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 3kc3_1_F DATA FIRST_RESID 44 DATA SEQUENCE PQFHVKSGLQ IKKNAIIDDY KVTSQVLGLG INGKVLQIFN KRTQEKFALK DATA SEQUENCE MLQDCPKARR EVELHWRASQ CPHIVRIVDV YENLYAGRKC LLIVMECLDG DATA SEQUENCE GELFSRIQDR GDQAFTEREA SEIMKSIGEA IQYLHSINIA HRDVKPENLL DATA SEQUENCE YTSKRPNAIL KLTDFGFAKE TTXXXXXXXX XXXPYYVAPE VLGPEKYDKS DATA SEQUENCE CDMWSLGVIM YILLCGYPPF YSNHXXXISP GMKTRIRMGQ YEFPNPEWSE DATA SEQUENCE VSEEVKMLIR NLLKTEPTQR MTITEFMNHP WIMQSTKVPQ TPLHTSRVLK DATA SEQUENCE EDKERWE 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 44 P HA 0.000 nan 4.420 nan 0.000 0.216 44 P C 0.000 177.308 177.300 0.014 0.000 1.155 44 P CA 0.000 63.102 63.100 0.003 0.000 0.800 44 P CB 0.000 31.689 31.700 -0.019 0.000 0.726 45 Q N 0.990 120.804 119.800 0.025 0.000 2.293 45 Q HA 0.603 4.944 4.340 0.000 0.000 0.251 45 Q C -1.240 174.780 176.000 0.032 0.000 0.930 45 Q CA -0.093 55.673 55.803 -0.061 0.000 0.893 45 Q CB 1.302 29.977 28.738 -0.106 0.000 1.215 45 Q HN 0.448 nan 8.270 nan 0.000 0.425 46 F N 2.142 121.849 119.950 -0.405 0.000 2.941 46 F HA 0.180 4.707 4.527 0.000 0.000 0.359 46 F C -0.656 174.965 175.800 -0.299 0.000 1.231 46 F CA -0.665 57.170 58.000 -0.275 0.000 1.089 46 F CB 1.039 39.966 39.000 -0.121 0.000 1.407 46 F HN 0.589 nan 8.300 nan 0.000 0.538 47 H N 5.012 123.994 119.070 -0.148 0.000 2.565 47 H HA 0.329 4.885 4.556 0.000 0.000 0.231 47 H C -0.508 174.735 175.328 -0.142 0.000 1.692 47 H CA -0.119 55.873 56.048 -0.093 0.000 1.269 47 H CB 0.729 30.451 29.762 -0.066 0.000 1.615 47 H HN 0.142 nan 8.280 nan 0.000 0.554 48 V N 2.994 122.899 119.914 -0.015 0.000 2.370 48 V HA 0.164 4.284 4.120 0.000 0.000 0.279 48 V C 0.039 176.165 176.094 0.053 0.000 1.029 48 V CA -0.561 61.731 62.300 -0.013 0.000 0.870 48 V CB 1.411 33.250 31.823 0.026 0.000 0.984 48 V HN 0.431 nan 8.190 nan 0.000 0.451 49 K N 2.825 123.251 120.400 0.044 0.000 2.156 49 K HA 0.585 4.905 4.320 0.000 0.000 0.250 49 K C 0.305 176.961 176.600 0.093 0.000 0.955 49 K CA -0.376 55.943 56.287 0.054 0.000 0.855 49 K CB 1.537 34.041 32.500 0.006 0.000 1.101 49 K HN 0.761 nan 8.250 nan 0.000 0.434 50 S N -0.172 115.606 115.700 0.131 0.000 2.612 50 S HA 0.401 4.871 4.470 0.000 0.000 0.253 50 S C 0.663 175.436 174.600 0.288 0.000 1.346 50 S CA -0.526 57.780 58.200 0.177 0.000 0.976 50 S CB 0.450 63.752 63.200 0.170 0.000 0.949 50 S HN 0.624 nan 8.310 nan 0.000 0.584 51 G N -1.087 107.845 108.800 0.220 0.000 2.521 51 G HA2 0.542 4.502 3.960 0.000 0.000 0.323 51 G HA3 0.542 4.502 3.960 0.000 0.000 0.323 51 G C -1.160 173.744 174.900 0.006 0.000 1.211 51 G CA -0.948 44.273 45.100 0.201 0.000 0.979 51 G HN 0.736 nan 8.290 nan 0.000 0.490 52 L N 0.016 121.048 121.223 -0.319 0.000 2.260 52 L HA 0.515 4.856 4.340 0.000 0.000 0.289 52 L C -0.098 176.481 176.870 -0.485 0.000 1.057 52 L CA -0.779 53.529 54.840 -0.886 0.000 0.811 52 L CB 1.384 42.688 42.059 -1.258 0.000 1.184 52 L HN 0.392 nan 8.230 nan 0.000 0.429 53 Q N 5.162 124.699 119.800 -0.439 0.000 2.390 53 Q HA 0.399 4.739 4.340 0.000 0.000 0.249 53 Q C -0.812 174.993 176.000 -0.325 0.000 0.996 53 Q CA -0.004 55.624 55.803 -0.293 0.000 0.899 53 Q CB 0.396 29.007 28.738 -0.210 0.000 1.216 53 Q HN 0.718 nan 8.270 nan 0.000 0.465 54 I N 4.815 125.218 120.570 -0.278 0.000 2.460 54 I HA -0.001 4.169 4.170 0.000 0.000 0.297 54 I C 0.448 176.413 176.117 -0.254 0.000 1.139 54 I CA -0.037 61.103 61.300 -0.267 0.000 1.340 54 I CB 0.042 37.928 38.000 -0.191 0.000 1.444 54 I HN 0.375 nan 8.210 nan 0.000 0.557 55 K N 6.593 126.775 120.400 -0.363 0.000 2.561 55 K HA -0.050 4.271 4.320 0.000 0.000 0.280 55 K C 0.699 177.170 176.600 -0.216 0.000 0.975 55 K CA 0.216 56.282 56.287 -0.368 0.000 1.024 55 K CB 0.698 32.762 32.500 -0.728 0.000 0.883 55 K HN 0.436 nan 8.250 nan 0.000 0.496 56 K N 1.429 121.776 120.400 -0.089 0.000 2.391 56 K HA 0.001 4.321 4.320 0.000 0.000 0.197 56 K C 0.214 176.860 176.600 0.077 0.000 1.087 56 K CA 0.103 56.394 56.287 0.007 0.000 1.012 56 K CB -0.019 32.477 32.500 -0.006 0.000 0.925 56 K HN 0.732 nan 8.250 nan 0.000 0.547 57 N N 2.285 121.034 118.700 0.082 0.000 2.412 57 N HA -0.031 4.709 4.740 0.000 0.000 0.258 57 N C -0.126 175.521 175.510 0.228 0.000 1.236 57 N CA 0.194 53.322 53.050 0.130 0.000 0.882 57 N CB 0.669 39.221 38.487 0.108 0.000 1.066 57 N HN -0.051 nan 8.380 nan 0.000 0.465 58 A N 3.474 126.375 122.820 0.135 0.000 2.583 58 A HA -0.093 4.228 4.320 0.000 0.000 0.249 58 A C 1.530 179.147 177.584 0.055 0.000 1.035 58 A CA -0.258 51.835 52.037 0.093 0.000 0.777 58 A CB -0.439 18.594 19.000 0.055 0.000 0.942 58 A HN 0.915 nan 8.150 nan 0.000 0.516 59 I N 3.107 123.607 120.570 -0.118 0.000 2.530 59 I HA -0.248 3.922 4.170 0.000 0.000 0.257 59 I C 1.859 177.898 176.117 -0.131 0.000 1.179 59 I CA 1.871 62.890 61.300 -0.468 0.000 1.440 59 I CB -0.095 37.437 38.000 -0.781 0.000 1.087 59 I HN 0.852 nan 8.210 nan 0.000 0.440 60 I N -2.377 118.170 120.570 -0.038 0.000 2.676 60 I HA -0.169 4.001 4.170 0.000 0.000 0.259 60 I C 1.665 177.795 176.117 0.022 0.000 1.194 60 I CA 0.907 62.218 61.300 0.017 0.000 1.473 60 I CB -0.804 37.214 38.000 0.029 0.000 1.096 60 I HN 0.047 nan 8.210 nan 0.000 0.443 61 D N 2.250 122.662 120.400 0.019 0.000 2.133 61 D HA -0.186 4.454 4.640 0.000 0.000 0.195 61 D C 1.639 177.932 176.300 -0.012 0.000 0.997 61 D CA 1.627 55.637 54.000 0.017 0.000 0.840 61 D CB -0.212 40.612 40.800 0.040 0.000 0.947 61 D HN 0.513 nan 8.370 nan 0.000 0.452 62 D N -1.645 118.738 120.400 -0.029 0.000 2.338 62 D HA 0.014 4.655 4.640 0.000 0.000 0.208 62 D C -0.055 175.998 176.300 -0.412 0.000 0.997 62 D CA 0.411 54.287 54.000 -0.208 0.000 0.880 62 D CB 0.386 41.084 40.800 -0.170 0.000 0.980 62 D HN 0.272 nan 8.370 nan 0.000 0.509 63 Y N 0.261 120.543 120.300 -0.030 0.000 2.421 63 Y HA 0.245 4.795 4.550 0.000 0.000 0.339 63 Y C 0.211 176.134 175.900 0.039 0.000 0.996 63 Y CA -1.151 56.957 58.100 0.013 0.000 1.046 63 Y CB 1.797 40.233 38.460 -0.041 0.000 1.226 63 Y HN -0.431 nan 8.280 nan 0.000 0.445 64 K N 2.535 123.082 120.400 0.246 0.000 2.416 64 K HA 0.381 4.701 4.320 0.000 0.000 0.283 64 K C -1.179 175.565 176.600 0.241 0.000 1.037 64 K CA -0.067 56.343 56.287 0.206 0.000 0.995 64 K CB 0.420 33.040 32.500 0.200 0.000 0.938 64 K HN 0.523 nan 8.250 nan 0.000 0.475 65 V N 5.295 125.302 119.914 0.155 0.000 2.328 65 V HA 0.103 4.224 4.120 0.000 0.000 0.278 65 V C 0.756 176.922 176.094 0.120 0.000 1.021 65 V CA -0.647 61.723 62.300 0.117 0.000 0.838 65 V CB 1.012 32.863 31.823 0.048 0.000 0.999 65 V HN 1.037 nan 8.190 nan 0.000 0.447 66 T N 1.833 116.479 114.554 0.154 0.000 2.914 66 T HA 0.304 4.654 4.350 0.000 0.000 0.313 66 T C 0.949 175.697 174.700 0.080 0.000 1.137 66 T CA 0.299 62.485 62.100 0.142 0.000 0.946 66 T CB 1.441 70.451 68.868 0.235 0.000 1.558 66 T HN 0.716 nan 8.240 nan 0.000 0.565 67 S N -1.346 114.396 115.700 0.070 0.000 2.787 67 S HA 0.150 4.621 4.470 0.000 0.000 0.255 67 S C 0.557 175.177 174.600 0.034 0.000 1.051 67 S CA -0.652 57.572 58.200 0.040 0.000 1.124 67 S CB -0.434 62.786 63.200 0.033 0.000 1.104 67 S HN 0.958 nan 8.310 nan 0.000 0.623 68 Q N 1.764 121.595 119.800 0.051 0.000 2.289 68 Q HA 0.409 4.749 4.340 0.000 0.000 0.273 68 Q C -0.737 175.276 176.000 0.021 0.000 1.029 68 Q CA -0.253 55.574 55.803 0.039 0.000 0.896 68 Q CB 0.757 29.531 28.738 0.059 0.000 1.182 68 Q HN 0.155 nan 8.270 nan 0.000 0.385 69 V N 5.772 125.691 119.914 0.010 0.000 2.432 69 V HA 0.016 4.136 4.120 0.000 0.000 0.271 69 V C 1.342 177.440 176.094 0.005 0.000 1.046 69 V CA -0.226 62.075 62.300 0.002 0.000 0.945 69 V CB 0.887 32.707 31.823 -0.004 0.000 0.992 69 V HN 0.863 nan 8.190 nan 0.000 0.471 70 L N 3.883 125.110 121.223 0.007 0.000 2.162 70 L HA 0.334 4.674 4.340 0.000 0.000 0.205 70 L C 1.128 178.016 176.870 0.030 0.000 1.086 70 L CA 1.224 56.074 54.840 0.016 0.000 0.778 70 L CB -0.100 41.966 42.059 0.012 0.000 0.928 70 L HN 0.829 nan 8.230 nan 0.000 0.446 71 G N -0.185 108.634 108.800 0.031 0.000 2.489 71 G HA2 0.541 4.502 3.960 0.000 0.000 0.305 71 G HA3 0.541 4.502 3.960 0.000 0.000 0.305 71 G C -1.982 172.943 174.900 0.041 0.000 1.311 71 G CA -0.555 44.574 45.100 0.048 0.000 0.813 71 G HN 0.012 nan 8.290 nan 0.000 0.480 72 L N -2.276 118.981 121.223 0.056 0.000 2.661 72 L HA 0.784 5.124 4.340 0.000 0.000 0.263 72 L C 0.014 176.923 176.870 0.065 0.000 0.956 72 L CA -0.756 54.112 54.840 0.047 0.000 0.918 72 L CB 1.472 43.552 42.059 0.035 0.000 1.280 72 L HN 0.966 nan 8.230 nan 0.000 0.416 73 G N 2.379 111.212 108.800 0.054 0.000 2.389 73 G HA2 0.646 4.607 3.960 0.000 0.000 0.317 73 G HA3 0.646 4.607 3.960 0.000 0.000 0.317 73 G C -0.182 174.744 174.900 0.043 0.000 1.137 73 G CA -0.981 44.156 45.100 0.062 0.000 0.870 73 G HN 0.541 nan 8.290 nan 0.000 0.496 74 I N 1.257 121.864 120.570 0.062 0.000 2.828 74 I HA -0.066 4.104 4.170 0.000 0.000 0.292 74 I C 1.296 177.375 176.117 -0.063 0.000 1.206 74 I CA 1.105 62.417 61.300 0.020 0.000 1.420 74 I CB -0.113 37.927 38.000 0.065 0.000 1.368 74 I HN 0.949 nan 8.210 nan 0.000 0.556 75 N N 2.708 121.377 118.700 -0.052 0.000 2.962 75 N HA -0.128 4.612 4.740 0.000 0.000 0.206 75 N C 0.160 175.648 175.510 -0.037 0.000 0.907 75 N CA 0.570 53.583 53.050 -0.062 0.000 1.029 75 N CB -0.725 37.697 38.487 -0.108 0.000 1.009 75 N HN 1.116 nan 8.380 nan 0.000 0.587 76 G N 0.802 109.589 108.800 -0.021 0.000 2.050 76 G HA2 0.184 4.144 3.960 0.000 0.000 0.274 76 G HA3 0.184 4.144 3.960 0.000 0.000 0.274 76 G C -1.239 173.658 174.900 -0.005 0.000 1.733 76 G CA -0.619 44.470 45.100 -0.018 0.000 0.905 76 G HN 0.265 nan 8.290 nan 0.000 0.728 77 K N 1.116 121.512 120.400 -0.008 0.000 2.440 77 K HA 0.280 4.600 4.320 0.000 0.000 0.270 77 K C -0.029 176.567 176.600 -0.006 0.000 0.980 77 K CA -0.307 55.979 56.287 -0.001 0.000 0.953 77 K CB 1.366 33.861 32.500 -0.008 0.000 0.925 77 K HN 0.303 nan 8.250 nan 0.000 0.497 78 V N 3.991 123.909 119.914 0.006 0.000 2.347 78 V HA 0.251 4.371 4.120 0.000 0.000 0.280 78 V C 0.220 176.309 176.094 -0.008 0.000 1.021 78 V CA -0.729 61.573 62.300 0.004 0.000 0.847 