 0.005 0.000 1.305 61 N HN 0.747 nan 8.380 nan 0.000 0.509 62 N N -0.719 118.010 118.700 0.047 0.000 2.416 62 N HA 0.277 5.019 4.740 0.003 0.000 0.276 62 N C 0.207 175.734 175.510 0.029 0.000 1.261 62 N CA -0.831 52.240 53.050 0.036 0.000 0.790 62 N CB 0.532 39.045 38.487 0.043 0.000 1.554 62 N HN -0.060 nan 8.380 nan 0.000 0.481 63 C N -0.437 118.877 119.300 0.024 0.000 2.413 63 C HA -0.074 4.388 4.460 0.003 0.000 0.277 63 C C 2.551 177.552 174.990 0.019 0.000 1.265 63 C CA 0.494 59.528 59.018 0.026 0.000 1.752 63 C CB -1.057 26.705 27.740 0.036 0.000 1.998 63 C HN 0.783 nan 8.230 nan 0.000 0.489 64 M N 1.891 121.494 119.600 0.005 0.000 2.065 64 M HA -0.134 4.348 4.480 0.003 0.000 0.259 64 M C 2.385 178.665 176.300 -0.033 0.000 1.069 64 M CA 2.550 57.832 55.300 -0.031 0.000 1.110 64 M CB -1.055 31.510 32.600 -0.059 0.000 1.328 64 M HN 0.339 nan 8.290 nan 0.000 0.405 65 A N -0.148 122.658 122.820 -0.024 0.000 1.972 65 A HA -0.181 4.141 4.320 0.003 0.000 0.219 65 A C 1.868 179.450 177.584 -0.003 0.000 1.169 65 A CA 1.843 53.859 52.037 -0.035 0.000 0.635 65 A CB -0.733 18.273 19.000 0.010 0.000 0.810 65 A HN 0.734 nan 8.150 nan 0.000 0.446 66 E N -1.517 118.691 120.200 0.014 0.000 2.285 66 E HA -0.068 4.284 4.350 0.003 0.000 0.194 66 E C 1.420 178.036 176.600 0.027 0.000 0.997 66 E CA 0.878 57.292 56.400 0.023 0.000 0.845 66 E CB -0.101 29.614 29.700 0.025 0.000 0.782 66 E HN 0.678 nan 8.360 nan 0.000 0.491 67 C N 0.175 119.489 119.300 0.024 0.000 2.865 67 C HA 0.254 4.716 4.460 0.003 0.000 0.280 67 C C 0.717 175.732 174.990 0.041 0.000 1.255 67 C CA -0.812 58.226 59.018 0.033 0.000 1.705 67 C CB -0.405 27.356 27.740 0.036 0.000 2.080 67 C HN 0.265 nan 8.230 nan 0.000 0.591 68 L N 2.855 124.098 121.223 0.033 0.000 2.380 68 L HA 0.415 4.757 4.340 0.003 0.000 0.273 68 L C 0.534 177.491 176.870 0.146 0.000 1.138 68 L CA 1.224 56.105 54.840 0.069 0.000 0.832 68 L CB 0.682 42.739 42.059 -0.004 0.000 1.124 68 L HN 0.388 nan 8.230 nan 0.000 0.454 69 T N 1.408 116.081 114.554 0.199 0.000 2.916 69 T HA 0.549 4.901 4.350 0.003 0.000 0.292 69 T C -2.172 172.676 174.700 0.246 0.000 1.055 69 T CA -1.760 60.447 62.100 0.179 0.000 1.009 69 T CB 1.612 70.532 68.868 0.086 0.000 1.118 69 T HN 0.355 nan 8.240 nan 0.000 0.497 70 P HA -0.092 nan 4.420 nan 0.000 0.216 70 P C 1.632 178.956 177.300 0.040 0.000 1.153 70 P CA 1.777 64.737 63.100 -0.232 0.000 0.858 70 P CB -0.224 31.244 31.700 -0.387 0.000 0.789 71 A N -0.941 121.901 122.820 0.036 0.000 1.873 71 A HA -0.161 4.161 4.320 0.003 0.000 0.215 71 A C 2.230 179.866 177.584 0.087 0.000 1.186 71 A CA 1.402 53.469 52.037 0.050 0.000 0.616 71 A CB -1.568 17.450 19.000 0.029 0.000 0.823 71 A HN 0.100 nan 8.150 nan 0.000 0.442 72 I N -2.101 118.536 120.570 0.112 0.000 2.179 72 I HA -0.274 3.898 4.170 0.003 0.000 0.242 72 I C 2.463 178.659 176.117 0.132 0.000 1.088 72 I CA 1.797 63.165 61.300 0.113 0.000 1.357 72 I CB -0.393 37.674 38.000 0.112 0.000 1.051 72 I HN 0.521 nan 8.210 nan 0.000 0.409 73 Y N 1.487 121.859 120.300 0.120 0.000 2.145 73 Y HA -0.306 4.246 4.550 0.003 0.000 0.286 73 Y C 2.539 178.499 175.900 0.100 0.000 1.145 73 Y CA 1.661 59.838 58.100 0.129 0.000 1.148 73 Y CB -0.378 38.266 38.460 0.306 0.000 0.981 73 Y HN 0.128 nan 8.280 nan 0.000 0.507 74 A N 0.109 123.046 122.820 0.194 0.000 1.933 74 A HA -0.221 4.101 4.320 0.003 0.000 0.218 74 A C 2.291 179.881 177.584 0.011 0.000 1.175 74 A CA 1.906 54.005 52.037 0.102 0.000 0.628 74 A CB -0.734 18.330 19.000 0.107 0.000 0.814 74 A HN 0.514 nan 8.150 nan 0.000 0.444 75 K N -0.502 119.910 120.400 0.019 0.000 2.097 75 K HA 0.007 4.329 4.320 0.003 0.000 0.205 75 K C 1.493 178.093 176.600 0.001 0.000 1.050 75 K CA 1.286 57.582 56.287 0.015 0.000 0.938 75 K CB -0.174 32.344 32.500 0.031 0.000 0.718 75 K HN 0.514 nan 8.250 nan 0.000 0.442 76 L N -0.250 120.957 121.223 -0.026 0.000 2.590 76 L HA 0.130 4.472 4.340 0.003 0.000 0.227 76 L C 2.401 179.243 176.870 -0.047 0.000 1.099 76 L CA -0.096 54.768 54.840 0.039 0.000 0.872 76 L CB -0.176 41.964 42.059 0.135 0.000 1.088 76 L HN 0.130 nan 8.230 nan 0.000 0.479 77 R N 1.177 121.513 120.500 -0.274 0.000 2.103 77 R HA -0.161 4.181 4.340 0.003 0.000 0.242 77 R C 1.342 177.574 176.300 -0.114 0.000 1.142 77 R CA 1.621 57.496 56.100 -0.374 0.000 0.960 77 R CB 0.030 30.058 30.300 -0.452 0.000 0.858 77 R HN 0.410 nan 8.270 nan 0.000 0.439 78 N N 0.503 119.181 118.700 -0.036 0.000 2.353 78 N HA -0.020 4.722 4.740 0.003 0.000 0.185 78 N C -0.411 175.128 175.510 0.049 0.000 1.098 78 N CA 0.427 53.484 53.050 0.013 0.000 0.872 78 N CB 0.299 38.795 38.487 0.014 0.000 0.970 78 N HN 0.025 nan 8.380 nan 0.000 0.467 79 K N 1.418 121.873 120.400 0.091 0.000 2.298 79 K HA 0.251 4.573 4.320 0.003 0.000 0.280 79 K C 0.369 177.082 176.600 0.189 0.000 1.032 79 K CA -0.303 56.036 56.287 0.087 0.000 0.958 79 K CB 1.365 33.877 32.500 0.020 0.000 0.978 79 K HN -0.113 nan 8.250 nan 0.000 0.472 80 V N -1.831 118.134 119.914 0.085 0.000 3.040 80 V HA 0.608 4.730 4.120 0.003 0.000 0.312 80 V C 0.231 176.348 176.094 0.039 0.000 1.115 80 V CA -1.096 61.295 62.300 0.152 0.000 0.998 80 V CB 1.577 33.466 31.823 0.110 0.000 1.042 80 V HN 0.848 nan 8.190 nan 0.000 0.433 81 T N -0.823 113.802 114.554 0.117 0.000 2.847 81 T HA 0.502 4.854 4.350 0.003 0.000 0.279 81 T C -1.651 173.092 174.700 0.072 0.000 0.984 81 T CA -1.404 60.734 62.100 0.063 0.000 0.988 81 T CB 1.042 70.001 68.868 0.151 0.000 1.040 81 T HN 0.571 nan 8.240 nan 0.000 0.528 82 P HA -0.064 nan 4.420 nan 0.000 0.217 82 P C 1.470 178.812 177.300 0.070 0.000 1.148 82 P CA 1.810 64.939 63.100 0.049 0.000 0.834 82 P CB -0.468 31.256 31.700 0.040 0.000 0.783 83 N N -1.465 117.293 118.700 0.095 0.000 2.398 83 N HA 0.235 4.977 4.740 0.003 0.000 0.188 83 N C 1.306 176.899 175.510 0.139 0.000 1.122 83 N CA 0.683 53.799 53.050 0.110 0.000 0.866 83 N CB -0.887 37.668 38.487 0.114 0.000 0.970 83 N HN 0.255 nan 8.380 nan 0.000 0.462 84 G N -1.369 107.517 108.800 0.145 0.000 2.136 84 G HA2 -0.252 3.710 3.960 0.003 0.000 0.242 84 G HA3 -0.252 3.710 3.960 0.003 0.000 0.242 84 G C -0.053 174.965 174.900 0.196 0.000 0.989 84 G CA 0.203 45.388 45.100 0.141 0.000 0.682 84 G HN 0.790 nan 8.290 nan 0.000 0.522 85 Y N 2.424 122.801 120.300 0.128 0.000 2.425 85 Y HA 0.489 5.041 4.550 0.003 0.000 0.331 85 Y C 1.243 177.287 175.900 0.239 0.000 1.157 85 Y CA 0.622 58.815 58.100 0.155 0.000 1.372 85 Y CB 0.879 39.440 38.460 0.168 0.000 1.253 85 Y HN 0.427 nan 8.280 nan 0.000 0.536 86 T N 2.792 117.160 114.554 -0.309 0.000 2.950 86 T HA 0.247 4.598 4.350 0.003 0.000 0.288 86 T C 0.667 174.944 174.700 -0.705 0.000 1.035 86 T CA -0.883 61.077 62.100 -0.234 0.000 1.028 86 T CB 1.385 70.118 68.868 -0.225 0.000 1.109 86 T HN 0.655 nan 8.240 nan 0.000 0.514 87 L N 0.690 121.403 121.223 -0.851 0.000 2.079 87 L HA 0.005 4.347 4.340 0.003 0.000 0.210 87 L C 1.898 178.434 176.870 -0.558 0.000 1.081 87 L CA 2.031 56.251 54.840 -1.033 0.000 0.752 87 L CB -0.978 40.651 42.059 -0.716 0.000 0.896 87 L HN 0.745 nan 8.230 nan 0.000 0.433 88 D N -0.847 119.332 120.400 -0.368 0.000 2.117 88 D HA -0.204 4.438 4.640 0.003 0.000 0.197 88 D C 2.223 178.368 176.300 -0.258 0.000 0.987 88 D CA 1.302 55.172 54.000 -0.216 0.000 0.829 88 D CB -0.077 40.648 40.800 -0.125 0.000 0.961 88 D HN 0.499 nan 8.370 nan 0.000 0.460 89 Q N -0.279 119.284 119.800 -0.395 0.000 2.050 89 Q HA -0.132 4.209 4.340 0.003 0.000 0.202 89 Q C 2.491 178.346 176.000 -0.243 0.000 0.980 89 Q CA 1.166 56.727 55.803 -0.403 0.000 0.840 89 Q CB -0.241 27.986 28.738 -0.851 0.000 0.898 89 Q HN 0.301 nan 8.270 nan 0.000 0.424 90 C N 0.785 119.895 119.300 -0.316 0.000 2.367 90 C HA -0.198 4.264 4.460 0.003 0.000 0.276 90 C C 2.531 177.463 174.990 -0.096 0.000 1.195 90 C CA 1.308 60.288 59.018 -0.063 0.000 1.756 90 C CB -1.100 26.463 27.740 -0.295 0.000 2.046 90 C HN 0.670 nan 8.230 nan 0.000 0.453 91 I N -0.530 119.931 120.570 -0.183 0.000 3.684 91 I HA 0.033 4.205 4.170 0.003 0.000 0.304 91 I C 2.184 178.246 176.117 -0.092 0.000 1.278 91 I CA 0.817 62.032 61.300 -0.143 0.000 1.272 91 I CB -0.647 37.252 38.000 -0.170 0.000 1.029 91 I HN 0.225 nan 8.210 nan 0.000 0.458 92 Q N 1.668 121.421 119.800 -0.077 0.000 2.096 92 Q HA -0.216 4.126 4.340 0.003 0.000 0.204 92 Q C 2.300 178.290 176.000 -0.016 0.000 0.982 92 Q CA 2.884 58.656 55.803 -0.052 0.000 0.850 92 Q CB -0.679 28.034 28.738 -0.042 0.000 0.901 92 Q HN 0.535 nan 8.270 nan 0.000 0.422 93 T N -1.489 113.068 114.554 0.005 0.000 2.788 93 T HA -0.101 4.251 4.350 0.003 0.000 0.268 93 T C 1.472 176.189 174.700 0.029 0.000 1.044 93 T CA 1.509 63.623 62.100 0.024 0.000 1.139 93 T CB -0.576 68.314 68.868 0.038 0.000 0.867 93 T HN 0.546 nan 8.240 nan 0.000 0.454 94 G N -0.059 108.752 108.800 0.018 0.000 2.511 94 G HA2 -0.014 3.948 3.960 0.003 0.000 0.217 94 G HA3 -0.014 3.948 3.960 0.003 0.000 0.217 94 G C 1.629 176.580 174.900 0.085 0.000 1.133 94 G CA 0.674 45.798 45.100 0.040 0.000 0.792 94 G HN 0.485 nan 8.290 nan 0.000 0.539 95 V N 1.345 121.265 119.914 0.010 0.000 2.323 95 V HA -0.090 4.032 4.120 0.003 0.000 0.244 95 V C 2.141 178.323 176.094 0.147 0.000 1.041 95 V CA 1.947 64.240 62.300 -0.010 0.000 1.025 95 V CB -0.195 31.566 31.823 -0.104 0.000 0.656 95 V HN 0.262 nan 8.190 nan 0.000 0.451 96 D N -0.167 120.277 120.400 0.074 0.000 2.349 96 D HA 0.023 4.665 4.640 0.003 0.000 0.215 96 D C 0.481 176.799 176.300 0.029 0.000 1.016 96 D CA 0.414 54.447 54.000 0.054 0.000 0.870 96 D CB -0.077 40.736 40.800 0.021 0.000 0.917 96 D HN 0.418 nan 8.370 nan 0.000 0.524 97 N N 1.609 120.334 118.700 0.041 0.000 2.851 97 N HA 0.118 4.860 4.740 0.003 0.000 0.248 97 N C -1.942 173.546 175.510 -0.037 0.000 1.221 97 N CA -1.093 51.958 53.050 0.002 0.000 0.847 97 N CB 2.229 40.738 38.487 0.037 0.000 1.150 97 N HN -0.042 nan 8.380 nan 0.000 0.507 98 P HA -0.097 nan 4.420 nan 0.000 0.218 98 P C 0.700 177.904 177.300 -0.159 0.000 1.146 98 P CA 1.183 64.011 63.100 -0.454 0.000 0.813 98 P CB 0.721 31.997 31.700 -0.708 0.000 0.778 99 G N -2.495 106.249 108.800 -0.093 0.000 2.706 99 G HA2 0.442 4.404 3.960 0.003 0.000 0.307 99 G HA3 0.442 4.404 3.960 0.003 0.000 0.307 99 G C -2.016 172.914 174.900 0.049 0.000 1.307 99 G CA -0.309 44.776 45.100 -0.025 0.000 0.790 99 G HN 0.154 nan 8.290 nan 0.000 0.503 100 H N -0.411 118.612 119.070 -0.078 0.000 3.038 100 H HA 0.340 4.897 4.556 0.003 0.000 0.362 100 H C -1.957 173.276 175.328 -0.159 0.000 1.167 100 H CA -1.138 54.864 56.048 -0.077 0.000 1.197 100 H CB 2.816 32.570 29.762 -0.014 0.000 1.840 100 H HN 0.231 nan 8.280 nan 0.000 0.540 101 P HA -0.002 nan 4.420 nan 0.000 0.222 101 P C 0.314 177.069 177.300 -0.908 0.000 1.147 101 P CA 1.098 63.674 63.100 -0.873 0.000 0.790 101 P CB 0.161 31.120 31.700 -1.235 0.000 0.780 102 F N -1.710 118.232 119.950 -0.013 0.000 2.699 102 F HA 0.303 4.832 4.527 0.003 0.000 0.295 102 F C 1.206 177.121 175.800 0.192 0.000 1.052 102 F CA -0.558 57.518 58.000 0.127 0.000 1.239 102 F CB 0.067 39.142 39.000 0.126 0.000 1.018 102 F HN -0.238 nan 8.300 nan 0.000 0.627 103 I N -2.016 118.844 120.570 0.484 0.000 3.002 103 I HA 0.497 4.669 4.170 0.003 0.000 0.310 103 I C -0.492 175.695 176.117 0.116 0.000 1.087 103 I CA -1.284 60.137 61.300 0.202 0.000 1.017 103 I CB 2.132 40.184 38.000 0.087 0.000 1.226 103 I HN -0.211 nan 8.210 nan 0.000 0.443 104 K N 2.491 122.917 120.400 0.043 0.000 2.297 104 K HA 0.349 4.671 4.320 0.003 0.000 0.286 104 K C -0.200 176.392 176.600 -0.014 0.000 1.053 104 K CA -0.232 56.066 56.287 0.018 0.000 0.940 104 K CB 0.763 33.265 32.500 0.003 0.000 1.019 104 K HN 0.874 nan 8.250 nan 0.000 0.475 105 T N -0.259 114.289 114.554 -0.009 0.000 2.934 105 T HA 0.199 4.551 4.350 0.003 0.000 0.283 105 T C 1.165 175.866 174.700 0.001 0.000 1.005 105 T CA -1.054 61.030 62.100 -0.027 0.000 1.041 105 T CB 1.595 70.444 68.868 -0.032 0.000 1.042 105 T HN 0.252 nan 8.240 nan 0.000 0.505 106 V N 1.281 121.202 119.914 0.013 0.000 2.407 106 V HA 0.240 4.362 4.120 0.003 0.000 0.245 106 V C 2.320 178.438 176.094 0.039 0.000 1.041 106 V CA 1.459 63.784 62.300 0.041 0.000 1.040 106 V CB -1.446 30.427 31.823 0.083 0.000 0.671 106 V HN 1.415 nan 8.190 nan 0.000 0.455 107 G N 0.918 109.739 108.800 0.035 0.000 2.147 