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 2rh1_1_A DATA FIRST_RESID 29 DATA SEQUENCE DEVWVVGMGI VMSLIVLAIV FGNVLVITAI AKFERLQTVT NYFITSLACA DATA SEQUENCE DLVMGLAVVP FGAAHILMKM WTFGNFWcEF WTSIDVLCVT ASIETLCVIA DATA SEQUENCE VDRYFAITSP FKYQSLLTKN KARVIILMVW IVSGLTSFLP IQMHWYRATH DATA SEQUENCE QEAINcYAEE TccDFFTNQA YAIASSIVSF YVPLVIMVFV YSRVFQEAKR DATA SEQUENCE QLXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKFCLKE HKALKTLGII DATA SEQUENCE MGTFTLCWLP FFIVNIVHVI QDNLIRKEVY ILLNWIGYVN SGFNPLIYCR DATA SEQUENCE SPDFRIAFQE LLCLXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXNIFEMLR IDEGLRLKIY KDTEGYYTIG DATA SEQUENCE IGHLLTKSPS LNAAKSELDK AIGRNTNGVI TKDEAEKLFN QDVDAAVRGI DATA SEQUENCE LRNAKLKPVY DSLDAVRRAA LINMVFQMGE TGVAGFTNSL RMLQQKRWDE DATA SEQUENCE AAVNLAKSRW YNQTPNRAKR VITTFRTGTW DAY 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 29 D HA 0.000 nan 4.640 nan 0.000 0.175 29 D C 0.000 176.368 176.300 0.113 0.000 2.045 29 D CA 0.000 54.008 54.000 0.014 0.000 0.868 29 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 30 E N 0.439 120.705 120.200 0.110 0.000 2.140 30 E HA 0.166 4.511 4.350 -0.009 0.000 0.191 30 E C 2.345 179.031 176.600 0.144 0.000 0.973 30 E CA 1.020 57.497 56.400 0.129 0.000 0.829 30 E CB 0.782 30.526 29.700 0.072 0.000 0.781 30 E HN 0.380 nan 8.360 nan 0.000 0.466 31 V N 1.068 121.053 119.914 0.119 0.000 2.594 31 V HA -0.226 3.889 4.120 -0.009 0.000 0.253 31 V C 1.891 178.053 176.094 0.113 0.000 1.069 31 V CA 1.674 64.027 62.300 0.089 0.000 1.082 31 V CB -0.564 31.298 31.823 0.065 0.000 0.680 31 V HN 0.454 nan 8.190 nan 0.000 0.469 32 W N 0.520 121.809 121.300 -0.019 0.000 2.342 32 W HA -0.213 4.442 4.660 -0.009 0.000 0.297 32 W C 2.120 178.622 176.519 -0.029 0.000 1.213 32 W CA 1.964 59.294 57.345 -0.024 0.000 1.251 32 W CB -0.200 29.245 29.460 -0.026 0.000 1.136 32 W HN 0.080 nan 8.180 nan 0.000 0.526 33 V N 0.395 120.397 119.914 0.147 0.000 2.261 33 V HA -0.344 3.771 4.120 -0.009 0.000 0.246 33 V C 2.194 178.164 176.094 -0.207 0.000 1.047 33 V CA 1.953 64.210 62.300 -0.072 0.000 1.015 33 V CB -1.402 30.498 31.823 0.130 0.000 0.642 33 V HN 0.159 nan 8.190 nan 0.000 0.446 34 V N 1.094 120.947 119.914 -0.103 0.000 2.231 34 V HA -0.257 3.858 4.120 -0.009 0.000 0.248 34 V C 2.695 178.688 176.094 -0.168 0.000 1.054 34 V CA 2.456 64.695 62.300 -0.102 0.000 1.015 34 V CB -1.603 30.189 31.823 -0.052 0.000 0.638 34 V HN 0.620 nan 8.190 nan 0.000 0.444 35 G N -1.082 107.598 108.800 -0.199 0.000 2.450 35 G HA2 -0.338 3.616 3.960 -0.009 0.000 0.220 35 G HA3 -0.338 3.616 3.960 -0.009 0.000 0.220 35 G C 1.551 176.238 174.900 -0.355 0.000 1.130 35 G CA 1.359 46.318 45.100 -0.235 0.000 0.760 35 G HN 0.434 nan 8.290 nan 0.000 0.557 36 M N 1.377 120.622 119.600 -0.592 0.000 2.288 36 M HA 0.251 4.726 4.480 -0.009 0.000 0.266 36 M C 2.430 178.491 176.300 -0.399 0.000 1.072 36 M CA 1.392 56.290 55.300 -0.670 0.000 1.132 36 M CB -0.577 31.259 32.600 -1.274 0.000 1.386 36 M HN 0.102 nan 8.290 nan 0.000 0.432 37 G N 0.676 109.293 108.800 -0.306 0.000 2.433 37 G HA2 -0.148 3.807 3.960 -0.009 0.000 0.216 37 G HA3 -0.148 3.807 3.960 -0.009 0.000 0.216 37 G C 1.413 176.239 174.900 -0.124 0.000 1.186 37 G CA 0.926 45.925 45.100 -0.169 0.000 0.779 37 G HN 0.428 nan 8.290 nan 0.000 0.543 38 I N 1.004 121.498 120.570 -0.126 0.000 2.264 38 I HA -0.132 4.033 4.170 -0.009 0.000 0.248 38 I C 2.945 179.009 176.117 -0.089 0.000 1.111 38 I CA 0.742 61.987 61.300 -0.092 0.000 1.382 38 I CB -1.145 36.802 38.000 -0.088 0.000 1.060 38 I HN 0.030 nan 8.210 nan 0.000 0.418 39 V N 0.551 120.391 119.914 -0.122 0.000 2.261 39 V HA -0.281 3.834 4.120 -0.009 0.000 0.246 39 V C 2.607 178.663 176.094 -0.064 0.000 1.047 39 V CA 1.753 63.992 62.300 -0.102 0.000 1.015 39 V CB -0.465 31.271 31.823 -0.144 0.000 0.642 39 V HN 0.317 nan 8.190 nan 0.000 0.446 40 M N -0.432 119.119 119.600 -0.082 0.000 2.213 40 M HA -0.153 4.322 4.480 -0.009 0.000 0.263 40 M C 2.360 178.683 176.300 0.039 0.000 1.062 40 M CA 1.681 56.984 55.300 0.006 0.000 1.105 40 M CB -0.405 32.183 32.600 -0.020 0.000 1.385 40 M HN 0.307 nan 8.290 nan 0.000 0.417 41 S N 0.746 116.442 115.700 -0.007 0.000 2.368 41 S HA -0.059 4.406 4.470 -0.009 0.000 0.225 41 S C 1.811 176.406 174.600 -0.009 0.000 1.030 41 S CA 1.073 59.268 58.200 -0.008 0.000 0.999 41 S CB -0.354 62.831 63.200 -0.025 0.000 0.844 41 S HN 0.417 nan 8.310 nan 0.000 0.459 42 L N 0.845 122.057 121.223 -0.018 0.000 2.141 42 L HA -0.048 4.286 4.340 -0.009 0.000 0.209 42 L C 2.136 179.004 176.870 -0.003 0.000 1.094 42 L CA 0.900 55.727 54.840 -0.021 0.000 0.763 42 L CB -0.548 41.491 42.059 -0.033 0.000 0.908 42 L HN 0.297 nan 8.230 nan 0.000 0.437 43 I N -0.877 119.706 120.570 0.021 0.000 2.179 43 I HA -0.272 3.893 4.170 -0.009 0.000 0.242 43 I C 2.446 178.578 176.117 0.024 0.000 1.088 43 I CA 1.112 62.437 61.300 0.042 0.000 1.357 43 I CB -0.232 37.840 38.000 0.119 0.000 1.051 43 I HN 0.004 nan 8.210 nan 0.000 0.409 44 V N 0.583 120.514 119.914 0.028 0.000 2.295 44 V HA -0.282 3.832 4.120 -0.009 0.000 0.246 44 V C 2.389 178.487 176.094 0.006 0.000 1.049 44 V CA 1.672 63.972 62.300 0.001 0.000 1.024 44 V CB -0.536 31.280 31.823 -0.011 0.000 0.648 44 V HN 0.346 nan 8.190 nan 0.000 0.447 45 L N 0.656 121.885 121.223 0.010 0.000 2.046 45 L HA -0.116 4.219 4.340 -0.009 0.000 0.208 45 L C 2.465 179.368 176.870 0.056 0.000 1.077 45 L CA 2.318 57.174 54.840 0.027 0.000 0.747 45 L CB -0.902 41.154 42.059 -0.004 0.000 0.896 45 L HN 0.243 nan 8.230 nan 0.000 0.432 46 A N -0.335 122.499 122.820 0.024 0.000 1.877 46 A HA -0.209 4.106 4.320 -0.009 0.000 0.216 46 A C 2.265 179.890 177.584 0.068 0.000 1.186 46 A CA 2.210 54.269 52.037 0.035 0.000 0.620 46 A CB -0.879 18.126 19.000 0.008 0.000 0.822 46 A HN 0.490 nan 8.150 nan 0.000 0.443 47 I N -0.494 120.092 120.570 0.027 0.000 2.179 47 I HA -0.212 3.953 4.170 -0.009 0.000 0.242 47 I C 2.364 178.508 176.117 0.045 0.000 1.088 47 I CA 1.272 62.580 61.300 0.013 0.000 1.357 47 I CB -0.341 37.644 38.000 -0.026 0.000 1.051 47 I HN 0.165 nan 8.210 nan 0.000 0.409 48 V N 0.506 120.451 119.914 0.052 0.000 2.307 48 V HA -0.294 3.821 4.120 -0.009 0.000 0.245 48 V C 2.238 178.377 176.094 0.075 0.000 1.045 48 V CA 1.871 64.201 62.300 0.050 0.000 1.024 48 V CB -0.758 31.088 31.823 0.037 0.000 0.651 48 V HN 0.340 nan 8.190 nan 0.000 0.449 49 F N 1.978 121.915 119.950 -0.022 0.000 2.046 49 F HA -0.109 4.413 4.527 -0.009 0.000 0.297 49 F C 2.292 178.069 175.800 -0.038 0.000 1.123 49 F CA 2.107 60.091 58.000 -0.028 0.000 1.199 49 F CB -0.911 38.069 39.000 -0.034 0.000 0.972 49 F HN 0.145 nan 8.300 nan 0.000 0.474 50 G N 0.101 109.024 108.800 0.204 0.000 2.440 50 G HA2 -0.295 3.660 3.960 -0.009 0.000 0.218 50 G HA3 -0.295 3.660 3.960 -0.009 0.000 0.218 50 G C 1.510 176.405 174.900 -0.007 0.000 1.154 50 G CA 1.046 46.185 45.100 0.065 0.000 0.767 50 G HN 0.400 nan 8.290 nan 0.000 0.552 51 N N 0.279 119.000 118.700 0.035 0.000 2.216 51 N HA -0.065 4.670 4.740 -0.009 0.000 0.183 51 N C 2.343 177.870 175.510 0.028 0.000 1.017 51 N CA 0.879 53.969 53.050 0.067 0.000 0.861 51 N CB -0.153 38.380 38.487 0.077 0.000 0.986 51 N HN 0.164 nan 8.380 nan 0.000 0.428 52 V N 1.871 121.761 119.914 -0.041 0.000 2.287 52 V HA -0.211 3.904 4.120 -0.009 0.000 0.248 52 V C 2.434 178.473 176.094 -0.091 0.000 1.053 52 V CA 1.226 63.479 62.300 -0.079 0.000 1.027 52 V CB -0.446 31.294 31.823 -0.139 0.000 0.646 52 V HN 0.172 nan 8.190 nan 0.000 0.447 53 L N -0.445 120.665 121.223 -0.188 0.000 2.083 53 L HA -0.123 4.211 4.340 -0.009 0.000 0.209 53 L C 2.302 179.269 176.870 0.161 0.000 1.083 53 L CA 1.720 56.472 54.840 -0.147 0.000 0.752 53 L CB -0.369 41.439 42.059 -0.418 0.000 0.899 53 L HN 0.140 nan 8.230 nan 0.000 0.433 54 V N -0.545 119.502 119.914 0.221 0.000 2.358 54 V HA -0.293 3.822 4.120 -0.009 0.000 0.246 54 V C 2.377 178.634 176.094 0.272 0.000 1.047 54 V CA 2.050 64.601 62.300 0.419 0.000 1.035 54 V CB -0.404 31.651 31.823 0.385 0.000 0.658 54 V HN 0.366 nan 8.190 nan 0.000 0.452 55 I N 0.039 120.696 120.570 0.146 0.000 2.142 55 I HA -0.246 3.918 4.170 -0.009 0.000 0.240 55 I C 2.586 178.731 176.117 0.046 0.000 1.078 55 I CA 1.962 63.304 61.300 0.070 0.000 1.343 55 I CB -0.716 37.298 38.000 0.024 0.000 1.046 55 I HN 0.315 nan 8.210 nan 0.000 0.405 56 T N 0.865 115.449 114.554 0.049 0.000 2.665 56 T HA -0.235 4.110 4.350 -0.009 0.000 0.268 56 T C 2.036 176.784 174.700 0.080 0.000 1.035 56 T CA 1.627 63.746 62.100 0.032 0.000 1.151 56 T CB -0.448 68.435 68.868 0.025 0.000 0.862 56 T HN 0.497 nan 8.240 nan 0.000 0.438 57 A N 0.849 123.788 122.820 0.198 0.000 1.902 57 A HA 0.003 4.318 4.320 -0.009 0.000 0.217 57 A C 2.309 179.986 177.584 0.156 0.000 1.181 57 A CA 1.220 53.428 52.037 0.285 0.000 0.623 57 A CB -0.708 18.468 19.000 0.293 0.000 0.818 57 A HN 0.543 nan 8.150 nan 0.000 0.443 58 I N -0.540 120.069 120.570 0.065 0.000 2.286 58 I HA -0.175 3.990 4.170 -0.009 0.000 0.245 58 I C 2.886 178.973 176.117 -0.050 0.000 1.104 58 I CA 0.900 62.191 61.300 -0.016 0.000 1.397 58 I CB -0.268 37.732 38.000 -0.001 0.000 1.072 58 I HN 0.327 nan 8.210 nan 0.000 0.417 59 A N 0.627 123.409 122.820 -0.064 0.000 1.969 59 A HA -0.222 4.093 4.320 -0.009 0.000 0.218 59 A C 2.348 179.856 177.584 -0.126 0.000 1.169 59 A CA 1.765 53.738 52.037 -0.108 0.000 0.635 59 A CB -0.343 18.596 19.000 -0.101 0.000 0.810 59 A HN 0.360 nan 8.150 nan 0.000 0.445 60 K N -1.739 118.567 120.400 -0.158 0.000 2.128 60 K HA 0.116 4.431 4.320 -0.009 0.000 0.202 60 K C -0.662 175.661 176.600 -0.462 0.000 1.050 60 K CA 0.214 56.286 56.287 -0.358 0.000 0.966 60 K CB 0.001 32.176 32.500 -0.542 0.000 0.759 60 K HN 0.314 nan 8.250 nan 0.000 0.454 61 F N 2.007 121.905 119.950 -0.087 0.000 2.350 61 F HA 0.185 4.707 4.527 -0.009 0.000 0.365 61 F C 1.213 176.956 175.800 -0.094 0.000 1.122 61 F CA -0.503 57.438 58.000 -0.099 0.000 1.139 61 F CB 1.406 40.322 39.000 -0.140 0.000 1.220 61 F HN 0.149 nan 8.300 nan 0.000 0.499 62 E N 3.429 123.666 120.200 0.061 0.000 2.147 62 E HA -0.287 4.057 4.350 -0.009 0.000 0.199 62 E C 2.363 178.983 176.600 0.032 0.000 1.005 62 E CA 1.465 57.884 56.400 0.032 0.000 0.810 62 E CB 0.076 29.786 29.700 0.016 0.000 0.736 62 E HN 0.670 nan 8.360 nan 0.000 0.460 63 R N 0.264 120.785 120.500 0.036 0.000 2.103 63 R HA -0.152 4.183 4.340 -0.009 0.000 0.242 63 R C 2.055 178.326 176.300 -0.049 0.000 1.142 63 R CA 1.500 57.592 56.100 -0.013 0.000 0.960 63 R CB -0.196 30.079 30.300 -0.041 0.000 0.858 63 R HN 0.265 nan 8.270 nan 0.000 0.439 64 L N 0.731 121.911 121.223 -0.071 0.000 2.591 64 L HA 0.066 4.401 4.340 -0.009 0.000 0.228 64 L C 0.529 177.387 176.870 -0.021 0.000 1.133 64 L CA 0.204 54.959 54.840 -0.142 0.000 0.880 64 L CB 0.098 41.964 42.059 -0.323 0.000 1.033 64 L HN 0.180 nan 8.230 nan 0.000 0.450 65 Q N 1.675 121.501 119.800 0.043 0.000 3.027 65 Q HA 0.100 4.435 4.340 -0.009 0.000 0.260 65 Q C 0.232 176.329 176.000 0.160 0.000 1.379 65 Q CA -0.117 55.786 55.803 0.166 0.000 1.038 65 Q CB 0.091 28.922 28.738 0.155 0.000 1.578 65 Q HN 0.302 nan 8.270 nan 0.000 0.571 66 T N -4.039 110.599 114.554 0.141 0.000 2.940 66 T HA 0.327 4.672 4.350 -0.009 0.000 0.288 66 T C 1.214 175.889 174.700 -0.041 0.000 1.045 66 T CA -0.851 61.266 62.100 0.028 0.000 1.018 66 T CB 1.348 70.247 68.868 0.053 0.000 1.151 66 T HN 0.054 nan 8.240 nan 0.000 0.529 67 V N 1.317 121.131 119.914 -0.167 0.000 2.287 67 V HA -0.191 3.924 4.120 -0.009 0.000 0.248 67 V C 2.981 178.963 176.094 -0.186 0.000 1.053 67 V CA 2.681 64.793 62.300 -0.312 0.000 1.027 67 V CB -1.406 30.304 31.823 -0.188 0.000 0.646 67 V HN 1.123 nan 8.190 nan 0.000 0.447 68 T N 0.624 115.233 114.554 0.091 0.000 2.624 68 T HA -0.241 4.104 4.350 -0.009 0.000 0.268 68 T C 1.745 176.576 174.700 0.219 0.000 1.041 68 T CA 1.966 64.227 62.100 0.267 0.000 1.159 68 T CB -0.485 68.531 68.868 0.246 0.000 0.863 68 T HN 0.436 nan 8.240 nan 0.000 0.434 69 N N 0.216 119.025 118.700 0.183 0.000 2.443 69 N HA -0.051 4.684 4.740 -0.009 0.000 0.184 69 N C 1.404 177.025 175.510 0.184 0.000 1.037 69 N CA 0.744 53.909 53.050 0.193 0.000 0.896 69 N CB -0.374 38.220 38.487 0.177 0.000 0.959 69 N HN 0.471 nan 8.380 nan 0.000 0.442 70 Y N -0.127 120.097 120.300 -0.126 0.000 2.220 70 Y HA -0.024 4.520 4.550 -0.009 0.000 0.291 70 Y C 1.797 177.632 175.900 -0.107 0.000 1.129 70 Y CA 0.540 58.532 58.100 -0.181 0.000 1.161 70 Y CB -0.653 37.609 38.460 -0.329 0.000 0.997 70 Y HN -0.046 nan 8.280 nan 0.000 0.522 71 F N -0.832 119.259 119.950 0.234 0.000 2.186 71 F HA -0.194 4.328 4.527 -0.008 0.000 0.299 71 F C 2.242 178.125 175.800 0.139 0.000 1.090 71 F CA 0.459 58.556 58.000 0.162 0.000 1.307 71 F CB -0.980 38.091 39.000 0.119 0.000 1.019 71 F HN -0.018 nan 8.300 nan 0.000 0.489 72 I N -0.103 120.644 120.570 0.295 0.000 2.226 72 I HA -0.261 3.904 4.170 -0.009 0.000 0.245 72 I C 2.279 178.506 176.117 0.184 0.000 1.100 72 I CA 1.583 63.003 61.300 0.201 0.000 1.374 72 I CB -1.737 36.303 38.000 0.066 0.000 1.057 72 I HN 0.156 nan 8.210 nan 0.000 0.413 73 T N 0.105 114.742 114.554 0.139 0.000 2.746 73 T HA -0.174 4.170 4.350 -0.009 0.000 0.267 73 T C 2.151 176.936 174.700 0.143 0.000 1.039 73 T CA 1.912 64.068 62.100 0.094 0.000 1.142 73 T CB -0.259 68.595 68.868 -0.024 0.000 0.866 73 T HN 0.319 nan 8.240 nan 0.000 0.444 74 S N 0.680 116.505 115.700 0.209 0.000 2.370 74 S HA -0.094 4.371 4.470 -0.009 0.000 0.226 74 S C 1.995 176.819 174.600 0.373 0.000 1.033 74 S CA 0.882 59.285 58.200 0.339 0.000 1.011 74 S CB -0.464 63.007 63.200 0.451 0.000 0.852 74 S HN 0.280 nan 8.310 nan 0.000 0.457 75 L N 1.882 123.271 121.223 0.276 0.000 2.017 75 L HA 0.131 4.466 4.340 -0.009 0.000 0.208 75 L C 2.611 179.619 176.870 0.231 0.000 1.073 75 L CA 2.097 57.070 54.840 0.221 0.000 0.745 75 L CB -1.328 40.843 42.059 0.187 0.000 0.894 75 L HN 0.352 nan 8.230 nan 0.000 0.432 76 A N -1.693 121.261 122.820 0.223 0.000 1.978 76 A HA -0.239 4.076 4.320 -0.009 0.000 0.220 76 A C 2.372 180.051 177.584 0.157 0.000 1.170 76 A CA 1.832 53.985 52.037 0.193 0.000 0.636 76 A CB -1.386 17.725 19.000 0.185 0.000 0.810 76 A HN 0.629 nan 8.150 nan 0.000 0.448 77 C N -1.294 118.105 119.300 0.164 0.000 2.457 77 C HA 0.158 4.613 4.460 -0.009 0.000 0.278 77 C C 3.289 178.398 174.990 0.198 0.000 1.309 77 C CA 0.530 59.614 59.018 0.110 0.000 1.735 77 C CB -1.233 26.506 27.740 -0.001 0.000 1.992 77 C HN 0.718 nan 8.230 nan 0.000 0.493 78 A N 0.844 123.893 122.820 0.382 0.000 1.902 78 A HA -0.194 4.121 4.320 -0.009 0.000 0.217 78 A C 1.783 179.502 177.584 0.226 0.000 1.181 78 A CA 2.068 54.361 52.037 0.425 0.000 0.623 78 A CB -0.511 18.696 19.000 0.345 0.000 0.818 78 A HN 0.550 nan 8.150 nan 0.000 0.443 79 D N -0.575 119.935 120.400 0.183 0.000 2.149 79 D HA -0.080 4.555 4.640 -0.009 0.000 0.201 79 D C 1.841 178.189 176.300 0.081 0.000 0.972 79 D CA 0.919 54.994 54.000 0.125 0.000 0.835 79 D CB -0.317 40.558 40.800 0.126 0.000 0.966 79 D HN 0.327 nan 8.370 nan 0.000 0.476 80 L N 0.915 122.190 121.223 0.087 0.000 2.046 80 L HA -0.138 4.197 4.340 -0.009 0.000 0.208 80 L C 2.224 179.121 176.870 0.044 0.000 1.077 80 L CA 1.336 56.207 54.840 0.052 0.000 0.747 80 L CB -0.520 41.564 42.059 0.042 0.000 0.896 80 L HN -0.145 nan 8.230 nan 0.000 0.432 81 V N -0.663 119.294 119.914 0.072 0.000 2.407 81 V HA -0.306 3.808 4.120 -0.009 0.000 0.248 81 V C 2.655 178.780 176.094 0.052 0.000 1.055 81 V CA 1.716 64.065 62.300 0.082 0.000 1.049 81 V CB -0.611 31.289 31.823 0.129 0.000 0.662 81 V HN 0.412 nan 8.190 nan 0.000 0.455 82 M N 0.421 120.037 119.600 0.027 0.000 2.080 82 M HA -0.148 4.327 4.480 -0.009 0.000 0.260 82 M C 