78 V CB 0.723 32.563 31.823 0.028 0.000 0.990 78 V HN 0.530 nan 8.190 nan 0.000 0.444 79 L N 4.058 125.266 121.223 -0.025 0.000 2.334 79 L HA 0.541 4.881 4.340 0.000 0.000 0.275 79 L C 0.179 177.024 176.870 -0.041 0.000 1.036 79 L CA -0.475 54.348 54.840 -0.028 0.000 0.807 79 L CB 1.677 43.714 42.059 -0.037 0.000 1.231 79 L HN 0.588 nan 8.230 nan 0.000 0.438 80 Q N 3.182 122.960 119.800 -0.037 0.000 2.288 80 Q HA 0.532 4.873 4.340 0.000 0.000 0.254 80 Q C -0.843 175.101 176.000 -0.094 0.000 0.932 80 Q CA -0.236 55.510 55.803 -0.095 0.000 0.902 80 Q CB 1.229 29.911 28.738 -0.093 0.000 1.203 80 Q HN 0.551 nan 8.270 nan 0.000 0.415 81 I N -0.607 119.849 120.570 -0.190 0.000 3.042 81 I HA 0.638 4.808 4.170 0.000 0.000 0.310 81 I C -1.509 174.475 176.117 -0.222 0.000 1.117 81 I CA -1.192 60.065 61.300 -0.072 0.000 1.003 81 I CB 1.844 39.817 38.000 -0.044 0.000 1.228 81 I HN 0.430 nan 8.210 nan 0.000 0.443 82 F N 1.823 121.924 119.950 0.253 0.000 2.520 82 F HA 0.425 4.952 4.527 0.000 0.000 0.322 82 F C 0.138 176.153 175.800 0.359 0.000 1.103 82 F CA -0.696 57.476 58.000 0.286 0.000 0.926 82 F CB 1.427 40.515 39.000 0.148 0.000 1.154 82 F HN 0.500 nan 8.300 nan 0.000 0.453 83 N N 2.972 121.979 118.700 0.512 0.000 2.442 83 N HA 0.079 4.819 4.740 0.000 0.000 0.265 83 N C 0.667 176.228 175.510 0.085 0.000 1.138 83 N CA 0.180 53.301 53.050 0.119 0.000 0.956 83 N CB 0.961 39.557 38.487 0.182 0.000 1.067 83 N HN 0.662 nan 8.380 nan 0.000 0.474 84 K N 3.569 123.951 120.400 -0.031 0.000 2.002 84 K HA -0.119 4.201 4.320 0.000 0.000 0.209 84 K C 1.812 178.415 176.600 0.005 0.000 1.048 84 K CA 1.313 57.604 56.287 0.005 0.000 0.930 84 K CB 0.051 32.538 32.500 -0.021 0.000 0.714 84 K HN 0.493 nan 8.250 nan 0.000 0.438 85 R N 0.408 120.893 120.500 -0.026 0.000 2.113 85 R HA -0.151 4.189 4.340 0.000 0.000 0.231 85 R C 2.733 179.051 176.300 0.029 0.000 1.129 85 R CA 2.335 58.433 56.100 -0.004 0.000 0.915 85 R CB -1.031 29.257 30.300 -0.019 0.000 0.837 85 R HN 0.446 nan 8.270 nan 0.000 0.430 86 T N -2.382 112.204 114.554 0.053 0.000 3.035 86 T HA -0.096 4.255 4.350 0.000 0.000 0.268 86 T C 1.097 175.860 174.700 0.106 0.000 1.109 86 T CA 1.086 63.237 62.100 0.085 0.000 1.119 86 T CB 0.160 69.103 68.868 0.125 0.000 0.900 86 T HN 0.337 nan 8.240 nan 0.000 0.503 87 Q N -0.025 119.851 119.800 0.126 0.000 2.342 87 Q HA -0.187 4.154 4.340 0.000 0.000 0.196 87 Q C 0.051 176.198 176.000 0.245 0.000 0.629 87 Q CA 1.546 57.438 55.803 0.149 0.000 1.365 87 Q CB -1.955 26.834 28.738 0.084 0.000 1.406 87 Q HN 0.886 nan 8.270 nan 0.000 0.840 88 E N 0.268 120.613 120.200 0.242 0.000 2.620 88 E HA 0.339 4.689 4.350 0.000 0.000 0.255 88 E C -0.700 175.969 176.600 0.114 0.000 1.346 88 E CA -0.481 56.014 56.400 0.158 0.000 1.013 88 E CB 0.648 30.407 29.700 0.098 0.000 1.131 88 E HN 0.146 nan 8.360 nan 0.000 0.608 89 K N 1.285 121.518 120.400 -0.278 0.000 2.358 89 K HA 0.349 4.670 4.320 0.000 0.000 0.260 89 K C -1.632 174.553 176.600 -0.691 0.000 0.956 89 K CA -0.291 55.720 56.287 -0.460 0.000 0.834 89 K CB 0.567 32.871 32.500 -0.327 0.000 1.102 89 K HN 0.262 nan 8.250 nan 0.000 0.431 90 F N 0.994 120.808 119.950 -0.228 0.000 2.640 90 F HA 0.652 5.180 4.527 0.000 0.000 0.324 90 F C -0.310 175.375 175.800 -0.191 0.000 1.077 90 F CA -1.034 56.884 58.000 -0.137 0.000 0.965 90 F CB 2.073 41.037 39.000 -0.059 0.000 1.351 90 F HN 0.437 nan 8.300 nan 0.000 0.487 91 A N 1.919 124.795 122.820 0.093 0.000 2.331 91 A HA 0.767 5.087 4.320 0.000 0.000 0.320 91 A C -1.747 175.818 177.584 -0.031 0.000 1.138 91 A CA -0.582 51.456 52.037 0.002 0.000 0.790 91 A CB 1.253 20.267 19.000 0.023 0.000 1.206 91 A HN 0.790 nan 8.150 nan 0.000 0.470 92 L N 2.123 123.302 121.223 -0.073 0.000 2.322 92 L HA 0.678 5.019 4.340 0.000 0.000 0.281 92 L C -0.335 176.498 176.870 -0.061 0.000 1.014 92 L CA -0.446 54.332 54.840 -0.104 0.000 0.815 92 L CB 1.408 43.367 42.059 -0.166 0.000 1.247 92 L HN 0.663 nan 8.230 nan 0.000 0.421 93 K N 5.941 126.314 120.400 -0.045 0.000 2.292 93 K HA 0.474 4.794 4.320 0.000 0.000 0.257 93 K C -1.325 175.248 176.600 -0.046 0.000 0.940 93 K CA -0.681 55.592 56.287 -0.024 0.000 0.811 93 K CB 1.477 33.991 32.500 0.023 0.000 1.120 93 K HN 0.719 nan 8.250 nan 0.000 0.428 94 M N 6.093 125.656 119.600 -0.062 0.000 2.088 94 M HA 0.348 4.828 4.480 0.000 0.000 0.346 94 M C -0.848 175.414 176.300 -0.063 0.000 1.111 94 M CA -0.616 54.632 55.300 -0.088 0.000 1.017 94 M CB 0.900 33.413 32.600 -0.146 0.000 1.568 94 M HN 0.458 nan 8.290 nan 0.000 0.445 95 L N 2.155 123.350 121.223 -0.046 0.000 2.323 95 L HA 0.517 4.857 4.340 0.000 0.000 0.265 95 L C -0.310 176.546 176.870 -0.024 0.000 1.012 95 L CA -0.812 54.009 54.840 -0.031 0.000 0.820 95 L CB 2.444 44.494 42.059 -0.016 0.000 1.334 95 L HN 0.617 nan 8.230 nan 0.000 0.427 96 Q N 1.059 120.849 119.800 -0.017 0.000 2.271 96 Q HA 0.158 4.498 4.340 0.000 0.000 0.258 96 Q C -1.083 174.916 176.000 -0.001 0.000 0.936 96 Q CA -0.756 55.045 55.803 -0.003 0.000 0.909 96 Q CB 1.966 30.704 28.738 0.001 0.000 1.253 96 Q HN 0.400 nan 8.270 nan 0.000 0.440 97 D N 2.010 122.414 120.400 0.006 0.000 2.458 97 D HA 0.158 4.798 4.640 0.000 0.000 0.243 97 D C -0.794 175.506 176.300 -0.000 0.000 1.146 97 D CA 0.318 54.320 54.000 0.002 0.000 0.877 97 D CB 0.235 41.038 40.800 0.006 0.000 1.176 97 D HN 0.645 nan 8.370 nan 0.000 0.461 98 C N 1.506 120.804 119.300 -0.003 0.000 3.216 98 C HA 0.317 4.777 4.460 0.000 0.000 0.346 98 C C -1.925 173.062 174.990 -0.005 0.000 1.384 98 C CA -1.172 57.843 59.018 -0.004 0.000 1.208 98 C CB 0.653 28.390 27.740 -0.006 0.000 1.483 98 C HN 0.321 nan 8.230 nan 0.000 0.453 99 P HA -0.170 nan 4.420 nan 0.000 0.217 99 P C 1.616 178.914 177.300 -0.003 0.000 1.158 99 P CA 2.133 65.232 63.100 -0.002 0.000 0.887 99 P CB 0.077 31.776 31.700 -0.001 0.000 0.792 100 K N -0.814 119.581 120.400 -0.008 0.000 1.985 100 K HA -0.134 4.186 4.320 0.000 0.000 0.210 100 K C 2.153 178.746 176.600 -0.012 0.000 1.047 100 K CA 1.620 57.898 56.287 -0.015 0.000 0.932 100 K CB -0.817 31.665 32.500 -0.031 0.000 0.716 100 K HN 0.007 nan 8.250 nan 0.000 0.439 101 A N 1.935 124.747 122.820 -0.014 0.000 1.903 101 A HA -0.229 4.092 4.320 0.000 0.000 0.219 101 A C 2.041 179.628 177.584 0.006 0.000 1.191 101 A CA 1.655 53.688 52.037 -0.006 0.000 0.638 101 A CB -0.458 18.537 19.000 -0.009 0.000 0.823 101 A HN 0.206 nan 8.150 nan 0.000 0.451 102 R N -0.485 120.017 120.500 0.002 0.000 2.092 102 R HA -0.032 4.308 4.340 0.000 0.000 0.231 102 R C 2.183 178.493 176.300 0.018 0.000 1.119 102 R CA 1.398 57.499 56.100 0.003 0.000 0.970 102 R CB -0.646 29.652 30.300 -0.003 0.000 0.864 102 R HN 0.620 nan 8.270 nan 0.000 0.440 103 R N 0.674 121.186 120.500 0.021 0.000 2.075 103 R HA -0.094 4.246 4.340 0.000 0.000 0.232 103 R C 2.252 178.587 176.300 0.058 0.000 1.126 103 R CA 1.233 57.354 56.100 0.035 0.000 0.963 103 R CB -0.205 30.112 30.300 0.028 0.000 0.858 103 R HN 0.388 nan 8.270 nan 0.000 0.435 104 E N 0.690 120.924 120.200 0.055 0.000 2.023 104 E HA -0.210 4.141 4.350 0.000 0.000 0.196 104 E C 1.910 178.586 176.600 0.127 0.000 1.003 104 E CA 1.867 58.326 56.400 0.097 0.000 0.809 104 E CB 0.042 29.789 29.700 0.078 0.000 0.755 104 E HN 0.068 nan 8.360 nan 0.000 0.449 105 V N 1.172 121.140 119.914 0.090 0.000 2.278 105 V HA -0.291 3.829 4.120 0.000 0.000 0.251 105 V C 2.517 178.674 176.094 0.106 0.000 1.062 105 V CA 2.380 64.727 62.300 0.079 0.000 1.038 105 V CB -0.760 31.073 31.823 0.016 0.000 0.646 105 V HN 0.365 nan 8.190 nan 0.000 0.447 106 E N 0.146 120.398 120.200 0.086 0.000 2.150 106 E HA -0.154 4.196 4.350 0.000 0.000 0.193 106 E C 1.966 178.649 176.600 0.139 0.000 0.985 106 E CA 1.333 57.802 56.400 0.115 0.000 0.814 106 E CB -0.320 29.424 29.700 0.075 0.000 0.752 106 E HN 0.599 nan 8.360 nan 0.000 0.466 107 L N -0.879 120.405 121.223 0.102 0.000 2.072 107 L HA -0.076 4.264 4.340 0.000 0.000 0.205 107 L C 2.558 179.390 176.870 -0.063 0.000 1.079 107 L CA 1.507 56.389 54.840 0.070 0.000 0.752 107 L CB -0.530 41.606 42.059 0.129 0.000 0.906 107 L HN 0.312 nan 8.230 nan 0.000 0.436 108 H N -0.856 118.060 119.070 -0.257 0.000 2.423 108 H HA -0.253 4.304 4.556 0.000 0.000 0.297 108 H C 2.154 177.314 175.328 -0.281 0.000 1.075 108 H CA 1.347 57.017 56.048 -0.631 0.000 1.342 108 H CB 0.062 29.625 29.762 -0.332 0.000 1.395 108 H HN 0.464 nan 8.280 nan 0.000 0.530 109 W N 2.063 123.311 121.300 -0.087 0.000 2.418 109 W HA -0.130 4.530 4.660 0.000 0.000 0.292 109 W C 1.656 178.148 176.519 -0.045 0.000 1.213 109 W CA 0.800 58.091 57.345 -0.091 0.000 1.283 109 W CB -0.095 29.317 29.460 -0.080 0.000 1.119 109 W HN 0.196 nan 8.180 nan 0.000 0.542 110 R N 0.558 121.021 120.500 -0.061 0.000 2.073 110 R HA -0.135 4.205 4.340 0.000 0.000 0.234 110 R C 2.433 178.689 176.300 -0.074 0.000 1.134 110 R CA 1.756 57.791 56.100 -0.108 0.000 0.952 110 R CB -1.128 29.188 30.300 0.027 0.000 0.850 110 R HN 0.141 nan 8.270 nan 0.000 0.433 111 A N 0.465 123.249 122.820 -0.060 0.000 2.172 111 A HA -0.108 4.212 4.320 0.000 0.000 0.216 111 A C 2.114 179.669 177.584 -0.049 0.000 1.154 111 A CA 1.292 53.362 52.037 0.054 0.000 0.701 111 A CB -0.343 18.595 19.000 -0.103 0.000 0.789 111 A HN 0.264 nan 8.150 nan 0.000 0.465 112 S N -1.096 114.489 115.700 -0.192 0.000 2.447 112 S HA -0.140 4.330 4.470 0.000 0.000 0.233 112 S C 1.976 176.394 174.600 -0.303 0.000 1.006 112 S CA 1.289 59.358 58.200 -0.219 0.000 0.957 112 S CB -0.292 62.699 63.200 -0.348 0.000 0.773 112 S HN 0.565 nan 8.310 nan 0.000 0.507 113 Q N 0.569 120.147 119.800 -0.369 0.000 2.439 113 Q HA 0.039 4.379 4.340 0.000 0.000 0.211 113 Q C 0.657 176.337 176.000 -0.534 0.000 0.978 113 Q CA 0.411 55.965 55.803 -0.415 0.000 0.897 113 Q CB -0.592 27.945 28.738 -0.335 0.000 0.956 113 Q HN 0.618 nan 8.270 nan 0.000 0.483 114 C N 0.978 119.936 119.300 -0.570 0.000 2.330 114 C HA 0.454 4.914 4.460 0.000 0.000 0.344 114 C C -1.460 173.345 174.990 -0.308 0.000 1.273 114 C CA -2.087 56.576 59.018 -0.591 0.000 1.879 114 C CB 0.830 28.247 27.740 -0.539 0.000 2.376 114 C HN 0.349 nan 8.230 nan 0.000 0.534 115 P