107 G HA2 -0.276 3.686 3.960 0.003 0.000 0.244 107 G HA3 -0.276 3.686 3.960 0.003 0.000 0.244 107 G C 0.029 174.933 174.900 0.007 0.000 1.005 107 G CA 0.613 45.728 45.100 0.025 0.000 0.713 107 G HN 0.786 nan 8.290 nan 0.000 0.515 108 M N -2.044 117.577 119.600 0.035 0.000 2.562 108 M HA 0.735 5.217 4.480 0.003 0.000 0.281 108 M C -0.717 175.670 176.300 0.144 0.000 1.195 108 M CA -0.919 54.394 55.300 0.021 0.000 0.888 108 M CB 2.355 34.878 32.600 -0.128 0.000 1.731 108 M HN 1.017 nan 8.290 nan 0.000 0.493 109 V N -0.640 119.381 119.914 0.178 0.000 3.102 109 V HA 1.055 5.177 4.120 0.003 0.000 0.312 109 V C -0.586 175.680 176.094 0.287 0.000 1.135 109 V CA -0.416 62.018 62.300 0.223 0.000 1.022 109 V CB 1.465 33.373 31.823 0.141 0.000 1.056 109 V HN 1.253 nan 8.190 nan 0.000 0.436 110 A N 1.192 124.048 122.820 0.059 0.000 2.290 110 A HA 0.760 5.082 4.320 0.003 0.000 0.310 110 A C 1.062 178.455 177.584 -0.320 0.000 1.202 110 A CA 0.061 51.991 52.037 -0.179 0.000 0.837 110 A CB 1.057 19.604 19.000 -0.756 0.000 1.139 110 A HN 1.773 nan 8.150 nan 0.000 0.509 111 G N 1.147 109.464 108.800 -0.805 0.000 2.603 111 G HA2 0.322 4.284 3.960 0.003 0.000 0.214 111 G HA3 0.322 4.284 3.960 0.003 0.000 0.214 111 G C 0.093 174.675 174.900 -0.531 0.000 1.140 111 G CA 0.992 45.322 45.100 -1.283 0.000 0.800 111 G HN 0.858 nan 8.290 nan 0.000 0.533 112 D N -2.656 117.566 120.400 -0.297 0.000 2.677 112 D HA 0.184 4.826 4.640 0.003 0.000 0.298 112 D C 0.719 177.007 176.300 -0.020 0.000 1.250 112 D CA -0.725 53.223 54.000 -0.087 0.000 0.888 112 D CB 0.619 41.412 40.800 -0.011 0.000 1.397 112 D HN -0.066 nan 8.370 nan 0.000 0.461 113 E N -0.587 119.644 120.200 0.052 0.000 2.110 113 E HA -0.229 4.122 4.350 0.003 0.000 0.193 113 E C 0.938 177.595 176.600 0.095 0.000 0.988 113 E CA 1.412 57.874 56.400 0.104 0.000 0.804 113 E CB 0.106 29.863 29.700 0.095 0.000 0.745 113 E HN 0.457 nan 8.360 nan 0.000 0.458 114 E N 0.028 120.262 120.200 0.057 0.000 2.204 114 E HA -0.085 4.267 4.350 0.003 0.000 0.194 114 E C 2.028 178.639 176.600 0.019 0.000 0.989 114 E CA 0.907 57.327 56.400 0.032 0.000 0.824 114 E CB -0.022 29.691 29.700 0.021 0.000 0.756 114 E HN 0.089 nan 8.360 nan 0.000 0.477 115 S N 0.151 115.888 115.700 0.061 0.000 2.380 115 S HA -0.211 4.261 4.470 0.003 0.000 0.229 115 S C 1.475 176.167 174.600 0.153 0.000 1.043 115 S CA 1.216 59.549 58.200 0.222 0.000 1.038 115 S CB -0.407 62.932 63.200 0.233 0.000 0.872 115 S HN 0.345 nan 8.310 nan 0.000 0.456 116 Y N 1.377 121.631 120.300 -0.078 0.000 2.274 116 Y HA -0.073 4.479 4.550 0.003 0.000 0.290 116 Y C 2.512 178.421 175.900 0.016 0.000 1.145 116 Y CA 1.158 59.118 58.100 -0.232 0.000 1.203 116 Y CB -0.229 38.015 38.460 -0.360 0.000 0.984 116 Y HN 0.366 nan 8.280 nan 0.000 0.533 117 E N -0.431 119.837 120.200 0.115 0.000 2.057 117 E HA -0.099 4.253 4.350 0.003 0.000 0.190 117 E C 2.147 178.731 176.600 -0.026 0.000 0.969 117 E CA 0.981 57.407 56.400 0.045 0.000 0.812 117 E CB -0.071 29.630 29.700 0.002 0.000 0.777 117 E HN 0.159 nan 8.360 nan 0.000 0.455 118 V N 0.620 120.427 119.914 -0.178 0.000 2.490 118 V HA -0.194 3.928 4.120 0.003 0.000 0.250 118 V C 1.035 176.809 176.094 -0.532 0.000 1.061 118 V CA 1.415 63.431 62.300 -0.473 0.000 1.064 118 V CB -0.386 30.951 31.823 -0.810 0.000 0.670 118 V HN 0.261 nan 8.190 nan 0.000 0.461 119 F N -0.457 119.606 119.950 0.188 0.000 2.855 119 F HA 0.601 5.129 4.527 0.002 0.000 0.317 119 F C 1.589 177.539 175.800 0.250 0.000 1.169 119 F CA -0.198 57.902 58.000 0.166 0.000 1.299 119 F CB -0.701 38.369 39.000 0.116 0.000 0.962 119 F HN -0.021 nan 8.300 nan 0.000 0.506 120 A N -0.190 122.821 122.820 0.317 0.000 1.978 120 A HA -0.192 4.130 4.320 0.003 0.000 0.220 120 A C 1.914 179.635 177.584 0.229 0.000 1.170 120 A CA 2.001 54.216 52.037 0.296 0.000 0.636 120 A CB -0.407 18.693 19.000 0.166 0.000 0.810 120 A HN 0.254 nan 8.150 nan 0.000 0.448 121 D N -1.108 119.392 120.400 0.167 0.000 2.310 121 D HA -0.039 4.603 4.640 0.003 0.000 0.212 121 D C 1.548 177.912 176.300 0.107 0.000 0.965 121 D CA 0.756 54.827 54.000 0.118 0.000 0.879 121 D CB 0.054 40.908 40.800 0.091 0.000 0.921 121 D HN 0.421 nan 8.370 nan 0.000 0.510 122 L N -1.349 119.935 121.223 0.103 0.000 2.349 122 L HA 0.185 4.527 4.340 0.003 0.000 0.200 122 L C 1.624 178.516 176.870 0.037 0.000 1.064 122 L CA 0.786 55.635 54.840 0.015 0.000 0.821 122 L CB -0.444 41.553 42.059 -0.104 0.000 1.027 122 L HN -0.204 nan 8.230 nan 0.000 0.476 123 F N 0.994 121.038 119.950 0.157 0.000 2.126 123 F HA -0.221 4.307 4.527 0.003 0.000 0.299 123 F C 2.253 178.164 175.800 0.184 0.000 1.096 123 F CA 1.768 59.887 58.000 0.198 0.000 1.255 123 F CB -0.717 38.461 39.000 0.297 0.000 0.997 123 F HN 0.194 nan 8.300 nan 0.000 0.479 124 D N 0.157 120.756 120.400 0.333 0.000 2.084 124 D HA -0.143 4.499 4.640 0.003 0.000 0.194 124 D C -0.358 176.045 176.300 0.171 0.000 0.990 124 D CA 1.708 55.839 54.000 0.219 0.000 0.826 124 D CB -2.002 38.886 40.800 0.147 0.000 0.971 124 D HN 0.203 nan 8.370 nan 0.000 0.453 125 P HA -0.069 nan 4.420 nan 0.000 0.216 125 P C 1.928 179.300 177.300 0.120 0.000 1.153 125 P CA 0.694 63.857 63.100 0.105 0.000 0.848 125 P CB 0.045 31.792 31.700 0.079 0.000 0.787 126 V N 0.344 120.341 119.914 0.138 0.000 2.332 126 V HA -0.234 3.888 4.120 0.003 0.000 0.248 126 V C 2.659 178.874 176.094 0.200 0.000 1.055 126 V CA 1.668 64.055 62.300 0.144 0.000 1.038 126 V CB -1.103 30.804 31.823 0.141 0.000 0.651 126 V HN 0.002 nan 8.190 nan 0.000 0.450 127 I N -0.233 120.502 120.570 0.275 0.000 2.286 127 I HA -0.260 3.912 4.170 0.003 0.000 0.248 127 I C 2.550 178.865 176.117 0.330 0.000 1.115 127 I CA 1.820 63.332 61.300 0.352 0.000 1.392 127 I CB -0.363 37.828 38.000 0.319 0.000 1.065 127 I HN 0.290 nan 8.210 nan 0.000 0.418 128 K N 1.052 121.584 120.400 0.220 0.000 2.025 128 K HA -0.222 4.100 4.320 0.003 0.000 0.207 128 K C 2.218 178.900 176.600 0.137 0.000 1.049 128 K CA 1.385 57.773 56.287 0.168 0.000 0.933 128 K CB -0.141 32.416 32.500 0.095 0.000 0.714 128 K HN 0.090 nan 8.250 nan 0.000 0.438 129 L N 1.492 122.778 121.223 0.106 0.000 2.079 129 L HA -0.127 4.215 4.340 0.003 0.000 0.210 129 L C 2.349 179.239 176.870 0.033 0.000 1.081 129 L CA 1.754 56.633 54.840 0.064 0.000 0.752 129 L CB -0.476 41.615 42.059 0.054 0.000 0.896 129 L HN 0.162 nan 8.230 nan 0.000 0.433 130 R N -1.434 119.078 120.500 0.021 0.000 2.161 130 R HA -0.004 4.338 4.340 0.003 0.000 0.213 130 R C 0.924 177.031 176.300 -0.321 0.000 1.055 130 R CA 1.233 57.243 56.100 -0.151 0.000 0.996 130 R CB -0.237 29.945 30.300 -0.196 0.000 0.901 130 R HN 0.516 nan 8.270 nan 0.000 0.456 131 H N 0.016 119.135 119.070 0.082 0.000 2.481 131 H HA 0.219 4.776 4.556 0.003 0.000 0.273 131 H C -0.378 175.010 175.328 0.101 0.000 1.145 131 H CA -0.293 55.803 56.048 0.081 0.000 0.964 131 H CB -0.106 29.706 29.762 0.082 0.000 1.722 131 H HN 0.145 nan 8.280 nan 0.000 0.573 132 N N 1.136 119.908 118.700 0.122 0.000 2.738 132 N HA -0.217 4.525 4.740 0.003 0.000 0.249 132 N C 1.185 176.765 175.510 0.117 0.000 1.047 132 N CA 1.259 54.366 53.050 0.095 0.000 0.707 132 N CB -1.199 37.336 38.487 0.080 0.000 0.937 132 N HN 0.845 nan 8.380 nan 0.000 0.545 133 G N -1.278 107.595 108.800 0.123 0.000 2.175 133 G HA2 -0.361 3.601 3.960 0.003 0.000 0.244 133 G HA3 -0.361 3.601 3.960 0.003 0.000 0.244 133 G C 0.015 174.978 174.900 0.105 0.000 0.982 133 G CA 0.178 45.334 45.100 0.093 0.000 0.641 133 G HN 0.754 nan 8.290 nan 0.000 0.527 134 Y N 2.268 122.619 120.300 0.085 0.000 2.569 134 Y HA 0.463 5.015 4.550 0.003 0.000 0.332 134 Y C -0.084 175.850 175.900 0.057 0.000 1.120 134 Y CA 0.120 58.259 58.100 0.066 0.000 1.416 134 Y CB 0.806 39.302 38.460 0.060 0.000 1.210 134 Y HN 0.106 nan 8.280 nan 0.000 0.528 135 D N 9.265 129.305 120.400 -0.601 0.000 2.462 135 D HA 0.257 4.899 4.640 0.003 0.000 0.245 135 D C -2.152 173.846 176.300 -0.503 0.000 1.122 135 D CA -2.518 51.276 54.000 -0.344 0.000 0.864 135 D CB 1.808 42.492 40.800 -0.193 0.000 1.098 135 D HN 0.326 nan 8.370 nan 0.000 0.541 136 P HA -0.013 nan 4.420 nan 0.000 0.237 136 P C 1.047 178.298 177.300 -0.081 0.000 1.178 136 P CA 0.315 63.357 63.100 -0.096 0.000 0.766 136 P CB 0.568 32.320 31.700 0.088 0.000 0.876 137 R N 0.199 120.653 120.500 -0.076 0.000 2.092 137 R HA -0.024 4.318 4.340 0.003 0.000 0.231 137 R C 1.948 178.206 176.300 -0.069 0.000 1.119 137 R CA 1.748 57.819 56.100 -0.048 0.000 0.970 137 R CB -0.398 29.888 30.300 -0.024 0.000 0.864 137 R HN 0.219 nan 8.270 nan 0.000 0.440 138 V N -3.740 116.105 119.914 -0.115 0.000 3.502 138 V HA 0.363 4.485 4.120 0.003 0.000 0.288 138 V C 0.411 176.426 176.094 -0.131 0.000 1.461 138 V CA -0.224 62.015 62.300 -0.102 0.000 1.029 138 V CB 0.177 31.949 31.823 -0.084 0.000 0.843 138 V HN -0.029 nan 8.190 nan 0.000 0.438 139 M N 0.797 120.263 119.600 -0.224 0.000 2.664 139 M HA 0.614 5.096 4.480 0.003 0.000 0.314 139 M C -0.714 175.565 176.300 -0.035 0.000 1.200 139 M CA -0.448 54.729 55.300 -0.204 0.000 0.916 139 M CB 2.795 35.092 32.600 -0.505 0.000 1.717 139 M HN -0.025 nan 8.290 nan 0.000 0.470 140 K N 0.023 120.482 120.400 0.099 0.000 2.267 140 K HA 0.484 4.806 4.320 0.003 0.000 0.246 140 K C -1.355 175.405 176.600 0.265 0.000 0.954 140 K CA -0.914 55.465 56.287 0.155 0.000 0.824 140 K CB 1.960 34.503 32.500 0.072 0.000 1.167 140 K HN 0.574 nan 8.250 nan 0.000 0.431 141 H N 0.154 119.282 119.070 0.096 0.000 2.459 141 H HA 0.286 4.844 4.556 0.003 0.000 0.332 141 H C -1.116 174.255 175.328 0.072 0.000 1.094 141 H CA -0.121 55.939 56.048 0.020 0.000 1.224 141 H CB 1.245 30.910 29.762 -0.162 0.000 1.449 141 H HN 0.357 nan 8.280 nan 0.000 0.484 142 T N 4.887 119.069 114.554 -0.619 0.000 2.795 142 T HA 0.244 4.595 4.350 0.003 0.000 0.282 142 T C -0.252 174.154 174.700 -0.489 0.000 0.980 142 T CA -0.627 61.257 62.100 -0.361 0.000 1.012 142 T CB 0.918 69.690 68.868 -0.160 0.000 0.936 142 T HN 0.651 nan 8.240 nan 0.000 0.457 143 T N 3.239 117.729 114.554 -0.107 0.000 2.845 143 T HA 0.415 4.767 4.350 0.003 0.000 0.288 143 T C -0.462 174.273 174.700 0.058 0.000 0.980 143 T CA -0.440 61.708 62.100 0.081 0.000 1.071 143 T CB 0.653 69.653 68.868 0.220 0.000 0.941 143 T HN 0.532 nan 8.240 nan 0.000 0.487 144 D N 2.879 123.342 120.400 0.105 0.000 2.323 144 D HA 0.204 4.846 4.640 0.003 0.000 0.242 144 D C -0.293 176.108 176.300 0.168 0.000 1.347 144 D CA -0.425 53.636 54.000 0.102 0.000 0.988 144 D CB 0.589 41.438 40.800 0.082 0.000 1.314 144 D HN 0.351 nan 8.370 nan 0.000 0.564 145 L N 2.216 123.510 121.223 0.117 0.000 2.912 145 L HA 0.261 4.603 4.340 0.003 0.000 0.240 145 L C 0.441 177.306 176.870 -0.008 0.000 1.262 145 L CA -0.207 54.685 54.840 0.087 0.000 1.058 145 L CB 0.261 42.325 42.059 0.009 0.000 1.383 145 L HN 0.202 nan 8.230 nan 0.000 0.512 146 D N 0.918 121.350 120.400 0.054 0.000 2.453 146 D HA 0.198 4.840 4.640 0.003 0.000 0.223 146 D C 1.188 177.520 176.300 0.052 0.000 1.183 146 D CA 0.014 54.027 54.000 0.021 0.000 0.933 146 D CB 1.496 42.320 40.800 0.039 0.000 1.038 146 D HN 0.238 nan 8.370 nan 0.000 0.513 147 A N 2.538 125.302 122.820 -0.093 0.000 2.024 147 A HA -0.157 4.165 4.320 0.003 0.000 0.220 147 A C 2.259 179.895 177.584 0.086 0.000 1.164 147 A CA 1.127 53.114 52.037 -0.084 0.000 0.643 147 A CB -0.178 18.629 19.000 -0.321 0.000 0.806 147 A HN 0.500 nan 8.150 nan 0.000 0.451 148 S N -0.388 115.333 115.700 0.035 0.000 2.440 148 S HA -0.148 4.324 4.470 0.003 0.000 0.238 148 S C 1.707 176.344 174.600 0.063 0.000 1.010 148 S CA 1.540 59.764 58.200 0.040 0.000 0.972 148 S CB -0.202 63.008 63.200 0.017 0.000 0.774 148 S HN 0.689 nan 8.310 nan 0.000 0.501 149 K N 0.500 120.956 120.400 0.093 0.000 2.432 149 K HA 0.094 4.416 4.320 0.003 0.000 0.196 149 K C -0.084 176.568 176.600 0.086 0.000 1.038 149 K CA 0.430 56.767 56.287 0.083 0.000 0.986 149 K CB 0.125 32.678 32.500 0.089 0.000 0.782 149 K HN 0.267 nan 8.250 nan 0.000 0.485 150 I N 2.957 123.603 120.570 0.126 0.000 2.241 150 I HA -0.015 4.157 4.170 0.003 0.000 0.294 150 I C 1.351 177.504 176.117 0.060 0.000 1.145 150 I CA 0.448 61.804 61.300 0.093 0.000 1.261 150 I CB -0.089 38.008 38.000 0.160 0.000 1.475 150 I HN 0.124 nan 8.210 nan 0.000 0.533 151 T N 2.129 116.703 114.554 0.032 0.000 