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 2frz_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPWIP REAGEAFDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLLGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.498 175.510 -0.020 0.000 1.280 10 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 10 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 11 L N 2.131 123.345 121.223 -0.016 0.000 2.313 11 L HA 0.788 5.125 4.340 -0.005 0.000 0.283 11 L C 0.185 177.062 176.870 0.011 0.000 1.013 11 L CA -0.649 54.184 54.840 -0.012 0.000 0.816 11 L CB 1.305 43.352 42.059 -0.019 0.000 1.236 11 L HN 0.611 nan 8.230 nan 0.000 0.419 12 A N 5.709 128.547 122.820 0.029 0.000 2.401 12 A HA 0.650 4.967 4.320 -0.005 0.000 0.259 12 A C -2.157 175.467 177.584 0.065 0.000 1.103 12 A CA -1.122 50.948 52.037 0.055 0.000 0.789 12 A CB -0.486 18.565 19.000 0.084 0.000 1.035 12 A HN 0.534 nan 8.150 nan 0.000 0.491 13 P HA 0.006 nan 4.420 nan 0.000 0.264 13 P C -0.294 177.013 177.300 0.013 0.000 1.183 13 P CA -0.148 62.964 63.100 0.021 0.000 0.763 13 P CB 0.318 32.025 31.700 0.012 0.000 0.807 14 L N 6.851 128.053 121.223 -0.035 0.000 2.562 14 L HA 0.150 4.486 4.340 -0.005 0.000 0.271 14 L C -2.019 174.718 176.870 -0.222 0.000 1.167 14 L CA -1.243 53.506 54.840 -0.152 0.000 0.917 14 L CB -0.947 41.008 42.059 -0.175 0.000 1.187 14 L HN 0.289 nan 8.230 nan 0.000 0.482 15 P HA 0.105 nan 4.420 nan 0.000 0.267 15 P C -2.129 175.012 177.300 -0.264 0.000 1.200 15 P CA -0.869 62.074 63.100 -0.261 0.000 0.772 15 P CB 0.118 31.608 31.700 -0.350 0.000 0.855 16 P HA -0.210 nan 4.420 nan 0.000 0.216 16 P C 1.240 178.513 177.300 -0.045 0.000 1.150 16 P CA 1.471 64.543 63.100 -0.047 0.000 0.843 16 P CB -0.409 31.301 31.700 0.017 0.000 0.787 17 H N -1.906 117.099 119.070 -0.108 0.000 2.547 17 H HA 0.077 4.630 4.556 -0.006 0.000 0.272 17 H C 0.049 175.332 175.328 -0.076 0.000 0.989 17 H CA 0.358 56.370 56.048 -0.060 0.000 1.214 17 H CB -0.875 28.881 29.762 -0.009 0.000 1.389 17 H HN -0.064 nan 8.280 nan 0.000 0.577 18 V N 4.266 123.757 119.914 -0.705 0.000 2.408 18 V HA 0.178 4.294 4.120 -0.005 0.000 0.267 18 V C -2.071 173.814 176.094 -0.347 0.000 1.047 18 V CA -1.576 60.309 62.300 -0.692 0.000 0.937 18 V CB 1.105 32.085 31.823 -1.405 0.000 0.999 18 V HN 0.180 nan 8.190 nan 0.000 0.472 19 P HA 0.098 nan 4.420 nan 0.000 0.263 19 P C 0.505 177.736 177.300 -0.115 0.000 1.195 19 P CA 0.038 63.101 63.100 -0.062 0.000 0.762 19 P CB 0.740 32.421 31.700 -0.031 0.000 0.799 20 E N 1.833 122.026 120.200 -0.011 0.000 2.130 20 E HA -0.244 4.102 4.350 -0.005 0.000 0.196 20 E C 1.676 178.299 176.600 0.038 0.000 0.998 20 E CA 1.502 57.902 56.400 -0.000 0.000 0.806 20 E CB -0.634 29.088 29.700 0.037 0.000 0.738 20 E HN 0.626 nan 8.360 nan 0.000 0.459 21 H N -0.393 118.690 119.070 0.022 0.000 2.559 21 H HA 0.044 4.599 4.556 -0.002 0.000 0.273 21 H C 1.274 176.651 175.328 0.082 0.000 1.000 21 H CA 0.630 56.706 56.048 0.046 0.000 1.195 21 H CB -0.210 29.575 29.762 0.039 0.000 1.368 21 H HN 0.204 nan 8.280 nan 0.000 0.592 22 L N 1.262 122.283 121.223 -0.336 0.000 2.628 22 L HA 0.191 4.528 4.340 -0.005 0.000 0.229 22 L C 0.162 177.065 176.870 0.056 0.000 1.137 22 L CA -0.276 54.480 54.840 -0.140 0.000 0.909 22 L CB 0.709 42.710 42.059 -0.097 0.000 1.137 22 L HN -0.027 nan 8.230 nan 0.000 0.470 23 V N 0.785 120.729 119.914 0.051 0.000 2.508 23 V HA 0.064 4.181 4.120 -0.005 0.000 0.281 23 V C -0.589 175.603 176.094 0.163 0.000 1.041 23 V CA 0.226 62.592 62.300 0.110 0.000 1.016 23 V CB 0.951 32.808 31.823 0.056 0.000 0.984 23 V HN 0.096 nan 8.190 nan 0.000 0.478 24 F N 3.859 123.809 119.950 -0.000 0.000 2.828 24 F HA 0.394 4.917 4.527 -0.006 0.000 0.355 24 F C 0.203 175.983 175.800 -0.034 0.000 1.200 24 F CA -0.779 57.215 58.000 -0.010 0.000 1.062 24 F CB 1.307 40.300 39.000 -0.011 0.000 1.351 24 F HN 0.510 nan 8.300 nan 0.000 0.504 25 D N 6.340 126.628 120.400 -0.188 0.000 2.662 25 D HA -0.030 4.607 4.640 -0.005 0.000 0.228 25 D C -0.234 176.007 176.300 -0.098 0.000 1.093 25 D CA 0.471 54.387 54.000 -0.140 0.000 1.075 25 D CB -0.290 40.412 40.800 -0.163 0.000 1.122 25 D HN 0.245 nan 8.370 nan 0.000 0.475 26 F N 1.813 121.706 119.950 -0.095 0.000 2.427 26 F HA 0.112 4.636 4.527 -0.005 0.000 0.352 26 F C 0.493 176.180 175.800 -0.188 0.000 1.100 26 F CA -0.710 57.233 58.000 -0.094 0.000 1.191 26 F CB 0.886 39.878 39.000 -0.013 0.000 1.128 26 F HN -0.121 nan 8.300 nan 0.000 0.533 27 D N 7.360 127.286 120.400 -0.791 0.000 2.473 27 D HA 0.093 4.730 4.640 -0.005 0.000 0.226 27 D C 0.996 176.794 176.300 -0.837 0.000 1.089 27 D CA -0.433 53.233 54.000 -0.557 0.000 0.883 27 D CB 0.793 41.385 40.800 -0.347 0.000 1.029 27 D HN 0.758 nan 8.370 nan 0.000 0.517 28 M N 1.811 121.048 119.600 -0.605 0.000 2.346 28 M HA -0.140 4.337 4.480 -0.005 0.000 0.263 28 M C 0.242 176.267 176.300 -0.458 0.000 1.064 28 M CA 1.344 56.284 55.300 -0.600 0.000 1.083 28 M CB -0.306 32.105 32.600 -0.314 0.000 1.399 28 M HN 0.211 nan 8.290 nan 0.000 0.435 29 Y N 0.520 120.734 120.300 -0.143 0.000 2.457 29 Y HA 0.284 4.831 4.550 -0.005 0.000 0.263 29 Y C 0.527 176.383 175.900 -0.073 0.000 1.164 29 Y CA -0.041 58.029 58.100 -0.049 0.000 1.274 29 Y CB 0.439 38.882 38.460 -0.028 0.000 1.097 29 Y HN 0.474 nan 8.280 nan 0.000 0.523 30 N N 0.762 119.415 118.700 -0.078 0.000 2.926 30 N HA 0.071 4.808 4.740 -0.005 0.000 0.201 30 N C -3.237 172.127 175.510 -0.244 0.000 1.419 30 N CA -0.951 52.044 53.050 -0.091 0.000 0.838 30 N CB 0.814 39.279 38.487 -0.038 0.000 1.534 30 N HN -0.186 nan 8.380 nan 0.000 0.569 31 P HA 0.075 nan 4.420 nan 0.000 0.268 31 P C 0.734 177.907 177.300 -0.213 0.000 1.204 31 P CA 0.096 62.888 63.100 -0.514 0.000 0.768 31 P CB 1.482 32.828 31.700 -0.591 0.000 0.842 32 S N 2.375 117.966 115.700 -0.182 0.000 2.381 32 S HA -0.234 4.232 4.470 -0.005 0.000 0.230 32 S C 1.458 176.045 174.600 -0.020 0.000 1.052 32 S CA 2.070 60.221 58.200 -0.081 0.000 1.068 32 S CB -0.797 62.366 63.200 -0.062 0.000 0.918 32 S HN 0.638 nan 8.310 nan 0.000 0.448 33 N N 0.857 119.569 118.700 0.021 0.000 2.346 33 N HA 0.159 4.896 4.740 -0.005 0.000 0.225 33 N C 0.956 176.511 175.510 0.074 0.000 1.144 33 N CA -0.126 52.957 53.050 0.055 0.000 0.837 33 N CB -0.230 38.310 38.487 0.088 0.000 1.069 33 N HN 0.162 nan 8.380 nan 0.000 0.487 34 L N 0.390 121.649 121.223 0.060 0.000 2.043 34 L HA -0.190 4.147 4.340 -0.005 0.000 0.212 34 L C 2.121 179.042 176.870 0.085 0.000 1.075 34 L CA 1.938 56.839 54.840 0.101 0.000 0.752 34 L CB -1.120 40.990 42.059 0.085 0.000 0.891 34 L HN 0.364 nan 8.230 nan 0.000 0.432 35 S N -0.918 114.809 115.700 0.046 0.000 2.440 35 S HA -0.134 4.333 4.470 -0.005 0.000 0.238 35 S C 1.838 176.442 174.600 0.006 0.000 1.010 35 S CA 0.829 59.040 58.200 0.018 0.000 0.972 35 S CB -0.884 62.325 63.200 0.014 0.000 0.774 35 S HN 0.520 nan 8.310 nan 0.000 0.501 36 A N 0.913 123.755 122.820 0.037 0.000 2.275 36 A HA 0.608 4.925 4.320 -0.005 0.000 0.212 36 A C 1.109 178.729 177.584 0.061 0.000 1.201 36 A CA 0.248 52.311 52.037 0.043 0.000 0.843 36 A CB -0.642 18.395 19.000 0.062 0.000 0.873 36 A HN 1.562 nan 8.150 nan 0.000 0.492 37 G N -1.996 106.846 108.800 0.071 0.000 2.592 37 G HA2 0.107 4.064 3.960 -0.005 0.000 0.685 37 G HA3 0.107 4.064 3.960 -0.005 0.000 0.685 37 G C 0.314 175.442 174.900 0.380 0.000 1.278 37 G CA -0.411 44.806 45.100 0.195 0.000 0.822 37 G HN 0.764 nan 8.290 nan 0.000 0.652 38 V N 0.644 120.934 119.914 0.627 0.000 2.261 38 V HA -0.198 3.919 4.120 -0.005 0.000 0.246 38 V C 2.834 179.167 176.094 0.398 0.000 1.047 38 V CA 2.742 65.327 62.300 0.476 0.000 1.015 38 V CB -1.072 30.977 31.823 0.378 0.000 0.642 38 V HN 0.741 nan 8.190 nan 0.000 0.446 39 Q N 0.550 120.460 119.800 0.183 0.000 2.061 39 Q HA -0.214 4.123 4.340 -0.005 0.000 0.204 39 Q C 2.227 178.325 176.000 0.163 0.000 0.984 39 Q CA 2.095 57.937 55.803 0.065 0.000 0.846 39 Q CB -0.512 28.173 28.738 -0.088 0.000 0.902 39 Q HN 0.717 nan 8.270 nan 0.000 0.421 40 E N 0.168 120.470 120.200 0.170 0.000 2.118 40 E HA -0.173 4.174 4.350 -0.005 0.000 0.195 40 E C 1.816 178.531 176.600 0.191 0.000 0.992 40 E CA 1.298 57.786 56.400 0.146 0.000 0.804 40 E CB -0.379 29.399 29.700 0.131 0.000 0.741 40 E HN 0.422 nan 8.360 nan 0.000 0.458 41 A N -0.199 122.779 122.820 0.264 0.000 1.902 41 A HA -0.158 4.158 4.320 -0.005 0.000 0.217 41 A C 1.754 179.545 177.584 0.344 0.000 1.181 41 A CA 1.273 53.473 52.037 0.271 0.000 0.623 41 A CB -0.900 18.257 19.000 0.260 0.000 0.818 41 A HN 0.358 nan 8.150 nan 0.000 0.443 42 W N -0.410 121.006 121.300 0.193 0.000 2.436 42 W HA 0.164 4.821 4.660 -0.005 0.000 0.284 42 W C 2.616 179.086 176.519 -0.083 0.000 1.225 42 W CA 0.915 58.311 57.345 0.084 0.000 1.271 42 W CB -0.357 29.112 29.460 0.015 0.000 1.114 42 W HN 0.344 nan 8.180 nan 0.000 0.559 43 A N 0.578 123.507 122.820 0.182 0.000 2.186 43 A HA -0.145 4.172 4.320 -0.005 0.000 0.219 43 A C 2.013 179.604 177.584 0.011 0.000 1.159 43 A CA 1.876 53.945 52.037 0.053 0.000 0.680 43 A CB -1.256 17.769 19.000 0.042 0.000 0.787 43 A HN 0.286 nan 8.150 nan 0.000 0.467 44 V N -2.234 117.713 119.914 0.054 0.000 2.594 44 V HA -0.191 3.926 4.120 -0.005 0.000 0.253 44 V C 1.978 178.023 176.094 -0.083 0.000 1.069 44 V CA 1.955 64.292 62.300 0.062 0.000 1.082 44 V CB -0.911 31.031 31.823 0.199 0.000 0.680 44 V HN 0.470 nan 8.190 nan 0.000 0.469 45 L N -0.363 120.714 121.223 -0.242 0.000 2.456 45 L HA -0.010 4.327 4.340 -0.005 0.000 0.224 45 L C 2.328 178.995 176.870 -0.338 0.000 1.148 45 L CA 1.188 55.733 54.840 -0.491 0.000 0.825 45 L CB -0.380 41.346 42.059 -0.554 0.000 0.937 45 L HN 0.441 nan 8.230 nan 0.000 0.450 46 Q N -0.681 119.004 119.800 -0.191 0.000 2.175 46 Q HA 0.143 4.480 4.340 -0.005 0.000 0.225 46 Q C -0.128 175.817 176.000 -0.091 0.000 0.837 46 Q CA -0.179 55.543 55.803 -0.135 0.000 1.032 46 Q CB 0.719 29.398 28.738 -0.098 0.000 1.137 46 Q HN 0.382 nan 8.270 nan 0.000 0.483 47 E N 0.065 120.213 120.200 -0.086 0.000 2.374 47 E HA 0.044 4.391 4.350 -0.005 0.000 0.260 47 E C 0.762 177.342 176.600 -0.033 0.000 1.101 47 E CA -0.091 56.289 56.400 -0.034 0.000 0.907 47 E CB 1.019 30.724 29.700 0.010 0.000 1.014 47 E HN 0.022 nan 8.360 nan 0.000 0.427 48 S N 2.140 117.833 115.700 -0.012 0.000 2.408 48 S HA -0.294 4.172 4.470 -0.005 0.000 0.241 48 S C 0.998 175.596 174.600 -0.004 0.000 1.080 48 S CA 2.410 60.606 58.200 -0.008 0.000 1.109 48 S CB -0.302 62.900 63.200 0.003 0.000 0.966 48 S HN 0.525 nan 8.310 nan 0.000 0.449 49 N N -0.183 118.525 118.700 0.013 0.000 2.268 49 N HA 0.210 4.947 4.740 -0.005 0.000 0.204 49 N C -0.962 174.562 175.510 0.023 0.000 1.124 49 N CA -0.103 52.964 53.050 0.028 0.000 0.838 49 N CB 0.872 39.392 38.487 0.054 0.000 0.994 49 N HN 0.148 nan 8.380 nan 0.000 0.489 50 V N 2.782 122.674 119.914 -0.036 0.000 2.407 50 V HA 0.310 4.426 4.120 -0.005 0.000 0.278 50 V C -1.641 174.395 176.094 -0.097 0.000 1.037 50 V CA -1.660 60.573 62.300 -0.112 0.000 0.900 50 V CB 1.174 32.807 31.823 -0.317 0.000 0.983 50 V HN 0.106 nan 8.190 nan 0.000 0.459 51 P HA 0.214 nan 4.420 nan 0.000 0.273 51 P C 0.010 177.261 177.300 -0.081 0.000 1.250 51 P CA -0.315 62.761 63.100 -0.040 0.000 0.793 51 P CB 1.079 32.786 31.700 0.013 0.000 1.011 52 D N -0.813 119.540 120.400 -0.077 0.000 2.218 52 D HA -0.033 4.604 4.640 -0.005 0.000 0.204 52 D C 0.413 176.649 176.300 -0.108 0.000 0.976 52 D CA 1.425 55.354 54.000 -0.120 0.000 0.853 52 D CB -0.160 40.544 40.800 -0.160 0.000 0.939 52 D HN 0.094 nan 8.370 nan 0.000 0.481 53 L N 0.523 121.720 121.223 -0.044 0.000 2.441 53 L HA 0.349 4.686 4.340 -0.005 0.000 0.270 53 L C -0.769 176.209 176.870 0.180 0.000 0.973 53 L CA -0.913 53.957 54.840 0.051 0.000 0.842 53 L CB 1.858 43.924 42.059 0.011 0.000 1.239 53 L HN -0.147 nan 8.230 nan 0.000 0.406 54 V N 1.541 121.592 119.914 0.229 0.000 3.126 54 V HA 0.708 4.825 4.120 -0.005 0.000 0.314 54 V C -1.466 174.839 176.094 0.351 0.000 1.138 54 V CA -0.738 61.715 62.300 0.257 0.000 1.034 54 V CB 2.160 34.034 31.823 0.085 0.000 1.075 54 V HN 0.915 nan 8.190 nan 0.000 0.442 55 W N 1.737 123.007 121.300 -0.049 0.000 2.600 55 W HA 0.663 5.321 4.660 -0.003 0.000 0.325 55 W C -1.064 175.306 176.519 -0.250 0.000 1.034 55 W CA -0.236 56.902 57.345 -0.344 0.000 1.226 55 W CB 1.909 30.900 29.460 -0.781 0.000 1.379 55 W HN 0.892 nan 8.180 nan 0.000 0.466 56 T N 5.170 119.235 114.554 -0.815 0.000 2.824 56 T HA 0.395 4.742 4.350 -0.005 0.000 0.280 56 T C 0.895 175.160 174.700 -0.724 0.000 0.995 56 T CA -0.411 61.350 62.100 -0.564 0.000 1.009 56 T CB 1.121 69.691 68.868 -0.497 0.000 0.955 56 T HN 0.622 nan 8.240 nan 0.000 0.452 57 R N 2.084 122.433 120.500 -0.251 0.000 2.310 57 R HA 0.211 4.548 4.340 -0.005 0.000 0.202 57 R C 0.506 176.731 176.300 -0.124 0.000 0.933 57 R CA -0.234 55.813 56.100 -0.087 0.000 1.054 57 R CB -0.281 30.044 30.300 0.042 0.000 0.985 57 R HN 0.535 nan 8.270 nan 0.000 0.489 58 C N 1.143 120.328 119.300 -0.192 0.000 2.580 58 C HA 0.114 4.571 4.460 -0.005 0.000 0.371 58 C C 0.910 175.866 174.990 -0.057 0.000 1.308 58 C CA -0.468 58.482 59.018 -0.113 0.000 2.428 58 C CB 0.140 27.805 27.740 -0.124 0.000 2.529 58 C HN 0.676 nan 8.230 nan 0.000 0.657 59 N N 0.560 119.272 118.700 0.020 0.000 2.716 59 N HA -0.159 4.577 4.740 -0.005 0.000 0.250 59 N C 0.747 176.307 175.510 0.082 0.000 1.033 59 N CA 0.872 53.975 53.050 0.087 0.000 0.727 59 N CB -1.120 37.482 38.487 0.192 0.000 0.950 59 N HN 1.350 nan 8.380 nan 0.000 0.541 60 G N -1.932 106.894 108.800 0.043 0.000 2.217 60 G HA2 0.081 4.038 3.960 -0.005 0.000 0.246 60 G HA3 0.081 4.038 3.960 -0.005 0.000 0.246 60 G C 0.539 175.468 174.900 0.049 0.000 0.990 60 G CA 0.296 45.431 45.100 0.057 0.000 0.627 60 G HN 1.616 nan 8.290 nan 0.000 0.522 61 G N -0.739 108.012 108.800 -0.080 0.000 3.190 61 G HA2 0.569 4.526 3.960 -0.005 0.000 0.686 61 G HA3 0.569 4.526 3.960 -0.005 0.000 0.686 61 G C -0.532 173.924 174.900 -0.740 0.000 1.033 61 G CA 0.653 45.544 45.100 -0.348 0.000 0.797 61 G HN 2.932 nan 