2.359 178.593 176.300 -0.110 0.000 1.068 82 M CA 2.307 57.568 55.300 -0.065 0.000 1.109 82 M CB -1.578 30.991 32.600 -0.051 0.000 1.342 82 M HN 0.482 nan 8.290 nan 0.000 0.405 83 G N -0.370 108.391 108.800 -0.065 0.000 2.432 83 G HA2 -0.112 3.843 3.960 -0.009 0.000 0.219 83 G HA3 -0.112 3.843 3.960 -0.009 0.000 0.219 83 G C 1.613 176.467 174.900 -0.076 0.000 1.135 83 G CA 0.489 45.545 45.100 -0.072 0.000 0.767 83 G HN 0.396 nan 8.290 nan 0.000 0.550 84 L N -0.595 120.599 121.223 -0.048 0.000 2.286 84 L HA 0.305 4.639 4.340 -0.009 0.000 0.203 84 L C 2.996 179.823 176.870 -0.072 0.000 1.068 84 L CA 0.853 55.657 54.840 -0.060 0.000 0.811 84 L CB -0.009 42.044 42.059 -0.010 0.000 0.989 84 L HN 0.254 nan 8.230 nan 0.000 0.467 85 A N -0.953 121.895 122.820 0.048 0.000 2.035 85 A HA 0.144 4.459 4.320 -0.009 0.000 0.208 85 A C 1.952 179.744 177.584 0.348 0.000 1.206 85 A CA 0.460 52.651 52.037 0.256 0.000 0.773 85 A CB 0.041 19.254 19.000 0.355 0.000 0.878 85 A HN 0.096 nan 8.150 nan 0.000 0.469 86 V N -0.932 119.057 119.914 0.125 0.000 2.602 86 V HA -0.054 4.060 4.120 -0.009 0.000 0.235 86 V C 2.398 178.525 176.094 0.054 0.000 1.087 86 V CA 1.296 63.672 62.300 0.127 0.000 1.117 86 V CB -0.787 30.870 31.823 -0.276 0.000 0.820 86 V HN 0.209 nan 8.190 nan 0.000 0.490 87 V N 1.100 120.835 119.914 -0.298 0.000 2.392 87 V HA -0.152 3.963 4.120 -0.009 0.000 0.249 87 V C -0.049 176.009 176.094 -0.061 0.000 1.059 87 V CA 2.561 64.639 62.300 -0.371 0.000 1.051 87 V CB -1.953 29.651 31.823 -0.365 0.000 0.658 87 V HN 0.493 nan 8.190 nan 0.000 0.455 88 P HA -0.097 nan 4.420 nan 0.000 0.217 88 P C 1.498 178.721 177.300 -0.128 0.000 1.150 88 P CA 1.477 64.454 63.100 -0.206 0.000 0.832 88 P CB -0.104 31.299 31.700 -0.494 0.000 0.787 89 F N -0.507 119.449 119.950 0.010 0.000 2.293 89 F HA 0.143 4.664 4.527 -0.009 0.000 0.297 89 F C 2.534 178.375 175.800 0.069 0.000 1.089 89 F CA 0.993 58.881 58.000 -0.187 0.000 1.377 89 F CB -1.874 36.806 39.000 -0.534 0.000 1.051 89 F HN -0.087 nan 8.300 nan 0.000 0.511 90 G N 0.057 109.138 108.800 0.469 0.000 2.446 90 G HA2 -0.216 3.739 3.960 -0.009 0.000 0.217 90 G HA3 -0.216 3.739 3.960 -0.009 0.000 0.217 90 G C 1.962 177.324 174.900 0.770 0.000 1.168 90 G CA 1.086 46.619 45.100 0.722 0.000 0.771 90 G HN 0.433 nan 8.290 nan 0.000 0.551 91 A N 1.339 124.584 122.820 0.707 0.000 1.865 91 A HA 0.153 4.468 4.320 -0.009 0.000 0.217 91 A C 2.873 180.647 177.584 0.317 0.000 1.191 91 A CA 2.724 55.064 52.037 0.506 0.000 0.623 91 A CB -1.049 18.182 19.000 0.384 0.000 0.826 91 A HN 0.932 nan 8.150 nan 0.000 0.444 92 A N -1.387 121.625 122.820 0.320 0.000 1.908 92 A HA -0.248 4.066 4.320 -0.009 0.000 0.218 92 A C 2.091 179.873 177.584 0.330 0.000 1.181 92 A CA 1.891 54.106 52.037 0.297 0.000 0.627 92 A CB -1.101 18.145 19.000 0.411 0.000 0.818 92 A HN 0.823 nan 8.150 nan 0.000 0.445 93 H N -0.619 118.636 119.070 0.308 0.000 2.352 93 H HA -0.109 4.441 4.556 -0.009 0.000 0.299 93 H C 1.955 177.446 175.328 0.271 0.000 1.097 93 H CA 1.700 57.945 56.048 0.328 0.000 1.311 93 H CB -0.054 29.990 29.762 0.470 0.000 1.377 93 H HN 0.496 nan 8.280 nan 0.000 0.504 94 I N 0.403 121.099 120.570 0.211 0.000 2.233 94 I HA -0.253 3.912 4.170 -0.009 0.000 0.243 94 I C 2.389 178.574 176.117 0.114 0.000 1.093 94 I CA 0.643 61.996 61.300 0.088 0.000 1.380 94 I CB -0.068 37.984 38.000 0.085 0.000 1.067 94 I HN 0.247 nan 8.210 nan 0.000 0.413 95 L N -0.294 121.005 121.223 0.126 0.000 2.093 95 L HA -0.159 4.176 4.340 -0.009 0.000 0.208 95 L C 2.435 179.376 176.870 0.118 0.000 1.085 95 L CA 1.334 56.246 54.840 0.119 0.000 0.755 95 L CB -0.308 41.788 42.059 0.062 0.000 0.904 95 L HN 0.263 nan 8.230 nan 0.000 0.435 96 M N -0.966 118.701 119.600 0.112 0.000 2.514 96 M HA -0.025 4.450 4.480 -0.009 0.000 0.258 96 M C 0.403 176.760 176.300 0.094 0.000 1.119 96 M CA 0.577 55.928 55.300 0.084 0.000 1.111 96 M CB 0.233 32.862 32.600 0.048 0.000 1.390 96 M HN 0.002 nan 8.290 nan 0.000 0.475 97 K N 0.868 121.334 120.400 0.110 0.000 3.129 97 K HA -0.188 4.127 4.320 -0.009 0.000 0.273 97 K C -0.765 175.922 176.600 0.144 0.000 1.123 97 K CA 0.789 57.130 56.287 0.090 0.000 0.800 97 K CB -1.915 30.625 32.500 0.067 0.000 1.238 97 K HN 0.534 nan 8.250 nan 0.000 0.492 98 M N -3.799 115.953 119.600 0.252 0.000 2.822 98 M HA 0.336 4.811 4.480 -0.009 0.000 0.275 98 M C -1.756 174.800 176.300 0.426 0.000 1.084 98 M CA -0.912 54.584 55.300 0.327 0.000 0.814 98 M CB 0.806 33.507 32.600 0.168 0.000 1.693 98 M HN 0.181 nan 8.290 nan 0.000 0.531 99 W N 3.159 124.535 121.300 0.127 0.000 2.351 99 W HA 0.518 5.174 4.660 -0.007 0.000 0.311 99 W C -0.228 176.202 176.519 -0.148 0.000 1.168 99 W CA 0.490 57.799 57.345 -0.060 0.000 1.200 99 W CB 1.743 31.117 29.460 -0.142 0.000 1.221 99 W HN 1.026 nan 8.180 nan 0.000 0.519 100 T N 1.688 115.700 114.554 -0.902 0.000 3.040 100 T HA 0.103 4.448 4.350 -0.009 0.000 0.266 100 T C 0.737 174.855 174.700 -0.970 0.000 1.005 100 T CA 0.015 61.603 62.100 -0.854 0.000 0.906 100 T CB -0.538 67.787 68.868 -0.906 0.000 1.082 100 T HN 0.331 nan 8.240 nan 0.000 0.531 101 F N 2.417 121.852 119.950 -0.858 0.000 2.727 101 F HA 0.536 5.057 4.527 -0.009 0.000 0.302 101 F C 1.667 177.488 175.800 0.035 0.000 1.097 101 F CA 0.070 57.756 58.000 -0.524 0.000 1.330 101 F CB -0.126 38.364 39.000 -0.849 0.000 1.084 101 F HN 0.501 nan 8.300 nan 0.000 0.578 102 G N 1.040 110.039 108.800 0.333 0.000 2.758 102 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.686 102 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.686 102 G C 0.141 175.395 174.900 0.589 0.000 1.389 102 G CA -0.170 45.193 45.100 0.438 0.000 0.845 102 G HN 0.330 nan 8.290 nan 0.000 0.572 103 N N -0.709 118.226 118.700 0.392 0.000 2.166 103 N HA -0.086 4.649 4.740 -0.009 0.000 0.186 103 N C 2.121 177.824 175.510 0.321 0.000 1.019 103 N CA 1.699 54.927 53.050 0.297 0.000 0.856 103 N CB -0.107 38.523 38.487 0.238 0.000 0.993 103 N HN 0.547 nan 8.380 nan 0.000 0.426 104 F N 1.215 121.329 119.950 0.273 0.000 2.046 104 F HA -0.227 4.295 4.527 -0.009 0.000 0.297 104 F C 2.153 178.168 175.800 0.358 0.000 1.123 104 F CA 1.469 59.639 58.000 0.283 0.000 1.199 104 F CB -0.553 38.606 39.000 0.265 0.000 0.972 104 F HN 0.209 nan 8.300 nan 0.000 0.474 105 W N 0.797 122.161 121.300 0.106 0.000 2.402 105 W HA -0.225 4.431 4.660 -0.007 0.000 0.286 105 W C 2.567 179.215 176.519 0.215 0.000 1.221 105 W CA 1.567 58.926 57.345 0.023 0.000 1.257 105 W CB -0.885 28.656 29.460 0.135 0.000 1.120 105 W HN 0.313 nan 8.180 nan 0.000 0.551 106 c N 1.152 119.882 118.600 0.216 0.000 2.413 106 c HA -0.237 4.328 4.570 -0.009 0.000 0.276 106 c C 2.721 176.674 174.090 -0.229 0.000 1.236 106 c CA 2.179 58.349 56.329 -0.266 0.000 1.735 106 c CB -1.282 40.879 42.510 -0.582 0.000 2.031 106 c HN 0.504 nan 8.230 nan 0.000 0.474 107 E N -1.366 118.720 120.200 -0.190 0.000 2.106 107 E HA -0.205 4.140 4.350 -0.009 0.000 0.192 107 E C 1.979 178.325 176.600 -0.425 0.000 0.984 107 E CA 1.307 57.555 56.400 -0.255 0.000 0.806 107 E CB -0.444 29.182 29.700 -0.123 0.000 0.750 107 E HN 0.771 nan 8.360 nan 0.000 0.458 108 F N -0.070 119.492 119.950 -0.647 0.000 2.084 108 F HA -0.167 4.355 4.527 -0.008 0.000 0.296 108 F C 2.095 177.400 175.800 -0.826 0.000 1.111 108 F CA 1.898 59.443 58.000 -0.758 0.000 1.224 108 F CB -0.438 38.002 39.000 -0.933 0.000 0.991 108 F HN 0.205 nan 8.300 nan 0.000 0.471 109 W N 1.479 122.198 121.300 -0.968 0.000 2.302 109 W HA -0.293 4.362 4.660 -0.008 0.000 0.320 109 W C 2.361 178.562 176.519 -0.530 0.000 1.241 109 W CA 2.997 59.885 57.345 -0.763 0.000 1.264 109 W CB -1.028 28.064 29.460 -0.613 0.000 1.154 109 W HN -0.057 nan 8.180 nan 0.000 0.483 110 T N 0.413 114.563 114.554 -0.673 0.000 2.699 110 T HA -0.261 4.084 4.350 -0.009 0.000 0.268 110 T C 1.893 176.022 174.700 -0.951 0.000 1.036 110 T CA 2.246 63.768 62.100 -0.962 0.000 1.147 110 T CB -0.800 67.605 68.868 -0.772 0.000 0.862 110 T HN 0.197 nan 8.240 nan 0.000 0.446 111 S N 0.980 116.106 115.700 -0.956 0.000 2.368 111 S HA 0.012 4.477 4.470 -0.009 0.000 0.225 111 S C 2.052 176.097 174.600 -0.925 0.000 1.030 111 S CA 0.882 58.367 58.200 -1.190 0.000 0.999 111 S CB -0.399 61.539 63.200 -2.103 0.000 0.844 111 S HN 0.441 nan 8.310 nan 0.000 0.459 112 I N 1.527 121.682 120.570 -0.691 0.000 2.252 112 I HA -0.177 3.988 4.170 -0.009 0.000 0.245 112 I C 2.490 178.430 176.117 -0.295 0.000 1.102 112 I CA 1.137 62.281 61.300 -0.259 0.000 1.385 112 I CB -0.433 37.517 38.000 -0.084 0.000 1.064 112 I HN 0.236 nan 8.210 nan 0.000 0.414 113 D N 1.223 121.305 120.400 -0.529 0.000 2.108 113 D HA -0.177 4.458 4.640 -0.009 0.000 0.190 113 D C 2.235 178.306 176.300 -0.382 0.000 0.995 113 D CA 1.710 55.400 54.000 -0.517 0.000 0.834 113 D CB -0.114 40.187 40.800 -0.831 0.000 0.967 113 D HN 0.081 nan 8.370 nan 0.000 0.446 114 V N 0.998 120.647 119.914 -0.441 0.000 2.392 114 V HA -0.229 3.886 4.120 -0.009 0.000 0.249 114 V C 2.639 178.607 176.094 -0.211 0.000 1.059 114 V CA 1.471 63.587 62.300 -0.307 0.000 1.051 114 V CB -0.557 31.088 31.823 -0.296 0.000 0.658 114 V HN 0.231 nan 8.190 nan 0.000 0.455 115 L N -0.008 121.108 121.223 -0.178 0.000 1.989 115 L HA -0.177 4.158 4.340 -0.009 0.000 0.211 115 L C 2.445 179.233 176.870 -0.136 0.000 1.071 115 L CA 2.308 57.105 54.840 -0.070 0.000 0.749 115 L CB -1.036 41.108 42.059 0.142 0.000 0.890 115 L HN 0.352 nan 8.230 nan 0.000 0.431 116 C N -1.482 117.775 119.300 -0.072 0.000 2.413 116 C HA -0.138 4.316 4.460 -0.009 0.000 0.276 116 C C 2.753 177.678 174.990 -0.108 0.000 1.248 116 C CA 0.958 59.953 59.018 -0.037 0.000 1.742 116 C CB -0.927 26.841 27.740 0.048 0.000 2.017 116 C HN 0.523 nan 8.230 nan 0.000 0.481 117 V N 0.514 120.328 119.914 -0.166 0.000 2.343 117 V HA -0.207 3.908 4.120 -0.009 0.000 0.247 117 V C 2.482 178.463 176.094 -0.188 0.000 1.051 117 V CA 2.524 64.679 62.300 -0.242 0.000 1.036 117 V CB -1.125 30.355 31.823 -0.572 0.000 0.654 117 V HN 0.604 nan 8.190 nan 0.000 0.451 118 T N 0.484 114.914 114.554 -0.207 0.000 2.737 118 T HA -0.136 4.209 4.350 -0.009 0.000 0.265 118 T C 2.096 176.617 174.700 -0.298 0.000 1.038 118 T CA 1.623 63.599 62.100 -0.207 0.000 1.144 118 T CB -0.461 68.305 68.868 -0.169 0.000 0.866 118 T HN 0.557 nan 8.240 nan 0.000 0.434 119 A N 1.384 123.945 122.820 -0.432 0.000 1.940 119 A HA -0.113 4.202 4.320 -0.009 0.000 0.219 119 A C 2.605 179.910 177.584 -0.465 0.000 1.176 119 A CA 1.999 53.634 52.037 -0.670 0.000 0.631 119 A CB -0.910 17.228 19.000 -1.436 0.000 0.814 119 A HN 0.434 nan 8.150 nan 0.000 0.446 120 S N -0.510 114.994 115.700 -0.328 0.000 2.351 120 S HA -0.169 4.296 4.470 -0.009 0.000 0.220 120 S C 1.876 176.160 174.600 -0.527 0.000 1.035 120 S CA 1.573 59.592 58.200 -0.301 0.000 1.031 120 S CB -0.420 62.708 63.200 -0.120 0.000 0.928 120 S HN 0.537 nan 8.310 nan 0.000 0.433 121 I N 1.984 122.205 120.570 -0.581 0.000 2.394 121 I HA -0.092 4.073 4.170 -0.009 0.000 0.251 121 I C 2.036 177.919 176.117 -0.389 0.000 1.136 121 I CA 1.269 62.211 61.300 -0.597 0.000 1.425 121 I CB -0.542 37.250 38.000 -0.347 0.000 1.079 121 I HN 0.266 nan 8.210 nan 0.000 0.425 122 E N -0.551 119.454 120.200 -0.324 0.000 2.077 122 E HA -0.190 4.154 4.350 -0.009 0.000 0.193 122 E C 2.021 178.466 176.600 -0.260 0.000 0.989 122 E CA 1.881 58.122 56.400 -0.265 0.000 0.800 122 E CB -0.210 29.340 29.700 -0.250 0.000 0.746 122 E HN 0.492 nan 8.360 nan 0.000 0.452 123 T N 1.771 116.164 114.554 -0.268 0.000 2.674 123 T HA -0.127 4.218 4.350 -0.009 0.000 0.265 123 T C 2.025 176.573 174.700 -0.253 0.000 1.039 123 T CA 0.787 62.760 62.100 -0.212 0.000 1.150 123 T CB -0.290 68.518 68.868 -0.101 0.000 0.864 123 T HN 0.078 nan 8.240 nan 0.000 0.427 124 L N 0.498 121.554 121.223 -0.278 0.000 2.043 124 L HA -0.187 4.148 4.340 -0.009 0.000 0.212 124 L C 2.977 179.691 176.870 -0.259 0.000 1.075 124 L CA 1.066 55.741 54.840 -0.276 0.000 0.752 124 L CB -0.690 41.149 42.059 -0.367 0.000 0.891 124 L HN 0.429 nan 8.230 nan 0.000 0.432 125 C N -0.713 118.433 119.300 -0.257 0.000 2.425 125 C HA -0.096 4.359 4.460 -0.009 0.000 0.277 125 C C 2.767 177.641 174.990 -0.194 0.000 1.280 125 C CA 0.658 59.555 59.018 -0.201 0.000 1.744 125 C CB -0.451 27.177 27.740 -0.187 0.000 1.989 125 C HN 0.368 nan 8.230 nan 0.000 0.491 126 V N 0.995 120.747 119.914 -0.268 0.000 2.427 126 V HA -0.175 3.940 4.120 -0.009 0.000 0.248 126 V C 2.182 178.004 176.094 -0.453 0.000 1.051 126 V CA 2.133 64.216 62.300 -0.363 0.000 1.048 126 V CB -0.559 30.951 31.823 -0.521 0.000 0.666 126 V HN 0.551 nan 8.190 nan 0.000 0.456 127 I N 0.599 120.913 120.570 -0.428 0.000 2.226 127 I HA -0.232 3.933 4.170 -0.009 0.000 0.245 127 I C 2.689 178.766 176.117 -0.067 0.000 1.100 127 I CA 1.492 62.645 61.300 -0.244 0.000 1.374 127 I CB -0.602 37.324 38.000 -0.123 0.000 1.057 127 I HN 0.287 nan 8.210 nan 0.000 0.413 128 A N 0.514 123.291 122.820 -0.072 0.000 1.877 128 A HA -0.150 4.165 4.320 -0.009 0.000 0.216 128 A C 2.431 180.060 177.584 0.074 0.000 1.186 128 A CA 1.846 53.931 52.037 0.080 0.000 0.620 128 A CB -0.971 18.046 19.000 0.027 0.000 0.822 128 A HN 0.237 nan 8.150 nan 0.000 0.443 129 V N 0.519 120.441 119.914 0.012 0.000 2.358 129 V HA -0.249 3.866 4.120 -0.009 0.000 0.246 129 V C 2.353 178.560 176.094 0.188 0.000 1.047 129 V CA 2.454 64.793 62.300 0.064 0.000 1.035 129 V CB -0.871 31.008 31.823 0.094 0.000 0.658 129 V HN 0.732 nan 8.190 nan 0.000 0.452 130 D N 0.058 120.544 120.400 0.143 0.000 2.104 130 D HA -0.196 4.439 4.640 -0.009 0.000 0.194 130 D C 2.348 178.764 176.300 0.194 0.000 0.994 130 D CA 1.267 55.394 54.000 0.212 0.000 0.830 130 D CB -0.071 40.839 40.800 0.183 0.000 0.959 130 D HN 0.126 nan 8.370 nan 0.000 0.452 131 R N -0.614 119.976 120.500 0.151 0.000 2.120 131 R HA -0.152 4.183 4.340 -0.009 0.000 0.234 131 R C 2.224 178.509 176.300 -0.025 0.000 1.123 131 R CA 0.828 56.992 56.100 0.106 0.000 0.975 131 R CB -1.155 29.263 30.300 0.196 0.000 0.866 131 R HN 0.454 nan 8.270 nan 0.000 0.446 132 Y N 0.573 120.776 120.300 -0.161 0.000 2.145 132 Y HA -0.207 4.338 4.550 -0.008 0.000 0.286 132 Y C 1.907 177.605 175.900 -0.335 0.000 1.145 132 Y CA 1.479 59.376 58.100 -0.339 0.000 1.148 132 Y CB -0.415 37.758 38.460 -0.479 0.000 0.981 132 Y HN -0.145 nan 8.280 nan 0.000 0.507 133 F N -0.049 119.878 119.950 -0.038 0.000 2.186 133 F HA -0.077 4.444 4.527 -0.009 0.000 0.299 133 F C 2.587 178.288 175.800 -0.164 0.000 1.090 133 F CA 1.085 59.016 58.000 -0.115 0.000 1.307 133 F CB -1.254 37.764 39.000 0.031 0.000 1.019 133 F HN 0.154 nan 8.300 nan 0.000 0.489 134 A N 0.184 123.029 122.820 0.042 0.000 1.865 134 A HA -0.213 4.102 4.320 -0.009 0.000 0.217 134 A C 2.274 179.698 177.584 -0.266 0.000 1.191 134 A CA 1.818 53.832 52.037 -0.039 0.000 0.623 134 A CB -1.155 17.858 19.000 0.022 0.000 0.826 134 A HN 0.418 nan 8.150 nan 0.000 0.444 135 I N 0.135 120.445 120.570 -0.433 0.000 2.928 135 I HA -0.131 4.034 4.170 -0.009 0.000 0.266 135 I C 2.084 177.906 176.117 -0.492 0.000 1.234 135 I CA 1.695 62.608 61.300 -0.645 0.000 1.483 135 I CB 0.096 37.738 38.000 -0.596 0.000 1.097 135 I HN 0.543 nan 8.210 nan 0.000 0.455 136 T N -3.197 111.072 114.554 -0.476 0.000 3.086 136 T HA 0.109 4.454 4.350 -0.009 0.000 0.250 136 T C 0.931 175.486 174.700 -0.242 0.000 1.074 136 T CA -0.096 61.760 62.100 -0.408 0.000 0.988 136 T CB -0.111 68.396 68.868 -0.602 0.000 0.988 136 T HN 0.166 nan 8.240 nan 0.000 0.530 137 S N 2.228 117.816 115.700 -0.187 0.000 2.580 137 S HA 0.329 4.794 4.470 -0.009 0.000 0.274 137 S C -1.688 172.775 174.600 -0.228 0.000 1.329 137 S CA -1.429 56.692 58.200 -0.132 0.000 1.036 137 S CB 1.147 64.348 63.200 0.001 