3.043 151 T HA 0.094 4.446 4.350 0.003 0.000 0.263 151 T C 0.725 175.427 174.700 0.002 0.000 1.094 151 T CA 0.409 62.520 62.100 0.019 0.000 1.127 151 T CB 0.203 69.081 68.868 0.016 0.000 0.905 151 T HN 0.539 nan 8.240 nan 0.000 0.490 152 Q N -0.098 119.695 119.800 -0.010 0.000 2.263 152 Q HA 0.594 4.936 4.340 0.003 0.000 0.266 152 Q C -0.824 175.128 176.000 -0.080 0.000 1.002 152 Q CA -0.821 54.961 55.803 -0.035 0.000 0.790 152 Q CB 2.370 31.095 28.738 -0.022 0.000 1.272 152 Q HN 0.378 nan 8.270 nan 0.000 0.435 153 G N 1.997 110.714 108.800 -0.139 0.000 4.836 153 G HA2 0.186 4.147 3.960 0.003 0.000 0.222 153 G HA3 0.186 4.147 3.960 0.003 0.000 0.222 153 G C -1.230 173.418 174.900 -0.420 0.000 1.332 153 G CA -0.280 44.645 45.100 -0.293 0.000 0.606 153 G HN 0.291 nan 8.290 nan 0.000 0.357 154 Q N 0.801 120.392 119.800 -0.348 0.000 2.333 154 Q HA 0.740 5.081 4.340 0.003 0.000 0.268 154 Q C -1.045 174.810 176.000 -0.241 0.000 1.007 154 Q CA -0.708 54.927 55.803 -0.281 0.000 0.810 154 Q CB 0.931 29.607 28.738 -0.104 0.000 1.264 154 Q HN 0.128 nan 8.270 nan 0.000 0.452 155 F N 0.898 120.869 119.950 0.036 0.000 2.380 155 F HA 0.290 4.819 4.527 0.003 0.000 0.321 155 F C 0.720 176.556 175.800 0.060 0.000 1.103 155 F CA -0.912 57.117 58.000 0.049 0.000 1.067 155 F CB 0.535 39.568 39.000 0.056 0.000 1.265 155 F HN 0.487 nan 8.300 nan 0.000 0.517 156 D N 1.161 121.757 120.400 0.327 0.000 2.363 156 D HA 0.000 4.642 4.640 0.003 0.000 0.263 156 D C 0.491 176.925 176.300 0.222 0.000 1.258 156 D CA 0.334 54.493 54.000 0.265 0.000 0.907 156 D CB 0.388 41.405 40.800 0.362 0.000 1.107 156 D HN 0.575 nan 8.370 nan 0.000 0.495 157 E N 2.108 122.335 120.200 0.045 0.000 2.511 157 E HA -0.091 4.261 4.350 0.003 0.000 0.196 157 E C 0.654 177.162 176.600 -0.154 0.000 1.066 157 E CA 0.196 56.574 56.400 -0.036 0.000 0.871 157 E CB 0.118 29.773 29.700 -0.074 0.000 0.863 157 E HN 0.645 nan 8.360 nan 0.000 0.520 158 H N -1.699 117.359 119.070 -0.020 0.000 2.502 158 H HA -0.029 4.529 4.556 0.003 0.000 0.283 158 H C 0.786 175.815 175.328 -0.499 0.000 1.015 158 H CA 1.040 56.933 56.048 -0.259 0.000 1.298 158 H CB 0.296 29.844 29.762 -0.356 0.000 1.411 158 H HN 0.211 nan 8.280 nan 0.000 0.556 159 Y N -1.033 119.336 120.300 0.114 0.000 2.594 159 Y HA 0.180 4.732 4.550 0.003 0.000 0.283 159 Y C 0.705 176.622 175.900 0.029 0.000 1.140 159 Y CA -0.180 57.952 58.100 0.054 0.000 1.261 159 Y CB 0.631 39.108 38.460 0.028 0.000 1.358 159 Y HN -0.180 nan 8.280 nan 0.000 0.513 160 V N 3.185 123.208 119.914 0.181 0.000 2.408 160 V HA 0.035 4.157 4.120 0.003 0.000 0.267 160 V C 0.732 176.885 176.094 0.099 0.000 1.047 160 V CA 0.160 62.528 62.300 0.113 0.000 0.937 160 V CB 0.876 32.773 31.823 0.124 0.000 0.999 160 V HN 0.371 nan 8.190 nan 0.000 0.472 161 L N 3.641 124.918 121.223 0.090 0.000 2.298 161 L HA 0.204 4.546 4.340 0.003 0.000 0.209 161 L C 0.876 177.785 176.870 0.065 0.000 1.084 161 L CA 0.590 55.474 54.840 0.073 0.000 0.816 161 L CB 0.227 42.337 42.059 0.086 0.000 0.967 161 L HN 0.811 nan 8.230 nan 0.000 0.460 162 S N -1.871 113.866 115.700 0.061 0.000 2.565 162 S HA 0.584 5.056 4.470 0.003 0.000 0.269 162 S C -0.776 173.838 174.600 0.023 0.000 1.153 162 S CA -0.730 57.476 58.200 0.009 0.000 0.835 162 S CB 2.336 65.471 63.200 -0.109 0.000 1.122 162 S HN -0.059 nan 8.310 nan 0.000 0.462 163 S N 0.782 116.507 115.700 0.042 0.000 2.521 163 S HA 0.827 5.299 4.470 0.003 0.000 0.295 163 S C -0.757 173.861 174.600 0.031 0.000 1.098 163 S CA -0.848 57.401 58.200 0.082 0.000 0.999 163 S CB 1.573 64.867 63.200 0.157 0.000 1.034 163 S HN 0.835 nan 8.310 nan 0.000 0.483 164 R N 1.696 122.201 120.500 0.008 0.000 2.566 164 R HA 0.652 4.994 4.340 0.003 0.000 0.271 164 R C -2.306 173.967 176.300 -0.045 0.000 1.071 164 R CA -0.451 55.640 56.100 -0.015 0.000 0.915 164 R CB 1.249 31.504 30.300 -0.075 0.000 1.228 164 R HN 0.486 nan 8.270 nan 0.000 0.449 165 V N 4.500 124.378 119.914 -0.060 0.000 2.483 165 V HA 0.586 4.708 4.120 0.003 0.000 0.297 165 V C -0.861 175.117 176.094 -0.194 0.000 1.027 165 V CA -0.818 61.333 62.300 -0.248 0.000 0.855 165 V CB 1.534 33.056 31.823 -0.501 0.000 0.995 165 V HN 0.876 nan 8.190 nan 0.000 0.424 166 R N 2.209 122.607 120.500 -0.169 0.000 2.854 166 R HA 0.928 5.270 4.340 0.003 0.000 0.271 166 R C -0.553 175.797 176.300 0.083 0.000 0.994 166 R CA -0.459 55.653 56.100 0.020 0.000 0.945 166 R CB 1.902 32.159 30.300 -0.071 0.000 1.194 166 R HN 0.578 nan 8.270 nan 0.000 0.476 167 T N -0.901 113.806 114.554 0.255 0.000 2.696 167 T HA 0.838 5.190 4.350 0.003 0.000 0.291 167 T C -1.074 173.664 174.700 0.062 0.000 1.095 167 T CA -0.458 61.745 62.100 0.171 0.000 1.026 167 T CB 1.444 70.481 68.868 0.281 0.000 1.390 167 T HN 0.916 nan 8.240 nan 0.000 0.513 168 G N 0.995 109.802 108.800 0.012 0.000 2.619 168 G HA2 0.718 4.680 3.960 0.003 0.000 0.296 168 G HA3 0.718 4.680 3.960 0.003 0.000 0.296 168 G C -1.636 173.221 174.900 -0.072 0.000 1.334 168 G CA -0.638 44.457 45.100 -0.008 0.000 0.934 168 G HN 0.596 nan 8.290 nan 0.000 0.476 169 R N -0.036 120.437 120.500 -0.046 0.000 2.744 169 R HA 0.706 5.048 4.340 0.003 0.000 0.279 169 R C -1.033 175.374 176.300 0.180 0.000 0.977 169 R CA -0.772 55.318 56.100 -0.017 0.000 0.906 169 R CB 2.086 32.237 30.300 -0.249 0.000 1.197 169 R HN 0.472 nan 8.270 nan 0.000 0.463 170 S N 2.136 118.008 115.700 0.286 0.000 2.473 170 S HA 0.495 4.967 4.470 0.003 0.000 0.307 170 S C -0.016 174.871 174.600 0.478 0.000 1.094 170 S CA -0.723 57.627 58.200 0.249 0.000 1.070 170 S CB 1.185 64.394 63.200 0.015 0.000 1.019 170 S HN 0.290 nan 8.310 nan 0.000 0.480 171 I N 3.302 124.237 120.570 0.609 0.000 2.337 171 I HA 0.243 4.415 4.170 0.003 0.000 0.291 171 I C 0.905 177.197 176.117 0.292 0.000 1.046 171 I CA -0.268 61.176 61.300 0.240 0.000 1.324 171 I CB 0.224 38.152 38.000 -0.119 0.000 1.409 171 I HN 0.628 nan 8.210 nan 0.000 0.494 172 R N 4.331 124.985 120.500 0.257 0.000 2.623 172 R HA 0.313 4.654 4.340 0.003 0.000 0.271 172 R C 1.076 177.537 176.300 0.268 0.000 1.043 172 R CA 1.168 57.412 56.100 0.240 0.000 1.083 172 R CB 0.343 30.757 30.300 0.190 0.000 0.974 172 R HN 0.929 nan 8.270 nan 0.000 0.436 173 G N 2.964 111.889 108.800 0.208 0.000 2.213 173 G HA2 -0.231 3.731 3.960 0.003 0.000 0.236 173 G HA3 -0.231 3.731 3.960 0.003 0.000 0.236 173 G C -0.233 174.782 174.900 0.191 0.000 0.991 173 G CA 0.022 45.232 45.100 0.183 0.000 0.629 173 G HN 0.471 nan 8.290 nan 0.000 0.517 174 L N 1.563 122.911 121.223 0.207 0.000 2.346 174 L HA 0.663 5.005 4.340 0.003 0.000 0.274 174 L C 0.644 177.649 176.870 0.225 0.000 1.007 174 L CA -0.904 54.026 54.840 0.149 0.000 0.818 174 L CB 2.018 44.062 42.059 -0.025 0.000 1.284 174 L HN 0.093 nan 8.230 nan 0.000 0.424 175 S N 2.027 117.824 115.700 0.162 0.000 2.579 175 S HA 0.408 4.880 4.470 0.003 0.000 0.275 175 S C 0.087 174.820 174.600 0.221 0.000 1.345 175 S CA -0.543 57.735 58.200 0.130 0.000 1.031 175 S CB 0.574 63.813 63.200 0.066 0.000 0.892 175 S HN 0.286 nan 8.310 nan 0.000 0.529 176 L N 3.002 124.245 121.223 0.033 0.000 2.466 176 L HA 0.218 4.560 4.340 0.003 0.000 0.257 176 L C -1.390 175.486 176.870 0.011 0.000 1.189 176 L CA -1.860 52.948 54.840 -0.054 0.000 0.813 176 L CB -0.025 41.941 42.059 -0.156 0.000 1.118 176 L HN 0.427 nan 8.230 nan 0.000 0.471 177 P HA -0.148 nan 4.420 nan 0.000 0.218 177 P C -1.580 175.748 177.300 0.047 0.000 1.152 177 P CA 1.468 64.607 63.100 0.064 0.000 0.857 177 P CB -0.728 31.007 31.700 0.059 0.000 0.787 178 P HA -0.058 nan 4.420 nan 0.000 0.223 178 P C 0.919 178.276 177.300 0.096 0.000 1.151 178 P CA 1.771 64.904 63.100 0.056 0.000 0.787 178 P CB -0.337 31.390 31.700 0.046 0.000 0.788 179 A N -1.589 121.234 122.820 0.005 0.000 2.312 179 A HA 0.141 4.463 4.320 0.003 0.000 0.215 179 A C 0.902 178.534 177.584 0.081 0.000 1.256 179 A CA -0.034 52.047 52.037 0.074 0.000 0.966 179 A CB -0.892 18.065 19.000 -0.071 0.000 1.053 179 A HN 0.339 nan 8.150 nan 0.000 0.510 180 C N 2.141 121.482 119.300 0.068 0.000 2.657 180 C HA 0.514 4.976 4.460 0.003 0.000 0.420 180 C C 1.152 176.186 174.990 0.074 0.000 1.323 180 C CA -0.052 59.013 59.018 0.078 0.000 1.894 180 C CB -1.026 26.770 27.740 0.093 0.000 2.681 180 C HN 0.633 nan 8.230 nan 0.000 0.613 181 T N 1.174 115.768 114.554 0.065 0.000 2.816 181 T HA 0.305 4.657 4.350 0.003 0.000 0.282 181 T C 1.123 175.850 174.700 0.045 0.000 0.993 181 T CA -0.448 61.686 62.100 0.058 0.000 0.994 181 T CB 0.552 69.452 68.868 0.054 0.000 1.025 181 T HN 0.796 nan 8.240 nan 0.000 0.529 182 R N 0.435 120.960 120.500 0.042 0.000 2.105 182 R HA -0.082 4.260 4.340 0.003 0.000 0.239 182 R C 2.722 179.033 176.300 0.018 0.000 1.135 182 R CA 1.363 57.481 56.100 0.031 0.000 0.967 182 R CB -0.876 29.442 30.300 0.030 0.000 0.861 182 R HN 0.831 nan 8.270 nan 0.000 0.442 183 A N 1.101 123.933 122.820 0.021 0.000 1.898 183 A HA -0.177 4.145 4.320 0.003 0.000 0.216 183 A C 1.875 179.460 177.584 0.002 0.000 1.181 183 A CA 1.263 53.308 52.037 0.014 0.000 0.620 183 A CB -0.252 18.762 19.000 0.023 0.000 0.819 183 A HN 0.304 nan 8.150 nan 0.000 0.442 184 E N -0.875 119.329 120.200 0.007 0.000 2.072 184 E HA -0.166 4.186 4.350 0.003 0.000 0.191 184 E C 2.333 178.894 176.600 -0.065 0.000 0.985 184 E CA 0.909 57.300 56.400 -0.014 0.000 0.801 184 E CB -0.147 29.563 29.700 0.017 0.000 0.750 184 E HN 0.554 nan 8.360 nan 0.000 0.452 185 R N 1.041 121.522 120.500 -0.031 0.000 2.075 185 R HA -0.107 4.235 4.340 0.003 0.000 0.232 185 R C 2.253 178.513 176.300 -0.068 0.000 1.126 185 R CA 1.236 57.311 56.100 -0.042 0.000 0.963 185 R CB 0.037 30.344 30.300 0.011 0.000 0.858 185 R HN 0.010 nan 8.270 nan 0.000 0.435 186 R N 0.022 120.496 120.500 -0.044 0.000 2.105 186 R HA -0.181 4.161 4.340 0.003 0.000 0.239 186 R C 2.217 178.462 176.300 -0.091 0.000 1.135 186 R CA 1.781 57.853 56.100 -0.047 0.000 0.967 186 R CB -0.221 30.067 30.300 -0.021 0.000 0.861 186 R HN 0.214 nan 8.270 nan 0.000 0.442 187 E N 0.451 120.588 120.200 -0.105 0.000 2.077 187 E HA -0.127 4.225 4.350 0.003 0.000 0.193 187 E C 1.787 178.204 176.600 -0.305 0.000 0.989 187 E CA 1.188 57.499 56.400 -0.149 0.000 0.800 187 E CB -0.073 29.576 29.700 -0.085 0.000 0.746 187 E HN 0.054 nan 8.360 nan 0.000 0.452 188 V N 1.114 120.821 119.914 -0.345 0.000 2.287 188 V HA -0.271 3.851 4.120 0.003 0.000 0.248 188 V C 2.473 178.371 176.094 -0.327 0.000 1.053 188 V CA 2.309 64.343 62.300 -0.445 0.000 1.027 188 V CB -0.632 30.894 31.823 -0.496 0.000 0.646 188 V HN 0.428 nan 8.190 nan 0.000 0.447 189 E N 0.340 120.407 120.200 -0.222 0.000 2.031 189 E HA -0.284 4.068 4.350 0.003 0.000 0.193 189 E C 2.264 178.703 176.600 -0.269 0.000 0.994 189 E CA 1.637 57.913 56.400 -0.207 0.000 0.800 189 E CB -0.312 29.336 29.700 -0.088 0.000 0.752 189 E HN 0.664 nan 8.360 nan 0.000 0.447 190 N N 0.210 118.786 118.700 -0.207 0.000 2.069 190 N HA -0.174 4.568 4.740 0.003 0.000 0.191 190 N C 2.029 177.399 175.510 -0.233 0.000 1.031 190 N CA 1.802 54.743 53.050 -0.182 0.000 0.852 190 N CB -0.041 38.378 38.487 -0.113 0.000 1.018 190 N HN 0.079 nan 8.380 nan 0.000 0.423 191 V N 1.756 121.467 119.914 -0.337 0.000 2.287 191 V HA -0.252 3.870 4.120 0.003 0.000 0.248 191 V C 2.618 178.499 176.094 -0.355 0.000 1.053 191 V CA 2.015 64.048 62.300 -0.445 0.000 1.027 191 V CB -1.039 30.219 31.823 -0.942 0.000 0.646 191 V HN 0.451 nan 8.190 nan 0.000 0.447 192 A N -0.162 122.447 122.820 -0.353 0.000 1.845 192 A HA -0.188 4.133 4.320 0.003 0.000 0.215 192 A C 2.193 179.577 177.584 -0.333 0.000 1.195 192 A CA 2.054 53.902 52.037 -0.314 0.000 0.616 192 A CB -0.606 18.219 19.000 -0.292 0.000 0.832 192 A HN 0.456 nan 8.150 nan 0.000 0.443 193 I N -0.323 120.012 120.570 -0.391 0.000 2.087 193 I HA -0.331 3.841 4.170 0.003 0.000 0.240 193 I C 2.703 178.712 176.117 -0.181 0.000 1.054 193 I CA 2.155 63.251 61.300 -0.339 0.000 1.311 193 I CB -0.807 37.014 38.000 -0.299 0.000 1.024 193 I HN 0.323 nan 8.210 nan 0.000 0.402 194 T N 0.698 115.161 114.554 -0.152 0.000 2.684 194 T HA -0.219 4.133 4.350 0.003 0.000 0.267 194 T C 1.961 176.607 174.700 -0.089 0.000 1.036 194 T CA 1.593 63.639 62.100 -0.089 0.000 1.148 194 T CB -0.433 68.395 68.868 -0.066 0.000 0.863 194 T HN 0.527 nan 8.240 nan 0.000 0.436 195 A N 1.190 123.932 