HA -0.030 nan 4.420 nan 0.000 0.242 115 P C 0.614 177.626 177.300 -0.479 0.000 1.197 115 P CA 1.273 64.164 63.100 -0.348 0.000 0.765 115 P CB -0.216 31.262 31.700 -0.369 0.000 0.936 116 H N -0.789 118.249 119.070 -0.054 0.000 2.529 116 H HA 0.330 4.886 4.556 0.000 0.000 0.277 116 H C 0.823 176.157 175.328 0.011 0.000 1.004 116 H CA -0.027 56.008 56.048 -0.022 0.000 1.167 116 H CB 0.443 30.192 29.762 -0.021 0.000 1.445 116 H HN 0.223 nan 8.280 nan 0.000 0.554 117 I N 0.756 121.371 120.570 0.075 0.000 2.569 117 I HA 0.102 4.273 4.170 0.000 0.000 0.296 117 I C 0.095 176.296 176.117 0.140 0.000 1.028 117 I CA -1.094 60.300 61.300 0.156 0.000 1.082 117 I CB 3.228 41.354 38.000 0.210 0.000 1.264 117 I HN -0.209 nan 8.210 nan 0.000 0.429 118 V N 6.530 126.576 119.914 0.221 0.000 2.637 118 V HA 0.249 4.369 4.120 0.000 0.000 0.296 118 V C 0.145 176.391 176.094 0.253 0.000 1.046 118 V CA -0.020 62.407 62.300 0.211 0.000 1.066 118 V CB 0.994 32.952 31.823 0.225 0.000 0.968 118 V HN 0.771 nan 8.190 nan 0.000 0.483 119 R N 5.403 125.980 120.500 0.129 0.000 2.312 119 R HA 0.513 4.853 4.340 0.000 0.000 0.311 119 R C -0.419 175.901 176.300 0.033 0.000 1.004 119 R CA -0.680 55.452 56.100 0.054 0.000 0.902 119 R CB 1.018 31.334 30.300 0.025 0.000 1.073 119 R HN 0.840 nan 8.270 nan 0.000 0.457 120 I N 4.076 124.621 120.570 -0.041 0.000 2.529 120 I HA -0.025 4.145 4.170 0.000 0.000 0.284 120 I C 0.947 177.163 176.117 0.164 0.000 1.082 120 I CA -0.034 61.259 61.300 -0.011 0.000 1.406 120 I CB 1.661 39.633 38.000 -0.046 0.000 1.405 120 I HN 0.502 nan 8.210 nan 0.000 0.548 121 V N 3.838 123.808 119.914 0.095 0.000 3.523 121 V HA 0.218 4.338 4.120 0.000 0.000 0.255 121 V C -0.232 175.880 176.094 0.031 0.000 1.226 121 V CA 0.839 63.193 62.300 0.090 0.000 1.092 121 V CB -0.089 31.727 31.823 -0.012 0.000 0.817 121 V HN 0.754 nan 8.190 nan 0.000 0.458 122 D N -1.682 118.703 120.400 -0.026 0.000 2.720 122 D HA 0.389 5.029 4.640 0.000 0.000 0.239 122 D C -1.542 174.695 176.300 -0.106 0.000 1.218 122 D CA -0.014 53.928 54.000 -0.097 0.000 0.748 122 D CB 2.831 43.649 40.800 0.030 0.000 1.387 122 D HN -0.163 nan 8.370 nan 0.000 0.438 123 V N 2.052 121.832 119.914 -0.224 0.000 2.577 123 V HA 0.463 4.583 4.120 0.000 0.000 0.303 123 V C -1.049 174.908 176.094 -0.229 0.000 1.042 123 V CA -0.705 61.512 62.300 -0.139 0.000 0.872 123 V CB 1.465 33.175 31.823 -0.188 0.000 0.998 123 V HN 0.417 nan 8.190 nan 0.000 0.423 124 Y N 1.732 121.977 120.300 -0.092 0.000 2.420 124 Y HA 0.574 5.125 4.550 0.000 0.000 0.334 124 Y C 0.393 176.262 175.900 -0.052 0.000 1.094 124 Y CA -0.870 57.194 58.100 -0.060 0.000 1.126 124 Y CB 1.612 40.050 38.460 -0.036 0.000 1.217 124 Y HN 0.672 nan 8.280 nan 0.000 0.462 125 E N 2.961 123.213 120.200 0.086 0.000 2.145 125 E HA 0.381 4.731 4.350 0.000 0.000 0.262 125 E C -1.457 175.195 176.600 0.086 0.000 0.883 125 E CA -0.346 56.089 56.400 0.057 0.000 0.748 125 E CB 0.466 30.170 29.700 0.006 0.000 1.140 125 E HN 0.840 nan 8.360 nan 0.000 0.417 126 N N 2.970 121.726 118.700 0.093 0.000 2.405 126 N HA 0.376 5.116 4.740 0.000 0.000 0.285 126 N C -1.658 173.905 175.510 0.089 0.000 1.262 126 N CA -0.887 52.222 53.050 0.097 0.000 0.773 126 N CB 1.319 39.873 38.487 0.112 0.000 1.490 126 N HN 0.252 nan 8.380 nan 0.000 0.486 127 L N 2.182 123.452 121.223 0.080 0.000 2.257 127 L HA 0.374 4.714 4.340 0.000 0.000 0.290 127 L C -1.466 175.461 176.870 0.095 0.000 1.044 127 L CA -0.330 54.551 54.840 0.069 0.000 0.810 127 L CB -0.174 41.902 42.059 0.028 0.000 1.193 127 L HN 0.505 nan 8.230 nan 0.000 0.425 128 Y N 4.621 124.922 120.300 0.002 0.000 2.326 128 Y HA 0.539 5.089 4.550 0.000 0.000 0.329 128 Y C 0.681 176.581 175.900 -0.001 0.000 0.973 128 Y CA -0.449 57.651 58.100 -0.001 0.000 1.162 128 Y CB 1.439 39.896 38.460 -0.004 0.000 1.147 128 Y HN 0.790 nan 8.280 nan 0.000 0.456 129 A N 4.057 126.610 122.820 -0.445 0.000 2.687 129 A HA -0.091 4.229 4.320 0.000 0.000 0.299 129 A C 1.643 179.188 177.584 -0.064 0.000 1.497 129 A CA 1.482 53.386 52.037 -0.221 0.000 0.751 129 A CB -2.142 16.805 19.000 -0.088 0.000 1.048 129 A HN 2.354 nan 8.150 nan 0.000 0.464 130 G N -2.043 106.721 108.800 -0.061 0.000 2.219 130 G HA2 -0.332 3.628 3.960 0.000 0.000 0.271 130 G HA3 -0.332 3.628 3.960 0.000 0.000 0.271 130 G C 0.294 175.202 174.900 0.012 0.000 0.991 130 G CA 1.569 46.658 45.100 -0.019 0.000 0.685 130 G HN 1.252 nan 8.290 nan 0.000 0.531 131 R N 0.354 120.879 120.500 0.041 0.000 2.312 131 R HA 0.550 4.890 4.340 0.000 0.000 0.311 131 R C 0.692 177.034 176.300 0.071 0.000 1.004 131 R CA -0.607 55.529 56.100 0.060 0.000 0.902 131 R CB 0.694 31.045 30.300 0.084 0.000 1.073 131 R HN 0.254 nan 8.270 nan 0.000 0.457 132 K N 1.761 122.190 120.400 0.048 0.000 2.436 132 K HA 0.126 4.446 4.320 0.000 0.000 0.275 132 K C -0.707 175.924 176.600 0.050 0.000 0.999 132 K CA 0.385 56.699 56.287 0.045 0.000 0.980 132 K CB 0.346 32.861 32.500 0.026 0.000 0.919 132 K HN 0.550 nan 8.250 nan 0.000 0.484 133 C N 3.075 122.407 119.300 0.053 0.000 2.994 133 C HA 0.446 4.906 4.460 0.000 0.000 0.305 133 C C -0.731 174.276 174.990 0.027 0.000 1.251 133 C CA -0.968 58.072 59.018 0.037 0.000 1.478 133 C CB 1.076 28.843 27.740 0.045 0.000 1.922 133 C HN 0.702 nan 8.230 nan 0.000 0.472 134 L N 2.775 124.003 121.223 0.009 0.000 2.276 134 L HA 0.500 4.840 4.340 0.000 0.000 0.286 134 L C -0.871 175.999 176.870 -0.000 0.000 1.024 134 L CA -0.179 54.665 54.840 0.007 0.000 0.826 134 L CB 0.678 42.735 42.059 -0.004 0.000 1.211 134 L HN 0.525 nan 8.230 nan 0.000 0.422 135 L N 5.718 126.955 121.223 0.023 0.000 2.264 135 L HA 0.474 4.814 4.340 0.000 0.000 0.287 135 L C -0.096 176.786 176.870 0.020 0.000 1.039 135 L CA -0.362 54.478 54.840 -0.001 0.000 0.829 135 L CB 1.152 43.200 42.059 -0.020 0.000 1.211 135 L HN 0.498 nan 8.230 nan 0.000 0.427 136 I N 3.923 124.481 120.570 -0.020 0.000 2.325 136 I HA 0.214 4.384 4.170 0.000 0.000 0.291 136 I C 0.015 176.094 176.117 -0.065 0.000 1.019 136 I CA -0.539 60.741 61.300 -0.033 0.000 1.302 136 I CB 1.636 39.616 38.000 -0.035 0.000 1.401 136 I HN 0.248 nan 8.210 nan 0.000 0.485 137 V N 7.905 127.774 119.914 -0.076 0.000 2.439 137 V HA 0.435 4.555 4.120 0.000 0.000 0.282 137 V C 0.253 176.313 176.094 -0.057 0.000 1.039 137 V CA -0.275 61.939 62.300 -0.143 0.000 0.913 137 V CB 1.428 33.065 31.823 -0.309 0.000 0.983 137 V HN 0.685 nan 8.190 nan 0.000 0.460 138 M N 3.234 122.847 119.600 0.022 0.000 2.690 138 M HA 0.478 4.958 4.480 0.000 0.000 0.302 138 M C -0.184 176.271 176.300 0.260 0.000 1.234 138 M CA -0.750 54.613 55.300 0.105 0.000 0.853 138 M CB 2.270 34.922 32.600 0.086 0.000 1.748 138 M HN 0.769 nan 8.290 nan 0.000 0.469 139 E N 0.127 120.467 120.200 0.233 0.000 2.414 139 E HA 0.117 4.467 4.350 0.000 0.000 0.263 139 E C -0.875 175.772 176.600 0.078 0.000 1.000 139 E CA -0.479 56.032 56.400 0.185 0.000 0.914 139 E CB 0.844 30.612 29.700 0.115 0.000 0.948 139 E HN 0.572 nan 8.360 nan 0.000 0.444 140 C N 5.859 125.137 119.300 -0.037 0.000 2.394 140 C HA 0.335 4.795 4.460 0.000 0.000 0.362 140 C C -0.170 174.794 174.990 -0.045 0.000 1.268 140 C CA -0.591 58.389 59.018 -0.062 0.000 1.828 140 C CB -1.475 26.166 27.740 -0.166 0.000 2.442 140 C HN 0.660 nan 8.230 nan 0.000 0.549 141 L N 7.039 128.262 121.223 0.001 0.000 2.294 141 L HA 0.442 4.782 4.340 0.000 0.000 0.283 141 L C -0.091 176.797 176.870 0.031 0.000 1.015 141 L CA -0.196 54.657 54.840 0.022 0.000 0.831 141 L CB 1.334 43.420 42.059 0.045 0.000 1.217 141 L HN 0.688 nan 8.230 nan 0.000 0.420 142 D N 1.029 121.447 120.400 0.029 0.000 2.501 142 D HA 0.072 4.712 4.640 0.000 0.000 0.226 142 D C 1.421 177.757 176.300 0.059 0.000 1.198 142 D CA -0.153 53.869 54.000 0.036 0.000 0.830 142 D CB 0.763 41.573 40.800 0.016 0.000 1.014 142 D HN 0.530 nan 8.370 nan 0.000 0.496 143 G N 0.082 108.936 108.800 0.091 0.000 2.448 143 G HA2 0.365 4.325 3.960 0.000 0.000 0.218 143 G HA3 0.365 4.325 3.960 0.000 0.000 0.218 143 G C 0.934 175.918 174.900 0.141 0.000 1.135 143 G CA 0.195 45.367 45.100 0.121 0.000 0.784 143 G HN 0.803 nan 8.290 nan 0.000 0.543 144 G N -0.529 108.358 108.800 0.145 0.000 2.576 144 G HA2 0.042 4.002 3.960 0.000 0.000 0.686 144 G HA3 0.042 4.002 3.960 0.000 0.000 0.686 144 G C -0.573 174.415 174.900 0.147 0.000 1.242 144 G CA -0.594 44.591 45.100 0.142 0.000 0.819 144 G HN 0.407 nan 8.290 nan 0.000 0.655 145 E N 1.257 121.522 120.200 0.108 0.000 2.392 145 E HA 0.276 4.626 4.350 0.000 0.000 0.264 145 E C 1.625 178.226 176.600 0.002 0.000 1.024 145 E CA -0.336 56.085 56.400 0.034 0.000 0.903 145 E CB 1.368 31.097 29.700 0.048 0.000 0.963 145 E HN 0.715 nan 8.360 nan 0.000 0.432 146 L N 2.727 123.849 121.223 -0.169 0.000 2.077 146 L HA -0.314 4.026 4.340 0.000 0.000 0.231 146 L C 1.653 178.399 176.870 -0.207 0.000 1.100 146 L CA 2.022 56.696 54.840 -0.276 0.000 0.819 146 L CB -0.630 41.045 42.059 -0.639 0.000 0.913 146 L HN 0.709 nan 8.230 nan 0.000 0.446 147 F N -1.552 118.391 119.950 -0.011 0.000 2.661 147 F HA -0.047 4.481 4.527 0.000 0.000 0.298 147 F C 2.303 178.075 175.800 -0.046 0.000 1.137 147 F CA 0.516 58.478 58.000 -0.063 0.000 1.454 147 F CB -0.234 38.703 39.000 -0.104 0.000 1.103 147 F HN 0.076 nan 8.300 nan 0.000 0.577 148 S N 0.069 115.847 115.700 0.131 0.000 2.357 148 S HA -0.156 4.315 4.470 0.000 0.000 0.221 148 S C 1.978 176.631 174.600 0.088 0.000 1.031 148 S CA 0.798 59.066 58.200 0.112 0.000 0.982 148 S CB -0.217 63.063 63.200 0.133 0.000 0.853 148 S HN 0.184 nan 8.310 nan 0.000 0.458 149 R N 1.631 122.192 120.500 0.102 0.000 2.091 149 R HA 0.038 4.378 4.340 0.000 0.000 0.238 149 R C 1.912 178.224 176.300 0.021 0.000 1.136 149 R CA 1.354 57.489 56.100 0.058 0.000 0.959 149 R CB -0.831 29.508 30.300 0.065 0.000 0.856 149 R HN 0.437 nan 8.270 nan 0.000 0.437 150 I N 0.801 121.385 120.570 0.025 0.000 2.208 150 I HA -0.295 3.876 4.170 0.000 0.000 0.245 150 I C 1.422 177.495 176.117 -0.073 0.000 1.097 150 I CA 1.671 62.927 61.300 -0.074 0.000 1.363 150 I CB -0.340 37.544 38.000 -0.194 0.000 1.051 150 I HN 0.357 nan 8.210 nan 0.000 0.413 151 Q N -0.136 119.646 119.800 -0.029 0.000 2.297 151 Q HA 0.069 4.409 4.340 0.000 0.000 0.265 151 Q C -0.283 175.718 176.000 0.002 0.000 0.904 151 Q CA 0.091 55.881 55.803 -0.022 0.000 0.969 151 Q CB -0.094 28.632 28.738 -0.019 0.000 1.115 151 Q HN 0.249 nan 8.270 nan 0.000 0.433 152 D N 1.862 122.264 120.400 0.003 0.000 2.463 152 D HA 0.081 4.721 4.640 0.000 0.000 0.224 152 D C -0.382 175.919 176.300 0.001 0.000 1.174 152 D CA 0.011 54.016 54.000 0.007 0.000 0.829 152 D CB 0.402 41.205 40.800 0.005 0.000 0.993 152 D HN 0.475 nan 8.370 nan 0.000 0.497 153 R N -1.642 118.857 120.500 -0.001 0.000 2.628 153 R HA 0.678 5.019 4.340 0.000 0.000 0.288 153 R C 0.304 176.605 176.300 0.001 0.000 0.980 153 R CA -0.874 55.228 56.100 0.003 0.000 0.891 153 R CB 1.494 31.802 30.300 0.014 0.000 1.188 153 R HN -0.145 nan 8.270 nan 0.000 0.450 154 G N 1.473 110.274 108.800 0.001 0.000 2.865 154 G HA2 0.003 3.963 3.960 0.000 0.000 0.204 154 G HA3 0.003 3.963 3.960 0.000 0.000 0.204 154 G C 0.259 175.158 174.900 -0.001 0.000 1.140 154 G CA 0.417 45.517 45.100 -0.001 0.000 0.842 154 G HN 0.760 nan 8.290 nan 0.000 0.631 155 D N 0.800 121.199 120.400 -0.000 0.000 2.052 155 D HA -0.243 4.397 4.640 0.000 0.000 0.623 155 D C 0.751 177.050 176.300 -0.002 0.000 0.591 155 D CA 2.552 56.552 54.000 -0.001 0.000 1.639 155 D CB -0.362 40.441 40.800 0.004 0.000 0.220 155 D HN 0.627 nan 8.370 nan 0.000 0.184 156 Q N -2.533 117.271 119.800 0.007 0.000 2.952 156 Q HA 0.455 4.795 4.340 0.000 0.000 0.237 156 Q C -1.553 174.458 176.000 0.018 0.000 0.949 156 Q CA 0.304 56.112 55.803 0.008 0.000 0.911 156 Q CB 0.048 28.779 28.738 -0.012 0.000 2.031 156 Q HN 1.374 nan 8.270 nan 0.000 0.602 157 A N -0.078 122.762 122.820 0.033 0.000 2.433 157 A HA 0.307 4.627 4.320 0.000 0.000 0.685 157 A C -1.558 176.089 177.584 0.104 0.000 0.144 157 A CA -0.160 51.895 52.037 0.030 0.000 0.043 157 A CB -1.415 17.580 19.000 -0.009 0.000 3.967 157 A HN 1.790 nan 8.150 nan 0.000 0.547 158 F N 3.910 123.832 119.950 -0.047 0.000 2.467 158 F HA 0.788 5.315 4.527 0.000 0.000 0.336 158 F C 0.598 176.374 175.800 -0.040 0.000 1.123 158 F CA 0.510 58.490 58.000 -0.033 0.000 0.964 158 F CB 1.786 40.771 39.000 -0.024 0.000 1.136 158 F HN 1.177 nan 8.300 nan 0.000 0.447 159 T N 1.017 115.286 114.554 -0.476 0.000 2.940 159 T HA 0.305 4.655 4.350 0.000 0.000 0.288 159 T C 0.654 175.103 174.700 -0.418 0.000 1.045 159 T CA -0.544 61.368 62.100 -0.313 0.000 1.018 159 T CB 1.631 70.376 68.868 -0.206 0.000 1.151 159 T HN 0.794 nan 8.240 nan 0.000 0.529 160 E N -0.166 119.913 120.200 -0.202 0.000 2.208 160 E HA -0.081 4.269 4.350 0.000 0.000 0.193 160 E C 2.144 178.645 176.600 -0.165 0.000 0.988 160 E CA 0.422 56.773 56.400 -0.080 0.000 0.828 160 E CB 0.059 29.795 29.700 0.059 0.000 0.763 160 E HN 0.659 nan 8.360 nan 0.000 0.478 161 R N 0.880 121.237 120.500 -0.238 0.000 2.073 161 R HA -0.125 4.215 4.340 0.000 0.000 0.229 161 R C 2.249 178.341 176.300 -0.347 0.000 1.120 161 R CA 1.635 57.548 56.100 -0.310 0.000 0.967 161 R CB -0.072 30.090 30.300 -0.230 0.000 0.862 161 R HN 0.150 nan 8.270 nan 0.000 0.436 162 E N -0.239 119.739 120.200 -0.369 0.000 2.077 162 E HA -0.209 4.141 4.350 0.000 0.000 0.193 162 E C 1.743 178.147 176.600 -0.325 0.000 0.989 162 E CA 1.200 57.380 56.400 -0.367 0.000 0.800 162 E CB -0.120 29.272 29.700 -0.513 0.000 0.746 162 E HN 0.467 nan 8.360 nan 0.000 0.452 163 A N 0.721 123.300 122.820 -0.401 0.000 1.883 163 A HA -0.235 4.086 4.320 0.000 0.000 0.217 163 A C 2.340 179.853 177.584 -0.118 0.000 1.186 163 A CA 2.077 54.067 52.037 -0.078 0.000 0.624 163 A CB -1.013 18.044 19.000 0.095 0.000 0.822 163 A HN 0.388 nan 8.150 nan 0.000 0.444 164 S N -0.294 115.113 115.700 -0.490 0.000 2.359 164 S HA -0.265 4.205 4.470 0.000 0.000 0.223 164 S C 1.871 176.216 174.600 -0.426 0.000 1.039 164 S CA 1.927 59.550 58.200 -0.962 0.000 1.042 164 S CB -0.480 61.869 63.200 -1.418 0.000 0.915 164 S HN 0.660 nan 8.310 nan 0.000 0.439 165 E N 0.550 120.567 120.200 -0.305 0.000 2.023 165 E HA -0.147 4.203 4.350 0.000 0.000 0.196 165 E C 2.129 178.676 176.600 -0.088 0.000 1.003 165 E CA 1.693 57.991 56.400 -0.171 0.000 0.809 165 E CB -0.426 29.194 29.700 -0.133 0.000 0.755 165 E HN 0.578 nan 8.360 nan 0.000 0.449 166 I N 0.847 121.397 120.570 -0.033 0.000 2.113 166 I HA -0.357 3.813 4.170 0.000 0.000 0.242 166 I C 2.493 178.620 176.117 0.016 0.000 1.057 166 I CA 1.140 62.454 61.300 0.023 0.000 1.314 166 I CB -0.251 37.820 38.000 0.118 0.000 1.022 166 I HN 0.214 nan 8.210 nan 0.000 0.408 167 M N 0.015 119.665 119.600 0.082 0.000 2.213 167 M HA -0.208 4.272 4.480 0.000 0.000 0.263 167 M C 2.275 178.685 176.300 0.182 0.000 1.062 167 M CA 1.583 56.999 55.300 0.192 0.000 1.105 167 M CB -1.135 31.723 32.600 0.429 0.000 1.385 167 M HN 0.237 nan 8.290 nan 0.000 0.417 168 K N 0.386 120.823 120.400 0.062 0.000 2.148 168 K HA -0.111 4.209 4.320 0.000 0.000 0.204 168 K C 2.133 178.706 176.600 -0.045 0.000 1.050 168 K CA 1.675 57.992 56.287 0.051 0.000 0.942 168 K CB 0.039 32.516 32.500 -0.039 0.000 0.724 168 K HN 0.303 nan 8.250 nan 0.000 0.446 169 S N 0.328 115.942 115.700 -0.143 0.000 2.395 169 S HA -0.062 4.409 4.470 0.000 0.000 0.225 169 S C 1.966 176.350 174.600 -0.360 0.000 1.027 169 S CA 0.763 58.723 58.200 -0.399 0.000 0.965 169 S CB -0.397 62.548 63.200 -0.426 0.000 0.812 169 S HN 0.366 nan 8.310 nan 0.000 0.482 170 I N 2.135 122.594 120.570 -0.186 0.000 2.394 170 I HA 0.003 4.173 4.170 0.000 0.000 0.251 170 I C 2.832 178.863 176.117 -0.144 0.000 1.136 170 I CA 1.005 62.207 61.300 -0.163 0.000 1.425 170 I CB -0.855 37.061 38.000 -0.141 0.000 1.079 170 I HN 0.498 nan 8.210 nan 0.000 0.425 171 G N 0.377 109.132 108.800 -0.075 0.000 2.432 171 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 171 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 171 G C 1.540 176.425 174.900 -0.025 0.000 1.135 171 G CA 0.476 45.541 45.100 -0.060 0.000 0.767 171 G HN 0.406 nan 8.290 nan 0.000 0.550 172 E N 0.310 120.500 120.200 -0.017 0.000 2.152 172 E HA 0.090 4.440 4.350 0.000 0.000 0.192 172 E C 2.898 179.558 176.600 0.101 0.000 0.983 172 E CA 0.496 56.928 56.400 0.053 0.000 0.818 172 E CB -0.086 29.658 29.700 0.074 0.000 0.758 172 E HN 0.396 nan 8.360 nan 0.000 0.467 173 A N 1.690 124.550 122.820 0.066 0.000 1.865 173 A HA -0.201 4.119 4.320 0.000 0.000 0.217 173 A C 2.142 179.751 177.584 0.041 0.000 1.191 173 A CA 1.224 53.324 52.037 0.105 0.000 0.623 173 A CB -0.534 18.502 19.000 0.059 0.000 0.826 173 A HN 0.136 nan 8.150 nan 0.000 0.444 174 I N -0.142 120.364 120.570 -0.107 0.000 2.226 174 I HA -0.270 3.900 4.170 0.000 0.000 0.245 174 I C 2.686 178.636 176.117 -0.278 0.000 1.100 174 I CA 1.979 63.104 61.300 -0.291 0.000 1.374 174 I CB -1.525 36.205 38.000 -0.451 0.000 1.057 174 I HN 0.619 nan 8.210 nan 0.000 0.413 175 Q N 0.579 120.318 119.800 -0.101 0.000 2.061 175 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 175 Q C 2.475 178.505 176.000 0.050 0.000 0.984 175 Q CA 1.929 57.733 55.803 0.002 0.000 0.846 175 Q CB -0.387 28.392 28.738 0.068 0.000 0.902 175 Q HN 0.465 nan 8.270 nan 0.000 0.421 176 Y N 1.015 121.328 120.300 0.022 0.000 2.036 176 Y HA -0.317 4.233 4.550 0.000 0.000 0.273 176 Y C 1.967 177.913 175.900 0.076 0.000 1.135 176 Y CA 2.137 60.265 58.100 0.046 0.000 1.106 176 Y CB -0.607 37.880 38.460 0.045 0.000 0.976 176 Y HN 0.134 nan 8.280 nan 0.000 0.483 177 L N -0.517 120.770 121.223 0.108 0.000 1.987 177 L HA -0.443 3.897 4.340 0.000 0.000 0.230 177 L C 2.516 179.445 176.870 0.099 0.000 1.089 177 L CA 2.315 57.228 54.840 0.122 0.000 0.802 177 L CB -1.300 40.909 42.059 0.251 0.000 0.905 177 L HN 0.449 nan 8.230 nan 0.000 0.441 178 H N -0.833 118.230 119.070 -0.012 0.000 2.457 178 H HA -0.132 4.424 4.556 0.000 0.000 0.297 178 H C 2.453 177.746 175.328 -0.059 0.000 1.092 178 H CA 1.084 57.123 56.048 -0.016 0.000 1.309 178 H CB 0.059 29.827 29.762 0.009 0.000 1.382 178 H HN 0.491 nan 8.280 nan 0.000 0.535 179 S N 1.156 116.864 115.700 0.013 0.000 2.522 179 S HA -0.046 4.424 4.470 0.000 0.000 0.227 179 S C 1.520 176.039 174.600 -0.136 0.000 0.986 179 S CA 0.467 58.629 58.200 -0.065 0.000 0.929 179 S CB -0.478 62.663 63.200 -0.098 0.000 0.769 179 S HN 0.566 nan 8.310 nan 0.000 0.529 180 I N -1.934 118.526 120.570 -0.183 0.000 3.762 180 I HA 0.464 4.634 4.170 0.000 0.000 0.333 180 I C -0.646 175.434 176.117 -0.062 0.000 1.566 180 I CA -0.744 60.463 61.300 -0.154 0.000 1.129 180 I CB -1.233 36.620 38.000 -0.245 0.000 1.218 180 I HN 0.002 nan 8.210 nan 0.000 0.456 181 N N 1.676 120.355 118.700 -0.035 0.000 2.727 181 N HA -0.173 4.567 4.740 0.000 0.000 0.249 181 N C -0.664 174.852 175.510 0.011 0.000 1.048 181 N CA 0.763 53.801 53.050 -0.020 0.000 0.714 181 N CB -1.310 37.160 38.487 -0.028 0.000 0.959 181 N HN 0.583 nan 8.380 nan 0.000 0.544 182 I N -0.016 120.590 120.570 0.061 0.000 2.493 182 I HA 0.624 4.794 4.170 0.000 0.000 0.298 182 I C 0.287 176.506 176.117 0.169 0.000 0.998 182 I CA -0.924 60.447 61.300 0.119 0.000 1.137 182 I CB 1.737 39.849 38.000 0.187 0.000 1.310 182 I HN 0.155 nan 8.210 nan 0.000 0.445 183 A N 4.336 127.234 122.820 0.129 0.000 2.318 183 A HA 0.338 4.658 4.320 0.000 0.000 0.324 183 A C 0.395 178.090 177.584 0.185 0.000 1.170 183 A CA -0.427 51.708 52.037 0.162 0.000 0.810 183 A CB 0.538 19.571 19.000 0.054 0.000 1.198 183 A HN 0.903 nan 8.150 nan 0.000 0.484 184 H N 2.119 121.241 119.070 0.087 0.000 2.294 184 H HA 0.012 4.569 4.556 0.000 0.000 0.306 184 H C 0.673 175.991 175.328 -0.016 0.000 1.065 184 H CA 2.020 58.035 56.048 -0.054 0.000 1.343 184 H CB 0.095 29.743 29.762 -0.190 0.000 1.396 184 H HN 0.906 nan 8.280 nan 0.000 0.506 185 R N -0.608 120.040 120.500 0.246 0.000 3.584 185 R HA -0.155 4.185 4.340 0.000 0.000 0.488 185 R C -0.691 175.637 176.300 0.048 0.000 0.869 185 R CA 1.051 57.218 56.100 0.112 0.000 1.325 185 R CB -1.669 28.670 30.300 0.065 0.000 2.015 185 R HN 0.361 nan 8.270 nan 0.000 0.489 186 D N 0.193 120.755 120.400 0.270 0.000 2.997 186 D HA 0.175 4.815 4.640 0.000 0.000 0.362 186 D C -0.893 175.473 176.300 0.111 0.000 