0.000 0.919 137 S HN 0.031 nan 8.310 nan 0.000 0.515 138 P HA 0.048 nan 4.420 nan 0.000 0.223 138 P C -0.301 176.699 177.300 -0.499 0.000 1.151 138 P CA 0.915 63.709 63.100 -0.509 0.000 0.787 138 P CB -0.091 31.191 31.700 -0.697 0.000 0.788 139 F N 0.400 120.343 119.950 -0.011 0.000 2.640 139 F HA 0.257 4.779 4.527 -0.009 0.000 0.331 139 F C 0.813 176.624 175.800 0.020 0.000 1.200 139 F CA -1.048 56.956 58.000 0.008 0.000 1.278 139 F CB -0.488 38.516 39.000 0.006 0.000 1.571 139 F HN -0.370 nan 8.300 nan 0.000 0.576 140 K N 0.615 121.064 120.400 0.083 0.000 2.527 140 K HA -0.071 4.244 4.320 -0.009 0.000 0.278 140 K C -0.086 176.638 176.600 0.207 0.000 0.981 140 K CA 0.574 56.884 56.287 0.038 0.000 1.009 140 K CB 0.156 32.682 32.500 0.044 0.000 0.895 140 K HN 0.520 nan 8.250 nan 0.000 0.493 141 Y N -1.745 118.584 120.300 0.048 0.000 4.155 141 Y HA -0.374 4.171 4.550 -0.008 0.000 0.345 141 Y C 0.190 176.136 175.900 0.077 0.000 1.140 141 Y CA 1.068 59.206 58.100 0.062 0.000 2.047 141 Y CB -1.275 37.223 38.460 0.063 0.000 0.946 141 Y HN 0.646 nan 8.280 nan 0.000 0.456 142 Q N 1.292 121.214 119.800 0.205 0.000 2.311 142 Q HA 0.313 4.648 4.340 -0.009 0.000 0.272 142 Q C 0.573 176.649 176.000 0.127 0.000 1.012 142 Q CA 0.358 56.249 55.803 0.145 0.000 0.891 142 Q CB 1.216 30.027 28.738 0.122 0.000 1.201 142 Q HN 0.287 nan 8.270 nan 0.000 0.391 143 S N 2.426 118.193 115.700 0.112 0.000 2.568 143 S HA 0.049 4.513 4.470 -0.009 0.000 0.282 143 S C 1.124 175.775 174.600 0.086 0.000 1.338 143 S CA -0.460 57.810 58.200 0.117 0.000 1.045 143 S CB 0.407 63.678 63.200 0.118 0.000 0.873 143 S HN 0.652 nan 8.310 nan 0.000 0.516 144 L N 3.425 124.704 121.223 0.093 0.000 2.456 144 L HA 0.087 4.422 4.340 -0.009 0.000 0.224 144 L C 0.393 177.270 176.870 0.012 0.000 1.148 144 L CA 0.490 55.358 54.840 0.047 0.000 0.825 144 L CB -0.543 41.520 42.059 0.007 0.000 0.937 144 L HN 0.515 nan 8.230 nan 0.000 0.450 145 L N 0.008 121.249 121.223 0.029 0.000 2.334 145 L HA 0.250 4.584 4.340 -0.009 0.000 0.277 145 L C 0.844 177.689 176.870 -0.042 0.000 1.075 145 L CA -0.511 54.333 54.840 0.006 0.000 0.804 145 L CB 1.378 43.469 42.059 0.053 0.000 1.174 145 L HN 0.089 nan 8.230 nan 0.000 0.438 146 T N -1.491 113.027 114.554 -0.061 0.000 2.788 146 T HA 0.188 4.533 4.350 -0.009 0.000 0.287 146 T C 1.116 175.720 174.700 -0.160 0.000 1.007 146 T CA -0.804 61.237 62.100 -0.097 0.000 1.005 146 T CB 1.106 69.929 68.868 -0.076 0.000 1.012 146 T HN 0.438 nan 8.240 nan 0.000 0.530 147 K N 1.032 121.301 120.400 -0.219 0.000 2.063 147 K HA -0.098 4.217 4.320 -0.009 0.000 0.208 147 K C 2.053 178.535 176.600 -0.197 0.000 1.048 147 K CA 1.282 57.350 56.287 -0.366 0.000 0.928 147 K CB -0.722 31.575 32.500 -0.338 0.000 0.713 147 K HN 0.533 nan 8.250 nan 0.000 0.442 148 N N 1.289 119.934 118.700 -0.092 0.000 2.142 148 N HA -0.094 4.641 4.740 -0.009 0.000 0.186 148 N C 1.649 177.149 175.510 -0.016 0.000 1.023 148 N CA 1.090 54.123 53.050 -0.030 0.000 0.852 148 N CB -0.115 38.361 38.487 -0.019 0.000 0.998 148 N HN 0.279 nan 8.380 nan 0.000 0.424 149 K N 0.825 121.209 120.400 -0.026 0.000 2.097 149 K HA 0.000 4.315 4.320 -0.009 0.000 0.206 149 K C 2.055 178.672 176.600 0.029 0.000 1.049 149 K CA 1.221 57.510 56.287 0.004 0.000 0.933 149 K CB -0.144 32.356 32.500 0.001 0.000 0.717 149 K HN 0.119 nan 8.250 nan 0.000 0.442 150 A N 1.592 124.399 122.820 -0.023 0.000 1.908 150 A HA -0.199 4.116 4.320 -0.009 0.000 0.218 150 A C 2.102 179.713 177.584 0.045 0.000 1.181 150 A CA 1.546 53.562 52.037 -0.034 0.000 0.627 150 A CB -0.396 18.411 19.000 -0.323 0.000 0.818 150 A HN 0.158 nan 8.150 nan 0.000 0.445 151 R N -0.817 119.713 120.500 0.051 0.000 2.096 151 R HA -0.065 4.270 4.340 -0.009 0.000 0.235 151 R C 1.961 178.326 176.300 0.109 0.000 1.127 151 R CA 1.432 57.596 56.100 0.107 0.000 0.968 151 R CB -0.568 29.790 30.300 0.097 0.000 0.861 151 R HN 0.379 nan 8.270 nan 0.000 0.440 152 V N 0.738 120.704 119.914 0.087 0.000 2.358 152 V HA -0.206 3.909 4.120 -0.009 0.000 0.246 152 V C 2.117 178.281 176.094 0.117 0.000 1.047 152 V CA 1.346 63.697 62.300 0.085 0.000 1.035 152 V CB -0.372 31.485 31.823 0.058 0.000 0.658 152 V HN 0.254 nan 8.190 nan 0.000 0.452 153 I N -0.213 120.446 120.570 0.148 0.000 2.226 153 I HA -0.225 3.940 4.170 -0.009 0.000 0.245 153 I C 2.358 178.608 176.117 0.223 0.000 1.100 153 I CA 1.932 63.342 61.300 0.183 0.000 1.374 153 I CB -0.817 37.337 38.000 0.257 0.000 1.057 153 I HN 0.270 nan 8.210 nan 0.000 0.413 154 I N 0.338 121.083 120.570 0.292 0.000 2.127 154 I HA -0.326 3.839 4.170 -0.009 0.000 0.241 154 I C 2.595 178.917 176.117 0.341 0.000 1.075 154 I CA 1.132 62.639 61.300 0.345 0.000 1.334 154 I CB -0.428 37.772 38.000 0.333 0.000 1.040 154 I HN 0.184 nan 8.210 nan 0.000 0.405 155 L N 0.344 121.710 121.223 0.238 0.000 2.043 155 L HA -0.253 4.082 4.340 -0.009 0.000 0.212 155 L C 2.378 179.366 176.870 0.197 0.000 1.075 155 L CA 2.029 56.989 54.840 0.200 0.000 0.752 155 L CB -0.571 41.555 42.059 0.112 0.000 0.891 155 L HN 0.182 nan 8.230 nan 0.000 0.432 156 M N -1.601 118.087 119.600 0.146 0.000 2.229 156 M HA -0.116 4.359 4.480 -0.009 0.000 0.264 156 M C 2.267 178.615 176.300 0.080 0.000 1.063 156 M CA 1.137 56.497 55.300 0.100 0.000 1.114 156 M CB -1.114 31.530 32.600 0.074 0.000 1.387 156 M HN 0.181 nan 8.290 nan 0.000 0.420 157 V N -1.279 118.687 119.914 0.086 0.000 2.295 157 V HA -0.253 3.862 4.120 -0.009 0.000 0.246 157 V C 1.994 178.020 176.094 -0.113 0.000 1.049 157 V CA 1.740 64.017 62.300 -0.038 0.000 1.024 157 V CB -0.718 31.058 31.823 -0.080 0.000 0.648 157 V HN 0.457 nan 8.190 nan 0.000 0.447 158 W N -0.265 121.044 121.300 0.016 0.000 2.363 158 W HA -0.076 4.579 4.660 -0.008 0.000 0.296 158 W C 2.314 178.826 176.519 -0.012 0.000 1.212 158 W CA 1.052 58.398 57.345 0.002 0.000 1.260 158 W CB -0.417 29.044 29.460 0.003 0.000 1.131 158 W HN 0.158 nan 8.180 nan 0.000 0.530 159 I N -0.720 119.962 120.570 0.187 0.000 2.179 159 I HA -0.306 3.859 4.170 -0.009 0.000 0.242 159 I C 2.117 178.263 176.117 0.048 0.000 1.088 159 I CA 1.146 62.503 61.300 0.095 0.000 1.357 159 I CB -0.988 37.057 38.000 0.074 0.000 1.051 159 I HN -0.215 nan 8.210 nan 0.000 0.409 160 V N 0.226 120.155 119.914 0.024 0.000 2.295 160 V HA -0.270 3.845 4.120 -0.009 0.000 0.246 160 V C 2.525 178.607 176.094 -0.021 0.000 1.049 160 V CA 2.160 64.459 62.300 -0.001 0.000 1.024 160 V CB -0.558 31.254 31.823 -0.018 0.000 0.648 160 V HN 0.378 nan 8.190 nan 0.000 0.447 161 S N 0.553 116.209 115.700 -0.073 0.000 2.383 161 S HA -0.145 4.320 4.470 -0.009 0.000 0.229 161 S C 2.043 176.639 174.600 -0.008 0.000 1.030 161 S CA 1.405 59.541 58.200 -0.106 0.000 1.002 161 S CB -0.670 62.362 63.200 -0.281 0.000 0.829 161 S HN 0.706 nan 8.310 nan 0.000 0.467 162 G N 1.267 110.093 108.800 0.043 0.000 2.402 162 G HA2 -0.114 3.840 3.960 -0.009 0.000 0.216 162 G HA3 -0.114 3.840 3.960 -0.009 0.000 0.216 162 G C 1.332 176.288 174.900 0.093 0.000 1.162 162 G CA 0.470 45.627 45.100 0.096 0.000 0.777 162 G HN 0.382 nan 8.290 nan 0.000 0.539 163 L N 1.565 122.819 121.223 0.050 0.000 2.131 163 L HA -0.007 4.328 4.340 -0.009 0.000 0.210 163 L C 3.067 179.972 176.870 0.059 0.000 1.092 163 L CA 2.370 57.239 54.840 0.047 0.000 0.759 163 L CB -0.454 41.629 42.059 0.041 0.000 0.903 163 L HN 0.412 nan 8.230 nan 0.000 0.435 164 T N -5.334 109.253 114.554 0.056 0.000 3.065 164 T HA 0.032 4.377 4.350 -0.009 0.000 0.252 164 T C 1.731 176.476 174.700 0.075 0.000 1.099 164 T CA 0.688 62.830 62.100 0.069 0.000 1.063 164 T CB -0.169 68.722 68.868 0.038 0.000 0.948 164 T HN 0.414 nan 8.240 nan 0.000 0.506 165 S N 0.211 115.947 115.700 0.060 0.000 2.527 165 S HA 0.278 4.742 4.470 -0.009 0.000 0.225 165 S C 1.608 176.176 174.600 -0.054 0.000 1.046 165 S CA -0.294 57.912 58.200 0.010 0.000 0.929 165 S CB -0.947 62.244 63.200 -0.015 0.000 0.851 165 S HN 0.298 nan 8.310 nan 0.000 0.565 166 F N 2.133 122.004 119.950 -0.132 0.000 2.163 166 F HA 0.210 4.731 4.527 -0.009 0.000 0.297 166 F C 2.327 178.025 175.800 -0.169 0.000 1.094 166 F CA 0.940 58.833 58.000 -0.180 0.000 1.290 166 F CB -0.331 38.560 39.000 -0.182 0.000 1.017 166 F HN 0.136 nan 8.300 nan 0.000 0.483 167 L N 0.066 121.295 121.223 0.011 0.000 1.956 167 L HA -0.217 4.118 4.340 -0.009 0.000 0.216 167 L C -0.374 176.268 176.870 -0.379 0.000 1.073 167 L CA 1.876 56.605 54.840 -0.185 0.000 0.762 167 L CB -2.018 39.917 42.059 -0.207 0.000 0.889 167 L HN 0.067 nan 8.230 nan 0.000 0.433 168 P HA -0.170 nan 4.420 nan 0.000 0.216 168 P C 1.786 179.064 177.300 -0.036 0.000 1.150 168 P CA 1.584 64.610 63.100 -0.124 0.000 0.837 168 P CB 0.024 31.947 31.700 0.372 0.000 0.786 169 I N -1.009 119.506 120.570 -0.090 0.000 2.286 169 I HA -0.198 3.966 4.170 -0.009 0.000 0.245 169 I C 2.361 178.457 176.117 -0.034 0.000 1.104 169 I CA 1.233 62.427 61.300 -0.177 0.000 1.397 169 I CB -0.622 37.089 38.000 -0.481 0.000 1.072 169 I HN -0.040 nan 8.210 nan 0.000 0.417 170 Q N -0.040 119.715 119.800 -0.075 0.000 2.230 170 Q HA -0.027 4.308 4.340 -0.009 0.000 0.202 170 Q C 2.040 178.097 176.000 0.094 0.000 0.963 170 Q CA 1.017 56.849 55.803 0.049 0.000 0.866 170 Q CB -0.068 28.693 28.738 0.038 0.000 0.931 170 Q HN 0.461 nan 8.270 nan 0.000 0.452 171 M N -0.619 118.908 119.600 -0.121 0.000 2.595 171 M HA 0.008 4.483 4.480 -0.009 0.000 0.248 171 M C -0.167 176.126 176.300 -0.011 0.000 1.119 171 M CA 0.654 55.801 55.300 -0.255 0.000 1.079 171 M CB -0.598 31.497 32.600 -0.841 0.000 1.472 171 M HN 0.396 nan 8.290 nan 0.000 0.501 172 H N -3.387 115.630 119.070 -0.088 0.000 2.969 172 H HA -0.208 4.342 4.556 -0.010 0.000 0.269 172 H C 0.282 175.609 175.328 -0.002 0.000 1.230 172 H CA 0.262 56.264 56.048 -0.077 0.000 1.123 172 H CB -1.601 28.080 29.762 -0.135 0.000 1.289 172 H HN 0.449 nan 8.280 nan 0.000 0.364 173 W N 0.491 121.814 121.300 0.038 0.000 2.519 173 W HA -0.082 4.579 4.660 0.002 0.000 0.266 173 W C 2.296 178.747 176.519 -0.113 0.000 1.253 173 W CA 1.396 58.741 57.345 0.001 0.000 1.274 173 W CB -1.089 28.438 29.460 0.111 0.000 1.114 173 W HN 0.534 nan 8.180 nan 0.000 0.596 174 Y N 0.642 120.818 120.300 -0.207 0.000 2.439 174 Y HA 0.184 4.729 4.550 -0.009 0.000 0.292 174 Y C 1.159 176.830 175.900 -0.383 0.000 1.130 174 Y CA 0.100 57.751 58.100 -0.747 0.000 1.254 174 Y CB -0.806 36.903 38.460 -1.252 0.000 1.000 174 Y HN -0.325 nan 8.280 nan 0.000 0.554 175 R N 1.812 121.747 120.500 -0.941 0.000 2.594 175 R HA 0.487 4.822 4.340 -0.009 0.000 0.272 175 R C -0.020 176.132 176.300 -0.247 0.000 1.074 175 R CA 0.196 55.814 56.100 -0.803 0.000 1.105 175 R CB 0.722 30.329 30.300 -1.154 0.000 1.008 175 R HN 0.375 nan 8.270 nan 0.000 0.472 176 A N 0.801 123.610 122.820 -0.018 0.000 2.271 176 A HA 0.245 4.560 4.320 -0.009 0.000 0.288 176 A C 0.955 178.524 177.584 -0.023 0.000 1.094 176 A CA -0.432 51.624 52.037 0.032 0.000 0.828 176 A CB 0.611 19.672 19.000 0.102 0.000 1.091 176 A HN 0.825 nan 8.150 nan 0.000 0.493 177 T N -1.548 113.005 114.554 -0.002 0.000 3.092 177 T HA 0.167 4.511 4.350 -0.009 0.000 0.258 177 T C 0.513 175.198 174.700 -0.025 0.000 1.031 177 T CA 0.244 62.333 62.100 -0.020 0.000 0.925 177 T CB -0.710 68.161 68.868 0.006 0.000 1.036 177 T HN 0.815 nan 8.240 nan 0.000 0.544 178 H N -0.017 119.018 119.070 -0.059 0.000 2.488 178 H HA 0.452 5.002 4.556 -0.010 0.000 0.347 178 H C 0.977 176.222 175.328 -0.139 0.000 1.174 178 H CA -0.726 55.266 56.048 -0.095 0.000 1.307 178 H CB 1.387 31.083 29.762 -0.110 0.000 1.517 178 H HN -0.036 nan 8.280 nan 0.000 0.554 179 Q N 0.941 120.708 119.800 -0.055 0.000 2.084 179 Q HA -0.181 4.154 4.340 -0.009 0.000 0.202 179 Q C 2.217 178.091 176.000 -0.210 0.000 0.978 179 Q CA 2.104 57.840 55.803 -0.113 0.000 0.844 179 Q CB -0.210 28.500 28.738 -0.046 0.000 0.898 179 Q HN 0.871 nan 8.270 nan 0.000 0.426 180 E N -1.094 119.003 120.200 -0.173 0.000 2.118 180 E HA -0.250 4.095 4.350 -0.009 0.000 0.195 180 E C 1.611 177.791 176.600 -0.700 0.000 0.992 180 E CA 1.133 57.357 56.400 -0.292 0.000 0.804 180 E CB -0.168 29.440 29.700 -0.154 0.000 0.741 180 E HN 0.441 nan 8.360 nan 0.000 0.458 181 A N 1.048 123.196 122.820 -1.121 0.000 1.854 181 A HA -0.110 4.205 4.320 -0.009 0.000 0.214 181 A C 2.172 179.140 177.584 -1.026 0.000 1.192 181 A CA 1.149 52.325 52.037 -1.435 0.000 0.611 181 A CB -0.628 17.508 19.000 -1.440 0.000 0.832 181 A HN 0.310 nan 8.150 nan 0.000 0.442 182 I N 0.378 120.641 120.570 -0.511 0.000 2.185 182 I HA -0.357 3.807 4.170 -0.009 0.000 0.246 182 I C 2.164 178.212 176.117 -0.114 0.000 1.088 182 I CA 1.725 62.959 61.300 -0.110 0.000 1.347 182 I CB -0.597 37.364 38.000 -0.065 0.000 1.041 182 I HN 0.336 nan 8.210 nan 0.000 0.415 183 N N 0.202 118.791 118.700 -0.184 0.000 2.084 183 N HA -0.206 4.529 4.740 -0.009 0.000 0.190 183 N C 1.913 177.365 175.510 -0.097 0.000 1.030 183 N CA 1.474 54.459 53.050 -0.108 0.000 0.849 183 N CB -0.843 37.583 38.487 -0.102 0.000 1.012 183 N HN 0.426 nan 8.380 nan 0.000 0.423 184 c N 0.077 118.549 118.600 -0.212 0.000 2.425 184 c HA -0.087 4.477 4.570 -0.009 0.000 0.277 184 c C 2.223 176.283 174.090 -0.050 0.000 1.280 184 c CA 0.394 56.651 56.329 -0.119 0.000 1.744 184 c CB -1.349 41.103 42.510 -0.096 0.000 1.989 184 c HN 0.378 nan 8.230 nan 0.000 0.491 185 Y N 1.614 121.922 120.300 0.013 0.000 2.114 185 Y HA -0.001 4.543 4.550 -0.009 0.000 0.284 185 Y C 2.776 178.698 175.900 0.037 0.000 1.143 185 Y CA 1.487 59.597 58.100 0.017 0.000 1.135 185 Y CB -1.494 36.945 38.460 -0.036 0.000 0.980 185 Y HN 0.343 nan 8.280 nan 0.000 0.499 186 A N -0.063 122.867 122.820 0.184 0.000 1.933 186 A HA -0.156 4.158 4.320 -0.009 0.000 0.218 186 A C 1.078 178.728 177.584 0.111 0.000 1.175 186 A CA 0.934 53.047 52.037 0.127 0.000 0.628 186 A CB -0.707 18.345 19.000 0.086 0.000 0.814 186 A HN 0.296 nan 8.150 nan 0.000 0.444 187 E N 1.047 121.303 120.200 0.093 0.000 2.328 187 E HA 0.054 4.399 4.350 -0.009 0.000 0.265 187 E C 1.185 177.863 176.600 0.130 0.000 1.057 187 E CA 0.455 56.913 56.400 0.096 0.000 0.916 187 E CB 0.379 30.127 29.700 0.079 0.000 0.993 187 E HN 0.616 nan 8.360 nan 0.000 0.446 188 E N 2.338 122.623 120.200 0.140 0.000 2.204 188 E HA -0.201 4.144 4.350 -0.009 0.000 0.194 188 E C 0.845 177.595 176.600 0.250 0.000 0.989 188 E CA 1.541 58.053 56.400 0.187 0.000 0.824 188 E CB -0.217 29.578 29.700 0.158 0.000 0.756 188 E HN 0.545 nan 8.360 nan 0.000 0.477 189 T N -1.819 112.855 114.554 0.201 0.000 3.122 189 T HA 0.171 4.516 4.350 -0.009 0.000 0.250 189 T C 0.436 175.299 174.700 0.271 0.000 1.067 189 T CA -0.358 61.885 62.100 0.237 0.000 0.966 189 T CB -0.212 68.742 68.868 0.144 0.000 1.002 189 T HN 0.191 nan 8.240 nan 0.000 0.542 190 c N 1.192 119.915 118.600 0.204 0.000 2.322 190 c HA 0.749 5.314 4.570 -0.009 0.000 0.324 190 c C 0.388 174.513 174.090 0.057 0.000 1.284 190 c CA -0.981 55.455 56.329 0.177 0.000 1.606 190 c CB -0.181 42.416 42.510 0.145 0.000 2.251 190 c HN 0.666 nan 8.230 nan 0.000 0.502 191 c N 6.826 125.417 118.600 -0.015 0.000 3.465 191 c HA 0.433 4.998 4.570 -0.009 0.000 0.193 191 c C -0.669 173.444 174.090 0.039 0.000 1.515 191 c CA -0.464 55.697 56.329 -0.281 0.000 1.340 191 c CB -1.478 40.301 42.510 -1.218 0.000 1.928 191 c HN 0.919 nan 8.230 nan 0.000 0.510 192 D N 1.318 121.821 120.400 0.173 0.000 2.168 192 D HA 0.234 4.869 4.640 -0.009 0.000 0.246 192 D C -0.311 176.101 176.300 0.186 0.000 1.050 192 D CA -0.203 53.885 54.000 0.147 0.000 0.857 192 D CB 1.146 41.923 40.800 -0.038 0.000 1.169 192 D HN 0.411 nan 8.370 nan 0.000 0.453 193 F N 3.406 123.352 119.950 -0.006 0.000 2.640 193 F HA 0.248 4.771 4.527 -0.007 0.000 0.354 193 F C -0.599 175.243 175.800 0.070 