122.820 -0.129 0.000 1.877 195 A HA 0.041 4.362 4.320 0.003 0.000 0.216 195 A C 2.301 179.798 177.584 -0.145 0.000 1.186 195 A CA 1.174 53.141 52.037 -0.117 0.000 0.620 195 A CB -0.825 18.097 19.000 -0.131 0.000 0.822 195 A HN 0.490 nan 8.150 nan 0.000 0.443 196 L N -0.755 120.324 121.223 -0.240 0.000 2.201 196 L HA -0.156 4.186 4.340 0.003 0.000 0.212 196 L C 2.363 179.172 176.870 -0.102 0.000 1.105 196 L CA 1.111 55.726 54.840 -0.375 0.000 0.775 196 L CB -0.585 40.971 42.059 -0.839 0.000 0.913 196 L HN 0.468 nan 8.230 nan 0.000 0.440 197 E N 0.314 120.508 120.200 -0.011 0.000 2.219 197 E HA -0.196 4.156 4.350 0.003 0.000 0.198 197 E C 2.114 178.747 176.600 0.055 0.000 0.998 197 E CA 1.011 57.452 56.400 0.068 0.000 0.818 197 E CB -0.194 29.527 29.700 0.036 0.000 0.741 197 E HN 0.564 nan 8.360 nan 0.000 0.477 198 G N 0.400 109.206 108.800 0.011 0.000 2.744 198 G HA2 -0.034 3.927 3.960 0.003 0.000 0.211 198 G HA3 -0.034 3.927 3.960 0.003 0.000 0.211 198 G C 0.565 175.481 174.900 0.026 0.000 1.143 198 G CA -0.196 44.911 45.100 0.012 0.000 0.788 198 G HN 0.036 nan 8.290 nan 0.000 0.534 199 L N 1.196 122.448 121.223 0.049 0.000 2.416 199 L HA 0.313 4.655 4.340 0.003 0.000 0.272 199 L C 0.725 177.674 176.870 0.132 0.000 1.161 199 L CA -0.033 54.862 54.840 0.091 0.000 0.845 199 L CB 0.889 43.046 42.059 0.163 0.000 1.119 199 L HN 0.262 nan 8.230 nan 0.000 0.464 200 K N 1.846 122.301 120.400 0.091 0.000 2.283 200 K HA 0.778 5.100 4.320 0.003 0.000 0.257 200 K C 0.342 176.982 176.600 0.065 0.000 1.066 200 K CA -0.157 56.177 56.287 0.078 0.000 0.891 200 K CB 1.410 33.936 32.500 0.043 0.000 1.438 200 K HN 0.584 nan 8.250 nan 0.000 0.464 201 G N 1.514 110.344 108.800 0.050 0.000 2.583 201 G HA2 -0.395 3.567 3.960 0.003 0.000 0.292 201 G HA3 -0.395 3.567 3.960 0.003 0.000 0.292 201 G C 0.447 175.384 174.900 0.061 0.000 1.203 201 G CA 0.906 46.029 45.100 0.039 0.000 0.987 201 G HN 0.979 nan 8.290 nan 0.000 0.554 202 D N 0.985 121.416 120.400 0.052 0.000 2.371 202 D HA 0.039 4.680 4.640 0.003 0.000 0.221 202 D C 2.236 178.604 176.300 0.113 0.000 0.986 202 D CA 1.143 55.187 54.000 0.072 0.000 0.899 202 D CB -0.149 40.678 40.800 0.045 0.000 0.902 202 D HN 0.515 nan 8.370 nan 0.000 0.530 203 L N 0.060 121.358 121.223 0.125 0.000 2.607 203 L HA 0.330 4.672 4.340 0.003 0.000 0.228 203 L C 1.171 178.294 176.870 0.422 0.000 1.123 203 L CA -0.400 54.596 54.840 0.261 0.000 0.890 203 L CB 0.013 42.139 42.059 0.111 0.000 1.103 203 L HN -0.060 nan 8.230 nan 0.000 0.468 204 A N 0.531 123.508 122.820 0.261 0.000 2.511 204 A HA 0.537 4.859 4.320 0.003 0.000 0.242 204 A C 0.582 178.291 177.584 0.208 0.000 1.069 204 A CA 0.755 52.943 52.037 0.252 0.000 0.763 204 A CB 0.065 19.145 19.000 0.133 0.000 1.001 204 A HN 0.319 nan 8.150 nan 0.000 0.498 205 G N 1.280 110.206 108.800 0.210 0.000 2.619 205 G HA2 0.644 4.606 3.960 0.003 0.000 0.305 205 G HA3 0.644 4.606 3.960 0.003 0.000 0.305 205 G C -1.205 173.575 174.900 -0.200 0.000 1.330 205 G CA -0.902 44.063 45.100 -0.226 0.000 0.789 205 G HN 0.796 nan 8.290 nan 0.000 0.487 206 R N -1.060 119.092 120.500 -0.580 0.000 2.771 206 R HA 0.410 4.752 4.340 0.003 0.000 0.274 206 R C -1.831 174.160 176.300 -0.515 0.000 0.987 206 R CA -0.824 55.018 56.100 -0.430 0.000 0.908 206 R CB 2.668 32.640 30.300 -0.546 0.000 1.213 206 R HN 0.538 nan 8.270 nan 0.000 0.468 207 Y N 1.628 121.745 120.300 -0.304 0.000 2.323 207 Y HA 0.341 4.893 4.550 0.003 0.000 0.331 207 Y C -1.263 174.380 175.900 -0.429 0.000 1.092 207 Y CA -0.835 57.206 58.100 -0.097 0.000 1.150 207 Y CB 0.750 39.291 38.460 0.136 0.000 1.200 207 Y HN 0.419 nan 8.280 nan 0.000 0.472 208 Y N 4.929 124.851 120.300 -0.629 0.000 2.345 208 Y HA 0.392 4.943 4.550 0.003 0.000 0.331 208 Y C -0.108 175.295 175.900 -0.828 0.000 0.959 208 Y CA -1.176 56.596 58.100 -0.546 0.000 1.204 208 Y CB 1.129 39.414 38.460 -0.292 0.000 1.135 208 Y HN 0.387 nan 8.280 nan 0.000 0.477 209 K N 3.831 123.893 120.400 -0.563 0.000 2.368 209 K HA 0.168 4.490 4.320 0.003 0.000 0.282 209 K C 0.745 177.234 176.600 -0.185 0.000 1.035 209 K CA -0.167 55.910 56.287 -0.350 0.000 0.973 209 K CB 1.008 33.431 32.500 -0.127 0.000 0.957 209 K HN 0.785 nan 8.250 nan 0.000 0.474 210 L N 1.828 122.956 121.223 -0.158 0.000 2.201 210 L HA -0.195 4.147 4.340 0.003 0.000 0.212 210 L C 2.341 179.107 176.870 -0.173 0.000 1.105 210 L CA 1.259 55.998 54.840 -0.168 0.000 0.775 210 L CB -0.528 41.390 42.059 -0.236 0.000 0.913 210 L HN 0.748 nan 8.230 nan 0.000 0.440 211 S N -0.642 114.960 115.700 -0.164 0.000 2.423 211 S HA -0.166 4.305 4.470 0.003 0.000 0.231 211 S C 1.383 175.938 174.600 -0.076 0.000 1.014 211 S CA 0.839 58.964 58.200 -0.125 0.000 0.965 211 S CB -0.220 62.921 63.200 -0.099 0.000 0.785 211 S HN 0.541 nan 8.310 nan 0.000 0.495 212 E N 0.157 120.316 120.200 -0.068 0.000 2.465 212 E HA 0.331 4.683 4.350 0.003 0.000 0.195 212 E C -0.127 176.456 176.600 -0.029 0.000 1.028 212 E CA -0.224 56.151 56.400 -0.042 0.000 0.899 212 E CB 0.276 29.953 29.700 -0.039 0.000 1.032 212 E HN 0.551 nan 8.360 nan 0.000 0.468 213 M N 2.164 121.739 119.600 -0.041 0.000 2.268 213 M HA 0.164 4.645 4.480 0.003 0.000 0.344 213 M C 0.191 176.474 176.300 -0.029 0.000 1.106 213 M CA -0.499 54.782 55.300 -0.031 0.000 1.010 213 M CB 1.211 33.780 32.600 -0.052 0.000 1.649 213 M HN -0.035 nan 8.290 nan 0.000 0.443 214 T N 0.286 114.828 114.554 -0.020 0.000 2.795 214 T HA 0.054 4.406 4.350 0.003 0.000 0.314 214 T C 0.791 175.482 174.700 -0.014 0.000 1.069 214 T CA -0.211 61.881 62.100 -0.014 0.000 1.071 214 T CB 0.840 69.701 68.868 -0.011 0.000 0.988 214 T HN 0.815 nan 8.240 nan 0.000 0.543 215 E N 0.671 120.869 120.200 -0.003 0.000 2.110 215 E HA -0.192 4.160 4.350 0.003 0.000 0.193 215 E C 2.374 178.970 176.600 -0.008 0.000 0.988 215 E CA 2.022 58.426 56.400 0.007 0.000 0.804 215 E CB -0.394 29.316 29.700 0.017 0.000 0.745 215 E HN 0.919 nan 8.360 nan 0.000 0.458 216 Q N -0.229 119.563 119.800 -0.014 0.000 2.123 216 Q HA -0.113 4.229 4.340 0.003 0.000 0.199 216 Q C 1.398 177.376 176.000 -0.036 0.000 0.966 216 Q CA 1.533 57.323 55.803 -0.023 0.000 0.845 216 Q CB -0.211 28.515 28.738 -0.020 0.000 0.907 216 Q HN 0.086 nan 8.270 nan 0.000 0.439 217 D N 1.088 121.464 120.400 -0.040 0.000 2.104 217 D HA -0.177 4.465 4.640 0.003 0.000 0.194 217 D C 2.062 178.315 176.300 -0.079 0.000 0.994 217 D CA 1.588 55.551 54.000 -0.061 0.000 0.830 217 D CB -0.203 40.559 40.800 -0.064 0.000 0.959 217 D HN 0.435 nan 8.370 nan 0.000 0.452 218 Q N -0.179 119.579 119.800 -0.070 0.000 2.077 218 Q HA -0.247 4.095 4.340 0.003 0.000 0.206 218 Q C 2.170 178.119 176.000 -0.085 0.000 0.989 218 Q CA 1.506 57.258 55.803 -0.085 0.000 0.853 218 Q CB -0.145 28.570 28.738 -0.038 0.000 0.907 218 Q HN 0.170 nan 8.270 nan 0.000 0.418 219 Q N 0.771 120.536 119.800 -0.058 0.000 2.119 219 Q HA -0.113 4.229 4.340 0.003 0.000 0.201 219 Q C 1.799 177.754 176.000 -0.076 0.000 0.972 219 Q CA 1.467 57.233 55.803 -0.062 0.000 0.847 219 Q CB 0.075 28.787 28.738 -0.043 0.000 0.903 219 Q HN 0.221 nan 8.270 nan 0.000 0.433 220 R N -0.559 119.901 120.500 -0.066 0.000 2.073 220 R HA -0.099 4.242 4.340 0.003 0.000 0.234 220 R C 2.314 178.583 176.300 -0.052 0.000 1.134 220 R CA 1.542 57.606 56.100 -0.060 0.000 0.952 220 R CB -0.454 29.817 30.300 -0.049 0.000 0.850 220 R HN 0.288 nan 8.270 nan 0.000 0.433 221 L N 0.324 121.516 121.223 -0.051 0.000 2.141 221 L HA -0.148 4.194 4.340 0.003 0.000 0.209 221 L C 2.318 179.163 176.870 -0.042 0.000 1.094 221 L CA 1.038 55.881 54.840 0.006 0.000 0.763 221 L CB -0.262 41.764 42.059 -0.056 0.000 0.908 221 L HN 0.197 nan 8.230 nan 0.000 0.437 222 I N -0.284 120.216 120.570 -0.116 0.000 2.202 222 I HA -0.264 3.908 4.170 0.003 0.000 0.242 222 I C 1.926 177.921 176.117 -0.204 0.000 1.091 222 I CA 1.175 62.389 61.300 -0.143 0.000 1.368 222 I CB -0.290 37.632 38.000 -0.130 0.000 1.058 222 I HN 0.234 nan 8.210 nan 0.000 0.410 223 D N 0.586 120.855 120.400 -0.219 0.000 2.224 223 D HA -0.133 4.509 4.640 0.003 0.000 0.205 223 D C 1.263 177.253 176.300 -0.517 0.000 0.965 223 D CA 1.032 54.844 54.000 -0.313 0.000 0.852 223 D CB -0.305 40.382 40.800 -0.188 0.000 0.947 223 D HN 0.292 nan 8.370 nan 0.000 0.494 224 D N -0.250 119.908 120.400 -0.404 0.000 2.328 224 D HA -0.032 4.610 4.640 0.003 0.000 0.226 224 D C 0.228 176.033 176.300 -0.826 0.000 1.066 224 D CA 0.134 53.820 54.000 -0.522 0.000 0.861 224 D CB -0.041 40.633 40.800 -0.211 0.000 0.912 224 D HN 0.264 nan 8.370 nan 0.000 0.521 225 H N -2.017 116.839 119.070 -0.357 0.000 3.109 225 H HA -0.194 4.364 4.556 0.003 0.000 0.245 225 H C 0.658 175.888 175.328 -0.163 0.000 1.187 225 H CA 0.563 56.465 56.048 -0.244 0.000 1.136 225 H CB -2.034 27.563 29.762 -0.274 0.000 1.243 225 H HN 0.353 nan 8.280 nan 0.000 0.328 226 F N -0.319 119.721 119.950 0.151 0.000 2.714 226 F HA 0.213 4.742 4.527 0.003 0.000 0.294 226 F C 1.106 177.104 175.800 0.329 0.000 1.120 226 F CA -0.159 57.955 58.000 0.190 0.000 1.398 226 F CB 0.767 39.750 39.000 -0.028 0.000 1.120 226 F HN -0.021 nan 8.300 nan 0.000 0.589 227 L N 0.209 121.541 121.223 0.181 0.000 2.381 227 L HA 0.466 4.808 4.340 0.003 0.000 0.268 227 L C -0.449 176.012 176.870 -0.682 0.000 0.997 227 L CA -1.536 53.065 54.840 -0.399 0.000 0.818 227 L CB 0.860 42.627 42.059 -0.487 0.000 1.310 227 L HN 0.014 nan 8.230 nan 0.000 0.416 228 F N 0.345 119.559 119.950 -1.226 0.000 2.553 228 F HA 0.374 4.903 4.527 0.003 0.000 0.356 228 F C 0.304 175.905 175.800 -0.332 0.000 1.142 228 F CA -0.682 56.794 58.000 -0.873 0.000 1.322 228 F CB -0.509 37.960 39.000 -0.886 0.000 1.126 228 F HN 0.442 nan 8.300 nan 0.000 0.599 229 D N 1.105 121.509 120.400 0.007 0.000 2.371 229 D HA 0.145 4.787 4.640 0.003 0.000 0.242 229 D C -0.202 176.104 176.300 0.010 0.000 1.218 229 D CA -0.458 53.534 54.000 -0.013 0.000 0.945 229 D CB 0.432 41.224 40.800 -0.013 0.000 1.137 229 D HN 0.494 nan 8.370 nan 0.000 0.464 230 K N 1.055 121.363 120.400 -0.155 0.000 2.469 230 K HA 0.081 4.402 4.320 0.003 0.000 0.274 230 K C -1.898 174.417 176.600 -0.477 0.000 0.983 230 K CA -0.808 55.152 56.287 -0.545 0.000 0.974 230 K CB 0.097 32.285 32.500 -0.521 0.000 0.913 230 K HN 0.279 nan 8.250 nan 0.000 0.493 231 P HA -0.001 nan 4.420 nan 0.000 0.220 231 P C 0.487 177.626 177.300 -0.268 0.000 1.806 231 P CA 0.019 62.881 63.100 -0.397 0.000 0.976 231 P CB -0.211 31.227 31.700 -0.437 0.000 1.952 232 V N -1.785 118.007 119.914 -0.203 0.000 3.541 232 V HA 0.074 4.195 4.120 0.003 0.000 0.267 232 V C 1.129 177.190 176.094 -0.054 0.000 1.213 232 V CA 0.133 62.360 62.300 -0.122 0.000 1.149 232 V CB -0.928 30.832 31.823 -0.105 0.000 0.822 232 V HN 0.291 nan 8.190 nan 0.000 0.462 233 S N 2.829 118.509 115.700 -0.033 0.000 2.544 233 S HA 0.183 4.654 4.470 0.003 0.000 0.290 233 S C -0.554 174.059 174.600 0.022 0.000 1.276 233 S CA -0.357 57.858 58.200 0.026 0.000 1.075 233 S CB 0.948 64.183 63.200 0.057 0.000 0.849 233 S HN 0.486 nan 8.310 nan 0.000 0.494 234 P HA -0.062 nan 4.420 nan 0.000 0.223 234 P C 1.360 178.684 177.300 0.040 0.000 1.151 234 P CA 0.502 63.619 63.100 0.029 0.000 0.787 234 P CB 0.026 31.741 31.700 0.026 0.000 0.788 235 L N -0.776 120.483 121.223 0.060 0.000 2.042 235 L HA -0.146 4.196 4.340 0.003 0.000 0.210 235 L C 2.755 179.647 176.870 0.037 0.000 1.076 235 L CA 1.768 56.636 54.840 0.048 0.000 0.749 235 L CB -1.706 40.375 42.059 0.036 0.000 0.893 235 L HN -0.087 nan 8.230 nan 0.000 0.432 236 L N -1.357 119.882 121.223 0.028 0.000 2.023 236 L HA -0.164 4.178 4.340 0.003 0.000 0.205 236 L C 2.632 179.514 176.870 0.020 0.000 1.073 236 L CA 1.717 56.568 54.840 0.019 0.000 0.745 236 L CB -1.214 40.841 42.059 -0.007 0.000 0.900 236 L HN 0.441 nan 8.230 nan 0.000 0.435 237 T N -3.019 111.540 114.554 0.008 0.000 2.746 237 T HA -0.191 4.161 4.350 0.003 0.000 0.267 237 T C 1.873 176.588 174.700 0.025 0.000 1.039 237 T CA 1.353 63.459 62.100 0.009 0.000 1.142 237 T CB -0.962 67.903 68.868 -0.005 0.000 0.866 237 T HN 0.345 nan 8.240 nan 0.000 0.444 238 C N 1.816 121.131 119.300 0.025 0.000 2.456 238 C HA 0.536 4.998 4.460 0.003 0.000 0.279 238 C C 3.101 178.115 174.990 0.039 0.000 1.427 238 C CA -0.085 58.949 59.018 0.027 0.000 1.778 238 C CB -1.640 26.114 27.740 0.023 0.000 