8.290 nan 0.000 0.567 62 H N -1.604 116.411 119.070 -1.759 0.000 3.005 62 H HA 0.599 5.152 4.556 -0.005 0.000 0.311 62 H C -0.614 173.988 175.328 -1.210 0.000 1.366 62 H CA -1.557 53.678 56.048 -1.356 0.000 1.210 62 H CB -0.070 29.410 29.762 -0.470 0.000 1.894 62 H HN 0.694 nan 8.280 nan 0.000 0.520 63 W N 1.187 122.368 121.300 -0.199 0.000 2.129 63 W HA 0.619 5.275 4.660 -0.007 0.000 0.349 63 W C -0.157 176.416 176.519 0.090 0.000 1.279 63 W CA -0.462 56.922 57.345 0.066 0.000 1.306 63 W CB 0.715 30.329 29.460 0.256 0.000 1.140 63 W HN 0.492 nan 8.180 nan 0.000 0.613 64 I N 2.035 122.797 120.570 0.320 0.000 2.586 64 I HA 0.327 4.494 4.170 -0.005 0.000 0.288 64 I C -0.495 175.672 176.117 0.084 0.000 1.147 64 I CA -1.158 60.235 61.300 0.154 0.000 1.047 64 I CB 1.456 39.475 38.000 0.032 0.000 1.244 64 I HN 0.436 nan 8.210 nan 0.000 0.429 65 A N 3.203 126.035 122.820 0.020 0.000 2.309 65 A HA 0.505 4.822 4.320 -0.005 0.000 0.290 65 A C 0.958 178.493 177.584 -0.083 0.000 1.206 65 A CA -0.091 51.920 52.037 -0.043 0.000 0.850 65 A CB 0.235 19.184 19.000 -0.086 0.000 1.118 65 A HN 0.857 nan 8.150 nan 0.000 0.523 66 T N -0.084 114.400 114.554 -0.117 0.000 3.060 66 T HA 0.213 4.560 4.350 -0.005 0.000 0.249 66 T C 0.602 175.224 174.700 -0.130 0.000 1.079 66 T CA 0.010 62.022 62.100 -0.148 0.000 1.013 66 T CB 0.032 68.776 68.868 -0.207 0.000 0.975 66 T HN 0.521 nan 8.240 nan 0.000 0.518 67 R N 0.301 120.724 120.500 -0.127 0.000 2.670 67 R HA 0.561 4.898 4.340 -0.005 0.000 0.289 67 R C 1.510 177.744 176.300 -0.110 0.000 0.965 67 R CA -0.298 55.731 56.100 -0.117 0.000 0.899 67 R CB 1.224 31.449 30.300 -0.124 0.000 1.173 67 R HN 0.217 nan 8.270 nan 0.000 0.456 68 G N 1.292 110.036 108.800 -0.094 0.000 2.505 68 G HA2 -0.355 3.602 3.960 -0.005 0.000 0.220 68 G HA3 -0.355 3.602 3.960 -0.005 0.000 0.220 68 G C 1.084 175.926 174.900 -0.097 0.000 1.145 68 G CA 0.955 46.000 45.100 -0.092 0.000 0.761 68 G HN 0.660 nan 8.290 nan 0.000 0.571 69 Q N -0.576 119.169 119.800 -0.091 0.000 2.030 69 Q HA -0.130 4.206 4.340 -0.005 0.000 0.204 69 Q C 2.546 178.496 176.000 -0.083 0.000 0.986 69 Q CA 1.443 57.203 55.803 -0.073 0.000 0.843 69 Q CB -0.191 28.510 28.738 -0.062 0.000 0.904 69 Q HN 0.414 nan 8.270 nan 0.000 0.420 70 L N 0.363 121.482 121.223 -0.173 0.000 2.056 70 L HA -0.145 4.192 4.340 -0.005 0.000 0.207 70 L C 2.275 179.111 176.870 -0.058 0.000 1.078 70 L CA 1.283 56.009 54.840 -0.189 0.000 0.749 70 L CB -0.496 41.361 42.059 -0.337 0.000 0.901 70 L HN 0.299 nan 8.230 nan 0.000 0.433 71 I N -0.950 119.562 120.570 -0.097 0.000 2.163 71 I HA -0.353 3.814 4.170 -0.005 0.000 0.243 71 I C 2.736 178.850 176.117 -0.005 0.000 1.085 71 I CA 1.349 62.593 61.300 -0.094 0.000 1.347 71 I CB -0.347 37.635 38.000 -0.030 0.000 1.044 71 I HN 0.232 nan 8.210 nan 0.000 0.408 72 R N 0.309 120.789 120.500 -0.034 0.000 2.081 72 R HA -0.209 4.128 4.340 -0.005 0.000 0.235 72 R C 2.270 178.677 176.300 0.179 0.000 1.131 72 R CA 1.656 57.704 56.100 -0.088 0.000 0.960 72 R CB -0.373 29.711 30.300 -0.360 0.000 0.856 72 R HN 0.451 nan 8.270 nan 0.000 0.436 73 E N 0.478 120.766 120.200 0.146 0.000 2.077 73 E HA -0.190 4.157 4.350 -0.005 0.000 0.193 73 E C 1.902 178.630 176.600 0.214 0.000 0.989 73 E CA 1.233 57.785 56.400 0.253 0.000 0.800 73 E CB -0.020 29.889 29.700 0.349 0.000 0.746 73 E HN 0.342 nan 8.360 nan 0.000 0.452 74 A N 0.178 122.979 122.820 -0.031 0.000 1.877 74 A HA -0.185 4.131 4.320 -0.005 0.000 0.216 74 A C 1.900 179.347 177.584 -0.228 0.000 1.186 74 A CA 1.422 53.098 52.037 -0.601 0.000 0.620 74 A CB -0.963 17.288 19.000 -1.248 0.000 0.822 74 A HN 0.428 nan 8.150 nan 0.000 0.443 75 Y N 0.490 120.803 120.300 0.022 0.000 2.403 75 Y HA -0.113 4.434 4.550 -0.005 0.000 0.291 75 Y C 2.318 178.356 175.900 0.230 0.000 1.143 75 Y CA 1.411 59.604 58.100 0.155 0.000 1.257 75 Y CB -0.285 38.305 38.460 0.216 0.000 0.984 75 Y HN 0.503 nan 8.280 nan 0.000 0.550 76 E N -0.948 119.477 120.200 0.375 0.000 2.170 76 E HA -0.109 4.238 4.350 -0.005 0.000 0.191 76 E C 0.388 177.122 176.600 0.223 0.000 0.981 76 E CA 0.685 57.255 56.400 0.282 0.000 0.830 76 E CB 0.106 29.959 29.700 0.254 0.000 0.775 76 E HN 0.126 nan 8.360 nan 0.000 0.470 77 D N 0.256 120.792 120.400 0.227 0.000 2.563 77 D HA -0.017 4.619 4.640 -0.005 0.000 0.222 77 D C 0.353 176.725 176.300 0.120 0.000 1.145 77 D CA -0.419 53.645 54.000 0.107 0.000 1.001 77 D CB -0.102 40.845 40.800 0.245 0.000 1.049 77 D HN 0.175 nan 8.370 nan 0.000 0.515 78 Y N 0.991 121.372 120.300 0.134 0.000 2.509 78 Y HA 0.093 4.640 4.550 -0.005 0.000 0.293 78 Y C 1.753 177.647 175.900 -0.010 0.000 1.133 78 Y CA 0.155 58.323 58.100 0.114 0.000 1.283 78 Y CB -0.338 38.199 38.460 0.128 0.000 1.001 78 Y HN 0.018 nan 8.280 nan 0.000 0.555 79 R N 0.060 120.333 120.500 -0.378 0.000 2.092 79 R HA -0.059 4.278 4.340 -0.005 0.000 0.231 79 R C 1.524 177.539 176.300 -0.475 0.000 1.119 79 R CA 2.061 57.918 56.100 -0.405 0.000 0.970 79 R CB -0.609 29.318 30.300 -0.622 0.000 0.864 79 R HN 0.635 nan 8.270 nan 0.000 0.440 80 H N -2.809 115.994 119.070 -0.445 0.000 2.476 80 H HA 0.215 4.768 4.556 -0.005 0.000 0.292 80 H C -0.370 174.496 175.328 -0.770 0.000 1.019 80 H CA 0.128 55.713 56.048 -0.772 0.000 1.330 80 H CB 0.455 29.380 29.762 -1.395 0.000 1.451 80 H HN -0.033 nan 8.280 nan 0.000 0.535 81 F N 1.210 121.142 119.950 -0.030 0.000 2.307 81 F HA 0.287 4.810 4.527 -0.006 0.000 0.369 81 F C 0.226 176.053 175.800 0.045 0.000 1.076 81 F CA -0.738 57.246 58.000 -0.027 0.000 1.149 81 F CB 1.176 40.113 39.000 -0.105 0.000 1.410 81 F HN -0.099 nan 8.300 nan 0.000 0.481 82 S N 0.954 116.749 115.700 0.158 0.000 2.565 82 S HA 0.217 4.684 4.470 -0.005 0.000 0.274 82 S C 1.152 175.827 174.600 0.126 0.000 1.309 82 S CA -0.467 57.824 58.200 0.151 0.000 1.043 82 S CB 1.100 64.359 63.200 0.098 0.000 0.939 82 S HN 0.523 nan 8.310 nan 0.000 0.504 83 S N 3.012 118.782 115.700 0.116 0.000 2.603 83 S HA 0.030 4.496 4.470 -0.005 0.000 0.220 83 S C 1.674 176.285 174.600 0.017 0.000 0.967 83 S CA -0.172 58.038 58.200 0.017 0.000 0.920 83 S CB -0.197 62.956 63.200 -0.078 0.000 0.773 83 S HN 0.754 nan 8.310 nan 0.000 0.529 84 E N 0.637 120.874 120.200 0.061 0.000 2.086 84 E HA -0.181 4.166 4.350 -0.005 0.000 0.200 84 E C 0.498 177.124 176.600 0.043 0.000 1.012 84 E CA 0.835 57.274 56.400 0.065 0.000 0.812 84 E CB -0.037 29.703 29.700 0.067 0.000 0.743 84 E HN 0.392 nan 8.360 nan 0.000 0.453 85 C N 2.095 121.405 119.300 0.017 0.000 2.816 85 C HA 0.368 4.825 4.460 -0.005 0.000 0.255 85 C C -1.794 173.163 174.990 -0.055 0.000 1.141 85 C CA -1.422 57.591 59.018 -0.008 0.000 1.554 85 C CB 0.517 28.278 27.740 0.036 0.000 1.778 85 C HN 0.208 nan 8.230 nan 0.000 0.429 86 P HA 0.069 nan 4.420 nan 0.000 0.257 86 P C 0.371 177.669 177.300 -0.003 0.000 1.241 86 P CA 0.418 63.426 63.100 -0.153 0.000 0.816 86 P CB 0.283 31.790 31.700 -0.321 0.000 1.150 87 W N 0.486 121.516 121.300 -0.450 0.000 2.578 87 W HA 0.530 5.187 4.660 -0.005 0.000 0.346 87 W C -0.382 176.012 176.519 -0.210 0.000 1.075 87 W CA -0.718 56.418 57.345 -0.348 0.000 1.233 87 W CB 1.746 30.915 29.460 -0.484 0.000 1.358 87 W HN -0.349 nan 8.180 nan 0.000 0.574 88 I N 4.660 125.196 120.570 -0.056 0.000 2.509 88 I HA 0.240 4.407 4.170 -0.005 0.000 0.293 88 I C -1.672 174.527 176.117 0.137 0.000 1.020 88 I CA -2.232 59.047 61.300 -0.034 0.000 1.088 88 I CB 2.403 40.266 38.000 -0.229 0.000 1.267 88 I HN 0.028 nan 8.210 nan 0.000 0.430 89 P HA 0.089 nan 4.420 nan 0.000 0.275 89 P C 0.370 177.714 177.300 0.073 0.000 1.270 89 P CA -0.304 62.849 63.100 0.088 0.000 0.791 89 P CB 0.949 32.698 31.700 0.082 0.000 1.089 90 R N 0.191 120.732 120.500 0.068 0.000 2.103 90 R HA -0.210 4.127 4.340 -0.005 0.000 0.242 90 R C 1.965 178.311 176.300 0.077 0.000 1.142 90 R CA 1.992 58.134 56.100 0.070 0.000 0.960 90 R CB -0.405 29.943 30.300 0.080 0.000 0.858 90 R HN 0.390 nan 8.270 nan 0.000 0.439 91 E N 0.214 120.465 120.200 0.084 0.000 2.097 91 E HA -0.197 4.150 4.350 -0.005 0.000 0.196 91 E C 1.813 178.488 176.600 0.125 0.000 1.000 91 E CA 1.730 58.188 56.400 0.096 0.000 0.804 91 E CB -0.294 29.462 29.700 0.093 0.000 0.740 91 E HN 0.494 nan 8.360 nan 0.000 0.454 92 A N 0.442 123.339 122.820 0.129 0.000 1.873 92 A HA -0.035 4.282 4.320 -0.005 0.000 0.215 92 A C 2.489 180.024 177.584 -0.083 0.000 1.186 92 A CA 1.696 53.784 52.037 0.085 0.000 0.616 92 A CB -1.227 17.839 19.000 0.110 0.000 0.823 92 A HN 0.355 nan 8.150 nan 0.000 0.442 93 G N -0.550 108.258 108.800 0.014 0.000 2.432 93 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.219 93 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.219 93 G C 1.420 176.345 174.900 0.043 0.000 1.135 93 G CA 1.051 46.155 45.100 0.006 0.000 0.767 93 G HN 0.666 nan 8.290 nan 0.000 0.550 94 E N 0.191 120.432 120.200 0.068 0.000 2.158 94 E HA 0.119 4.466 4.350 -0.005 0.000 0.191 94 E C 2.815 179.472 176.600 0.095 0.000 0.982 94 E CA 0.578 57.025 56.400 0.079 0.000 0.823 94 E CB -0.046 29.698 29.700 0.073 0.000 0.766 94 E HN 0.415 nan 8.360 nan 0.000 0.468 95 A N 1.078 123.977 122.820 0.131 0.000 2.016 95 A HA -0.044 4.273 4.320 -0.005 0.000 0.217 95 A C 0.836 178.509 177.584 0.148 0.000 1.162 95 A CA -0.128 51.998 52.037 0.147 0.000 0.662 95 A CB -0.449 18.686 19.000 0.224 0.000 0.812 95 A HN 0.283 nan 8.150 nan 0.000 0.450 96 F N 2.497 122.432 119.950 -0.025 0.000 2.546 96 F HA 0.086 4.610 4.527 -0.005 0.000 0.388 96 F C 0.434 176.111 175.800 -0.205 0.000 1.051 96 F CA 0.437 58.309 58.000 -0.213 0.000 1.130 96 F CB 0.589 39.279 39.000 -0.517 0.000 1.044 96 F HN 0.370 nan 8.300 nan 0.000 0.553 97 D N 4.531 124.628 120.400 -0.506 0.000 2.582 97 D HA 0.048 4.684 4.640 -0.005 0.000 0.246 97 D C -0.129 176.003 176.300 -0.281 0.000 1.334 97 D CA -0.350 53.513 54.000 -0.228 0.000 0.805 97 D CB -0.863 39.870 40.800 -0.110 0.000 1.087 97 D HN 0.145 nan 8.370 nan 0.000 0.499 98 F N 1.218 120.849 119.950 -0.531 0.000 2.589 98 F HA 0.212 4.735 4.527 -0.006 0.000 0.352 98 F C 1.237 176.959 175.800 -0.129 0.000 1.168 98 F CA -0.161 57.628 58.000 -0.351 0.000 1.353 98 F CB 0.403 39.059 39.000 -0.574 0.000 1.116 98 F HN -0.106 nan 8.300 nan 0.000 0.608 99 I N 4.729 125.373 120.570 0.123 0.000 2.474 99 I HA 0.233 4.399 4.170 -0.005 0.000 0.294 99 I C -1.657 174.508 176.117 0.080 0.000 1.005 99 I CA -1.781 59.518 61.300 -0.003 0.000 1.113 99 I CB 2.606 40.460 38.000 -0.244 0.000 1.289 99 I HN 0.375 nan 8.210 nan 0.000 0.436 100 P HA 0.085 nan 4.420 nan 0.000 0.262 100 P C 0.938 178.412 177.300 0.290 0.000 1.304 100 P CA 0.240 63.422 63.100 0.137 0.000 0.859 100 P CB 0.231 32.036 31.700 0.175 0.000 1.310 101 T N 0.450 115.204 114.554 0.333 0.000 2.803 101 T HA -0.120 4.227 4.350 -0.005 0.000 0.269 101 T C 1.819 176.674 174.700 0.258 0.000 1.052 101 T CA 2.135 64.434 62.100 0.330 0.000 1.136 101 T CB -0.670 68.431 68.868 0.387 0.000 0.864 101 T HN 0.325 nan 8.240 nan 0.000 0.467 102 S N 0.239 116.161 115.700 0.370 0.000 2.607 102 S HA 0.250 4.717 4.470 -0.005 0.000 0.224 102 S C 0.498 175.199 174.600 0.167 0.000 0.969 102 S CA -0.191 58.178 58.200 0.283 0.000 0.927 102 S CB -0.590 62.800 63.200 0.317 0.000 0.772 102 S HN 0.387 nan 8.310 nan 0.000 0.533 103 M N 1.856 121.575 119.600 0.199 0.000 2.528 103 M HA 0.516 4.992 4.480 -0.005 0.000 0.321 103 M C -1.107 175.329 176.300 0.226 0.000 1.153 103 M CA -0.664 54.732 55.300 0.161 0.000 0.951 103 M CB 1.686 34.344 32.600 0.096 0.000 1.705 103 M HN -0.009 nan 8.290 nan 0.000 0.451 104 D N 1.865 122.341 120.400 0.127 0.000 2.272 104 D HA 0.501 5.138 4.640 -0.005 0.000 0.247 104 D C -2.487 173.732 176.300 -0.135 0.000 0.990 104 D CA -1.271 52.751 54.000 0.037 0.000 0.931 104 D CB 1.219 42.065 40.800 0.077 0.000 1.195 104 D HN 0.155 nan 8.370 nan 0.000 0.477 105 P HA 0.065 nan 4.420 nan 0.000 0.270 105 P C -1.662 175.534 177.300 -0.174 0.000 1.223 105 P CA -0.686 62.192 63.100 -0.370 0.000 0.785 105 P CB 0.331 31.622 31.700 -0.681 0.000 0.923 106 P HA -0.015 nan 4.420 nan 0.000 0.230 106 P C 0.745 178.034 177.300 -0.018 0.000 1.168 106 P CA 1.084 64.154 63.100 -0.051 0.000 0.793 106 P CB 0.306 32.001 31.700 -0.009 0.000 0.851 107 E N 0.610 120.825 120.200 0.026 0.000 2.160 107 E HA -0.201 4.146 4.350 -0.005 0.000 0.195 107 E C 2.308 179.017 176.600 0.182 0.000 0.991 107 E CA 0.978 57.439 56.400 0.101 0.000 0.810 107 E CB -0.758 29.022 29.700 0.134 0.000 0.742 107 E HN 0.372 nan 8.360 nan 0.000 0.466 108 Q N 0.695 120.557 119.800 0.103 0.000 2.096 108 Q HA -0.259 4.077 4.340 -0.005 0.000 0.204 108 Q C 1.805 177.877 176.000 0.119 0.000 0.982 108 Q CA 1.423 57.301 55.803 0.125 0.000 0.850 108 Q CB 0.037 28.753 28.738 -0.036 0.000 0.901 108 Q HN 0.061 nan 8.270 nan 0.000 0.422 109 R N 0.959 121.460 120.500 0.002 0.000 2.136 109 R HA -0.257 4.080 4.340 -0.005 0.000 0.242 109 R C 2.419 178.703 176.300 -0.027 0.000 1.131 109 R CA 2.545 58.627 56.100 -0.031 0.000 0.937 109 R CB -0.785 29.481 30.300 -0.056 0.000 0.863 109 R HN 0.632 nan 8.270 nan 0.000 0.435 110 Q N -0.929 118.823 119.800 -0.081 0.000 2.152 110 Q HA -0.211 4.126 4.340 -0.005 0.000 0.206 110 Q C 1.784 177.620 176.000 -0.274 0.000 0.985 110 Q CA 1.967 57.635 55.803 -0.225 0.000 0.863 110 Q CB -0.570 27.940 28.738 -0.379 0.000 0.904 110 Q HN 0.378 nan 8.270 nan 0.000 0.422 111 F N 0.818 120.762 119.950 -0.010 0.000 2.325 111 F HA 0.089 4.613 4.527 -0.005 0.000 0.299 111 F C 2.529 178.330 175.800 0.003 0.000 1.090 111 F CA 0.697 58.699 58.000 0.004 0.000 1.392 111 F CB -0.045 38.967 39.000 0.020 0.000 1.053 111 F HN -0.056 nan 8.300 nan 0.000 0.521 112 R N 0.247 120.830 120.500 0.139 0.000 2.081 112 R HA -0.119 4.218 4.340 -0.005 0.000 0.235 112 R C 2.496 178.818 176.300 0.036 0.000 1.131 112 R CA 1.155 57.297 56.100 0.071 0.000 0.960 112 R CB -0.711 29.599 30.300 0.017 0.000 0.856 112 R HN 0.280 nan 8.270 nan 0.000 0.436 113 A N 1.196 124.018 122.820 0.003 0.000 1.908 113 A HA -0.194 4.123 4.320 -0.005 0.000 0.218 113 A C 2.058 179.639 177.584 -0.005 0.000 1.181 113 A CA 1.268 53.296 