0.000 1.213 193 F CA -1.014 57.036 58.000 0.083 0.000 1.314 193 F CB -0.869 38.173 39.000 0.070 0.000 1.679 193 F HN 0.113 nan 8.300 nan 0.000 0.622 194 F N 1.705 121.692 119.950 0.062 0.000 2.504 194 F HA 0.281 4.802 4.527 -0.010 0.000 0.369 194 F C 1.019 176.775 175.800 -0.073 0.000 1.082 194 F CA 0.028 58.015 58.000 -0.021 0.000 1.216 194 F CB 0.520 39.469 39.000 -0.086 0.000 1.108 194 F HN 0.284 nan 8.300 nan 0.000 0.554 195 T N 0.433 115.016 114.554 0.048 0.000 2.916 195 T HA 0.534 4.879 4.350 -0.009 0.000 0.292 195 T C -0.503 174.261 174.700 0.108 0.000 1.055 195 T CA -1.300 60.795 62.100 -0.008 0.000 1.009 195 T CB 1.459 70.296 68.868 -0.050 0.000 1.118 195 T HN 0.503 nan 8.240 nan 0.000 0.497 196 N N 1.346 120.103 118.700 0.095 0.000 2.467 196 N HA 0.192 4.926 4.740 -0.009 0.000 0.262 196 N C 1.025 176.629 175.510 0.156 0.000 1.234 196 N CA -0.541 52.579 53.050 0.118 0.000 0.952 196 N CB 0.470 39.005 38.487 0.080 0.000 1.158 196 N HN 0.767 nan 8.380 nan 0.000 0.463 197 Q N 0.437 120.305 119.800 0.114 0.000 2.084 197 Q HA -0.144 4.191 4.340 -0.009 0.000 0.202 197 Q C 1.972 178.037 176.000 0.108 0.000 0.978 197 Q CA 1.872 57.734 55.803 0.099 0.000 0.844 197 Q CB -0.367 28.409 28.738 0.063 0.000 0.898 197 Q HN 0.832 nan 8.270 nan 0.000 0.426 198 A N 0.481 123.363 122.820 0.103 0.000 1.917 198 A HA -0.255 4.060 4.320 -0.009 0.000 0.219 198 A C 1.932 179.599 177.584 0.140 0.000 1.182 198 A CA 1.651 53.745 52.037 0.094 0.000 0.633 198 A CB -0.903 18.139 19.000 0.069 0.000 0.819 198 A HN 0.550 nan 8.150 nan 0.000 0.448 199 Y N 0.402 120.753 120.300 0.085 0.000 2.163 199 Y HA -0.008 4.536 4.550 -0.011 0.000 0.288 199 Y C 2.656 178.639 175.900 0.139 0.000 1.136 199 Y CA 1.240 59.420 58.100 0.133 0.000 1.147 199 Y CB -0.609 37.949 38.460 0.163 0.000 0.987 199 Y HN 0.310 nan 8.280 nan 0.000 0.509 200 A N 0.774 123.704 122.820 0.183 0.000 1.892 200 A HA -0.228 4.087 4.320 -0.009 0.000 0.218 200 A C 2.312 179.922 177.584 0.044 0.000 1.188 200 A CA 2.323 54.421 52.037 0.100 0.000 0.631 200 A CB -1.195 17.886 19.000 0.135 0.000 0.822 200 A HN 0.606 nan 8.150 nan 0.000 0.447 201 I N -0.770 119.832 120.570 0.055 0.000 2.162 201 I HA -0.218 3.946 4.170 -0.009 0.000 0.238 201 I C 3.043 179.186 176.117 0.043 0.000 1.076 201 I CA 1.044 62.380 61.300 0.060 0.000 1.353 201 I CB -0.501 37.526 38.000 0.045 0.000 1.063 201 I HN 0.359 nan 8.210 nan 0.000 0.408 202 A N -0.223 122.601 122.820 0.008 0.000 1.883 202 A HA -0.252 4.063 4.320 -0.009 0.000 0.217 202 A C 2.499 180.063 177.584 -0.034 0.000 1.186 202 A CA 2.392 54.430 52.037 0.003 0.000 0.624 202 A CB -0.896 18.117 19.000 0.022 0.000 0.822 202 A HN 0.407 nan 8.150 nan 0.000 0.444 203 S N -0.045 115.542 115.700 -0.189 0.000 2.368 203 S HA -0.146 4.319 4.470 -0.009 0.000 0.224 203 S C 2.300 176.877 174.600 -0.039 0.000 1.029 203 S CA 2.027 60.083 58.200 -0.240 0.000 0.988 203 S CB -0.500 62.228 63.200 -0.786 0.000 0.838 203 S HN 0.847 nan 8.310 nan 0.000 0.462 204 S N 0.977 116.713 115.700 0.060 0.000 2.406 204 S HA 0.065 4.530 4.470 -0.009 0.000 0.228 204 S C 1.830 176.598 174.600 0.280 0.000 1.020 204 S CA 0.898 59.254 58.200 0.261 0.000 0.965 204 S CB -0.670 62.793 63.200 0.438 0.000 0.798 204 S HN 0.569 nan 8.310 nan 0.000 0.488 205 I N 1.330 122.059 120.570 0.265 0.000 2.163 205 I HA -0.107 4.058 4.170 -0.009 0.000 0.240 205 I C 2.438 178.627 176.117 0.121 0.000 1.081 205 I CA 1.032 62.490 61.300 0.263 0.000 1.353 205 I CB -0.384 37.696 38.000 0.134 0.000 1.054 205 I HN 0.199 nan 8.210 nan 0.000 0.407 206 V N -0.008 119.941 119.914 0.059 0.000 2.358 206 V HA -0.218 3.897 4.120 -0.009 0.000 0.246 206 V C 2.415 178.497 176.094 -0.019 0.000 1.047 206 V CA 2.036 64.345 62.300 0.015 0.000 1.035 206 V CB -0.429 31.406 31.823 0.020 0.000 0.658 206 V HN 0.352 nan 8.190 nan 0.000 0.452 207 S N -1.125 114.564 115.700 -0.017 0.000 2.395 207 S HA 0.015 4.480 4.470 -0.009 0.000 0.225 207 S C 1.539 176.073 174.600 -0.109 0.000 1.027 207 S CA 1.407 59.575 58.200 -0.054 0.000 0.965 207 S CB -0.091 63.097 63.200 -0.021 0.000 0.812 207 S HN 0.606 nan 8.310 nan 0.000 0.482 208 F N -0.055 119.671 119.950 -0.373 0.000 2.522 208 F HA 0.321 4.842 4.527 -0.010 0.000 0.275 208 F C 1.585 177.121 175.800 -0.441 0.000 0.890 208 F CA -0.145 57.476 58.000 -0.631 0.000 1.157 208 F CB -0.464 37.659 39.000 -1.461 0.000 1.117 208 F HN 0.027 nan 8.300 nan 0.000 0.787 209 Y N 0.178 120.330 120.300 -0.247 0.000 2.224 209 Y HA -0.189 4.356 4.550 -0.008 0.000 0.289 209 Y C 2.431 178.183 175.900 -0.247 0.000 1.146 209 Y CA 1.634 59.566 58.100 -0.279 0.000 1.182 209 Y CB -0.696 37.737 38.460 -0.046 0.000 0.983 209 Y HN -0.047 nan 8.280 nan 0.000 0.524 210 V N 1.265 121.160 119.914 -0.033 0.000 2.223 210 V HA -0.230 3.885 4.120 -0.009 0.000 0.244 210 V C -0.354 175.664 176.094 -0.127 0.000 1.045 210 V CA 2.214 64.475 62.300 -0.064 0.000 1.000 210 V CB -1.708 30.087 31.823 -0.046 0.000 0.635 210 V HN 0.289 nan 8.190 nan 0.000 0.445 211 P HA -0.137 nan 4.420 nan 0.000 0.222 211 P C 1.876 179.032 177.300 -0.239 0.000 1.147 211 P CA 1.219 64.201 63.100 -0.197 0.000 0.790 211 P CB 0.012 31.580 31.700 -0.221 0.000 0.780 212 L N 0.062 121.073 121.223 -0.354 0.000 2.027 212 L HA -0.092 4.243 4.340 -0.009 0.000 0.206 212 L C 2.430 179.201 176.870 -0.165 0.000 1.074 212 L CA 1.684 56.308 54.840 -0.361 0.000 0.745 212 L CB -1.214 40.425 42.059 -0.699 0.000 0.898 212 L HN -0.251 nan 8.230 nan 0.000 0.433 213 V N 0.015 119.859 119.914 -0.117 0.000 2.343 213 V HA -0.310 3.805 4.120 -0.009 0.000 0.247 213 V C 2.504 178.599 176.094 0.002 0.000 1.051 213 V CA 2.206 64.487 62.300 -0.032 0.000 1.036 213 V CB -0.511 31.293 31.823 -0.032 0.000 0.654 213 V HN 0.434 nan 8.190 nan 0.000 0.451 214 I N -0.707 119.843 120.570 -0.033 0.000 2.142 214 I HA -0.332 3.833 4.170 -0.009 0.000 0.240 214 I C 2.544 178.682 176.117 0.035 0.000 1.078 214 I CA 2.136 63.439 61.300 0.004 0.000 1.343 214 I CB -0.373 37.602 38.000 -0.043 0.000 1.046 214 I HN 0.325 nan 8.210 nan 0.000 0.405 215 M N 0.717 120.298 119.600 -0.033 0.000 2.073 215 M HA -0.243 4.232 4.480 -0.009 0.000 0.258 215 M C 2.393 178.709 176.300 0.026 0.000 1.070 215 M CA 2.148 57.425 55.300 -0.040 0.000 1.103 215 M CB -0.116 32.420 32.600 -0.107 0.000 1.321 215 M HN 0.054 nan 8.290 nan 0.000 0.405 216 V N 0.446 120.387 119.914 0.044 0.000 2.295 216 V HA -0.296 3.819 4.120 -0.009 0.000 0.246 216 V C 2.197 178.360 176.094 0.114 0.000 1.049 216 V CA 2.309 64.666 62.300 0.094 0.000 1.024 216 V CB -1.095 30.785 31.823 0.094 0.000 0.648 216 V HN 0.605 nan 8.190 nan 0.000 0.447 217 F N 0.809 120.747 119.950 -0.021 0.000 2.069 217 F HA -0.201 4.322 4.527 -0.007 0.000 0.298 217 F C 2.256 178.006 175.800 -0.084 0.000 1.113 217 F CA 2.111 60.083 58.000 -0.047 0.000 1.214 217 F CB -0.526 38.429 39.000 -0.074 0.000 0.978 217 F HN -0.046 nan 8.300 nan 0.000 0.474 218 V N -0.720 119.121 119.914 -0.121 0.000 2.343 218 V HA -0.320 3.795 4.120 -0.009 0.000 0.247 218 V C 2.048 177.986 176.094 -0.261 0.000 1.051 218 V CA 2.150 64.262 62.300 -0.313 0.000 1.036 218 V CB -1.072 30.657 31.823 -0.156 0.000 0.654 218 V HN 0.489 nan 8.190 nan 0.000 0.451 219 Y N 1.283 121.440 120.300 -0.238 0.000 2.509 219 Y HA -0.134 4.410 4.550 -0.009 0.000 0.293 219 Y C 2.704 178.428 175.900 -0.293 0.000 1.133 219 Y CA 0.980 58.912 58.100 -0.280 0.000 1.283 219 Y CB -0.087 38.232 38.460 -0.235 0.000 1.001 219 Y HN 0.424 nan 8.280 nan 0.000 0.555 220 S N -0.667 114.963 115.700 -0.118 0.000 2.387 220 S HA -0.116 4.349 4.470 -0.009 0.000 0.226 220 S C 1.983 176.479 174.600 -0.173 0.000 1.026 220 S CA 0.472 58.653 58.200 -0.032 0.000 0.972 220 S CB -0.235 62.962 63.200 -0.005 0.000 0.814 220 S HN 0.286 nan 8.310 nan 0.000 0.477 221 R N 1.029 121.320 120.500 -0.348 0.000 2.148 221 R HA 0.128 4.462 4.340 -0.009 0.000 0.227 221 R C 2.236 178.419 176.300 -0.195 0.000 1.103 221 R CA 0.846 56.771 56.100 -0.292 0.000 0.983 221 R CB -1.279 28.758 30.300 -0.438 0.000 0.874 221 R HN 0.436 nan 8.270 nan 0.000 0.451 222 V N 0.679 120.374 119.914 -0.364 0.000 2.307 222 V HA -0.208 3.907 4.120 -0.009 0.000 0.245 222 V C 2.051 177.859 176.094 -0.478 0.000 1.045 222 V CA 1.560 63.550 62.300 -0.516 0.000 1.024 222 V CB -0.545 30.693 31.823 -0.976 0.000 0.651 222 V HN 0.032 nan 8.190 nan 0.000 0.449 223 F N 0.662 120.397 119.950 -0.358 0.000 2.102 223 F HA -0.197 4.325 4.527 -0.009 0.000 0.298 223 F C 2.633 178.309 175.800 -0.206 0.000 1.105 223 F CA 1.432 59.288 58.000 -0.240 0.000 1.239 223 F CB -1.139 37.792 39.000 -0.115 0.000 0.991 223 F HN 0.180 nan 8.300 nan 0.000 0.474 224 Q N -0.138 119.671 119.800 0.015 0.000 2.077 224 Q HA -0.224 4.111 4.340 -0.009 0.000 0.206 224 Q C 2.187 178.143 176.000 -0.074 0.000 0.989 224 Q CA 1.635 57.419 55.803 -0.032 0.000 0.853 224 Q CB -0.321 28.389 28.738 -0.046 0.000 0.907 224 Q HN 0.381 nan 8.270 nan 0.000 0.418 225 E N 0.416 120.545 120.200 -0.118 0.000 2.031 225 E HA -0.161 4.184 4.350 -0.009 0.000 0.193 225 E C 2.032 178.538 176.600 -0.156 0.000 0.994 225 E CA 1.128 57.438 56.400 -0.150 0.000 0.800 225 E CB -0.293 29.272 29.700 -0.225 0.000 0.752 225 E HN 0.345 nan 8.360 nan 0.000 0.447 226 A N 1.641 124.338 122.820 -0.205 0.000 1.873 226 A HA -0.273 4.042 4.320 -0.009 0.000 0.218 226 A C 2.179 179.596 177.584 -0.277 0.000 1.193 226 A CA 2.261 54.106 52.037 -0.320 0.000 0.629 226 A CB -0.562 18.140 19.000 -0.497 0.000 0.826 226 A HN 0.191 nan 8.150 nan 0.000 0.447 227 K N -0.750 119.528 120.400 -0.205 0.000 2.103 227 K HA -0.156 4.159 4.320 -0.009 0.000 0.207 227 K C 2.285 178.841 176.600 -0.073 0.000 1.048 227 K CA 1.520 57.731 56.287 -0.126 0.000 0.930 227 K CB -0.168 32.284 32.500 -0.080 0.000 0.716 227 K HN 0.432 nan 8.250 nan 0.000 0.444 228 R N 0.493 120.952 120.500 -0.069 0.000 2.235 228 R HA -0.081 4.253 4.340 -0.009 0.000 0.213 228 R C 1.673 177.922 176.300 -0.084 0.000 1.059 228 R CA 1.095 57.160 56.100 -0.058 0.000 0.997 228 R CB 0.134 30.403 30.300 -0.051 0.000 0.884 228 R HN 0.379 nan 8.270 nan 0.000 0.462 229 Q N 0.021 119.781 119.800 -0.067 0.000 2.378 229 Q HA 0.036 4.371 4.340 -0.009 0.000 0.205 229 Q C 0.644 176.551 176.000 -0.154 0.000 0.954 229 Q CA 0.248 56.021 55.803 -0.051 0.000 0.901 229 Q CB 0.178 28.960 28.738 0.073 0.000 0.981 229 Q HN 0.301 nan 8.270 nan 0.000 0.483 264 F N -0.339 119.708 119.950 0.161 0.000 3.091 264 F HA -0.370 4.151 4.527 -0.009 0.000 0.288 264 F C 0.985 176.828 175.800 0.073 0.000 0.907 264 F CA -0.014 58.063 58.000 0.130 0.000 1.028 264 F CB -2.038 37.006 39.000 0.073 0.000 1.022 264 F HN 0.578 nan 8.300 nan 0.000 0.665 265 C N -0.572 118.821 119.300 0.155 0.000 2.541 265 C HA 0.201 4.656 4.460 -0.009 0.000 0.284 265 C C 1.613 176.614 174.990 0.018 0.000 1.341 265 C CA -0.086 58.976 59.018 0.072 0.000 1.732 265 C CB -0.357 27.414 27.740 0.051 0.000 2.126 265 C HN 0.292 nan 8.230 nan 0.000 0.505 266 L N 3.100 124.287 121.223 -0.060 0.000 2.453 266 L HA 0.048 4.382 4.340 -0.009 0.000 0.272 266 L C 1.783 178.621 176.870 -0.053 0.000 1.182 266 L CA -0.021 54.724 54.840 -0.159 0.000 0.858 266 L CB 0.497 42.294 42.059 -0.435 0.000 1.120 266 L HN 0.465 nan 8.230 nan 0.000 0.474 267 K N 2.755 123.118 120.400 -0.061 0.000 2.089 267 K HA -0.246 4.068 4.320 -0.009 0.000 0.210 267 K C 1.346 177.953 176.600 0.011 0.000 1.048 267 K CA 1.922 58.200 56.287 -0.016 0.000 0.926 267 K CB -0.267 32.206 32.500 -0.044 0.000 0.714 267 K HN 0.754 nan 8.250 nan 0.000 0.448 268 E N 1.462 121.616 120.200 -0.076 0.000 2.106 268 E HA -0.230 4.115 4.350 -0.009 0.000 0.192 268 E C 1.885 178.617 176.600 0.221 0.000 0.984 268 E CA 1.494 57.847 56.400 -0.079 0.000 0.806 268 E CB -0.775 28.625 29.700 -0.500 0.000 0.750 268 E HN 0.683 nan 8.360 nan 0.000 0.458 269 H N 1.105 120.234 119.070 0.100 0.000 2.395 269 H HA 0.078 4.629 4.556 -0.008 0.000 0.299 269 H C 2.183 177.767 175.328 0.427 0.000 1.070 269 H CA 0.966 57.164 56.048 0.251 0.000 1.356 269 H CB 0.242 30.079 29.762 0.124 0.000 1.401 269 H HN 0.122 nan 8.280 nan 0.000 0.524 270 K N 0.884 121.541 120.400 0.429 0.000 2.032 270 K HA -0.149 4.166 4.320 -0.009 0.000 0.209 270 K C 2.520 179.269 176.600 0.249 0.000 1.048 270 K CA 1.047 57.515 56.287 0.301 0.000 0.927 270 K CB -0.152 32.453 32.500 0.175 0.000 0.712 270 K HN 0.185 nan 8.250 nan 0.000 0.441 271 A N 1.681 124.640 122.820 0.231 0.000 1.908 271 A HA -0.165 4.149 4.320 -0.009 0.000 0.218 271 A C 2.171 179.928 177.584 0.288 0.000 1.181 271 A CA 1.388 53.558 52.037 0.221 0.000 0.627 271 A CB -0.743 18.368 19.000 0.185 0.000 0.818 271 A HN 0.183 nan 8.150 nan 0.000 0.445 272 L N -0.860 120.586 121.223 0.371 0.000 2.079 272 L HA -0.217 4.118 4.340 -0.009 0.000 0.210 272 L C 2.633 179.853 176.870 0.583 0.000 1.081 272 L CA 1.944 57.063 54.840 0.465 0.000 0.752 272 L CB -0.433 41.874 42.059 0.414 0.000 0.896 272 L HN 0.483 nan 8.230 nan 0.000 0.433 273 K N -0.226 120.465 120.400 0.485 0.000 2.057 273 K HA -0.155 4.160 4.320 -0.009 0.000 0.206 273 K C 2.031 178.737 176.600 0.175 0.000 1.050 273 K CA 1.770 58.199 56.287 0.237 0.000 0.935 273 K CB -0.029 32.285 32.500 -0.310 0.000 0.715 273 K HN 0.188 nan 8.250 nan 0.000 0.439 274 T N 2.089 116.736 114.554 0.155 0.000 2.635 274 T HA -0.193 4.151 4.350 -0.009 0.000 0.267 274 T C 1.785 176.566 174.700 0.136 0.000 1.040 274 T CA 1.726 63.903 62.100 0.127 0.000 1.156 274 T CB -0.275 68.686 68.868 0.153 0.000 0.863 274 T HN 0.167 nan 8.240 nan 0.000 0.430 275 L N 0.634 121.958 121.223 0.168 0.000 2.042 275 L HA -0.045 4.290 4.340 -0.009 0.000 0.210 275 L C 3.078 179.903 176.870 -0.074 0.000 1.076 275 L CA 1.440 56.315 54.840 0.058 0.000 0.749 275 L CB -1.118 40.969 42.059 0.047 0.000 0.893 275 L HN 0.390 nan 8.230 nan 0.000 0.432 276 G N 0.160 109.015 108.800 0.093 0.000 2.450 276 G HA2 -0.223 3.731 3.960 -0.009 0.000 0.220 276 G HA3 -0.223 3.731 3.960 -0.009 0.000 0.220 276 G C 1.583 176.558 174.900 0.126 0.000 1.130 276 G CA 0.655 45.875 45.100 0.199 0.000 0.760 276 G HN 0.314 nan 8.290 nan 0.000 0.557 277 I N 0.591 121.217 120.570 0.094 0.000 2.353 277 I HA -0.072 4.093 4.170 -0.009 0.000 0.248 277 I C 2.444 178.586 176.117 0.041 0.000 1.119 277 I CA 0.302 61.630 61.300 0.046 0.000 1.417 277 I CB -0.093 37.911 38.000 0.007 0.000 1.078 277 I HN 0.077 nan 8.210 nan 0.000 0.421 278 I N 0.546 121.134 120.570 0.030 0.000 2.179 278 I HA -0.280 3.885 4.170 -0.009 0.000 0.242 278 I C 2.560 178.726 176.117 0.081 0.000 1.088 278 I CA 1.908 63.234 61.300 0.043 0.000 1.357 278 I CB -0.788 37.236 38.000 0.041 0.000 1.051 278 I HN 0.263 nan 8.210 nan 0.000 0.409 279 M N 0.229 119.835 119.600 0.011 0.000 2.099 279 M HA -0.100 4.375 4.480 -0.009 0.000 0.262 279 M C 2.360 178.738 176.300 0.131 0.000 1.067 279 M CA 2.097 57.406 55.300 0.014 0.000 1.124 279 M CB -0.934 31.587 32.600 -0.132 0.000 1.353 279 M HN 0.277 nan 8.290 nan 0.000 0.410 280 G N -0.562 108.307 108.800 0.113 0.000 2.418 280 G HA2 -0.186 3.769 3.960 -0.009 0.000 0.217 280 G HA3 -0.186 3.769 3.960 -0.009 0.000 0.217 280 G C 1.483 176.474 174.900 0.152 0.000 1.158 280 G CA 1.507 46.687 45.100 0.133 0.000 0.771 280 G HN 0.376 nan 8.290 nan 0.000 0.545 281 T N 0.611 115.252 114.554 0.146 0.000 2.708 281 T HA -0.119 4.225 4.350 -0.009 0.000 0.266 281 T C 1.932 176.772 174.700 0.234 0.000 1.037 281 T CA 1.125 63.317 62.100 0.153 0.000 1.146 281 T CB -0.322 68.629 68.868 0.138 0.000 0.865 281 T HN 0.246 nan 8.240 nan 0.000 0.435 282 F N 1.885 121.935 119.950 0.167 0.000 2.126 282 F HA -0.196 4.325 4.527 -0.009 0.000 0.299 282 F C 2.465 178.464 175.800 0.332 0.000 1.096 282 F CA 1.471 59.630 58.000 0.266 0.000 1.255 282 F CB -0.622 38.514 39.000 