1.842 238 C HN 0.748 nan 8.230 nan 0.000 0.531 239 A N -0.148 122.703 122.820 0.051 0.000 2.251 239 A HA 0.453 4.775 4.320 0.003 0.000 0.209 239 A C 1.791 179.432 177.584 0.095 0.000 1.187 239 A CA 1.011 53.093 52.037 0.075 0.000 0.823 239 A CB -0.680 18.364 19.000 0.073 0.000 0.846 239 A HN 1.101 nan 8.150 nan 0.000 0.486 240 G N -1.149 107.698 108.800 0.078 0.000 2.143 240 G HA2 -0.315 3.647 3.960 0.003 0.000 0.248 240 G HA3 -0.315 3.647 3.960 0.003 0.000 0.248 240 G C 0.654 175.605 174.900 0.086 0.000 0.991 240 G CA 0.688 45.841 45.100 0.088 0.000 0.689 240 G HN 0.435 nan 8.290 nan 0.000 0.522 241 M N -0.166 119.475 119.600 0.070 0.000 2.495 241 M HA 0.372 4.854 4.480 0.003 0.000 0.237 241 M C 2.209 178.554 176.300 0.076 0.000 1.131 241 M CA 1.070 56.410 55.300 0.068 0.000 1.032 241 M CB 0.484 33.114 32.600 0.050 0.000 1.513 241 M HN 0.447 nan 8.290 nan 0.000 0.488 242 A N 0.246 123.105 122.820 0.065 0.000 2.387 242 A HA 0.232 4.554 4.320 0.003 0.000 0.234 242 A C 0.541 178.219 177.584 0.157 0.000 1.253 242 A CA -0.347 51.736 52.037 0.076 0.000 0.894 242 A CB -0.062 18.927 19.000 -0.018 0.000 0.963 242 A HN 0.297 nan 8.150 nan 0.000 0.508 243 R N 1.279 121.861 120.500 0.136 0.000 2.570 243 R HA 0.193 4.535 4.340 0.003 0.000 0.277 243 R C -0.270 176.125 176.300 0.157 0.000 1.039 243 R CA 0.425 56.602 56.100 0.130 0.000 1.065 243 R CB 0.122 30.484 30.300 0.102 0.000 0.964 243 R HN 0.362 nan 8.270 nan 0.000 0.428 244 D N -0.024 120.461 120.400 0.142 0.000 3.046 244 D HA -0.248 4.394 4.640 0.003 0.000 0.210 244 D C -0.375 176.011 176.300 0.145 0.000 1.124 244 D CA 0.997 55.069 54.000 0.119 0.000 0.986 244 D CB -1.288 39.559 40.800 0.080 0.000 1.118 244 D HN 0.580 nan 8.370 nan 0.000 0.416 245 W N 3.112 124.435 121.300 0.038 0.000 2.257 245 W HA 0.185 4.847 4.660 0.003 0.000 0.337 245 W C -1.190 175.358 176.519 0.049 0.000 1.321 245 W CA -0.473 56.900 57.345 0.046 0.000 1.267 245 W CB 0.506 29.992 29.460 0.044 0.000 1.187 245 W HN -0.095 nan 8.180 nan 0.000 0.565 246 P HA -0.029 nan 4.420 nan 0.000 0.249 246 P C -0.378 176.625 177.300 -0.496 0.000 1.583 246 P CA 0.066 62.446 63.100 -1.200 0.000 0.988 246 P CB -0.065 30.852 31.700 -1.306 0.000 1.530 247 D N 1.476 121.739 120.400 -0.229 0.000 2.434 247 D HA 0.109 4.751 4.640 0.003 0.000 0.252 247 D C 0.904 177.163 176.300 -0.067 0.000 1.185 247 D CA 0.928 54.866 54.000 -0.103 0.000 0.886 247 D CB 0.553 41.334 40.800 -0.032 0.000 1.148 247 D HN 0.194 nan 8.370 nan 0.000 0.483 248 A N 3.233 126.036 122.820 -0.030 0.000 2.979 248 A HA -0.279 4.043 4.320 0.003 0.000 0.260 248 A C 0.330 177.955 177.584 0.069 0.000 1.282 248 A CA 1.093 53.147 52.037 0.028 0.000 0.971 248 A CB -1.275 17.732 19.000 0.011 0.000 1.124 248 A HN 0.622 nan 8.150 nan 0.000 0.826 249 R N -0.532 119.978 120.500 0.017 0.000 2.474 249 R HA 0.696 5.038 4.340 0.003 0.000 0.295 249 R C 0.674 177.095 176.300 0.202 0.000 0.980 249 R CA 0.873 57.033 56.100 0.100 0.000 0.934 249 R CB 1.602 31.888 30.300 -0.023 0.000 1.101 249 R HN 1.142 nan 8.270 nan 0.000 0.469 250 G N 0.735 109.778 108.800 0.405 0.000 2.550 250 G HA2 0.489 4.450 3.960 0.003 0.000 0.293 250 G HA3 0.489 4.450 3.960 0.003 0.000 0.293 250 G C -1.760 173.447 174.900 0.513 0.000 1.402 250 G CA -0.614 44.656 45.100 0.283 0.000 0.784 250 G HN 0.532 nan 8.290 nan 0.000 0.482 251 I N -0.270 120.488 120.570 0.314 0.000 2.499 251 I HA 0.694 4.865 4.170 0.003 0.000 0.288 251 I C -1.661 174.803 176.117 0.578 0.000 1.048 251 I CA -1.234 60.377 61.300 0.518 0.000 1.062 251 I CB 1.772 39.974 38.000 0.337 0.000 1.238 251 I HN 0.702 nan 8.210 nan 0.000 0.426 252 W N 8.604 130.202 121.300 0.496 0.000 2.520 252 W HA 0.610 5.272 4.660 0.003 0.000 0.323 252 W C -1.220 175.481 176.519 0.302 0.000 1.062 252 W CA 0.033 57.601 57.345 0.372 0.000 1.215 252 W CB 0.784 30.429 29.460 0.309 0.000 1.340 252 W HN 0.661 nan 8.180 nan 0.000 0.516 253 H N 2.095 120.757 119.070 -0.680 0.000 3.016 253 H HA 0.483 5.041 4.556 0.003 0.000 0.362 253 H C -0.428 174.271 175.328 -1.049 0.000 1.233 253 H CA -1.295 54.295 56.048 -0.762 0.000 1.124 253 H CB 0.542 30.139 29.762 -0.275 0.000 1.850 253 H HN 0.440 nan 8.280 nan 0.000 0.549 254 N N 0.205 118.644 118.700 -0.436 0.000 2.347 254 N HA -0.065 4.676 4.740 0.003 0.000 0.253 254 N C 0.558 176.115 175.510 0.079 0.000 1.274 254 N CA -0.541 52.426 53.050 -0.138 0.000 0.941 254 N CB 0.241 38.800 38.487 0.121 0.000 1.200 254 N HN 0.749 nan 8.380 nan 0.000 0.514 255 Y N -0.116 120.177 120.300 -0.012 0.000 2.181 255 Y HA -0.132 4.420 4.550 0.003 0.000 0.288 255 Y C 1.080 176.960 175.900 -0.033 0.000 1.146 255 Y CA 1.812 59.914 58.100 0.004 0.000 1.164 255 Y CB -0.378 38.082 38.460 0.000 0.000 0.982 255 Y HN 0.528 nan 8.280 nan 0.000 0.515 256 D N 0.223 120.564 120.400 -0.098 0.000 2.310 256 D HA -0.126 4.516 4.640 0.003 0.000 0.212 256 D C 0.621 176.764 176.300 -0.262 0.000 0.965 256 D CA 1.183 55.070 54.000 -0.187 0.000 0.879 256 D CB -0.207 40.573 40.800 -0.033 0.000 0.921 256 D HN 0.328 nan 8.370 nan 0.000 0.510 257 K N -0.931 119.304 120.400 -0.274 0.000 3.117 257 K HA -0.175 4.147 4.320 0.003 0.000 0.269 257 K C 0.761 177.265 176.600 -0.160 0.000 1.098 257 K CA 0.942 56.948 56.287 -0.469 0.000 0.785 257 K CB -2.243 29.505 32.500 -1.254 0.000 1.242 257 K HN 0.367 nan 8.250 nan 0.000 0.491 258 T N -2.762 111.813 114.554 0.034 0.000 3.014 258 T HA 0.158 4.510 4.350 0.003 0.000 0.250 258 T C 0.162 175.044 174.700 0.303 0.000 1.060 258 T CA -0.039 62.157 62.100 0.159 0.000 1.040 258 T CB 0.110 69.061 68.868 0.139 0.000 0.971 258 T HN 0.214 nan 8.240 nan 0.000 0.497 259 F N 1.780 121.806 119.950 0.127 0.000 2.553 259 F HA 0.709 5.238 4.527 0.003 0.000 0.335 259 F C -1.863 174.133 175.800 0.328 0.000 1.148 259 F CA -2.242 55.895 58.000 0.229 0.000 0.963 259 F CB 1.246 40.408 39.000 0.270 0.000 1.217 259 F HN -0.074 nan 8.300 nan 0.000 0.441 260 L N 6.351 127.502 121.223 -0.120 0.000 2.354 260 L HA 0.660 5.002 4.340 0.003 0.000 0.264 260 L C -0.935 175.907 176.870 -0.045 0.000 1.008 260 L CA -0.564 54.322 54.840 0.076 0.000 0.819 260 L CB 2.391 44.529 42.059 0.132 0.000 1.339 260 L HN 0.419 nan 8.230 nan 0.000 0.420 261 I N 0.843 121.604 120.570 0.319 0.000 2.478 261 I HA 0.317 4.489 4.170 0.003 0.000 0.287 261 I C -1.358 175.076 176.117 0.527 0.000 1.042 261 I CA -0.396 61.029 61.300 0.208 0.000 1.067 261 I CB 1.788 39.842 38.000 0.089 0.000 1.233 261 I HN 0.407 nan 8.210 nan 0.000 0.431 262 W N 7.200 128.675 121.300 0.291 0.000 2.361 262 W HA 0.527 5.188 4.660 0.003 0.000 0.309 262 W C -0.256 176.434 176.519 0.285 0.000 1.122 262 W CA -1.012 56.580 57.345 0.412 0.000 1.208 262 W CB 0.748 30.495 29.460 0.478 0.000 1.246 262 W HN 0.171 nan 8.180 nan 0.000 0.490 263 I N 4.903 125.803 120.570 0.549 0.000 2.354 263 I HA 0.114 4.286 4.170 0.003 0.000 0.292 263 I C 0.373 176.614 176.117 0.207 0.000 0.989 263 I CA -0.657 60.835 61.300 0.319 0.000 1.188 263 I CB 1.039 39.213 38.000 0.290 0.000 1.342 263 I HN 0.427 nan 8.210 nan 0.000 0.457 264 N N 3.479 122.262 118.700 0.139 0.000 2.741 264 N HA -0.219 4.523 4.740 0.003 0.000 0.251 264 N C 0.686 176.203 175.510 0.011 0.000 1.112 264 N CA 1.271 54.377 53.050 0.093 0.000 0.750 264 N CB -0.751 37.782 38.487 0.077 0.000 1.119 264 N HN 0.754 nan 8.380 nan 0.000 0.561 265 E N 1.077 121.208 120.200 -0.114 0.000 2.066 265 E HA 0.095 4.446 4.350 0.003 0.000 0.207 265 E C 1.125 177.678 176.600 -0.079 0.000 0.937 265 E CA 1.227 57.452 56.400 -0.293 0.000 0.906 265 E CB -0.150 28.922 29.700 -1.048 0.000 0.986 265 E HN 0.342 nan 8.360 nan 0.000 0.490 266 E N 0.384 120.576 120.200 -0.012 0.000 2.442 266 E HA 0.204 4.556 4.350 0.003 0.000 0.195 266 E C -0.524 176.112 176.600 0.060 0.000 1.030 266 E CA 0.452 56.885 56.400 0.054 0.000 0.869 266 E CB 0.487 30.260 29.700 0.122 0.000 0.857 266 E HN 0.130 nan 8.360 nan 0.000 0.505 267 D N -2.674 117.767 120.400 0.069 0.000 2.725 267 D HA 0.095 4.737 4.640 0.003 0.000 0.292 267 D C 0.243 176.613 176.300 0.118 0.000 1.288 267 D CA -0.549 53.476 54.000 0.041 0.000 0.784 267 D CB 0.298 41.124 40.800 0.044 0.000 1.308 267 D HN -0.039 nan 8.370 nan 0.000 0.429 268 H N -0.310 118.796 119.070 0.059 0.000 2.319 268 H HA -0.060 4.498 4.556 0.003 0.000 0.297 268 H C 0.762 176.123 175.328 0.054 0.000 1.097 268 H CA 1.685 57.756 56.048 0.039 0.000 1.285 268 H CB 0.331 30.110 29.762 0.028 0.000 1.368 268 H HN 0.319 nan 8.280 nan 0.000 0.495 269 T N -1.279 113.397 114.554 0.204 0.000 2.933 269 T HA 0.503 4.855 4.350 0.003 0.000 0.305 269 T C -0.756 174.012 174.700 0.114 0.000 1.092 269 T CA -1.275 60.914 62.100 0.147 0.000 1.008 269 T CB 3.018 71.939 68.868 0.088 0.000 1.102 269 T HN 0.005 nan 8.240 nan 0.000 0.469 270 R N 2.096 122.677 120.500 0.135 0.000 2.393 270 R HA 0.593 4.934 4.340 0.003 0.000 0.315 270 R C -1.032 175.216 176.300 -0.086 0.000 0.952 270 R CA -0.752 55.371 56.100 0.039 0.000 0.842 270 R CB 1.851 32.200 30.300 0.081 0.000 1.163 270 R HN 0.655 nan 8.270 nan 0.000 0.450 271 V N 5.812 125.667 119.914 -0.098 0.000 2.370 271 V HA 0.481 4.603 4.120 0.003 0.000 0.279 271 V C 0.464 176.523 176.094 -0.058 0.000 1.029 271 V CA -0.506 61.693 62.300 -0.168 0.000 0.870 271 V CB 1.404 33.121 31.823 -0.177 0.000 0.984 271 V HN 0.554 nan 8.190 nan 0.000 0.451 272 I N 3.688 124.142 120.570 -0.193 0.000 2.436 272 I HA 0.441 4.613 4.170 0.003 0.000 0.289 272 I C -0.094 176.102 176.117 0.131 0.000 1.010 272 I CA -0.158 61.102 61.300 -0.065 0.000 1.098 272 I CB 2.149 39.963 38.000 -0.310 0.000 1.266 272 I HN 0.569 nan 8.210 nan 0.000 0.434 273 S N 8.289 124.195 115.700 0.344 0.000 2.498 273 S HA 0.851 5.322 4.470 0.003 0.000 0.317 273 S C -0.568 174.165 174.600 0.221 0.000 1.090 273 S CA -0.618 57.822 58.200 0.400 0.000 1.089 273 S CB 0.576 64.093 63.200 0.530 0.000 0.997 273 S HN 0.610 nan 8.310 nan 0.000 0.470 274 M N 2.712 122.432 119.600 0.200 0.000 2.622 274 M HA 0.739 5.220 4.480 0.003 0.000 0.276 274 M C -1.478 174.913 176.300 0.152 0.000 1.265 274 M CA -0.759 54.625 55.300 0.140 0.000 0.850 274 M CB 2.053 34.715 32.600 0.103 0.000 1.720 274 M HN 0.487 nan 8.290 nan 0.000 0.465 275 E N 0.574 120.839 120.200 0.109 0.000 2.401 275 E HA 0.393 4.745 4.350 0.003 0.000 0.280 275 E C -1.598 175.044 176.600 0.070 0.000 1.039 275 E CA -1.082 55.380 56.400 0.102 0.000 0.814 275 E CB 2.299 32.053 29.700 0.089 0.000 1.275 275 E HN 0.492 nan 8.360 nan 0.000 0.448 276 K N 0.779 121.220 120.400 0.069 0.000 2.258 276 K HA 0.500 4.822 4.320 0.003 0.000 0.264 276 K C 0.538 177.170 176.600 0.053 0.000 1.007 276 K CA 0.831 57.149 56.287 0.051 0.000 0.941 276 K CB 0.722 33.251 32.500 0.048 0.000 0.966 276 K HN 0.812 nan 8.250 nan 0.000 0.480 277 G N 0.562 109.395 108.800 0.055 0.000 2.568 277 G HA2 -0.182 3.780 3.960 0.003 0.000 0.222 277 G HA3 -0.182 3.780 3.960 0.003 0.000 0.222 277 G C 0.398 175.371 174.900 0.122 0.000 1.321 277 G CA -0.213 44.927 45.100 0.067 0.000 0.893 277 G HN 0.690 nan 8.290 nan 0.000 0.569 278 G N -0.587 108.294 108.800 0.135 0.000 3.377 278 G HA2 0.333 4.295 3.960 0.003 0.000 0.257 278 G HA3 0.333 4.295 3.960 0.003 0.000 0.257 278 G C 0.465 175.393 174.900 0.048 0.000 1.038 278 G CA 0.791 46.042 45.100 0.251 0.000 0.809 278 G HN 0.722 nan 8.290 nan 0.000 0.526 279 N N 1.526 120.234 118.700 0.014 0.000 2.895 279 N HA 0.108 4.850 4.740 0.003 0.000 0.277 279 N C 1.511 176.997 175.510 -0.040 0.000 1.185 279 N CA -0.352 52.669 53.050 -0.049 0.000 1.106 279 N CB 0.669 39.151 38.487 -0.008 0.000 1.422 279 N HN 0.100 nan 8.380 nan 0.000 0.521 280 M N 2.375 121.889 119.600 -0.143 0.000 2.159 280 M HA -0.089 4.393 4.480 0.003 0.000 0.263 280 M C 1.864 178.167 176.300 0.004 0.000 1.063 280 M CA 1.616 56.876 55.300 -0.066 0.000 1.110 280 M CB -0.115 32.377 32.600 -0.181 0.000 1.374 280 M HN 0.367 nan 8.290 nan 0.000 0.411 281 K N -0.494 119.880 120.400 -0.043 0.000 2.032 281 K HA -0.251 4.071 4.320 0.003 0.000 0.209 281 K C 2.335 178.992 176.600 0.095 0.000 1.048 281 K CA 1.920 58.236 56.287 0.048 0.000 0.927 281 K CB -0.256 32.241 32.500 -0.005 0.000 0.712 281 K HN 0.402 nan 8.250 nan 0.000 0.441 282 R N 0.164 120.695 120.500 0.052 0.000 2.066 282 R HA -0.088 4.254 4.340 0.003 0.000 0.232 282 R C 2.134 178.491 176.300 0.094 0.000 1.131 282 