52.037 -0.014 0.000 0.627 113 A CB -0.515 18.459 19.000 -0.043 0.000 0.818 113 A HN 0.260 nan 8.150 nan 0.000 0.445 114 L N -0.307 120.914 121.223 -0.003 0.000 2.056 114 L HA -0.014 4.322 4.340 -0.005 0.000 0.207 114 L C 2.663 179.557 176.870 0.041 0.000 1.078 114 L CA 2.192 57.040 54.840 0.012 0.000 0.749 114 L CB -0.833 41.238 42.059 0.020 0.000 0.901 114 L HN 0.334 nan 8.230 nan 0.000 0.433 115 A N -0.555 122.305 122.820 0.067 0.000 1.978 115 A HA -0.231 4.086 4.320 -0.005 0.000 0.220 115 A C 2.075 179.688 177.584 0.049 0.000 1.170 115 A CA 1.819 53.897 52.037 0.069 0.000 0.636 115 A CB -0.827 18.223 19.000 0.082 0.000 0.810 115 A HN 0.613 nan 8.150 nan 0.000 0.448 116 N N -0.343 118.379 118.700 0.037 0.000 2.453 116 N HA -0.107 4.629 4.740 -0.005 0.000 0.183 116 N C 1.654 177.179 175.510 0.024 0.000 1.041 116 N CA 0.942 54.011 53.050 0.032 0.000 0.900 116 N CB -0.242 38.260 38.487 0.025 0.000 0.961 116 N HN 0.677 nan 8.380 nan 0.000 0.443 117 Q N -0.249 119.562 119.800 0.018 0.000 2.369 117 Q HA -0.029 4.307 4.340 -0.005 0.000 0.206 117 Q C 1.831 177.838 176.000 0.011 0.000 0.963 117 Q CA 0.741 56.550 55.803 0.009 0.000 0.894 117 Q CB 0.408 29.148 28.738 0.003 0.000 0.965 117 Q HN 0.338 nan 8.270 nan 0.000 0.475 118 V N -3.865 116.063 119.914 0.023 0.000 3.523 118 V HA 0.101 4.217 4.120 -0.005 0.000 0.255 118 V C 1.409 177.523 176.094 0.034 0.000 1.226 118 V CA 0.469 62.782 62.300 0.021 0.000 1.092 118 V CB 0.635 32.475 31.823 0.029 0.000 0.817 118 V HN 0.182 nan 8.190 nan 0.000 0.458 119 V N -2.103 117.838 119.914 0.045 0.000 3.398 119 V HA 0.671 4.788 4.120 -0.005 0.000 0.298 119 V C 1.128 177.261 176.094 0.065 0.000 1.496 119 V CA 0.189 62.521 62.300 0.053 0.000 1.044 119 V CB -0.583 31.273 31.823 0.055 0.000 0.880 119 V HN 0.444 nan 8.190 nan 0.000 0.443 120 G N 0.211 109.046 108.800 0.059 0.000 2.630 120 G HA2 0.235 4.192 3.960 -0.005 0.000 0.236 120 G HA3 0.235 4.192 3.960 -0.005 0.000 0.236 120 G C 0.528 175.459 174.900 0.053 0.000 1.248 120 G CA 0.455 45.601 45.100 0.077 0.000 0.844 120 G HN 0.243 nan 8.290 nan 0.000 0.588 121 M N 2.207 121.805 119.600 -0.004 0.000 2.088 121 M HA -0.081 4.395 4.480 -0.005 0.000 0.256 121 M C -0.147 176.109 176.300 -0.073 0.000 1.071 121 M CA 2.092 57.305 55.300 -0.145 0.000 1.097 121 M CB -1.065 31.306 32.600 -0.381 0.000 1.315 121 M HN 0.381 nan 8.290 nan 0.000 0.406 122 P HA -0.163 nan 4.420 nan 0.000 0.215 122 P C 1.687 178.975 177.300 -0.019 0.000 1.157 122 P CA 1.771 64.849 63.100 -0.037 0.000 0.874 122 P CB -0.229 31.453 31.700 -0.030 0.000 0.790 123 V N -0.928 118.981 119.914 -0.009 0.000 2.515 123 V HA -0.174 3.943 4.120 -0.005 0.000 0.250 123 V C 2.420 178.516 176.094 0.004 0.000 1.058 123 V CA 1.561 63.860 62.300 -0.001 0.000 1.064 123 V CB -1.206 30.620 31.823 0.005 0.000 0.675 123 V HN -0.015 nan 8.190 nan 0.000 0.461 124 V N 0.231 120.151 119.914 0.010 0.000 2.307 124 V HA -0.227 3.889 4.120 -0.005 0.000 0.245 124 V C 2.343 178.445 176.094 0.014 0.000 1.045 124 V CA 2.122 64.435 62.300 0.021 0.000 1.024 124 V CB -0.681 31.167 31.823 0.040 0.000 0.651 124 V HN 0.542 nan 8.190 nan 0.000 0.449 125 D N 0.100 120.500 120.400 -0.000 0.000 2.133 125 D HA -0.173 4.464 4.640 -0.005 0.000 0.195 125 D C 2.196 178.501 176.300 0.007 0.000 0.997 125 D CA 1.096 55.097 54.000 0.002 0.000 0.840 125 D CB -0.236 40.556 40.800 -0.012 0.000 0.947 125 D HN 0.366 nan 8.370 nan 0.000 0.452 126 K N 0.459 120.861 120.400 0.003 0.000 2.103 126 K HA -0.071 4.246 4.320 -0.005 0.000 0.207 126 K C 2.201 178.807 176.600 0.009 0.000 1.048 126 K CA 0.394 56.683 56.287 0.003 0.000 0.930 126 K CB -0.301 32.198 32.500 -0.002 0.000 0.716 126 K HN 0.290 nan 8.250 nan 0.000 0.444 127 L N 1.002 122.233 121.223 0.012 0.000 2.599 127 L HA -0.030 4.306 4.340 -0.005 0.000 0.230 127 L C 2.191 179.082 176.870 0.035 0.000 1.141 127 L CA 0.087 54.937 54.840 0.017 0.000 0.877 127 L CB -0.142 41.924 42.059 0.011 0.000 1.009 127 L HN 0.111 nan 8.230 nan 0.000 0.447 128 E N 1.079 121.303 120.200 0.039 0.000 2.035 128 E HA -0.276 4.071 4.350 -0.005 0.000 0.204 128 E C 1.653 178.292 176.600 0.065 0.000 1.025 128 E CA 1.819 58.252 56.400 0.056 0.000 0.835 128 E CB -0.314 29.413 29.700 0.045 0.000 0.764 128 E HN 0.641 nan 8.360 nan 0.000 0.457 129 N N 0.143 118.872 118.700 0.049 0.000 2.104 129 N HA -0.215 4.521 4.740 -0.005 0.000 0.190 129 N C 2.038 177.584 175.510 0.061 0.000 1.024 129 N CA 1.051 54.132 53.050 0.050 0.000 0.853 129 N CB -0.148 38.360 38.487 0.035 0.000 1.008 129 N HN -0.031 nan 8.380 nan 0.000 0.424 130 R N 1.690 122.222 120.500 0.052 0.000 2.080 130 R HA -0.029 4.308 4.340 -0.005 0.000 0.236 130 R C 1.962 178.318 176.300 0.092 0.000 1.137 130 R CA 1.291 57.423 56.100 0.054 0.000 0.943 130 R CB -0.689 29.628 30.300 0.028 0.000 0.846 130 R HN 0.223 nan 8.270 nan 0.000 0.431 131 I N 0.526 121.159 120.570 0.105 0.000 2.151 131 I HA -0.350 3.816 4.170 -0.005 0.000 0.243 131 I C 2.716 179.011 176.117 0.298 0.000 1.080 131 I CA 1.917 63.332 61.300 0.192 0.000 1.339 131 I CB -0.489 37.615 38.000 0.174 0.000 1.039 131 I HN 0.456 nan 8.210 nan 0.000 0.409 132 Q N 0.741 120.657 119.800 0.194 0.000 2.084 132 Q HA -0.266 4.071 4.340 -0.005 0.000 0.202 132 Q C 2.275 178.358 176.000 0.138 0.000 0.978 132 Q CA 1.558 57.456 55.803 0.160 0.000 0.844 132 Q CB -0.082 28.718 28.738 0.105 0.000 0.898 132 Q HN 0.377 nan 8.270 nan 0.000 0.426 133 E N 0.500 120.771 120.200 0.118 0.000 2.085 133 E HA -0.204 4.143 4.350 -0.005 0.000 0.194 133 E C 2.050 178.722 176.600 0.120 0.000 0.994 133 E CA 1.009 57.467 56.400 0.095 0.000 0.801 133 E CB -0.203 29.540 29.700 0.073 0.000 0.743 133 E HN 0.364 nan 8.360 nan 0.000 0.453 134 L N 0.828 122.155 121.223 0.173 0.000 2.046 134 L HA -0.070 4.267 4.340 -0.005 0.000 0.208 134 L C 2.358 179.373 176.870 0.241 0.000 1.077 134 L CA 2.276 57.243 54.840 0.211 0.000 0.747 134 L CB -0.912 41.303 42.059 0.261 0.000 0.896 134 L HN 0.106 nan 8.230 nan 0.000 0.432 135 A N -1.207 121.768 122.820 0.258 0.000 1.877 135 A HA -0.246 4.071 4.320 -0.005 0.000 0.216 135 A C 2.401 180.048 177.584 0.105 0.000 1.186 135 A CA 1.904 53.992 52.037 0.084 0.000 0.620 135 A CB -1.518 17.438 19.000 -0.074 0.000 0.822 135 A HN 0.624 nan 8.150 nan 0.000 0.443 136 C N -1.176 118.169 119.300 0.075 0.000 2.413 136 C HA -0.073 4.384 4.460 -0.005 0.000 0.276 136 C C 3.298 178.307 174.990 0.032 0.000 1.248 136 C CA 1.368 60.403 59.018 0.029 0.000 1.742 136 C CB -1.204 26.553 27.740 0.028 0.000 2.017 136 C HN 0.698 nan 8.230 nan 0.000 0.481 137 S N 0.335 116.074 115.700 0.065 0.000 2.353 137 S HA -0.123 4.344 4.470 -0.005 0.000 0.222 137 S C 1.845 176.487 174.600 0.070 0.000 1.035 137 S CA 1.341 59.578 58.200 0.061 0.000 1.025 137 S CB -0.270 62.974 63.200 0.074 0.000 0.902 137 S HN 0.445 nan 8.310 nan 0.000 0.440 138 L N 1.287 122.582 121.223 0.120 0.000 2.046 138 L HA -0.023 4.314 4.340 -0.005 0.000 0.208 138 L C 2.358 179.298 176.870 0.117 0.000 1.077 138 L CA 1.612 56.549 54.840 0.161 0.000 0.747 138 L CB -1.380 40.844 42.059 0.275 0.000 0.896 138 L HN 0.443 nan 8.230 nan 0.000 0.432 139 I N -0.399 120.197 120.570 0.044 0.000 2.202 139 I HA -0.263 3.904 4.170 -0.005 0.000 0.242 139 I C 2.515 178.512 176.117 -0.201 0.000 1.091 139 I CA 0.963 62.145 61.300 -0.196 0.000 1.368 139 I CB -0.213 37.597 38.000 -0.316 0.000 1.058 139 I HN 0.202 nan 8.210 nan 0.000 0.410 140 E N 0.878 121.012 120.200 -0.109 0.000 2.153 140 E HA -0.229 4.118 4.350 -0.005 0.000 0.194 140 E C 2.207 178.787 176.600 -0.034 0.000 0.988 140 E CA 1.684 58.035 56.400 -0.082 0.000 0.811 140 E CB -0.199 29.474 29.700 -0.044 0.000 0.746 140 E HN 0.278 nan 8.360 nan 0.000 0.466 141 S N -1.057 114.643 115.700 -0.001 0.000 2.402 141 S HA -0.024 4.443 4.470 -0.005 0.000 0.229 141 S C 1.817 176.448 174.600 0.052 0.000 1.021 141 S CA 0.948 59.166 58.200 0.030 0.000 0.974 141 S CB -0.170 63.058 63.200 0.047 0.000 0.800 141 S HN 0.359 nan 8.310 nan 0.000 0.484 142 L N 0.774 122.032 121.223 0.059 0.000 2.162 142 L HA 0.135 4.472 4.340 -0.005 0.000 0.205 142 L C 2.733 179.746 176.870 0.238 0.000 1.086 142 L CA 0.849 55.780 54.840 0.153 0.000 0.778 142 L CB -0.573 41.599 42.059 0.190 0.000 0.928 142 L HN 0.285 nan 8.230 nan 0.000 0.446 143 R N 0.879 121.414 120.500 0.058 0.000 2.191 143 R HA -0.231 4.105 4.340 -0.005 0.000 0.248 143 R C -0.550 175.918 176.300 0.280 0.000 1.127 143 R CA 2.686 58.829 56.100 0.072 0.000 0.943 143 R CB -1.408 28.824 30.300 -0.113 0.000 0.891 143 R HN 0.255 nan 8.270 nan 0.000 0.439 144 P HA -0.110 nan 4.420 nan 0.000 0.223 144 P C 0.412 177.753 177.300 0.067 0.000 1.151 144 P CA 1.308 64.470 63.100 0.103 0.000 0.787 144 P CB -0.057 31.672 31.700 0.049 0.000 0.788 145 Q N -0.484 119.355 119.800 0.065 0.000 2.297 145 Q HA 0.050 4.387 4.340 -0.005 0.000 0.204 145 Q C 1.588 177.431 176.000 -0.261 0.000 0.962 145 Q CA 0.949 56.721 55.803 -0.052 0.000 0.879 145 Q CB -0.585 28.142 28.738 -0.018 0.000 0.947 145 Q HN 0.282 nan 8.270 nan 0.000 0.462 146 G N 1.776 110.299 108.800 -0.461 0.000 2.168 146 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.257 146 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.257 146 G C -0.043 173.821 174.900 -1.726 0.000 0.997 146 G CA 0.902 45.223 45.100 -1.298 0.000 0.708 146 G HN 0.497 nan 8.290 nan 0.000 0.520 147 Q N -2.158 116.706 119.800 -1.559 0.000 2.829 147 Q HA 0.604 4.941 4.340 -0.005 0.000 0.296 147 Q C -0.436 175.374 176.000 -0.317 0.000 0.893 147 Q CA -0.702 54.547 55.803 -0.925 0.000 0.772 147 Q CB 1.532 30.018 28.738 -0.420 0.000 1.489 147 Q HN 1.718 nan 8.270 nan 0.000 0.420 148 C N -0.280 119.030 119.300 0.016 0.000 2.969 148 C HA 0.542 4.999 4.460 -0.005 0.000 0.338 148 C C -1.787 173.337 174.990 0.223 0.000 1.217 148 C CA -0.853 58.287 59.018 0.203 0.000 1.146 148 C CB 1.143 29.147 27.740 0.439 0.000 1.366 148 C HN 0.959 nan 8.230 nan 0.000 0.488 149 N N 1.281 120.088 118.700 0.178 0.000 2.527 149 N HA 0.257 4.994 4.740 -0.005 0.000 0.236 149 N C 0.532 176.164 175.510 0.203 0.000 0.999 149 N CA -0.379 52.770 53.050 0.165 0.000 0.935 149 N CB 0.562 39.108 38.487 0.098 0.000 1.132 149 N HN 0.786 nan 8.380 nan 0.000 0.511 150 F N 3.493 123.501 119.950 0.096 0.000 2.111 150 F HA -0.328 4.196 4.527 -0.005 0.000 0.300 150 F C 2.513 178.359 175.800 0.076 0.000 1.088 150 F CA 2.487 60.532 58.000 0.074 0.000 1.243 150 F CB -0.477 38.491 39.000 -0.053 0.000 0.996 150 F HN 0.583 nan 8.300 nan 0.000 0.483 151 T N -1.283 113.285 114.554 0.024 0.000 2.652 151 T HA -0.289 4.057 4.350 -0.005 0.000 0.267 151 T C 1.684 176.325 174.700 -0.099 0.000 1.039 151 T CA 1.726 63.782 62.100 -0.072 0.000 1.153 151 T CB -0.919 67.944 68.868 -0.008 0.000 0.863 151 T HN 0.669 nan 8.240 nan 0.000 0.428 152 E N 0.734 120.914 120.200 -0.033 0.000 2.318 152 E HA -0.014 4.333 4.350 -0.005 0.000 0.193 152 E C 1.379 177.971 176.600 -0.014 0.000 0.998 152 E CA 0.755 57.142 56.400 -0.021 0.000 0.859 152 E CB -0.078 29.627 29.700 0.009 0.000 0.812 152 E HN 0.438 nan 8.360 nan 0.000 0.492 153 D N -0.634 119.771 120.400 0.009 0.000 2.305 153 D HA -0.010 4.626 4.640 -0.005 0.000 0.206 153 D C 0.719 177.068 176.300 0.081 0.000 0.974 153 D CA 0.808 54.849 54.000 0.069 0.000 0.871 153 D CB 0.250 41.143 40.800 0.155 0.000 0.947 153 D HN 0.266 nan 8.370 nan 0.000 0.516 154 Y N -0.020 120.129 120.300 -0.250 0.000 3.147 154 Y HA 0.330 4.877 4.550 -0.005 0.000 0.219 154 Y C 2.025 177.686 175.900 -0.398 0.000 1.021 154 Y CA 0.618 58.525 58.100 -0.321 0.000 1.440 154 Y CB -0.267 37.939 38.460 -0.423 0.000 1.472 154 Y HN -0.151 nan 8.280 nan 0.000 0.408 155 A N 1.023 123.426 122.820 -0.695 0.000 1.915 155 A HA -0.274 4.042 4.320 -0.005 0.000 0.220 155 A C 1.828 179.297 177.584 -0.191 0.000 1.198 155 A CA 2.642 54.439 52.037 -0.400 0.000 0.647 155 A CB -0.711 18.080 19.000 -0.348 0.000 0.825 155 A HN 0.707 nan 8.150 nan 0.000 0.456 156 E N -0.973 119.122 120.200 -0.176 0.000 2.030 156 E HA -0.075 4.272 4.350 -0.005 0.000 0.189 156 E C -0.469 176.070 176.600 -0.102 0.000 0.974 156 E CA 0.703 57.040 56.400 -0.105 0.000 0.807 156 E CB -0.654 29.003 29.700 -0.071 0.000 0.771 156 E HN 0.528 nan 8.360 nan 0.000 0.451 157 P HA -0.211 nan 4.420 nan 0.000 0.215 157 P C 1.441 178.689 177.300 -0.087 0.000 1.153 157 P CA 1.200 64.255 63.100 -0.075 0.000 0.853 157 P CB -0.090 31.581 31.700 -0.048 0.000 0.788 158 F N 3.675 123.397 119.950 -0.379 0.000 2.010 158 F HA -0.102 4.421 4.527 -0.005 0.000 0.296 158 F C -0.744 174.939 175.800 -0.195 0.000 1.146 158 F CA 1.999 59.753 58.000 -0.411 0.000 1.181 158 F CB -2.183 36.267 39.000 -0.916 0.000 0.965 158 F HN -0.029 nan 8.300 nan 0.000 0.480 159 P HA -0.112 nan 4.420 nan 0.000 0.219 159 P C 2.225 179.406 177.300 -0.198 0.000 1.150 159 P CA 1.813 64.641 63.100 -0.453 0.000 0.814 159 P CB -0.188 31.376 31.700 -0.227 0.000 0.787 160 I N 0.034 120.534 120.570 -0.117 0.000 2.202 160 I HA -0.195 3.971 4.170 -0.005 0.000 0.242 160 I C 2.865 178.990 176.117 0.014 0.000 1.091 160 I CA 1.405 62.693 61.300 -0.019 0.000 1.368 160 I CB -0.515 37.472 38.000 -0.022 0.000 1.058 160 I HN -0.141 nan 8.210 nan 0.000 0.410 161 R N 0.663 121.138 120.500 -0.042 0.000 2.096 161 R HA -0.122 4.215 4.340 -0.005 0.000 0.235 161 R C 2.326 178.597 176.300 -0.047 0.000 1.127 161 R CA 1.320 57.403 56.100 -0.029 0.000 0.968 161 R CB -0.323 29.961 30.300 -0.027 0.000 0.861 161 R HN 0.365 nan 8.270 nan 0.000 0.440 162 I N -0.048 120.458 120.570 -0.107 0.000 2.179 162 I HA -0.311 3.855 4.170 -0.005 0.000 0.242 162 I C 2.209 178.298 176.117 -0.047 0.000 1.088 162 I CA 1.347 62.580 61.300 -0.112 0.000 1.357 162 I CB -0.290 37.575 38.000 -0.226 0.000 1.051 162 I HN 0.092 nan 8.210 nan 0.000 0.409 163 F N 1.339 121.215 119.950 -0.122 0.000 2.075 163 F HA -0.267 4.257 4.527 -0.005 0.000 0.297 163 F C 2.567 178.339 175.800 -0.046 0.000 1.113 163 F CA 1.676 59.629 58.000 -0.079 0.000 1.218 163 F CB -0.206 38.748 39.000 -0.078 0.000 0.984 163 F HN -0.070 nan 8.300 nan 0.000 0.472 164 M N 0.069 119.649 119.600 -0.034 0.000 2.149 164 M HA -0.210 4.267 4.480 -0.005 0.000 0.261 164 M C 2.393 178.604 176.300 -0.148 0.000 1.064 164 M CA 1.558 56.808 55.300 -0.085 0.000 1.102 164 M CB -1.695 30.923 32.600 0.030 0.000 1.369 164 M HN 0.442 nan 8.290 nan 0.000 0.408 165 L N 0.222 121.375 121.223 -0.117 0.000 2.027 165 L HA -0.178 4.159 4.340 -0.005 0.000 0.206 165 L C 2.360 179.143 176.870 -0.145 0.000 1.074 165 L CA 1.135 55.915 54.840 -0.100 0.000 0.745 165 L CB -0.432 41.587 42.059 -0.065 0.000 0.898 165 L HN 0.224 nan 8.230 nan 0.000 0.433 166 L N 0.668 121.770 121.223 -0.202 0.000 2.046 166 L HA -0.091 4.246 4.340 -0.005 0.000 0.208 166 L C 2.403 179.106 176.870 -0.279 0.000 1.077 166 L CA 2.115 56.826 54.840 -0.216 0.000 0.747 166 L CB -0.973 40.952 42.059 -0.223 0.000 0.896 166 L HN 0.277 nan 8.230 nan 0.000 0.432 167 A N -0.822 121.727 122.820 -0.453 0.000 2.167 167 A HA 0.338 4.655 4.320 -0.005 0.000 0.214 167 A C 1.690 179.158 177.584 -0.193 0.000 1.151 167 A CA 0.643 52.441 52.037 -0.397 0.000 0.735 167 A CB -1.054 17.564 19.000 -0.638 0.000 0.802 167 A HN 0.994 nan 8.150 nan 0.000 0.467 168 G N -0.828 107.879 108.800 -0.154 0.000 2.246 168 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.273 168 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.273 168 G C -0.171 174.702 174.900 -0.044 0.000 1.055 168 G CA 0.463 45.514 45.100 -0.082 0.000 0.851 168 G HN 0.497 nan 8.290 nan 0.000 0.500 169 L N 0.855 122.060 121.223 -0.030 0.000 2.329 169 L HA 0.504 4.841 4.340 -0.005 0.000 0.279 169 L C -1.615 175.289 176.870 0.056 0.000 1.014 169 L CA -2.496 52.373 54.840 0.049 0.000 0.814 169 L CB 1.989 44.127 42.059 0.132 0.000 1.257 169 L HN -0.040 nan 8.230 nan 0.000 0.424 170 P HA 0.018 nan 4.420 nan 0.000 0.264 170 P C -0.064 177.279 177.300 0.071 0.000 1.193 170 P CA 0.041 63.178 63.100 0.061 0.000 0.763 170 P CB 0.870 32.608 31.700 0.063 0.000 0.810 171 E N 1.943 122.172 120.200 0.047 0.000 2.265 171 E HA -0.210 4.136 4.350 -0.005 0.000 0.196 171 E C 1.695 178.323 176.600 0.046 0.000 0.996 171 E CA 1.062 57.488 56.400 0.043 0.000 0.832 171 E CB 0.032 29.748 29.700 0.028 0.000 0.756 171 E HN 0.677 nan 8.360 nan 0.000 0.491 172 E N 0.976 121.206 120.200 0.050 0.000 2.265 172 E HA -0.215 4.132 4.350 -0.005 0.000 0.196 172 E C 0.931 177.569 176.600 0.063 0.000 0.996 172 E CA 1.103 57.532 56.400 0.048 0.000 0.832 172 E CB 0.006 29.731 29.700 0.043 0.000 0.756 172 E HN 0.138 nan 8.360 nan 0.000 0.491 173 D N 0.873 121.325 120.400 0.087 0.000 2.347 173 D HA 0.045 4.682 4.640 -0.005 0.000 0.213 173 D C 1.915 178.247 176.300 0.053 0.000 0.985 173 D CA 0.278 54.339 54.000 0.102 0.000 0.879 173 D CB -0.005 40.903 40.800 0.181 0.000 0.919 173 D HN 0.322 nan 8.370 nan 0.000 0.526 174 I N 1.537 122.132 120.570 0.043 0.000 2.118 174 I HA -0.255 3.912 4.170 -0.005 0.000 0.241 174 I C -0.557 175.576 176.117 0.027 0.000 1.070 174 I CA 1.393 62.706 61.300 0.022 0.000 1.327 174 I CB -1.483 36.532 38.000 0.024 0.000 1.034 174 I HN 0.006 nan 8.210 nan 0.000 0.405 175 P HA -0.227 nan 4.420 nan 0.000 0.216 175 P C 1.515 178.878 177.300 0.105 0.000 1.153 175 P CA 1.729 64.867 63.100 0.064 0.000 0.858 175 P CB -0.077 31.656 31.700 0.055 0.000 0.789 176 H N -0.632 118.442 119.070 0.008 0.000 2.326 176 H HA -0.026 4.527 4.556 -0.005 0.000 0.301 176 H C 1.818 177.160 175.328 0.023 0.000 1.081 176 H CA 1.440 57.502 56.048 0.023 0.000 1.334 176 H CB -1.013 28.743 29.762 -0.009 0.000 1.385 176 H HN -0.052 nan 8.280 nan 0.000 0.504 177 L N -0.048 121.091 121.223 -0.141 0.000 2.017 177 L HA -0.155 4.182 4.340 -0.005 0.000 0.208 177 L C 2.548 179.316 176.870 -0.169 0.000 1.073 177 L CA 1.678 56.363 54.840 -0.258 0.000 0.745 177 L CB -0.483 41.426 42.059 -0.250 0.000 0.894 177 L HN 0.212 nan 8.230 nan 0.000 0.432 178 K N 0.040 120.394 120.400 -0.077 0.000 2.103 178 K HA -0.261 4.056 4.320 -0.005 0.000 0.207 178 K C 2.120 178.697 176.600 -0.038 0.000 1.048 178 K CA 1.619 57.876 56.287 -0.049 0.000 0.930 178 K CB -0.634 31.861 32.500 -0.009 0.000 0.716 178 K HN 0.276 nan 8.250 nan 0.000 0.444 179 Y N 0.733 120.969 120.300 -0.106 0.000 2.145 179 Y HA -0.147 4.400 4.550 -0.005 0.000 0.286 179 Y C 1.599 177.430 175.900 -0.116 0.000 1.145 179 Y CA 1.879 59.926 58.100 -0.089 0.000 1.148 179 Y CB -0.323 38.091 38.460 -0.078 0.000 0.981 179 Y HN 0.026 nan 8.280 nan 0.000 0.507 180 L N -0.046 120.961 121.223 -0.360 0.000 2.042 180 L HA -0.238 4.098 4.340 -0.005 0.000 0.210 180 L C 2.628 179.313 176.870 -0.310 0.000 1.076 180 L CA 2.093 56.676 54.840 -0.427 0.000 0.749 180 L CB -1.262 40.590 42.059 -0.344 0.000 0.893 180 L HN 0.434 nan 8.230 nan 0.000 0.432 181 T N -3.921 110.506 114.554 -0.210 0.000 2.821 181 T HA -0.164 4.182 4.350 -0.005 0.000 0.267 181 T C 1.430 176.096 174.700 -0.057 0.000 1.046 181 T CA 1.341 63.375 62.100 -0.111 0.000 1.139 181 T CB -0.388 68.419 68.868 -0.103 0.000 0.871 181 T HN 0.195 nan 8.240 nan 0.000 0.454 182 D N 1.125 121.459 120.400 -0.109 0.000 2.219 182 D HA -0.038 4.599 4.640 -0.005 0.000 0.205 182 D C 2.339 178.596 176.300 -0.072 0.000 0.970 182 D CA 0.674 54.638 54.000 -0.060 0.000 0.851 182 D CB -0.278 40.485 40.800 -0.061 0.000 0.943 182 D HN 0.318 nan 8.370 nan 0.000 0.488 183 Q N -0.512 119.157 119.800 -0.219 0.000 2.369 183 Q HA 0.091 4.427 4.340 -0.005 0.000 0.206 183 Q C 1.933 177.950 176.000 0.028 0.000 0.963 183 Q CA 0.502 56.193 55.803 -0.186 0.000 0.894 183 Q CB -0.116 28.385 28.738 -0.394 0.000 0.965 183 Q HN 0.432 nan 8.270 nan 0.000 0.475 184 M N -0.576 119.097 119.600 0.121 0.000 2.514 184 M HA -0.024 4.453 4.480 -0.005 0.000 0.258 184 M C 1.578 178.249 176.300 0.618 0.000 1.119 184 M CA 1.362 56.939 55.300 0.463 0.000 1.111 184 M CB 0.241 33.102 32.600 0.434 0.000 1.390 184 M HN 0.208 nan 8.290 nan 0.000 0.475 185 T N -2.441 112.327 114.554 0.358 0.000 3.026 185 T HA 0.210 4.557 4.350 -0.005 0.000 0.245 185 T C 1.057 175.926 174.700 0.282 0.000 1.004 185 T CA -0.193 62.089 62.100 0.304 0.000 1.069 185 T CB 0.215 69.208 68.868 0.209 0.000 1.005 185 T HN 0.243 nan 8.240 nan 0.000 0.472 186 R N 2.241 122.867 120.500 0.210 0.000 2.638 186 R HA 0.320 4.657 4.340 -0.005 0.000 0.261 186 R C -2.965 173.393 176.300 0.096 0.000 1.515 186 R CA -1.627 54.596 56.100 0.206 0.000 1.623 186 R CB 1.154 31.550 30.300 0.161 0.000 1.347 186 R HN 0.363 nan 8.270 nan 0.000 0.705 187 P HA -0.081 nan 4.420 nan 0.000 0.264 187 P C -0.358 176.928 177.300 -0.024 0.000 1.183 187 P CA 0.461 63.541 63.100 -0.033 0.000 0.763 187 P CB 0.831 32.482 31.700 -0.082 0.000 0.807 188 D N 1.277 121.677 120.400 0.000 0.000 2.349 188 D HA 0.135 4.772 4.640 -0.005 0.000 0.214 188 D C 1.413 177.725 176.300 0.020 0.000 1.063 188 D CA 0.336 54.352 54.000 0.026 0.000 0.847 188 D CB -0.203 40.634 40.800 0.062 0.000 0.933 188 D HN 0.606 nan 8.370 nan 0.000 0.513 189 G N 0.342 109.145 108.800 0.004 0.000 2.259 189 G HA2 -0.358 3.599 3.960 -0.005 0.000 0.217 189 G HA3 -0.358 3.599 3.960 -0.005 0.000 0.217 189 G C 1.330 176.250 174.900 0.033 0.000 1.001 189 G CA 0.565 45.669 45.100 0.007 0.000 0.627 189 G HN 0.618 nan 8.290 nan 0.000 0.501 190 S N 0.035 115.777 115.700 0.069 0.000 2.442 190 S HA 0.266 4.732 4.470 -0.005 0.000 0.236 190 S C 1.030 175.688 174.600 0.097 0.000 1.007 190 S CA 1.764 60.026 58.200 0.104 0.000 0.965 190 S CB -0.450 62.866 63.200 0.195 0.000 0.773 190 S HN 1.756 nan 8.310 nan 0.000 0.504 191 M N -0.470 119.167 119.600 0.062 0.000 2.490 191 M HA 0.464 4.940 4.480 -0.005 0.000 0.286 191 M C -0.646 175.658 176.300 0.007 0.000 1.185 191 M CA -0.862 54.459 55.300 0.036 0.000 0.912 191 M CB 1.355 33.985 32.600 0.051 0.000 1.744 191 M HN 0.018 nan 8.290 nan 0.000 0.494 192 T N -0.989 113.573 114.554 0.013 0.000 2.766 192 T HA 0.306 4.653 4.350 -0.005 0.000 0.295 192 T C 0.556 175.283 174.700 0.044 0.000 1.024 192 T CA -0.200 61.926 62.100 0.043 0.000 1.018 192 T CB 0.728 69.628 68.868 0.054 0.000 1.002 192 T HN 0.680 nan 8.240 nan 0.000 0.532 193 F N 1.449 121.404 119.950 0.009 0.000 2.126 193 F HA 0.035 4.560 4.527 -0.005 0.000 0.299 193 F C 2.523 178.286 175.800 -0.061 0.000 1.096 193 F CA 1.636 59.648 58.000 0.020 0.000 1.255 193 F CB -1.045 38.025 39.000 0.117 0.000 0.997 193 F HN 0.734 nan 8.300 nan 0.000 0.479 194 A N 0.201 122.988 122.820 -0.054 0.000 1.883 194 A HA -0.244 4.072 4.320 -0.005 0.000 0.217 194 A C 2.124 179.562 177.584 -0.243 0.000 1.186 194 A CA 2.085 54.027 52.037 -0.158 0.000 0.624 194 A CB -0.982 18.020 19.000 0.004 0.000 0.822 194 A HN 0.579 nan 8.150 nan 0.000 0.444 195 E N -0.449 119.660 120.200 -0.151 0.000 2.072 195 E HA -0.062 4.285 4.350 -0.005 0.000 0.191 195 E C 2.332 178.825 176.600 -0.178 0.000 0.985 195 E CA 0.953 57.282 56.400 -0.118 0.000 0.801 195 E CB -0.299 29.375 29.700 -0.043 0.000 0.750 195 E HN 0.616 nan 8.360 nan 0.000 0.452 196 A N 1.547 124.217 122.820 -0.252 0.000 1.933 196 A HA -0.247 4.070 4.320 -0.005 0.000 0.218 196 A C 2.049 179.393 177.584 -0.400 0.000 1.175 196 A CA 1.587 53.447 52.037 -0.294 0.000 0.628 196 A CB -0.359 18.447 19.000 -0.323 0.000 0.814 196 A HN 0.055 nan 8.150 nan 0.000 0.444 197 K N -0.606 119.413 120.400 -0.635 0.000 2.001 197 K HA -0.164 4.153 4.320 -0.005 0.000 0.208 197 K C 1.861 178.077 176.600 -0.640 0.000 1.048 197 K CA 1.444 57.242 56.287 -0.815 0.000 0.932 197 K CB -0.140 31.679 32.500 -1.135 0.000 0.715 197 K HN 0.339 nan 8.250 nan 0.000 0.437 198 E N 0.361 120.334 120.200 -0.378 0.000 2.118 198 E HA -0.178 4.169 4.350 -0.005 0.000 0.195 198 E C 1.846 178.422 176.600 -0.041 0.000 0.992 198 E CA 1.216 57.532 56.400 -0.141 0.000 0.804 198 E CB -0.237 29.422 29.700 -0.068 0.000 0.741 198 E HN 0.424 nan 8.360 nan 0.000 0.458 199 A N 0.919 123.700 122.820 -0.065 0.000 1.930 199 A HA -0.117 4.200 4.320 -0.005 0.000 0.217 199 A C 2.223 179.854 177.584 0.077 0.000 1.175 199 A CA 1.010 53.074 52.037 0.044 0.000 0.627 199 A CB -0.472 18.554 19.000 0.044 0.000 0.815 199 A HN 0.238 nan 8.150 nan 0.000 0.443 200 L N -1.503 119.688 121.223 -0.053 0.000 2.056 200 L HA -0.110 4.227 4.340 -0.005 0.000 0.207 200 L C 2.215 179.229 176.870 0.239 0.000 1.078 200 L CA 1.836 56.684 54.840 0.014 0.000 0.749 200 L CB -0.781 41.210 42.059 -0.113 0.000 0.901 200 L HN 0.453 nan 8.230 nan 0.000 0.433 201 Y N -0.422 119.919 120.300 0.068 0.000 2.293 201 Y HA -0.167 4.380 4.550 -0.005 0.000 0.291 201 Y C 2.516 178.463 175.900 0.078 0.000 1.137 201 Y CA 1.016 59.154 58.100 0.063 0.000 1.202 201 Y CB -1.021 37.436 38.460 -0.006 0.000 0.990 201 Y HN 0.388 nan 8.280 nan 0.000 0.537 202 D N -0.961 119.588 120.400 0.248 0.000 2.144 202 D HA -0.254 4.383 4.640 -0.005 0.000 0.199 202 D C 2.149 178.561 176.300 0.187 0.000 0.984 202 D CA 1.135 55.239 54.000 0.173 0.000 0.834 202 D CB -0.379 40.510 40.800 0.148 0.000 0.955 202 D HN 0.344 nan 8.370 nan 0.000 0.465 203 Y N 0.519 120.893 120.300 0.123 0.000 2.163 203 Y HA -0.055 4.491 4.550 -0.005 0.000 0.288 203 Y C 1.949 177.906 175.900 0.095 0.000 1.136 203 Y CA 1.488 59.657 58.100 0.116 0.000 1.147 203 Y CB -0.259 38.293 38.460 0.153 0.000 0.987 203 Y HN 0.002 nan 8.280 nan 0.000 0.509 204 L N -0.390 120.939 121.223 0.177 0.000 2.109 204 L HA -0.168 4.168 4.340 -0.005 0.000 0.207 204 L C 2.408 179.262 176.870 -0.028 0.000 1.086 204 L CA 0.960 55.831 54.840 0.051 0.000 0.760 204 L CB -0.538 41.645 42.059 0.206 0.000 0.910 204 L HN 0.276 nan 8.230 nan 0.000 0.437 205 I N 0.270 120.841 120.570 0.003 0.000 2.113 205 I HA -0.298 3.869 4.170 -0.005 0.000 0.242 205 I C -0.265 175.822 176.117 -0.051 0.000 1.057 205 I CA 1.962 63.246 61.300 -0.027 0.000 1.314 205 I CB -1.474 36.520 38.000 -0.009 0.000 1.022 205 I HN 0.234 nan 8.210 nan 0.000 0.408 206 P HA -0.107 nan 4.420 nan 0.000 0.216 206 P C 1.859 179.104 177.300 -0.091 0.000 1.153 206 P CA 1.430 64.486 63.100 -0.075 0.000 0.844 206 P CB 0.004 31.654 31.700 -0.083 0.000 0.787 207 I N -1.281 119.207 120.570 -0.136 0.000 2.226 207 I HA -0.224 3.943 4.170 -0.005 0.000 0.245 207 I C 2.235 178.306 176.117 -0.076 0.000 1.100 207 I CA 1.432 62.653 61.300 -0.131 0.000 1.374 207 I CB -0.529 37.347 38.000 -0.207 0.000 1.057 207 I HN -0.102 nan 8.210 nan 0.000 0.413 208 I N 0.541 121.075 120.570 -0.060 0.000 2.202 208 I HA -0.283 3.884 4.170 -0.005 0.000 0.242 208 I C 2.667 178.762 176.117 -0.035 0.000 1.091 208 I CA 1.429 62.707 61.300 -0.037 0.000 1.368 208 I CB -0.369 37.614 38.000 -0.029 0.000 1.058 208 I HN 0.282 nan 8.210 nan 0.000 0.410 209 E N 0.786 120.963 120.200 -0.039 0.000 2.058 209 E HA -0.312 4.035 4.350 -0.005 0.000 0.194 209 E C 2.190 178.771 176.600 -0.032 0.000 0.997 209 E CA 1.548 57.928 56.400 -0.033 0.000 0.801 209 E CB 0.061 29.741 29.700 -0.033 0.000 0.746 209 E HN 0.428 nan 8.360 nan 0.000 0.450 210 Q N 0.023 119.800 119.800 -0.039 0.000 2.084 210 Q HA -0.133 4.204 4.340 -0.005 0.000 0.202 210 Q C 2.155 178.136 176.000 -0.033 0.000 0.978 210 Q CA 1.633 57.413 55.803 -0.037 0.000 0.844 210 Q CB -0.024 28.687 28.738 -0.046 0.000 0.898 210 Q HN 0.037 nan 8.270 nan 0.000 0.426 211 R N -0.334 120.145 120.500 -0.034 0.000 2.189 211 R HA 0.002 4.339 4.340 -0.005 0.000 0.218 211 R C 1.940 178.226 176.300 -0.023 0.000 1.074 211 R CA 0.929 57.011 56.100 -0.029 0.000 0.991 211 R CB 0.003 30.286 30.300 -0.029 0.000 0.883 211 R HN 0.130 nan 8.270 nan 0.000 0.457 212 R N -0.131 120.356 120.500 -0.022 0.000 2.161 212 R HA -0.019 4.318 4.340 -0.005 0.000 0.213 212 R C 1.506 177.796 176.300 -0.017 0.000 1.055 212 R CA 1.075 57.164 56.100 -0.017 0.000 0.996 212 R CB 0.166 30.456 30.300 -0.017 0.000 0.901 212 R HN 0.257 nan 8.270 nan 0.000 0.456 213 Q N 0.008 119.796 119.800 -0.019 0.000 2.137 213 Q HA -0.036 4.301 4.340 -0.005 0.000 0.198 213 Q C 0.343 176.332 176.000 -0.017 0.000 0.960 213 Q CA 0.918 56.711 55.803 -0.017 0.000 0.847 213 Q CB 0.335 29.062 28.738 -0.019 0.000 0.915 213 Q HN 0.001 nan 8.270 nan 0.000 0.448 214 K N 1.313 121.702 120.400 -0.019 0.000 2.646 214 K HA 0.285 4.602 4.320 -0.005 0.000 0.210 214 K C -2.769 173.819 176.600 -0.019 0.000 1.020 