1.298 186 D CA -0.130 53.920 54.000 0.083 0.000 0.756 186 D CB 0.930 41.748 40.800 0.030 0.000 1.216 186 D HN -0.019 nan 8.370 nan 0.000 0.496 187 V N 3.404 123.298 119.914 -0.032 0.000 2.341 187 V HA 0.172 4.292 4.120 0.000 0.000 0.248 187 V C 0.389 176.425 176.094 -0.095 0.000 1.107 187 V CA 0.277 62.444 62.300 -0.222 0.000 1.069 187 V CB -0.363 31.319 31.823 -0.236 0.000 1.177 187 V HN 0.191 nan 8.190 nan 0.000 0.492 188 K N 4.497 124.854 120.400 -0.072 0.000 2.395 188 K HA 0.618 4.938 4.320 0.000 0.000 0.247 188 K C -2.471 174.113 176.600 -0.027 0.000 0.973 188 K CA -2.078 54.203 56.287 -0.010 0.000 0.828 188 K CB 1.743 34.258 32.500 0.025 0.000 1.272 188 K HN -0.053 nan 8.250 nan 0.000 0.439 189 P HA -0.244 nan 4.420 nan 0.000 0.220 189 P C 0.337 177.601 177.300 -0.059 0.000 1.155 189 P CA 1.650 64.741 63.100 -0.015 0.000 0.880 189 P CB 0.156 32.023 31.700 0.279 0.000 0.790 190 E N -1.768 118.440 120.200 0.014 0.000 2.482 190 E HA -0.018 4.332 4.350 0.000 0.000 0.196 190 E C 0.851 177.468 176.600 0.028 0.000 1.047 190 E CA 0.502 56.926 56.400 0.040 0.000 0.869 190 E CB -0.851 28.906 29.700 0.094 0.000 0.836 190 E HN 0.430 nan 8.360 nan 0.000 0.520 191 N N -0.201 118.492 118.700 -0.012 0.000 2.273 191 N HA 0.203 4.943 4.740 0.000 0.000 0.231 191 N C -0.846 174.615 175.510 -0.080 0.000 1.134 191 N CA -0.050 52.991 53.050 -0.015 0.000 0.856 191 N CB 0.580 39.058 38.487 -0.015 0.000 1.068 191 N HN -0.025 nan 8.380 nan 0.000 0.510 192 L N 2.010 123.158 121.223 -0.126 0.000 2.353 192 L HA 0.485 4.825 4.340 0.000 0.000 0.270 192 L C -1.167 175.569 176.870 -0.223 0.000 1.003 192 L CA -0.460 54.260 54.840 -0.200 0.000 0.862 192 L CB 1.140 43.033 42.059 -0.276 0.000 1.221 192 L HN -0.078 nan 8.230 nan 0.000 0.430 193 L N 2.385 123.499 121.223 -0.182 0.000 2.346 193 L HA 0.519 4.859 4.340 0.000 0.000 0.276 193 L C -0.782 175.978 176.870 -0.184 0.000 1.006 193 L CA -0.744 54.023 54.840 -0.123 0.000 0.817 193 L CB 1.588 43.638 42.059 -0.015 0.000 1.272 193 L HN 0.234 nan 8.230 nan 0.000 0.421 194 Y N 0.578 120.881 120.300 0.005 0.000 2.299 194 Y HA 0.122 4.672 4.550 0.000 0.000 0.326 194 Y C 1.717 177.626 175.900 0.015 0.000 1.164 194 Y CA -0.105 58.002 58.100 0.012 0.000 1.234 194 Y CB 1.579 40.043 38.460 0.007 0.000 1.219 194 Y HN 0.785 nan 8.280 nan 0.000 0.497 195 T N -1.412 113.264 114.554 0.204 0.000 2.614 195 T HA -0.051 4.299 4.350 0.000 0.000 0.263 195 T C 0.720 175.469 174.700 0.082 0.000 1.055 195 T CA 1.346 63.509 62.100 0.106 0.000 1.162 195 T CB -0.485 68.431 68.868 0.081 0.000 0.863 195 T HN 0.552 nan 8.240 nan 0.000 0.414 196 S N 0.680 116.429 115.700 0.080 0.000 2.851 196 S HA 0.631 5.101 4.470 0.000 0.000 0.317 196 S C -0.257 174.358 174.600 0.024 0.000 1.144 196 S CA -1.088 57.137 58.200 0.043 0.000 0.862 196 S CB 1.767 64.977 63.200 0.016 0.000 1.259 196 S HN 0.240 nan 8.310 nan 0.000 0.564 197 K N -0.363 120.037 120.400 -0.001 0.000 2.404 197 K HA 0.405 4.725 4.320 0.000 0.000 0.194 197 K C 0.369 176.940 176.600 -0.048 0.000 1.023 197 K CA -0.151 56.117 56.287 -0.032 0.000 1.094 197 K CB -0.323 32.168 32.500 -0.015 0.000 0.841 197 K HN 0.239 nan 8.250 nan 0.000 0.523 198 R N 1.799 122.280 120.500 -0.032 0.000 2.822 198 R HA 0.095 4.435 4.340 0.000 0.000 0.277 198 R C -1.261 175.009 176.300 -0.051 0.000 1.102 198 R CA -1.222 54.859 56.100 -0.031 0.000 1.207 198 R CB -0.211 30.080 30.300 -0.014 0.000 1.139 198 R HN 0.033 nan 8.270 nan 0.000 0.557 199 P HA -0.017 nan 4.420 nan 0.000 0.227 199 P C -0.627 176.647 177.300 -0.043 0.000 1.161 199 P CA 1.155 64.225 63.100 -0.049 0.000 0.788 199 P CB 0.481 32.161 31.700 -0.033 0.000 0.822 200 N N 0.238 118.925 118.700 -0.022 0.000 2.535 200 N HA 0.270 5.010 4.740 0.000 0.000 0.294 200 N C 0.009 175.537 175.510 0.029 0.000 1.408 200 N CA -0.213 52.837 53.050 -0.000 0.000 0.927 200 N CB 1.089 39.578 38.487 0.003 0.000 1.276 200 N HN 0.063 nan 8.380 nan 0.000 0.505 201 A N 0.876 123.711 122.820 0.024 0.000 2.520 201 A HA 0.273 4.593 4.320 0.000 0.000 0.235 201 A C 0.435 178.150 177.584 0.219 0.000 1.065 201 A CA 0.258 52.353 52.037 0.098 0.000 0.764 201 A CB 0.202 19.245 19.000 0.071 0.000 1.002 201 A HN 0.327 nan 8.150 nan 0.000 0.502 202 I N 1.229 121.936 120.570 0.228 0.000 2.437 202 I HA 0.243 4.413 4.170 0.000 0.000 0.298 202 I C -0.111 176.140 176.117 0.224 0.000 0.984 202 I CA -0.604 60.832 61.300 0.227 0.000 1.214 202 I CB 1.582 39.645 38.000 0.105 0.000 1.365 202 I HN 0.599 nan 8.210 nan 0.000 0.469 203 L N 7.185 128.481 121.223 0.122 0.000 2.319 203 L HA 0.343 4.683 4.340 0.000 0.000 0.280 203 L C -0.492 176.376 176.870 -0.003 0.000 1.099 203 L CA 0.517 55.220 54.840 -0.229 0.000 0.828 203 L CB -0.107 41.742 42.059 -0.349 0.000 1.150 203 L HN 0.496 nan 8.230 nan 0.000 0.442 204 K N 3.975 124.329 120.400 -0.076 0.000 2.385 204 K HA 0.569 4.889 4.320 0.000 0.000 0.248 204 K C -1.555 175.032 176.600 -0.021 0.000 0.955 204 K CA -0.912 55.386 56.287 0.019 0.000 0.816 204 K CB 2.200 34.727 32.500 0.045 0.000 1.250 204 K HN 0.447 nan 8.250 nan 0.000 0.434 205 L N 0.929 122.164 121.223 0.020 0.000 2.325 205 L HA 0.550 4.890 4.340 0.000 0.000 0.279 205 L C -0.321 176.598 176.870 0.082 0.000 1.054 205 L CA 0.580 55.405 54.840 -0.025 0.000 0.804 205 L CB 1.756 43.757 42.059 -0.096 0.000 1.200 205 L HN 0.687 nan 8.230 nan 0.000 0.436 206 T N 2.001 116.591 114.554 0.060 0.000 2.831 206 T HA 0.501 4.852 4.350 0.000 0.000 0.287 206 T C -1.615 173.162 174.700 0.129 0.000 1.070 206 T CA -0.144 62.049 62.100 0.155 0.000 1.010 206 T CB 0.801 69.767 68.868 0.163 0.000 1.264 206 T HN 0.876 nan 8.240 nan 0.000 0.532 207 D N 0.237 120.717 120.400 0.134 0.000 4.494 207 D HA -0.137 4.503 4.640 0.000 0.000 0.243 207 D C -0.758 175.407 176.300 -0.225 0.000 1.082 207 D CA 0.328 54.369 54.000 0.069 0.000 1.170 207 D CB -1.236 39.633 40.800 0.116 0.000 0.792 207 D HN 0.416 nan 8.370 nan 0.000 0.376 208 F N 0.980 120.819 119.950 -0.185 0.000 2.668 208 F HA 0.372 4.899 4.527 0.000 0.000 0.297 208 F C 2.207 177.908 175.800 -0.165 0.000 1.124 208 F CA 0.230 58.076 58.000 -0.256 0.000 1.353 208 F CB 0.722 39.584 39.000 -0.231 0.000 0.992 208 F HN 0.399 nan 8.300 nan 0.000 0.524 209 G N -0.624 108.128 108.800 -0.080 0.000 2.498 209 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 209 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 209 G C 1.127 175.759 174.900 -0.447 0.000 1.119 209 G CA 0.722 45.677 45.100 -0.241 0.000 0.766 209 G HN 0.364 nan 8.290 nan 0.000 0.552 210 F N 0.680 120.559 119.950 -0.118 0.000 2.682 210 F HA 0.556 5.084 4.527 0.000 0.000 0.308 210 F C 1.592 177.336 175.800 -0.093 0.000 1.093 210 F CA -0.800 57.145 58.000 -0.092 0.000 1.244 210 F CB 0.328 39.275 39.000 -0.087 0.000 1.052 210 F HN 0.135 nan 8.300 nan 0.000 0.573 211 A N 1.114 123.948 122.820 0.023 0.000 2.406 211 A HA 0.540 4.861 4.320 0.000 0.000 0.243 211 A C 0.166 177.799 177.584 0.081 0.000 1.082 211 A CA 0.105 52.169 52.037 0.046 0.000 0.786 211 A CB 0.371 19.432 19.000 0.101 0.000 1.029 211 A HN 0.316 nan 8.150 nan 0.000 0.495 212 K N 0.079 120.528 120.400 0.081 0.000 2.551 212 K HA 0.338 4.658 4.320 0.000 0.000 0.269 212 K C -0.723 175.907 176.600 0.051 0.000 0.949 212 K CA -0.579 55.742 56.287 0.057 0.000 0.849 212 K CB 2.179 34.703 32.500 0.041 0.000 1.411 212 K HN 0.905 nan 8.250 nan 0.000 0.432 213 E N 0.317 120.537 120.200 0.034 0.000 3.466 213 E HA 0.465 4.816 4.350 0.000 0.000 0.265 213 E C -0.486 176.110 176.600 -0.007 0.000 1.291 213 E CA -0.785 55.627 56.400 0.020 0.000 1.226 213 E CB 0.792 30.504 29.700 0.020 0.000 1.404 213 E HN 0.471 nan 8.360 nan 0.000 0.697 214 T N -0.404 114.139 114.554 -0.018 0.000 2.868 214 T HA 0.522 4.872 4.350 0.000 0.000 0.306 214 T C -1.062 173.617 174.700 -0.035 0.000 1.224 214 T CA -0.685 61.392 62.100 -0.038 0.000 1.012 214 T CB 1.676 70.507 68.868 -0.060 0.000 1.221 214 T HN 0.739 nan 8.240 nan 0.000 0.499 228 Y N 1.055 121.276 120.300 -0.131 0.000 2.411 228 Y HA 0.213 4.763 4.550 0.000 0.000 0.333 228 Y C 1.195 176.956 175.900 -0.232 0.000 1.186 228 Y CA 0.237 58.093 58.100 -0.407 0.000 1.381 228 Y CB 0.291 38.522 38.460 -0.381 0.000 1.273 228 Y HN 0.420 nan 8.280 nan 0.000 0.546 229 Y N -1.653 118.764 120.300 0.195 0.000 2.666 229 Y HA 0.276 4.826 4.550 0.000 0.000 0.260 229 Y C 1.138 177.017 175.900 -0.036 0.000 1.089 229 Y CA -0.422 57.719 58.100 0.069 0.000 1.246 229 Y CB -1.272 37.243 38.460 0.092 0.000 1.353 229 Y HN 0.197 nan 8.280 nan 0.000 0.558 230 V N 2.038 121.828 119.914 -0.207 0.000 2.222 230 V HA -0.115 4.005 4.120 0.000 0.000 0.252 230 V C 1.238 177.305 176.094 -0.045 0.000 1.060 230 V CA 2.024 64.213 62.300 -0.185 0.000 1.027 230 V CB -1.353 30.209 31.823 -0.436 0.000 0.644 230 V HN 0.928 nan 8.190 nan 0.000 0.448 231 A N -2.428 120.362 122.820 -0.050 0.000 2.434 231 A HA 0.098 4.419 4.320 0.000 0.000 0.686 231 A C -1.532 176.037 177.584 -0.025 0.000 0.138 231 A CA -0.187 51.843 52.037 -0.012 0.000 0.026 231 A CB -1.696 17.310 19.000 0.010 0.000 3.973 231 A HN 0.250 nan 8.150 nan 0.000 0.548 232 P HA -0.171 nan 4.420 nan 0.000 0.217 232 P C 1.080 178.370 177.300 -0.016 0.000 1.148 232 P CA 2.214 65.309 63.100 -0.009 0.000 0.834 232 P CB 0.162 31.869 31.700 0.013 0.000 0.783 233 E N -1.000 119.194 120.200 -0.010 0.000 2.060 233 E HA -0.044 4.306 4.350 0.000 0.000 0.189 233 E C 1.724 178.308 176.600 -0.027 0.000 0.974 233 E CA 0.560 56.951 56.400 -0.016 0.000 0.808 233 E CB -1.284 28.415 29.700 -0.001 0.000 0.768 233 E HN -0.022 nan 8.360 nan 0.000 0.453 234 V N 1.587 121.484 119.914 -0.028 0.000 3.488 234 V HA -0.070 4.050 4.120 0.000 0.000 0.273 234 V C 0.312 176.371 176.094 -0.058 0.000 1.209 234 V CA 0.786 63.064 62.300 -0.037 0.000 1.179 234 V CB -1.318 30.487 31.823 -0.031 0.000 0.842 234 V HN 0.246 nan 8.190 nan 0.000 0.515 235 L N -0.965 120.222 121.223 -0.060 0.000 2.556 235 L HA 0.908 5.248 4.340 0.000 0.000 0.243 235 L C 0.098 176.939 176.870 -0.049 0.000 1.331 235 L CA -0.586 54.215 54.840 -0.065 0.000 0.927 235 L CB 0.423 42.430 42.059 -0.086 0.000 1.219 235 L HN 0.047 nan 8.230 nan 