R CA 1.435 57.569 56.100 0.056 0.000 0.955 282 R CB -0.255 30.067 30.300 0.037 0.000 0.851 282 R HN 0.073 nan 8.270 nan 0.000 0.432 283 V N 0.876 120.860 119.914 0.116 0.000 2.332 283 V HA -0.258 3.863 4.120 0.003 0.000 0.248 283 V C 2.072 178.315 176.094 0.250 0.000 1.055 283 V CA 1.961 64.359 62.300 0.163 0.000 1.038 283 V CB -0.654 31.253 31.823 0.140 0.000 0.651 283 V HN 0.344 nan 8.190 nan 0.000 0.450 284 F N 0.974 120.961 119.950 0.062 0.000 2.186 284 F HA -0.090 4.439 4.527 0.003 0.000 0.299 284 F C 2.300 178.189 175.800 0.148 0.000 1.090 284 F CA 1.713 59.769 58.000 0.094 0.000 1.307 284 F CB -0.312 38.700 39.000 0.021 0.000 1.019 284 F HN 0.235 nan 8.300 nan 0.000 0.489 285 E N -0.159 120.055 120.200 0.024 0.000 2.058 285 E HA -0.269 4.083 4.350 0.003 0.000 0.194 285 E C 2.352 178.887 176.600 -0.108 0.000 0.997 285 E CA 1.378 57.719 56.400 -0.099 0.000 0.801 285 E CB -0.249 29.435 29.700 -0.027 0.000 0.746 285 E HN 0.323 nan 8.360 nan 0.000 0.450 286 R N 0.026 120.510 120.500 -0.027 0.000 2.092 286 R HA -0.149 4.193 4.340 0.003 0.000 0.231 286 R C 2.183 178.411 176.300 -0.119 0.000 1.119 286 R CA 1.077 57.130 56.100 -0.078 0.000 0.970 286 R CB -0.266 30.041 30.300 0.011 0.000 0.864 286 R HN 0.166 nan 8.270 nan 0.000 0.440 287 F N 0.625 120.527 119.950 -0.080 0.000 2.069 287 F HA -0.283 4.245 4.527 0.003 0.000 0.298 287 F C 2.131 177.849 175.800 -0.137 0.000 1.113 287 F CA 1.755 59.763 58.000 0.012 0.000 1.214 287 F CB -0.572 38.502 39.000 0.125 0.000 0.978 287 F HN 0.056 nan 8.300 nan 0.000 0.474 288 C N 0.687 119.839 119.300 -0.246 0.000 2.429 288 C HA -0.114 4.348 4.460 0.003 0.000 0.277 288 C C 2.821 177.609 174.990 -0.336 0.000 1.262 288 C CA 1.304 60.099 59.018 -0.371 0.000 1.733 288 C CB -1.370 26.105 27.740 -0.441 0.000 2.010 288 C HN 0.546 nan 8.230 nan 0.000 0.483 289 R N 0.945 121.266 120.500 -0.300 0.000 2.073 289 R HA -0.086 4.255 4.340 0.003 0.000 0.234 289 R C 2.286 178.381 176.300 -0.342 0.000 1.134 289 R CA 1.993 57.930 56.100 -0.272 0.000 0.952 289 R CB -0.680 29.481 30.300 -0.232 0.000 0.850 289 R HN 0.542 nan 8.270 nan 0.000 0.433 290 G N 0.969 109.446 108.800 -0.537 0.000 2.402 290 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 290 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 290 G C 1.281 176.004 174.900 -0.295 0.000 1.162 290 G CA 0.561 45.219 45.100 -0.737 0.000 0.777 290 G HN 0.290 nan 8.290 nan 0.000 0.539 291 L N 0.771 121.801 121.223 -0.323 0.000 2.012 291 L HA 0.021 4.362 4.340 0.003 0.000 0.210 291 L C 2.707 179.416 176.870 -0.269 0.000 1.073 291 L CA 2.052 56.689 54.840 -0.339 0.000 0.748 291 L CB -0.599 41.060 42.059 -0.666 0.000 0.891 291 L HN 0.146 nan 8.230 nan 0.000 0.431 292 K N -0.883 119.365 120.400 -0.254 0.000 2.097 292 K HA -0.158 4.164 4.320 0.003 0.000 0.206 292 K C 2.037 178.566 176.600 -0.119 0.000 1.049 292 K CA 1.240 57.425 56.287 -0.171 0.000 0.933 292 K CB -0.123 32.284 32.500 -0.154 0.000 0.717 292 K HN 0.274 nan 8.250 nan 0.000 0.442 293 E N 0.572 120.691 120.200 -0.135 0.000 2.072 293 E HA -0.124 4.228 4.350 0.003 0.000 0.191 293 E C 2.115 178.677 176.600 -0.064 0.000 0.985 293 E CA 0.779 57.123 56.400 -0.094 0.000 0.801 293 E CB -0.194 29.441 29.700 -0.108 0.000 0.750 293 E HN 0.029 nan 8.360 nan 0.000 0.452 294 V N 1.465 121.336 119.914 -0.071 0.000 2.295 294 V HA -0.253 3.869 4.120 0.003 0.000 0.246 294 V C 2.180 178.302 176.094 0.045 0.000 1.049 294 V CA 1.876 64.146 62.300 -0.049 0.000 1.024 294 V CB -0.382 31.401 31.823 -0.067 0.000 0.648 294 V HN 0.272 nan 8.190 nan 0.000 0.447 295 E N -0.245 119.978 120.200 0.039 0.000 2.038 295 E HA -0.272 4.080 4.350 0.003 0.000 0.195 295 E C 2.469 179.196 176.600 0.211 0.000 1.000 295 E CA 1.462 58.009 56.400 0.245 0.000 0.803 295 E CB -0.267 29.460 29.700 0.045 0.000 0.750 295 E HN 0.402 nan 8.360 nan 0.000 0.448 296 R N 0.799 121.344 120.500 0.074 0.000 2.091 296 R HA -0.166 4.176 4.340 0.003 0.000 0.238 296 R C 2.370 178.688 176.300 0.029 0.000 1.136 296 R CA 1.131 57.254 56.100 0.038 0.000 0.959 296 R CB -0.210 30.089 30.300 -0.002 0.000 0.856 296 R HN 0.173 nan 8.270 nan 0.000 0.437 297 L N 0.139 121.371 121.223 0.016 0.000 2.056 297 L HA -0.156 4.186 4.340 0.003 0.000 0.207 297 L C 2.388 179.263 176.870 0.008 0.000 1.078 297 L CA 1.083 55.921 54.840 -0.002 0.000 0.749 297 L CB -0.242 41.797 42.059 -0.033 0.000 0.901 297 L HN 0.243 nan 8.230 nan 0.000 0.433 298 I N -0.726 119.858 120.570 0.022 0.000 2.315 298 I HA -0.284 3.888 4.170 0.003 0.000 0.248 298 I C 2.514 178.645 176.117 0.023 0.000 1.117 298 I CA 1.195 62.489 61.300 -0.011 0.000 1.404 298 I CB -0.165 37.793 38.000 -0.071 0.000 1.071 298 I HN 0.320 nan 8.210 nan 0.000 0.419 299 Q N 0.317 120.128 119.800 0.018 0.000 2.119 299 Q HA -0.207 4.135 4.340 0.003 0.000 0.201 299 Q C 2.070 178.080 176.000 0.016 0.000 0.972 299 Q CA 1.147 56.958 55.803 0.012 0.000 0.847 299 Q CB -0.050 28.705 28.738 0.029 0.000 0.903 299 Q HN 0.445 nan 8.270 nan 0.000 0.433 300 E N 0.254 120.467 120.200 0.020 0.000 2.130 300 E HA -0.197 4.155 4.350 0.003 0.000 0.196 300 E C 1.711 178.323 176.600 0.019 0.000 0.998 300 E CA 0.759 57.166 56.400 0.011 0.000 0.806 300 E CB 0.168 29.873 29.700 0.009 0.000 0.738 300 E HN 0.197 nan 8.360 nan 0.000 0.459 301 R N -1.088 119.450 120.500 0.065 0.000 2.299 301 R HA 0.026 4.367 4.340 0.003 0.000 0.197 301 R C 1.394 177.720 176.300 0.043 0.000 0.971 301 R CA 0.851 57.017 56.100 0.110 0.000 1.030 301 R CB 0.666 31.102 30.300 0.227 0.000 0.932 301 R HN 0.330 nan 8.270 nan 0.000 0.477 302 G N -0.153 108.632 108.800 -0.025 0.000 2.184 302 G HA2 -0.189 3.772 3.960 0.003 0.000 0.206 302 G HA3 -0.189 3.772 3.960 0.003 0.000 0.206 302 G C -0.528 174.174 174.900 -0.330 0.000 0.995 302 G CA -0.405 44.572 45.100 -0.206 0.000 0.651 302 G HN 0.205 nan 8.290 nan 0.000 0.511 303 W N 1.361 122.575 121.300 -0.143 0.000 2.449 303 W HA 0.708 5.370 4.660 0.003 0.000 0.331 303 W C 0.633 176.995 176.519 -0.263 0.000 1.119 303 W CA -0.673 56.555 57.345 -0.195 0.000 1.240 303 W CB 0.756 30.071 29.460 -0.243 0.000 1.251 303 W HN 0.093 nan 8.180 nan 0.000 0.576 304 E N 1.050 121.250 120.200 0.001 0.000 2.222 304 E HA 0.439 4.790 4.350 0.003 0.000 0.267 304 E C -1.194 175.307 176.600 -0.165 0.000 0.963 304 E CA -1.095 55.263 56.400 -0.070 0.000 0.837 304 E CB 1.384 31.112 29.700 0.047 0.000 1.183 304 E HN 0.099 nan 8.360 nan 0.000 0.403 305 F N 0.907 120.988 119.950 0.217 0.000 2.375 305 F HA 0.265 4.794 4.527 0.003 0.000 0.333 305 F C 0.826 176.803 175.800 0.294 0.000 1.104 305 F CA -0.612 57.549 58.000 0.268 0.000 1.149 305 F CB 0.609 39.813 39.000 0.339 0.000 1.190 305 F HN 0.174 nan 8.300 nan 0.000 0.533 306 M N 2.873 122.754 119.600 0.468 0.000 2.307 306 M HA 0.069 4.551 4.480 0.003 0.000 0.346 306 M C -1.114 175.413 176.300 0.378 0.000 1.552 306 M CA 0.716 56.211 55.300 0.326 0.000 1.116 306 M CB 0.089 32.821 32.600 0.220 0.000 1.889 306 M HN 0.696 nan 8.290 nan 0.000 0.460 307 W N 5.910 127.230 121.300 0.034 0.000 3.479 307 W HA 0.476 5.137 4.660 0.003 0.000 0.304 307 W C -1.775 174.672 176.519 -0.121 0.000 1.243 307 W CA -0.583 56.671 57.345 -0.152 0.000 1.202 307 W CB 1.191 30.478 29.460 -0.287 0.000 1.346 307 W HN 0.720 nan 8.180 nan 0.000 0.539 308 N N 1.331 119.311 118.700 -1.199 0.000 2.647 308 N HA 0.266 5.008 4.740 0.003 0.000 0.266 308 N C 0.216 174.608 175.510 -1.863 0.000 1.373 308 N CA -0.331 51.877 53.050 -1.405 0.000 0.807 308 N CB 1.298 39.451 38.487 -0.557 0.000 1.513 308 N HN 0.592 nan 8.380 nan 0.000 0.505 309 E N -0.357 119.068 120.200 -1.293 0.000 2.268 309 E HA -0.093 4.259 4.350 0.003 0.000 0.195 309 E C 0.804 177.221 176.600 -0.306 0.000 0.995 309 E CA 0.730 56.743 56.400 -0.645 0.000 0.836 309 E CB -0.037 29.555 29.700 -0.180 0.000 0.763 309 E HN 0.519 nan 8.360 nan 0.000 0.491 310 R N 0.178 120.493 120.500 -0.307 0.000 2.156 310 R HA 0.215 4.557 4.340 0.003 0.000 0.207 310 R C 2.077 178.327 176.300 -0.083 0.000 1.040 310 R CA 0.490 56.529 56.100 -0.101 0.000 1.013 310 R CB 0.145 30.390 30.300 -0.092 0.000 0.931 310 R HN 0.222 nan 8.270 nan 0.000 0.465 311 L N -0.115 120.919 121.223 -0.315 0.000 2.616 311 L HA 0.240 4.582 4.340 0.003 0.000 0.229 311 L C 1.147 177.704 176.870 -0.522 0.000 1.110 311 L CA 0.213 54.815 54.840 -0.397 0.000 0.884 311 L CB 0.095 41.857 42.059 -0.495 0.000 1.115 311 L HN 0.340 nan 8.230 nan 0.000 0.481 312 G N 0.192 108.652 108.800 -0.566 0.000 2.550 312 G HA2 -0.356 3.606 3.960 0.003 0.000 0.277 312 G HA3 -0.356 3.606 3.960 0.003 0.000 0.277 312 G C -0.408 174.162 174.900 -0.549 0.000 1.190 312 G CA -0.080 44.717 45.100 -0.504 0.000 0.971 312 G HN 0.105 nan 8.290 nan 0.000 0.559 313 Y N 0.713 120.994 120.300 -0.031 0.000 2.402 313 Y HA 0.543 5.095 4.550 0.003 0.000 0.333 313 Y C 1.301 177.128 175.900 -0.120 0.000 1.076 313 Y CA -0.129 57.999 58.100 0.048 0.000 1.299 313 Y CB 0.582 39.089 38.460 0.079 0.000 1.197 313 Y HN 0.440 nan 8.280 nan 0.000 0.517 314 I N 5.522 126.113 120.570 0.035 0.000 2.371 314 I HA 0.259 4.431 4.170 0.003 0.000 0.290 314 I C -0.286 175.841 176.117 0.018 0.000 1.028 314 I CA 0.089 61.331 61.300 -0.096 0.000 1.345 314 I CB 0.457 38.399 38.000 -0.097 0.000 1.407 314 I HN 0.447 nan 8.210 nan 0.000 0.501 315 L N 4.254 125.477 121.223 0.000 0.000 2.277 315 L HA 0.402 4.744 4.340 0.003 0.000 0.254 315 L C 1.181 178.115 176.870 0.107 0.000 1.044 315 L CA -0.621 54.241 54.840 0.036 0.000 0.842 315 L CB 1.939 44.019 42.059 0.034 0.000 1.422 315 L HN 0.480 nan 8.230 nan 0.000 0.422 316 T N -1.194 113.394 114.554 0.058 0.000 2.720 316 T HA -0.155 4.197 4.350 0.003 0.000 0.268 316 T C 0.426 175.210 174.700 0.141 0.000 1.037 316 T CA 1.064 63.202 62.100 0.063 0.000 1.144 316 T CB -0.136 68.749 68.868 0.027 0.000 0.864 316 T HN 0.484 nan 8.240 nan 0.000 0.444 317 C N 2.149 121.544 119.300 0.158 0.000 2.329 317 C HA 0.437 4.899 4.460 0.003 0.000 0.329 317 C C -1.442 173.699 174.990 0.251 0.000 1.275 317 C CA -2.311 56.826 59.018 0.199 0.000 1.726 317 C CB 1.221 29.042 27.740 0.136 0.000 2.291 317 C HN 0.251 nan 8.230 nan 0.000 0.514 318 P HA -0.168 nan 4.420 nan 0.000 0.217 318 P C 1.593 179.117 177.300 0.374 0.000 1.148 318 P CA 2.162 65.483 63.100 0.369 0.000 0.834 318 P CB 0.021 32.010 31.700 0.483 0.000 0.783 319 S N -1.951 113.920 115.700 0.285 0.000 2.500 319 S HA -0.087 4.385 4.470 0.003 0.000 0.239 319 S C 1.449 176.211 174.600 0.269 0.000 0.989 319 S CA 0.940 59.281 58.200 0.235 0.000 0.951 319 S CB -0.923 62.312 63.200 0.058 0.000 0.759 319 S HN 0.095 nan 8.310 nan 0.000 0.523 320 N N 0.726 119.527 118.700 0.168 0.000 2.204 320 N HA 0.384 5.126 4.740 0.003 0.000 0.219 320 N C -0.071 175.430 175.510 -0.015 0.000 1.151 320 N CA -0.078 53.022 53.050 0.084 0.000 0.867 320 N CB 0.276 38.807 38.487 0.074 0.000 1.043 320 N HN 0.429 nan 8.380 nan 0.000 0.516 321 L N -0.575 120.585 121.223 -0.106 0.000 2.475 321 L HA 0.245 4.587 4.340 0.003 0.000 0.250 321 L C 1.838 178.453 176.870 -0.425 0.000 1.224 321 L CA 0.529 55.188 54.840 -0.301 0.000 0.821 321 L CB 0.023 41.826 42.059 -0.426 0.000 1.141 321 L HN 0.276 nan 8.230 nan 0.000 0.494 322 G N 0.116 108.578 108.800 -0.563 0.000 4.026 322 G HA2 -0.421 3.541 3.960 0.003 0.000 0.309 322 G HA3 -0.421 3.541 3.960 0.003 0.000 0.309 322 G C 0.863 175.475 174.900 -0.480 0.000 1.411 322 G CA 0.804 45.289 45.100 -1.026 0.000 1.037 322 G HN 0.784 nan 8.290 nan 0.000 0.687 323 T N -0.963 113.458 114.554 -0.223 0.000 3.037 323 T HA 0.433 4.785 4.350 0.003 0.000 0.252 323 T C 2.722 177.480 174.700 0.098 0.000 1.073 323 T CA 1.742 63.926 62.100 0.141 0.000 1.091 323 T CB 0.178 69.148 68.868 0.170 0.000 0.935 323 T HN 2.638 nan 8.240 nan 0.000 0.488 324 G N 1.489 110.298 108.800 0.015 0.000 2.200 324 G HA2 -0.274 3.688 3.960 0.003 0.000 0.267 324 G HA3 -0.274 3.688 3.960 0.003 0.000 0.267 324 G C -0.023 174.907 174.900 0.050 0.000 0.993 324 G CA 0.629 45.749 45.100 0.032 0.000 0.701 324 G HN 0.785 nan 8.290 nan 0.000 0.524 325 L N -0.027 121.225 121.223 0.048 0.000 2.290 325 L HA 0.701 5.043 4.340 0.003 0.000 0.284 325 L C 0.638 177.493 176.870 -0.024 0.000 1.078 325 L CA -0.858 53.990 54.840 0.012 0.000 0.815 325 L CB 0.805 42.870 42.059 0.010 0.000 1.162 325 L HN 0.173 nan 8.230 nan 0.000 0.435 