0.226 0.000 0.997 282 F HN 0.083 nan 8.300 nan 0.000 0.479 283 T N 1.277 116.099 114.554 0.446 0.000 2.674 283 T HA -0.177 4.167 4.350 -0.009 0.000 0.265 283 T C 2.099 176.959 174.700 0.267 0.000 1.039 283 T CA 1.775 64.103 62.100 0.379 0.000 1.150 283 T CB -0.569 68.460 68.868 0.268 0.000 0.864 283 T HN 0.232 nan 8.240 nan 0.000 0.427 284 L N 0.315 121.643 121.223 0.175 0.000 2.131 284 L HA -0.087 4.248 4.340 -0.009 0.000 0.210 284 L C 2.774 179.669 176.870 0.042 0.000 1.092 284 L CA 0.745 55.651 54.840 0.109 0.000 0.759 284 L CB -0.589 41.516 42.059 0.076 0.000 0.903 284 L HN 0.396 nan 8.230 nan 0.000 0.435 285 C N -1.569 117.714 119.300 -0.027 0.000 2.457 285 C HA -0.122 4.333 4.460 -0.009 0.000 0.278 285 C C 2.345 177.073 174.990 -0.437 0.000 1.309 285 C CA 0.270 59.142 59.018 -0.243 0.000 1.735 285 C CB -0.905 26.634 27.740 -0.334 0.000 1.992 285 C HN 0.659 nan 8.230 nan 0.000 0.493 286 W N -0.641 120.554 121.300 -0.176 0.000 2.762 286 W HA 0.225 4.881 4.660 -0.008 0.000 0.265 286 W C 2.142 178.670 176.519 0.014 0.000 1.263 286 W CA -0.371 56.873 57.345 -0.168 0.000 1.411 286 W CB -0.443 28.818 29.460 -0.332 0.000 1.065 286 W HN 0.063 nan 8.180 nan 0.000 0.609 287 L N 1.848 123.275 121.223 0.340 0.000 2.013 287 L HA -0.130 4.205 4.340 -0.009 0.000 0.212 287 L C -0.672 176.357 176.870 0.265 0.000 1.073 287 L CA 2.329 57.391 54.840 0.369 0.000 0.753 287 L CB -1.776 40.499 42.059 0.360 0.000 0.890 287 L HN -0.232 nan 8.230 nan 0.000 0.432 288 P HA -0.232 nan 4.420 nan 0.000 0.215 288 P C 1.737 179.103 177.300 0.110 0.000 1.157 288 P CA 1.548 64.721 63.100 0.122 0.000 0.868 288 P CB -0.275 31.466 31.700 0.067 0.000 0.788 289 F N -0.564 119.345 119.950 -0.067 0.000 2.069 289 F HA -0.206 4.317 4.527 -0.008 0.000 0.298 289 F C 1.985 177.695 175.800 -0.150 0.000 1.113 289 F CA 1.650 59.539 58.000 -0.185 0.000 1.214 289 F CB -0.971 37.832 39.000 -0.327 0.000 0.978 289 F HN -0.223 nan 8.300 nan 0.000 0.474 290 F N 0.187 120.118 119.950 -0.032 0.000 2.293 290 F HA -0.101 4.420 4.527 -0.010 0.000 0.300 290 F C 2.222 178.065 175.800 0.073 0.000 1.086 290 F CA 0.975 58.884 58.000 -0.151 0.000 1.375 290 F CB -0.508 38.124 39.000 -0.613 0.000 1.045 290 F HN -0.021 nan 8.300 nan 0.000 0.516 291 I N -0.911 119.821 120.570 0.270 0.000 2.252 291 I HA -0.246 3.919 4.170 -0.009 0.000 0.245 291 I C 2.166 178.316 176.117 0.054 0.000 1.102 291 I CA 0.832 62.266 61.300 0.223 0.000 1.385 291 I CB -0.456 37.649 38.000 0.176 0.000 1.064 291 I HN -0.097 nan 8.210 nan 0.000 0.414 292 V N 1.177 121.069 119.914 -0.038 0.000 2.515 292 V HA -0.231 3.884 4.120 -0.009 0.000 0.250 292 V C 2.084 178.049 176.094 -0.215 0.000 1.058 292 V CA 1.585 63.779 62.300 -0.176 0.000 1.064 292 V CB -0.896 30.886 31.823 -0.069 0.000 0.675 292 V HN 0.444 nan 8.190 nan 0.000 0.461 293 N N 0.519 119.145 118.700 -0.123 0.000 2.069 293 N HA -0.118 4.617 4.740 -0.009 0.000 0.191 293 N C 1.725 177.245 175.510 0.017 0.000 1.031 293 N CA 1.680 54.696 53.050 -0.058 0.000 0.852 293 N CB -0.323 38.150 38.487 -0.023 0.000 1.018 293 N HN 0.437 nan 8.380 nan 0.000 0.423 294 I N 0.022 120.628 120.570 0.059 0.000 2.286 294 I HA -0.157 4.008 4.170 -0.009 0.000 0.245 294 I C 1.984 178.098 176.117 -0.005 0.000 1.104 294 I CA 0.518 61.852 61.300 0.056 0.000 1.397 294 I CB -0.214 37.834 38.000 0.080 0.000 1.072 294 I HN -0.097 nan 8.210 nan 0.000 0.417 295 V N 0.627 120.500 119.914 -0.068 0.000 2.380 295 V HA -0.322 3.793 4.120 -0.009 0.000 0.251 295 V C 2.414 178.446 176.094 -0.103 0.000 1.063 295 V CA 1.882 64.109 62.300 -0.122 0.000 1.055 295 V CB -0.981 30.714 31.823 -0.212 0.000 0.657 295 V HN 0.448 nan 8.190 nan 0.000 0.455 296 H N -0.937 118.099 119.070 -0.057 0.000 2.524 296 H HA 0.056 4.606 4.556 -0.010 0.000 0.282 296 H C 2.139 177.436 175.328 -0.051 0.000 1.016 296 H CA 1.021 57.020 56.048 -0.082 0.000 1.270 296 H CB -0.080 29.584 29.762 -0.163 0.000 1.394 296 H HN 0.335 nan 8.280 nan 0.000 0.568 297 V N 0.596 120.556 119.914 0.077 0.000 2.591 297 V HA -0.141 3.974 4.120 -0.009 0.000 0.249 297 V C 2.361 178.475 176.094 0.033 0.000 1.053 297 V CA 0.787 63.117 62.300 0.051 0.000 1.068 297 V CB -0.090 31.761 31.823 0.047 0.000 0.689 297 V HN 0.249 nan 8.190 nan 0.000 0.462 298 I N -0.327 120.258 120.570 0.025 0.000 2.141 298 I HA -0.029 4.135 4.170 -0.009 0.000 0.236 298 I C 1.212 177.341 176.117 0.021 0.000 1.071 298 I CA 1.235 62.544 61.300 0.014 0.000 1.345 298 I CB -0.488 37.513 38.000 0.001 0.000 1.066 298 I HN 0.377 nan 8.210 nan 0.000 0.406 299 Q N 1.104 120.927 119.800 0.038 0.000 2.294 299 Q HA 0.273 4.607 4.340 -0.009 0.000 0.264 299 Q C -1.163 174.907 176.000 0.117 0.000 0.992 299 Q CA -0.392 55.440 55.803 0.048 0.000 0.747 299 Q CB 1.347 30.105 28.738 0.033 0.000 1.262 299 Q HN 0.130 nan 8.270 nan 0.000 0.452 300 D N 2.357 122.795 120.400 0.063 0.000 2.339 300 D HA 0.279 4.914 4.640 -0.009 0.000 0.245 300 D C 0.004 176.266 176.300 -0.064 0.000 1.115 300 D CA 0.667 54.665 54.000 -0.003 0.000 0.917 300 D CB 0.639 41.377 40.800 -0.102 0.000 1.192 300 D HN 0.693 nan 8.370 nan 0.000 0.428 301 N N 0.935 119.448 118.700 -0.311 0.000 2.828 301 N HA -0.225 4.510 4.740 -0.009 0.000 0.248 301 N C 0.987 176.515 175.510 0.029 0.000 1.044 301 N CA 0.425 53.365 53.050 -0.184 0.000 0.851 301 N CB -1.235 37.183 38.487 -0.115 0.000 1.136 301 N HN 0.358 nan 8.380 nan 0.000 0.572 302 L N 0.560 121.900 121.223 0.195 0.000 2.201 302 L HA 0.179 4.514 4.340 -0.009 0.000 0.212 302 L C 0.734 177.687 176.870 0.139 0.000 1.105 302 L CA 1.566 56.493 54.840 0.146 0.000 0.775 302 L CB 0.160 42.284 42.059 0.108 0.000 0.913 302 L HN 0.251 nan 8.230 nan 0.000 0.440 303 I N 0.044 120.764 120.570 0.250 0.000 2.436 303 I HA 0.253 4.418 4.170 -0.009 0.000 0.289 303 I C 0.155 176.368 176.117 0.160 0.000 1.010 303 I CA -0.860 60.541 61.300 0.168 0.000 1.098 303 I CB 1.472 39.552 38.000 0.133 0.000 1.266 303 I HN -0.046 nan 8.210 nan 0.000 0.434 304 R N 3.995 124.555 120.500 0.100 0.000 2.758 304 R HA -0.024 4.310 4.340 -0.009 0.000 0.263 304 R C 1.288 177.651 176.300 0.104 0.000 1.010 304 R CA -0.028 56.116 56.100 0.073 0.000 1.114 304 R CB 0.610 30.945 30.300 0.058 0.000 0.985 304 R HN 0.568 nan 8.270 nan 0.000 0.439 305 K N 2.156 122.600 120.400 0.072 0.000 2.063 305 K HA -0.229 4.086 4.320 -0.009 0.000 0.208 305 K C 1.150 177.844 176.600 0.157 0.000 1.048 305 K CA 1.842 58.194 56.287 0.108 0.000 0.928 305 K CB 0.137 32.675 32.500 0.064 0.000 0.713 305 K HN 0.526 nan 8.250 nan 0.000 0.442 306 E N -0.090 120.172 120.200 0.103 0.000 2.150 306 E HA -0.145 4.200 4.350 -0.009 0.000 0.193 306 E C 1.924 178.584 176.600 0.100 0.000 0.985 306 E CA 1.062 57.514 56.400 0.087 0.000 0.814 306 E CB 0.154 29.881 29.700 0.045 0.000 0.752 306 E HN 0.105 nan 8.360 nan 0.000 0.466 307 V N 0.465 120.449 119.914 0.117 0.000 2.323 307 V HA -0.252 3.863 4.120 -0.009 0.000 0.244 307 V C 1.962 178.153 176.094 0.162 0.000 1.041 307 V CA 1.722 64.091 62.300 0.115 0.000 1.025 307 V CB -0.519 31.367 31.823 0.105 0.000 0.656 307 V HN 0.319 nan 8.190 nan 0.000 0.451 308 Y N 0.405 120.754 120.300 0.082 0.000 2.165 308 Y HA -0.267 4.278 4.550 -0.008 0.000 0.286 308 Y C 2.303 178.303 175.900 0.167 0.000 1.155 308 Y CA 1.888 60.049 58.100 0.101 0.000 1.164 308 Y CB -0.095 38.420 38.460 0.091 0.000 0.978 308 Y HN 0.167 nan 8.280 nan 0.000 0.513 309 I N -0.701 119.971 120.570 0.170 0.000 2.179 309 I HA -0.303 3.862 4.170 -0.009 0.000 0.242 309 I C 2.272 178.474 176.117 0.142 0.000 1.088 309 I CA 1.091 62.481 61.300 0.150 0.000 1.357 309 I CB -0.446 37.672 38.000 0.197 0.000 1.051 309 I HN 0.304 nan 8.210 nan 0.000 0.409 310 L N 0.846 122.126 121.223 0.095 0.000 2.046 310 L HA -0.186 4.148 4.340 -0.009 0.000 0.208 310 L C 2.241 179.123 176.870 0.020 0.000 1.077 310 L CA 1.856 56.736 54.840 0.067 0.000 0.747 310 L CB -0.597 41.485 42.059 0.039 0.000 0.896 310 L HN 0.157 nan 8.230 nan 0.000 0.432 311 L N -0.677 120.538 121.223 -0.012 0.000 2.191 311 L HA -0.217 4.118 4.340 -0.009 0.000 0.212 311 L C 2.284 179.008 176.870 -0.243 0.000 1.103 311 L CA 1.616 56.416 54.840 -0.066 0.000 0.769 311 L CB -0.750 41.320 42.059 0.018 0.000 0.908 311 L HN 0.501 nan 8.230 nan 0.000 0.438 312 N N -0.594 117.912 118.700 -0.323 0.000 2.171 312 N HA -0.185 4.549 4.740 -0.009 0.000 0.184 312 N C 1.787 176.657 175.510 -1.068 0.000 1.021 312 N CA 0.861 53.373 53.050 -0.897 0.000 0.854 312 N CB -0.068 37.949 38.487 -0.783 0.000 0.994 312 N HN 0.202 nan 8.380 nan 0.000 0.426 313 W N 1.081 121.995 121.300 -0.644 0.000 2.465 313 W HA 0.107 4.762 4.660 -0.009 0.000 0.268 313 W C 1.738 178.030 176.519 -0.379 0.000 1.242 313 W CA 0.313 57.405 57.345 -0.422 0.000 1.248 313 W CB -0.077 29.292 29.460 -0.152 0.000 1.118 313 W HN 0.112 nan 8.180 nan 0.000 0.587 314 I N -0.483 119.939 120.570 -0.247 0.000 2.315 314 I HA -0.157 4.008 4.170 -0.009 0.000 0.248 314 I C 2.661 178.399 176.117 -0.632 0.000 1.117 314 I CA 1.408 62.534 61.300 -0.289 0.000 1.404 314 I CB -1.100 36.772 38.000 -0.213 0.000 1.071 314 I HN 0.026 nan 8.210 nan 0.000 0.419 315 G N 0.232 108.335 108.800 -1.161 0.000 2.453 315 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.215 315 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.215 315 G C 1.603 175.766 174.900 -1.229 0.000 1.201 315 G CA 0.642 44.365 45.100 -2.296 0.000 0.784 315 G HN 0.329 nan 8.290 nan 0.000 0.545 316 Y N 0.129 119.911 120.300 -0.863 0.000 2.081 316 Y HA -0.209 4.336 4.550 -0.009 0.000 0.280 316 Y C 3.159 178.818 175.900 -0.403 0.000 1.163 316 Y CA 0.571 58.366 58.100 -0.510 0.000 1.135 316 Y CB -0.431 37.593 38.460 -0.726 0.000 0.970 316 Y HN 0.036 nan 8.280 nan 0.000 0.498 317 V N 0.706 120.487 119.914 -0.221 0.000 2.453 317 V HA -0.368 3.747 4.120 -0.009 0.000 0.252 317 V C 1.910 177.567 176.094 -0.728 0.000 1.068 317 V CA 2.199 64.302 62.300 -0.329 0.000 1.070 317 V CB -0.820 30.894 31.823 -0.182 0.000 0.664 317 V HN 0.495 nan 8.190 nan 0.000 0.461 318 N N 0.353 118.687 118.700 -0.610 0.000 2.192 318 N HA -0.196 4.538 4.740 -0.009 0.000 0.188 318 N C 1.717 177.029 175.510 -0.331 0.000 1.013 318 N CA 1.722 54.459 53.050 -0.522 0.000 0.863 318 N CB -0.226 38.134 38.487 -0.211 0.000 0.990 318 N HN 0.442 nan 8.380 nan 0.000 0.430 319 S N -1.438 114.148 115.700 -0.190 0.000 2.493 319 S HA -0.044 4.421 4.470 -0.009 0.000 0.243 319 S C 1.633 176.162 174.600 -0.120 0.000 0.991 319 S CA 1.004 59.168 58.200 -0.061 0.000 0.957 319 S CB -0.432 62.758 63.200 -0.017 0.000 0.756 319 S HN 0.633 nan 8.310 nan 0.000 0.521 320 G N -0.702 107.913 108.800 -0.308 0.000 2.986 320 G HA2 0.202 4.157 3.960 -0.009 0.000 0.213 320 G HA3 0.202 4.157 3.960 -0.009 0.000 0.213 320 G C 0.887 175.744 174.900 -0.072 0.000 1.156 320 G CA -0.289 44.688 45.100 -0.205 0.000 0.763 320 G HN 0.543 nan 8.290 nan 0.000 0.547 321 F N 0.756 120.699 119.950 -0.013 0.000 2.317 321 F HA 0.055 4.577 4.527 -0.009 0.000 0.293 321 F C 2.467 178.190 175.800 -0.130 0.000 1.085 321 F CA -0.114 57.855 58.000 -0.052 0.000 1.390 321 F CB 0.077 39.052 39.000 -0.041 0.000 1.077 321 F HN -0.032 nan 8.300 nan 0.000 0.517 322 N N 1.193 119.898 118.700 0.009 0.000 2.094 322 N HA -0.154 4.581 4.740 -0.009 0.000 0.191 322 N C -1.006 174.119 175.510 -0.641 0.000 1.023 322 N CA 1.452 54.281 53.050 -0.369 0.000 0.857 322 N CB -1.894 36.428 38.487 -0.275 0.000 1.013 322 N HN 0.167 nan 8.380 nan 0.000 0.426 323 P HA -0.099 nan 4.420 nan 0.000 0.216 323 P C 1.512 178.833 177.300 0.036 0.000 1.153 323 P CA 0.961 64.081 63.100 0.033 0.000 0.858 323 P CB -0.012 31.720 31.700 0.054 0.000 0.789 324 L N -1.630 119.597 121.223 0.007 0.000 2.093 324 L HA -0.121 4.214 4.340 -0.009 0.000 0.208 324 L C 2.391 179.263 176.870 0.003 0.000 1.085 324 L CA 1.228 56.093 54.840 0.042 0.000 0.755 324 L CB -0.803 41.288 42.059 0.053 0.000 0.904 324 L HN -0.089 nan 8.230 nan 0.000 0.435 325 I N -1.286 119.213 120.570 -0.119 0.000 2.361 325 I HA -0.302 3.862 4.170 -0.009 0.000 0.251 325 I C 2.032 178.096 176.117 -0.088 0.000 1.133 325 I CA 1.445 62.660 61.300 -0.143 0.000 1.413 325 I CB -0.306 37.566 38.000 -0.215 0.000 1.073 325 I HN 0.211 nan 8.210 nan 0.000 0.424 326 Y N -0.672 119.620 120.300 -0.013 0.000 2.571 326 Y HA -0.163 4.382 4.550 -0.009 0.000 0.294 326 Y C 2.573 178.475 175.900 0.003 0.000 1.141 326 Y CA -0.164 57.837 58.100 -0.165 0.000 1.308 326 Y CB -0.468 37.685 38.460 -0.512 0.000 1.002 326 Y HN 0.240 nan 8.280 nan 0.000 0.551 327 C N 0.034 119.501 119.300 0.277 0.000 2.449 327 C HA -0.120 4.335 4.460 -0.009 0.000 0.283 327 C C 2.481 177.558 174.990 0.145 0.000 1.453 327 C CA 0.590 59.762 59.018 0.258 0.000 1.779 327 C CB -1.207 26.684 27.740 0.252 0.000 1.779 327 C HN 0.508 nan 8.230 nan 0.000 0.546 328 R N 0.630 121.196 120.500 0.110 0.000 2.152 328 R HA -0.072 4.263 4.340 -0.009 0.000 0.232 328 R C 1.290 177.646 176.300 0.094 0.000 1.117 328 R CA 0.736 56.884 56.100 0.081 0.000 0.981 328 R CB -0.232 30.105 30.300 0.062 0.000 0.870 328 R HN 0.402 nan 8.270 nan 0.000 0.451 329 S N 0.651 116.429 115.700 0.130 0.000 2.528 329 S HA 0.136 4.601 4.470 -0.009 0.000 0.277 329 S C -1.812 172.847 174.600 0.099 0.000 1.297 329 S CA -1.762 56.527 58.200 0.149 0.000 1.052 329 S CB 1.181 64.556 63.200 0.291 0.000 0.917 329 S HN -0.094 nan 8.310 nan 0.000 0.492 330 P HA 0.013 nan 4.420 nan 0.000 0.221 330 P C 0.477 177.743 177.300 -0.056 0.000 1.150 330 P CA 0.732 63.832 63.100 0.001 0.000 0.800 330 P CB 0.125 31.820 31.700 -0.009 0.000 0.787 331 D N -1.123 119.235 120.400 -0.069 0.000 2.123 331 D HA -0.083 4.552 4.640 -0.009 0.000 0.200 331 D C 1.720 177.800 176.300 -0.367 0.000 0.976 331 D CA 1.096 54.971 54.000 -0.209 0.000 0.831 331 D CB -0.886 39.781 40.800 -0.221 0.000 0.974 331 D HN 0.147 nan 8.370 nan 0.000 0.469 332 F N 0.831 120.571 119.950 -0.351 0.000 2.146 332 F HA -0.006 4.516 4.527 -0.009 0.000 0.298 332 F C 2.556 177.835 175.800 -0.868 0.000 1.096 332 F CA 0.736 58.313 58.000 -0.704 0.000 1.275 332 F CB -0.153 38.457 39.000 -0.650 0.000 1.008 332 F HN -0.180 nan 8.300 nan 0.000 0.480 333 R N 0.689 121.067 120.500 -0.205 0.000 2.091 333 R HA -0.173 4.162 4.340 -0.009 0.000 0.238 333 R C 2.146 178.400 176.300 -0.076 0.000 1.136 333 R CA 1.701 57.775 56.100 -0.044 0.000 0.959 333 R CB -0.508 29.818 30.300 0.043 0.000 0.856 333 R HN 0.279 nan 8.270 nan 0.000 0.437 334 I N 0.348 120.821 120.570 -0.162 0.000 2.252 334 I HA -0.230 3.935 4.170 -0.009 0.000 0.245 334 I C 2.520 178.455 176.117 -0.304 0.000 1.102 334 I CA 1.181 62.367 61.300 -0.191 0.000 1.385 334 I CB -0.359 37.512 38.000 -0.215 0.000 1.064 334 I HN 0.307 nan 8.210 nan 0.000 0.414 335 A N 1.184 123.707 122.820 -0.496 0.000 1.865 335 A HA -0.219 4.095 4.320 -0.009 0.000 0.217 335 A C 2.089 179.585 177.584 -0.147 0.000 1.191 335 A CA 1.684 53.327 52.037 -0.657 0.000 0.623 335 A CB -0.992 17.579 19.000 -0.716 0.000 0.826 335 A HN 0.294 nan 8.150 nan 0.000 0.444 336 F N 0.880 120.822 119.950 -0.013 0.000 2.069 336 F HA -0.256 4.266 4.527 -0.009 0.000 0.298 336 F C 2.854 178.693 175.800 0.065 0.000 1.113 336 F CA 1.303 59.349 58.000 0.076 0.000 1.214 336 F CB -1.375 37.703 39.000 0.129 0.000 0.978 336 F HN 0.577 nan 8.300 nan 0.000 0.474 337 Q N 0.046 119.990 119.800 0.239 0.000 2.234 337 Q HA -0.220 4.115 4.340 -0.009 0.000 0.206 337 Q C 1.931 177.997 176.000 0.110 0.000 0.980 337 Q CA 1.648 57.540 55.803 0.148 0.000 0.869 337 Q CB -0.688 28.109 28.738 0.099 0.000 0.912 337 Q HN 0.447 nan 8.270 nan 0.000 0.436 338 E N 1.666 121.916 120.200 0.085 0.000 2.047 338 E HA -0.122 4.222 4.350 -0.009 0.000 0.191 338 E C 2.116 178.816 176.600 0.167 0.000 0.987 338 E CA 0.977 57.444 56.400 0.111 