214 K CA -2.033 54.243 56.287 -0.018 0.000 1.040 214 K CB 1.292 33.781 32.500 -0.019 0.000 1.253 214 K HN -0.196 nan 8.250 nan 0.000 0.532 215 P HA -0.009 nan 4.420 nan 0.000 0.261 215 P C -0.222 177.067 177.300 -0.019 0.000 1.183 215 P CA 0.193 63.283 63.100 -0.018 0.000 0.761 215 P CB 1.155 32.845 31.700 -0.015 0.000 0.785 216 G N 1.252 110.039 108.800 -0.021 0.000 2.971 216 G HA2 0.479 4.436 3.960 -0.005 0.000 0.235 216 G HA3 0.479 4.436 3.960 -0.005 0.000 0.235 216 G C 0.345 175.231 174.900 -0.024 0.000 1.351 216 G CA -0.231 44.855 45.100 -0.023 0.000 1.039 216 G HN 0.394 nan 8.290 nan 0.000 0.563 217 T N -2.184 112.354 114.554 -0.027 0.000 3.085 217 T HA 0.229 4.575 4.350 -0.005 0.000 0.264 217 T C 0.232 174.909 174.700 -0.037 0.000 1.019 217 T CA 0.370 62.454 62.100 -0.028 0.000 0.910 217 T CB -0.404 68.449 68.868 -0.025 0.000 1.059 217 T HN 0.593 nan 8.240 nan 0.000 0.542 218 D N 0.883 121.257 120.400 -0.044 0.000 2.354 218 D HA 0.601 5.238 4.640 -0.005 0.000 0.247 218 D C 1.680 177.942 176.300 -0.063 0.000 1.138 218 D CA -0.338 53.624 54.000 -0.064 0.000 0.958 218 D CB 0.945 41.703 40.800 -0.069 0.000 1.144 218 D HN 0.008 nan 8.370 nan 0.000 0.458 219 A N 1.056 123.821 122.820 -0.092 0.000 1.917 219 A HA -0.185 4.132 4.320 -0.005 0.000 0.219 219 A C 2.115 179.676 177.584 -0.038 0.000 1.182 219 A CA 1.205 53.197 52.037 -0.074 0.000 0.633 219 A CB -0.874 18.048 19.000 -0.131 0.000 0.819 219 A HN 0.657 nan 8.150 nan 0.000 0.448 220 I N 0.076 120.619 120.570 -0.045 0.000 2.142 220 I HA -0.177 3.989 4.170 -0.005 0.000 0.240 220 I C 2.637 178.748 176.117 -0.011 0.000 1.078 220 I CA 1.817 63.109 61.300 -0.013 0.000 1.343 220 I CB -1.721 36.270 38.000 -0.015 0.000 1.046 220 I HN 0.235 nan 8.210 nan 0.000 0.405 221 S N 1.138 116.825 115.700 -0.023 0.000 2.359 221 S HA -0.139 4.328 4.470 -0.005 0.000 0.224 221 S C 2.063 176.656 174.600 -0.012 0.000 1.035 221 S CA 1.128 59.316 58.200 -0.019 0.000 1.018 221 S CB -0.216 62.970 63.200 -0.024 0.000 0.876 221 S HN 0.261 nan 8.310 nan 0.000 0.448 222 I N 1.292 121.854 120.570 -0.013 0.000 2.127 222 I HA -0.133 4.034 4.170 -0.005 0.000 0.241 222 I C 2.345 178.465 176.117 0.005 0.000 1.075 222 I CA 1.226 62.522 61.300 -0.006 0.000 1.334 222 I CB -1.606 36.389 38.000 -0.008 0.000 1.040 222 I HN 0.166 nan 8.210 nan 0.000 0.405 223 V N 1.308 121.231 119.914 0.015 0.000 2.270 223 V HA -0.229 3.888 4.120 -0.005 0.000 0.245 223 V C 2.814 178.926 176.094 0.030 0.000 1.043 223 V CA 1.841 64.161 62.300 0.035 0.000 1.014 223 V CB -1.149 30.705 31.823 0.052 0.000 0.645 223 V HN 0.475 nan 8.190 nan 0.000 0.447 224 A N 0.133 122.964 122.820 0.018 0.000 2.024 224 A HA -0.241 4.076 4.320 -0.005 0.000 0.220 224 A C 1.785 179.372 177.584 0.005 0.000 1.164 224 A CA 2.313 54.356 52.037 0.011 0.000 0.643 224 A CB -0.697 18.303 19.000 -0.001 0.000 0.806 224 A HN 0.739 nan 8.150 nan 0.000 0.451 225 N N -1.027 117.674 118.700 0.001 0.000 2.203 225 N HA 0.278 5.015 4.740 -0.005 0.000 0.207 225 N C 0.779 176.286 175.510 -0.005 0.000 1.130 225 N CA 0.138 53.185 53.050 -0.004 0.000 0.861 225 N CB 0.584 39.065 38.487 -0.009 0.000 1.005 225 N HN 0.421 nan 8.380 nan 0.000 0.507 226 G N 0.172 108.972 108.800 0.001 0.000 2.651 226 G HA2 0.273 4.229 3.960 -0.005 0.000 0.260 226 G HA3 0.273 4.229 3.960 -0.005 0.000 0.260 226 G C -0.424 174.464 174.900 -0.019 0.000 1.216 226 G CA -0.214 44.882 45.100 -0.007 0.000 0.913 226 G HN 0.103 nan 8.290 nan 0.000 0.535 227 Q N -1.571 118.205 119.800 -0.039 0.000 2.394 227 Q HA 0.527 4.864 4.340 -0.005 0.000 0.273 227 Q C -0.893 175.039 176.000 -0.112 0.000 1.089 227 Q CA -0.950 54.816 55.803 -0.063 0.000 0.812 227 Q CB 2.839 31.544 28.738 -0.054 0.000 1.353 227 Q HN 0.545 nan 8.270 nan 0.000 0.438 228 V N -0.037 119.774 119.914 -0.171 0.000 2.483 228 V HA 0.445 4.562 4.120 -0.005 0.000 0.297 228 V C 0.256 176.214 176.094 -0.226 0.000 1.027 228 V CA -0.696 61.429 62.300 -0.292 0.000 0.855 228 V CB 1.526 32.975 31.823 -0.624 0.000 0.995 228 V HN 1.064 nan 8.190 nan 0.000 0.424 229 N N 3.256 121.845 118.700 -0.184 0.000 2.708 229 N HA -0.265 4.471 4.740 -0.005 0.000 0.251 229 N C 1.138 176.593 175.510 -0.092 0.000 1.123 229 N CA 1.876 54.849 53.050 -0.128 0.000 0.739 229 N CB -1.085 37.321 38.487 -0.135 0.000 1.113 229 N HN 2.550 nan 8.380 nan 0.000 0.561 230 G N -0.678 108.069 108.800 -0.088 0.000 2.195 230 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.246 230 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.246 230 G C -0.006 174.860 174.900 -0.055 0.000 0.984 230 G CA 0.970 46.032 45.100 -0.062 0.000 0.633 230 G HN 1.008 nan 8.290 nan 0.000 0.525 231 R N -0.047 120.413 120.500 -0.067 0.000 2.732 231 R HA 0.742 5.078 4.340 -0.005 0.000 0.278 231 R C -3.141 173.130 176.300 -0.048 0.000 0.976 231 R CA -2.589 53.481 56.100 -0.049 0.000 0.963 231 R CB 0.280 30.555 30.300 -0.042 0.000 1.150 231 R HN 0.065 nan 8.270 nan 0.000 0.478 232 P HA 0.004 nan 4.420 nan 0.000 0.263 232 P C -0.307 176.990 177.300 -0.004 0.000 1.195 232 P CA -0.028 63.062 63.100 -0.017 0.000 0.762 232 P CB 0.438 32.132 31.700 -0.010 0.000 0.799 233 I N 3.122 123.696 120.570 0.006 0.000 2.754 233 I HA 0.076 4.242 4.170 -0.005 0.000 0.285 233 I C 0.776 176.922 176.117 0.048 0.000 1.166 233 I CA 0.051 61.382 61.300 0.053 0.000 1.417 233 I CB 0.819 38.867 38.000 0.079 0.000 1.382 233 I HN 0.383 nan 8.210 nan 0.000 0.588 234 T N 2.297 116.890 114.554 0.065 0.000 2.847 234 T HA 0.200 4.547 4.350 -0.005 0.000 0.279 234 T C 1.046 175.754 174.700 0.012 0.000 0.984 234 T CA -0.487 61.631 62.100 0.030 0.000 0.988 234 T CB 1.502 70.385 68.868 0.026 0.000 1.040 234 T HN 0.656 nan 8.240 nan 0.000 0.528 235 S N 0.331 116.025 115.700 -0.011 0.000 2.382 235 S HA -0.122 4.344 4.470 -0.005 0.000 0.228 235 S C 1.688 176.251 174.600 -0.063 0.000 1.027 235 S CA 1.384 59.565 58.200 -0.031 0.000 0.991 235 S CB -0.576 62.603 63.200 -0.036 0.000 0.823 235 S HN 0.927 nan 8.310 nan 0.000 0.469 236 D N 1.145 121.502 120.400 -0.072 0.000 2.117 236 D HA -0.099 4.537 4.640 -0.005 0.000 0.198 236 D C 1.893 178.112 176.300 -0.136 0.000 0.982 236 D CA 1.173 55.095 54.000 -0.130 0.000 0.828 236 D CB -0.169 40.566 40.800 -0.108 0.000 0.967 236 D HN 0.444 nan 8.370 nan 0.000 0.464 237 E N -0.114 120.050 120.200 -0.059 0.000 2.077 237 E HA -0.124 4.223 4.350 -0.005 0.000 0.193 237 E C 2.120 178.715 176.600 -0.009 0.000 0.989 237 E CA 1.008 57.386 56.400 -0.037 0.000 0.800 237 E CB -0.138 29.632 29.700 0.117 0.000 0.746 237 E HN 0.332 nan 8.360 nan 0.000 0.452 238 A N 1.683 124.510 122.820 0.012 0.000 1.902 238 A HA -0.258 4.059 4.320 -0.005 0.000 0.217 238 A C 2.062 179.643 177.584 -0.005 0.000 1.181 238 A CA 1.801 53.853 52.037 0.025 0.000 0.623 238 A CB -0.409 18.601 19.000 0.016 0.000 0.818 238 A HN 0.107 nan 8.150 nan 0.000 0.443 239 K N -0.353 119.998 120.400 -0.081 0.000 2.026 239 K HA -0.150 4.167 4.320 -0.005 0.000 0.208 239 K C 2.185 178.713 176.600 -0.120 0.000 1.048 239 K CA 1.472 57.671 56.287 -0.146 0.000 0.929 239 K CB -0.205 32.087 32.500 -0.346 0.000 0.713 239 K HN 0.418 nan 8.250 nan 0.000 0.439 240 R N -0.032 120.363 120.500 -0.176 0.000 2.152 240 R HA -0.103 4.233 4.340 -0.005 0.000 0.232 240 R C 2.341 178.747 176.300 0.176 0.000 1.117 240 R CA 1.718 57.832 56.100 0.023 0.000 0.981 240 R CB -0.195 30.051 30.300 -0.089 0.000 0.870 240 R HN 0.360 nan 8.270 nan 0.000 0.451 241 M N -0.525 119.124 119.600 0.081 0.000 2.299 241 M HA -0.068 4.408 4.480 -0.005 0.000 0.264 241 M C 1.952 178.308 176.300 0.093 0.000 1.095 241 M CA 1.388 56.741 55.300 0.089 0.000 1.165 241 M CB 0.124 32.782 32.600 0.097 0.000 1.349 241 M HN 0.131 nan 8.290 nan 0.000 0.446 242 C N 0.803 120.168 119.300 0.109 0.000 2.425 242 C HA -0.047 4.410 4.460 -0.005 0.000 0.277 242 C C 2.739 177.809 174.990 0.134 0.000 1.280 242 C CA 0.992 60.089 59.018 0.132 0.000 1.744 242 C CB -2.002 25.817 27.740 0.132 0.000 1.989 242 C HN 0.824 nan 8.230 nan 0.000 0.491 243 G N 0.217 109.128 108.800 0.185 0.000 2.418 243 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.217 243 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.217 243 G C 1.513 176.204 174.900 -0.349 0.000 1.158 243 G CA 0.907 46.094 45.100 0.146 0.000 0.771 243 G HN 0.472 nan 8.290 nan 0.000 0.545 244 L N 0.382 121.340 121.223 -0.441 0.000 2.056 244 L HA 0.172 4.509 4.340 -0.005 0.000 0.207 244 L C 2.704 179.378 176.870 -0.326 0.000 1.078 244 L CA 1.204 55.652 54.840 -0.652 0.000 0.749 244 L CB -0.356 41.501 42.059 -0.336 0.000 0.901 244 L HN 0.195 nan 8.230 nan 0.000 0.433 245 L N -1.352 119.794 121.223 -0.127 0.000 2.083 245 L HA -0.225 4.111 4.340 -0.005 0.000 0.209 245 L C 2.450 179.150 176.870 -0.283 0.000 1.083 245 L CA 0.585 55.397 54.840 -0.046 0.000 0.752 245 L CB -0.675 41.503 42.059 0.198 0.000 0.899 245 L HN 0.320 nan 8.230 nan 0.000 0.433 246 L N -0.200 120.918 121.223 -0.175 0.000 2.046 246 L HA -0.212 4.125 4.340 -0.005 0.000 0.208 246 L C 2.495 179.096 176.870 -0.449 0.000 1.077 246 L CA 1.746 56.410 54.840 -0.292 0.000 0.747 246 L CB -0.727 41.318 42.059 -0.023 0.000 0.896 246 L HN 0.265 nan 8.230 nan 0.000 0.432 247 L N 0.084 121.083 121.223 -0.373 0.000 2.046 247 L HA -0.061 4.275 4.340 -0.005 0.000 0.208 247 L C 2.384 179.096 176.870 -0.263 0.000 1.077 247 L CA 2.124 56.785 54.840 -0.299 0.000 0.747 247 L CB -1.218 40.636 42.059 -0.341 0.000 0.896 247 L HN 0.231 nan 8.230 nan 0.000 0.432 248 G N -1.246 107.378 108.800 -0.295 0.000 2.402 248 G HA2 -0.181 3.776 3.960 -0.005 0.000 0.216 248 G HA3 -0.181 3.776 3.960 -0.005 0.000 0.216 248 G C 1.508 176.213 174.900 -0.324 0.000 1.162 248 G CA 0.508 45.473 45.100 -0.226 0.000 0.777 248 G HN 0.582 nan 8.290 nan 0.000 0.539 249 G N 0.242 108.638 108.800 -0.673 0.000 2.443 249 G HA2 0.026 3.983 3.960 -0.005 0.000 0.219 249 G HA3 0.026 3.983 3.960 -0.005 0.000 0.219 249 G C 1.461 176.095 174.900 -0.443 0.000 1.131 249 G CA 0.632 45.252 45.100 -0.800 0.000 0.775 249 G HN 0.367 nan 8.290 nan 0.000 0.547 250 L N -0.732 120.265 121.223 -0.376 0.000 2.664 250 L HA 0.388 4.724 4.340 -0.005 0.000 0.233 250 L C 0.556 177.358 176.870 -0.114 0.000 1.113 250 L CA 0.527 55.251 54.840 -0.193 0.000 0.896 250 L CB 0.852 42.811 42.059 -0.167 0.000 1.163 250 L HN 0.057 nan 8.230 nan 0.000 0.497 251 D N -1.861 118.478 120.400 -0.101 0.000 2.865 251 D HA 0.135 4.772 4.640 -0.005 0.000 0.347 251 D C 0.938 177.244 176.300 0.010 0.000 1.498 251 D CA 0.814 54.795 54.000 -0.031 0.000 0.787 251 D CB 0.494 41.287 40.800 -0.011 0.000 1.190 251 D HN 0.200 nan 8.370 nan 0.000 0.445 252 T N -4.509 110.053 114.554 0.013 0.000 3.431 252 T HA 0.072 4.419 4.350 -0.005 0.000 0.207 252 T C 1.768 176.544 174.700 0.127 0.000 0.979 252 T CA 0.533 62.670 62.100 0.062 0.000 1.141 252 T CB -0.470 68.422 68.868 0.040 0.000 1.278 252 T HN -0.158 nan 8.240 nan 0.000 0.334 253 V N 2.565 122.549 119.914 0.116 0.000 2.324 253 V HA -0.174 3.943 4.120 -0.005 0.000 0.250 253 V C 2.921 179.135 176.094 0.200 0.000 1.060 253 V CA 1.892 64.312 62.300 0.201 0.000 1.042 253 V CB -1.061 30.849 31.823 0.144 0.000 0.650 253 V HN 0.453 nan 8.190 nan 0.000 0.450 254 V N 0.826 120.796 119.914 0.094 0.000 2.250 254 V HA -0.340 3.777 4.120 -0.005 0.000 0.250 254 V C 2.316 178.446 176.094 0.059 0.000 1.060 254 V CA 2.556 64.885 62.300 0.049 0.000 1.030 254 V CB -0.817 31.002 31.823 -0.008 0.000 0.643 254 V HN 0.629 nan 8.190 nan 0.000 0.445 255 N N -0.782 117.962 118.700 0.074 0.000 2.135 255 N HA -0.116 4.621 4.740 -0.005 0.000 0.186 255 N C 1.810 177.380 175.510 0.100 0.000 1.027 255 N CA 1.568 54.633 53.050 0.024 0.000 0.849 255 N CB -0.433 38.103 38.487 0.082 0.000 1.002 255 N HN 0.533 nan 8.380 nan 0.000 0.425 256 F N 2.394 122.438 119.950 0.157 0.000 2.126 256 F HA -0.121 4.402 4.527 -0.006 0.000 0.299 256 F C 2.190 178.098 175.800 0.179 0.000 1.096 256 F CA 1.078 59.219 58.000 0.235 0.000 1.255 256 F CB -0.232 38.851 39.000 0.139 0.000 0.997 256 F HN -0.072 nan 8.300 nan 0.000 0.479 257 L N -0.694 120.605 121.223 0.127 0.000 2.043 257 L HA -0.289 4.047 4.340 -0.005 0.000 0.212 257 L C 2.555 179.456 176.870 0.051 0.000 1.075 257 L CA 1.564 56.484 54.840 0.134 0.000 0.752 257 L CB -0.935 41.361 42.059 0.396 0.000 0.891 257 L HN 0.113 nan 8.230 nan 0.000 0.432 258 S N -0.673 115.053 115.700 0.044 0.000 2.368 258 S HA -0.109 4.358 4.470 -0.005 0.000 0.224 258 S C 1.757 176.148 174.600 -0.347 0.000 1.029 258 S CA 1.129 59.291 58.200 -0.064 0.000 0.988 258 S CB -0.277 62.838 63.200 -0.142 0.000 0.838 258 S HN 0.212 nan 8.310 nan 0.000 0.462 259 F N 2.190 121.903 119.950 -0.396 0.000 2.095 259 F HA -0.110 4.414 4.527 -0.005 0.000 0.298 259 F C 2.787 178.021 175.800 -0.944 0.000 1.104 259 F CA 1.034 58.640 58.000 -0.657 0.000 1.232 259 F CB -1.010 37.608 39.000 -0.638 0.000 0.987 259 F HN 0.100 nan 8.300 nan 0.000 0.475 260 S N -0.299 114.994 115.700 -0.679 0.000 2.356 260 S HA -0.249 4.218 4.470 -0.005 0.000 0.223 260 S C 2.004 176.394 174.600 -0.349 0.000 1.032 260 S CA 1.536 59.406 58.200 -0.550 0.000 1.005 260 S CB -0.435 62.471 63.200 -0.490 0.000 0.867 260 S HN 0.241 nan 8.310 nan 0.000 0.449 261 M N 1.694 121.011 119.600 -0.472 0.000 2.175 261 M HA -0.006 4.471 4.480 -0.005 0.000 0.264 261 M C 1.932 178.025 176.300 -0.345 0.000 1.063 261 M CA 1.300 56.245 55.300 -0.591 0.000 1.119 261 M CB -0.465 31.291 32.600 -1.407 0.000 1.377 261 M HN 0.351 nan 8.290 nan 0.000 0.415 262 E N -0.981 119.035 120.200 -0.306 0.000 2.058 262 E HA -0.274 4.073 4.350 -0.005 0.000 0.194 262 E C 1.965 178.494 176.600 -0.119 0.000 0.997 262 E CA 1.662 57.966 56.400 -0.161 0.000 0.801 262 E CB -0.388 29.252 29.700 -0.100 0.000 0.746 262 E HN 0.544 nan 8.360 nan 0.000 0.450 263 F N 1.190 120.960 119.950 -0.300 0.000 2.102 263 F HA -0.147 4.377 4.527 -0.005 0.000 0.298 263 F C 1.980 177.699 175.800 -0.134 0.000 1.105 263 F CA 1.374 59.256 58.000 -0.197 0.000 1.239 263 F CB -0.143 38.723 39.000 -0.224 0.000 0.991 263 F HN -0.006 nan 8.300 nan 0.000 0.474 264 L N 0.151 121.299 