326 R N 4.714 125.181 120.500 -0.056 0.000 2.358 326 R HA 0.606 4.948 4.340 0.003 0.000 0.309 326 R C -1.149 175.088 176.300 -0.105 0.000 1.026 326 R CA -0.449 55.620 56.100 -0.053 0.000 0.909 326 R CB 1.238 31.528 30.300 -0.016 0.000 1.153 326 R HN 0.743 nan 8.270 nan 0.000 0.515 327 A N 2.519 125.266 122.820 -0.122 0.000 2.290 327 A HA 0.795 5.116 4.320 0.003 0.000 0.310 327 A C -0.187 177.362 177.584 -0.058 0.000 1.202 327 A CA -0.180 51.777 52.037 -0.133 0.000 0.837 327 A CB 1.413 20.298 19.000 -0.191 0.000 1.139 327 A HN 0.837 nan 8.150 nan 0.000 0.509 328 G N -0.384 108.398 108.800 -0.031 0.000 2.606 328 G HA2 0.717 4.679 3.960 0.003 0.000 0.300 328 G HA3 0.717 4.679 3.960 0.003 0.000 0.300 328 G C -0.975 173.929 174.900 0.007 0.000 1.360 328 G CA 0.196 45.292 45.100 -0.006 0.000 0.783 328 G HN 1.947 nan 8.290 nan 0.000 0.484 329 V N -3.255 116.661 119.914 0.004 0.000 3.114 329 V HA 0.692 4.813 4.120 0.003 0.000 0.308 329 V C -0.922 175.235 176.094 0.106 0.000 1.168 329 V CA -1.152 61.154 62.300 0.010 0.000 1.015 329 V CB 1.635 33.407 31.823 -0.084 0.000 1.050 329 V HN 0.892 nan 8.190 nan 0.000 0.433 330 H N 0.435 119.477 119.070 -0.046 0.000 2.552 330 H HA 0.750 5.308 4.556 0.003 0.000 0.311 330 H C -0.987 174.336 175.328 -0.009 0.000 1.071 330 H CA -0.472 55.547 56.048 -0.047 0.000 1.307 330 H CB 1.991 31.692 29.762 -0.102 0.000 1.416 330 H HN 0.620 nan 8.280 nan 0.000 0.464 331 V N 5.566 125.554 119.914 0.122 0.000 2.623 331 V HA 0.220 4.341 4.120 0.003 0.000 0.304 331 V C -0.584 175.586 176.094 0.127 0.000 1.054 331 V CA -0.807 61.554 62.300 0.101 0.000 0.882 331 V CB 1.722 33.570 31.823 0.041 0.000 1.002 331 V HN 0.755 nan 8.190 nan 0.000 0.424 332 R N 7.082 127.658 120.500 0.128 0.000 2.248 332 R HA 0.442 4.783 4.340 0.003 0.000 0.337 332 R C -0.121 176.268 176.300 0.150 0.000 1.085 332 R CA -0.138 56.032 56.100 0.117 0.000 0.934 332 R CB 0.214 30.550 30.300 0.060 0.000 1.034 332 R HN 0.807 nan 8.270 nan 0.000 0.465 333 I N 3.162 123.789 120.570 0.094 0.000 2.956 333 I HA 0.356 4.528 4.170 0.003 0.000 0.311 333 I C -2.173 173.880 176.117 -0.107 0.000 1.436 333 I CA -2.262 59.014 61.300 -0.040 0.000 0.872 333 I CB 1.508 39.384 38.000 -0.207 0.000 2.099 333 I HN 0.350 nan 8.210 nan 0.000 0.624 334 P HA -0.200 nan 4.420 nan 0.000 0.215 334 P C 1.576 178.824 177.300 -0.088 0.000 1.157 334 P CA 1.669 64.755 63.100 -0.023 0.000 0.874 334 P CB 0.116 31.817 31.700 0.002 0.000 0.790 335 K N -0.516 119.825 120.400 -0.099 0.000 2.007 335 K HA -0.059 4.263 4.320 0.003 0.000 0.206 335 K C 2.374 178.847 176.600 -0.211 0.000 1.047 335 K CA 1.062 57.277 56.287 -0.119 0.000 0.937 335 K CB -1.734 30.714 32.500 -0.087 0.000 0.718 335 K HN 0.103 nan 8.250 nan 0.000 0.438 336 L N 1.997 123.037 121.223 -0.305 0.000 2.079 336 L HA -0.161 4.181 4.340 0.003 0.000 0.210 336 L C 2.346 178.702 176.870 -0.857 0.000 1.081 336 L CA 2.423 56.975 54.840 -0.480 0.000 0.752 336 L CB -0.852 40.907 42.059 -0.501 0.000 0.896 336 L HN 0.444 nan 8.230 nan 0.000 0.433 337 S N -1.213 113.926 115.700 -0.935 0.000 2.399 337 S HA -0.223 4.249 4.470 0.003 0.000 0.231 337 S C 1.928 176.333 174.600 -0.325 0.000 1.022 337 S CA 1.289 58.894 58.200 -0.992 0.000 0.983 337 S CB -0.587 62.224 63.200 -0.647 0.000 0.803 337 S HN 0.561 nan 8.310 nan 0.000 0.480 338 K N 1.269 121.546 120.400 -0.205 0.000 2.366 338 K HA 0.127 4.448 4.320 0.003 0.000 0.198 338 K C 0.507 177.079 176.600 -0.048 0.000 1.044 338 K CA 0.342 56.588 56.287 -0.069 0.000 0.973 338 K CB -0.095 32.375 32.500 -0.050 0.000 0.767 338 K HN 0.440 nan 8.250 nan 0.000 0.475 339 D N 1.645 121.988 120.400 -0.094 0.000 2.425 339 D HA -0.006 4.636 4.640 0.003 0.000 0.247 339 D C -1.618 174.710 176.300 0.047 0.000 1.147 339 D CA -1.563 52.417 54.000 -0.033 0.000 0.879 339 D CB 1.349 42.113 40.800 -0.060 0.000 1.179 339 D HN -0.042 nan 8.370 nan 0.000 0.456 340 P HA -0.056 nan 4.420 nan 0.000 0.226 340 P C 0.843 178.189 177.300 0.077 0.000 1.153 340 P CA 0.661 63.797 63.100 0.060 0.000 0.777 340 P CB 0.297 32.019 31.700 0.036 0.000 0.794 341 R N -2.101 118.448 120.500 0.082 0.000 2.299 341 R HA 0.062 4.404 4.340 0.003 0.000 0.197 341 R C 1.927 178.314 176.300 0.145 0.000 0.971 341 R CA -0.084 56.068 56.100 0.087 0.000 1.030 341 R CB -0.708 29.634 30.300 0.071 0.000 0.932 341 R HN 0.061 nan 8.270 nan 0.000 0.477 342 F N 2.071 122.005 119.950 -0.027 0.000 2.063 342 F HA -0.320 4.209 4.527 0.003 0.000 0.298 342 F C 2.191 177.970 175.800 -0.034 0.000 1.109 342 F CA 2.022 59.993 58.000 -0.047 0.000 1.212 342 F CB -0.734 38.213 39.000 -0.088 0.000 0.973 342 F HN -0.003 nan 8.300 nan 0.000 0.480 343 S N -0.869 114.763 115.700 -0.114 0.000 2.423 343 S HA -0.187 4.285 4.470 0.003 0.000 0.231 343 S C 2.062 176.581 174.600 -0.135 0.000 1.014 343 S CA 1.146 59.196 58.200 -0.249 0.000 0.965 343 S CB -0.546 62.566 63.200 -0.147 0.000 0.785 343 S HN 0.494 nan 8.310 nan 0.000 0.495 344 K N 1.083 121.454 120.400 -0.047 0.000 2.116 344 K HA 0.197 4.518 4.320 0.003 0.000 0.203 344 K C 1.943 178.529 176.600 -0.022 0.000 1.052 344 K CA 0.846 57.117 56.287 -0.026 0.000 0.952 344 K CB -0.289 32.212 32.500 0.000 0.000 0.729 344 K HN 0.374 nan 8.250 nan 0.000 0.446 345 I N 1.101 121.679 120.570 0.013 0.000 2.099 345 I HA -0.366 3.806 4.170 0.003 0.000 0.239 345 I C 2.093 178.197 176.117 -0.021 0.000 1.066 345 I CA 1.408 62.732 61.300 0.039 0.000 1.324 345 I CB -0.312 37.790 38.000 0.170 0.000 1.037 345 I HN 0.172 nan 8.210 nan 0.000 0.401 346 L N 0.561 121.734 121.223 -0.084 0.000 1.990 346 L HA -0.273 4.069 4.340 0.003 0.000 0.213 346 L C 3.166 179.979 176.870 -0.095 0.000 1.072 346 L CA 2.131 56.893 54.840 -0.130 0.000 0.755 346 L CB -1.483 40.402 42.059 -0.291 0.000 0.889 346 L HN 0.388 nan 8.230 nan 0.000 0.432 347 E N 0.885 121.028 120.200 -0.095 0.000 2.065 347 E HA -0.315 4.037 4.350 0.003 0.000 0.201 347 E C 1.838 178.407 176.600 -0.051 0.000 1.016 347 E CA 2.123 58.484 56.400 -0.064 0.000 0.818 347 E CB -1.096 28.572 29.700 -0.054 0.000 0.749 347 E HN 0.555 nan 8.360 nan 0.000 0.453 348 N N 0.074 118.742 118.700 -0.053 0.000 2.223 348 N HA -0.018 4.724 4.740 0.003 0.000 0.185 348 N C 1.690 177.159 175.510 -0.069 0.000 1.016 348 N CA 1.178 54.193 53.050 -0.058 0.000 0.863 348 N CB -0.160 38.285 38.487 -0.070 0.000 0.983 348 N HN 0.461 nan 8.380 nan 0.000 0.429 349 L N 0.376 121.555 121.223 -0.072 0.000 2.599 349 L HA 0.169 4.511 4.340 0.003 0.000 0.230 349 L C -0.020 176.825 176.870 -0.041 0.000 1.141 349 L CA -0.044 54.756 54.840 -0.067 0.000 0.877 349 L CB -0.039 41.987 42.059 -0.056 0.000 1.009 349 L HN 0.034 nan 8.230 nan 0.000 0.447 350 R N 0.296 120.774 120.500 -0.037 0.000 3.422 350 R HA -0.145 4.197 4.340 0.003 0.000 0.267 350 R C -0.687 175.598 176.300 -0.025 0.000 1.074 350 R CA 0.701 56.786 56.100 -0.024 0.000 0.718 350 R CB -2.776 27.519 30.300 -0.008 0.000 1.157 350 R HN 0.341 nan 8.270 nan 0.000 0.440 351 L N -0.221 120.978 121.223 -0.039 0.000 2.330 351 L HA 0.497 4.839 4.340 0.003 0.000 0.271 351 L C 0.599 177.436 176.870 -0.055 0.000 1.013 351 L CA -0.731 54.086 54.840 -0.039 0.000 0.816 351 L CB 2.004 44.041 42.059 -0.036 0.000 1.287 351 L HN 0.093 nan 8.230 nan 0.000 0.435 352 Q N 2.000 121.778 119.800 -0.038 0.000 2.365 352 Q HA 0.408 4.750 4.340 0.003 0.000 0.269 352 Q C -1.415 174.576 176.000 -0.014 0.000 1.061 352 Q CA -0.901 54.881 55.803 -0.034 0.000 0.816 352 Q CB 2.458 31.190 28.738 -0.009 0.000 1.325 352 Q HN 0.577 nan 8.270 nan 0.000 0.446 353 K N 2.680 123.070 120.400 -0.016 0.000 2.138 353 K HA 0.660 4.982 4.320 0.003 0.000 0.263 353 K C -0.701 175.964 176.600 0.108 0.000 0.965 353 K CA -0.760 55.574 56.287 0.077 0.000 0.868 353 K CB 2.007 34.567 32.500 0.099 0.000 1.083 353 K HN 0.479 nan 8.250 nan 0.000 0.443 354 R N 0.806 121.368 120.500 0.103 0.000 2.855 354 R HA 0.392 4.734 4.340 0.003 0.000 0.266 354 R C -0.050 176.186 176.300 -0.106 0.000 1.034 354 R CA -1.103 55.005 56.100 0.013 0.000 0.944 354 R CB 1.913 32.229 30.300 0.027 0.000 1.219 354 R HN 0.888 nan 8.270 nan 0.000 0.474 355 G N -0.475 108.156 108.800 -0.282 0.000 2.621 355 G HA2 0.095 4.057 3.960 0.003 0.000 0.271 355 G HA3 0.095 4.057 3.960 0.003 0.000 0.271 355 G C 0.576 175.282 174.900 -0.323 0.000 1.236 355 G CA -0.331 44.524 45.100 -0.408 0.000 0.958 355 G HN 0.516 nan 8.290 nan 0.000 0.512 356 T N -0.080 114.241 114.554 -0.388 0.000 2.867 356 T HA -0.020 4.332 4.350 0.003 0.000 0.268 356 T C 2.095 176.732 174.700 -0.106 0.000 1.057 356 T CA 1.294 63.118 62.100 -0.459 0.000 1.136 356 T CB -0.065 68.581 68.868 -0.370 0.000 0.874 356 T HN 0.599 nan 8.240 nan 0.000 0.466 357 G N 0.348 109.133 108.800 -0.025 0.000 3.314 357 G HA2 0.502 4.464 3.960 0.003 0.000 0.238 357 G HA3 0.502 4.464 3.960 0.003 0.000 0.238 357 G C 0.673 175.626 174.900 0.089 0.000 1.184 357 G CA 0.067 45.234 45.100 0.112 0.000 0.806 357 G HN 0.808 nan 8.290 nan 0.000 0.536 358 G N -1.044 107.785 108.800 0.048 0.000 2.610 358 G HA2 -0.108 3.854 3.960 0.003 0.000 0.304 358 G HA3 -0.108 3.854 3.960 0.003 0.000 0.304 358 G C 0.861 175.768 174.900 0.011 0.000 1.309 358 G CA -0.016 45.127 45.100 0.071 0.000 0.906 358 G HN 0.807 nan 8.290 nan 0.000 0.521 359 V N 0.166 120.125 119.914 0.076 0.000 2.453 359 V HA -0.092 4.030 4.120 0.003 0.000 0.252 359 V C 1.844 178.081 176.094 0.239 0.000 1.068 359 V CA 3.213 65.585 62.300 0.120 0.000 1.070 359 V CB -0.368 31.519 31.823 0.107 0.000 0.664 359 V HN 0.653 nan 8.190 nan 0.000 0.461 360 D N 0.149 120.662 120.400 0.189 0.000 2.342 360 D HA 0.141 4.783 4.640 0.003 0.000 0.221 360 D C 0.820 177.160 176.300 0.066 0.000 1.101 360 D CA 0.817 54.984 54.000 0.278 0.000 0.837 360 D CB 0.284 41.221 40.800 0.229 0.000 0.938 360 D HN 0.728 nan 8.370 nan 0.000 0.508 361 T N -2.718 111.658 114.554 -0.297 0.000 2.926 361 T HA 0.740 5.092 4.350 0.003 0.000 0.289 361 T C -0.123 173.976 174.700 -1.002 0.000 1.054 361 T CA -0.931 60.902 62.100 -0.445 0.000 1.015 361 T CB 2.564 71.301 68.868 -0.218 0.000 1.167 361 T HN -0.075 nan 8.240 nan 0.000 0.526 362 A N 0.851 123.287 122.820 -0.640 0.000 2.279 362 A HA 0.802 5.124 4.320 0.003 0.000 0.303 362 A C 0.708 178.028 177.584 -0.439 0.000 1.108 362 A CA -0.537 51.187 52.037 -0.522 0.000 0.830 362 A CB -0.151 18.762 19.000 -0.145 0.000 1.106 362 A HN 1.547 nan 8.150 nan 0.000 0.493 363 A N 0.883 123.389 122.820 -0.525 0.000 2.492 363 A HA 0.494 4.816 4.320 0.003 0.000 0.254 363 A C -0.107 177.240 177.584 -0.396 0.000 1.091 363 A CA -0.006 51.608 52.037 -0.705 0.000 0.768 363 A CB -0.403 17.641 19.000 -1.593 0.000 1.028 363 A HN 0.973 nan 8.150 nan 0.000 0.498 364 V N 2.502 122.232 119.914 -0.307 0.000 2.459 364 V HA 0.567 4.689 4.120 0.003 0.000 0.295 364 V C 0.969 176.979 176.094 -0.139 0.000 1.029 364 V CA 0.560 62.756 62.300 -0.174 0.000 0.874 364 V CB 0.850 32.594 31.823 -0.132 0.000 0.985 364 V HN 2.140 nan 8.190 nan 0.000 0.438 365 A N 3.955 126.726 122.820 -0.081 0.000 2.887 365 A HA -0.192 4.130 4.320 0.003 0.000 0.257 365 A C 0.787 178.355 177.584 -0.028 0.000 1.372 365 A CA 0.848 52.857 52.037 -0.047 0.000 0.879 365 A CB -1.931 17.043 19.000 -0.045 0.000 1.082 365 A HN 1.152 nan 8.150 nan 0.000 0.703 366 D N -3.180 117.206 120.400 -0.023 0.000 3.012 366 D HA -0.180 4.462 4.640 0.003 0.000 0.222 366 D C 0.038 176.412 176.300 0.122 0.000 1.167 366 D CA 1.271 55.330 54.000 0.098 0.000 0.854 366 D CB -1.884 38.987 40.800 0.117 0.000 1.107 366 D HN 0.923 nan 8.370 nan 0.000 0.421 367 V N 1.545 121.412 119.914 -0.078 0.000 2.368 367 V HA 0.194 4.316 4.120 0.003 0.000 0.266 367 V C 0.179 176.120 176.094 -0.255 0.000 1.045 367 V CA -0.234 62.005 62.300 -0.101 0.000 0.899 367 V CB 0.317 32.029 31.823 -0.186 0.000 1.006 367 V HN -0.007 nan 8.190 nan 0.000 0.470 368 Y N 2.156 122.391 120.300 -0.108 0.000 2.387 368 Y HA 0.396 4.948 4.550 0.003 0.000 0.336 368 Y C 0.449 176.315 175.900 -0.057 0.000 1.067 368 Y CA -1.225 56.835 58.100 -0.067 0.000 1.114 368 Y CB 1.241 39.747 38.460 0.077 0.000 1.208 368 Y HN 0.586 nan 8.280 nan 0.000 0.458 369 D N 3.739 124.179 120.400 0.067 0.000 2.365 369 D HA 0.181 4.822 4.640 0.003 0.000 0.237 369 D C -0.920 175.471 176.300 0.151 0.000 1.190 369 D CA 0.029 54.135 54.000 0.176 0.000 0.867 369 D CB 0.220 