0.000 0.799 338 E CB -0.111 29.653 29.700 0.107 0.000 0.752 338 E HN 0.517 nan 8.360 nan 0.000 0.449 339 L N 0.459 121.811 121.223 0.215 0.000 2.191 339 L HA -0.113 4.222 4.340 -0.009 0.000 0.212 339 L C 2.150 179.104 176.870 0.140 0.000 1.103 339 L CA 0.637 55.594 54.840 0.196 0.000 0.769 339 L CB -0.208 41.990 42.059 0.233 0.000 0.908 339 L HN 0.087 nan 8.230 nan 0.000 0.438 340 L N -0.728 120.585 121.223 0.151 0.000 2.728 340 L HA 0.106 4.440 4.340 -0.009 0.000 0.235 340 L C 0.247 177.182 176.870 0.109 0.000 1.197 340 L CA -0.560 54.363 54.840 0.139 0.000 0.992 340 L CB -0.329 41.831 42.059 0.168 0.000 1.263 340 L HN 0.318 nan 8.230 nan 0.000 0.484 341 C N 0.733 120.092 119.300 0.097 0.000 3.896 341 C HA -0.171 4.284 4.460 -0.009 0.000 0.300 341 C C 0.618 175.648 174.990 0.066 0.000 1.322 341 C CA 0.040 59.103 59.018 0.075 0.000 2.130 341 C CB -3.184 24.594 27.740 0.063 0.000 1.363 341 C HN 0.430 nan 8.230 nan 0.000 0.642 1003 I N -0.617 119.835 120.570 -0.196 0.000 2.264 1003 I HA -0.146 4.018 4.170 -0.009 0.000 0.248 1003 I C 1.625 177.732 176.117 -0.017 0.000 1.111 1003 I CA 1.321 62.636 61.300 0.026 0.000 1.382 1003 I CB -0.160 37.976 38.000 0.226 0.000 1.060 1003 I HN 0.513 nan 8.210 nan 0.000 0.418 1004 F N 2.067 121.921 119.950 -0.160 0.000 2.102 1004 F HA -0.247 4.275 4.527 -0.009 0.000 0.298 1004 F C 2.402 177.889 175.800 -0.522 0.000 1.105 1004 F CA 1.792 59.491 58.000 -0.502 0.000 1.239 1004 F CB -0.399 38.423 39.000 -0.297 0.000 0.991 1004 F HN 0.063 nan 8.300 nan 0.000 0.474 1005 E N 0.410 120.268 120.200 -0.570 0.000 2.072 1005 E HA -0.263 4.082 4.350 -0.009 0.000 0.191 1005 E C 2.368 178.630 176.600 -0.565 0.000 0.985 1005 E CA 1.502 57.522 56.400 -0.633 0.000 0.801 1005 E CB -0.840 28.599 29.700 -0.434 0.000 0.750 1005 E HN 0.588 nan 8.360 nan 0.000 0.452 1006 M N 0.245 119.496 119.600 -0.583 0.000 2.080 1006 M HA -0.183 4.292 4.480 -0.009 0.000 0.260 1006 M C 1.702 177.777 176.300 -0.375 0.000 1.068 1006 M CA 1.457 56.370 55.300 -0.645 0.000 1.109 1006 M CB 0.074 32.320 32.600 -0.590 0.000 1.342 1006 M HN 0.049 nan 8.290 nan 0.000 0.405 1007 L N -0.167 120.816 121.223 -0.399 0.000 2.240 1007 L HA -0.051 4.284 4.340 -0.009 0.000 0.211 1007 L C 2.477 179.121 176.870 -0.377 0.000 1.106 1007 L CA 1.289 55.930 54.840 -0.332 0.000 0.793 1007 L CB -1.355 40.477 42.059 -0.377 0.000 0.927 1007 L HN 0.486 nan 8.230 nan 0.000 0.446 1008 R N 0.207 120.350 120.500 -0.594 0.000 2.092 1008 R HA -0.128 4.207 4.340 -0.009 0.000 0.231 1008 R C 2.248 178.367 176.300 -0.302 0.000 1.119 1008 R CA 1.254 57.025 56.100 -0.548 0.000 0.970 1008 R CB 0.010 29.787 30.300 -0.871 0.000 0.864 1008 R HN 0.252 nan 8.270 nan 0.000 0.440 1009 I N 0.539 120.971 120.570 -0.230 0.000 2.277 1009 I HA -0.207 3.958 4.170 -0.009 0.000 0.243 1009 I C 1.570 177.685 176.117 -0.003 0.000 1.094 1009 I CA 1.120 62.376 61.300 -0.073 0.000 1.393 1009 I CB -0.168 37.872 38.000 0.065 0.000 1.078 1009 I HN 0.111 nan 8.210 nan 0.000 0.417 1010 D N 0.127 120.550 120.400 0.039 0.000 2.149 1010 D HA -0.166 4.468 4.640 -0.009 0.000 0.201 1010 D C 2.021 178.356 176.300 0.059 0.000 0.972 1010 D CA 1.155 55.209 54.000 0.090 0.000 0.835 1010 D CB 0.055 40.950 40.800 0.159 0.000 0.966 1010 D HN 0.266 nan 8.370 nan 0.000 0.476 1011 E N 0.018 120.230 120.200 0.020 0.000 2.290 1011 E HA 0.237 4.582 4.350 -0.009 0.000 0.197 1011 E C 0.328 176.934 176.600 0.011 0.000 0.948 1011 E CA 0.790 57.224 56.400 0.056 0.000 0.895 1011 E CB 0.555 30.323 29.700 0.112 0.000 0.865 1011 E HN 0.134 nan 8.360 nan 0.000 0.486 1012 G N 0.473 109.238 108.800 -0.057 0.000 2.895 1012 G HA2 -0.185 3.769 3.960 -0.009 0.000 0.686 1012 G HA3 -0.185 3.769 3.960 -0.009 0.000 0.686 1012 G C -1.101 173.754 174.900 -0.074 0.000 1.108 1012 G CA -0.182 44.867 45.100 -0.084 0.000 0.761 1012 G HN 0.283 nan 8.290 nan 0.000 0.611 1013 L N 2.449 123.614 121.223 -0.097 0.000 2.272 1013 L HA 0.724 5.059 4.340 -0.009 0.000 0.289 1013 L C 0.675 177.529 176.870 -0.026 0.000 1.032 1013 L CA -0.951 53.862 54.840 -0.045 0.000 0.810 1013 L CB 0.540 42.554 42.059 -0.075 0.000 1.205 1013 L HN 0.642 nan 8.230 nan 0.000 0.422 1014 R N 5.605 126.122 120.500 0.029 0.000 2.387 1014 R HA 0.335 4.670 4.340 -0.009 0.000 0.314 1014 R C 0.388 176.753 176.300 0.108 0.000 0.958 1014 R CA -0.615 55.497 56.100 0.021 0.000 0.846 1014 R CB 1.814 32.055 30.300 -0.099 0.000 1.147 1014 R HN 0.757 nan 8.270 nan 0.000 0.447 1015 L N 1.518 122.785 121.223 0.073 0.000 2.375 1015 L HA 0.096 4.431 4.340 -0.009 0.000 0.215 1015 L C 0.404 177.332 176.870 0.098 0.000 1.108 1015 L CA 1.077 55.964 54.840 0.078 0.000 0.830 1015 L CB -0.088 41.999 42.059 0.047 0.000 0.959 1015 L HN 0.335 nan 8.230 nan 0.000 0.457 1016 K N 0.645 121.116 120.400 0.118 0.000 2.207 1016 K HA 0.450 4.765 4.320 -0.009 0.000 0.255 1016 K C -0.292 176.449 176.600 0.236 0.000 0.941 1016 K CA -0.847 55.523 56.287 0.137 0.000 0.825 1016 K CB 2.594 35.157 32.500 0.105 0.000 1.119 1016 K HN -0.097 nan 8.250 nan 0.000 0.430 1017 I N 3.478 124.168 120.570 0.200 0.000 2.919 1017 I HA -0.159 4.006 4.170 -0.009 0.000 0.303 1017 I C -0.200 176.111 176.117 0.324 0.000 1.221 1017 I CA 0.722 62.156 61.300 0.225 0.000 1.444 1017 I CB -0.285 37.805 38.000 0.151 0.000 1.331 1017 I HN 0.590 nan 8.210 nan 0.000 0.572 1018 Y N 3.952 124.353 120.300 0.169 0.000 2.625 1018 Y HA 0.563 5.108 4.550 -0.009 0.000 0.338 1018 Y C -1.172 174.783 175.900 0.093 0.000 1.123 1018 Y CA -1.550 56.623 58.100 0.123 0.000 1.046 1018 Y CB 0.913 39.421 38.460 0.080 0.000 1.299 1018 Y HN 0.260 nan 8.280 nan 0.000 0.464 1019 K N 3.026 123.457 120.400 0.051 0.000 2.258 1019 K HA 0.150 4.465 4.320 -0.009 0.000 0.284 1019 K C -0.646 175.962 176.600 0.014 0.000 1.051 1019 K CA -0.661 55.541 56.287 -0.142 0.000 0.923 1019 K CB 0.735 33.119 32.500 -0.192 0.000 1.046 1019 K HN 0.822 nan 8.250 nan 0.000 0.474 1020 D N 1.329 121.686 120.400 -0.072 0.000 2.356 1020 D HA -0.090 4.545 4.640 -0.009 0.000 0.258 1020 D C 1.181 177.504 176.300 0.038 0.000 1.279 1020 D CA -0.062 53.986 54.000 0.079 0.000 1.016 1020 D CB 0.035 40.875 40.800 0.068 0.000 1.107 1020 D HN 0.550 nan 8.370 nan 0.000 0.544 1021 T N -2.707 111.884 114.554 0.062 0.000 2.803 1021 T HA -0.167 4.178 4.350 -0.009 0.000 0.269 1021 T C 1.101 175.766 174.700 -0.059 0.000 1.052 1021 T CA 1.028 63.139 62.100 0.019 0.000 1.136 1021 T CB -0.324 68.573 68.868 0.049 0.000 0.864 1021 T HN 0.440 nan 8.240 nan 0.000 0.467 1022 E N 1.213 121.350 120.200 -0.106 0.000 2.476 1022 E HA 0.247 4.592 4.350 -0.009 0.000 0.191 1022 E C 1.675 177.928 176.600 -0.577 0.000 1.064 1022 E CA 0.537 56.763 56.400 -0.290 0.000 0.866 1022 E CB -0.260 29.297 29.700 -0.239 0.000 0.952 1022 E HN 0.770 nan 8.360 nan 0.000 0.492 1023 G N 1.041 109.608 108.800 -0.388 0.000 2.159 1023 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.256 1023 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.256 1023 G C -0.208 174.418 174.900 -0.456 0.000 0.977 1023 G CA 0.041 44.902 45.100 -0.398 0.000 0.652 1023 G HN 0.196 nan 8.290 nan 0.000 0.531 1024 Y N -0.014 120.167 120.300 -0.198 0.000 2.299 1024 Y HA 0.578 5.122 4.550 -0.009 0.000 0.326 1024 Y C 0.917 176.654 175.900 -0.271 0.000 1.164 1024 Y CA -1.502 56.473 58.100 -0.208 0.000 1.234 1024 Y CB 0.421 38.822 38.460 -0.099 0.000 1.219 1024 Y HN 0.187 nan 8.280 nan 0.000 0.497 1025 Y N 1.807 122.156 120.300 0.081 0.000 2.605 1025 Y HA 0.214 4.759 4.550 -0.009 0.000 0.336 1025 Y C 0.598 176.429 175.900 -0.115 0.000 1.111 1025 Y CA 0.449 58.525 58.100 -0.041 0.000 1.422 1025 Y CB 0.168 38.627 38.460 -0.002 0.000 1.193 1025 Y HN 0.507 nan 8.280 nan 0.000 0.526 1026 T N 5.070 119.504 114.554 -0.200 0.000 2.906 1026 T HA 0.702 5.046 4.350 -0.009 0.000 0.295 1026 T C -1.143 173.363 174.700 -0.323 0.000 1.075 1026 T CA -0.753 61.153 62.100 -0.325 0.000 1.005 1026 T CB 1.999 70.528 68.868 -0.565 0.000 1.136 1026 T HN 0.523 nan 8.240 nan 0.000 0.498 1027 I N 0.042 120.636 120.570 0.041 0.000 2.918 1027 I HA 0.560 4.724 4.170 -0.009 0.000 0.301 1027 I C 0.433 176.751 176.117 0.335 0.000 1.312 1027 I CA 0.192 61.644 61.300 0.253 0.000 1.007 1027 I CB 1.599 39.701 38.000 0.169 0.000 1.281 1027 I HN 0.919 nan 8.210 nan 0.000 0.440 1028 G N 5.478 114.475 108.800 0.328 0.000 2.527 1028 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.268 1028 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.268 1028 G C -0.124 174.956 174.900 0.299 0.000 1.175 1028 G CA 0.118 45.377 45.100 0.266 0.000 0.962 1028 G HN 0.724 nan 8.290 nan 0.000 0.560 1029 I N 2.983 123.740 120.570 0.311 0.000 2.213 1029 I HA 0.410 4.574 4.170 -0.009 0.000 0.295 1029 I C 1.605 177.995 176.117 0.455 0.000 1.172 1029 I CA 0.963 62.446 61.300 0.305 0.000 1.443 1029 I CB -0.222 37.904 38.000 0.210 0.000 1.491 1029 I HN 1.689 nan 8.210 nan 0.000 0.652 1030 G N 3.253 112.305 108.800 0.419 0.000 2.341 1030 G HA2 -0.347 3.607 3.960 -0.009 0.000 0.292 1030 G HA3 -0.347 3.607 3.960 -0.009 0.000 0.292 1030 G C 0.191 175.263 174.900 0.286 0.000 1.021 1030 G CA 0.169 45.495 45.100 0.376 0.000 0.905 1030 G HN 0.783 nan 8.290 nan 0.000 0.508 1031 H N -0.766 118.432 119.070 0.215 0.000 2.742 1031 H HA 0.512 5.062 4.556 -0.009 0.000 0.302 1031 H C 0.482 175.837 175.328 0.045 0.000 1.069 1031 H CA -0.867 55.257 56.048 0.126 0.000 1.446 1031 H CB 0.679 30.529 29.762 0.147 0.000 1.462 1031 H HN 0.277 nan 8.280 nan 0.000 0.499 1032 L N 6.146 127.203 121.223 -0.276 0.000 2.319 1032 L HA 0.123 4.458 4.340 -0.009 0.000 0.280 1032 L C -0.084 176.727 176.870 -0.099 0.000 1.099 1032 L CA 0.261 55.006 54.840 -0.159 0.000 0.828 1032 L CB 0.511 42.449 42.059 -0.202 0.000 1.150 1032 L HN 0.864 nan 8.230 nan 0.000 0.442 1033 L N 2.707 123.962 121.223 0.053 0.000 2.145 1033 L HA 0.231 4.566 4.340 -0.009 0.000 0.201 1033 L C 0.771 177.660 176.870 0.031 0.000 1.075 1033 L CA 0.769 55.669 54.840 0.101 0.000 0.773 1033 L CB -0.066 42.063 42.059 0.117 0.000 0.936 1033 L HN 0.765 nan 8.230 nan 0.000 0.451 1034 T N -2.087 112.482 114.554 0.024 0.000 2.827 1034 T HA 0.191 4.536 4.350 -0.009 0.000 0.328 1034 T C -0.422 174.263 174.700 -0.026 0.000 1.598 1034 T CA -0.665 61.430 62.100 -0.008 0.000 1.043 1034 T CB 1.521 70.410 68.868 0.035 0.000 1.447 1034 T HN -0.019 nan 8.240 nan 0.000 0.491 1035 K N 0.992 121.320 120.400 -0.121 0.000 2.404 1035 K HA 0.198 4.513 4.320 -0.009 0.000 0.194 1035 K C 0.938 177.645 176.600 0.178 0.000 1.023 1035 K CA -0.086 56.097 56.287 -0.174 0.000 1.094 1035 K CB 0.282 32.522 32.500 -0.434 0.000 0.841 1035 K HN 0.450 nan 8.250 nan 0.000 0.523 1036 S N 2.033 117.820 115.700 0.146 0.000 2.572 1036 S HA 0.067 4.532 4.470 -0.009 0.000 0.279 1036 S C -1.488 173.276 174.600 0.272 0.000 1.341 1036 S CA -1.282 57.017 58.200 0.165 0.000 1.043 1036 S CB 0.693 63.954 63.200 0.103 0.000 0.887 1036 S HN 0.051 nan 8.310 nan 0.000 0.516 1037 P HA 0.080 nan 4.420 nan 0.000 0.245 1037 P C 0.150 177.645 177.300 0.325 0.000 1.206 1037 P CA 0.075 63.334 63.100 0.264 0.000 0.781 1037 P CB -0.008 31.773 31.700 0.135 0.000 0.994 1038 S N 0.451 116.258 115.700 0.178 0.000 2.481 1038 S HA 0.140 4.605 4.470 -0.009 0.000 0.276 1038 S C 1.120 175.627 174.600 -0.155 0.000 1.247 1038 S CA -0.711 57.516 58.200 0.045 0.000 1.053 1038 S CB 0.023 63.229 63.200 0.009 0.000 0.925 1038 S HN -0.111 nan 8.310 nan 0.000 0.491 1039 L N 6.161 127.211 121.223 -0.290 0.000 2.027 1039 L HA 0.022 4.357 4.340 -0.009 0.000 0.206 1039 L C 1.914 178.557 176.870 -0.378 0.000 1.074 1039 L CA 1.837 56.280 54.840 -0.662 0.000 0.745 1039 L CB -0.976 40.866 42.059 -0.361 0.000 0.898 1039 L HN 0.682 nan 8.230 nan 0.000 0.433 1040 N N 0.347 118.933 118.700 -0.189 0.000 2.258 1040 N HA -0.180 4.555 4.740 -0.009 0.000 0.187 1040 N C 1.777 177.224 175.510 -0.104 0.000 1.012 1040 N CA 1.456 54.437 53.050 -0.116 0.000 0.870 1040 N CB -0.417 38.031 38.487 -0.065 0.000 0.977 1040 N HN 0.568 nan 8.380 nan 0.000 0.434 1041 A N 0.743 123.498 122.820 -0.108 0.000 1.929 1041 A HA 0.132 4.447 4.320 -0.009 0.000 0.216 1041 A C 2.380 179.916 177.584 -0.080 0.000 1.176 1041 A CA 1.575 53.570 52.037 -0.069 0.000 0.628 1041 A CB -0.627 18.353 19.000 -0.033 0.000 0.816 1041 A HN 0.302 nan 8.150 nan 0.000 0.444 1042 A N 0.172 122.896 122.820 -0.160 0.000 1.858 1042 A HA -0.158 4.157 4.320 -0.009 0.000 0.216 1042 A C 2.092 179.624 177.584 -0.087 0.000 1.190 1042 A CA 1.820 53.779 52.037 -0.129 0.000 0.617 1042 A CB -0.509 18.322 19.000 -0.282 0.000 0.827 1042 A HN 0.509 nan 8.150 nan 0.000 0.443 1043 K N -0.327 120.001 120.400 -0.119 0.000 2.074 1043 K HA -0.164 4.150 4.320 -0.009 0.000 0.209 1043 K C 2.467 179.042 176.600 -0.042 0.000 1.048 1043 K CA 1.554 57.799 56.287 -0.069 0.000 0.926 1043 K CB -0.283 32.172 32.500 -0.075 0.000 0.713 1043 K HN 0.454 nan 8.250 nan 0.000 0.444 1044 S N 0.823 116.497 115.700 -0.044 0.000 2.359 1044 S HA -0.169 4.295 4.470 -0.009 0.000 0.224 1044 S C 1.824 176.415 174.600 -0.016 0.000 1.035 1044 S CA 1.281 59.465 58.200 -0.027 0.000 1.018 1044 S CB -0.111 63.073 63.200 -0.026 0.000 0.876 1044 S HN 0.211 nan 8.310 nan 0.000 0.448 1045 E N 0.742 120.935 120.200 -0.012 0.000 2.106 1045 E HA -0.095 4.249 4.350 -0.009 0.000 0.192 1045 E C 2.074 178.681 176.600 0.012 0.000 0.984 1045 E CA 0.719 57.123 56.400 0.007 0.000 0.806 1045 E CB -0.597 29.116 29.700 0.021 0.000 0.750 1045 E HN 0.463 nan 8.360 nan 0.000 0.458 1046 L N 1.974 123.199 121.223 0.004 0.000 1.994 1046 L HA -0.174 4.161 4.340 -0.009 0.000 0.208 1046 L C 1.545 178.407 176.870 -0.012 0.000 1.071 1046 L CA 1.958 56.797 54.840 -0.003 0.000 0.745 1046 L CB -0.575 41.483 42.059 -0.001 0.000 0.892 1046 L HN -0.096 nan 8.230 nan 0.000 0.431 1047 D N -0.289 120.105 120.400 -0.011 0.000 2.123 1047 D HA -0.253 4.382 4.640 -0.009 0.000 0.196 1047 D C 2.157 178.451 176.300 -0.010 0.000 0.992 1047 D CA 1.562 55.556 54.000 -0.011 0.000 0.833 1047 D CB -0.155 40.638 40.800 -0.011 0.000 0.954 1047 D HN 0.364 nan 8.370 nan 0.000 0.455 1048 K N 0.288 120.683 120.400 -0.007 0.000 2.147 1048 K HA -0.055 4.260 4.320 -0.009 0.000 0.205 1048 K C 1.882 178.479 176.600 -0.005 0.000 1.049 1048 K CA 1.158 57.443 56.287 -0.005 0.000 0.936 1048 K CB 0.040 32.539 32.500 -0.002 0.000 0.722 1048 K HN 0.068 nan 8.250 nan 0.000 0.446 1049 A N 0.897 123.712 122.820 -0.008 0.000 1.874 1049 A HA -0.045 4.270 4.320 -0.009 0.000 0.214 1049 A C 1.959 179.524 177.584 -0.032 0.000 1.189 1049 A CA 0.903 52.928 52.037 -0.020 0.000 0.615 1049 A CB -0.281 18.694 19.000 -0.042 0.000 0.830 1049 A HN 0.215 nan 8.150 nan 0.000 0.443 1050 I N -1.096 119.454 120.570 -0.033 0.000 2.333 1050 I HA 0.037 4.202 4.170 -0.009 0.000 0.246 1050 I C 1.788 177.896 176.117 -0.016 0.000 1.106 1050 I CA 1.748 63.031 61.300 -0.027 0.000 1.411 1050 I CB -1.491 36.495 38.000 -0.023 0.000 1.082 1050 I HN 0.573 nan 8.210 nan 0.000 0.420 1051 G N 2.376 111.169 108.800 -0.012 0.000 2.173 1051 G HA2 -0.195 3.760 3.960 -0.009 0.000 0.174 1051 G HA3 -0.195 3.760 3.960 -0.009 0.000 0.174 1051 G C 0.242 175.138 174.900 -0.007 0.000 1.025 1051 G CA 0.195 45.290 45.100 -0.008 0.000 0.706 1051 G HN 0.625 nan 8.290 nan 0.000 0.499 1052 R N -1.914 118.582 120.500 -0.007 0.000 2.752 1052 R HA 0.371 4.706 4.340 -0.009 0.000 0.277 1052 R C -0.992 175.305 176.300 -0.006 0.000 1.024 1052 R CA -0.994 55.103 56.100 -0.005 0.000 0.866 1052 R CB 0.137 30.435 30.300 -0.004 0.000 1.278 1052 R HN 0.060 nan 8.270 nan 0.000 0.473 1053 N N 0.538 119.236 118.700 -0.005 0.000 2.399 1053 N HA 0.029 4.763 4.740 -0.009 0.000 0.259 1053 N C 0.331 175.839 175.510 -0.003 0.000 1.160 1053 N CA 0.315 53.362 53.050 -0.005 0.000 