0.000 0.490 236 G N 1.798 110.572 108.800 -0.043 0.000 2.999 236 G HA2 -0.087 3.874 3.960 0.000 0.000 0.686 236 G HA3 -0.087 3.874 3.960 0.000 0.000 0.686 236 G C -2.186 172.684 174.900 -0.050 0.000 1.057 236 G CA -0.429 44.646 45.100 -0.042 0.000 0.784 236 G HN 0.522 nan 8.290 nan 0.000 0.575 237 P HA 0.214 nan 4.420 nan 0.000 0.296 237 P C 0.309 177.547 177.300 -0.103 0.000 1.407 237 P CA 1.031 64.085 63.100 -0.076 0.000 0.793 237 P CB 0.317 31.973 31.700 -0.073 0.000 1.675 238 E N -2.554 117.559 120.200 -0.145 0.000 7.427 238 E HA -0.014 4.337 4.350 0.000 0.000 0.205 238 E C -0.689 175.698 176.600 -0.354 0.000 0.897 238 E CA -0.261 56.026 56.400 -0.188 0.000 1.667 238 E CB -0.413 29.199 29.700 -0.146 0.000 0.894 238 E HN 0.053 nan 8.360 nan 0.000 0.287 239 K N 1.379 121.572 120.400 -0.346 0.000 2.343 239 K HA 0.181 4.501 4.320 0.000 0.000 0.250 239 K C 0.348 176.591 176.600 -0.596 0.000 1.087 239 K CA 0.556 56.536 56.287 -0.512 0.000 0.853 239 K CB 0.010 32.368 32.500 -0.236 0.000 1.133 239 K HN 0.479 nan 8.250 nan 0.000 0.509 240 Y N 0.406 120.684 120.300 -0.038 0.000 2.774 240 Y HA 0.086 4.636 4.550 0.001 0.000 0.305 240 Y C 0.398 176.270 175.900 -0.047 0.000 1.067 240 Y CA -0.545 57.530 58.100 -0.041 0.000 1.304 240 Y CB 0.220 38.660 38.460 -0.034 0.000 1.209 240 Y HN 0.482 nan 8.280 nan 0.000 0.543 241 D N -0.406 120.006 120.400 0.020 0.000 2.264 241 D HA -0.143 4.497 4.640 0.000 0.000 0.208 241 D C 1.781 178.082 176.300 0.003 0.000 0.966 241 D CA 0.801 54.806 54.000 0.009 0.000 0.864 241 D CB 0.138 40.932 40.800 -0.010 0.000 0.933 241 D HN 0.168 nan 8.370 nan 0.000 0.499 242 K N 0.723 121.092 120.400 -0.052 0.000 2.057 242 K HA -0.046 4.274 4.320 0.000 0.000 0.206 242 K C 1.878 178.494 176.600 0.028 0.000 1.050 242 K CA 1.256 57.437 56.287 -0.176 0.000 0.935 242 K CB -0.024 32.274 32.500 -0.336 0.000 0.715 242 K HN 0.174 nan 8.250 nan 0.000 0.439 243 S N -0.382 115.368 115.700 0.083 0.000 2.603 243 S HA -0.107 4.363 4.470 0.000 0.000 0.229 243 S C 2.161 176.840 174.600 0.132 0.000 0.972 243 S CA 0.706 58.979 58.200 0.122 0.000 0.935 243 S CB -0.993 62.268 63.200 0.101 0.000 0.769 243 S HN 0.551 nan 8.310 nan 0.000 0.536 244 C N -0.070 119.293 119.300 0.106 0.000 2.512 244 C HA 0.221 4.682 4.460 0.000 0.000 0.276 244 C C 1.991 177.071 174.990 0.150 0.000 1.368 244 C CA 0.070 59.149 59.018 0.101 0.000 1.755 244 C CB -0.867 26.878 27.740 0.010 0.000 2.008 244 C HN 0.308 nan 8.230 nan 0.000 0.511 245 D N 1.341 121.833 120.400 0.153 0.000 2.123 245 D HA -0.146 4.494 4.640 0.000 0.000 0.196 245 D C 1.950 178.297 176.300 0.079 0.000 0.992 245 D CA 1.565 55.642 54.000 0.128 0.000 0.833 245 D CB -0.374 40.569 40.800 0.238 0.000 0.954 245 D HN 0.439 nan 8.370 nan 0.000 0.455 246 M N -0.421 119.256 119.600 0.128 0.000 2.254 246 M HA -0.051 4.429 4.480 0.000 0.000 0.265 246 M C 1.712 178.080 176.300 0.114 0.000 1.066 246 M CA 0.798 56.141 55.300 0.072 0.000 1.123 246 M CB -0.303 32.369 32.600 0.121 0.000 1.388 246 M HN 0.236 nan 8.290 nan 0.000 0.425 247 W N -0.119 121.175 121.300 -0.011 0.000 2.402 247 W HA -0.117 4.543 4.660 0.001 0.000 0.286 247 W C 1.640 178.149 176.519 -0.018 0.000 1.221 247 W CA 1.584 58.924 57.345 -0.009 0.000 1.257 247 W CB -0.508 28.944 29.460 -0.013 0.000 1.120 247 W HN 0.174 nan 8.180 nan 0.000 0.551 248 S N 1.460 117.269 115.700 0.183 0.000 2.383 248 S HA -0.181 4.289 4.470 0.000 0.000 0.227 248 S C 1.733 176.304 174.600 -0.049 0.000 1.026 248 S CA 1.241 59.479 58.200 0.063 0.000 0.981 248 S CB -0.594 62.637 63.200 0.051 0.000 0.818 248 S HN 0.082 nan 8.310 nan 0.000 0.472 249 L N 1.892 123.057 121.223 -0.096 0.000 2.046 249 L HA -0.001 4.339 4.340 0.000 0.000 0.208 249 L C 2.574 179.405 176.870 -0.065 0.000 1.077 249 L CA 1.695 56.451 54.840 -0.140 0.000 0.747 249 L CB -1.563 40.283 42.059 -0.355 0.000 0.896 249 L HN 0.387 nan 8.230 nan 0.000 0.432 250 G N -1.207 107.530 108.800 -0.106 0.000 2.446 250 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 250 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 250 G C 1.647 176.443 174.900 -0.173 0.000 1.168 250 G CA 1.096 46.111 45.100 -0.142 0.000 0.771 250 G HN 0.271 nan 8.290 nan 0.000 0.551 251 V N 1.104 120.862 119.914 -0.260 0.000 2.295 251 V HA -0.175 3.945 4.120 0.000 0.000 0.246 251 V C 2.796 178.907 176.094 0.028 0.000 1.049 251 V CA 1.712 63.907 62.300 -0.175 0.000 1.024 251 V CB -0.439 31.309 31.823 -0.126 0.000 0.648 251 V HN 0.386 nan 8.190 nan 0.000 0.447 252 I N -0.931 119.676 120.570 0.062 0.000 2.179 252 I HA -0.319 3.851 4.170 0.000 0.000 0.242 252 I C 2.534 178.779 176.117 0.213 0.000 1.088 252 I CA 1.905 63.308 61.300 0.172 0.000 1.357 252 I CB -0.323 37.734 38.000 0.096 0.000 1.051 252 I HN 0.279 nan 8.210 nan 0.000 0.409 253 M N -0.448 119.252 119.600 0.167 0.000 2.080 253 M HA -0.310 4.170 4.480 0.000 0.000 0.260 253 M C 2.489 178.916 176.300 0.212 0.000 1.068 253 M CA 2.086 57.511 55.300 0.208 0.000 1.109 253 M CB -0.366 32.350 32.600 0.193 0.000 1.342 253 M HN 0.213 nan 8.290 nan 0.000 0.405 254 Y N 0.985 121.330 120.300 0.076 0.000 2.040 254 Y HA -0.347 4.203 4.550 0.000 0.000 0.275 254 Y C 1.956 177.894 175.900 0.065 0.000 1.171 254 Y CA 2.593 60.777 58.100 0.139 0.000 1.123 254 Y CB -0.499 37.909 38.460 -0.086 0.000 0.963 254 Y HN 0.210 nan 8.280 nan 0.000 0.493 255 I N -0.304 120.370 120.570 0.173 0.000 2.118 255 I HA -0.396 3.775 4.170 0.000 0.000 0.241 255 I C 2.547 178.564 176.117 -0.166 0.000 1.070 255 I CA 1.577 62.826 61.300 -0.085 0.000 1.327 255 I CB -0.590 37.270 38.000 -0.233 0.000 1.034 255 I HN 0.314 nan 8.210 nan 0.000 0.405 256 L N 0.020 121.286 121.223 0.071 0.000 2.079 256 L HA -0.241 4.099 4.340 0.000 0.000 0.210 256 L C 2.408 179.327 176.870 0.081 0.000 1.081 256 L CA 1.507 56.461 54.840 0.191 0.000 0.752 256 L CB -0.280 41.994 42.059 0.359 0.000 0.896 256 L HN 0.323 nan 8.230 nan 0.000 0.433 257 L N -1.137 120.025 121.223 -0.103 0.000 2.478 257 L HA -0.165 4.175 4.340 0.000 0.000 0.223 257 L C 2.004 178.440 176.870 -0.723 0.000 1.140 257 L CA 0.714 55.338 54.840 -0.359 0.000 0.842 257 L CB -0.107 41.686 42.059 -0.443 0.000 0.953 257 L HN 0.599 nan 8.230 nan 0.000 0.452 258 C N -5.304 113.583 119.300 -0.688 0.000 4.717 258 C HA 0.578 5.038 4.460 0.000 0.000 0.495 258 C C 1.409 176.129 174.990 -0.450 0.000 1.530 258 C CA 0.084 58.678 59.018 -0.707 0.000 2.309 258 C CB 0.594 27.651 27.740 -1.138 0.000 3.351 258 C HN 0.484 nan 8.230 nan 0.000 0.587 259 G N 0.715 109.242 108.800 -0.456 0.000 2.154 259 G HA2 0.041 4.001 3.960 0.000 0.000 0.186 259 G HA3 0.041 4.001 3.960 0.000 0.000 0.186 259 G C -0.425 174.360 174.900 -0.193 0.000 1.000 259 G CA 0.587 45.503 45.100 -0.307 0.000 0.664 259 G HN 1.841 nan 8.290 nan 0.000 0.513 260 Y N -2.867 117.375 120.300 -0.095 0.000 2.558 260 Y HA 0.747 5.297 4.550 0.000 0.000 0.333 260 Y C -3.031 172.957 175.900 0.146 0.000 1.125 260 Y CA -3.168 54.892 58.100 -0.066 0.000 1.039 260 Y CB 0.275 38.691 38.460 -0.073 0.000 1.331 260 Y HN 0.053 nan 8.280 nan 0.000 0.456 261 P HA 0.126 nan 4.420 nan 0.000 0.270 261 P C -1.953 175.417 177.300 0.117 0.000 1.223 261 P CA -1.160 62.060 63.100 0.200 0.000 0.785 261 P CB 0.649 32.465 31.700 0.195 0.000 0.923 262 P HA -0.065 nan 4.420 nan 0.000 0.221 262 P C -0.346 176.360 177.300 -0.991 0.000 1.150 262 P CA 1.502 63.746 63.100 -1.426 0.000 0.800 262 P CB 0.159 30.622 31.700 -2.062 0.000 0.787 263 F N 0.048 119.917 119.950 -0.136 0.000 2.612 263 F HA 0.370 4.897 4.527 0.000 0.000 0.332 263 F C -0.131 175.685 175.800 0.026 0.000 1.167 263 F CA -1.256 56.666 58.000 -0.130 0.000 0.970 263 F CB 1.347 40.317 39.000 -0.051 0.000 1.234 263 F HN -0.156 nan 8.300 nan 0.000 0.453 264 Y N -0.449 119.916 120.300 0.109 0.000 2.605 264 Y HA 0.690 5.240 4.550 0.000 0.000 0.343 264 Y C -0.235 175.657 175.900 -0.014 0.000 1.036 264 Y CA -1.834 56.290 58.100 0.041 0.000 1.065 264 Y CB 1.216 39.677 38.460 0.001 0.000 1.288 264 Y HN 0.339 nan 8.280 nan 0.000 0.481 265 S N 0.372 116.133 115.700 0.103 0.000 2.474 265 S HA 0.200 4.670 4.470 0.000 0.000 0.276 265 S C 0.033 174.465 174.600 -0.280 0.000 1.227 265 S CA -0.408 57.750 58.200 -0.070 0.000 1.050 265 S CB -0.261 62.928 63.200 -0.017 0.000 0.939 265 S HN 0.820 nan 8.310 nan 0.000 0.490 266 N N 2.873 121.443 118.700 -0.216 0.000 2.412 266 N HA 0.135 4.875 4.740 0.000 0.000 0.184 266 N C -0.289 175.074 175.510 -0.244 0.000 1.101 266 N CA 0.084 53.012 53.050 -0.205 0.000 0.881 266 N CB -0.120 38.322 38.487 -0.075 0.000 0.969 266 N HN 0.839 nan 8.380 nan 0.000 0.459 272 S N 0.503 116.225 115.700 0.037 0.000 2.502 272 S HA 0.161 4.631 4.470 0.000 0.000 0.228 272 S C -0.076 174.537 174.600 0.022 0.000 1.061 272 S CA 1.249 59.478 58.200 0.047 0.000 0.935 272 S CB -0.495 62.766 63.200 0.103 0.000 0.809 272 S HN 0.466 nan 8.310 nan 0.000 0.510 273 P HA 0.098 nan 4.420 nan 0.000 0.220 273 P C 1.812 179.104 177.300 -0.013 0.000 1.148 273 P CA 1.577 64.675 63.100 -0.002 0.000 0.803 273 P CB -0.801 30.900 31.700 0.001 0.000 0.782 274 G N 0.839 109.633 108.800 -0.009 0.000 2.514 274 G HA2 -0.317 3.643 3.960 0.000 0.000 0.217 274 G HA3 -0.317 3.643 3.960 0.000 0.000 0.217 274 G C 1.616 176.501 174.900 -0.026 0.000 1.198 274 G CA 1.371 46.458 45.100 -0.021 0.000 0.780 274 G HN 0.268 nan 8.290 nan 0.000 0.565 275 M N 0.193 119.782 119.600 -0.017 0.000 2.086 275 M HA -0.041 4.439 4.480 0.000 0.000 0.261 275 M C 2.610 178.876 176.300 -0.057 0.000 1.067 275 M CA 2.025 57.318 55.300 -0.012 0.000 1.116 275 M CB -0.221 32.395 32.600 0.026 0.000 1.348 275 M HN 0.152 nan 8.290 nan 0.000 0.407 276 K N -0.484 119.883 120.400 -0.055 0.000 2.089 276 K HA -0.181 4.139 4.320 0.000 0.000 0.210 276 K C 1.859 178.391 176.600 -0.112 0.000 1.048 276 K CA 2.231 58.465 56.287 -0.089 0.000 0.926 276 K CB -0.467 31.995 32.500 -0.063 0.000 0.714 276 K HN 0.445 nan 8.250 nan 0.000 0.448 277 T N 0.195 114.702 114.554 -0.077 0.000 2.701 277 T HA -0.094 4.257 4.350 0.000 0.000 0.263 277 T C 1.786 176.443 174.700 -0.072 0.000 1.040 277 T CA 1.026 63.085 62.100 -0.070 0.000 1.147 277 T CB -0.097 