41.110 40.800 0.151 0.000 1.050 369 D HN 0.260 nan 8.370 nan 0.000 0.491 370 I N 3.129 123.774 120.570 0.124 0.000 2.404 370 I HA 0.314 4.486 4.170 0.003 0.000 0.293 370 I C 0.315 176.450 176.117 0.029 0.000 0.992 370 I CA -0.581 60.764 61.300 0.074 0.000 1.149 370 I CB 1.026 39.063 38.000 0.060 0.000 1.315 370 I HN 0.438 nan 8.210 nan 0.000 0.446 371 S N 4.999 120.708 115.700 0.015 0.000 2.607 371 S HA 0.484 4.956 4.470 0.003 0.000 0.273 371 S C -0.758 173.836 174.600 -0.009 0.000 1.148 371 S CA -1.103 57.096 58.200 -0.001 0.000 0.833 371 S CB 2.005 65.206 63.200 0.002 0.000 1.130 371 S HN 0.627 nan 8.310 nan 0.000 0.470 372 N N 0.584 119.274 118.700 -0.017 0.000 2.458 372 N HA 0.032 4.774 4.740 0.003 0.000 0.258 372 N C 0.495 176.003 175.510 -0.004 0.000 1.219 372 N CA -0.317 52.725 53.050 -0.013 0.000 0.902 372 N CB 0.818 39.293 38.487 -0.020 0.000 1.076 372 N HN 0.771 nan 8.380 nan 0.000 0.455 373 I N -0.139 120.429 120.570 -0.004 0.000 2.852 373 I HA -0.013 4.159 4.170 0.003 0.000 0.264 373 I C -0.195 175.929 176.117 0.011 0.000 1.179 373 I CA 0.399 61.695 61.300 -0.008 0.000 1.480 373 I CB 0.148 38.133 38.000 -0.026 0.000 1.111 373 I HN 0.450 nan 8.210 nan 0.000 0.441 374 D N 0.695 121.124 120.400 0.048 0.000 2.229 374 D HA 0.317 4.959 4.640 0.003 0.000 0.249 374 D C 0.457 176.843 176.300 0.144 0.000 1.027 374 D CA -0.219 53.867 54.000 0.143 0.000 0.923 374 D CB 1.239 42.117 40.800 0.130 0.000 1.174 374 D HN 0.193 nan 8.370 nan 0.000 0.443 375 R N 0.378 121.003 120.500 0.209 0.000 2.555 375 R HA 0.357 4.699 4.340 0.003 0.000 0.312 375 R C 0.113 176.301 176.300 -0.187 0.000 0.938 375 R CA -0.207 55.906 56.100 0.023 0.000 1.112 375 R CB 1.279 31.608 30.300 0.048 0.000 1.535 375 R HN 0.340 nan 8.270 nan 0.000 0.525 376 I N -0.419 119.936 120.570 -0.357 0.000 2.689 376 I HA 0.443 4.614 4.170 0.003 0.000 0.299 376 I C 0.362 176.210 176.117 -0.449 0.000 1.059 376 I CA 0.133 61.039 61.300 -0.657 0.000 1.055 376 I CB 2.087 39.403 38.000 -1.140 0.000 1.243 376 I HN 0.330 nan 8.210 nan 0.000 0.425 377 G N 5.072 113.719 108.800 -0.255 0.000 2.225 377 G HA2 -0.182 3.780 3.960 0.003 0.000 0.254 377 G HA3 -0.182 3.780 3.960 0.003 0.000 0.254 377 G C 0.079 175.043 174.900 0.107 0.000 0.988 377 G CA -0.271 44.855 45.100 0.044 0.000 0.625 377 G HN 0.511 nan 8.290 nan 0.000 0.527 378 R N 0.712 121.270 120.500 0.095 0.000 2.621 378 R HA 0.651 4.993 4.340 0.003 0.000 0.292 378 R C 0.586 176.941 176.300 0.093 0.000 0.969 378 R CA 0.137 56.279 56.100 0.070 0.000 0.887 378 R CB 1.586 31.921 30.300 0.059 0.000 1.180 378 R HN 0.594 nan 8.270 nan 0.000 0.450 379 S N 0.701 116.421 115.700 0.032 0.000 2.634 379 S HA 0.080 4.552 4.470 0.003 0.000 0.261 379 S C 0.883 175.543 174.600 0.100 0.000 1.271 379 S CA -0.331 57.898 58.200 0.049 0.000 0.985 379 S CB 0.969 64.183 63.200 0.023 0.000 0.968 379 S HN 0.510 nan 8.310 nan 0.000 0.568 380 E N 0.370 120.668 120.200 0.164 0.000 2.077 380 E HA -0.064 4.288 4.350 0.003 0.000 0.193 380 E C 2.006 178.629 176.600 0.038 0.000 0.989 380 E CA 1.271 57.776 56.400 0.175 0.000 0.800 380 E CB -0.667 29.265 29.700 0.387 0.000 0.746 380 E HN 0.468 nan 8.360 nan 0.000 0.452 381 V N 1.105 121.108 119.914 0.147 0.000 2.255 381 V HA -0.309 3.813 4.120 0.003 0.000 0.247 381 V C 2.053 178.111 176.094 -0.060 0.000 1.051 381 V CA 2.115 64.449 62.300 0.057 0.000 1.018 381 V CB -0.465 31.459 31.823 0.168 0.000 0.641 381 V HN 0.279 nan 8.190 nan 0.000 0.445 382 E N -0.218 119.978 120.200 -0.006 0.000 2.085 382 E HA -0.233 4.119 4.350 0.003 0.000 0.194 382 E C 2.202 178.776 176.600 -0.043 0.000 0.994 382 E CA 1.479 57.870 56.400 -0.014 0.000 0.801 382 E CB -0.217 29.490 29.700 0.011 0.000 0.743 382 E HN 0.515 nan 8.360 nan 0.000 0.453 383 L N 0.180 121.370 121.223 -0.055 0.000 2.093 383 L HA -0.151 4.191 4.340 0.003 0.000 0.208 383 L C 2.414 179.200 176.870 -0.139 0.000 1.085 383 L CA 0.560 55.357 54.840 -0.071 0.000 0.755 383 L CB -0.252 41.777 42.059 -0.051 0.000 0.904 383 L HN 0.056 nan 8.230 nan 0.000 0.435 384 V N -0.561 119.189 119.914 -0.272 0.000 2.427 384 V HA -0.270 3.852 4.120 0.003 0.000 0.248 384 V C 2.429 178.409 176.094 -0.190 0.000 1.051 384 V CA 1.569 63.648 62.300 -0.367 0.000 1.048 384 V CB -0.366 30.927 31.823 -0.884 0.000 0.666 384 V HN 0.413 nan 8.190 nan 0.000 0.456 385 Q N 0.242 119.956 119.800 -0.143 0.000 2.079 385 Q HA -0.127 4.215 4.340 0.003 0.000 0.200 385 Q C 1.950 177.940 176.000 -0.018 0.000 0.974 385 Q CA 1.852 57.619 55.803 -0.060 0.000 0.840 385 Q CB -0.451 28.264 28.738 -0.038 0.000 0.898 385 Q HN 0.634 nan 8.270 nan 0.000 0.430 386 I N -0.810 119.744 120.570 -0.026 0.000 2.163 386 I HA -0.278 3.894 4.170 0.003 0.000 0.243 386 I C 2.223 178.347 176.117 0.012 0.000 1.085 386 I CA 1.216 62.511 61.300 -0.008 0.000 1.347 386 I CB -0.453 37.539 38.000 -0.014 0.000 1.044 386 I HN 0.158 nan 8.210 nan 0.000 0.408 387 V N 1.092 121.009 119.914 0.006 0.000 2.358 387 V HA -0.252 3.870 4.120 0.003 0.000 0.246 387 V C 2.272 178.453 176.094 0.145 0.000 1.047 387 V CA 1.829 64.155 62.300 0.042 0.000 1.035 387 V CB -0.143 31.695 31.823 0.025 0.000 0.658 387 V HN 0.282 nan 8.190 nan 0.000 0.452 388 I N 0.310 120.999 120.570 0.199 0.000 2.127 388 I HA -0.241 3.930 4.170 0.003 0.000 0.241 388 I C 2.337 178.632 176.117 0.297 0.000 1.075 388 I CA 2.202 63.719 61.300 0.362 0.000 1.334 388 I CB -0.586 37.473 38.000 0.098 0.000 1.040 388 I HN 0.348 nan 8.210 nan 0.000 0.405 389 D N 0.802 121.290 120.400 0.147 0.000 2.117 389 D HA -0.135 4.507 4.640 0.003 0.000 0.197 389 D C 2.142 178.519 176.300 0.128 0.000 0.987 389 D CA 1.585 55.657 54.000 0.119 0.000 0.829 389 D CB -0.598 40.237 40.800 0.060 0.000 0.961 389 D HN 0.417 nan 8.370 nan 0.000 0.460 390 G N 0.427 109.281 108.800 0.091 0.000 2.394 390 G HA2 -0.162 3.799 3.960 0.003 0.000 0.214 390 G HA3 -0.162 3.799 3.960 0.003 0.000 0.214 390 G C 1.850 176.797 174.900 0.079 0.000 1.176 390 G CA 0.610 45.756 45.100 0.077 0.000 0.786 390 G HN 0.229 nan 8.290 nan 0.000 0.533 391 V N 1.559 121.473 119.914 0.001 0.000 2.358 391 V HA -0.184 3.938 4.120 0.003 0.000 0.246 391 V C 2.680 178.712 176.094 -0.104 0.000 1.047 391 V CA 1.755 63.953 62.300 -0.171 0.000 1.035 391 V CB -0.479 30.981 31.823 -0.605 0.000 0.658 391 V HN 0.298 nan 8.190 nan 0.000 0.452 392 N N -0.501 118.241 118.700 0.071 0.000 2.104 392 N HA -0.228 4.514 4.740 0.003 0.000 0.190 392 N C 1.784 177.323 175.510 0.048 0.000 1.024 392 N CA 1.865 54.984 53.050 0.115 0.000 0.853 392 N CB -0.483 38.122 38.487 0.196 0.000 1.008 392 N HN 0.621 nan 8.380 nan 0.000 0.424 393 Y N 1.614 121.908 120.300 -0.010 0.000 2.181 393 Y HA -0.066 4.486 4.550 0.003 0.000 0.288 393 Y C 2.249 178.116 175.900 -0.055 0.000 1.146 393 Y CA 1.255 59.340 58.100 -0.025 0.000 1.164 393 Y CB -0.283 38.171 38.460 -0.010 0.000 0.982 393 Y HN -0.002 nan 8.280 nan 0.000 0.515 394 L N -1.536 119.701 121.223 0.024 0.000 2.093 394 L HA -0.199 4.142 4.340 0.003 0.000 0.208 394 L C 2.267 179.007 176.870 -0.217 0.000 1.085 394 L CA 0.921 55.726 54.840 -0.058 0.000 0.755 394 L CB -0.737 41.330 42.059 0.013 0.000 0.904 394 L HN 0.078 nan 8.230 nan 0.000 0.435 395 V N -0.103 119.666 119.914 -0.240 0.000 2.427 395 V HA -0.296 3.826 4.120 0.003 0.000 0.248 395 V C 2.318 178.134 176.094 -0.463 0.000 1.051 395 V CA 2.004 64.062 62.300 -0.403 0.000 1.048 395 V CB -0.507 31.140 31.823 -0.293 0.000 0.666 395 V HN 0.563 nan 8.190 nan 0.000 0.456 396 D N -0.415 119.777 120.400 -0.347 0.000 2.117 396 D HA -0.187 4.455 4.640 0.003 0.000 0.198 396 D C 2.155 178.234 176.300 -0.368 0.000 0.982 396 D CA 1.843 55.640 54.000 -0.338 0.000 0.828 396 D CB 0.070 40.669 40.800 -0.335 0.000 0.967 396 D HN 0.494 nan 8.370 nan 0.000 0.464 397 C N 0.586 119.627 119.300 -0.431 0.000 2.413 397 C HA -0.118 4.344 4.460 0.003 0.000 0.276 397 C C 2.617 177.450 174.990 -0.261 0.000 1.248 397 C CA 0.986 59.804 59.018 -0.334 0.000 1.742 397 C CB -1.024 26.547 27.740 -0.282 0.000 2.017 397 C HN 0.467 nan 8.230 nan 0.000 0.481 398 E N 1.088 121.107 120.200 -0.303 0.000 2.150 398 E HA -0.138 4.214 4.350 0.003 0.000 0.193 398 E C 2.046 178.514 176.600 -0.221 0.000 0.985 398 E CA 1.369 57.611 56.400 -0.262 0.000 0.814 398 E CB -0.165 29.357 29.700 -0.297 0.000 0.752 398 E HN 0.525 nan 8.360 nan 0.000 0.466 399 K N 0.040 120.257 120.400 -0.305 0.000 2.062 399 K HA -0.052 4.270 4.320 0.003 0.000 0.205 399 K C 2.154 178.689 176.600 -0.108 0.000 1.051 399 K CA 1.265 57.449 56.287 -0.172 0.000 0.941 399 K CB -0.005 32.380 32.500 -0.192 0.000 0.719 399 K HN 0.006 nan 8.250 nan 0.000 0.440 400 K N 0.897 121.215 120.400 -0.138 0.000 2.026 400 K HA -0.091 4.231 4.320 0.003 0.000 0.208 400 K C 2.089 178.641 176.600 -0.081 0.000 1.048 400 K CA 1.169 57.394 56.287 -0.103 0.000 0.929 400 K CB -0.171 32.257 32.500 -0.121 0.000 0.713 400 K HN 0.063 nan 8.250 nan 0.000 0.439 401 L N 1.013 122.179 121.223 -0.094 0.000 2.127 401 L HA -0.236 4.105 4.340 0.003 0.000 0.211 401 L C 2.953 179.793 176.870 -0.049 0.000 1.089 401 L CA 1.802 56.598 54.840 -0.073 0.000 0.757 401 L CB -0.827 41.177 42.059 -0.091 0.000 0.899 401 L HN 0.408 nan 8.230 nan 0.000 0.434 402 E N 0.599 120.775 120.200 -0.040 0.000 2.107 402 E HA -0.159 4.192 4.350 0.003 0.000 0.191 402 E C 2.451 179.041 176.600 -0.016 0.000 0.982 402 E CA 1.315 57.708 56.400 -0.013 0.000 0.809 402 E CB -0.855 28.860 29.700 0.025 0.000 0.756 402 E HN 0.579 nan 8.360 nan 0.000 0.459 403 R N -0.328 120.158 120.500 -0.024 0.000 2.316 403 R HA 0.373 4.714 4.340 0.003 0.000 0.202 403 R C 2.376 178.662 176.300 -0.024 0.000 1.029 403 R CA 1.351 57.437 56.100 -0.023 0.000 1.018 403 R CB -1.147 29.137 30.300 -0.028 0.000 0.888 403 R HN 1.557 nan 8.270 nan 0.000 0.471 404 G N -3.777 105.006 108.800 -0.027 0.000 2.176 404 G HA2 -0.038 3.924 3.960 0.003 0.000 0.253 404 G HA3 -0.038 3.924 3.960 0.003 0.000 0.253 404 G C 0.605 175.489 174.900 -0.027 0.000 0.979 404 G CA 1.176 46.262 45.100 -0.025 0.000 0.641 404 G HN 1.425 nan 8.290 nan 0.000 0.530 405 Q N -0.324 119.457 119.800 -0.033 0.000 2.414 405 Q HA 0.639 4.981 4.340 0.003 0.000 0.206 405 Q C 0.330 176.309 176.000 -0.035 0.000 1.058 405 Q CA 1.189 56.973 55.803 -0.032 0.000 1.025 405 Q CB -0.090 28.626 28.738 -0.036 0.000 1.196 405 Q HN 1.915 nan 8.270 nan 0.000 0.586 406 D N -0.267 120.115 120.400 -0.029 0.000 2.163 406 D HA 0.603 5.245 4.640 0.003 0.000 0.248 406 D C 0.156 176.438 176.300 -0.030 0.000 1.035 406 D CA 0.041 54.026 54.000 -0.024 0.000 0.872 406 D CB 0.651 41.444 40.800 -0.012 0.000 1.183 406 D HN 1.119 nan 8.370 nan 0.000 0.445 407 I N -3.591 116.963 120.570 -0.027 0.000 2.707 407 I HA 0.844 5.016 4.170 0.003 0.000 0.309 407 I C 0.261 176.396 176.117 0.029 0.000 1.001 407 I CA -1.116 60.169 61.300 -0.025 0.000 1.129 407 I CB 1.689 39.657 38.000 -0.053 0.000 1.308 407 I HN 0.493 nan 8.210 nan 0.000 0.466 408 K N 4.004 124.453 120.400 0.083 0.000 2.164 408 K HA 0.663 4.984 4.320 0.003 0.000 0.258 408 K C -0.781 175.934 176.600 0.192 0.000 0.951 408 K CA -0.660 55.701 56.287 0.123 0.000 0.844 408 K CB 1.509 34.088 32.500 0.131 0.000 1.099 408 K HN 0.554 nan 8.250 nan 0.000 0.435 409 V N 5.454 125.436 119.914 0.113 0.000 2.479 409 V HA 0.219 4.341 4.120 0.003 0.000 0.281 409 V C -1.602 174.504 176.094 0.021 0.000 1.031 409 V CA -1.096 61.255 62.300 0.085 0.000 1.038 409 V CB 0.789 32.639 31.823 0.044 0.000 0.981 409 V HN 0.938 nan 8.190 nan 0.000 0.478 410 P HA 0.394 nan 4.420 nan 0.000 0.276 410 P C -2.799 174.416 177.300 -0.141 0.000 1.252 410 P CA -1.892 61.068 63.100 -0.234 0.000 0.802 410 P CB 0.391 31.692 31.700 -0.666 0.000 1.035 411 P HA 0.338 nan 4.420 nan 0.000 0.276 411 P C -2.531 174.722 177.300 -0.078 0.000 1.244 411 P CA -1.985 61.072 63.100 -0.072 0.000 0.801 411 P CB -1.224 30.445 31.700 -0.051 0.000 1.006 412 P HA 0.027 nan 4.420 nan 0.000 0.267 412 P C -1.326 175.949 177.300 -0.041 0.000 1.200 412 P CA 0.056 63.129 63.100 -0.045 0.000 0.772 412 P CB 0.440 32.124 31.700 -0.027 0.000 0.855 413 L N 0.000 121.201 121.223 -0.037 0.000 2.949 413 L HA 0.000 4.342 4.340 0.003 0.000 0.249 413 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 413 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 413 L HN 0.000 nan 8.230 nan 0.000 0.502