121.223 -0.125 0.000 2.131 264 L HA -0.177 4.160 4.340 -0.005 0.000 0.210 264 L C 2.683 179.322 176.870 -0.386 0.000 1.092 264 L CA 1.011 55.743 54.840 -0.181 0.000 0.759 264 L CB -1.163 40.935 42.059 0.065 0.000 0.903 264 L HN 0.277 nan 8.230 nan 0.000 0.435 265 A N -0.105 122.571 122.820 -0.241 0.000 2.172 265 A HA -0.133 4.183 4.320 -0.005 0.000 0.216 265 A C 1.893 179.299 177.584 -0.296 0.000 1.154 265 A CA 1.223 53.088 52.037 -0.287 0.000 0.701 265 A CB -0.197 18.861 19.000 0.097 0.000 0.789 265 A HN 0.371 nan 8.150 nan 0.000 0.465 266 K N -0.513 119.685 120.400 -0.336 0.000 2.438 266 K HA 0.225 4.542 4.320 -0.005 0.000 0.205 266 K C -0.447 175.927 176.600 -0.378 0.000 1.033 266 K CA 0.137 56.247 56.287 -0.295 0.000 1.089 266 K CB 0.934 33.295 32.500 -0.233 0.000 0.857 266 K HN 0.185 nan 8.250 nan 0.000 0.522 267 S N 1.628 117.049 115.700 -0.466 0.000 2.204 267 S HA 0.204 4.671 4.470 -0.005 0.000 0.147 267 S C -2.346 172.148 174.600 -0.178 0.000 1.711 267 S CA -0.947 57.030 58.200 -0.371 0.000 1.274 267 S CB 1.102 63.849 63.200 -0.755 0.000 1.257 267 S HN -0.053 nan 8.310 nan 0.000 0.404 268 P HA -0.212 nan 4.420 nan 0.000 0.216 268 P C 1.161 178.435 177.300 -0.043 0.000 1.154 268 P CA 1.444 64.476 63.100 -0.112 0.000 0.865 268 P CB 0.149 31.792 31.700 -0.095 0.000 0.789 269 E N -1.405 118.777 120.200 -0.030 0.000 2.058 269 E HA -0.231 4.116 4.350 -0.005 0.000 0.194 269 E C 1.914 178.488 176.600 -0.042 0.000 0.997 269 E CA 1.644 58.014 56.400 -0.050 0.000 0.801 269 E CB -1.643 27.999 29.700 -0.095 0.000 0.746 269 E HN 0.459 nan 8.360 nan 0.000 0.450 270 H N 0.246 119.317 119.070 0.001 0.000 2.387 270 H HA 0.120 4.673 4.556 -0.005 0.000 0.299 270 H C 1.986 177.485 175.328 0.285 0.000 1.090 270 H CA 1.556 57.686 56.048 0.137 0.000 1.332 270 H CB 0.057 29.877 29.762 0.096 0.000 1.386 270 H HN 0.036 nan 8.280 nan 0.000 0.516 271 R N 0.339 120.976 120.500 0.229 0.000 2.081 271 R HA -0.123 4.213 4.340 -0.005 0.000 0.235 271 R C 2.031 178.404 176.300 0.122 0.000 1.131 271 R CA 1.164 57.354 56.100 0.151 0.000 0.960 271 R CB -0.055 30.245 30.300 0.000 0.000 0.856 271 R HN 0.427 nan 8.270 nan 0.000 0.436 272 Q N 0.843 120.689 119.800 0.077 0.000 2.170 272 Q HA -0.157 4.179 4.340 -0.005 0.000 0.203 272 Q C 1.845 177.892 176.000 0.078 0.000 0.976 272 Q CA 1.330 57.167 55.803 0.055 0.000 0.858 272 Q CB -0.114 28.638 28.738 0.024 0.000 0.907 272 Q HN 0.513 nan 8.270 nan 0.000 0.433 273 E N 0.522 120.792 120.200 0.117 0.000 2.038 273 E HA -0.151 4.196 4.350 -0.005 0.000 0.195 273 E C 2.175 178.851 176.600 0.127 0.000 1.000 273 E CA 0.998 57.482 56.400 0.140 0.000 0.803 273 E CB -0.147 29.705 29.700 0.253 0.000 0.750 273 E HN 0.298 nan 8.360 nan 0.000 0.448 274 L N 0.581 121.890 121.223 0.143 0.000 2.141 274 L HA -0.128 4.208 4.340 -0.005 0.000 0.209 274 L C 2.444 179.351 176.870 0.061 0.000 1.094 274 L CA 0.643 55.526 54.840 0.071 0.000 0.763 274 L CB -0.375 41.709 42.059 0.042 0.000 0.908 274 L HN 0.156 nan 8.230 nan 0.000 0.437 275 I N -0.176 120.437 120.570 0.072 0.000 2.252 275 I HA -0.231 3.936 4.170 -0.005 0.000 0.245 275 I C 2.449 178.591 176.117 0.042 0.000 1.102 275 I CA 1.114 62.446 61.300 0.054 0.000 1.385 275 I CB -0.089 37.943 38.000 0.052 0.000 1.064 275 I HN 0.195 nan 8.210 nan 0.000 0.414 276 E N 0.858 121.086 120.200 0.045 0.000 2.028 276 E HA -0.078 4.268 4.350 -0.005 0.000 0.191 276 E C 0.383 177.004 176.600 0.035 0.000 0.988 276 E CA 0.992 57.414 56.400 0.037 0.000 0.799 276 E CB 0.192 29.915 29.700 0.038 0.000 0.755 276 E HN 0.175 nan 8.360 nan 0.000 0.447 277 R N 0.193 120.718 120.500 0.042 0.000 2.477 277 R HA 0.234 4.571 4.340 -0.005 0.000 0.285 277 R C -2.349 173.970 176.300 0.030 0.000 1.415 277 R CA -2.018 54.103 56.100 0.036 0.000 1.446 277 R CB 0.266 30.590 30.300 0.041 0.000 1.110 277 R HN 0.073 nan 8.270 nan 0.000 0.590 278 P HA -0.195 nan 4.420 nan 0.000 0.219 278 P C 1.088 178.396 177.300 0.014 0.000 1.146 278 P CA 1.106 64.218 63.100 0.020 0.000 0.808 278 P CB 0.363 32.076 31.700 0.022 0.000 0.779 279 E N 0.063 120.274 120.200 0.018 0.000 2.409 279 E HA -0.162 4.185 4.350 -0.005 0.000 0.198 279 E C 1.396 178.004 176.600 0.014 0.000 1.024 279 E CA 0.919 57.330 56.400 0.018 0.000 0.861 279 E CB -0.617 29.096 29.700 0.021 0.000 0.788 279 E HN 0.351 nan 8.360 nan 0.000 0.521 280 R N 0.218 120.723 120.500 0.007 0.000 2.317 280 R HA 0.273 4.609 4.340 -0.005 0.000 0.208 280 R C 2.277 178.539 176.300 -0.063 0.000 0.914 280 R CA 0.002 56.099 56.100 -0.004 0.000 1.060 280 R CB -0.069 30.243 30.300 0.021 0.000 1.015 280 R HN 0.198 nan 8.270 nan 0.000 0.498 281 I N 1.638 122.173 120.570 -0.058 0.000 2.163 281 I HA -0.221 3.946 4.170 -0.005 0.000 0.243 281 I C -0.771 175.308 176.117 -0.062 0.000 1.085 281 I CA 1.561 62.809 61.300 -0.087 0.000 1.347 281 I CB -1.079 36.904 38.000 -0.028 0.000 1.044 281 I HN 0.024 nan 8.210 nan 0.000 0.408 282 P HA -0.175 nan 4.420 nan 0.000 0.215 282 P C 1.479 178.789 177.300 0.018 0.000 1.153 282 P CA 1.849 64.961 63.100 0.020 0.000 0.853 282 P CB -0.005 31.715 31.700 0.033 0.000 0.788 283 A N -0.075 122.747 122.820 0.004 0.000 1.898 283 A HA -0.082 4.235 4.320 -0.005 0.000 0.216 283 A C 2.315 179.898 177.584 -0.000 0.000 1.181 283 A CA 1.967 54.020 52.037 0.027 0.000 0.620 283 A CB -1.615 17.412 19.000 0.045 0.000 0.819 283 A HN 0.176 nan 8.150 nan 0.000 0.442 284 A N -0.882 121.842 122.820 -0.160 0.000 1.940 284 A HA -0.238 4.079 4.320 -0.005 0.000 0.219 284 A C 2.402 179.902 177.584 -0.140 0.000 1.176 284 A CA 1.773 53.539 52.037 -0.451 0.000 0.631 284 A CB -1.506 16.799 19.000 -1.159 0.000 0.814 284 A HN 0.907 nan 8.150 nan 0.000 0.446 285 C N -0.474 118.795 119.300 -0.051 0.000 2.413 285 C HA -0.134 4.323 4.460 -0.005 0.000 0.276 285 C C 2.585 177.639 174.990 0.107 0.000 1.248 285 C CA 1.724 60.790 59.018 0.080 0.000 1.742 285 C CB -1.150 26.645 27.740 0.091 0.000 2.017 285 C HN 0.625 nan 8.230 nan 0.000 0.481 286 E N 0.487 120.739 120.200 0.086 0.000 2.072 286 E HA -0.175 4.172 4.350 -0.005 0.000 0.191 286 E C 2.004 178.647 176.600 0.071 0.000 0.985 286 E CA 1.598 58.053 56.400 0.092 0.000 0.801 286 E CB -0.680 29.103 29.700 0.138 0.000 0.750 286 E HN 0.798 nan 8.360 nan 0.000 0.452 287 E N 0.882 121.147 120.200 0.110 0.000 2.110 287 E HA -0.115 4.232 4.350 -0.005 0.000 0.193 287 E C 2.120 178.745 176.600 0.041 0.000 0.988 287 E CA 0.780 57.239 56.400 0.098 0.000 0.804 287 E CB -0.276 29.555 29.700 0.218 0.000 0.745 287 E HN 0.194 nan 8.360 nan 0.000 0.458 288 L N -0.267 121.045 121.223 0.148 0.000 2.109 288 L HA -0.073 4.263 4.340 -0.005 0.000 0.207 288 L C 2.454 179.542 176.870 0.363 0.000 1.086 288 L CA 0.667 55.660 54.840 0.255 0.000 0.760 288 L CB -0.315 41.964 42.059 0.367 0.000 0.910 288 L HN 0.193 nan 8.230 nan 0.000 0.437 289 L N -0.463 120.870 121.223 0.183 0.000 2.131 289 L HA -0.211 4.126 4.340 -0.005 0.000 0.210 289 L C 2.837 179.481 176.870 -0.378 0.000 1.092 289 L CA 1.113 55.793 54.840 -0.266 0.000 0.759 289 L CB -0.397 41.307 42.059 -0.590 0.000 0.903 289 L HN 0.281 nan 8.230 nan 0.000 0.435 290 R N 0.214 120.534 120.500 -0.299 0.000 2.052 290 R HA -0.174 4.163 4.340 -0.005 0.000 0.226 290 R C 2.478 178.604 176.300 -0.291 0.000 1.145 290 R CA 1.220 57.153 56.100 -0.279 0.000 0.952 290 R CB -0.119 30.117 30.300 -0.106 0.000 0.847 290 R HN 0.037 nan 8.270 nan 0.000 0.431 291 R N 0.154 120.436 120.500 -0.363 0.000 2.105 291 R HA -0.103 4.234 4.340 -0.005 0.000 0.239 291 R C 0.737 176.495 176.300 -0.904 0.000 1.135 291 R CA 1.703 57.397 56.100 -0.677 0.000 0.967 291 R CB -0.354 29.364 30.300 -0.969 0.000 0.861 291 R HN 0.289 nan 8.270 nan 0.000 0.442 292 F N 0.270 120.113 119.950 -0.178 0.000 2.850 292 F HA 0.384 4.907 4.527 -0.005 0.000 0.306 292 F C 0.474 176.126 175.800 -0.246 0.000 1.162 292 F CA -0.544 57.288 58.000 -0.281 0.000 1.327 292 F CB 0.251 39.075 39.000 -0.293 0.000 0.953 292 F HN -0.117 nan 8.300 nan 0.000 0.507 293 S N 1.795 117.368 115.700 -0.212 0.000 2.558 293 S HA 0.145 4.612 4.470 -0.005 0.000 0.287 293 S C 0.935 175.332 174.600 -0.338 0.000 1.321 293 S CA 0.034 58.062 58.200 -0.287 0.000 1.048 293 S CB 0.452 63.453 63.200 -0.333 0.000 0.844 293 S HN 0.569 nan 8.310 nan 0.000 0.512 294 L N 2.270 123.315 121.223 -0.296 0.000 3.515 294 L HA 0.555 4.892 4.340 -0.005 0.000 0.322 294 L C -0.723 175.974 176.870 -0.290 0.000 1.225 294 L CA -0.534 54.127 54.840 -0.299 0.000 1.104 294 L CB 0.149 42.159 42.059 -0.082 0.000 1.506 294 L HN 0.329 nan 8.230 nan 0.000 0.624 295 V N 1.856 121.597 119.914 -0.288 0.000 2.617 295 V HA 0.841 4.958 4.120 -0.005 0.000 0.298 295 V C 0.288 176.183 176.094 -0.331 0.000 1.048 295 V CA 0.094 62.242 62.300 -0.254 0.000 0.964 295 V CB 1.444 33.168 31.823 -0.165 0.000 1.004 295 V HN 0.352 nan 8.190 nan 0.000 0.466 296 A N 3.137 125.767 122.820 -0.316 0.000 2.667 296 A HA 0.645 4.962 4.320 -0.005 0.000 0.291 296 A C -0.814 176.624 177.584 -0.243 0.000 1.123 296 A CA -0.647 51.223 52.037 -0.279 0.000 0.832 296 A CB 0.590 19.322 19.000 -0.447 0.000 1.396 296 A HN 0.853 nan 8.150 nan 0.000 0.401 297 D N 1.191 121.490 120.400 -0.169 0.000 2.723 297 D HA 0.867 5.504 4.640 -0.005 0.000 0.247 297 D C 0.539 176.807 176.300 -0.053 0.000 1.134 297 D CA 0.065 53.928 54.000 -0.228 0.000 1.099 297 D CB 1.002 41.649 40.800 -0.256 0.000 1.287 297 D HN 0.867 nan 8.370 nan 0.000 0.634 298 G N -1.806 106.971 108.800 -0.039 0.000 2.772 298 G HA2 0.580 4.537 3.960 -0.005 0.000 0.284 298 G HA3 0.580 4.537 3.960 -0.005 0.000 0.284 298 G C -1.061 173.838 174.900 -0.002 0.000 1.217 298 G CA -0.729 44.355 45.100 -0.027 0.000 0.831 298 G HN 0.432 nan 8.290 nan 0.000 0.523 299 R N -1.212 119.282 120.500 -0.011 0.000 2.831 299 R HA 0.650 4.987 4.340 -0.005 0.000 0.266 299 R C -1.425 174.942 176.300 0.111 0.000 1.051 299 R CA -0.769 55.369 56.100 0.063 0.000 0.943 299 R CB 1.616 31.988 30.300 0.120 0.000 1.228 299 R HN 0.582 nan 8.270 nan 0.000 0.467 300 I N 1.416 122.064 120.570 0.130 0.000 2.545 300 I HA 0.268 4.435 4.170 -0.005 0.000 0.292 300 I C -0.641 175.548 176.117 0.120 0.000 1.040 300 I CA -1.052 60.329 61.300 0.136 0.000 1.068 300 I CB 1.355 39.414 38.000 0.098 0.000 1.251 300 I HN 0.229 nan 8.210 nan 0.000 0.424 301 L N 6.581 127.878 121.223 0.123 0.000 2.462 301 L HA 0.075 4.411 4.340 -0.005 0.000 0.272 301 L C 1.633 178.506 176.870 0.005 0.000 1.166 301 L CA 0.550 55.398 54.840 0.013 0.000 0.880 301 L CB 0.962 43.055 42.059 0.057 0.000 1.142 301 L HN 0.800 nan 8.230 nan 0.000 0.473 302 T N -1.421 113.103 114.554 -0.051 0.000 3.067 302 T HA 0.043 4.390 4.350 -0.005 0.000 0.261 302 T C 0.740 175.432 174.700 -0.013 0.000 1.110 302 T CA 0.515 62.599 62.100 -0.026 0.000 1.113 302 T CB 0.141 68.973 68.868 -0.059 0.000 0.917 302 T HN 0.653 nan 8.240 nan 0.000 0.499 303 S N -0.317 115.378 115.700 -0.010 0.000 2.615 303 S HA 0.413 4.880 4.470 -0.005 0.000 0.268 303 S C -2.136 172.481 174.600 0.029 0.000 1.146 303 S CA -1.211 56.998 58.200 0.014 0.000 0.818 303 S CB 0.815 64.027 63.200 0.020 0.000 1.111 303 S HN 0.059 nan 8.310 nan 0.000 0.465 304 D N 1.225 121.644 120.400 0.032 0.000 2.493 304 D HA 0.415 5.051 4.640 -0.005 0.000 0.240 304 D C -0.825 175.526 176.300 0.086 0.000 1.142 304 D CA 1.122 55.143 54.000 0.036 0.000 0.872 304 D CB -0.043 40.766 40.800 0.015 0.000 1.173 304 D HN 0.535 nan 8.370 nan 0.000 0.467 305 Y N 0.619 120.837 120.300 -0.138 0.000 2.442 305 Y HA 0.175 4.723 4.550 -0.004 0.000 0.330 305 Y C -1.057 174.754 175.900 -0.148 0.000 1.100 305 Y CA -1.029 56.928 58.100 -0.237 0.000 1.034 305 Y CB 1.351 39.497 38.460 -0.524 0.000 1.285 305 Y HN 0.321 nan 8.280 nan 0.000 0.440 306 E N 5.985 125.866 120.200 -0.531 0.000 2.152 306 E HA 0.306 4.653 4.350 -0.005 0.000 0.285 306 E C -1.884 174.306 176.600 -0.683 0.000 1.043 306 E CA -0.418 55.716 56.400 -0.443 0.000 0.839 306 E CB 0.556 30.102 29.700 -0.255 0.000 1.069 306 E HN 0.464 nan 8.360 nan 0.000 0.399 307 F N 5.288 124.890 119.950 -0.580 0.000 2.460 307 F HA 0.242 4.766 4.527 -0.005 0.000 0.341 307 F C -0.310 175.439 175.800 -0.085 0.000 1.130 307 F CA -0.617 57.167 58.000 -0.359 0.000 0.962 307 F CB 0.464 39.380 39.000 -0.140 0.000 1.171 307 F HN 0.657 nan 8.300 nan 0.000 0.436 308 H N 4.107 122.873 119.070 -0.508 0.000 2.604 308 H HA -0.193 4.359 4.556 -0.006 0.000 0.321 308 H C 1.398 176.578 175.328 -0.246 0.000 1.132 308 H CA 0.973 56.766 56.048 -0.425 0.000 1.129 308 H CB -0.982 28.434 29.762 -0.578 0.000 1.526 308 H HN 1.163 nan 8.280 nan 0.000 0.415 309 G N -0.872 107.845 108.800 -0.137 0.000 2.168 309 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.263 309 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.263 309 G C 0.238 175.101 174.900 -0.061 0.000 0.977 309 G CA 0.365 45.414 45.100 -0.085 0.000 0.659 309 G HN 0.486 nan 8.290 nan 0.000 0.533 310 V N 1.365 121.219 119.914 -0.099 0.000 2.495 310 V HA 0.465 4.582 4.120 -0.005 0.000 0.298 310 V C -0.025 175.978 176.094 -0.152 0.000 1.031 310 V CA -1.080 61.147 62.300 -0.122 0.000 0.871 310 V CB 1.914 33.592 31.823 -0.240 0.000 0.988 310 V HN 0.275 nan 8.190 nan 0.000 0.432 311 Q N 5.005 124.773 119.800 -0.054 0.000 2.369 311 Q HA 0.411 4.748 4.340 -0.005 0.000 0.247 311 Q C -0.710 175.328 176.000 0.064 0.000 1.083 311 Q CA 0.084 55.886 55.803 -0.002 0.000 0.905 311 Q CB 1.037 29.821 28.738 0.077 0.000 1.305 311 Q HN 0.572 nan 8.270 nan 0.000 0.465 312 L N 2.496 123.696 121.223 -0.038 0.000 2.334 312 L HA 0.429 4.766 4.340 -0.005 0.000 0.277 312 L C 0.482 177.421 176.870 0.116 0.000 1.075 312 L CA -0.759 54.112 54.840 0.052 0.000 0.804 312 L CB 0.664 42.670 42.059 -0.088 0.000 1.174 312 L HN 0.134 nan 8.230 nan 0.000 0.438 313 K N 2.338 122.846 120.400 0.180 0.000 2.156 313 K HA 0.293 4.610 4.320 -0.005 0.000 0.254 313 K C -0.473 176.171 176.600 0.073 0.000 0.950 313 K CA -0.906 55.381 56.287 0.001 0.000 0.849 313 K CB 1.938 34.242 32.500 -0.327 0.000 1.100 313 K HN 0.410 nan 8.250 nan 0.000 0.434 314 K N 0.239 120.658 120.400 0.031 0.000 2.550 314 K HA -0.047 