68.744 68.868 -0.044 0.000 0.865 277 T HN 0.202 nan 8.240 nan 0.000 0.426 278 R N 0.137 120.608 120.500 -0.048 0.000 2.117 278 R HA -0.069 4.271 4.340 0.000 0.000 0.243 278 R C 2.297 178.525 176.300 -0.120 0.000 1.143 278 R CA 1.320 57.427 56.100 0.012 0.000 0.968 278 R CB -0.430 29.931 30.300 0.101 0.000 0.863 278 R HN 0.440 nan 8.270 nan 0.000 0.444 279 I N -0.204 120.132 120.570 -0.389 0.000 2.233 279 I HA -0.240 3.930 4.170 0.000 0.000 0.243 279 I C 2.369 178.281 176.117 -0.341 0.000 1.093 279 I CA 1.181 62.067 61.300 -0.690 0.000 1.380 279 I CB -0.184 37.450 38.000 -0.612 0.000 1.067 279 I HN 0.100 nan 8.210 nan 0.000 0.413 280 R N -0.037 120.326 120.500 -0.228 0.000 2.092 280 R HA -0.095 4.245 4.340 0.000 0.000 0.231 280 R C 2.185 178.435 176.300 -0.084 0.000 1.119 280 R CA 1.119 57.120 56.100 -0.165 0.000 0.970 280 R CB -0.283 29.936 30.300 -0.135 0.000 0.864 280 R HN 0.254 nan 8.270 nan 0.000 0.440 281 M N -0.302 119.267 119.600 -0.051 0.000 2.358 281 M HA -0.006 4.474 4.480 0.000 0.000 0.264 281 M C 1.018 177.358 176.300 0.067 0.000 1.064 281 M CA 1.152 56.453 55.300 0.001 0.000 1.093 281 M CB -1.053 31.550 32.600 0.006 0.000 1.401 281 M HN 0.444 nan 8.290 nan 0.000 0.440 282 G N 1.671 110.553 108.800 0.137 0.000 2.298 282 G HA2 -0.256 3.704 3.960 0.000 0.000 0.287 282 G HA3 -0.256 3.704 3.960 0.000 0.000 0.287 282 G C 0.038 175.165 174.900 0.379 0.000 1.075 282 G CA 0.252 45.563 45.100 0.351 0.000 0.960 282 G HN 0.556 nan 8.290 nan 0.000 0.502 283 Q N -0.150 119.909 119.800 0.432 0.000 2.466 283 Q HA 0.612 4.952 4.340 0.000 0.000 0.242 283 Q C -0.247 175.886 176.000 0.222 0.000 1.046 283 Q CA -1.031 54.902 55.803 0.217 0.000 0.841 283 Q CB 0.513 29.306 28.738 0.092 0.000 1.193 283 Q HN 0.770 nan 8.270 nan 0.000 0.508 284 Y N 0.514 120.685 120.300 -0.216 0.000 2.670 284 Y HA 0.616 5.166 4.550 0.000 0.000 0.334 284 Y C -1.153 174.436 175.900 -0.518 0.000 1.185 284 Y CA -1.303 56.483 58.100 -0.522 0.000 1.053 284 Y CB 0.912 38.748 38.460 -1.040 0.000 1.298 284 Y HN 0.486 nan 8.280 nan 0.000 0.459 285 E N 0.491 120.405 120.200 -0.475 0.000 2.431 285 E HA 0.575 4.925 4.350 0.000 0.000 0.268 285 E C -1.931 174.255 176.600 -0.690 0.000 0.953 285 E CA -1.157 54.896 56.400 -0.578 0.000 0.810 285 E CB 2.110 31.633 29.700 -0.295 0.000 1.369 285 E HN 0.507 nan 8.360 nan 0.000 0.440 286 F N 0.836 120.584 119.950 -0.337 0.000 2.395 286 F HA 0.353 4.880 4.527 0.000 0.000 0.347 286 F C -2.104 173.567 175.800 -0.216 0.000 1.157 286 F CA -2.076 55.494 58.000 -0.716 0.000 1.272 286 F CB 0.584 39.105 39.000 -0.798 0.000 1.607 286 F HN 0.125 nan 8.300 nan 0.000 0.571 287 P HA -0.043 nan 4.420 nan 0.000 0.266 287 P C -0.303 177.210 177.300 0.354 0.000 1.193 287 P CA 0.170 63.424 63.100 0.256 0.000 0.770 287 P CB 0.587 32.461 31.700 0.289 0.000 0.836 288 N N 3.082 121.900 118.700 0.196 0.000 2.493 288 N HA 0.165 4.905 4.740 0.000 0.000 0.275 288 N C -1.237 174.318 175.510 0.076 0.000 1.186 288 N CA -1.638 51.492 53.050 0.133 0.000 0.978 288 N CB -0.249 38.291 38.487 0.087 0.000 1.184 288 N HN 0.336 nan 8.380 nan 0.000 0.487 289 P HA -0.003 nan 4.420 nan 0.000 0.225 289 P C 0.351 177.525 177.300 -0.211 0.000 1.156 289 P CA 0.936 63.995 63.100 -0.068 0.000 0.787 289 P CB 0.582 32.227 31.700 -0.092 0.000 0.802 290 E N -0.266 119.779 120.200 -0.258 0.000 2.085 290 E HA -0.165 4.186 4.350 0.000 0.000 0.194 290 E C 1.217 177.618 176.600 -0.333 0.000 0.994 290 E CA 1.489 57.606 56.400 -0.471 0.000 0.801 290 E CB -0.723 28.843 29.700 -0.224 0.000 0.743 290 E HN 0.424 nan 8.360 nan 0.000 0.453 291 W N -0.053 121.217 121.300 -0.050 0.000 3.278 291 W HA 0.254 4.914 4.660 0.000 0.000 0.308 291 W C 1.714 178.216 176.519 -0.028 0.000 1.253 291 W CA -0.084 57.245 57.345 -0.026 0.000 1.759 291 W CB 0.090 29.575 29.460 0.042 0.000 1.093 291 W HN -0.105 nan 8.180 nan 0.000 0.648 292 S N 0.972 116.763 115.700 0.153 0.000 2.420 292 S HA -0.219 4.251 4.470 0.000 0.000 0.237 292 S C 1.360 176.004 174.600 0.073 0.000 1.023 292 S CA 1.851 60.113 58.200 0.102 0.000 0.991 292 S CB -0.292 62.953 63.200 0.075 0.000 0.792 292 S HN 0.602 nan 8.310 nan 0.000 0.488 293 E N -0.227 120.010 120.200 0.061 0.000 2.921 293 E HA 0.205 4.556 4.350 0.000 0.000 0.203 293 E C -0.785 175.829 176.600 0.024 0.000 0.975 293 E CA -0.172 56.251 56.400 0.038 0.000 1.225 293 E CB 0.101 29.822 29.700 0.035 0.000 1.048 293 E HN 0.104 nan 8.360 nan 0.000 0.477 294 V N 3.044 122.975 119.914 0.028 0.000 2.479 294 V HA 0.044 4.165 4.120 0.000 0.000 0.281 294 V C 0.981 177.073 176.094 -0.004 0.000 1.031 294 V CA 0.037 62.346 62.300 0.015 0.000 1.038 294 V CB 0.706 32.567 31.823 0.063 0.000 0.981 294 V HN 0.443 nan 8.190 nan 0.000 0.478 295 S N 3.230 118.919 115.700 -0.018 0.000 2.563 295 S HA -0.006 4.464 4.470 0.000 0.000 0.269 295 S C 1.071 175.611 174.600 -0.099 0.000 1.364 295 S CA 0.270 58.448 58.200 -0.037 0.000 1.010 295 S CB 0.732 63.927 63.200 -0.008 0.000 0.877 295 S HN 0.796 nan 8.310 nan 0.000 0.549 296 E N 1.059 121.206 120.200 -0.089 0.000 2.106 296 E HA -0.172 4.178 4.350 0.000 0.000 0.192 296 E C 2.049 178.558 176.600 -0.151 0.000 0.984 296 E CA 1.866 58.190 56.400 -0.127 0.000 0.806 296 E CB -0.482 29.169 29.700 -0.083 0.000 0.750 296 E HN 0.922 nan 8.360 nan 0.000 0.458 297 E N -0.284 119.852 120.200 -0.107 0.000 2.085 297 E HA -0.179 4.171 4.350 0.000 0.000 0.194 297 E C 1.989 178.445 176.600 -0.240 0.000 0.994 297 E CA 1.710 58.053 56.400 -0.095 0.000 0.801 297 E CB -0.469 29.234 29.700 0.005 0.000 0.743 297 E HN 0.136 nan 8.360 nan 0.000 0.453 298 V N 1.564 121.244 119.914 -0.391 0.000 2.282 298 V HA -0.301 3.819 4.120 0.000 0.000 0.249 298 V C 2.370 178.206 176.094 -0.430 0.000 1.057 298 V CA 2.449 64.358 62.300 -0.653 0.000 1.032 298 V CB -0.652 30.740 31.823 -0.717 0.000 0.645 298 V HN 0.259 nan 8.190 nan 0.000 0.447 299 K N -0.750 119.410 120.400 -0.399 0.000 2.152 299 K HA -0.189 4.131 4.320 0.000 0.000 0.206 299 K C 2.083 178.536 176.600 -0.246 0.000 1.048 299 K CA 1.738 57.693 56.287 -0.553 0.000 0.933 299 K CB -0.273 31.688 32.500 -0.898 0.000 0.721 299 K HN 0.304 nan 8.250 nan 0.000 0.447 300 M N 0.607 120.099 119.600 -0.180 0.000 2.288 300 M HA -0.023 4.457 4.480 0.000 0.000 0.266 300 M C 1.740 178.015 176.300 -0.043 0.000 1.072 300 M CA 1.011 56.271 55.300 -0.066 0.000 1.132 300 M CB -0.081 32.495 32.600 -0.040 0.000 1.386 300 M HN 0.096 nan 8.290 nan 0.000 0.432 301 L N 0.072 121.210 121.223 -0.142 0.000 2.027 301 L HA -0.066 4.274 4.340 0.000 0.000 0.206 301 L C 2.041 178.864 176.870 -0.078 0.000 1.074 301 L CA 1.863 56.587 54.840 -0.192 0.000 0.745 301 L CB -0.896 40.851 42.059 -0.521 0.000 0.898 301 L HN 0.374 nan 8.230 nan 0.000 0.433 302 I N -0.520 120.008 120.570 -0.071 0.000 2.194 302 I HA -0.348 3.822 4.170 0.000 0.000 0.246 302 I C 2.665 178.829 176.117 0.079 0.000 1.093 302 I CA 1.368 62.688 61.300 0.033 0.000 1.355 302 I CB -0.354 37.743 38.000 0.160 0.000 1.046 302 I HN 0.310 nan 8.210 nan 0.000 0.413 303 R N 0.500 121.082 120.500 0.137 0.000 2.081 303 R HA -0.159 4.181 4.340 0.000 0.000 0.235 303 R C 2.018 178.391 176.300 0.121 0.000 1.131 303 R CA 1.721 57.928 56.100 0.178 0.000 0.960 303 R CB -0.504 29.894 30.300 0.163 0.000 0.856 303 R HN 0.353 nan 8.270 nan 0.000 0.436 304 N N 0.379 119.132 118.700 0.089 0.000 2.272 304 N HA -0.113 4.627 4.740 0.000 0.000 0.185 304 N C 1.488 177.061 175.510 0.106 0.000 1.014 304 N CA 0.908 54.016 53.050 0.096 0.000 0.870 304 N CB 0.066 38.613 38.487 0.099 0.000 0.975 304 N HN 0.169 nan 8.380 nan 0.000 0.433 305 L N -0.764 120.507 121.223 0.079 0.000 2.253 305 L HA 0.131 4.471 4.340 0.000 0.000 0.205 305 L C 0.867 177.760 176.870 0.038 0.000 1.078 305 L CA 0.401 55.281 54.840 0.067 0.000 0.805 305 L CB 0.080 42.159 42.059 0.034 0.000 0.963 305 L HN 0.123 nan 8.230 nan 0.000 0.459 306 L N 0.461 121.650 121.223 -0.056 0.000 2.737 306 L HA 0.098 4.439 4.340 0.000 0.000 0.236 306 L C 0.234 177.255 176.870 0.251 0.000 1.219 306 L CA -0.169 54.559 54.840 -0.187 0.000 1.021 306 L CB -0.319 41.428 42.059 -0.521 0.000 1.291 306 L HN 0.037 nan 8.230 nan 0.000 0.470 307 K N 0.690 121.253 120.400 0.272 0.000 2.412 307 K HA 0.044 4.364 4.320 0.000 0.000 0.281 307 K C 1.461 178.244 176.600 0.306 0.000 1.027 307 K CA 0.150 56.590 56.287 0.253 0.000 0.989 307 K CB 1.300 33.890 32.500 0.151 0.000 0.935 307 K HN 0.171 nan 8.250 nan 0.000 0.475 308 T N -1.386 113.303 114.554 0.225 0.000 2.995 308 T HA -0.038 4.312 4.350 0.000 0.000 0.269 308 T C 0.647 175.341 174.700 -0.011 0.000 1.091 308 T CA 0.448 62.604 62.100 0.094 0.000 1.128 308 T CB 0.192 69.084 68.868 0.041 0.000 0.891 308 T HN 0.284 nan 8.240 nan 0.000 0.492 309 E N 2.672 122.877 120.200 0.008 0.000 2.129 309 E HA 0.206 4.557 4.350 0.000 0.000 0.283 309 E C -1.622 174.934 176.600 -0.073 0.000 1.080 309 E CA -2.717 53.653 56.400 -0.051 0.000 0.867 309 E CB 1.481 31.154 29.700 -0.045 0.000 1.056 309 E HN 0.157 nan 8.360 nan 0.000 0.404 310 P HA -0.220 nan 4.420 nan 0.000 0.217 310 P C 1.202 178.377 177.300 -0.209 0.000 1.162 310 P CA 2.075 65.078 63.100 -0.163 0.000 0.901 310 P CB -0.024 31.527 31.700 -0.248 0.000 0.793 311 T N -3.781 110.567 114.554 -0.344 0.000 3.051 311 T HA -0.118 4.232 4.350 0.000 0.000 0.269 311 T C 1.836 176.472 174.700 -0.107 0.000 1.127 311 T CA 0.894 62.813 62.100 -0.301 0.000 1.107 311 T CB -0.657 68.000 68.868 -0.352 0.000 0.898 311 T HN 0.227 nan 8.240 nan 0.000 0.517 312 Q N 0.250 120.013 119.800 -0.061 0.000 2.212 312 Q HA 0.147 4.487 4.340 0.000 0.000 0.199 312 Q C 1.073 177.097 176.000 0.040 0.000 0.950 312 Q CA 0.150 55.953 55.803 -0.000 0.000 0.863 312 Q CB 0.171 28.919 28.738 0.016 0.000 0.944 312 Q HN 0.515 nan 8.270 nan 0.000 0.465 313 R N 1.040 121.573 120.500 0.054 0.000 2.817 313 R HA -0.006 4.335 4.340 0.000 0.000 0.264 313 R C 0.496 176.856 176.300 0.100 0.000 1.009 313 R CA 0.096 56.254 56.100 0.097 0.000 1.133 313 R CB 0.257 30.630 30.300 0.121 0.000 1.013 313 R HN 0.200 nan 8.270 nan 0.000 0.453 314 M N -0.620 119.056 119.600 0.127 0.000 2.283 314 M HA 0.304 4.784 4.480 0.000 