0.946 1053 N CB 1.213 39.697 38.487 -0.005 0.000 1.156 1053 N HN 0.658 nan 8.380 nan 0.000 0.489 1054 T N -0.634 113.919 114.554 -0.003 0.000 3.010 1054 T HA -0.023 4.321 4.350 -0.009 0.000 0.252 1054 T C 1.030 175.732 174.700 0.004 0.000 1.047 1054 T CA 0.057 62.158 62.100 0.002 0.000 1.140 1054 T CB 0.031 68.901 68.868 0.004 0.000 0.885 1054 T HN 0.533 nan 8.240 nan 0.000 0.464 1055 N N 1.102 119.801 118.700 -0.002 0.000 2.747 1055 N HA -0.170 4.564 4.740 -0.009 0.000 0.249 1055 N C 0.999 176.512 175.510 0.005 0.000 1.107 1055 N CA 1.481 54.530 53.050 -0.002 0.000 0.707 1055 N CB -1.552 36.936 38.487 0.001 0.000 1.054 1055 N HN 1.156 nan 8.380 nan 0.000 0.555 1056 G N -3.191 105.613 108.800 0.007 0.000 2.217 1056 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.246 1056 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.246 1056 G C -0.055 174.871 174.900 0.044 0.000 0.990 1056 G CA 0.310 45.424 45.100 0.024 0.000 0.627 1056 G HN 0.860 nan 8.290 nan 0.000 0.522 1057 V N 2.616 122.550 119.914 0.034 0.000 2.459 1057 V HA 0.748 4.863 4.120 -0.009 0.000 0.295 1057 V C 0.574 176.688 176.094 0.033 0.000 1.029 1057 V CA -0.294 62.030 62.300 0.040 0.000 0.874 1057 V CB 1.486 33.328 31.823 0.032 0.000 0.985 1057 V HN 0.723 nan 8.190 nan 0.000 0.438 1058 I N 1.357 121.952 120.570 0.041 0.000 2.892 1058 I HA 0.830 4.995 4.170 -0.009 0.000 0.306 1058 I C 0.362 176.501 176.117 0.037 0.000 1.078 1058 I CA -0.592 60.728 61.300 0.034 0.000 1.032 1058 I CB 2.493 40.514 38.000 0.035 0.000 1.229 1058 I HN 0.634 nan 8.210 nan 0.000 0.435 1059 T N -0.269 114.303 114.554 0.030 0.000 2.828 1059 T HA 0.223 4.567 4.350 -0.009 0.000 0.290 1059 T C 0.871 175.596 174.700 0.042 0.000 1.019 1059 T CA -0.319 61.799 62.100 0.031 0.000 1.031 1059 T CB 1.517 70.399 68.868 0.023 0.000 1.001 1059 T HN 0.946 nan 8.240 nan 0.000 0.531 1060 K N 0.308 120.736 120.400 0.047 0.000 2.063 1060 K HA -0.187 4.128 4.320 -0.009 0.000 0.208 1060 K C 1.434 178.073 176.600 0.066 0.000 1.048 1060 K CA 1.917 58.248 56.287 0.073 0.000 0.928 1060 K CB -0.327 32.218 32.500 0.074 0.000 0.713 1060 K HN 0.623 nan 8.250 nan 0.000 0.442 1061 D N 0.761 121.175 120.400 0.023 0.000 2.144 1061 D HA -0.133 4.502 4.640 -0.009 0.000 0.200 1061 D C 1.723 178.010 176.300 -0.021 0.000 0.978 1061 D CA 1.136 55.120 54.000 -0.026 0.000 0.833 1061 D CB -0.040 40.747 40.800 -0.022 0.000 0.961 1061 D HN 0.422 nan 8.370 nan 0.000 0.470 1062 E N 0.762 120.966 120.200 0.006 0.000 2.072 1062 E HA -0.099 4.246 4.350 -0.009 0.000 0.191 1062 E C 2.143 178.762 176.600 0.033 0.000 0.985 1062 E CA 0.878 57.283 56.400 0.009 0.000 0.801 1062 E CB -0.030 29.676 29.700 0.009 0.000 0.750 1062 E HN 0.171 nan 8.360 nan 0.000 0.452 1063 A N 1.535 124.396 122.820 0.069 0.000 1.908 1063 A HA -0.302 4.013 4.320 -0.009 0.000 0.218 1063 A C 2.081 179.781 177.584 0.193 0.000 1.181 1063 A CA 1.867 53.984 52.037 0.134 0.000 0.627 1063 A CB -0.542 18.554 19.000 0.160 0.000 0.818 1063 A HN 0.305 nan 8.150 nan 0.000 0.445 1064 E N -0.318 119.948 120.200 0.110 0.000 2.110 1064 E HA -0.223 4.122 4.350 -0.009 0.000 0.193 1064 E C 1.792 178.423 176.600 0.053 0.000 0.988 1064 E CA 1.251 57.630 56.400 -0.034 0.000 0.804 1064 E CB -0.024 29.346 29.700 -0.550 0.000 0.745 1064 E HN 0.414 nan 8.360 nan 0.000 0.458 1065 K N 0.521 120.932 120.400 0.019 0.000 2.002 1065 K HA -0.143 4.172 4.320 -0.009 0.000 0.209 1065 K C 2.339 178.979 176.600 0.066 0.000 1.048 1065 K CA 0.967 57.268 56.287 0.023 0.000 0.930 1065 K CB -0.574 31.923 32.500 -0.004 0.000 0.714 1065 K HN 0.282 nan 8.250 nan 0.000 0.438 1066 L N 0.006 121.269 121.223 0.068 0.000 2.079 1066 L HA -0.182 4.153 4.340 -0.009 0.000 0.210 1066 L C 2.481 179.486 176.870 0.224 0.000 1.081 1066 L CA 1.084 55.957 54.840 0.054 0.000 0.752 1066 L CB -0.426 41.572 42.059 -0.102 0.000 0.896 1066 L HN 0.040 nan 8.230 nan 0.000 0.433 1067 F N 1.181 121.233 119.950 0.170 0.000 2.146 1067 F HA -0.182 4.340 4.527 -0.009 0.000 0.298 1067 F C 2.362 178.304 175.800 0.237 0.000 1.096 1067 F CA 1.470 59.636 58.000 0.277 0.000 1.275 1067 F CB -0.255 38.921 39.000 0.293 0.000 1.008 1067 F HN 0.118 nan 8.300 nan 0.000 0.480 1068 N N 0.545 119.312 118.700 0.112 0.000 2.223 1068 N HA -0.176 4.559 4.740 -0.009 0.000 0.185 1068 N C 1.733 177.219 175.510 -0.040 0.000 1.016 1068 N CA 1.449 54.487 53.050 -0.019 0.000 0.863 1068 N CB -0.531 37.981 38.487 0.042 0.000 0.983 1068 N HN 0.549 nan 8.380 nan 0.000 0.429 1069 Q N 0.432 120.240 119.800 0.013 0.000 2.083 1069 Q HA -0.076 4.259 4.340 -0.009 0.000 0.198 1069 Q C 1.067 177.070 176.000 0.004 0.000 0.969 1069 Q CA 0.958 56.771 55.803 0.017 0.000 0.838 1069 Q CB 0.032 28.798 28.738 0.047 0.000 0.900 1069 Q HN 0.316 nan 8.270 nan 0.000 0.436 1070 D N 0.197 120.615 120.400 0.030 0.000 2.117 1070 D HA -0.131 4.504 4.640 -0.009 0.000 0.197 1070 D C 2.019 178.285 176.300 -0.057 0.000 0.987 1070 D CA 0.906 54.889 54.000 -0.028 0.000 0.829 1070 D CB -0.234 40.592 40.800 0.043 0.000 0.961 1070 D HN 0.029 nan 8.370 nan 0.000 0.460 1071 V N 1.178 121.057 119.914 -0.059 0.000 2.287 1071 V HA -0.291 3.823 4.120 -0.009 0.000 0.248 1071 V C 2.192 178.278 176.094 -0.013 0.000 1.053 1071 V CA 2.147 64.435 62.300 -0.020 0.000 1.027 1071 V CB -0.561 31.132 31.823 -0.217 0.000 0.646 1071 V HN 0.147 nan 8.190 nan 0.000 0.447 1072 D N 0.031 120.411 120.400 -0.034 0.000 2.116 1072 D HA -0.212 4.423 4.640 -0.009 0.000 0.193 1072 D C 2.104 178.381 176.300 -0.039 0.000 0.998 1072 D CA 1.768 55.755 54.000 -0.022 0.000 0.836 1072 D CB -0.217 40.573 40.800 -0.016 0.000 0.951 1072 D HN 0.395 nan 8.370 nan 0.000 0.449 1073 A N 0.410 123.198 122.820 -0.054 0.000 1.908 1073 A HA -0.032 4.283 4.320 -0.009 0.000 0.218 1073 A C 2.402 179.927 177.584 -0.097 0.000 1.181 1073 A CA 2.428 54.419 52.037 -0.077 0.000 0.627 1073 A CB -1.229 17.714 19.000 -0.096 0.000 0.818 1073 A HN 0.377 nan 8.150 nan 0.000 0.445 1074 A N -0.606 122.155 122.820 -0.099 0.000 1.877 1074 A HA -0.031 4.284 4.320 -0.009 0.000 0.216 1074 A C 2.246 179.768 177.584 -0.104 0.000 1.186 1074 A CA 1.875 53.858 52.037 -0.091 0.000 0.620 1074 A CB -1.079 17.915 19.000 -0.010 0.000 0.822 1074 A HN 0.430 nan 8.150 nan 0.000 0.443 1075 V N 0.109 119.961 119.914 -0.103 0.000 2.332 1075 V HA -0.307 3.807 4.120 -0.009 0.000 0.248 1075 V C 2.668 178.629 176.094 -0.222 0.000 1.055 1075 V CA 2.378 64.546 62.300 -0.220 0.000 1.038 1075 V CB -0.855 30.901 31.823 -0.111 0.000 0.651 1075 V HN 0.533 nan 8.190 nan 0.000 0.450 1076 R N -0.031 120.393 120.500 -0.127 0.000 2.096 1076 R HA -0.106 4.229 4.340 -0.009 0.000 0.235 1076 R C 2.476 178.713 176.300 -0.106 0.000 1.127 1076 R CA 1.449 57.489 56.100 -0.100 0.000 0.968 1076 R CB -0.818 29.442 30.300 -0.067 0.000 0.861 1076 R HN 0.604 nan 8.270 nan 0.000 0.440 1077 G N 1.260 109.994 108.800 -0.109 0.000 2.421 1077 G HA2 -0.231 3.724 3.960 -0.009 0.000 0.216 1077 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.216 1077 G C 1.459 176.295 174.900 -0.107 0.000 1.171 1077 G CA 0.559 45.600 45.100 -0.097 0.000 0.775 1077 G HN 0.144 nan 8.290 nan 0.000 0.543 1078 I N 0.522 121.000 120.570 -0.153 0.000 2.151 1078 I HA -0.199 3.966 4.170 -0.009 0.000 0.243 1078 I C 2.651 178.673 176.117 -0.159 0.000 1.080 1078 I CA 0.973 62.166 61.300 -0.178 0.000 1.339 1078 I CB -0.171 37.620 38.000 -0.350 0.000 1.039 1078 I HN 0.121 nan 8.210 nan 0.000 0.409 1079 L N -0.147 120.959 121.223 -0.195 0.000 2.362 1079 L HA -0.143 4.192 4.340 -0.009 0.000 0.219 1079 L C 2.454 179.291 176.870 -0.056 0.000 1.134 1079 L CA 0.942 55.717 54.840 -0.109 0.000 0.807 1079 L CB -0.470 41.529 42.059 -0.100 0.000 0.927 1079 L HN 0.203 nan 8.230 nan 0.000 0.447 1080 R N -0.642 119.822 120.500 -0.060 0.000 2.246 1080 R HA 0.033 4.368 4.340 -0.009 0.000 0.199 1080 R C 0.781 177.063 176.300 -0.031 0.000 0.984 1080 R CA -0.066 56.010 56.100 -0.040 0.000 1.015 1080 R CB 0.027 30.301 30.300 -0.043 0.000 0.930 1080 R HN 0.213 nan 8.270 nan 0.000 0.475 1081 N N 0.965 119.644 118.700 -0.034 0.000 2.406 1081 N HA 0.059 4.794 4.740 -0.009 0.000 0.251 1081 N C 0.541 176.047 175.510 -0.007 0.000 1.069 1081 N CA 0.065 53.102 53.050 -0.021 0.000 0.947 1081 N CB 1.597 40.070 38.487 -0.022 0.000 1.111 1081 N HN 0.057 nan 8.380 nan 0.000 0.497 1082 A N 4.861 127.679 122.820 -0.003 0.000 1.986 1082 A HA -0.188 4.127 4.320 -0.009 0.000 0.220 1082 A C 1.850 179.442 177.584 0.013 0.000 1.171 1082 A CA 1.518 53.557 52.037 0.004 0.000 0.640 1082 A CB -0.076 18.924 19.000 0.001 0.000 0.811 1082 A HN 0.782 nan 8.150 nan 0.000 0.451 1083 K N -0.917 119.491 120.400 0.013 0.000 2.262 1083 K HA 0.246 4.561 4.320 -0.009 0.000 0.200 1083 K C 1.553 178.176 176.600 0.038 0.000 1.049 1083 K CA 0.681 56.981 56.287 0.022 0.000 0.979 1083 K CB -0.061 32.450 32.500 0.018 0.000 0.773 1083 K HN 0.454 nan 8.250 nan 0.000 0.474 1084 L N 0.861 122.107 121.223 0.039 0.000 2.298 1084 L HA 0.054 4.388 4.340 -0.009 0.000 0.209 1084 L C 2.486 179.410 176.870 0.091 0.000 1.084 1084 L CA 0.422 55.301 54.840 0.066 0.000 0.816 1084 L CB -0.234 41.854 42.059 0.048 0.000 0.967 1084 L HN 0.089 nan 8.230 nan 0.000 0.460 1085 K N 1.148 121.583 120.400 0.059 0.000 2.020 1085 K HA -0.193 4.122 4.320 -0.009 0.000 0.212 1085 K C -0.547 176.125 176.600 0.121 0.000 1.050 1085 K CA 1.886 58.221 56.287 0.080 0.000 0.929 1085 K CB -0.785 31.740 32.500 0.041 0.000 0.714 1085 K HN 0.142 nan 8.250 nan 0.000 0.443 1086 P HA -0.125 nan 4.420 nan 0.000 0.218 1086 P C 1.397 178.749 177.300 0.087 0.000 1.149 1086 P CA 0.975 64.119 63.100 0.072 0.000 0.817 1086 P CB 0.050 31.776 31.700 0.044 0.000 0.785 1087 V N -1.211 118.764 119.914 0.102 0.000 2.244 1087 V HA -0.259 3.856 4.120 -0.009 0.000 0.244 1087 V C 2.361 178.544 176.094 0.149 0.000 1.042 1087 V CA 1.701 64.063 62.300 0.104 0.000 1.006 1087 V CB -1.576 30.305 31.823 0.096 0.000 0.641 1087 V HN -0.006 nan 8.190 nan 0.000 0.446 1088 Y N 1.603 121.943 120.300 0.067 0.000 2.081 1088 Y HA -0.321 4.224 4.550 -0.009 0.000 0.280 1088 Y C 2.421 178.363 175.900 0.070 0.000 1.163 1088 Y CA 2.248 60.395 58.100 0.079 0.000 1.135 1088 Y CB -0.479 38.021 38.460 0.067 0.000 0.970 1088 Y HN 0.311 nan 8.280 nan 0.000 0.498 1089 D N -0.692 119.838 120.400 0.217 0.000 2.172 1089 D HA -0.206 4.428 4.640 -0.009 0.000 0.196 1089 D C 2.405 178.720 176.300 0.025 0.000 0.999 1089 D CA 1.830 55.897 54.000 0.111 0.000 0.856 1089 D CB -0.472 40.396 40.800 0.115 0.000 0.934 1089 D HN 0.517 nan 8.370 nan 0.000 0.453 1090 S N -0.835 114.885 115.700 0.034 0.000 2.470 1090 S HA 0.033 4.498 4.470 -0.009 0.000 0.225 1090 S C 1.045 175.669 174.600 0.041 0.000 1.006 1090 S CA -0.189 58.031 58.200 0.033 0.000 0.934 1090 S CB -0.102 63.122 63.200 0.039 0.000 0.778 1090 S HN 0.101 nan 8.310 nan 0.000 0.517 1091 L N 2.878 124.108 121.223 0.012 0.000 2.436 1091 L HA 0.346 4.681 4.340 -0.009 0.000 0.265 1091 L C 0.276 177.114 176.870 -0.053 0.000 1.168 1091 L CA -0.724 54.136 54.840 0.034 0.000 0.815 1091 L CB 0.430 42.510 42.059 0.034 0.000 1.109 1091 L HN 0.387 nan 8.230 nan 0.000 0.462 1092 D N 0.929 121.315 120.400 -0.023 0.000 2.371 1092 D HA 0.226 4.861 4.640 -0.009 0.000 0.242 1092 D C 0.959 177.189 176.300 -0.118 0.000 1.218 1092 D CA 0.002 53.962 54.000 -0.066 0.000 0.945 1092 D CB 0.897 41.657 40.800 -0.065 0.000 1.137 1092 D HN 0.545 nan 8.370 nan 0.000 0.464 1093 A N 0.593 123.356 122.820 -0.095 0.000 1.892 1093 A HA -0.196 4.119 4.320 -0.009 0.000 0.218 1093 A C 2.202 179.728 177.584 -0.097 0.000 1.188 1093 A CA 1.936 53.932 52.037 -0.069 0.000 0.631 1093 A CB -1.197 17.803 19.000 0.000 0.000 0.822 1093 A HN 0.460 nan 8.150 nan 0.000 0.447 1094 V N -0.153 119.637 119.914 -0.207 0.000 2.343 1094 V HA -0.257 3.857 4.120 -0.009 0.000 0.247 1094 V C 2.631 178.452 176.094 -0.454 0.000 1.051 1094 V CA 2.260 64.269 62.300 -0.485 0.000 1.036 1094 V CB -0.812 30.556 31.823 -0.759 0.000 0.654 1094 V HN 0.535 nan 8.190 nan 0.000 0.451 1095 R N -0.392 119.915 120.500 -0.322 0.000 2.115 1095 R HA -0.038 4.296 4.340 -0.009 0.000 0.226 1095 R C 2.516 178.778 176.300 -0.064 0.000 1.100 1095 R CA 0.898 56.864 56.100 -0.222 0.000 0.980 1095 R CB -0.304 29.961 30.300 -0.057 0.000 0.875 1095 R HN 0.469 nan 8.270 nan 0.000 0.445 1096 R N 0.607 121.056 120.500 -0.086 0.000 2.091 1096 R HA -0.120 4.215 4.340 -0.009 0.000 0.238 1096 R C 2.338 178.692 176.300 0.089 0.000 1.136 1096 R CA 1.561 57.632 56.100 -0.048 0.000 0.959 1096 R CB -0.406 29.730 30.300 -0.275 0.000 0.856 1096 R HN 0.200 nan 8.270 nan 0.000 0.437 1097 A N 1.186 124.021 122.820 0.026 0.000 1.933 1097 A HA -0.140 4.175 4.320 -0.009 0.000 0.218 1097 A C 2.366 179.951 177.584 0.001 0.000 1.175 1097 A CA 1.681 53.770 52.037 0.086 0.000 0.628 1097 A CB -0.639 18.485 19.000 0.207 0.000 0.814 1097 A HN 0.419 nan 8.150 nan 0.000 0.444 1098 A N -0.370 122.336 122.820 -0.190 0.000 1.851 1098 A HA -0.111 4.204 4.320 -0.009 0.000 0.216 1098 A C 2.135 179.674 177.584 -0.075 0.000 1.195 1098 A CA 1.871 53.677 52.037 -0.386 0.000 0.622 1098 A CB -0.792 17.444 19.000 -1.273 0.000 0.831 1098 A HN 0.622 nan 8.150 nan 0.000 0.444 1099 L N -0.056 121.267 121.223 0.166 0.000 2.012 1099 L HA -0.165 4.170 4.340 -0.009 0.000 0.210 1099 L C 2.335 179.345 176.870 0.233 0.000 1.073 1099 L CA 1.885 56.926 54.840 0.335 0.000 0.748 1099 L CB -0.538 41.760 42.059 0.398 0.000 0.891 1099 L HN 0.470 nan 8.230 nan 0.000 0.431 1100 I N -0.412 120.300 120.570 0.237 0.000 2.208 1100 I HA -0.350 3.815 4.170 -0.009 0.000 0.245 1100 I C 2.404 178.685 176.117 0.273 0.000 1.097 1100 I CA 1.514 62.966 61.300 0.254 0.000 1.363 1100 I CB -0.657 37.494 38.000 0.250 0.000 1.051 1100 I HN 0.451 nan 8.210 nan 0.000 0.413 1101 N N 1.409 120.208 118.700 0.165 0.000 2.061 1101 N HA -0.235 4.500 4.740 -0.009 0.000 0.193 1101 N C 1.912 177.541 175.510 0.198 0.000 1.030 1101 N CA 2.051 55.186 53.050 0.143 0.000 0.856 1101 N CB -0.171 38.374 38.487 0.097 0.000 1.023 1101 N HN 0.306 nan 8.380 nan 0.000 0.424 1102 M N -0.248 119.423 119.600 0.118 0.000 2.117 1102 M HA -0.115 4.360 4.480 -0.009 0.000 0.262 1102 M C 2.265 178.592 176.300 0.045 0.000 1.065 1102 M CA 1.011 56.293 55.300 -0.031 0.000 1.114 1102 M CB -0.235 32.248 32.600 -0.195 0.000 1.361 1102 M HN -0.061 nan 8.290 nan 0.000 0.408 1103 V N 0.045 120.032 119.914 0.121 0.000 2.343 1103 V HA -0.259 3.856 4.120 -0.009 0.000 0.247 1103 V C 2.139 178.308 176.094 0.125 0.000 1.051 1103 V CA 1.869 64.231 62.300 0.103 0.000 1.036 1103 V CB -0.763 31.116 31.823 0.094 0.000 0.654 1103 V HN 0.255 nan 8.190 nan 0.000 0.451 1104 F N 0.272 120.251 119.950 0.048 0.000 2.063 1104 F HA -0.299 4.223 4.527 -0.009 0.000 0.298 1104 F C 2.664 178.510 175.800 0.077 0.000 1.109 1104 F CA 2.485 60.529 58.000 0.074 0.000 1.212 1104 F CB -0.452 38.626 39.000 0.130 0.000 0.973 1104 F HN 0.141 nan 8.300 nan 0.000 0.480 1105 Q N -0.702 119.257 119.800 0.266 0.000 2.096 1105 Q HA -0.121 4.214 4.340 -0.009 0.000 0.197 1105 Q C 1.632 177.702 176.000 0.117 0.000 0.964 1105 Q CA 1.435 57.357 55.803 0.198 0.000 0.838 1105 Q CB 0.062 28.930 28.738 0.217 0.000 0.906 1105 Q HN 0.416 nan 8.270 nan 0.000 0.444 1106 M N -1.073 118.563 119.600 0.060 0.000 2.306 1106 M HA 0.312 4.787 4.480 -0.009 0.000 0.292 1106 M C 0.428 176.738 176.300 0.016 0.000 1.018 1106 M CA 0.308 55.630 55.300 0.036 0.000 1.007 1106 M CB 1.859 34.466 32.600 0.011 0.000 1.510 1106 M HN 0.204 nan 8.290 nan 0.000 0.537 1107 G N 1.408 110.212 108.800 0.006 0.000 2.814 1107 G HA2 -0.202 3.753 3.960 -0.009 0.000 0.677 1107 G HA3 -0.202 3.753 3.960 -0.009 0.000 0.677 1107 G C -0.025 174.869 174.900 -0.010 0.000 1.429 1107 G CA -0.240 