4.270 4.320 -0.005 0.000 0.280 314 K C 0.775 177.422 176.600 0.078 0.000 0.987 314 K CA 1.643 57.958 56.287 0.046 0.000 1.048 314 K CB -0.083 32.431 32.500 0.024 0.000 0.879 314 K HN 0.766 nan 8.250 nan 0.000 0.491 315 G N 2.927 111.787 108.800 0.101 0.000 2.241 315 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.244 315 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.244 315 G C -0.289 174.732 174.900 0.201 0.000 0.998 315 G CA 0.244 45.420 45.100 0.127 0.000 0.621 315 G HN 0.742 nan 8.290 nan 0.000 0.519 316 D N 1.522 122.090 120.400 0.280 0.000 2.443 316 D HA 0.424 5.061 4.640 -0.005 0.000 0.239 316 D C 0.811 177.348 176.300 0.395 0.000 1.136 316 D CA 0.539 54.814 54.000 0.459 0.000 0.879 316 D CB 0.546 41.781 40.800 0.725 0.000 1.195 316 D HN 0.500 nan 8.370 nan 0.000 0.443 317 Q N 0.894 120.919 119.800 0.374 0.000 2.245 317 Q HA 0.603 4.940 4.340 -0.005 0.000 0.256 317 Q C -0.457 175.734 176.000 0.318 0.000 0.942 317 Q CA -0.643 55.309 55.803 0.247 0.000 0.896 317 Q CB 2.529 31.334 28.738 0.111 0.000 1.272 317 Q HN 0.455 nan 8.270 nan 0.000 0.442 318 I N 2.989 123.697 120.570 0.230 0.000 2.478 318 I HA 0.245 4.412 4.170 -0.005 0.000 0.287 318 I C -1.569 174.571 176.117 0.038 0.000 1.042 318 I CA -1.072 60.367 61.300 0.231 0.000 1.067 318 I CB 1.139 39.274 38.000 0.225 0.000 1.233 318 I HN 0.493 nan 8.210 nan 0.000 0.431 319 L N 8.398 129.648 121.223 0.044 0.000 2.319 319 L HA 0.401 4.737 4.340 -0.005 0.000 0.280 319 L C -1.069 175.782 176.870 -0.032 0.000 1.099 319 L CA 0.313 55.131 54.840 -0.037 0.000 0.828 319 L CB 0.770 42.831 42.059 0.003 0.000 1.150 319 L HN 0.546 nan 8.230 nan 0.000 0.442 320 L N 7.477 128.652 121.223 -0.080 0.000 2.495 320 L HA 0.378 4.714 4.340 -0.005 0.000 0.248 320 L C -2.191 174.718 176.870 0.065 0.000 1.229 320 L CA -1.701 53.065 54.840 -0.123 0.000 0.942 320 L CB 0.892 42.614 42.059 -0.562 0.000 1.242 320 L HN 0.489 nan 8.230 nan 0.000 0.484 321 P HA 0.007 nan 4.420 nan 0.000 0.258 321 P C 0.318 177.584 177.300 -0.057 0.000 1.214 321 P CA 0.166 63.246 63.100 -0.033 0.000 0.872 321 P CB 0.700 32.405 31.700 0.009 0.000 0.890 322 Q N 2.647 122.407 119.800 -0.066 0.000 2.197 322 Q HA -0.206 4.131 4.340 -0.005 0.000 0.207 322 Q C 1.892 177.791 176.000 -0.169 0.000 0.984 322 Q CA 1.633 57.382 55.803 -0.091 0.000 0.869 322 Q CB -0.538 28.112 28.738 -0.147 0.000 0.906 322 Q HN 0.523 nan 8.270 nan 0.000 0.426 323 M N -0.359 119.076 119.600 -0.274 0.000 2.149 323 M HA -0.186 4.291 4.480 -0.005 0.000 0.261 323 M C 1.459 177.617 176.300 -0.237 0.000 1.064 323 M CA 1.516 56.618 55.300 -0.329 0.000 1.102 323 M CB -0.010 32.268 32.600 -0.537 0.000 1.369 323 M HN 0.296 nan 8.290 nan 0.000 0.408 324 L N -0.540 120.576 121.223 -0.178 0.000 2.156 324 L HA -0.145 4.192 4.340 -0.005 0.000 0.208 324 L C 2.432 179.243 176.870 -0.098 0.000 1.095 324 L CA 0.721 55.493 54.840 -0.114 0.000 0.770 324 L CB -0.614 41.402 42.059 -0.072 0.000 0.914 324 L HN 0.317 nan 8.230 nan 0.000 0.439 325 S N 0.478 116.125 115.700 -0.089 0.000 2.368 325 S HA -0.209 4.258 4.470 -0.005 0.000 0.226 325 S C 1.942 176.500 174.600 -0.070 0.000 1.044 325 S CA 1.676 59.830 58.200 -0.077 0.000 1.062 325 S CB -0.736 62.422 63.200 -0.070 0.000 0.931 325 S HN 0.619 nan 8.310 nan 0.000 0.440 326 G N 0.464 109.226 108.800 -0.064 0.000 2.534 326 G HA2 0.042 3.999 3.960 -0.005 0.000 0.217 326 G HA3 0.042 3.999 3.960 -0.005 0.000 0.217 326 G C 1.137 175.985 174.900 -0.086 0.000 1.128 326 G CA 0.162 45.232 45.100 -0.051 0.000 0.784 326 G HN 0.442 nan 8.290 nan 0.000 0.542 327 L N 0.071 121.230 121.223 -0.106 0.000 2.509 327 L HA 0.156 4.493 4.340 -0.005 0.000 0.222 327 L C 0.622 177.444 176.870 -0.080 0.000 1.123 327 L CA -0.265 54.511 54.840 -0.108 0.000 0.856 327 L CB 0.041 42.030 42.059 -0.116 0.000 0.985 327 L HN 0.025 nan 8.230 nan 0.000 0.456 328 D N 1.549 121.904 120.400 -0.074 0.000 2.401 328 D HA -0.070 4.567 4.640 -0.005 0.000 0.254 328 D C 1.199 177.466 176.300 -0.054 0.000 1.192 328 D CA 0.127 54.087 54.000 -0.066 0.000 0.885 328 D CB 1.059 41.817 40.800 -0.070 0.000 1.147 328 D HN 0.368 nan 8.370 nan 0.000 0.478 329 E N 3.186 123.357 120.200 -0.048 0.000 2.265 329 E HA -0.191 4.156 4.350 -0.005 0.000 0.196 329 E C 1.278 177.858 176.600 -0.034 0.000 0.996 329 E CA 0.703 57.081 56.400 -0.037 0.000 0.832 329 E CB -0.032 29.648 29.700 -0.033 0.000 0.756 329 E HN 0.416 nan 8.360 nan 0.000 0.491 330 R N 0.506 120.983 120.500 -0.039 0.000 2.276 330 R HA 0.030 4.367 4.340 -0.005 0.000 0.203 330 R C 1.664 177.944 176.300 -0.034 0.000 1.017 330 R CA 0.924 57.003 56.100 -0.035 0.000 1.010 330 R CB 0.085 30.361 30.300 -0.040 0.000 0.900 330 R HN 0.328 nan 8.270 nan 0.000 0.469 331 E N -0.338 119.839 120.200 -0.038 0.000 2.244 331 E HA 0.109 4.455 4.350 -0.005 0.000 0.196 331 E C -0.180 176.404 176.600 -0.028 0.000 0.939 331 E CA 0.258 56.636 56.400 -0.036 0.000 0.884 331 E CB 0.594 30.266 29.700 -0.046 0.000 0.850 331 E HN 0.173 nan 8.360 nan 0.000 0.481 332 N N 0.607 119.291 118.700 -0.028 0.000 2.480 332 N HA 0.279 5.016 4.740 -0.005 0.000 0.289 332 N C -1.106 174.394 175.510 -0.017 0.000 1.073 332 N CA -0.164 52.874 53.050 -0.019 0.000 0.885 332 N CB 2.004 40.477 38.487 -0.023 0.000 1.421 332 N HN -0.009 nan 8.380 nan 0.000 0.503 333 A N 1.568 124.383 122.820 -0.009 0.000 2.520 333 A HA 0.442 4.759 4.320 -0.005 0.000 0.235 333 A C 1.067 178.651 177.584 0.001 0.000 1.065 333 A CA 0.541 52.574 52.037 -0.007 0.000 0.764 333 A CB -0.147 18.850 19.000 -0.004 0.000 1.002 333 A HN 1.224 nan 8.150 nan 0.000 0.502 334 A N 2.611 125.430 122.820 -0.002 0.000 2.466 334 A HA -0.106 4.211 4.320 -0.005 0.000 0.295 334 A C -0.412 177.183 177.584 0.018 0.000 1.465 334 A CA 0.705 52.749 52.037 0.012 0.000 0.744 334 A CB -1.556 17.454 19.000 0.017 0.000 1.098 334 A HN 0.828 nan 8.150 nan 0.000 0.402 335 P HA -0.215 nan 4.420 nan 0.000 0.216 335 P C 1.293 178.545 177.300 -0.081 0.000 1.150 335 P CA 1.480 64.550 63.100 -0.049 0.000 0.843 335 P CB -0.111 31.554 31.700 -0.059 0.000 0.787 336 M N -1.503 118.066 119.600 -0.051 0.000 2.630 336 M HA 0.014 4.491 4.480 -0.005 0.000 0.254 336 M C 0.844 177.111 176.300 -0.056 0.000 1.092 336 M CA 0.420 55.676 55.300 -0.075 0.000 1.087 336 M CB -1.970 30.615 32.600 -0.024 0.000 1.453 336 M HN 0.064 nan 8.290 nan 0.000 0.509 337 H N 0.076 119.088 119.070 -0.097 0.000 2.502 337 H HA 0.413 4.965 4.556 -0.005 0.000 0.327 337 H C -0.971 174.279 175.328 -0.130 0.000 1.099 337 H CA -0.457 55.547 56.048 -0.074 0.000 1.323 337 H CB 1.008 30.754 29.762 -0.026 0.000 1.450 337 H HN -0.176 nan 8.280 nan 0.000 0.502 338 V N 5.636 125.039 119.914 -0.851 0.000 2.408 338 V HA 0.116 4.233 4.120 -0.005 0.000 0.267 338 V C -0.114 175.589 176.094 -0.651 0.000 1.047 338 V CA -0.154 61.710 62.300 -0.726 0.000 0.937 338 V CB 0.786 32.015 31.823 -0.990 0.000 0.999 338 V HN 0.810 nan 8.190 nan 0.000 0.472 339 D N 4.542 124.788 120.400 -0.258 0.000 2.420 339 D HA 0.314 4.951 4.640 -0.005 0.000 0.255 339 D C 0.533 176.901 176.300 0.114 0.000 1.185 339 D CA -0.575 53.405 54.000 -0.034 0.000 0.904 339 D CB 0.876 41.752 40.800 0.126 0.000 1.102 339 D HN 0.232 nan 8.370 nan 0.000 0.534 340 F N 1.292 121.312 119.950 0.115 0.000 2.373 340 F HA -0.068 4.456 4.527 -0.005 0.000 0.300 340 F C 2.180 178.023 175.800 0.072 0.000 1.080 340 F CA 0.546 58.604 58.000 0.097 0.000 1.417 340 F CB -0.570 38.507 39.000 0.129 0.000 1.070 340 F HN 0.277 nan 8.300 nan 0.000 0.546 341 S N -1.170 114.669 115.700 0.232 0.000 2.556 341 S HA 0.060 4.527 4.470 -0.005 0.000 0.216 341 S C 0.869 175.536 174.600 0.112 0.000 0.970 341 S CA -0.551 57.739 58.200 0.149 0.000 0.912 341 S CB -0.181 63.087 63.200 0.112 0.000 0.790 341 S HN 0.186 nan 8.310 nan 0.000 0.504 342 R N 2.399 122.969 120.500 0.116 0.000 2.486 342 R HA -0.072 4.265 4.340 -0.005 0.000 0.304 342 R C 1.131 177.473 176.300 0.070 0.000 0.913 342 R CA 0.325 56.476 56.100 0.085 0.000 1.124 342 R CB 0.258 30.604 30.300 0.077 0.000 0.891 342 R HN 0.213 nan 8.270 nan 0.000 0.410 343 Q N 2.505 122.337 119.800 0.053 0.000 2.084 343 Q HA -0.162 4.175 4.340 -0.005 0.000 0.202 343 Q C 0.256 176.277 176.000 0.036 0.000 0.978 343 Q CA 1.624 57.453 55.803 0.043 0.000 0.844 343 Q CB -0.032 28.726 28.738 0.032 0.000 0.898 343 Q HN 0.304 nan 8.270 nan 0.000 0.426 344 K N 0.536 120.954 120.400 0.031 0.000 2.621 344 K HA 0.246 4.562 4.320 -0.005 0.000 0.233 344 K C -1.506 175.107 176.600 0.022 0.000 0.972 344 K CA -0.262 56.038 56.287 0.021 0.000 0.988 344 K CB 1.109 33.615 32.500 0.010 0.000 1.187 344 K HN -0.257 nan 8.250 nan 0.000 0.471 345 V N 3.211 123.145 119.914 0.035 0.000 2.326 345 V HA 0.170 4.287 4.120 -0.005 0.000 0.249 345 V C 0.188 176.296 176.094 0.022 0.000 1.114 345 V CA -0.435 61.898 62.300 0.054 0.000 1.028 345 V CB 0.261 32.146 31.823 0.103 0.000 1.170 345 V HN 0.731 nan 8.190 nan 0.000 0.494 346 S N 5.041 120.739 115.700 -0.003 0.000 2.475 346 S HA 0.638 5.105 4.470 -0.005 0.000 0.281 346 S C -0.461 174.132 174.600 -0.012 0.000 1.198 346 S CA -0.356 57.809 58.200 -0.058 0.000 1.063 346 S CB 0.161 63.333 63.200 -0.046 0.000 0.972 346 S HN 1.100 nan 8.310 nan 0.000 0.486 347 H N 0.147 119.183 119.070 -0.056 0.000 2.950 347 H HA 0.487 5.040 4.556 -0.005 0.000 0.307 347 H C -0.606 174.675 175.328 -0.077 0.000 1.403 347 H CA -0.337 55.657 56.048 -0.090 0.000 1.145 347 H CB 0.664 30.354 29.762 -0.120 0.000 1.844 347 H HN 0.332 nan 8.280 nan 0.000 0.515 348 T N -2.165 112.492 114.554 0.171 0.000 3.533 348 T HA 0.187 4.534 4.350 -0.005 0.000 0.275 348 T C 0.424 175.159 174.700 0.057 0.000 1.000 348 T CA 0.128 62.294 62.100 0.110 0.000 1.015 348 T CB -0.392 68.471 68.868 -0.008 0.000 1.153 348 T HN 0.608 nan 8.240 nan 0.000 0.504 349 T N 1.380 115.974 114.554 0.066 0.000 2.720 349 T HA 0.017 4.364 4.350 -0.005 0.000 0.268 349 T C 0.472 174.925 174.700 -0.412 0.000 1.037 349 T CA 1.361 63.223 62.100 -0.397 0.000 1.144 349 T CB -0.390 67.930 68.868 -0.913 0.000 0.864 349 T HN 0.508 nan 8.240 nan 0.000 0.444 350 F N 1.368 121.296 119.950 -0.038 0.000 2.663 350 F HA 0.465 4.989 4.527 -0.005 0.000 0.299 350 F C 1.584 177.339 175.800 -0.074 0.000 1.143 350 F CA -0.237 57.720 58.000 -0.072 0.000 1.387 350 F CB -0.663 38.300 39.000 -0.062 0.000 1.019 350 F HN 0.305 nan 8.300 nan 0.000 0.523 351 G N 0.041 108.850 108.800 0.016 0.000 2.660 351 G HA2 -0.087 3.870 3.960 -0.005 0.000 0.247 351 G HA3 -0.087 3.870 3.960 -0.005 0.000 0.247 351 G C -1.475 173.415 174.900 -0.015 0.000 1.328 351 G CA -0.690 44.341 45.100 -0.114 0.000 0.884 351 G HN 0.542 nan 8.290 nan 0.000 0.531 352 H N -0.939 117.978 119.070 -0.255 0.000 3.112 352 H HA 0.683 5.236 4.556 -0.005 0.000 0.347 352 H C 0.470 175.795 175.328 -0.005 0.000 1.188 352 H CA 1.846 57.843 56.048 -0.086 0.000 1.240 352 H CB 1.273 31.029 29.762 -0.010 0.000 1.920 352 H HN 2.663 nan 8.280 nan 0.000 0.535 353 G N 1.230 109.793 108.800 -0.395 0.000 2.512 353 G HA2 -0.200 3.757 3.960 -0.005 0.000 0.210 353 G HA3 -0.200 3.757 3.960 -0.005 0.000 0.210 353 G C 0.973 175.838 174.900 -0.059 0.000 1.295 353 G CA 0.335 45.353 45.100 -0.137 0.000 0.934 353 G HN 1.370 nan 8.290 nan 0.000 0.554 354 S N -0.899 114.798 115.700 -0.006 0.000 2.547 354 S HA -0.010 4.457 4.470 -0.005 0.000 0.235 354 S C 1.185 175.644 174.600 -0.235 0.000 0.980 354 S CA 1.727 59.847 58.200 -0.133 0.000 0.941 354 S CB -0.232 62.830 63.200 -0.230 0.000 0.763 354 S HN 0.727 nan 8.310 nan 0.000 0.532 355 H N 0.402 119.463 119.070 -0.015 0.000 2.507 355 H HA 0.354 4.907 4.556 -0.005 0.000 0.294 355 H C -0.177 175.131 175.328 -0.034 0.000 1.064 355 H CA -0.638 55.405 56.048 -0.009 0.000 1.138 355 H CB -0.043 29.729 29.762 0.016 0.000 1.515 355 H HN 0.290 nan 8.280 nan 0.000 0.547 356 L N 1.700 122.932 121.223 0.015 0.000 2.640 356 L HA -0.115 4.222 4.340 -0.005 0.000 0.280 356 L C 0.737 177.603 176.870 -0.007 0.000 1.229 356 L CA 0.343 55.182 54.840 -0.002 0.000 0.919 356 L CB -0.173 41.867 42.059 -0.031 0.000 1.168 356 L HN 0.383 nan 8.230 nan 0.000 0.496 357 C N 5.860 125.166 119.300 0.011 0.000 2.334 357 C HA -0.049 4.408 4.460 -0.005 0.000 0.395 357 C C 1.945 176.844 174.990 -0.151 0.000 1.507 357 C CA -0.238 58.763 59.018 -0.027 0.000 1.494 357 C CB -1.130 26.636 27.740 0.044 0.000 2.509 357 C HN 0.835 nan 8.230 nan 0.000 0.599 358 L N 4.977 126.142 121.223 -0.096 0.000 2.341 358 L HA 0.163 4.499 4.340 -0.005 0.000 0.214 358 L C 2.401 179.175 176.870 -0.161 0.000 1.115 358 L CA 1.244 56.018 54.840 -0.110 0.000 0.820 358 L CB -0.367 41.679 42.059 -0.022 0.000 0.944 358 L HN 0.968 nan 8.230 nan 0.000 0.452 359 G N -0.533 108.171 108.800 -0.160 0.000 3.141 359 G HA2 -0.051 3.905 3.960 -0.005 0.000 0.218 359 G HA3 -0.051 3.905 3.960 -0.005 0.000 0.218 359 G C 1.338 176.056 174.900 -0.304 0.000 1.170 359 G CA -0.023 44.986 45.100 -0.152 0.000 0.769 359 G HN 0.506 nan 8.290 nan 0.000 0.546 360 Q N -0.151 119.279 119.800 -0.617 0.000 2.135 360 Q HA -0.201 4.136 4.340 -0.005 0.000 0.204 360 Q C 1.803 177.374 176.000 -0.716 0.000 0.981 360 Q CA 1.395 56.512 55.803 -1.144 0.000 0.856 360 Q CB -0.505 27.220 28.738 -1.688 0.000 0.902 360 Q HN 0.452 nan 8.270 nan 0.000 0.425 361 H N 0.481 119.376 119.070 -0.292 0.000 2.363 361 H HA -0.051 4.502 4.556 -0.005 0.000 0.301 361 H C 2.167 177.442 175.328 -0.088 0.000 1.074 361 H CA 1.343 57.297 56.048 -0.157 0.000 1.354 361 H CB -0.272 29.428 29.762 -0.103 0.000 1.397 361 H HN 0.273 nan 8.280 nan 0.000 0.516 362 L N 1.224 122.457 121.223 0.018 0.000 2.083 362 L HA -0.036 4.301 4.340 -0.005 0.000 0.209 362 L C 2.474 179.361 176.870 0.029 0.000 1.083 362 L CA 1.724 56.580 54.840 0.027 0.000 0.752 362 L CB -0.835 41.235 42.059 0.019 0.000 0.899 362 L HN 0.175 nan 8.230 nan 0.000 0.433 363 A N -0.341 122.472 122.820 -0.010 0.000 1.877 363 A HA -0.195 4.122 4.320 -0.005 0.000 0.216 363 A C 2.429 180.087 177.584 0.122 0.000 1.186 363 A CA 1.701 53.778 52.037 0.066 0.000 0.620 363 A CB -0.529 18.535 19.000 0.106 0.000 0.822 363 A HN 0.493 nan 8.150 nan 