0.000 0.314 314 M C 0.020 176.412 176.300 0.153 0.000 1.153 314 M CA -0.417 54.969 55.300 0.145 0.000 1.084 314 M CB 1.307 34.014 32.600 0.178 0.000 1.468 314 M HN 0.546 nan 8.290 nan 0.000 0.474 315 T N -0.609 114.042 114.554 0.162 0.000 2.934 315 T HA 0.404 4.754 4.350 0.000 0.000 0.283 315 T C 1.345 176.161 174.700 0.194 0.000 1.005 315 T CA -1.083 61.118 62.100 0.168 0.000 1.041 315 T CB 0.827 69.782 68.868 0.144 0.000 1.042 315 T HN 0.689 nan 8.240 nan 0.000 0.505 316 I N -0.364 120.313 120.570 0.177 0.000 2.614 316 I HA -0.065 4.105 4.170 0.000 0.000 0.258 316 I C 1.808 178.054 176.117 0.214 0.000 1.189 316 I CA 0.930 62.322 61.300 0.153 0.000 1.462 316 I CB -2.764 35.252 38.000 0.028 0.000 1.092 316 I HN 0.635 nan 8.210 nan 0.000 0.442 317 T N 1.507 116.166 114.554 0.175 0.000 2.821 317 T HA -0.125 4.225 4.350 0.000 0.000 0.267 317 T C 1.786 176.588 174.700 0.169 0.000 1.046 317 T CA 1.664 63.856 62.100 0.152 0.000 1.139 317 T CB -0.145 68.792 68.868 0.115 0.000 0.871 317 T HN 0.484 nan 8.240 nan 0.000 0.454 318 E N 0.246 120.557 120.200 0.184 0.000 2.107 318 E HA 0.002 4.353 4.350 0.000 0.000 0.191 318 E C 1.765 178.508 176.600 0.239 0.000 0.982 318 E CA 0.561 57.069 56.400 0.181 0.000 0.809 318 E CB -0.250 29.551 29.700 0.168 0.000 0.756 318 E HN 0.467 nan 8.360 nan 0.000 0.459 319 F N 1.094 121.117 119.950 0.121 0.000 2.091 319 F HA -0.249 4.278 4.527 0.000 0.000 0.299 319 F C 2.063 177.950 175.800 0.145 0.000 1.103 319 F CA 1.403 59.477 58.000 0.124 0.000 1.228 319 F CB 0.068 39.116 39.000 0.080 0.000 0.984 319 F HN -0.022 nan 8.300 nan 0.000 0.477 320 M N -0.285 119.501 119.600 0.309 0.000 2.492 320 M HA -0.077 4.404 4.480 0.000 0.000 0.262 320 M C 0.976 177.329 176.300 0.089 0.000 1.090 320 M CA 1.152 56.568 55.300 0.192 0.000 1.110 320 M CB -1.175 31.555 32.600 0.217 0.000 1.407 320 M HN 0.236 nan 8.290 nan 0.000 0.470 321 N N -0.708 118.052 118.700 0.099 0.000 2.322 321 N HA -0.027 4.713 4.740 0.000 0.000 0.194 321 N C 0.353 175.889 175.510 0.043 0.000 1.126 321 N CA -0.046 53.041 53.050 0.061 0.000 0.845 321 N CB 0.180 38.703 38.487 0.060 0.000 0.976 321 N HN 0.232 nan 8.380 nan 0.000 0.475 322 H N 0.950 119.991 119.070 -0.049 0.000 2.652 322 H HA 0.091 4.648 4.556 0.000 0.000 0.349 322 H C -1.712 173.604 175.328 -0.020 0.000 1.099 322 H CA -1.500 54.519 56.048 -0.049 0.000 1.417 322 H CB 1.535 31.225 29.762 -0.119 0.000 1.457 322 H HN -0.018 nan 8.280 nan 0.000 0.568 323 P HA -0.122 nan 4.420 nan 0.000 0.220 323 P C 1.192 178.603 177.300 0.186 0.000 1.148 323 P CA 1.046 64.161 63.100 0.025 0.000 0.803 323 P CB -0.077 31.588 31.700 -0.059 0.000 0.782 324 W N -0.514 120.910 121.300 0.206 0.000 2.584 324 W HA 0.018 4.678 4.660 0.000 0.000 0.264 324 W C 1.459 177.946 176.519 -0.053 0.000 1.264 324 W CA 0.753 58.130 57.345 0.054 0.000 1.306 324 W CB -0.063 29.412 29.460 0.024 0.000 1.110 324 W HN -0.220 nan 8.180 nan 0.000 0.606 325 I N -0.196 120.422 120.570 0.080 0.000 2.731 325 I HA -0.103 4.067 4.170 0.000 0.000 0.260 325 I C 2.117 178.171 176.117 -0.104 0.000 1.138 325 I CA 1.062 62.284 61.300 -0.129 0.000 1.461 325 I CB -1.027 36.837 38.000 -0.228 0.000 1.128 325 I HN 0.069 nan 8.210 nan 0.000 0.438 326 M N 0.227 119.806 119.600 -0.035 0.000 2.115 326 M HA -0.085 4.395 4.480 0.000 0.000 0.261 326 M C 0.693 176.960 176.300 -0.055 0.000 1.079 326 M CA 1.459 56.738 55.300 -0.034 0.000 1.143 326 M CB 0.159 32.754 32.600 -0.010 0.000 1.332 326 M HN 0.059 nan 8.290 nan 0.000 0.421 327 Q N 0.231 120.001 119.800 -0.051 0.000 3.150 327 Q HA 0.146 4.486 4.340 0.000 0.000 0.297 327 Q C 0.867 176.801 176.000 -0.111 0.000 1.382 327 Q CA -0.380 55.386 55.803 -0.063 0.000 1.059 327 Q CB 0.280 28.994 28.738 -0.039 0.000 1.559 327 Q HN 0.315 nan 8.270 nan 0.000 0.548 328 S N 0.734 116.341 115.700 -0.155 0.000 2.370 328 S HA -0.184 4.286 4.470 0.000 0.000 0.226 328 S C 2.087 176.571 174.600 -0.194 0.000 1.033 328 S CA 1.976 60.031 58.200 -0.241 0.000 1.011 328 S CB -0.145 62.914 63.200 -0.234 0.000 0.852 328 S HN 0.822 nan 8.310 nan 0.000 0.457 329 T N -0.291 114.185 114.554 -0.129 0.000 3.077 329 T HA -0.007 4.344 4.350 0.000 0.000 0.269 329 T C 1.171 175.819 174.700 -0.087 0.000 1.146 329 T CA 1.016 63.055 62.100 -0.102 0.000 1.091 329 T CB -0.199 68.626 68.868 -0.072 0.000 0.892 329 T HN 0.299 nan 8.240 nan 0.000 0.533 330 K N 1.210 121.557 120.400 -0.087 0.000 2.414 330 K HA 0.249 4.569 4.320 0.000 0.000 0.204 330 K C 0.269 176.838 176.600 -0.051 0.000 1.026 330 K CA -0.240 56.013 56.287 -0.056 0.000 1.108 330 K CB 0.729 33.206 32.500 -0.038 0.000 0.855 330 K HN 0.431 nan 8.250 nan 0.000 0.517 331 V N 0.318 120.175 119.914 -0.096 0.000 2.630 331 V HA 0.589 4.709 4.120 0.000 0.000 0.305 331 V C -2.639 173.423 176.094 -0.053 0.000 1.046 331 V CA -2.262 59.997 62.300 -0.068 0.000 0.934 331 V CB 1.357 33.052 31.823 -0.214 0.000 1.003 331 V HN 0.015 nan 8.190 nan 0.000 0.451 332 P HA 0.141 nan 4.420 nan 0.000 0.270 332 P C -0.474 176.803 177.300 -0.039 0.000 1.223 332 P CA -0.005 63.089 63.100 -0.010 0.000 0.785 332 P CB 0.658 32.369 31.700 0.019 0.000 0.923 333 Q N 0.121 119.893 119.800 -0.047 0.000 2.225 333 Q HA 0.071 4.411 4.340 0.000 0.000 0.222 333 Q C 0.328 176.290 176.000 -0.064 0.000 0.887 333 Q CA 0.138 55.899 55.803 -0.070 0.000 0.958 333 Q CB -0.757 27.942 28.738 -0.066 0.000 1.058 333 Q HN 0.547 nan 8.270 nan 0.000 0.459 334 T N -1.024 113.503 114.554 -0.044 0.000 2.870 334 T HA 0.346 4.696 4.350 0.000 0.000 0.300 334 T C -2.426 172.247 174.700 -0.045 0.000 0.989 334 T CA -1.537 60.544 62.100 -0.032 0.000 1.139 334 T CB 1.101 69.963 68.868 -0.009 0.000 0.920 334 T HN -0.072 nan 8.240 nan 0.000 0.537 335 P HA 0.449 nan 4.420 nan 0.000 0.271 335 P C -0.957 176.317 177.300 -0.042 0.000 1.233 335 P CA -0.604 62.465 63.100 -0.052 0.000 0.789 335 P CB 0.363 32.023 31.700 -0.066 0.000 0.951 336 L N 0.496 121.692 121.223 -0.044 0.000 2.545 336 L HA 0.238 4.578 4.340 0.000 0.000 0.258 336 L C 0.514 177.375 176.870 -0.016 0.000 0.942 336 L CA -0.058 54.790 54.840 0.014 0.000 0.855 336 L CB 1.511 43.610 42.059 0.067 0.000 1.374 336 L HN 0.489 nan 8.230 nan 0.000 0.411 337 H N 1.076 120.097 119.070 -0.080 0.000 2.533 337 H HA 0.064 4.620 4.556 0.000 0.000 0.271 337 H C 0.585 175.871 175.328 -0.070 0.000 1.000 337 H CA 0.789 56.801 56.048 -0.059 0.000 1.149 337 H CB 0.306 30.033 29.762 -0.059 0.000 1.375 337 H HN 0.686 nan 8.280 nan 0.000 0.582 338 T N -0.223 114.339 114.554 0.014 0.000 2.674 338 T HA -0.183 4.167 4.350 0.000 0.000 0.265 338 T C 2.304 176.917 174.700 -0.145 0.000 1.039 338 T CA 1.382 63.419 62.100 -0.105 0.000 1.150 338 T CB -0.231 68.540 68.868 -0.162 0.000 0.864 338 T HN 0.238 nan 8.240 nan 0.000 0.427 339 S N 0.788 116.403 115.700 -0.141 0.000 2.359 339 S HA -0.157 4.313 4.470 0.000 0.000 0.224 339 S C 2.270 176.830 174.600 -0.065 0.000 1.035 339 S CA 1.049 59.175 58.200 -0.123 0.000 1.018 339 S CB -0.358 62.795 63.200 -0.078 0.000 0.876 339 S HN 0.327 nan 8.310 nan 0.000 0.448 340 R N 0.650 121.128 120.500 -0.036 0.000 2.096 340 R HA -0.101 4.239 4.340 0.000 0.000 0.240 340 R C 2.065 178.360 176.300 -0.008 0.000 1.139 340 R CA 2.035 58.127 56.100 -0.014 0.000 0.952 340 R CB -0.876 29.424 30.300 -0.000 0.000 0.854 340 R HN 0.421 nan 8.270 nan 0.000 0.436 341 V N 1.350 121.264 119.914 -0.000 0.000 2.323 341 V HA -0.214 3.906 4.120 0.000 0.000 0.244 341 V C 2.544 178.614 176.094 -0.041 0.000 1.041 341 V CA 1.021 63.328 62.300 0.011 0.000 1.025 341 V CB -0.512 31.355 31.823 0.073 0.000 0.656 341 V HN 0.212 nan 8.190 nan 0.000 0.451 342 L N 0.221 121.390 121.223 -0.090 0.000 2.021 342 L HA -0.252 4.088 4.340 0.000 0.000 0.215 342 L C 2.393 179.217 176.870 -0.078 0.000 1.074 342 L CA 2.154 56.921 54.840 -0.122 0.000 0.760 342 L CB -1.240 40.733 42.059 -0.143 0.000 0.889 342 L HN 0.353 nan 8.230 nan 0.000 0.433 343 K N -0.456 119.914 120.400 -0.051 0.000 2.007 343 K HA -0.125 4.195 4.320 0.000 0.000 0.206 343 K C 2.042 178.630 176.600 -0.020 0.000 1.047 343 K CA 1.129 57.400 56.287 -0.027 0.000 0.937 343 K CB -0.088 32.401 32.500 -0.018 0.000 0.718 343 K HN 0.262 nan 8.250 nan 0.000 0.438 344 E N 0.531 120.720 120.200 -0.019 0.000 2.049 344 E HA -0.160 4.190 4.350 0.000 0.000 0.198 344 E C -0.038 176.547 176.600 -0.026 0.000 1.007 344 E CA 1.274 57.665 56.400 -0.015 0.000 0.809 344 E CB -0.104 29.590 29.700 -0.010 0.000 0.749 344 E HN 0.378 nan 8.360 nan 0.000 0.450 345 D N -0.769 119.604 120.400 -0.045 0.000 2.371 345 D HA 0.125 4.765 4.640 0.000 0.000 0.242 345 D C 0.960 177.223 176.300 -0.061 0.000 1.218 345 D CA 0.390 54.352 54.000 -0.064 0.000 0.945 345 D CB 1.068 41.810 40.800 -0.097 0.000 1.137 345 D HN -0.018 nan 8.370 nan 0.000 0.464 346 K N -0.423 119.938 120.400 -0.065 0.000 1.480 346 K HA -0.099 4.221 4.320 0.000 0.000 0.089 346 K C 1.208 177.797 176.600 -0.019 0.000 2.329 346 K CA -0.077 56.181 56.287 -0.048 0.000 1.050 346 K CB -0.173 32.338 32.500 0.020 0.000 2.578 346 K HN 0.433 nan 8.250 nan 0.000 0.366 347 E N 3.084 123.286 120.200 0.003 0.000 2.433 347 E HA -0.265 4.085 4.350 0.000 0.000 0.209 347 E C 1.099 177.691 176.600 -0.014 0.000 1.065 347 E CA 1.319 57.730 56.400 0.018 0.000 0.863 347 E CB -0.079 29.625 29.700 0.006 0.000 0.772 347 E HN 0.308 nan 8.360 nan 0.000 0.524 348 R N -0.436 119.996 120.500 -0.114 0.000 2.112 348 R HA -0.197 4.143 4.340 0.000 0.000 0.242 348 R C 2.306 178.518 176.300 -0.147 0.000 1.137 348 R CA 2.477 58.450 56.100 -0.211 0.000 0.944 348 R CB -0.768 29.289 30.300 -0.405 0.000 0.857 348 R HN 0.374 nan 8.270 nan 0.000 0.435 349 W N 0.823 122.140 121.300 0.028 0.000 2.333 349 W HA -0.209 4.451 4.660 0.000 0.000 0.316 349 W C 2.061 178.597 176.519 0.027 0.000 1.215 349 W CA 0.718 58.081 57.345 0.030 0.000 1.278 349 W CB -0.686 28.790 29.460 0.027 0.000 1.154 349 W HN 0.300 nan 8.180 nan 0.000 0.486 350 E N 0.000 120.354 120.200 0.257 0.000 2.725 350 E HA 0.000 4.350 4.350 0.000 0.000 0.291 350 E CA 0.000 56.490 56.400 0.151 0.000 0.976 350 E CB 0.000 29.765 29.700 0.108 0.000 0.812 350 E HN 0.000 nan 8.360 nan 0.000 0.440