44.848 45.100 -0.021 0.000 0.868 1107 G HN 0.470 nan 8.290 nan 0.000 0.553 1108 E N -0.437 119.749 120.200 -0.023 0.000 2.077 1108 E HA -0.111 4.234 4.350 -0.009 0.000 0.193 1108 E C 2.762 179.357 176.600 -0.008 0.000 0.989 1108 E CA 1.781 58.174 56.400 -0.012 0.000 0.800 1108 E CB -0.166 29.517 29.700 -0.028 0.000 0.746 1108 E HN 0.579 nan 8.360 nan 0.000 0.452 1109 T N 0.239 114.780 114.554 -0.022 0.000 2.674 1109 T HA -0.150 4.195 4.350 -0.009 0.000 0.265 1109 T C 1.961 176.633 174.700 -0.047 0.000 1.039 1109 T CA 1.289 63.370 62.100 -0.031 0.000 1.150 1109 T CB -0.751 68.096 68.868 -0.034 0.000 0.864 1109 T HN 0.391 nan 8.240 nan 0.000 0.427 1110 G N 1.065 109.839 108.800 -0.043 0.000 2.469 1110 G HA2 -0.212 3.742 3.960 -0.009 0.000 0.219 1110 G HA3 -0.212 3.742 3.960 -0.009 0.000 0.219 1110 G C 1.663 176.512 174.900 -0.086 0.000 1.150 1110 G CA 1.210 46.266 45.100 -0.073 0.000 0.763 1110 G HN 0.468 nan 8.290 nan 0.000 0.561 1111 V N 1.129 121.073 119.914 0.050 0.000 2.591 1111 V HA 0.057 4.172 4.120 -0.009 0.000 0.249 1111 V C 3.197 179.405 176.094 0.190 0.000 1.053 1111 V CA 1.549 63.986 62.300 0.229 0.000 1.068 1111 V CB -0.495 31.415 31.823 0.146 0.000 0.689 1111 V HN 0.464 nan 8.190 nan 0.000 0.462 1112 A N 0.853 123.706 122.820 0.055 0.000 2.070 1112 A HA -0.031 4.284 4.320 -0.009 0.000 0.220 1112 A C 2.273 179.852 177.584 -0.009 0.000 1.159 1112 A CA 1.564 53.620 52.037 0.031 0.000 0.656 1112 A CB -0.856 18.146 19.000 0.003 0.000 0.800 1112 A HN 0.536 nan 8.150 nan 0.000 0.453 1113 G N -1.618 107.116 108.800 -0.109 0.000 2.598 1113 G HA2 0.074 4.028 3.960 -0.009 0.000 0.215 1113 G HA3 0.074 4.028 3.960 -0.009 0.000 0.215 1113 G C 0.355 175.112 174.900 -0.238 0.000 1.131 1113 G CA -0.011 44.970 45.100 -0.198 0.000 0.785 1113 G HN 0.391 nan 8.290 nan 0.000 0.539 1114 F N 2.271 122.219 119.950 -0.004 0.000 2.666 1114 F HA 0.218 4.739 4.527 -0.009 0.000 0.362 1114 F C 1.939 177.735 175.800 -0.007 0.000 1.190 1114 F CA -0.215 57.787 58.000 0.002 0.000 1.328 1114 F CB -0.403 38.594 39.000 -0.006 0.000 1.682 1114 F HN -0.084 nan 8.300 nan 0.000 0.623 1115 T N -0.887 113.725 114.554 0.097 0.000 2.684 1115 T HA -0.222 4.123 4.350 -0.009 0.000 0.267 1115 T C 2.048 176.783 174.700 0.059 0.000 1.036 1115 T CA 1.601 63.737 62.100 0.060 0.000 1.148 1115 T CB -0.058 68.824 68.868 0.025 0.000 0.863 1115 T HN 0.382 nan 8.240 nan 0.000 0.436 1116 N N 1.021 119.760 118.700 0.067 0.000 2.106 1116 N HA -0.008 4.727 4.740 -0.009 0.000 0.188 1116 N C 2.254 177.784 175.510 0.035 0.000 1.029 1116 N CA 0.996 54.072 53.050 0.043 0.000 0.848 1116 N CB -0.469 38.044 38.487 0.044 0.000 1.007 1116 N HN 0.257 nan 8.380 nan 0.000 0.423 1117 S N 1.544 117.284 115.700 0.068 0.000 2.370 1117 S HA -0.002 4.463 4.470 -0.009 0.000 0.226 1117 S C 2.192 176.766 174.600 -0.044 0.000 1.033 1117 S CA 0.673 58.877 58.200 0.006 0.000 1.011 1117 S CB -0.264 62.934 63.200 -0.004 0.000 0.852 1117 S HN 0.230 nan 8.310 nan 0.000 0.457 1118 L N 0.955 122.181 121.223 0.004 0.000 2.046 1118 L HA -0.119 4.215 4.340 -0.009 0.000 0.208 1118 L C 2.757 179.613 176.870 -0.024 0.000 1.077 1118 L CA 1.334 56.167 54.840 -0.012 0.000 0.747 1118 L CB -0.446 41.637 42.059 0.040 0.000 0.896 1118 L HN 0.257 nan 8.230 nan 0.000 0.432 1119 R N 0.189 120.680 120.500 -0.016 0.000 2.073 1119 R HA -0.174 4.160 4.340 -0.009 0.000 0.234 1119 R C 2.328 178.588 176.300 -0.067 0.000 1.134 1119 R CA 1.610 57.691 56.100 -0.031 0.000 0.952 1119 R CB -0.158 30.130 30.300 -0.021 0.000 0.850 1119 R HN 0.292 nan 8.270 nan 0.000 0.433 1120 M N 0.455 120.011 119.600 -0.074 0.000 2.117 1120 M HA -0.172 4.303 4.480 -0.009 0.000 0.262 1120 M C 2.302 178.496 176.300 -0.177 0.000 1.065 1120 M CA 1.544 56.774 55.300 -0.116 0.000 1.114 1120 M CB -0.221 32.329 32.600 -0.084 0.000 1.361 1120 M HN 0.182 nan 8.290 nan 0.000 0.408 1121 L N -0.242 120.905 121.223 -0.127 0.000 2.012 1121 L HA -0.279 4.056 4.340 -0.009 0.000 0.210 1121 L C 2.663 179.461 176.870 -0.121 0.000 1.073 1121 L CA 1.612 56.401 54.840 -0.085 0.000 0.748 1121 L CB -0.789 41.220 42.059 -0.083 0.000 0.891 1121 L HN 0.416 nan 8.230 nan 0.000 0.431 1122 Q N 0.002 119.753 119.800 -0.081 0.000 2.152 1122 Q HA -0.273 4.062 4.340 -0.009 0.000 0.206 1122 Q C 1.955 177.879 176.000 -0.128 0.000 0.985 1122 Q CA 1.687 57.453 55.803 -0.062 0.000 0.863 1122 Q CB 0.045 28.764 28.738 -0.033 0.000 0.904 1122 Q HN 0.566 nan 8.270 nan 0.000 0.422 1123 Q N -0.406 119.280 119.800 -0.190 0.000 2.403 1123 Q HA 0.022 4.357 4.340 -0.009 0.000 0.203 1123 Q C -0.401 175.354 176.000 -0.408 0.000 0.932 1123 Q CA 0.098 55.764 55.803 -0.228 0.000 0.945 1123 Q CB 0.610 29.242 28.738 -0.177 0.000 1.045 1123 Q HN 0.165 nan 8.270 nan 0.000 0.511 1124 K N 0.123 120.097 120.400 -0.709 0.000 3.129 1124 K HA -0.193 4.122 4.320 -0.009 0.000 0.273 1124 K C -0.727 175.058 176.600 -1.359 0.000 1.123 1124 K CA 0.749 56.125 56.287 -1.518 0.000 0.800 1124 K CB -1.678 30.298 32.500 -0.872 0.000 1.238 1124 K HN 0.360 nan 8.250 nan 0.000 0.492 1125 R N 0.165 120.193 120.500 -0.786 0.000 3.570 1125 R HA 0.135 4.469 4.340 -0.009 0.000 0.233 1125 R C 0.950 177.101 176.300 -0.248 0.000 1.492 1125 R CA -0.285 55.563 56.100 -0.419 0.000 1.504 1125 R CB -0.275 29.885 30.300 -0.233 0.000 1.314 1125 R HN 0.274 nan 8.270 nan 0.000 0.687 1126 W N 0.641 121.930 121.300 -0.018 0.000 2.354 1126 W HA -0.162 4.493 4.660 -0.009 0.000 0.315 1126 W C 1.348 177.863 176.519 -0.007 0.000 1.206 1126 W CA 0.315 57.655 57.345 -0.008 0.000 1.290 1126 W CB -0.026 29.444 29.460 0.016 0.000 1.152 1126 W HN 0.346 nan 8.180 nan 0.000 0.489 1127 D N 0.358 120.891 120.400 0.221 0.000 2.123 1127 D HA -0.175 4.459 4.640 -0.009 0.000 0.196 1127 D C 1.784 178.121 176.300 0.062 0.000 0.992 1127 D CA 1.603 55.672 54.000 0.116 0.000 0.833 1127 D CB -0.497 40.350 40.800 0.077 0.000 0.954 1127 D HN 0.316 nan 8.370 nan 0.000 0.455 1128 E N 0.315 120.534 120.200 0.032 0.000 2.107 1128 E HA -0.048 4.297 4.350 -0.009 0.000 0.191 1128 E C 2.107 178.711 176.600 0.007 0.000 0.982 1128 E CA 0.778 57.181 56.400 0.005 0.000 0.809 1128 E CB -0.033 29.654 29.700 -0.022 0.000 0.756 1128 E HN 0.197 nan 8.360 nan 0.000 0.459 1129 A N 1.817 124.645 122.820 0.015 0.000 1.865 1129 A HA -0.191 4.124 4.320 -0.009 0.000 0.217 1129 A C 2.452 180.047 177.584 0.018 0.000 1.191 1129 A CA 1.904 53.942 52.037 0.002 0.000 0.623 1129 A CB -0.823 18.179 19.000 0.003 0.000 0.826 1129 A HN 0.300 nan 8.150 nan 0.000 0.444 1130 A N -0.772 122.083 122.820 0.060 0.000 1.940 1130 A HA -0.011 4.304 4.320 -0.009 0.000 0.219 1130 A C 2.242 179.821 177.584 -0.008 0.000 1.176 1130 A CA 1.825 53.891 52.037 0.048 0.000 0.631 1130 A CB -0.926 18.115 19.000 0.068 0.000 0.814 1130 A HN 0.407 nan 8.150 nan 0.000 0.446 1131 V N 0.903 120.814 119.914 -0.005 0.000 2.295 1131 V HA -0.288 3.827 4.120 -0.009 0.000 0.246 1131 V C 2.292 178.374 176.094 -0.020 0.000 1.049 1131 V CA 2.218 64.502 62.300 -0.026 0.000 1.024 1131 V CB -0.871 30.945 31.823 -0.011 0.000 0.648 1131 V HN 0.624 nan 8.190 nan 0.000 0.447 1132 N N -0.051 118.655 118.700 0.010 0.000 2.142 1132 N HA -0.069 4.666 4.740 -0.009 0.000 0.186 1132 N C 1.889 177.448 175.510 0.082 0.000 1.023 1132 N CA 1.281 54.360 53.050 0.048 0.000 0.852 1132 N CB -0.138 38.385 38.487 0.060 0.000 0.998 1132 N HN 0.370 nan 8.380 nan 0.000 0.424 1133 L N 1.091 122.347 121.223 0.055 0.000 2.083 1133 L HA -0.108 4.226 4.340 -0.009 0.000 0.209 1133 L C 2.498 179.411 176.870 0.072 0.000 1.083 1133 L CA 0.758 55.656 54.840 0.098 0.000 0.752 1133 L CB -0.485 41.640 42.059 0.110 0.000 0.899 1133 L HN 0.145 nan 8.230 nan 0.000 0.433 1134 A N -0.185 122.562 122.820 -0.121 0.000 2.121 1134 A HA -0.151 4.164 4.320 -0.009 0.000 0.218 1134 A C 1.914 179.334 177.584 -0.272 0.000 1.154 1134 A CA 1.149 52.906 52.037 -0.467 0.000 0.679 1134 A CB -0.289 18.371 19.000 -0.565 0.000 0.795 1134 A HN 0.325 nan 8.150 nan 0.000 0.458 1135 K N 0.986 121.370 120.400 -0.026 0.000 2.520 1135 K HA 0.101 4.415 4.320 -0.009 0.000 0.205 1135 K C 0.031 176.737 176.600 0.177 0.000 1.035 1135 K CA 0.249 56.577 56.287 0.069 0.000 1.188 1135 K CB 0.084 32.619 32.500 0.059 0.000 0.894 1135 K HN 0.595 nan 8.250 nan 0.000 0.497 1136 S N -0.638 115.227 115.700 0.275 0.000 2.722 1136 S HA 0.317 4.782 4.470 -0.009 0.000 0.292 1136 S C 0.811 175.611 174.600 0.335 0.000 1.135 1136 S CA -0.971 57.458 58.200 0.382 0.000 1.003 1136 S CB 2.118 65.726 63.200 0.680 0.000 1.067 1136 S HN 0.085 nan 8.310 nan 0.000 0.546 1137 R N -0.039 120.641 120.500 0.301 0.000 2.115 1137 R HA -0.023 4.312 4.340 -0.009 0.000 0.230 1137 R C 1.769 178.259 176.300 0.318 0.000 1.111 1137 R CA 1.576 57.821 56.100 0.242 0.000 0.976 1137 R CB -1.006 29.402 30.300 0.180 0.000 0.870 1137 R HN 0.853 nan 8.270 nan 0.000 0.445 1138 W N 0.130 121.567 121.300 0.229 0.000 2.332 1138 W HA -0.282 4.372 4.660 -0.009 0.000 0.321 1138 W C 1.823 178.461 176.519 0.199 0.000 1.219 1138 W CA 1.948 59.432 57.345 0.232 0.000 1.277 1138 W CB -1.235 28.424 29.460 0.332 0.000 1.161 1138 W HN 0.248 nan 8.180 nan 0.000 0.476 1139 Y N 1.585 121.810 120.300 -0.126 0.000 2.352 1139 Y HA -0.190 4.355 4.550 -0.009 0.000 0.292 1139 Y C 2.508 178.326 175.900 -0.137 0.000 1.136 1139 Y CA 2.381 60.282 58.100 -0.332 0.000 1.227 1139 Y CB -1.017 37.297 38.460 -0.243 0.000 0.991 1139 Y HN 0.168 nan 8.280 nan 0.000 0.545 1140 N N -0.662 118.049 118.700 0.018 0.000 2.309 1140 N HA -0.171 4.564 4.740 -0.009 0.000 0.182 1140 N C 1.403 176.861 175.510 -0.088 0.000 1.018 1140 N CA 1.168 54.200 53.050 -0.031 0.000 0.876 1140 N CB 0.133 38.667 38.487 0.080 0.000 0.972 1140 N HN 0.479 nan 8.380 nan 0.000 0.434 1141 Q N -0.502 119.270 119.800 -0.047 0.000 2.287 1141 Q HA 0.044 4.379 4.340 -0.009 0.000 0.201 1141 Q C 0.531 176.493 176.000 -0.063 0.000 0.946 1141 Q CA 0.993 56.786 55.803 -0.016 0.000 0.868 1141 Q CB 0.274 29.057 28.738 0.075 0.000 0.967 1141 Q HN 0.377 nan 8.270 nan 0.000 0.516 1142 T N -0.992 113.499 114.554 -0.106 0.000 3.427 1142 T HA 0.281 4.625 4.350 -0.009 0.000 0.306 1142 T C -2.222 172.283 174.700 -0.325 0.000 1.733 1142 T CA -1.597 60.422 62.100 -0.135 0.000 1.599 1142 T CB 1.107 69.983 68.868 0.014 0.000 0.964 1142 T HN -0.096 nan 8.240 nan 0.000 0.701 1143 P HA -0.146 nan 4.420 nan 0.000 0.215 1143 P C 1.273 178.344 177.300 -0.382 0.000 1.157 1143 P CA 1.238 63.916 63.100 -0.703 0.000 0.868 1143 P CB 0.203 31.494 31.700 -0.682 0.000 0.788 1144 N N -0.002 118.558 118.700 -0.234 0.000 2.025 1144 N HA -0.178 4.556 4.740 -0.009 0.000 0.194 1144 N C 2.031 177.472 175.510 -0.115 0.000 1.044 1144 N CA 1.214 54.180 53.050 -0.139 0.000 0.851 1144 N CB -1.003 37.425 38.487 -0.099 0.000 1.036 1144 N HN 0.185 nan 8.380 nan 0.000 0.422 1145 R N 0.854 121.301 120.500 -0.087 0.000 2.083 1145 R HA -0.068 4.267 4.340 -0.009 0.000 0.237 1145 R C 2.064 178.347 176.300 -0.027 0.000 1.137 1145 R CA 1.656 57.755 56.100 -0.002 0.000 0.951 1145 R CB -0.312 30.039 30.300 0.085 0.000 0.851 1145 R HN 0.214 nan 8.270 nan 0.000 0.434 1146 A N 1.136 123.802 122.820 -0.258 0.000 1.902 1146 A HA -0.213 4.102 4.320 -0.009 0.000 0.217 1146 A C 2.110 179.572 177.584 -0.203 0.000 1.181 1146 A CA 1.714 53.397 52.037 -0.591 0.000 0.623 1146 A CB -0.542 17.756 19.000 -1.170 0.000 0.818 1146 A HN 0.442 nan 8.150 nan 0.000 0.443 1147 K N -0.448 119.905 120.400 -0.078 0.000 2.009 1147 K HA -0.185 4.130 4.320 -0.009 0.000 0.210 1147 K C 2.328 178.905 176.600 -0.039 0.000 1.049 1147 K CA 1.672 57.961 56.287 0.003 0.000 0.929 1147 K CB -0.204 32.305 32.500 0.014 0.000 0.714 1147 K HN 0.441 nan 8.250 nan 0.000 0.440 1148 R N -0.006 120.441 120.500 -0.088 0.000 2.096 1148 R HA -0.104 4.231 4.340 -0.009 0.000 0.235 1148 R C 2.275 178.562 176.300 -0.020 0.000 1.127 1148 R CA 1.421 57.416 56.100 -0.175 0.000 0.968 1148 R CB -0.233 29.814 30.300 -0.421 0.000 0.861 1148 R HN 0.104 nan 8.270 nan 0.000 0.440 1149 V N 1.147 121.129 119.914 0.113 0.000 2.323 1149 V HA -0.192 3.923 4.120 -0.009 0.000 0.244 1149 V C 2.244 178.389 176.094 0.085 0.000 1.041 1149 V CA 1.529 63.918 62.300 0.148 0.000 1.025 1149 V CB -0.335 31.697 31.823 0.348 0.000 0.656 1149 V HN 0.231 nan 8.190 nan 0.000 0.451 1150 I N 0.299 120.991 120.570 0.203 0.000 2.142 1150 I HA -0.257 3.908 4.170 -0.009 0.000 0.240 1150 I C 2.593 178.793 176.117 0.139 0.000 1.078 1150 I CA 1.992 63.451 61.300 0.265 0.000 1.343 1150 I CB -0.816 37.275 38.000 0.152 0.000 1.046 1150 I HN 0.302 nan 8.210 nan 0.000 0.405 1151 T N 0.046 114.624 114.554 0.040 0.000 2.737 1151 T HA -0.211 4.134 4.350 -0.009 0.000 0.269 1151 T C 1.849 176.514 174.700 -0.057 0.000 1.040 1151 T CA 2.122 64.215 62.100 -0.010 0.000 1.142 1151 T CB -0.497 68.346 68.868 -0.041 0.000 0.861 1151 T HN 0.407 nan 8.240 nan 0.000 0.456 1152 T N 1.533 116.034 114.554 -0.088 0.000 2.777 1152 T HA -0.000 4.345 4.350 -0.009 0.000 0.266 1152 T C 1.548 176.065 174.700 -0.305 0.000 1.040 1152 T CA 0.823 62.799 62.100 -0.207 0.000 1.141 1152 T CB -0.468 68.278 68.868 -0.202 0.000 0.868 1152 T HN 0.274 nan 8.240 nan 0.000 0.444 1153 F N 1.821 121.680 119.950 -0.152 0.000 2.202 1153 F HA -0.014 4.508 4.527 -0.009 0.000 0.301 1153 F C 2.491 178.073 175.800 -0.364 0.000 1.082 1153 F CA 0.653 58.514 58.000 -0.231 0.000 1.313 1153 F CB -0.421 38.563 39.000 -0.028 0.000 1.024 1153 F HN 0.027 nan 8.300 nan 0.000 0.495 1154 R N -0.578 119.902 120.500 -0.033 0.000 2.073 1154 R HA -0.095 4.240 4.340 -0.009 0.000 0.229 1154 R C 2.245 178.390 176.300 -0.258 0.000 1.120 1154 R CA 2.015 58.072 56.100 -0.073 0.000 0.967 1154 R CB -1.044 29.267 30.300 0.018 0.000 0.862 1154 R HN 0.405 nan 8.270 nan 0.000 0.436 1155 T N -3.752 110.650 114.554 -0.253 0.000 3.039 1155 T HA 0.138 4.483 4.350 -0.009 0.000 0.250 1155 T C 1.381 175.881 174.700 -0.333 0.000 1.052 1155 T CA 0.715 62.672 62.100 -0.238 0.000 1.125 1155 T CB 0.488 69.266 68.868 -0.149 0.000 0.908 1155 T HN 0.380 nan 8.240 nan 0.000 0.473 1156 G N 1.886 110.430 108.800 -0.428 0.000 2.176 1156 G HA2 -0.171 3.784 3.960 -0.009 0.000 0.252 1156 G HA3 -0.171 3.784 3.960 -0.009 0.000 0.252 1156 G C 0.188 174.846 174.900 -0.404 0.000 1.024 1156 G CA 0.766 45.594 45.100 -0.453 0.000 0.755 1156 G HN 1.330 nan 8.290 nan 0.000 0.507 1157 T N -4.866 109.456 114.554 -0.386 0.000 2.865 1157 T HA 0.564 4.909 4.350 -0.009 0.000 0.294 1157 T C 0.531 175.004 174.700 -0.378 0.000 1.119 1157 T CA -0.461 61.426 62.100 -0.354 0.000 1.007 1157 T CB 1.190 69.974 68.868 -0.141 0.000 1.225 1157 T HN 0.288 nan 8.240 nan 0.000 0.515 1158 W N 0.273 121.566 121.300 -0.011 0.000 3.292 1158 W HA 0.196 4.851 4.660 -0.009 0.000 0.263 1158 W C 1.031 177.601 176.519 0.086 0.000 1.318 1158 W CA -0.446 56.932 57.345 0.054 0.000 1.663 1158 W CB -0.182 29.285 29.460 0.011 0.000 1.114 1158 W HN 0.729 nan 8.180 nan 0.000 0.706 1159 D N 0.852 121.352 120.400 0.168 0.000 2.203 1159 D HA -0.232 4.402 4.640 -0.009 0.000 0.199 1159 D C 2.190 178.524 176.300 0.056 0.000 0.997 1159 D CA 1.761 55.813 54.000 0.086 0.000 0.863 1159 D CB -0.522 40.292 40.800 0.023 0.000 0.928 1159 D HN 0.202 nan 8.370 nan 0.000 0.458 1160 A N -0.853 121.984 122.820 0.028 0.000 2.119 1160 A HA -0.057 4.258 4.320 -0.009 0.000 0.217 1160 A C 0.591 177.978 177.584 -0.328 0.000 1.153 1160 A CA 0.663 52.600 52.037 -0.167 0.000 0.692 1160 A CB -0.256 18.573 19.000 -0.285 0.000 0.799 1160 A HN 0.174 nan 8.150 nan 0.000 0.458 1161 Y N 0.000 120.346 120.300 0.077 0.000 2.660 1161 Y HA 0.000 4.545 4.550 -0.009 0.000 0.201 1161 Y CA 0.000 58.129 58.100 0.049 0.000 1.940 1161 Y CB 0.000 38.506 38.460 0.077 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758