0.000 0.443 364 R N -1.263 119.287 120.500 0.084 0.000 2.081 364 R HA -0.114 4.223 4.340 -0.005 0.000 0.235 364 R C 2.456 178.841 176.300 0.141 0.000 1.131 364 R CA 1.500 57.677 56.100 0.128 0.000 0.960 364 R CB -0.287 30.075 30.300 0.103 0.000 0.856 364 R HN 0.393 nan 8.270 nan 0.000 0.436 365 R N 1.423 121.996 120.500 0.123 0.000 2.080 365 R HA -0.142 4.195 4.340 -0.005 0.000 0.236 365 R C 1.884 178.307 176.300 0.205 0.000 1.137 365 R CA 1.794 57.976 56.100 0.136 0.000 0.943 365 R CB -0.211 30.153 30.300 0.107 0.000 0.846 365 R HN 0.290 nan 8.270 nan 0.000 0.431 366 E N -0.527 119.810 120.200 0.227 0.000 2.110 366 E HA -0.177 4.170 4.350 -0.005 0.000 0.193 366 E C 1.983 178.861 176.600 0.463 0.000 0.988 366 E CA 1.445 58.081 56.400 0.394 0.000 0.804 366 E CB -0.130 29.718 29.700 0.246 0.000 0.745 366 E HN 0.381 nan 8.360 nan 0.000 0.458 367 I N 0.692 121.463 120.570 0.335 0.000 2.193 367 I HA -0.240 3.927 4.170 -0.005 0.000 0.240 367 I C 2.336 178.593 176.117 0.233 0.000 1.084 367 I CA 0.940 62.434 61.300 0.324 0.000 1.365 367 I CB -0.151 38.048 38.000 0.331 0.000 1.064 367 I HN 0.076 nan 8.210 nan 0.000 0.410 368 I N 0.084 120.767 120.570 0.188 0.000 2.179 368 I HA -0.253 3.914 4.170 -0.005 0.000 0.242 368 I C 2.548 178.741 176.117 0.128 0.000 1.088 368 I CA 1.187 62.566 61.300 0.131 0.000 1.357 368 I CB -0.327 37.738 38.000 0.108 0.000 1.051 368 I HN 0.021 nan 8.210 nan 0.000 0.409 369 V N 0.507 120.520 119.914 0.165 0.000 2.287 369 V HA -0.312 3.805 4.120 -0.005 0.000 0.248 369 V C 2.514 178.674 176.094 0.110 0.000 1.053 369 V CA 2.526 64.918 62.300 0.153 0.000 1.027 369 V CB -0.974 30.987 31.823 0.229 0.000 0.646 369 V HN 0.473 nan 8.190 nan 0.000 0.447 370 T N 0.429 115.057 114.554 0.123 0.000 2.684 370 T HA -0.168 4.179 4.350 -0.005 0.000 0.267 370 T C 1.871 176.602 174.700 0.050 0.000 1.036 370 T CA 1.760 63.888 62.100 0.048 0.000 1.148 370 T CB -0.327 68.626 68.868 0.142 0.000 0.863 370 T HN 0.294 nan 8.240 nan 0.000 0.436 371 L N 0.456 121.718 121.223 0.065 0.000 1.989 371 L HA -0.145 4.192 4.340 -0.005 0.000 0.211 371 L C 2.687 179.601 176.870 0.073 0.000 1.071 371 L CA 1.393 56.263 54.840 0.050 0.000 0.749 371 L CB -0.522 41.559 42.059 0.036 0.000 0.890 371 L HN 0.169 nan 8.230 nan 0.000 0.431 372 K N 0.325 120.763 120.400 0.063 0.000 2.009 372 K HA -0.191 4.126 4.320 -0.005 0.000 0.210 372 K C 2.041 178.670 176.600 0.047 0.000 1.049 372 K CA 1.518 57.836 56.287 0.053 0.000 0.929 372 K CB -0.122 32.408 32.500 0.050 0.000 0.714 372 K HN 0.147 nan 8.250 nan 0.000 0.440 373 E N -0.571 119.656 120.200 0.044 0.000 2.150 373 E HA -0.182 4.165 4.350 -0.005 0.000 0.193 373 E C 1.822 178.412 176.600 -0.016 0.000 0.985 373 E CA 0.733 57.138 56.400 0.010 0.000 0.814 373 E CB -0.378 29.325 29.700 0.005 0.000 0.752 373 E HN 0.502 nan 8.360 nan 0.000 0.466 374 W N 1.346 122.533 121.300 -0.189 0.000 2.441 374 W HA -0.035 4.622 4.660 -0.005 0.000 0.302 374 W C 1.806 178.209 176.519 -0.195 0.000 1.191 374 W CA 0.729 57.909 57.345 -0.275 0.000 1.327 374 W CB -0.404 28.824 29.460 -0.387 0.000 1.128 374 W HN -0.002 nan 8.180 nan 0.000 0.522 375 L N 0.352 121.723 121.223 0.246 0.000 2.265 375 L HA -0.191 4.145 4.340 -0.005 0.000 0.215 375 L C 2.492 179.392 176.870 0.049 0.000 1.117 375 L CA 1.685 56.643 54.840 0.196 0.000 0.782 375 L CB -1.063 41.098 42.059 0.170 0.000 0.914 375 L HN -0.059 nan 8.230 nan 0.000 0.441 376 T N -0.937 113.616 114.554 -0.002 0.000 3.055 376 T HA -0.025 4.322 4.350 -0.005 0.000 0.265 376 T C 1.929 176.577 174.700 -0.087 0.000 1.111 376 T CA 0.949 63.030 62.100 -0.031 0.000 1.118 376 T CB 0.127 68.983 68.868 -0.021 0.000 0.909 376 T HN 0.317 nan 8.240 nan 0.000 0.501 377 R N -0.451 119.941 120.500 -0.179 0.000 2.225 377 R HA 0.408 4.744 4.340 -0.005 0.000 0.194 377 R C 0.363 176.457 176.300 -0.343 0.000 0.949 377 R CA 0.390 56.338 56.100 -0.253 0.000 1.088 377 R CB 0.732 30.836 30.300 -0.326 0.000 1.106 377 R HN 0.308 nan 8.270 nan 0.000 0.566 378 I N 3.063 123.334 120.570 -0.498 0.000 2.833 378 I HA 0.188 4.355 4.170 -0.005 0.000 0.286 378 I C -1.902 174.166 176.117 -0.082 0.000 1.287 378 I CA -1.587 59.390 61.300 -0.539 0.000 1.046 378 I CB 1.836 39.059 38.000 -1.295 0.000 1.612 378 I HN -0.095 nan 8.210 nan 0.000 0.585 379 P HA -0.120 nan 4.420 nan 0.000 0.218 379 P C 0.246 177.637 177.300 0.153 0.000 1.149 379 P CA 1.261 64.438 63.100 0.129 0.000 0.817 379 P CB 0.299 32.029 31.700 0.050 0.000 0.785 380 D N -0.326 120.155 120.400 0.136 0.000 2.381 380 D HA 0.452 5.089 4.640 -0.005 0.000 0.235 380 D C -0.823 175.633 176.300 0.260 0.000 1.068 380 D CA -0.743 53.309 54.000 0.086 0.000 0.832 380 D CB 0.404 41.243 40.800 0.066 0.000 1.101 380 D HN -0.023 nan 8.370 nan 0.000 0.515 381 F N 0.968 120.989 119.950 0.118 0.000 2.741 381 F HA 0.726 5.250 4.527 -0.005 0.000 0.311 381 F C -1.170 174.713 175.800 0.140 0.000 1.149 381 F CA -1.003 57.131 58.000 0.223 0.000 0.930 381 F CB 0.771 39.931 39.000 0.267 0.000 1.312 381 F HN 0.216 nan 8.300 nan 0.000 0.450 382 S N 0.653 116.551 115.700 0.331 0.000 2.705 382 S HA 0.740 5.207 4.470 -0.005 0.000 0.280 382 S C -1.150 173.578 174.600 0.213 0.000 1.174 382 S CA -1.087 57.196 58.200 0.138 0.000 0.823 382 S CB 1.496 64.723 63.200 0.045 0.000 1.162 382 S HN 0.834 nan 8.310 nan 0.000 0.487 383 I N 1.926 122.560 120.570 0.106 0.000 2.496 383 I HA 0.371 4.538 4.170 -0.005 0.000 0.285 383 I C 1.044 177.210 176.117 0.080 0.000 1.080 383 I CA -0.441 60.916 61.300 0.096 0.000 1.404 383 I CB 0.826 38.852 38.000 0.044 0.000 1.403 383 I HN 0.913 nan 8.210 nan 0.000 0.539 384 A N 8.685 131.555 122.820 0.083 0.000 2.566 384 A HA 0.181 4.498 4.320 -0.005 0.000 0.245 384 A C -2.187 175.417 177.584 0.033 0.000 1.056 384 A CA -0.748 51.320 52.037 0.051 0.000 0.757 384 A CB -0.837 18.188 19.000 0.041 0.000 0.979 384 A HN 0.448 nan 8.150 nan 0.000 0.508 385 P HA 0.210 nan 4.420 nan 0.000 0.266 385 P C 1.246 178.554 177.300 0.012 0.000 1.193 385 P CA 1.739 64.848 63.100 0.015 0.000 0.770 385 P CB 0.526 32.231 31.700 0.010 0.000 0.836 386 G N 1.322 110.128 108.800 0.010 0.000 2.267 386 G HA2 -0.272 3.684 3.960 -0.005 0.000 0.257 386 G HA3 -0.272 3.684 3.960 -0.005 0.000 0.257 386 G C 0.486 175.393 174.900 0.011 0.000 0.998 386 G CA 0.082 45.188 45.100 0.009 0.000 0.620 386 G HN 0.877 nan 8.290 nan 0.000 0.529 387 A N 0.573 123.402 122.820 0.015 0.000 2.524 387 A HA 0.539 4.856 4.320 -0.005 0.000 0.250 387 A C 0.647 178.239 177.584 0.013 0.000 1.078 387 A CA 0.570 52.618 52.037 0.019 0.000 0.761 387 A CB 0.251 19.268 19.000 0.028 0.000 1.012 387 A HN 0.331 nan 8.150 nan 0.000 0.500 388 Q N 2.950 122.757 119.800 0.012 0.000 2.730 388 Q HA 0.189 4.526 4.340 -0.005 0.000 0.244 388 Q C -0.226 175.776 176.000 0.003 0.000 1.176 388 Q CA -0.435 55.371 55.803 0.005 0.000 1.024 388 Q CB 0.349 29.090 28.738 0.005 0.000 1.215 388 Q HN 0.663 nan 8.270 nan 0.000 0.542 389 I N 1.856 122.427 120.570 0.000 0.000 2.919 389 I HA -0.163 4.004 4.170 -0.005 0.000 0.299 389 I C 0.765 176.867 176.117 -0.026 0.000 1.221 389 I CA 1.030 62.332 61.300 0.005 0.000 1.424 389 I CB -0.335 37.672 38.000 0.010 0.000 1.358 389 I HN 0.302 nan 8.210 nan 0.000 0.551 390 Q N 5.959 125.778 119.800 0.033 0.000 2.312 390 Q HA 0.425 4.762 4.340 -0.005 0.000 0.263 390 Q C -0.700 175.423 176.000 0.205 0.000 0.995 390 Q CA -0.617 55.218 55.803 0.053 0.000 0.853 390 Q CB 2.305 31.079 28.738 0.059 0.000 1.300 390 Q HN 0.598 nan 8.270 nan 0.000 0.448 391 H N 0.627 119.753 119.070 0.092 0.000 2.544 391 H HA 0.485 5.038 4.556 -0.006 0.000 0.342 391 H C -0.696 174.711 175.328 0.132 0.000 1.185 391 H CA -0.881 55.246 56.048 0.132 0.000 1.264 391 H CB 1.856 31.769 29.762 0.252 0.000 1.607 391 H HN 0.239 nan 8.280 nan 0.000 0.550 392 K N 0.983 121.542 120.400 0.264 0.000 2.427 392 K HA 0.318 4.635 4.320 -0.005 0.000 0.252 392 K C -1.262 175.481 176.600 0.239 0.000 0.931 392 K CA -0.523 55.886 56.287 0.204 0.000 0.793 392 K CB 2.230 34.814 32.500 0.139 0.000 1.211 392 K HN 0.461 nan 8.250 nan 0.000 0.426 393 S N 1.535 117.379 115.700 0.241 0.000 2.549 393 S HA 0.920 5.387 4.470 -0.005 0.000 0.297 393 S C -0.460 174.279 174.600 0.231 0.000 1.115 393 S CA 0.131 58.503 58.200 0.287 0.000 1.059 393 S CB 1.423 64.822 63.200 0.333 0.000 1.046 393 S HN 0.895 nan 8.310 nan 0.000 0.506 394 G N 2.553 111.459 108.800 0.178 0.000 2.364 394 G HA2 0.229 4.186 3.960 -0.005 0.000 0.286 394 G HA3 0.229 4.186 3.960 -0.005 0.000 0.286 394 G C 0.184 175.022 174.900 -0.103 0.000 1.241 394 G CA -0.424 44.678 45.100 0.004 0.000 0.887 394 G HN 0.537 nan 8.290 nan 0.000 0.484 395 I N -0.031 120.432 120.570 -0.178 0.000 2.286 395 I HA 0.015 4.181 4.170 -0.005 0.000 0.248 395 I C 0.849 176.840 176.117 -0.210 0.000 1.115 395 I CA 1.493 62.582 61.300 -0.353 0.000 1.392 395 I CB -0.678 36.923 38.000 -0.665 0.000 1.065 395 I HN 0.034 nan 8.210 nan 0.000 0.418 396 V N 0.870 120.745 119.914 -0.065 0.000 2.482 396 V HA 0.277 4.394 4.120 -0.005 0.000 0.295 396 V C 0.085 176.212 176.094 0.054 0.000 1.026 396 V CA -0.595 61.695 62.300 -0.015 0.000 0.856 396 V CB 1.724 33.575 31.823 0.046 0.000 1.001 396 V HN 0.079 nan 8.190 nan 0.000 0.424 397 S N 2.627 118.363 115.700 0.061 0.000 2.617 397 S HA 0.860 5.327 4.470 -0.005 0.000 0.269 397 S C 0.480 175.264 174.600 0.306 0.000 1.292 397 S CA 0.074 58.384 58.200 0.183 0.000 1.010 397 S CB 1.725 65.018 63.200 0.155 0.000 0.944 397 S HN 1.129 nan 8.310 nan 0.000 0.536 398 G N -0.208 108.721 108.800 0.215 0.000 2.721 398 G HA2 0.588 4.545 3.960 -0.005 0.000 0.296 398 G HA3 0.588 4.545 3.960 -0.005 0.000 0.296 398 G C -1.749 172.939 174.900 -0.353 0.000 1.383 398 G CA -0.539 44.488 45.100 -0.122 0.000 0.788 398 G HN 0.620 nan 8.290 nan 0.000 0.500 399 V N 0.809 120.428 119.914 -0.493 0.000 2.459 399 V HA 0.280 4.397 4.120 -0.005 0.000 0.295 399 V C 0.974 177.013 176.094 -0.091 0.000 1.029 399 V CA -0.428 61.696 62.300 -0.294 0.000 0.874 399 V CB 1.331 32.907 31.823 -0.412 0.000 0.985 399 V HN 0.888 nan 8.190 nan 0.000 0.438 400 Q N 2.884 122.691 119.800 0.012 0.000 1.990 400 Q HA 0.111 4.448 4.340 -0.005 0.000 0.200 400 Q C 0.672 176.685 176.000 0.021 0.000 0.980 400 Q CA 1.694 57.513 55.803 0.026 0.000 0.832 400 Q CB 0.172 28.941 28.738 0.052 0.000 0.897 400 Q HN 0.886 nan 8.270 nan 0.000 0.427 401 A N -0.009 122.830 122.820 0.032 0.000 2.549 401 A HA 0.621 4.938 4.320 -0.005 0.000 0.297 401 A C -1.588 176.028 177.584 0.053 0.000 1.061 401 A CA -0.571 51.491 52.037 0.041 0.000 0.690 401 A CB 1.604 20.629 19.000 0.043 0.000 1.287 401 A HN 0.228 nan 8.150 nan 0.000 0.402 402 L N 2.603 123.874 121.223 0.080 0.000 2.490 402 L HA 0.364 4.701 4.340 -0.005 0.000 0.256 402 L C -2.833 174.116 176.870 0.131 0.000 1.089 402 L CA -1.807 53.092 54.840 0.098 0.000 0.916 402 L CB 2.221 44.353 42.059 0.122 0.000 1.188 402 L HN 0.384 nan 8.230 nan 0.000 0.476 403 P HA 0.270 nan 4.420 nan 0.000 0.280 403 P C -0.851 176.531 177.300 0.137 0.000 1.300 403 P CA 0.194 63.358 63.100 0.108 0.000 0.785 403 P CB 0.748 32.488 31.700 0.068 0.000 0.874 404 L N 3.910 125.255 121.223 0.204 0.000 2.333 404 L HA 0.779 5.116 4.340 -0.005 0.000 0.269 404 L C 0.258 177.283 176.870 0.258 0.000 1.010 404 L CA -1.194 53.829 54.840 0.305 0.000 0.818 404 L CB 2.056 44.378 42.059 0.438 0.000 1.306 404 L HN 0.142 nan 8.230 nan 0.000 0.430 405 V N -1.185 118.912 119.914 0.305 0.000 3.007 405 V HA 0.819 4.936 4.120 -0.005 0.000 0.311 405 V C -1.749 174.556 176.094 0.351 0.000 1.120 405 V CA -0.608 61.730 62.300 0.064 0.000 0.980 405 V CB 1.833 33.653 31.823 -0.006 0.000 1.033 405 V HN 0.976 nan 8.190 nan 0.000 0.429 406 W N 0.727 122.096 121.300 0.114 0.000 3.153 406 W HA 0.700 5.357 4.660 -0.005 0.000 0.316 406 W C -1.679 174.876 176.519 0.060 0.000 1.255 406 W CA -0.709 56.704 57.345 0.114 0.000 1.192 406 W CB 0.819 30.380 29.460 0.169 0.000 1.400 406 W HN 0.718 nan 8.180 nan 0.000 0.568 407 D N 2.686 123.246 120.400 0.267 0.000 2.336 407 D HA 0.299 4.936 4.640 -0.005 0.000 0.249 407 D C -1.409 175.029 176.300 0.230 0.000 1.213 407 D CA -2.276 51.812 54.000 0.147 0.000 0.870 407 D CB 1.755 42.621 40.800 0.110 0.000 1.076 407 D HN 0.091 nan 8.370 nan 0.000 0.483 408 P HA -0.148 nan 4.420 nan 0.000 0.217 408 P C 0.883 178.258 177.300 0.125 0.000 1.148 408 P CA 1.409 64.620 63.100 0.184 0.000 0.828 408 P CB 0.194 31.943 31.700 0.081 0.000 0.783 409 A N -0.708 122.165 122.820 0.088 0.000 2.121 409 A HA -0.121 4.196 4.320 -0.005 0.000 0.218 409 A C 1.942 179.562 177.584 0.060 0.000 1.154 409 A CA 1.951 54.024 52.037 0.059 0.000 0.679 409 A CB -1.587 17.438 19.000 0.043 0.000 0.795 409 A HN 0.346 nan 8.150 nan 0.000 0.458 410 T N -2.270 112.336 114.554 0.087 0.000 3.163 410 T HA 0.206 4.553 4.350 -0.005 0.000 0.252 410 T C 0.750 175.477 174.700 0.045 0.000 1.056 410 T CA 0.578 62.719 62.100 0.068 0.000 0.947 410 T CB -0.845 68.076 68.868 0.088 0.000 1.016 410 T HN 0.499 nan 8.240 nan 0.000 0.554 411 T N -0.683 113.896 114.554 0.040 0.000 2.884 411 T HA 0.696 5.043 4.350 -0.005 0.000 0.277 411 T C -0.780 173.901 174.700 -0.031 0.000 0.976 411 T CA -0.888 61.197 62.100 -0.025 0.000 0.956 411 T CB 1.620 70.470 68.868 -0.030 0.000 1.113 411 T HN 0.252 nan 8.240 nan 0.000 0.554 412 K N -0.208 120.152 120.400 -0.068 0.000 2.550 412 K HA 0.615 4.932 4.320 -0.005 0.000 0.252 412 K C -1.235 175.325 176.600 -0.068 0.000 0.943 412 K CA -0.820 55.436 56.287 -0.052 0.000 0.806 412 K CB 2.380 34.854 32.500 -0.042 0.000 1.289 412 K HN 0.879 nan 8.250 nan 0.000 0.435 413 A N 2.532 125.324 122.820 -0.046 0.000 2.328 413 A HA 0.639 4.956 4.320 -0.005 0.000 0.284 413 A C -0.282 177.279 177.584 -0.039 0.000 1.160 413 A CA -0.281 51.728 52.037 -0.047 0.000 0.818 413 A CB 0.411 19.394 19.000 -0.029 0.000 1.087 413 A HN 0.380 nan 8.150 nan 0.000 0.504 414 V N 0.000 119.888 119.914 -0.044 0.000 2.409 414 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.030 0.000 1.235 414 V CB 0.000 31.802 31.823 -0.035 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556